| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 71 | Confident | 92.7 | Very high | 119 Ų | 119 | 30.1 Ų | 30.1 | 59% | 0.586 | 15% | 0.152 | S | C | * | . | 0 | 125.1 | 0 | -39.3 | -172.8 | 77 | 0 | 0 | 109.9 | E52 E54 | M1-E52 HydrophobicContact CB-CB 4.4Å; M1-E52 HydrophobicContact CE-CB 3.74Å; M1-E52 HydrophobicContact SD-CB 3.98Å; M1-E52 HydrophobicContact SD-CG 4.44Å; M1-E54 HydrophobicContact CB-CG 4Å; M1-E54 HydrophobicContact CE-CG 3.86Å; M1-E54 HydrophobicContact CG-CG 3.58Å; M1-E54 WeakPolarHBondContact CG-OE1 3.23Å; M1-E54 PolarHBondContact N-OE1 3.12Å; M1-E54 HydrophobicContact SD-CG 4.49Å | |||
| 2 | P | 85.9 | Confident | 93 | Very high | 36 Ų | 36 | 39.9 Ų | 39.9 | 23% | 0.234 | 19% | 0.186 | C | C | . | . | trans | -69.3 | 155.2 | 159.1 | 32 | -36.1 | 0 | 0 | 0 | 110.7 | T53 M56 F127 | P2-T53 VanDerWaalsContact CD-O 3.23Å; P2-T53 WeakPolarHBondContact CD-O 3.19Å; P2-T53 VanDerWaalsContact CG-O 3.28Å; P2-T53 WeakPolarHBondContact CG-O 3.39Å; P2-M56 HydrophobicContact CG-CE 4.17Å; P2-F127 HydrophobicContact CB-CD1 3.96Å; P2-F127 HydrophobicContact CB-CE1 4.45Å; P2-F127 HydrophobicContact CG-CD1 4.26Å; P2-F127 HydrophobicContact CG-CE1 4.25Å | ||
| 3 | L | 92.3 | Very high | 93.2 | Very high | 54 Ų | 54 | 37.6 Ų | 37.6 | 28% | 0.283 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 126.4 | 173.8 | -65.1 | 169 | 0 | 0 | 0 | 109.1 | I50 E52 F127 E128 | L3-I50 HydrophobicContact CB-CG2 4.08Å; L3-I50 HydrophobicContact CD2-CG2 3.97Å; L3-I50 HydrophobicContact CG-CG2 4.47Å; L3-E52 HydrophobicContact CD2-CG 3.53Å; L3-F127 CarbonylContact O-C 3.47Å; L3-F127 VanDerWaalsContact O-CA 3.32Å; L3-F127 WeakPolarHBondContact O-CA 3.35Å; L3-E128 HydrophobicContact CB-CB 4.11Å; L3-E128 PolarHBondContact O-N 3.48Å |
| 4 | L | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 111.7 | 172.8 | -179.3 | 67.5 | 0 | 0 | 0 | 109.2 | I6 L28 I50 F51 L60 L82 I85 V125 F127 | L4-I6 HydrophobicContact CD2-CD1 3.76Å; L4-I6 HydrophobicContact CG-CD1 3.78Å; L4-I6 HydrophobicContact CG-CG1 4.29Å; L4-L28 HydrophobicContact CD2-CD1 4.28Å; L4-L28 HydrophobicContact CD2-CD2 4.07Å; L4-I50 CarbonylContact O-C 3.48Å; L4-I50 WeakPolarHBondContact O-CA 3.48Å; L4-F51 PolarHBondContact N-O 3.36Å; L4-F51 PolarHBondContact O-N 3.33Å; L4-L60 HydrophobicContact CD2-CD1 4.14Å; L4-L82 HydrophobicContact CD2-CD2 3.82Å; L4-I85 HydrophobicContact CD1-CD1 3.77Å; L4-I85 HydrophobicContact CD1-CG2 3.92Å; L4-I85 HydrophobicContact CD2-CD1 4.48Å; L4-V125 HydrophobicContact CD1-CG1 4.06Å; L4-F127 HydrophobicContact CB-CD1 3.97Å; L4-F127 HydrophobicContact CB-CE1 3.69Å; L4-F127 HydrophobicContact CB-CZ 4.42Å; L4-F127 HydrophobicContact CD1-CD1 4.02Å; L4-F127 HydrophobicContact CD1-CD2 4.27Å; L4-F127 HydrophobicContact CD1-CE1 3.86Å; L4-F127 HydrophobicContact CD1-CE2 4.11Å; L4-F127 HydrophobicContact CD1-CG 4.23Å; L4-F127 HydrophobicContact CD1-CZ 3.9Å; L4-F127 HydrophobicContact CG-CE1 4.26Å |
| 5 | C | 95.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.007 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 129 | 177 | -57.7 | 0 | 0 | 0 | 0 | 110.2 | F49 V125 R126 | C5-F49 WeakPolarHBondContact CA-O 3.46Å; C5-V125 WeakPolarHBondContact O-CA 3.45Å; C5-R126 HydrophobicContact CB-CG 4.11Å; C5-R126 VanDerWaalsContact CB-NH1 3.27Å; C5-R126 PolarHBondContact N-O 2.99Å; C5-R126 PolarHBondContact O-N 2.97Å; C5-R126 PolarHBondContact SG-NH1 3.41Å |
| 6 | I | 96.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 121.7 | 179.9 | -65 | 129.5 | 0 | 0 | 0 | 109 | L4 I8 V26 E48 F49 F51 L60 T124 V125 | L4-I6 HydrophobicContact CD2-CD1 3.76Å; L4-I6 HydrophobicContact CG-CD1 3.78Å; L4-I6 HydrophobicContact CG-CG1 4.29Å; I6-I8 HydrophobicContact CG2-CD1 3.85Å; I6-I8 HydrophobicContact CG2-CG1 4.35Å; I6-V26 HydrophobicContact CD1-CG1 4.14Å; I6-V26 HydrophobicContact CG2-CG1 4.45Å; I6-E48 CarbonylContact O-C 3.59Å; I6-E48 WeakPolarHBondContact O-CA 3.42Å; I6-F49 PolarHBondContact N-O 3.35Å; I6-F49 PolarHBondContact O-N 3.36Å; I6-F51 HydrophobicContact CD1-CD2 3.66Å; I6-F51 HydrophobicContact CD1-CE2 3.68Å; I6-L60 HydrophobicContact CD1-CD1 3.6Å; I6-L60 HydrophobicContact CD1-CD2 3.46Å; I6-L60 VanDerWaalsContact CD1-CD2 3.46Å; I6-L60 HydrophobicContact CD1-CG 4.18Å; I6-L60 HydrophobicContact CG1-CD2 3.61Å; I6-T124 CarbonylContact C-O 3.49Å; I6-T124 WeakPolarHBondContact CA-O 3.44Å; I6-V125 HydrophobicContact CG1-CB 4.46Å; I6-V125 HydrophobicContact CG1-CG1 3.9Å; I6-V125 HydrophobicContact CG1-CG2 4.19Å; I6-V125 HydrophobicContact CG2-CG2 4.31Å |
| 7 | K | 96.6 | Very high | 91 | Very high | 56 Ų | 56 | 50 Ų | 50 | 24% | 0.243 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 116.3 | 179.2 | -158.5 | 179.1 | -161.5 | 169.3 | 0 | 109.5 | I9 E48 D91 A123 T124 | K7-I9 HydrophobicContact CG-CG1 4.4Å; K7-E48 HydrophobicContact CB-CG 4.45Å; K7-E48 HydrophobicContact CG-CB 4.24Å; K7-D91 IonicContact NZ-OD2 3.62Å; K7-D91 PolarHBondContact NZ-OD2 2.71Å; K7-A123 CarbonylContact O-C 3.55Å; K7-A123 WeakPolarHBondContact O-CA 3.42Å; K7-A123 WeakPolarHBondContact O-CB 3.38Å; K7-T124 WeakPolarHBondContact CB-OG1 3.48Å; K7-T124 PolarHBondContact N-O 2.95Å; K7-T124 PolarHBondContact O-N 3.43Å |
| 8 | I | 97.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 109 | 177.7 | -56.8 | -58.1 | 0 | 0 | 0 | 108 | I6 I24 V26 T35 W45 N46 E47 F49 A123 | I6-I8 HydrophobicContact CG2-CD1 3.85Å; I6-I8 HydrophobicContact CG2-CG1 4.35Å; I8-I24 HydrophobicContact CD1-CG2 4.22Å; I8-I24 HydrophobicContact CG1-CG2 4.31Å; I8-I24 HydrophobicContact CG2-CB 4.24Å; I8-I24 HydrophobicContact CG2-CD1 3.73Å; I8-I24 HydrophobicContact CG2-CG2 4.39Å; I8-V26 HydrophobicContact CD1-CG2 4.25Å; I8-V26 HydrophobicContact CG1-CG2 4.24Å; I8-T35 HydrophobicContact CB-CG2 4.04Å; I8-T35 HydrophobicContact CG1-CG2 4.33Å; I8-T35 HydrophobicContact CG2-CG2 4.02Å; I8-W45 HydrophobicContact CG2-CD2 4.25Å; I8-W45 HydrophobicContact CG2-CE3 3.71Å; I8-W45 HydrophobicContact CG2-CZ3 4.27Å; I8-N46 VanDerWaalsContact O-CA 3.3Å; I8-N46 WeakPolarHBondContact O-CA 3.42Å; I8-N46 PolarHBondContact O-N 3.16Å; I8-E47 PolarHBondContact N-O 3.13Å; I8-E47 PolarHBondContact O-N 3.41Å; I8-E47 VanDerWaalsContact O-N 3.15Å; I8-F49 HydrophobicContact CG1-CD2 4.33Å; I8-F49 HydrophobicContact CG1-CE2 4.01Å; I8-A123 HydrophobicContact CD1-CB 4.08Å |
| 9 | I | 96.7 | Very high | 90.2 | Very high | 29 Ų | 29 | 54.3 Ų | 54.3 | 15% | 0.149 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -63.9 | -170.7 | -60.2 | 175.4 | 0 | 0 | 0 | 109.6 | K7 W45 N46 L122 T124 | K7-I9 HydrophobicContact CG-CG1 4.4Å; I9-W45 PolarHBondContact O-N 2.68Å; I9-N46 PolarHBondContact O-N 3.33Å; I9-L122 HydrophobicContact CB-CB 4.37Å; I9-L122 HydrophobicContact CB-CD2 4.35Å; I9-L122 HydrophobicContact CB-CG 4.23Å; I9-L122 WeakPolarHBondContact CB-O 3.33Å; I9-L122 HydrophobicContact CD1-CD2 4.39Å; I9-L122 HydrophobicContact CD1-CG 4.21Å; I9-L122 HydrophobicContact CG2-CD2 4.05Å; I9-L122 HydrophobicContact CG2-CG 4.48Å; I9-L122 PolarHBondContact N-O 3.47Å; I9-T124 HydrophobicContact CD1-CG2 4.45Å |
| 10 | E | 97 | Very high | 90.3 | Very high | 36 Ų | 36 | 52.8 Ų | 52.8 | 17% | 0.168 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 169.9 | -177.4 | 63.3 | 178.2 | -129.7 | 0 | 0 | 112.6 | P43 K44 W96 C121 L122 | E10-P43 CarbonylContact C-O 3.48Å; E10-P43 WeakPolarHBondContact CA-O 3.42Å; E10-P43 WeakPolarHBondContact CB-O 3.3Å; E10-K44 HydrophobicContact CB-CB 4.33Å; E10-K44 HydrophobicContact CB-CG 3.88Å; E10-K44 IonicContact OE1-NZ 3.27Å; E10-K44 IonicContact OE2-NZ 2.62Å; E10-K44 PolarHBondContact OE2-NZ 3.06Å; E10-W96 HydrophobicContact CG-CH2 3.81Å; E10-W96 HydrophobicContact CG-CZ2 4.41Å; E10-W96 WeakPolarHBondContact OE1-CH2 3.41Å; E10-C121 CarbonylContact O-C 3.5Å; E10-C121 VanDerWaalsContact O-CA 3.23Å; E10-C121 WeakPolarHBondContact O-CA 3.49Å; E10-C121 WeakPolarHBondContact O-CB 3.28Å; E10-L122 HydrophobicContact CG-CB 3.92Å; E10-L122 HydrophobicContact CG-CD2 4.26Å; E10-L122 PolarHBondContact O-N 3.36Å |
| 11 | A | 97.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 161.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113 | L13 A42 P43 W45 S120 C121 | A11-L13 HydrophobicContact CB-CD2 3.97Å; A11-L13 HydrophobicContact CB-CG 4.48Å; A11-A42 WeakPolarHBondContact O-CA 3.46Å; A11-P43 HydrophobicContact CB-CG 4.01Å; A11-P43 PolarHBondContact N-O 3.45Å; A11-P43 WeakPolarHBondContact O-CD 3.42Å; A11-W45 HydrophobicContact CB-CH2 3.92Å; A11-W45 HydrophobicContact CB-CZ3 3.67Å; A11-S120 CarbonylContact C-O 3.57Å; A11-S120 WeakPolarHBondContact CA-O 3.36Å; A11-S120 WeakPolarHBondContact CB-O 2.92Å; A11-C121 HydrophobicContact CB-CB 3.94Å |
| 12 | R | 95.9 | Very high | 91.7 | Very high | 148 Ų | 148 | 46.9 Ų | 46.9 | 56% | 0.558 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 118.1 | 172.5 | -67.5 | 172.5 | -177.4 | -170 | 2.2 | 108 | W96 H119 S120 | R12-W96 HydrophobicContact CB-CZ3 4.27Å; R12-W96 HydrophobicContact CG-CH2 3.66Å; R12-W96 HydrophobicContact CG-CZ3 3.69Å; R12-H119 WeakPolarHBondContact O-CA 3.47Å; R12-S120 PolarHBondContact N-O 2.88Å; R12-S120 PolarHBondContact O-N 2.8Å |
| 13 | L | 95.6 | Very high | 92.3 | Very high | 10 Ų | 10 | 47 Ų | 47 | 5% | 0.052 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 109.5 | -171.8 | -48.7 | -177.4 | 0 | 0 | 0 | 110.2 | A11 S15 T22 T41 P43 L64 H119 | A11-L13 HydrophobicContact CB-CD2 3.97Å; A11-L13 HydrophobicContact CB-CG 4.48Å; L13-S15 PolarHBondContact O-N 3.17Å; L13-T22 HydrophobicContact CD1-CG2 3.78Å; L13-T41 WeakPolarHBondContact CB-O 3.31Å; L13-T41 PolarHBondContact N-O 3.02Å; L13-T41 WeakPolarHBondContact O-CB 3.37Å; L13-P43 HydrophobicContact CD1-CG 4.13Å; L13-L64 HydrophobicContact CD2-CD1 4.31Å; L13-L64 HydrophobicContact CD2-CD2 3.37Å; L13-L64 HydrophobicContact CD2-CG 4.47Å; L13-H119 HydrophobicContact CD2-CB 4Å |
| 14 | E | 89.8 | Confident | 92.6 | Very high | 123 Ų | 123 | 44.4 Ų | 44.4 | 58% | 0.575 | 24% | 0.242 | S | C | * | . | trans | -69.2 | 102.1 | 170.8 | -167.4 | 178.6 | 122.4 | 0 | 0 | 110.6 | K118 H119 | E14-K118 HydrophobicContact CB-CB 3.82Å; E14-K118 HydrophobicContact CB-CD 4.45Å; E14-K118 WeakPolarHBondContact CB-O 3.39Å; E14-K118 HydrophobicContact CG-CD 4.43Å; E14-K118 PolarHBondContact N-O 3.44Å; E14-K118 VanDerWaalsContact OE1-CD 3.24Å; E14-K118 WeakPolarHBondContact OE1-CD 3.5Å; E14-K118 IonicContact OE1-NZ 2.64Å; E14-K118 PolarHBondContact OE1-NZ 2.84Å; E14-K118 WeakPolarHBondContact OE2-CD 3.16Å; E14-K118 IonicContact OE2-NZ 3.69Å; E14-K118 PolarHBondContact OE2-NZ 3.2Å; E14-H119 PolarHBondContact O-CE1 3.01Å | ||
| 15 | S | 83.3 | Confident | 92.7 | Very high | 48 Ų | 48 | 44.6 Ų | 44.6 | 34% | 0.336 | 24% | 0.243 | S | C | . | . | trans | -156.6 | 150.5 | 172 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | L13 D17 L20 T41 | L13-S15 PolarHBondContact O-N 3.17Å; S15-D17 PolarHBondContact O-N 3.24Å; S15-D17 PolarHBondContact OG-N 3.02Å; S15-D17 VanDerWaalsContact OG-N 3.09Å; S15-L20 WeakPolarHBondContact OG-CD1 3.39Å; S15-T41 WeakPolarHBondContact O-CG2 3.29Å | ||
| 16 | S | 80.3 | Confident | 92.8 | Very high | 109 Ų | 109 | 44.5 Ų | 44.5 | 76% | 0.762 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -64.4 | -23.8 | 167.3 | 44.8 | 0 | 0 | 0 | 0 | 113.1 | S18 | S16-S18 PolarHBondContact O-N 2.99Å; S16-S18 VanDerWaalsContact O-N 3.12Å |
| 17 | D | 82.6 | Confident | 92.8 | Very high | 81 Ų | 81 | 47.8 Ų | 47.8 | 43% | 0.433 | 26% | 0.257 | S | S | . | . | trans | -93.2 | 84.4 | -157.3 | -68.7 | 10 | 0 | 0 | 0 | 111.3 | S15 S19 L20 | S15-D17 PolarHBondContact O-N 3.24Å; S15-D17 PolarHBondContact OG-N 3.02Å; S15-D17 VanDerWaalsContact OG-N 3.09Å; D17-S19 PolarHBondContact O-N 3.21Å; D17-L20 HydrophobicContact CB-CD1 4.24Å; D17-L20 HydrophobicContact CB-CG 3.87Å; D17-L20 WeakPolarHBondContact O-CB 3.22Å; D17-L20 VanDerWaalsContact O-CG 3.24Å; D17-L20 WeakPolarHBondContact O-CG 3.43Å; D17-L20 PolarHBondContact O-N 3.09Å | ||
| 18 | S | 81.3 | Confident | 92.7 | Very high | 96 Ų | 96 | 45.4 Ų | 45.4 | 67% | 0.671 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -14.9 | 172.9 | 62.7 | 0 | 0 | 0 | 0 | 114.4 | S16 | S16-S18 PolarHBondContact O-N 2.99Å; S16-S18 VanDerWaalsContact O-N 3.12Å |
| 19 | S | 85.4 | Confident | 92.2 | Very high | 85 Ų | 85 | 51.3 Ų | 51.3 | 59% | 0.594 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -4.7 | 175.3 | 71.6 | 0 | 0 | 0 | 0 | 114.9 | D17 N21 | D17-S19 PolarHBondContact O-N 3.21Å; S19-N21 PolarHBondContact O-N 2.9Å |
| 20 | L | 90.9 | Very high | 91.8 | Very high | 25 Ų | 25 | 55.1 Ų | 55.1 | 13% | 0.131 | 29% | 0.286 | C | S | . | . | trans | -50.6 | 130.9 | 175.1 | -81.4 | 169.7 | 0 | 0 | 0 | 110.9 | S15 D17 T22 K39 G40 S66 | S15-L20 WeakPolarHBondContact OG-CD1 3.39Å; D17-L20 HydrophobicContact CB-CD1 4.24Å; D17-L20 HydrophobicContact CB-CG 3.87Å; D17-L20 WeakPolarHBondContact O-CB 3.22Å; D17-L20 VanDerWaalsContact O-CG 3.24Å; D17-L20 WeakPolarHBondContact O-CG 3.43Å; D17-L20 PolarHBondContact O-N 3.09Å; L20-T22 HydrophobicContact CB-CG2 4.48Å; L20-K39 CarbonylContact O-C 3.15Å; L20-K39 VanDerWaalsContact O-CA 3.28Å; L20-K39 WeakPolarHBondContact O-CA 3.2Å; L20-G40 PolarHBondContact O-N 2.95Å; L20-S66 VanDerWaalsContact CD2-OG 3.31Å; L20-S66 WeakPolarHBondContact CD2-OG 3.27Å | ||
| 21 | N | 94.9 | Very high | 91.6 | Very high | 48 Ų | 48 | 54.9 Ų | 54.9 | 26% | 0.257 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 122.3 | 169.2 | -39.9 | -82.5 | 0 | 0 | 0 | 106.4 | S19 T37 V38 K39 S66 K67 | S19-N21 PolarHBondContact O-N 2.9Å; N21-T37 HydrophobicContact CB-CG2 3.75Å; N21-V38 CarbonylContact C-O 3.01Å; N21-V38 WeakPolarHBondContact CA-O 3.46Å; N21-K39 VanDerWaalsContact OD1-CE 3.27Å; N21-K39 WeakPolarHBondContact OD1-CE 3.09Å; N21-K39 WeakPolarHBondContact OD1-CG 3.21Å; N21-K39 PolarHBondContact OD1-NZ 3.49Å; N21-S66 CarbonylContact O-C 3.55Å; N21-S66 WeakPolarHBondContact O-CA 3.49Å; N21-K67 HydrophobicContact CB-CB 4.15Å; N21-K67 PolarHBondContact O-N 2.84Å |
| 22 | T | 97.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 150.1 | -174.6 | 50.8 | 0 | 0 | 0 | 0 | 113.1 | L13 L20 T37 V38 H65 L75 | L13-T22 HydrophobicContact CD1-CG2 3.78Å; L20-T22 HydrophobicContact CB-CG2 4.48Å; T22-T37 WeakPolarHBondContact O-CA 3.04Å; T22-V38 PolarHBondContact N-O 3.27Å; T22-V38 PolarHBondContact O-N 2.72Å; T22-H65 CarbonylContact C-O 3.57Å; T22-H65 WeakPolarHBondContact CA-O 3.46Å; T22-L75 HydrophobicContact CG2-CD1 3.85Å |
| 23 | Y | 97.9 | Very high | 91.5 | Very high | 38 Ų | 38 | 54.4 Ų | 54.4 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 162.1 | 170.4 | 63.9 | -84.9 | 0 | 0 | 0 | 109.7 | T37 H65 K67 D72 | Y23-T37 HydrophobicContact CD1-CG2 4.3Å; Y23-H65 HydrophobicContact CD1-CB 4.07Å; Y23-H65 HydrophobicContact CD2-CB 4.21Å; Y23-H65 HydrophobicContact CE1-CB 3.65Å; Y23-H65 HydrophobicContact CE2-CB 3.79Å; Y23-H65 HydrophobicContact CG-CB 4.35Å; Y23-H65 AromaticContact CZ-CG 3.97Å; Y23-H65 PolarHBondContact N-O 3.29Å; Y23-H65 PolarHBondContact O-N 3.25Å; Y23-K67 HydrophobicContact CD1-CB 4.32Å; Y23-K67 HydrophobicContact CE1-CB 4.16Å; Y23-D72 VanDerWaalsContact CE1-OD2 3.24Å; Y23-D72 WeakPolarHBondContact CE1-OD2 3.13Å; Y23-D72 PolarHBondContact OH-OD2 2.92Å |
| 24 | I | 98.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 131.3 | 174 | -73.2 | 175.5 | 0 | 0 | 0 | 108.5 | I8 V26 S34 T35 W45 I62 E63 L64 F99 C121 | I8-I24 HydrophobicContact CD1-CG2 4.22Å; I8-I24 HydrophobicContact CG1-CG2 4.31Å; I8-I24 HydrophobicContact CG2-CB 4.24Å; I8-I24 HydrophobicContact CG2-CD1 3.73Å; I8-I24 HydrophobicContact CG2-CG2 4.39Å; I24-V26 HydrophobicContact CG2-CG2 4.08Å; I24-S34 CarbonylContact O-C 3.6Å; I24-S34 VanDerWaalsContact O-CA 3.27Å; I24-S34 WeakPolarHBondContact O-CA 3.06Å; I24-T35 HydrophobicContact CB-CG2 4.38Å; I24-T35 PolarHBondContact N-OG1 3.06Å; I24-T35 PolarHBondContact O-N 3.41Å; I24-W45 HydrophobicContact CD1-CE3 4.21Å; I24-W45 HydrophobicContact CD1-CH2 3.65Å; I24-W45 HydrophobicContact CD1-CZ3 3.48Å; I24-W45 VanDerWaalsContact CD1-CZ3 3.48Å; I24-W45 HydrophobicContact CG1-CH2 3.78Å; I24-W45 HydrophobicContact CG1-CZ2 4.24Å; I24-W45 HydrophobicContact CG1-CZ3 4.1Å; I24-I62 HydrophobicContact CG2-CG2 3.5Å; I24-I62 VanDerWaalsContact CG2-CG2 3.5Å; I24-E63 CarbonylContact C-O 3.52Å; I24-E63 WeakPolarHBondContact CA-O 3.43Å; I24-L64 HydrophobicContact CD1-CD1 4.34Å; I24-L64 HydrophobicContact CG1-CD1 3.8Å; I24-F99 HydrophobicContact CD1-CZ 4.1Å; I24-C121 HydrophobicContact CD1-CB 3.79Å |
| 25 | S | 97.5 | Very high | 92 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 138.4 | 170.5 | 169.5 | 0 | 0 | 0 | 0 | 108.8 | K27 H32 I62 E63 | S25-K27 VanDerWaalsContact OG-CE 3.25Å; S25-K27 WeakPolarHBondContact OG-CE 3.46Å; S25-H32 PolarHBondContact OG-CD2 3.32Å; S25-H32 PolarHBondContact OG-NE2 3.36Å; S25-I62 CarbonylContact O-C 3.49Å; S25-I62 WeakPolarHBondContact O-CA 3.27Å; S25-E63 PolarHBondContact N-O 2.94Å; S25-E63 PolarHBondContact O-N 2.93Å |
| 26 | V | 97.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 119.9 | -179.2 | -178.5 | 0 | 0 | 0 | 0 | 107.6 | I6 I8 I24 H32 S33 F49 F51 L60 L61 | I6-V26 HydrophobicContact CD1-CG1 4.14Å; I6-V26 HydrophobicContact CG2-CG1 4.45Å; I8-V26 HydrophobicContact CD1-CG2 4.25Å; I8-V26 HydrophobicContact CG1-CG2 4.24Å; I24-V26 HydrophobicContact CG2-CG2 4.08Å; V26-H32 WeakPolarHBondContact O-CA 3.42Å; V26-H32 PolarHBondContact O-CD2 2.94Å; V26-S33 PolarHBondContact N-O 3.45Å; V26-S33 PolarHBondContact O-N 3.47Å; V26-F49 HydrophobicContact CG2-CD2 4.13Å; V26-F49 HydrophobicContact CG2-CE2 4.26Å; V26-F51 HydrophobicContact CB-CZ 4.5Å; V26-F51 HydrophobicContact CG1-CE2 3.79Å; V26-F51 HydrophobicContact CG1-CZ 4.03Å; V26-L60 HydrophobicContact CG1-CD1 3.71Å; V26-L60 HydrophobicContact CG1-CD2 4.37Å; V26-L60 HydrophobicContact CG1-CG 4.24Å; V26-L61 WeakPolarHBondContact CA-O 3.4Å |
| 27 | K | 96 | Very high | 93.4 | Very high | 68 Ų | 68 | 50.7 Ų | 50.7 | 30% | 0.296 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 132.2 | -174.2 | -59.8 | 173.5 | -167.1 | 170.7 | 0 | 111 | S25 H32 L61 E63 | S25-K27 VanDerWaalsContact OG-CE 3.25Å; S25-K27 WeakPolarHBondContact OG-CE 3.46Å; K27-H32 HydrophobicContact CG-CB 4.38Å; K27-L61 HydrophobicContact CB-CB 4.28Å; K27-L61 HydrophobicContact CD-CD2 4.42Å; K27-L61 PolarHBondContact N-O 3.38Å; K27-L61 PolarHBondContact O-N 3.19Å; K27-E63 WeakPolarHBondContact CE-OE1 3.15Å; K27-E63 WeakPolarHBondContact CE-OE2 3.27Å; K27-E63 IonicContact NZ-OE1 2.59Å; K27-E63 PolarHBondContact NZ-OE1 3.13Å; K27-E63 IonicContact NZ-OE2 3.85Å; K27-E63 PolarHBondContact NZ-OE2 3.48Å |
| 28 | L | 94.1 | Very high | 94.1 | Very high | 7 Ų | 7 | 48.7 Ų | 48.7 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 95.5 | 176.3 | -173.3 | 72.5 | 0 | 0 | 0 | 108.5 | L4 Q30 A31 F51 T53 L60 L82 | L4-L28 HydrophobicContact CD2-CD1 4.28Å; L4-L28 HydrophobicContact CD2-CD2 4.07Å; L28-Q30 PolarHBondContact O-N 2.85Å; L28-A31 PolarHBondContact N-O 3.4Å; L28-A31 WeakPolarHBondContact O-CB 3.32Å; L28-A31 PolarHBondContact O-N 3.33Å; L28-F51 HydrophobicContact CB-CD1 4.41Å; L28-F51 HydrophobicContact CB-CG 4.41Å; L28-F51 HydrophobicContact CD2-CB 3.45Å; L28-F51 VanDerWaalsContact CD2-CB 3.45Å; L28-F51 HydrophobicContact CD2-CD1 4.5Å; L28-F51 HydrophobicContact CD2-CD2 4.46Å; L28-F51 HydrophobicContact CD2-CG 3.94Å; L28-T53 HydrophobicContact CD2-CG2 3.86Å; L28-L60 HydrophobicContact CB-CD1 4.08Å; L28-L60 HydrophobicContact CD1-CD1 4.14Å; L28-L82 HydrophobicContact CD1-CD1 4.07Å; L28-L82 HydrophobicContact CD1-CD2 3.83Å; L28-L82 HydrophobicContact CD1-CG 4.39Å |
| 29 | R | 87.8 | Confident | 94.7 | Very high | 123 Ų | 123 | 51.2 Ų | 51.2 | 46% | 0.464 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | -122.5 | -171.1 | -56.4 | 177.6 | 148.1 | 100 | 13.3 | 110.9 | A31 T53 R55 D57 | R29-A31 VanDerWaalsContact C-N 3.33Å; R29-T53 PolarHBondContact NH1-OG1 2.9Å; R29-R55 PolarHBondContact NH1-O 3.27Å; R29-D57 IonicContact CZ-OD1 2.66Å; R29-D57 IonicContact NH1-OD1 3.29Å; R29-D57 VanDerWaalsContact NH2-CG 3.27Å; R29-D57 IonicContact NH2-OD1 2.68Å; R29-D57 PolarHBondContact NH2-OD1 3.14Å; R29-D57 IonicContact NH2-OD2 2.8Å; R29-D57 PolarHBondContact NH2-OD2 3.18Å |
| 30 | Q | 87.5 | Confident | 95.1 | Very high | 109 Ų | 109 | 47.9 Ų | 47.9 | 51% | 0.509 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -13.4 | 177.1 | -66.9 | 177.7 | -32.4 | 0 | 0 | 113.3 | L28 P600 E601 | L28-Q30 PolarHBondContact O-N 2.85Å; Q30-P600 WeakPolarHBondContact O-CD 3.3Å; Q30-E601 WeakPolarHBondContact CG-OE2 3.4Å; Q30-E601 PolarHBondContact NE2-OE2 3.29Å |
| 31 | A | 92.2 | Very high | 95.2 | Very high | 31 Ų | 31 | 49.2 Ų | 49.2 | 26% | 0.256 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 133.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | L28 R29 F51 | L28-A31 PolarHBondContact N-O 3.4Å; L28-A31 WeakPolarHBondContact O-CB 3.32Å; L28-A31 PolarHBondContact O-N 3.33Å; R29-A31 VanDerWaalsContact C-N 3.33Å; A31-F51 HydrophobicContact CB-CD1 3.61Å; A31-F51 HydrophobicContact CB-CE1 3.84Å |
| 32 | H | 94.1 | Very high | 95.2 | Very high | 99 Ų | 99 | 50 Ų | 50 | 46% | 0.458 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 142.3 | 179.3 | 166.7 | -118.2 | 0 | 0 | 0 | 109.3 | S25 V26 K27 | S25-H32 PolarHBondContact OG-CD2 3.32Å; S25-H32 PolarHBondContact OG-NE2 3.36Å; V26-H32 WeakPolarHBondContact O-CA 3.42Å; V26-H32 PolarHBondContact O-CD2 2.94Å; K27-H32 HydrophobicContact CG-CB 4.38Å |
| 33 | S | 97.3 | Very high | 95.1 | Very high | 39 Ų | 39 | 50 Ų | 50 | 27% | 0.273 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 158 | 169.7 | -67.2 | 0 | 0 | 0 | 0 | 109.9 | V26 F49 | V26-S33 PolarHBondContact N-O 3.45Å; V26-S33 PolarHBondContact O-N 3.47Å; S33-F49 VanDerWaalsContact CB-CD1 3.42Å |
| 34 | S | 97.5 | Very high | 95.1 | Very high | 58 Ų | 58 | 53.9 Ų | 53.9 | 41% | 0.406 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 140.4 | -175.5 | 59.6 | 0 | 0 | 0 | 0 | 110.9 | I24 | I24-S34 CarbonylContact O-C 3.6Å; I24-S34 VanDerWaalsContact O-CA 3.27Å; I24-S34 WeakPolarHBondContact O-CA 3.06Å |
| 35 | T | 98.2 | Very high | 95 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 161.8 | 179 | 64.6 | 0 | 0 | 0 | 0 | 113 | I8 I24 W45 E47 F49 | I8-T35 HydrophobicContact CB-CG2 4.04Å; I8-T35 HydrophobicContact CG1-CG2 4.33Å; I8-T35 HydrophobicContact CG2-CG2 4.02Å; I24-T35 HydrophobicContact CB-CG2 4.38Å; I24-T35 PolarHBondContact N-OG1 3.06Å; I24-T35 PolarHBondContact O-N 3.41Å; T35-W45 HydrophobicContact CG2-CB 4.21Å; T35-W45 HydrophobicContact CG2-CD2 4.49Å; T35-W45 HydrophobicContact CG2-CG 4.02Å; T35-W45 VanDerWaalsContact OG1-CD1 3.22Å; T35-W45 PolarHBondContact OG1-NE1 2.88Å; T35-E47 WeakPolarHBondContact CA-OE2 3.41Å; T35-E47 WeakPolarHBondContact CB-OE2 3.29Å; T35-E47 HydrophobicContact CG2-CB 4.38Å; T35-F49 HydrophobicContact CG2-CE2 3.76Å; T35-F49 HydrophobicContact CG2-CZ 3.76Å |
| 36 | Q | 96.9 | Very high | 95 | Very high | 93 Ų | 93 | 59.6 Ų | 59.6 | 44% | 0.435 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 142.5 | 167.2 | -78.8 | 180 | 100.8 | 0 | 0 | 110.9 | V38 W45 E47 | Q36-V38 PolarHBondContact O-N 3.06Å; Q36-W45 PolarHBondContact O-NE1 3.36Å; Q36-E47 WeakPolarHBondContact CG-OE1 3.27Å; Q36-E47 PolarHBondContact N-OE2 3.08Å; Q36-E47 PolarHBondContact NE2-OE1 2.04Å |
| 37 | T | 97 | Very high | 94.9 | Very high | 56 Ų | 56 | 61.7 Ų | 61.7 | 34% | 0.344 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -72 | 119.1 | 176.5 | -41.5 | 0 | 0 | 0 | 0 | 110.9 | N21 T22 Y23 K67 | N21-T37 HydrophobicContact CB-CG2 3.75Å; T22-T37 WeakPolarHBondContact O-CA 3.04Å; Y23-T37 HydrophobicContact CD1-CG2 4.3Å; T37-K67 HydrophobicContact CG2-CB 3.88Å; T37-K67 HydrophobicContact CG2-CD 3.81Å; T37-K67 WeakPolarHBondContact OG1-CD 3.45Å |
| 38 | V | 96.5 | Very high | 94.9 | Very high | 39 Ų | 39 | 62.5 Ų | 62.5 | 24% | 0.236 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 158.2 | 179.6 | 176 | 0 | 0 | 0 | 0 | 109.3 | N21 T22 Q36 P43 W45 | N21-V38 CarbonylContact C-O 3.01Å; N21-V38 WeakPolarHBondContact CA-O 3.46Å; T22-V38 PolarHBondContact N-O 3.27Å; T22-V38 PolarHBondContact O-N 2.72Å; Q36-V38 PolarHBondContact O-N 3.06Å; V38-P43 HydrophobicContact CB-CB 3.92Å; V38-P43 HydrophobicContact CG1-CB 3.66Å; V38-W45 HydrophobicContact CG2-CG 4.34Å |
| 39 | K | 94.7 | Very high | 95 | Very high | 148 Ų | 148 | 63.5 Ų | 63.5 | 64% | 0.643 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 150.4 | 179.6 | -65.6 | -170.6 | 178.1 | -100.5 | 0 | 112.8 | L20 N21 | L20-K39 CarbonylContact O-C 3.15Å; L20-K39 VanDerWaalsContact O-CA 3.28Å; L20-K39 WeakPolarHBondContact O-CA 3.2Å; N21-K39 VanDerWaalsContact OD1-CE 3.27Å; N21-K39 WeakPolarHBondContact OD1-CE 3.09Å; N21-K39 WeakPolarHBondContact OD1-CG 3.21Å; N21-K39 PolarHBondContact OD1-NZ 3.49Å |
| 40 | G | 92.9 | Very high | 95.4 | Very high | 15 Ų | 15 | 62.2 Ų | 62.2 | 16% | 0.155 | 33% | 0.332 | C | S | . | . | S | Bend | trans | 101.2 | 176.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L20 | L20-G40 PolarHBondContact O-N 2.95Š|
| 41 | T | 93.3 | Very high | 95.7 | Very high | 53 Ų | 53 | 57.7 Ų | 57.7 | 33% | 0.325 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -82.1 | -12.9 | -178.5 | 47.5 | 0 | 0 | 0 | 0 | 114.1 | L13 S15 P43 | L13-T41 WeakPolarHBondContact CB-O 3.31Å; L13-T41 PolarHBondContact N-O 3.02Å; L13-T41 WeakPolarHBondContact O-CB 3.37Å; S15-T41 WeakPolarHBondContact O-CG2 3.29Å; T41-P43 VanDerWaalsContact C-CD 3.42Å |
| 42 | A | 94.9 | Very high | 95.7 | Very high | 65 Ų | 65 | 62.5 Ų | 62.5 | 54% | 0.537 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -125.3 | 61.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A11 | A11-A42 WeakPolarHBondContact O-CA 3.46Š|
| 43 | P | 95.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | trans | -67 | 138.1 | -178.1 | 31 | -37.4 | 0 | 0 | 0 | 111.1 | E10 A11 L13 V38 T41 W45 | E10-P43 CarbonylContact C-O 3.48Å; E10-P43 WeakPolarHBondContact CA-O 3.42Å; E10-P43 WeakPolarHBondContact CB-O 3.3Å; A11-P43 HydrophobicContact CB-CG 4.01Å; A11-P43 PolarHBondContact N-O 3.45Å; A11-P43 WeakPolarHBondContact O-CD 3.42Å; L13-P43 HydrophobicContact CD1-CG 4.13Å; V38-P43 HydrophobicContact CB-CB 3.92Å; V38-P43 HydrophobicContact CG1-CB 3.66Å; T41-P43 VanDerWaalsContact C-CD 3.42Å; P43-W45 HydrophobicContact CB-CH2 3.82Å; P43-W45 HydrophobicContact CB-CZ2 3.77Å; P43-W45 HydrophobicContact CB-CZ3 4.25Å; P43-W45 HydrophobicContact CG-CH2 3.39Å; P43-W45 HydrophobicContact CG-CZ2 3.81Å; P43-W45 HydrophobicContact CG-CZ3 3.88Å | ||
| 44 | K | 96.6 | Very high | 94.9 | Very high | 119 Ų | 119 | 62.8 Ų | 62.8 | 52% | 0.517 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130.3 | 174 | -57.6 | -179.8 | -174.7 | -84 | 0 | 108.9 | E10 | E10-K44 HydrophobicContact CB-CB 4.33Å; E10-K44 HydrophobicContact CB-CG 3.88Å; E10-K44 IonicContact OE1-NZ 3.27Å; E10-K44 IonicContact OE2-NZ 2.62Å; E10-K44 PolarHBondContact OE2-NZ 3.06Å |
| 45 | W | 97.3 | Very high | 94.4 | Very high | 21 Ų | 21 | 67.9 Ų | 67.9 | 8% | 0.08 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | -54.3 | -178.3 | -64.7 | -80 | 0 | 0 | 0 | 111.7 | I8 I9 A11 I24 T35 Q36 V38 P43 E47 L64 | I8-W45 HydrophobicContact CG2-CD2 4.25Å; I8-W45 HydrophobicContact CG2-CE3 3.71Å; I8-W45 HydrophobicContact CG2-CZ3 4.27Å; I9-W45 PolarHBondContact O-N 2.68Å; A11-W45 HydrophobicContact CB-CH2 3.92Å; A11-W45 HydrophobicContact CB-CZ3 3.67Å; I24-W45 HydrophobicContact CD1-CE3 4.21Å; I24-W45 HydrophobicContact CD1-CH2 3.65Å; I24-W45 HydrophobicContact CD1-CZ3 3.48Å; I24-W45 VanDerWaalsContact CD1-CZ3 3.48Å; I24-W45 HydrophobicContact CG1-CH2 3.78Å; I24-W45 HydrophobicContact CG1-CZ2 4.24Å; I24-W45 HydrophobicContact CG1-CZ3 4.1Å; T35-W45 HydrophobicContact CG2-CB 4.21Å; T35-W45 HydrophobicContact CG2-CD2 4.49Å; T35-W45 HydrophobicContact CG2-CG 4.02Å; T35-W45 VanDerWaalsContact OG1-CD1 3.22Å; T35-W45 PolarHBondContact OG1-NE1 2.88Å; Q36-W45 PolarHBondContact O-NE1 3.36Å; V38-W45 HydrophobicContact CG2-CG 4.34Å; P43-W45 HydrophobicContact CB-CH2 3.82Å; P43-W45 HydrophobicContact CB-CZ2 3.77Å; P43-W45 HydrophobicContact CB-CZ3 4.25Å; P43-W45 HydrophobicContact CG-CH2 3.39Å; P43-W45 HydrophobicContact CG-CZ2 3.81Å; P43-W45 HydrophobicContact CG-CZ3 3.88Å; W45-E47 VanDerWaalsContact C-N 3.28Å; W45-E47 HydrophobicContact CB-CG 4.43Å; W45-E47 PolarHBondContact O-N 2.98Å; W45-L64 HydrophobicContact CH2-CD1 4.25Å |
| 46 | N | 96 | Very high | 93.9 | Very high | 102 Ų | 102 | 70.3 Ų | 70.3 | 55% | 0.545 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 55.4 | 40 | -171.6 | -60.3 | -73.7 | 0 | 0 | 0 | 113.4 | I8 I9 | I8-N46 VanDerWaalsContact O-CA 3.3Å; I8-N46 WeakPolarHBondContact O-CA 3.42Å; I8-N46 PolarHBondContact O-N 3.16Å; I9-N46 PolarHBondContact O-N 3.33Å |
| 47 | E | 96.9 | Very high | 93.4 | Very high | 43 Ų | 43 | 71.1 Ų | 71.1 | 20% | 0.201 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 137.1 | -179.8 | -67.4 | 179.8 | 159 | 0 | 0 | 110.2 | I8 T35 Q36 W45 F49 | I8-E47 PolarHBondContact N-O 3.13Å; I8-E47 PolarHBondContact O-N 3.41Å; I8-E47 VanDerWaalsContact O-N 3.15Å; T35-E47 WeakPolarHBondContact CA-OE2 3.41Å; T35-E47 WeakPolarHBondContact CB-OE2 3.29Å; T35-E47 HydrophobicContact CG2-CB 4.38Å; Q36-E47 WeakPolarHBondContact CG-OE1 3.27Å; Q36-E47 PolarHBondContact N-OE2 3.08Å; Q36-E47 PolarHBondContact NE2-OE1 2.04Å; W45-E47 VanDerWaalsContact C-N 3.28Å; W45-E47 HydrophobicContact CB-CG 4.43Å; W45-E47 PolarHBondContact O-N 2.98Å; E47-F49 HydrophobicContact CB-CZ 4.3Å |
| 48 | E | 96.2 | Very high | 93.1 | Very high | 85 Ų | 85 | 69.4 Ų | 69.4 | 40% | 0.397 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 136.3 | -178.7 | -171.4 | 174.1 | -177 | 0 | 0 | 110.7 | I6 K7 R126 | I6-E48 CarbonylContact O-C 3.59Å; I6-E48 WeakPolarHBondContact O-CA 3.42Å; K7-E48 HydrophobicContact CB-CG 4.45Å; K7-E48 HydrophobicContact CG-CB 4.24Å; E48-R126 IonicContact OE1-NH2 3.23Å; E48-R126 PolarHBondContact OE1-NH2 3.19Å |
| 49 | F | 96.2 | Very high | 93 | Very high | 28 Ų | 28 | 67.9 Ų | 67.9 | 12% | 0.123 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 139.9 | 177.3 | -53.5 | -68.8 | 0 | 0 | 0 | 109.4 | C5 I6 I8 V26 S33 T35 E47 F51 | C5-F49 WeakPolarHBondContact CA-O 3.46Å; I6-F49 PolarHBondContact N-O 3.35Å; I6-F49 PolarHBondContact O-N 3.36Å; I8-F49 HydrophobicContact CG1-CD2 4.33Å; I8-F49 HydrophobicContact CG1-CE2 4.01Å; V26-F49 HydrophobicContact CG2-CD2 4.13Å; V26-F49 HydrophobicContact CG2-CE2 4.26Å; S33-F49 VanDerWaalsContact CB-CD1 3.42Å; T35-F49 HydrophobicContact CG2-CE2 3.76Å; T35-F49 HydrophobicContact CG2-CZ 3.76Å; E47-F49 HydrophobicContact CB-CZ 4.3Å; F49-F51 HydrophobicContact CB-CE2 3.79Å; F49-F51 HydrophobicContact CB-CZ 4.16Å |
| 50 | I | 95.1 | Very high | 93 | Very high | 97 Ų | 97 | 60.8 Ų | 60.8 | 50% | 0.497 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 129.8 | 179.1 | -53 | -178.3 | 0 | 0 | 0 | 108.4 | L3 L4 | L3-I50 HydrophobicContact CB-CG2 4.08Å; L3-I50 HydrophobicContact CD2-CG2 3.97Å; L3-I50 HydrophobicContact CG-CG2 4.47Å; L4-I50 CarbonylContact O-C 3.48Å; L4-I50 WeakPolarHBondContact O-CA 3.48Å |
| 51 | F | 94.7 | Very high | 93.2 | Very high | 13 Ų | 13 | 60.6 Ų | 60.6 | 6% | 0.057 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 139.9 | 179 | -56.6 | -86.2 | 0 | 0 | 0 | 111.7 | L4 I6 V26 L28 A31 F49 | L4-F51 PolarHBondContact N-O 3.36Å; L4-F51 PolarHBondContact O-N 3.33Å; I6-F51 HydrophobicContact CD1-CD2 3.66Å; I6-F51 HydrophobicContact CD1-CE2 3.68Å; V26-F51 HydrophobicContact CB-CZ 4.5Å; V26-F51 HydrophobicContact CG1-CE2 3.79Å; V26-F51 HydrophobicContact CG1-CZ 4.03Å; L28-F51 HydrophobicContact CB-CD1 4.41Å; L28-F51 HydrophobicContact CB-CG 4.41Å; L28-F51 HydrophobicContact CD2-CB 3.45Å; L28-F51 VanDerWaalsContact CD2-CB 3.45Å; L28-F51 HydrophobicContact CD2-CD1 4.5Å; L28-F51 HydrophobicContact CD2-CD2 4.46Å; L28-F51 HydrophobicContact CD2-CG 3.94Å; A31-F51 HydrophobicContact CB-CD1 3.61Å; A31-F51 HydrophobicContact CB-CE1 3.84Å; F49-F51 HydrophobicContact CB-CE2 3.79Å; F49-F51 HydrophobicContact CB-CZ 4.16Å |
| 52 | E | 92.6 | Very high | 93.4 | Very high | 132 Ų | 132 | 58 Ų | 58 | 62% | 0.617 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 128.4 | 169.6 | -71.2 | 174 | 179 | 0 | 0 | 110 | M1 L3 | M1-E52 HydrophobicContact CB-CB 4.4Å; M1-E52 HydrophobicContact CE-CB 3.74Å; M1-E52 HydrophobicContact SD-CB 3.98Å; M1-E52 HydrophobicContact SD-CG 4.44Å; L3-E52 HydrophobicContact CD2-CG 3.53Å |
| 53 | T | 88.5 | Confident | 93.5 | Very high | 7 Ų | 7 | 56.1 Ų | 56.1 | 4% | 0.043 | 27% | 0.269 | C | S | . | . | trans | -150.4 | 133.4 | 172.5 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | P2 L28 R29 R55 M56 L82 F127 | P2-T53 VanDerWaalsContact CD-O 3.23Å; P2-T53 WeakPolarHBondContact CD-O 3.19Å; P2-T53 VanDerWaalsContact CG-O 3.28Å; P2-T53 WeakPolarHBondContact CG-O 3.39Å; L28-T53 HydrophobicContact CD2-CG2 3.86Å; R29-T53 PolarHBondContact NH1-OG1 2.9Å; T53-R55 PolarHBondContact OG1-O 2.9Å; T53-M56 HydrophobicContact CG2-CE 3.87Å; T53-L82 HydrophobicContact CG2-CD1 4.26Å; T53-F127 HydrophobicContact CG2-CE1 4.18Å | ||
| 54 | E | 85.2 | Confident | 93.6 | Very high | 138 Ų | 138 | 56.1 Ų | 56.1 | 65% | 0.645 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -94.8 | -22.7 | 178 | -64.6 | -167.5 | 135.7 | 0 | 0 | 113.9 | M1 | M1-E54 HydrophobicContact CB-CG 4Å; M1-E54 HydrophobicContact CE-CG 3.86Å; M1-E54 HydrophobicContact CG-CG 3.58Å; M1-E54 WeakPolarHBondContact CG-OE1 3.23Å; M1-E54 PolarHBondContact N-OE1 3.12Å; M1-E54 HydrophobicContact SD-CG 4.49Å |
| 55 | R | 86.6 | Confident | 93.6 | Very high | 164 Ų | 164 | 51.6 Ų | 51.6 | 62% | 0.619 | 25% | 0.25 | S | S | * | . | trans | -103.2 | 126.1 | -177.6 | -39.8 | 178.8 | -177.5 | 176.7 | -0.3 | 110.9 | R29 T53 D57 L82 | R29-R55 PolarHBondContact NH1-O 3.27Å; T53-R55 PolarHBondContact OG1-O 2.9Å; R55-D57 VanDerWaalsContact C-OD1 3.23Å; R55-D57 WeakPolarHBondContact CB-OD1 3.1Å; R55-L82 WeakPolarHBondContact O-CD1 3.39Å | ||
| 56 | M | 89 | Confident | 93.6 | Very high | 58 Ų | 58 | 51.4 Ų | 51.4 | 29% | 0.286 | 25% | 0.252 | S | S | . | . | trans | -96.9 | 4.9 | -178 | -55.8 | -68.9 | 99.5 | 0 | 0 | 113.8 | P2 T53 G58 L82 F127 | P2-M56 HydrophobicContact CG-CE 4.17Å; T53-M56 HydrophobicContact CG2-CE 3.87Å; M56-G58 VanDerWaalsContact C-N 3.32Å; M56-L82 HydrophobicContact CE-CD1 4.4Å; M56-L82 HydrophobicContact SD-CB 4.44Å; M56-F127 HydrophobicContact CE-CE1 3.91Å; M56-F127 HydrophobicContact CE-CZ 3.66Å; M56-F127 HydrophobicContact SD-CE1 4.13Å; M56-F127 HydrophobicContact SD-CE2 3.78Å; M56-F127 HydrophobicContact SD-CZ 3.45Å; M56-F127 WeakPolarHBondContact SD-CZ 3.2Å | ||
| 57 | D | 86.4 | Confident | 93.6 | Very high | 110 Ų | 110 | 51.3 Ų | 51.3 | 59% | 0.588 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -67.8 | -20.3 | 177.3 | 56.5 | -22.5 | 0 | 0 | 0 | 114.6 | R29 R55 | R29-D57 IonicContact CZ-OD1 2.66Å; R29-D57 IonicContact NH1-OD1 3.29Å; R29-D57 VanDerWaalsContact NH2-CG 3.27Å; R29-D57 IonicContact NH2-OD1 2.68Å; R29-D57 PolarHBondContact NH2-OD1 3.14Å; R29-D57 IonicContact NH2-OD2 2.8Å; R29-D57 PolarHBondContact NH2-OD2 3.18Å; R55-D57 VanDerWaalsContact C-OD1 3.23Å; R55-D57 WeakPolarHBondContact CB-OD1 3.1Å |
| 58 | G | 90 | Very high | 93.3 | Very high | 20 Ų | 20 | 51.2 Ų | 51.2 | 21% | 0.206 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -100.7 | -166 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | M56 L82 | M56-G58 VanDerWaalsContact C-N 3.32Å; G58-L82 WeakPolarHBondContact O-CB 3.32Å; G58-L82 WeakPolarHBondContact O-CG 3.27Å; G58-L82 PolarHBondContact O-N 2.91Å |
| 59 | G | 93.7 | Very high | 93.1 | Very high | 6 Ų | 6 | 55.3 Ų | 55.3 | 6% | 0.062 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 171.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | W79 L80 | G59-W79 VanDerWaalsContact C-CH2 3.46Å; G59-W79 VanDerWaalsContact CA-CZ2 3.41Å; G59-W79 VanDerWaalsContact N-CH2 3.26Å; G59-W79 VanDerWaalsContact N-CZ2 3.29Å; G59-W79 WeakPolarHBondContact O-CH2 3.48Å; G59-W79 WeakPolarHBondContact O-CZ3 3.48Å; G59-L80 CarbonylContact C-O 3.59Å; G59-L80 WeakPolarHBondContact CA-O 3.39Å |
| 60 | L | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 128.4 | 168.7 | -176.6 | 76.5 | 0 | 0 | 0 | 108.7 | L4 I6 V26 L28 I62 L80 L82 V125 | L4-L60 HydrophobicContact CD2-CD1 4.14Å; I6-L60 HydrophobicContact CD1-CD1 3.6Å; I6-L60 HydrophobicContact CD1-CD2 3.46Å; I6-L60 VanDerWaalsContact CD1-CD2 3.46Å; I6-L60 HydrophobicContact CD1-CG 4.18Å; I6-L60 HydrophobicContact CG1-CD2 3.61Å; V26-L60 HydrophobicContact CG1-CD1 3.71Å; V26-L60 HydrophobicContact CG1-CD2 4.37Å; V26-L60 HydrophobicContact CG1-CG 4.24Å; L28-L60 HydrophobicContact CB-CD1 4.08Å; L28-L60 HydrophobicContact CD1-CD1 4.14Å; L60-I62 HydrophobicContact CD2-CD1 4.09Å; L60-I62 HydrophobicContact CD2-CG1 4.13Å; L60-I62 HydrophobicContact CG-CG1 4.34Å; L60-L80 HydrophobicContact CB-CB 4.39Å; L60-L80 PolarHBondContact N-O 3.09Å; L60-L80 PolarHBondContact O-N 3.38Å; L60-L82 HydrophobicContact CB-CD2 4.37Å; L60-V125 HydrophobicContact CD2-CG1 4.27Å |
| 61 | L | 96.5 | Very high | 92.9 | Very high | 10 Ų | 10 | 66.3 Ų | 66.3 | 5% | 0.052 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 131.4 | 173.3 | -161.9 | 75.6 | 0 | 0 | 0 | 110 | V26 K27 E63 V77 W79 I110 | V26-L61 WeakPolarHBondContact CA-O 3.4Å; K27-L61 HydrophobicContact CB-CB 4.28Å; K27-L61 HydrophobicContact CD-CD2 4.42Å; K27-L61 PolarHBondContact N-O 3.38Å; K27-L61 PolarHBondContact O-N 3.19Å; L61-E63 HydrophobicContact CD2-CG 4.07Å; L61-E63 VanDerWaalsContact CD2-OE1 3.23Å; L61-E63 WeakPolarHBondContact CD2-OE1 3.39Å; L61-E63 HydrophobicContact CG-CG 4.33Å; L61-V77 HydrophobicContact CD1-CG2 3.47Å; L61-V77 VanDerWaalsContact CD1-CG2 3.47Å; L61-V77 HydrophobicContact CD2-CG2 4.22Å; L61-V77 HydrophobicContact CG-CG2 3.78Å; L61-W79 HydrophobicContact CB-CE3 3.92Å; L61-W79 HydrophobicContact CB-CZ3 4.02Å; L61-W79 HydrophobicContact CD1-CB 4.26Å; L61-W79 HydrophobicContact CD1-CD2 4.41Å; L61-W79 HydrophobicContact CD1-CE3 3.62Å; L61-W79 HydrophobicContact CD1-CZ3 4.3Å; L61-W79 HydrophobicContact CG-CE3 4.41Å; L61-I110 HydrophobicContact CD1-CD1 3.63Å; L61-I110 HydrophobicContact CD1-CG2 4.2Å; L61-I110 HydrophobicContact CD2-CD1 3.56Å; L61-I110 HydrophobicContact CG-CD1 4.17Å |
| 62 | I | 97.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 120.5 | 175.8 | -56.1 | 178.1 | 0 | 0 | 0 | 107.5 | I24 S25 L60 V77 V78 L80 L97 F99 | I24-I62 HydrophobicContact CG2-CG2 3.5Å; I24-I62 VanDerWaalsContact CG2-CG2 3.5Å; S25-I62 CarbonylContact O-C 3.49Å; S25-I62 WeakPolarHBondContact O-CA 3.27Å; L60-I62 HydrophobicContact CD2-CD1 4.09Å; L60-I62 HydrophobicContact CD2-CG1 4.13Å; L60-I62 HydrophobicContact CG-CG1 4.34Å; I62-V77 CarbonylContact O-C 3.57Å; I62-V77 WeakPolarHBondContact O-CA 3.39Å; I62-V78 HydrophobicContact CB-CB 4.42Å; I62-V78 PolarHBondContact N-O 2.73Å; I62-V78 PolarHBondContact O-N 2.88Å; I62-L80 HydrophobicContact CD1-CD1 4.1Å; I62-L97 HydrophobicContact CD1-CD1 3.81Å; I62-F99 HydrophobicContact CG2-CE1 4.12Å; I62-F99 HydrophobicContact CG2-CZ 4.28Å |
| 63 | E | 97.7 | Very high | 93 | Very high | 25 Ų | 25 | 68.6 Ų | 68.6 | 12% | 0.117 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 127.7 | -177.9 | -68.7 | 172.6 | -169.2 | 0 | 0 | 110.6 | I24 S25 K27 L61 H65 L74 V77 | I24-E63 CarbonylContact C-O 3.52Å; I24-E63 WeakPolarHBondContact CA-O 3.43Å; S25-E63 PolarHBondContact N-O 2.94Å; S25-E63 PolarHBondContact O-N 2.93Å; K27-E63 WeakPolarHBondContact CE-OE1 3.15Å; K27-E63 WeakPolarHBondContact CE-OE2 3.27Å; K27-E63 IonicContact NZ-OE1 2.59Å; K27-E63 PolarHBondContact NZ-OE1 3.13Å; K27-E63 IonicContact NZ-OE2 3.85Å; K27-E63 PolarHBondContact NZ-OE2 3.48Å; L61-E63 HydrophobicContact CD2-CG 4.07Å; L61-E63 VanDerWaalsContact CD2-OE1 3.23Å; L61-E63 WeakPolarHBondContact CD2-OE1 3.39Å; L61-E63 HydrophobicContact CG-CG 4.33Å; E63-H65 WeakPolarHBondContact CB-NE2 3.41Å; E63-H65 IonicContact OE2-CD2 2.9Å; E63-H65 IonicContact OE2-CE1 3.87Å; E63-H65 PolarHBondContact OE2-CE1 2.85Å; E63-H65 IonicContact OE2-NE2 3.93Å; E63-H65 PolarHBondContact OE2-NE2 3.45Å; E63-L74 HydrophobicContact CB-CD1 3.78Å; E63-L74 HydrophobicContact CG-CD1 4.01Å; E63-V77 HydrophobicContact CG-CB 4.37Å; E63-V77 HydrophobicContact CG-CG2 3.94Å |
| 64 | L | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 122.5 | 171.7 | 177 | 71.7 | 0 | 0 | 0 | 109.8 | L13 I24 W45 L75 G76 F99 H119 | L13-L64 HydrophobicContact CD2-CD1 4.31Å; L13-L64 HydrophobicContact CD2-CD2 3.37Å; L13-L64 HydrophobicContact CD2-CG 4.47Å; I24-L64 HydrophobicContact CD1-CD1 4.34Å; I24-L64 HydrophobicContact CG1-CD1 3.8Å; W45-L64 HydrophobicContact CH2-CD1 4.25Å; L64-L75 HydrophobicContact CB-CB 4.44Å; L64-L75 HydrophobicContact CD2-CB 3.71Å; L64-L75 HydrophobicContact CD2-CD1 3.93Å; L64-L75 HydrophobicContact CD2-CG 4.45Å; L64-L75 HydrophobicContact CG-CB 3.93Å; L64-L75 HydrophobicContact CG-CD1 4.13Å; L64-L75 PolarHBondContact O-N 3.41Å; L64-G76 PolarHBondContact N-O 2.91Å; L64-G76 PolarHBondContact O-N 3.31Å; L64-F99 HydrophobicContact CB-CD1 4.04Å; L64-F99 HydrophobicContact CB-CD2 4.39Å; L64-F99 HydrophobicContact CB-CE1 3.7Å; L64-F99 HydrophobicContact CB-CE2 4.06Å; L64-F99 HydrophobicContact CB-CG 4.4Å; L64-F99 HydrophobicContact CB-CZ 3.72Å; L64-F99 HydrophobicContact CD2-CD2 4.31Å; L64-F99 HydrophobicContact CD2-CE2 4.31Å; L64-H119 HydrophobicContact CD2-CB 3.98Å |
| 65 | H | 97.1 | Very high | 93.9 | Very high | 25 Ų | 25 | 66.2 Ų | 66.2 | 12% | 0.116 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 136.5 | -179.5 | -72.6 | -86.8 | 0 | 0 | 0 | 112 | T22 Y23 E63 | T22-H65 CarbonylContact C-O 3.57Å; T22-H65 WeakPolarHBondContact CA-O 3.46Å; Y23-H65 HydrophobicContact CD1-CB 4.07Å; Y23-H65 HydrophobicContact CD2-CB 4.21Å; Y23-H65 HydrophobicContact CE1-CB 3.65Å; Y23-H65 HydrophobicContact CE2-CB 3.79Å; Y23-H65 HydrophobicContact CG-CB 4.35Å; Y23-H65 AromaticContact CZ-CG 3.97Å; Y23-H65 PolarHBondContact N-O 3.29Å; Y23-H65 PolarHBondContact O-N 3.25Å; E63-H65 WeakPolarHBondContact CB-NE2 3.41Å; E63-H65 IonicContact OE2-CD2 2.9Å; E63-H65 IonicContact OE2-CE1 3.87Å; E63-H65 PolarHBondContact OE2-CE1 2.85Å; E63-H65 IonicContact OE2-NE2 3.93Å; E63-H65 PolarHBondContact OE2-NE2 3.45Å |
| 66 | S | 96 | Very high | 94.4 | Very high | 16 Ų | 16 | 58.4 Ų | 58.4 | 11% | 0.112 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 124 | 163 | -171.5 | 0 | 0 | 0 | 0 | 109.9 | L20 N21 G68 D72 K73 | L20-S66 VanDerWaalsContact CD2-OG 3.31Å; L20-S66 WeakPolarHBondContact CD2-OG 3.27Å; N21-S66 CarbonylContact O-C 3.55Å; N21-S66 WeakPolarHBondContact O-CA 3.49Å; S66-G68 PolarHBondContact O-N 3.44Å; S66-D72 CarbonylContact O-C 3.48Å; S66-D72 WeakPolarHBondContact O-CA 3.48Å; S66-K73 PolarHBondContact N-O 2.95Å; S66-K73 PolarHBondContact O-N 3.19Å |
| 67 | K | 95.5 | Very high | 94.8 | Very high | 101 Ų | 101 | 55.8 Ų | 55.8 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | trans | -80.1 | 116.5 | -176.1 | -170.7 | 169.2 | -168.3 | 157.9 | 0 | 111.5 | N21 Y23 T37 D72 | N21-K67 HydrophobicContact CB-CB 4.15Å; N21-K67 PolarHBondContact O-N 2.84Å; Y23-K67 HydrophobicContact CD1-CB 4.32Å; Y23-K67 HydrophobicContact CE1-CB 4.16Å; T37-K67 HydrophobicContact CG2-CB 3.88Å; T37-K67 HydrophobicContact CG2-CD 3.81Å; T37-K67 WeakPolarHBondContact OG1-CD 3.45Å; K67-D72 VanDerWaalsContact CA-OD1 3.29Å; K67-D72 WeakPolarHBondContact CA-OD1 3.26Å | ||
| 68 | G | 92.2 | Very high | 95.3 | Very high | 41 Ų | 41 | 51.1 Ų | 51.1 | 42% | 0.423 | 27% | 0.266 | S | S | . | . | trans | -94.1 | -175.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S66 D72 | S66-G68 PolarHBondContact O-N 3.44Å; G68-D72 PolarHBondContact N-OD1 3.47Å | ||
| 69 | L | 91.4 | Very high | 95.6 | Very high | 170 Ų | 170 | 52.5 Ų | 52.5 | 89% | 0.89 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -87.7 | -30.8 | 174.4 | -176.4 | 62.4 | 0 | 0 | 0 | 112.9 | ||
| 70 | L | 93.3 | Very high | 95.7 | Very high | 174 Ų | 174 | 53.9 Ų | 53.9 | 91% | 0.911 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -123.9 | -35.7 | -176 | -63 | 176.7 | 0 | 0 | 0 | 113.1 | ||
| 71 | K | 92.9 | Very high | 95.7 | Very high | 183 Ų | 183 | 55.8 Ų | 55.8 | 80% | 0.796 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -146.9 | 139.1 | 178.5 | 179.3 | 179.2 | 176.4 | -178.1 | 0 | 108.2 | ||
| 72 | D | 96.3 | Very high | 95.6 | Very high | 48 Ų | 48 | 55.4 Ų | 55.4 | 26% | 0.257 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -80.9 | 143.4 | 174.2 | -67.4 | -9.2 | 0 | 0 | 0 | 110.5 | Y23 S66 K67 G68 | Y23-D72 VanDerWaalsContact CE1-OD2 3.24Å; Y23-D72 WeakPolarHBondContact CE1-OD2 3.13Å; Y23-D72 PolarHBondContact OH-OD2 2.92Å; S66-D72 CarbonylContact O-C 3.48Å; S66-D72 WeakPolarHBondContact O-CA 3.48Å; K67-D72 VanDerWaalsContact CA-OD1 3.29Å; K67-D72 WeakPolarHBondContact CA-OD1 3.26Å; G68-D72 PolarHBondContact N-OD1 3.47Å |
| 73 | K | 95 | Very high | 95.3 | Very high | 144 Ų | 144 | 61.2 Ų | 61.2 | 63% | 0.626 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 118.2 | -179.6 | 177.7 | -175.6 | 175.3 | -171 | 0 | 109 | S66 L75 | S66-K73 PolarHBondContact N-O 2.95Å; S66-K73 PolarHBondContact O-N 3.19Å; K73-L75 HydrophobicContact CD-CD2 4.22Å; K73-L75 HydrophobicContact CG-CD2 4.42Å; K73-L75 PolarHBondContact O-N 2.98Å |
| 74 | L | 96.1 | Very high | 95 | Very high | 72 Ų | 72 | 65.7 Ų | 65.7 | 38% | 0.377 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 124.1 | 164.7 | -173.1 | 72 | 0 | 0 | 0 | 108.6 | E63 G76 | E63-L74 HydrophobicContact CB-CD1 3.78Å; E63-L74 HydrophobicContact CG-CD1 4.01Å; L74-G76 WeakPolarHBondContact CD1-O 3.36Å |
| 75 | L | 95.8 | Very high | 94.8 | Very high | 24 Ų | 24 | 66.5 Ų | 66.5 | 13% | 0.126 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -30.2 | 172.9 | -64.3 | -175.5 | 0 | 0 | 0 | 111.3 | T22 L64 K73 | T22-L75 HydrophobicContact CG2-CD1 3.85Å; L64-L75 HydrophobicContact CB-CB 4.44Å; L64-L75 HydrophobicContact CD2-CB 3.71Å; L64-L75 HydrophobicContact CD2-CD1 3.93Å; L64-L75 HydrophobicContact CD2-CG 4.45Å; L64-L75 HydrophobicContact CG-CB 3.93Å; L64-L75 HydrophobicContact CG-CD1 4.13Å; L64-L75 PolarHBondContact O-N 3.41Å; K73-L75 HydrophobicContact CD-CD2 4.22Å; K73-L75 HydrophobicContact CG-CD2 4.42Å; K73-L75 PolarHBondContact O-N 2.98Å |
| 76 | G | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.2 | 174.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L64 L74 D100 | L64-G76 PolarHBondContact N-O 2.91Å; L64-G76 PolarHBondContact O-N 3.31Å; L74-G76 WeakPolarHBondContact CD1-O 3.36Å; G76-D100 CarbonylContact C-O 3.48Å; G76-D100 WeakPolarHBondContact CA-O 3.3Å |
| 77 | V | 97.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 76.1 Ų | 76.1 | 2% | 0.018 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 149.4 | -174.4 | 60.2 | 0 | 0 | 0 | 0 | 111.4 | L61 I62 E63 D100 A103 T113 | L61-V77 HydrophobicContact CD1-CG2 3.47Å; L61-V77 VanDerWaalsContact CD1-CG2 3.47Å; L61-V77 HydrophobicContact CD2-CG2 4.22Å; L61-V77 HydrophobicContact CG-CG2 3.78Å; I62-V77 CarbonylContact O-C 3.57Å; I62-V77 WeakPolarHBondContact O-CA 3.39Å; E63-V77 HydrophobicContact CG-CB 4.37Å; E63-V77 HydrophobicContact CG-CG2 3.94Å; V77-D100 PolarHBondContact N-O 2.88Å; V77-D100 PolarHBondContact O-N 2.94Å; V77-A103 HydrophobicContact CG1-CB 4.32Å; V77-T113 HydrophobicContact CG1-CG2 3.88Å; V77-T113 HydrophobicContact CG2-CG2 4.19Å |
| 78 | V | 97.3 | Very high | 94 | Very high | 11 Ų | 11 | 73 Ų | 73 | 7% | 0.067 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 138.7 | 172.8 | 177 | 0 | 0 | 0 | 0 | 108.9 | I62 L80 L97 N98 F99 | I62-V78 HydrophobicContact CB-CB 4.42Å; I62-V78 PolarHBondContact N-O 2.73Å; I62-V78 PolarHBondContact O-N 2.88Å; V78-L80 HydrophobicContact CG1-CD2 4.07Å; V78-L80 HydrophobicContact CG1-CG 4.13Å; V78-L97 HydrophobicContact CG1-CB 4.44Å; V78-L97 HydrophobicContact CG2-CB 4.3Å; V78-N98 WeakPolarHBondContact CG2-O 3.49Å; V78-F99 HydrophobicContact CG2-CB 4.37Å; V78-F99 HydrophobicContact CG2-CD1 3.61Å; V78-F99 HydrophobicContact CG2-CE1 4.02Å; V78-F99 HydrophobicContact CG2-CG 4Å |
| 79 | W | 96.4 | Very high | 93.8 | Very high | 50 Ų | 50 | 74.5 Ų | 74.5 | 19% | 0.189 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 123.1 | 174.4 | 180 | -119.6 | 0 | 0 | 0 | 111.1 | G59 L61 I110 V111 T113 | G59-W79 VanDerWaalsContact C-CH2 3.46Å; G59-W79 VanDerWaalsContact CA-CZ2 3.41Å; G59-W79 VanDerWaalsContact N-CH2 3.26Å; G59-W79 VanDerWaalsContact N-CZ2 3.29Å; G59-W79 WeakPolarHBondContact O-CH2 3.48Å; G59-W79 WeakPolarHBondContact O-CZ3 3.48Å; L61-W79 HydrophobicContact CB-CE3 3.92Å; L61-W79 HydrophobicContact CB-CZ3 4.02Å; L61-W79 HydrophobicContact CD1-CB 4.26Å; L61-W79 HydrophobicContact CD1-CD2 4.41Å; L61-W79 HydrophobicContact CD1-CE3 3.62Å; L61-W79 HydrophobicContact CD1-CZ3 4.3Å; L61-W79 HydrophobicContact CG-CE3 4.41Å; W79-I110 HydrophobicContact CB-CG2 4.27Å; W79-I110 HydrophobicContact CD2-CB 4.23Å; W79-I110 HydrophobicContact CD2-CG2 3.66Å; W79-I110 VanDerWaalsContact CE2-O 3.28Å; W79-I110 HydrophobicContact CE3-CB 4.27Å; W79-I110 HydrophobicContact CE3-CG2 3.97Å; W79-I110 HydrophobicContact CG-CG2 3.85Å; W79-I110 HydrophobicContact CH2-CB 4.15Å; W79-I110 HydrophobicContact CZ2-CB 4.15Å; W79-I110 HydrophobicContact CZ2-CG2 4.41Å; W79-I110 WeakPolarHBondContact CZ2-O 3.26Å; W79-I110 HydrophobicContact CZ3-CB 4.23Å; W79-I110 HydrophobicContact CZ3-CG2 4.44Å; W79-I110 PolarHBondContact NE1-O 3.38Å; W79-V111 VanDerWaalsContact CD1-O 3.29Å; W79-V111 PolarHBondContact NE1-O 3.26Å; W79-T113 HydrophobicContact CB-CG2 3.82Å |
| 80 | L | 95.5 | Very high | 93.5 | Very high | 34 Ų | 34 | 72.8 Ų | 72.8 | 18% | 0.178 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 102.8 | 178.5 | -62.7 | 179.7 | 0 | 0 | 0 | 110.3 | G59 L60 I62 V78 L82 L97 V125 | G59-L80 CarbonylContact C-O 3.59Å; G59-L80 WeakPolarHBondContact CA-O 3.39Å; L60-L80 HydrophobicContact CB-CB 4.39Å; L60-L80 PolarHBondContact N-O 3.09Å; L60-L80 PolarHBondContact O-N 3.38Å; I62-L80 HydrophobicContact CD1-CD1 4.1Å; V78-L80 HydrophobicContact CG1-CD2 4.07Å; V78-L80 HydrophobicContact CG1-CG 4.13Å; L80-L82 PolarHBondContact O-N 3.22Å; L80-L97 HydrophobicContact CD1-CD1 3.97Å; L80-L97 HydrophobicContact CD1-CD2 4.4Å; L80-L97 HydrophobicContact CD2-CD2 4.16Å; L80-V125 HydrophobicContact CD1-CG2 4.06Å |
| 81 | P | 94.8 | Very high | 93.1 | Very high | 41 Ų | 41 | 67.8 Ų | 67.8 | 27% | 0.266 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 130.5 | 174 | -27.8 | 36.7 | 0 | 0 | 0 | 112.1 | N83 K84 | P81-N83 VanDerWaalsContact C-N 3.25Å; P81-N83 WeakPolarHBondContact CB-OD1 3.37Å; P81-N83 PolarHBondContact O-N 3.35Å; P81-K84 HydrophobicContact CB-CG 4.44Å; P81-K84 PolarHBondContact O-N 3.44Å |
| 82 | L | 94.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -62.7 | -34.5 | -172.6 | -66.6 | 179.7 | 0 | 0 | 0 | 112.4 | L4 L28 T53 R55 M56 G58 L60 L80 K84 I85 F127 | L4-L82 HydrophobicContact CD2-CD2 3.82Å; L28-L82 HydrophobicContact CD1-CD1 4.07Å; L28-L82 HydrophobicContact CD1-CD2 3.83Å; L28-L82 HydrophobicContact CD1-CG 4.39Å; T53-L82 HydrophobicContact CG2-CD1 4.26Å; R55-L82 WeakPolarHBondContact O-CD1 3.39Å; M56-L82 HydrophobicContact CE-CD1 4.4Å; M56-L82 HydrophobicContact SD-CB 4.44Å; G58-L82 WeakPolarHBondContact O-CB 3.32Å; G58-L82 WeakPolarHBondContact O-CG 3.27Å; G58-L82 PolarHBondContact O-N 2.91Å; L60-L82 HydrophobicContact CB-CD2 4.37Å; L80-L82 PolarHBondContact O-N 3.22Å; L82-K84 PolarHBondContact O-N 3.27Å; L82-I85 HydrophobicContact CD2-CD1 3.72Å; L82-I85 WeakPolarHBondContact O-CB 3.43Å; L82-I85 PolarHBondContact O-N 2.9Å; L82-I85 VanDerWaalsContact O-N 3.09Å; L82-F127 HydrophobicContact CB-CZ 4.37Å; L82-F127 HydrophobicContact CD2-CZ 4.26Å |
| 83 | N | 91.8 | Very high | 92.1 | Very high | 122 Ų | 122 | 65 Ų | 65 | 65% | 0.652 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -63.7 | -13.6 | 176.3 | 64.9 | -9.7 | 0 | 0 | 0 | 114.7 | P81 | P81-N83 VanDerWaalsContact C-N 3.25Å; P81-N83 WeakPolarHBondContact CB-OD1 3.37Å; P81-N83 PolarHBondContact O-N 3.35Å |
| 84 | K | 91.3 | Very high | 92 | Very high | 118 Ų | 118 | 59.4 Ų | 59.4 | 51% | 0.513 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -94.8 | -3 | 174 | -65.5 | -170 | 175.3 | -169.7 | 0 | 113.6 | P81 L82 | P81-K84 HydrophobicContact CB-CG 4.44Å; P81-K84 PolarHBondContact O-N 3.44Å; L82-K84 PolarHBondContact O-N 3.27Å |
| 85 | I | 92.9 | Very high | 91.9 | Very high | 17 Ų | 17 | 60.5 Ų | 60.5 | 9% | 0.087 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -86 | 127 | -176.3 | -60.7 | 171.3 | 0 | 0 | 0 | 111 | L4 L82 V125 F127 | L4-I85 HydrophobicContact CD1-CD1 3.77Å; L4-I85 HydrophobicContact CD1-CG2 3.92Å; L4-I85 HydrophobicContact CD2-CD1 4.48Å; L82-I85 HydrophobicContact CD2-CD1 3.72Å; L82-I85 WeakPolarHBondContact O-CB 3.43Å; L82-I85 PolarHBondContact O-N 2.9Å; L82-I85 VanDerWaalsContact O-N 3.09Å; I85-V125 HydrophobicContact CD1-CG1 3.68Å; I85-V125 HydrophobicContact CG1-CG1 4.03Å; I85-V125 HydrophobicContact CG2-CG1 3.88Å; I85-F127 HydrophobicContact CB-CD2 3.94Å; I85-F127 HydrophobicContact CB-CE2 3.84Å; I85-F127 HydrophobicContact CD1-CE2 4.41Å; I85-F127 HydrophobicContact CG2-CD2 3.73Å; I85-F127 HydrophobicContact CG2-CE2 4.03Å |
| 86 | L | 91.2 | Very high | 91.9 | Very high | 133 Ų | 133 | 63.2 Ų | 63.2 | 70% | 0.696 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 145.6 | 179.5 | -63 | 177.7 | 0 | 0 | 0 | 112.4 | R126 F127 | L86-R126 WeakPolarHBondContact O-CA 3.44Å; L86-F127 PolarHBondContact O-N 2.88Å |
| 87 | H | 91.5 | Very high | 91.9 | Very high | 110 Ų | 110 | 63.9 Ų | 63.9 | 51% | 0.509 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -92.3 | 124.2 | 173.3 | -70 | 52.3 | 0 | 0 | 0 | 109.7 | F127 I129 | H87-F127 CarbonylContact C-O 3.59Å; H87-F127 VanDerWaalsContact CA-O 3.32Å; H87-F127 WeakPolarHBondContact CA-O 3.42Å; H87-F127 HydrophobicContact CB-CB 4.38Å; H87-F127 AromaticContact CE1-CD2 3.49Å; H87-F127 VanDerWaalsContact CE1-CD2 3.49Å; H87-F127 WeakPolarHBondContact CE1-CD2 3.35Å; H87-F127 AromaticContact CE1-CG 3.85Å; H87-F127 AromaticContact ND1-CD2 3.84Å; H87-F127 AromaticContact NE2-CG 3.99Å; H87-I129 HydrophobicContact CB-CD1 4.17Å; H87-I129 HydrophobicContact CB-CG1 3.97Å |
| 88 | S | 89.4 | Confident | 91.9 | Very high | 35 Ų | 35 | 69 Ų | 69 | 25% | 0.245 | 37% | 0.37 | C | S | . | . | trans | -162.6 | 140.9 | -175.3 | 179.1 | 0 | 0 | 0 | 0 | 112.2 | K90 R126 F127 | S88-K90 PolarHBondContact OG-N 2.87Å; S88-K90 PolarHBondContact OG-O 3.13Å; S88-R126 WeakPolarHBondContact O-CD 3.5Å; S88-F127 PolarHBondContact N-O 3.48Å | ||
| 89 | N | 87.6 | Confident | 91.9 | Very high | 74 Ų | 74 | 68.6 Ų | 68.6 | 40% | 0.396 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -95.2 | 0.7 | 167.3 | -66.6 | 9.8 | 0 | 0 | 0 | 112.4 | I129 | N89-I129 PolarHBondContact ND2-O 2.87Å; N89-I129 WeakPolarHBondContact OD1-CA 3.33Å; N89-I129 WeakPolarHBondContact OD1-CB 3.4Å; N89-I129 PolarHBondContact OD1-N 3.33Å; N89-I129 PolarHBondContact OD1-O 3.01Å |
| 90 | K | 85.9 | Confident | 91.9 | Very high | 134 Ų | 134 | 67.6 Ų | 67.6 | 58% | 0.583 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -101.5 | 131.1 | 172.4 | -62.5 | -175.9 | -179 | -177.4 | 0 | 109.5 | S88 G92 R126 C192 | S88-K90 PolarHBondContact OG-N 2.87Å; S88-K90 PolarHBondContact OG-O 3.13Å; K90-G92 PolarHBondContact O-N 2.87Å; K90-R126 WeakPolarHBondContact O-CD 3.47Å; K90-C192 PolarHBondContact NZ-SG 3.44Å |
| 91 | D | 84.7 | Confident | 92 | Very high | 68 Ų | 68 | 68.1 Ų | 68.1 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | trans | -60.2 | 127.8 | 160.3 | -84.9 | -1.2 | 0 | 0 | 0 | 109.2 | K7 R126 | K7-D91 IonicContact NZ-OD2 3.62Å; K7-D91 PolarHBondContact NZ-OD2 2.71Å; D91-R126 IonicContact OD1-CZ 2.73Å; D91-R126 VanDerWaalsContact OD1-CZ 3.24Å; D91-R126 IonicContact OD1-NE 3.59Å; D91-R126 PolarHBondContact OD1-NE 2.91Å; D91-R126 IonicContact OD1-NH2 3.4Å; D91-R126 PolarHBondContact OD1-NH2 2.85Å | ||
| 92 | G | 82 | Confident | 92 | Very high | 43 Ų | 43 | 70.7 Ų | 70.7 | 44% | 0.443 | 38% | 0.38 | S | S | . | . | trans | -80.7 | 178.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K90 G94 T124 | K90-G92 PolarHBondContact O-N 2.87Å; G92-G94 PolarHBondContact O-N 3.43Å; G92-T124 VanDerWaalsContact O-CG2 3.28Å; G92-T124 WeakPolarHBondContact O-CG2 3.3Å | ||
| 93 | P | 86.7 | Confident | 92 | Very high | 131 Ų | 131 | 72.5 Ų | 72.5 | 85% | 0.851 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -66.6 | -16 | 175.4 | 29.2 | -35.8 | 0 | 0 | 0 | 113.5 | ||
| 94 | G | 91.6 | Very high | 92.1 | Very high | 26 Ų | 26 | 68.9 Ų | 68.9 | 27% | 0.268 | 38% | 0.378 | S | S | . | . | trans | 96.8 | 162.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G92 A123 | G92-G94 PolarHBondContact O-N 3.43Å; G94-A123 CarbonylContact C-O 3.59Å; G94-A123 VanDerWaalsContact CA-O 3.26Å; G94-A123 WeakPolarHBondContact CA-O 3.47Å | ||
| 95 | M | 94.4 | Very high | 92.2 | Very high | 95 Ų | 95 | 67.6 Ų | 67.6 | 47% | 0.468 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 145.6 | 169.1 | 57.7 | 179.1 | 62.9 | 0 | 0 | 109.1 | L97 L122 A123 | M95-L97 HydrophobicContact CG-CD2 3.92Å; M95-L97 HydrophobicContact CG-CG 4.31Å; M95-L97 HydrophobicContact SD-CD2 3.74Å; M95-L122 WeakPolarHBondContact O-CA 3.23Å; M95-A123 PolarHBondContact N-O 3.18Å; M95-A123 PolarHBondContact O-N 2.86Å |
| 96 | W | 96.4 | Very high | 92.2 | Very high | 80 Ų | 80 | 72.5 Ų | 72.5 | 30% | 0.303 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 122.5 | 169.3 | -73.9 | 97.8 | 0 | 0 | 0 | 109.1 | E10 R12 C121 L122 | E10-W96 HydrophobicContact CG-CH2 3.81Å; E10-W96 HydrophobicContact CG-CZ2 4.41Å; E10-W96 WeakPolarHBondContact OE1-CH2 3.41Å; R12-W96 HydrophobicContact CB-CZ3 4.27Å; R12-W96 HydrophobicContact CG-CH2 3.66Å; R12-W96 HydrophobicContact CG-CZ3 3.69Å; W96-C121 WeakPolarHBondContact CA-O 3.41Å; W96-L122 HydrophobicContact CD2-CB 4.06Å; W96-L122 HydrophobicContact CD2-CD1 4.42Å; W96-L122 HydrophobicContact CE3-CB 4.1Å; W96-L122 HydrophobicContact CG-CD1 4.43Å; W96-L122 HydrophobicContact CH2-CB 3.84Å; W96-L122 HydrophobicContact CZ2-CB 3.8Å; W96-L122 HydrophobicContact CZ2-CD2 4.18Å; W96-L122 HydrophobicContact CZ2-CG 4.42Å; W96-L122 HydrophobicContact CZ3-CB 4Å |
| 97 | L | 96.3 | Very high | 92.1 | Very high | 15 Ų | 15 | 73.3 Ų | 73.3 | 8% | 0.079 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 113.4 | 175.7 | -59.8 | 176.9 | 0 | 0 | 0 | 108 | I62 V78 L80 M95 S120 C121 A123 | I62-L97 HydrophobicContact CD1-CD1 3.81Å; V78-L97 HydrophobicContact CG1-CB 4.44Å; V78-L97 HydrophobicContact CG2-CB 4.3Å; L80-L97 HydrophobicContact CD1-CD1 3.97Å; L80-L97 HydrophobicContact CD1-CD2 4.4Å; L80-L97 HydrophobicContact CD2-CD2 4.16Å; M95-L97 HydrophobicContact CG-CD2 3.92Å; M95-L97 HydrophobicContact CG-CG 4.31Å; M95-L97 HydrophobicContact SD-CD2 3.74Å; L97-S120 CarbonylContact O-C 3.51Å; L97-S120 WeakPolarHBondContact O-CA 2.99Å; L97-S120 WeakPolarHBondContact O-CB 3.39Å; L97-C121 PolarHBondContact N-O 2.93Å; L97-C121 PolarHBondContact O-N 3.08Å; L97-A123 HydrophobicContact CD1-CB 4.11Å |
| 98 | N | 96.9 | Very high | 92 | Very high | 111 Ų | 111 | 71.7 Ų | 71.7 | 59% | 0.594 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 127.9 | 174.4 | -65.2 | -27.3 | 0 | 0 | 0 | 109.2 | V78 S120 | V78-N98 WeakPolarHBondContact CG2-O 3.49Å; N98-S120 WeakPolarHBondContact OD1-CB 3.31Å |
| 99 | F | 97.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 76.5 Ų | 76.5 | 0% | 0.004 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 135.6 | -179.6 | -72.5 | -85.9 | 0 | 0 | 0 | 111.3 | I24 I62 L64 V78 T117 H119 C121 | I24-F99 HydrophobicContact CD1-CZ 4.1Å; I62-F99 HydrophobicContact CG2-CE1 4.12Å; I62-F99 HydrophobicContact CG2-CZ 4.28Å; L64-F99 HydrophobicContact CB-CD1 4.04Å; L64-F99 HydrophobicContact CB-CD2 4.39Å; L64-F99 HydrophobicContact CB-CE1 3.7Å; L64-F99 HydrophobicContact CB-CE2 4.06Å; L64-F99 HydrophobicContact CB-CG 4.4Å; L64-F99 HydrophobicContact CB-CZ 3.72Å; L64-F99 HydrophobicContact CD2-CD2 4.31Å; L64-F99 HydrophobicContact CD2-CE2 4.31Å; V78-F99 HydrophobicContact CG2-CB 4.37Å; V78-F99 HydrophobicContact CG2-CD1 3.61Å; V78-F99 HydrophobicContact CG2-CE1 4.02Å; V78-F99 HydrophobicContact CG2-CG 4Å; F99-T117 WeakPolarHBondContact O-CA 3.21Å; F99-T117 VanDerWaalsContact O-CB 3.32Å; F99-T117 WeakPolarHBondContact O-CB 3.41Å; F99-T117 PolarHBondContact O-N 2.86Å; F99-T117 PolarHBondContact O-OG1 2.85Å; F99-H119 HydrophobicContact CB-CB 4.34Å; F99-H119 HydrophobicContact CD2-CB 4.13Å; F99-H119 PolarHBondContact N-O 3.42Å; F99-C121 HydrophobicContact CE2-CB 3.74Å; F99-C121 VanDerWaalsContact CE2-SG 3.59Å; F99-C121 HydrophobicContact CZ-CB 4.08Å; F99-C121 WeakPolarHBondContact CZ-SG 3.36Å |
| 100 | D | 97.6 | Very high | 92.1 | Very high | 30 Ų | 30 | 75 Ų | 75 | 16% | 0.16 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 164.4 | 163.5 | -87.4 | -44.3 | 0 | 0 | 0 | 110.6 | G76 V77 T113 K114 T115 A116 | G76-D100 CarbonylContact C-O 3.48Å; G76-D100 WeakPolarHBondContact CA-O 3.3Å; V77-D100 PolarHBondContact N-O 2.88Å; V77-D100 PolarHBondContact O-N 2.94Å; D100-T113 WeakPolarHBondContact OD2-CB 3.43Å; D100-T113 PolarHBondContact OD2-OG1 2.9Å; D100-K114 WeakPolarHBondContact CB-O 3.47Å; D100-K114 VanDerWaalsContact CG-C 3.44Å; D100-K114 PolarHBondContact OD2-N 3.33Å; D100-T115 CarbonylContact C-O 3.52Å; D100-T115 PolarHBondContact OD1-N 2.91Å; D100-A116 VanDerWaalsContact OD1-CA 3.22Å; D100-A116 WeakPolarHBondContact OD1-CA 3.46Å; D100-A116 PolarHBondContact OD1-N 2.73Å |
| 101 | S | 96 | Very high | 92.4 | Very high | 45 Ų | 45 | 71.7 Ų | 71.7 | 32% | 0.315 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -23 | 178.2 | 51.2 | 0 | 0 | 0 | 0 | 113.6 | K114 T115 | S101-K114 PolarHBondContact N-O 2.87Å; S101-T115 PolarHBondContact N-O 3.28Å; S101-T115 VanDerWaalsContact OG-CB 3.3Å; S101-T115 WeakPolarHBondContact OG-CB 3.18Å; S101-T115 WeakPolarHBondContact OG-CG2 3.33Å; S101-T115 PolarHBondContact OG-O 2.97Å |
| 102 | E | 95.1 | Very high | 92.9 | Very high | 95 Ų | 95 | 70.5 Ų | 70.5 | 44% | 0.444 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 145.7 | -176.4 | -69.3 | 179.3 | -121.3 | 0 | 0 | 112.7 | T113 K114 | E102-T113 CarbonylContact O-C 3.51Å; E102-T113 VanDerWaalsContact O-CA 3.3Å; E102-T113 WeakPolarHBondContact O-CA 3.33Å; E102-T113 WeakPolarHBondContact O-CB 3.3Å; E102-K114 HydrophobicContact CB-CG 3.97Å; E102-K114 PolarHBondContact N-O 2.89Å; E102-K114 PolarHBondContact O-N 3.41Å; E102-K114 IonicContact OE1-NZ 2.91Å; E102-K114 PolarHBondContact OE1-NZ 3.44Å; E102-K114 WeakPolarHBondContact OE2-CE 3.16Å; E102-K114 IonicContact OE2-NZ 3.28Å; E102-K114 PolarHBondContact OE2-NZ 2.67Å |
| 103 | A | 94.5 | Very high | 93.5 | Very high | 39 Ų | 39 | 70 Ų | 70 | 32% | 0.322 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 136 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V77 I110 T113 | V77-A103 HydrophobicContact CG1-CB 4.32Å; A103-I110 HydrophobicContact CB-CD1 4.27Å; A103-I110 HydrophobicContact CB-CG1 4.47Å; A103-I110 HydrophobicContact CB-CG2 4.25Å; A103-T113 HydrophobicContact CB-CG2 4.45Å |
| 104 | V | 94.5 | Very high | 94 | Very high | 47 Ų | 47 | 67.8 Ų | 67.8 | 29% | 0.285 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 123.3 | 175.6 | -176 | 0 | 0 | 0 | 0 | 108.7 | I110 V111 A112 K114 | V104-I110 WeakPolarHBondContact O-CA 3.39Å; V104-V111 HydrophobicContact CB-CG2 4.37Å; V104-V111 HydrophobicContact CG1-CG2 3.99Å; V104-V111 WeakPolarHBondContact O-CG2 3.12Å; V104-V111 PolarHBondContact O-N 3.32Å; V104-A112 HydrophobicContact CB-CB 4.17Å; V104-A112 HydrophobicContact CG2-CB 4.41Å; V104-A112 PolarHBondContact N-O 3.05Å; V104-A112 PolarHBondContact O-N 3.28Å; V104-K114 HydrophobicContact CG2-CB 3.92Å; V104-K114 HydrophobicContact CG2-CD 3.74Å; V104-K114 HydrophobicContact CG2-CG 3.75Å |
| 105 | T | 93.8 | Very high | 94.1 | Very high | 90 Ų | 90 | 70.6 Ų | 70.6 | 55% | 0.552 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 141.7 | 177.5 | 49.1 | 0 | 0 | 0 | 0 | 112.4 | Q109 I110 | T105-Q109 CarbonylContact C-O 3.55Å; T105-Q109 WeakPolarHBondContact CA-O 3.38Å; T105-I110 HydrophobicContact CG2-CG1 3.77Å |
| 106 | E | 91.9 | Very high | 94.2 | Very high | 121 Ų | 121 | 70.1 Ų | 70.1 | 57% | 0.565 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 130.2 | 171.3 | -167 | -173 | 164.1 | 0 | 0 | 107.7 | G108 Q109 V111 | E106-G108 PolarHBondContact O-N 2.99Å; E106-Q109 PolarHBondContact N-O 3.34Å; E106-Q109 PolarHBondContact O-N 2.9Å; E106-V111 HydrophobicContact CB-CG1 3.78Å; E106-V111 HydrophobicContact CB-CG2 4.06Å |
| 107 | N | 90.4 | Very high | 94.1 | Very high | 150 Ų | 150 | 67.9 Ų | 67.9 | 80% | 0.802 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 34.8 | -177.7 | -55.3 | -48.1 | 0 | 0 | 0 | 114 | Q109 | N107-Q109 VanDerWaalsContact C-N 3.27Å; N107-Q109 PolarHBondContact O-N 3.49Å |
| 108 | G | 88.2 | Confident | 94 | Very high | 76 Ų | 76 | 73.9 Ų | 73.9 | 78% | 0.784 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78 | -2.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | E106 | E106-G108 PolarHBondContact O-N 2.99Š|
| 109 | Q | 88.3 | Confident | 94 | Very high | 135 Ų | 135 | 70 Ų | 70 | 63% | 0.631 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 145.1 | 177.2 | -56.9 | -172.7 | 37.1 | 0 | 0 | 110.4 | T105 E106 N107 | T105-Q109 CarbonylContact C-O 3.55Å; T105-Q109 WeakPolarHBondContact CA-O 3.38Å; E106-Q109 PolarHBondContact N-O 3.34Å; E106-Q109 PolarHBondContact O-N 2.9Å; N107-Q109 VanDerWaalsContact C-N 3.27Å; N107-Q109 PolarHBondContact O-N 3.49Å |
| 110 | I | 92.4 | Very high | 94 | Very high | 42 Ų | 42 | 70.7 Ų | 70.7 | 22% | 0.215 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 129.9 | 174.6 | -60 | 173 | 0 | 0 | 0 | 108.2 | L61 W79 A103 V104 T105 | L61-I110 HydrophobicContact CD1-CD1 3.63Å; L61-I110 HydrophobicContact CD1-CG2 4.2Å; L61-I110 HydrophobicContact CD2-CD1 3.56Å; L61-I110 HydrophobicContact CG-CD1 4.17Å; W79-I110 HydrophobicContact CB-CG2 4.27Å; W79-I110 HydrophobicContact CD2-CB 4.23Å; W79-I110 HydrophobicContact CD2-CG2 3.66Å; W79-I110 VanDerWaalsContact CE2-O 3.28Å; W79-I110 HydrophobicContact CE3-CB 4.27Å; W79-I110 HydrophobicContact CE3-CG2 3.97Å; W79-I110 HydrophobicContact CG-CG2 3.85Å; W79-I110 HydrophobicContact CH2-CB 4.15Å; W79-I110 HydrophobicContact CZ2-CB 4.15Å; W79-I110 HydrophobicContact CZ2-CG2 4.41Å; W79-I110 WeakPolarHBondContact CZ2-O 3.26Å; W79-I110 HydrophobicContact CZ3-CB 4.23Å; W79-I110 HydrophobicContact CZ3-CG2 4.44Å; W79-I110 PolarHBondContact NE1-O 3.38Å; A103-I110 HydrophobicContact CB-CD1 4.27Å; A103-I110 HydrophobicContact CB-CG1 4.47Å; A103-I110 HydrophobicContact CB-CG2 4.25Å; V104-I110 WeakPolarHBondContact O-CA 3.39Å; T105-I110 HydrophobicContact CG2-CG1 3.77Å |
| 111 | V | 92.2 | Very high | 93.9 | Very high | 66 Ų | 66 | 69.3 Ų | 69.3 | 40% | 0.4 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | -32.4 | -179.9 | -68.2 | 0 | 0 | 0 | 0 | 112.4 | W79 V104 E106 | W79-V111 VanDerWaalsContact CD1-O 3.29Å; W79-V111 PolarHBondContact NE1-O 3.26Å; V104-V111 HydrophobicContact CB-CG2 4.37Å; V104-V111 HydrophobicContact CG1-CG2 3.99Å; V104-V111 WeakPolarHBondContact O-CG2 3.12Å; V104-V111 PolarHBondContact O-N 3.32Å; E106-V111 HydrophobicContact CB-CG1 3.78Å; E106-V111 HydrophobicContact CB-CG2 4.06Å |
| 112 | A | 93.3 | Very high | 94 | Very high | 42 Ų | 42 | 68.5 Ų | 68.5 | 35% | 0.347 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | -177.4 | 180 | 0 | 0 | 0 | 0 | 0 | 110.6 | V104 | V104-A112 HydrophobicContact CB-CB 4.17Å; V104-A112 HydrophobicContact CG2-CB 4.41Å; V104-A112 PolarHBondContact N-O 3.05Å; V104-A112 PolarHBondContact O-N 3.28Å |
| 113 | T | 96.4 | Very high | 94.1 | Very high | 32 Ų | 32 | 64 Ų | 64 | 20% | 0.196 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 166.2 | 165.1 | 50.1 | 0 | 0 | 0 | 0 | 109.5 | V77 W79 D100 E102 A103 | V77-T113 HydrophobicContact CG1-CG2 3.88Å; V77-T113 HydrophobicContact CG2-CG2 4.19Å; W79-T113 HydrophobicContact CB-CG2 3.82Å; D100-T113 WeakPolarHBondContact OD2-CB 3.43Å; D100-T113 PolarHBondContact OD2-OG1 2.9Å; E102-T113 CarbonylContact O-C 3.51Å; E102-T113 VanDerWaalsContact O-CA 3.3Å; E102-T113 WeakPolarHBondContact O-CA 3.33Å; E102-T113 WeakPolarHBondContact O-CB 3.3Å; A103-T113 HydrophobicContact CB-CG2 4.45Å |
| 114 | K | 95.5 | Very high | 94.1 | Very high | 86 Ų | 86 | 62.6 Ų | 62.6 | 37% | 0.374 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 158.8 | -180 | 67.8 | 179.1 | 173.5 | 86.7 | 0 | 113.7 | D100 S101 E102 V104 | D100-K114 WeakPolarHBondContact CB-O 3.47Å; D100-K114 VanDerWaalsContact CG-C 3.44Å; D100-K114 PolarHBondContact OD2-N 3.33Å; S101-K114 PolarHBondContact N-O 2.87Å; E102-K114 HydrophobicContact CB-CG 3.97Å; E102-K114 PolarHBondContact N-O 2.89Å; E102-K114 PolarHBondContact O-N 3.41Å; E102-K114 IonicContact OE1-NZ 2.91Å; E102-K114 PolarHBondContact OE1-NZ 3.44Å; E102-K114 WeakPolarHBondContact OE2-CE 3.16Å; E102-K114 IonicContact OE2-NZ 3.28Å; E102-K114 PolarHBondContact OE2-NZ 2.67Å; V104-K114 HydrophobicContact CG2-CB 3.92Å; V104-K114 HydrophobicContact CG2-CD 3.74Å; V104-K114 HydrophobicContact CG2-CG 3.75Å |
| 115 | T | 95.4 | Very high | 94.2 | Very high | 85 Ų | 85 | 61.3 Ų | 61.3 | 52% | 0.521 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 66.8 | 84.6 | 176.7 | -47 | 0 | 0 | 0 | 0 | 112 | D100 S101 T117 | D100-T115 CarbonylContact C-O 3.52Å; D100-T115 PolarHBondContact OD1-N 2.91Å; S101-T115 PolarHBondContact N-O 3.28Å; S101-T115 VanDerWaalsContact OG-CB 3.3Å; S101-T115 WeakPolarHBondContact OG-CB 3.18Å; S101-T115 WeakPolarHBondContact OG-CG2 3.33Å; S101-T115 PolarHBondContact OG-O 2.97Å; T115-T117 PolarHBondContact O-N 3.44Å |
| 116 | A | 94.9 | Very high | 94.2 | Very high | 85 Ų | 85 | 58.3 Ų | 58.3 | 70% | 0.702 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 133.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D100 | D100-A116 VanDerWaalsContact OD1-CA 3.22Å; D100-A116 WeakPolarHBondContact OD1-CA 3.46Å; D100-A116 PolarHBondContact OD1-N 2.73Å |
| 117 | T | 95.4 | Very high | 94.3 | Very high | 32 Ų | 32 | 52.6 Ų | 52.6 | 20% | 0.196 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 169.4 | 170.7 | 74.7 | 0 | 0 | 0 | 0 | 110.6 | F99 T115 H119 | F99-T117 WeakPolarHBondContact O-CA 3.21Å; F99-T117 VanDerWaalsContact O-CB 3.32Å; F99-T117 WeakPolarHBondContact O-CB 3.41Å; F99-T117 PolarHBondContact O-N 2.86Å; F99-T117 PolarHBondContact O-OG1 2.85Å; T115-T117 PolarHBondContact O-N 3.44Å; T117-H119 PolarHBondContact O-N 2.86Å; T117-H119 PolarHBondContact OG1-N 3.33Å |
| 118 | K | 93.9 | Very high | 94.4 | Very high | 141 Ų | 141 | 48.9 Ų | 48.9 | 61% | 0.613 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 42.3 | 172.4 | -53.2 | -168.4 | -171.6 | -177.4 | 0 | 112 | E14 | E14-K118 HydrophobicContact CB-CB 3.82Å; E14-K118 HydrophobicContact CB-CD 4.45Å; E14-K118 WeakPolarHBondContact CB-O 3.39Å; E14-K118 HydrophobicContact CG-CD 4.43Å; E14-K118 PolarHBondContact N-O 3.44Å; E14-K118 VanDerWaalsContact OE1-CD 3.24Å; E14-K118 WeakPolarHBondContact OE1-CD 3.5Å; E14-K118 IonicContact OE1-NZ 2.64Å; E14-K118 PolarHBondContact OE1-NZ 2.84Å; E14-K118 WeakPolarHBondContact OE2-CD 3.16Å; E14-K118 IonicContact OE2-NZ 3.69Å; E14-K118 PolarHBondContact OE2-NZ 3.2Å |
| 119 | H | 96.4 | Very high | 94.3 | Very high | 29 Ų | 29 | 49.2 Ų | 49.2 | 13% | 0.134 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 138 | 178.2 | -57.2 | -25 | 0 | 0 | 0 | 108.4 | R12 L13 E14 L64 F99 T117 | R12-H119 WeakPolarHBondContact O-CA 3.47Å; L13-H119 HydrophobicContact CD2-CB 4Å; E14-H119 PolarHBondContact O-CE1 3.01Å; L64-H119 HydrophobicContact CD2-CB 3.98Å; F99-H119 HydrophobicContact CB-CB 4.34Å; F99-H119 HydrophobicContact CD2-CB 4.13Å; F99-H119 PolarHBondContact N-O 3.42Å; T117-H119 PolarHBondContact O-N 2.86Å; T117-H119 PolarHBondContact OG1-N 3.33Å |
| 120 | S | 97.2 | Very high | 93.9 | Very high | 17 Ų | 17 | 47.5 Ų | 47.5 | 12% | 0.119 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 153 | 175.4 | 65.2 | 0 | 0 | 0 | 0 | 112.4 | A11 R12 L97 N98 | A11-S120 CarbonylContact C-O 3.57Å; A11-S120 WeakPolarHBondContact CA-O 3.36Å; A11-S120 WeakPolarHBondContact CB-O 2.92Å; R12-S120 PolarHBondContact N-O 2.88Å; R12-S120 PolarHBondContact O-N 2.8Å; L97-S120 CarbonylContact O-C 3.51Å; L97-S120 WeakPolarHBondContact O-CA 2.99Å; L97-S120 WeakPolarHBondContact O-CB 3.39Å; N98-S120 WeakPolarHBondContact OD1-CB 3.31Å |
| 121 | C | 97.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 141.5 | 173.2 | 67.1 | 0 | 0 | 0 | 0 | 113.3 | E10 A11 I24 W96 L97 F99 | E10-C121 CarbonylContact O-C 3.5Å; E10-C121 VanDerWaalsContact O-CA 3.23Å; E10-C121 WeakPolarHBondContact O-CA 3.49Å; E10-C121 WeakPolarHBondContact O-CB 3.28Å; A11-C121 HydrophobicContact CB-CB 3.94Å; I24-C121 HydrophobicContact CD1-CB 3.79Å; W96-C121 WeakPolarHBondContact CA-O 3.41Å; L97-C121 PolarHBondContact N-O 2.93Å; L97-C121 PolarHBondContact O-N 3.08Å; F99-C121 HydrophobicContact CE2-CB 3.74Å; F99-C121 VanDerWaalsContact CE2-SG 3.59Å; F99-C121 HydrophobicContact CZ-CB 4.08Å; F99-C121 WeakPolarHBondContact CZ-SG 3.36Å |
| 122 | L | 97.2 | Very high | 91.7 | Very high | 28 Ų | 28 | 52.5 Ų | 52.5 | 15% | 0.147 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 119.2 | 170.1 | -176.5 | 61.1 | 0 | 0 | 0 | 109.1 | I9 E10 M95 W96 | I9-L122 HydrophobicContact CB-CB 4.37Å; I9-L122 HydrophobicContact CB-CD2 4.35Å; I9-L122 HydrophobicContact CB-CG 4.23Å; I9-L122 WeakPolarHBondContact CB-O 3.33Å; I9-L122 HydrophobicContact CD1-CD2 4.39Å; I9-L122 HydrophobicContact CD1-CG 4.21Å; I9-L122 HydrophobicContact CG2-CD2 4.05Å; I9-L122 HydrophobicContact CG2-CG 4.48Å; I9-L122 PolarHBondContact N-O 3.47Å; E10-L122 HydrophobicContact CG-CB 3.92Å; E10-L122 HydrophobicContact CG-CD2 4.26Å; E10-L122 PolarHBondContact O-N 3.36Å; M95-L122 WeakPolarHBondContact O-CA 3.23Å; W96-L122 HydrophobicContact CD2-CB 4.06Å; W96-L122 HydrophobicContact CD2-CD1 4.42Å; W96-L122 HydrophobicContact CE3-CB 4.1Å; W96-L122 HydrophobicContact CG-CD1 4.43Å; W96-L122 HydrophobicContact CH2-CB 3.84Å; W96-L122 HydrophobicContact CZ2-CB 3.8Å; W96-L122 HydrophobicContact CZ2-CD2 4.18Å; W96-L122 HydrophobicContact CZ2-CG 4.42Å; W96-L122 HydrophobicContact CZ3-CB 4Å |
| 123 | A | 96.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 149.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K7 I8 G94 M95 L97 | K7-A123 CarbonylContact O-C 3.55Å; K7-A123 WeakPolarHBondContact O-CA 3.42Å; K7-A123 WeakPolarHBondContact O-CB 3.38Å; I8-A123 HydrophobicContact CD1-CB 4.08Å; G94-A123 CarbonylContact C-O 3.59Å; G94-A123 VanDerWaalsContact CA-O 3.26Å; G94-A123 WeakPolarHBondContact CA-O 3.47Å; M95-A123 PolarHBondContact N-O 3.18Å; M95-A123 PolarHBondContact O-N 2.86Å; L97-A123 HydrophobicContact CD1-CB 4.11Å |
| 124 | T | 95.5 | Very high | 88.4 | Confident | 10 Ų | 10 | 55.9 Ų | 55.9 | 6% | 0.061 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 141.2 | 158.4 | 66.3 | 0 | 0 | 0 | 0 | 109.3 | I6 K7 I9 G92 | I6-T124 CarbonylContact C-O 3.49Å; I6-T124 WeakPolarHBondContact CA-O 3.44Å; K7-T124 WeakPolarHBondContact CB-OG1 3.48Å; K7-T124 PolarHBondContact N-O 2.95Å; K7-T124 PolarHBondContact O-N 3.43Å; I9-T124 HydrophobicContact CD1-CG2 4.45Å; G92-T124 VanDerWaalsContact O-CG2 3.28Å; G92-T124 WeakPolarHBondContact O-CG2 3.3Å |
| 125 | V | 95.4 | Very high | 86.7 | Confident | 21 Ų | 21 | 56.9 Ų | 56.9 | 13% | 0.127 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 120.1 | 176.1 | -175.3 | 0 | 0 | 0 | 0 | 107.2 | L4 C5 I6 L60 L80 I85 | L4-V125 HydrophobicContact CD1-CG1 4.06Å; C5-V125 WeakPolarHBondContact O-CA 3.45Å; I6-V125 HydrophobicContact CG1-CB 4.46Å; I6-V125 HydrophobicContact CG1-CG1 3.9Å; I6-V125 HydrophobicContact CG1-CG2 4.19Å; I6-V125 HydrophobicContact CG2-CG2 4.31Å; L60-V125 HydrophobicContact CD2-CG1 4.27Å; L80-V125 HydrophobicContact CD1-CG2 4.06Å; I85-V125 HydrophobicContact CD1-CG1 3.68Å; I85-V125 HydrophobicContact CG1-CG1 4.03Å; I85-V125 HydrophobicContact CG2-CG1 3.88Å |
| 126 | R | 94.6 | Very high | 84.9 | Confident | 27 Ų | 27 | 58 Ų | 58 | 10% | 0.102 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 147.3 | -176.1 | 59 | 178.4 | 173.8 | 58.6 | 14.4 | 112 | C5 E48 L86 S88 K90 D91 | C5-R126 HydrophobicContact CB-CG 4.11Å; C5-R126 VanDerWaalsContact CB-NH1 3.27Å; C5-R126 PolarHBondContact N-O 2.99Å; C5-R126 PolarHBondContact O-N 2.97Å; C5-R126 PolarHBondContact SG-NH1 3.41Å; E48-R126 IonicContact OE1-NH2 3.23Å; E48-R126 PolarHBondContact OE1-NH2 3.19Å; L86-R126 WeakPolarHBondContact O-CA 3.44Å; S88-R126 WeakPolarHBondContact O-CD 3.5Å; K90-R126 WeakPolarHBondContact O-CD 3.47Å; D91-R126 IonicContact OD1-CZ 2.73Å; D91-R126 VanDerWaalsContact OD1-CZ 3.24Å; D91-R126 IonicContact OD1-NE 3.59Å; D91-R126 PolarHBondContact OD1-NE 2.91Å; D91-R126 IonicContact OD1-NH2 3.4Å; D91-R126 PolarHBondContact OD1-NH2 2.85Å |
| 127 | F | 94.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 126.9 | 162.7 | -78.2 | -71.2 | 0 | 0 | 0 | 110.4 | P2 L3 L4 T53 M56 L82 I85 L86 H87 S88 | P2-F127 HydrophobicContact CB-CD1 3.96Å; P2-F127 HydrophobicContact CB-CE1 4.45Å; P2-F127 HydrophobicContact CG-CD1 4.26Å; P2-F127 HydrophobicContact CG-CE1 4.25Å; L3-F127 CarbonylContact O-C 3.47Å; L3-F127 VanDerWaalsContact O-CA 3.32Å; L3-F127 WeakPolarHBondContact O-CA 3.35Å; L4-F127 HydrophobicContact CB-CD1 3.97Å; L4-F127 HydrophobicContact CB-CE1 3.69Å; L4-F127 HydrophobicContact CB-CZ 4.42Å; L4-F127 HydrophobicContact CD1-CD1 4.02Å; L4-F127 HydrophobicContact CD1-CD2 4.27Å; L4-F127 HydrophobicContact CD1-CE1 3.86Å; L4-F127 HydrophobicContact CD1-CE2 4.11Å; L4-F127 HydrophobicContact CD1-CG 4.23Å; L4-F127 HydrophobicContact CD1-CZ 3.9Å; L4-F127 HydrophobicContact CG-CE1 4.26Å; T53-F127 HydrophobicContact CG2-CE1 4.18Å; M56-F127 HydrophobicContact CE-CE1 3.91Å; M56-F127 HydrophobicContact CE-CZ 3.66Å; M56-F127 HydrophobicContact SD-CE1 4.13Å; M56-F127 HydrophobicContact SD-CE2 3.78Å; M56-F127 HydrophobicContact SD-CZ 3.45Å; M56-F127 WeakPolarHBondContact SD-CZ 3.2Å; L82-F127 HydrophobicContact CB-CZ 4.37Å; L82-F127 HydrophobicContact CD2-CZ 4.26Å; I85-F127 HydrophobicContact CB-CD2 3.94Å; I85-F127 HydrophobicContact CB-CE2 3.84Å; I85-F127 HydrophobicContact CD1-CE2 4.41Å; I85-F127 HydrophobicContact CG2-CD2 3.73Å; I85-F127 HydrophobicContact CG2-CE2 4.03Å; L86-F127 PolarHBondContact O-N 2.88Å; H87-F127 CarbonylContact C-O 3.59Å; H87-F127 VanDerWaalsContact CA-O 3.32Å; H87-F127 WeakPolarHBondContact CA-O 3.42Å; H87-F127 HydrophobicContact CB-CB 4.38Å; H87-F127 AromaticContact CE1-CD2 3.49Å; H87-F127 VanDerWaalsContact CE1-CD2 3.49Å; H87-F127 WeakPolarHBondContact CE1-CD2 3.35Å; H87-F127 AromaticContact CE1-CG 3.85Å; H87-F127 AromaticContact ND1-CD2 3.84Å; H87-F127 AromaticContact NE2-CG 3.99Å; S88-F127 PolarHBondContact N-O 3.48Å |
| 128 | E | 92.4 | Very high | 81.7 | Confident | 73 Ų | 73 | 62 Ų | 62 | 34% | 0.341 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 130.5 | 173 | -162.8 | -178.3 | 163.5 | 0 | 0 | 110.3 | L3 | L3-E128 HydrophobicContact CB-CB 4.11Å; L3-E128 PolarHBondContact O-N 3.48Å |
| 129 | I | 85.2 | Confident | 80.1 | Confident | 82 Ų | 82 | 58.6 Ų | 58.6 | 42% | 0.421 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -86.9 | 122.8 | 176.3 | -55.9 | 170.9 | 0 | 0 | 0 | 107.7 | H87 N89 D131 | H87-I129 HydrophobicContact CB-CD1 4.17Å; H87-I129 HydrophobicContact CB-CG1 3.97Å; N89-I129 PolarHBondContact ND2-O 2.87Å; N89-I129 WeakPolarHBondContact OD1-CA 3.33Å; N89-I129 WeakPolarHBondContact OD1-CB 3.4Å; N89-I129 PolarHBondContact OD1-N 3.33Å; N89-I129 PolarHBondContact OD1-O 3.01Å; I129-D131 PolarHBondContact O-N 3.46Å |
| 130 | P | 79.5 | Confident | 78.1 | Confident | 99 Ų | 99 | 62 Ų | 62 | 64% | 0.643 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 125.6 | 177.1 | -26.8 | 35.6 | 0 | 0 | 0 | 112 | D132 | P130-D132 PolarHBondContact O-N 3.19Š|
| 131 | D | 72.2 | Confident | 76.2 | Confident | 83 Ų | 83 | 65.2 Ų | 65.2 | 44% | 0.444 | 34% | 0.34 | S | S | . | . | trans | -66.9 | 103.5 | -176.2 | -143.6 | 59.4 | 0 | 0 | 0 | 110.2 | I129 S133 L134 | I129-D131 PolarHBondContact O-N 3.46Å; D131-S133 PolarHBondContact O-N 3.39Å; D131-S133 PolarHBondContact OD2-OG 3.2Å; D131-L134 HydrophobicContact CB-CD1 4.22Å; D131-L134 HydrophobicContact CB-CG 4.42Å; D131-L134 WeakPolarHBondContact O-CB 3.47Å; D131-L134 PolarHBondContact O-N 3.11Å | ||
| 132 | D | 66.8 | Low | 74.3 | Confident | 131 Ų | 131 | 72 Ų | 72 | 70% | 0.701 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -51.2 | -31.2 | 178.1 | -87.4 | -35.4 | 0 | 0 | 0 | 111.8 | P130 L134 L135 E136 | P130-D132 PolarHBondContact O-N 3.19Å; D132-L134 PolarHBondContact O-N 2.8Å; D132-L135 PolarHBondContact O-N 3.42Å; D132-L135 VanDerWaalsContact O-N 3.14Å; D132-E136 WeakPolarHBondContact O-CB 3.35Å; D132-E136 PolarHBondContact O-N 3.1Å |
| 133 | S | 59.9 | Low | 72 | Confident | 44 Ų | 44 | 78.6 Ų | 78.6 | 31% | 0.308 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.9 | -31.1 | 175.9 | 96.3 | 0 | 0 | 0 | 0 | 113.1 | D131 K137 | D131-S133 PolarHBondContact O-N 3.39Å; D131-S133 PolarHBondContact OD2-OG 3.2Å; S133-K137 VanDerWaalsContact O-CB 3.3Å; S133-K137 WeakPolarHBondContact O-CB 3.4Å; S133-K137 WeakPolarHBondContact O-CD 3.45Å; S133-K137 WeakPolarHBondContact O-CE 3.23Å; S133-K137 WeakPolarHBondContact O-CG 3.22Å; S133-K137 PolarHBondContact O-N 2.91Å; S133-K137 PolarHBondContact OG-NZ 3.22Å |
| 134 | L | 59.9 | Low | 69.7 | Low | 101 Ų | 101 | 86.7 Ų | 86.7 | 53% | 0.529 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -77.1 | -42.1 | 174.2 | -77.4 | 171 | 0 | 0 | 0 | 111.5 | D131 D132 E136 K137 I138 | D131-L134 HydrophobicContact CB-CD1 4.22Å; D131-L134 HydrophobicContact CB-CG 4.42Å; D131-L134 WeakPolarHBondContact O-CB 3.47Å; D131-L134 PolarHBondContact O-N 3.11Å; D132-L134 PolarHBondContact O-N 2.8Å; L134-E136 VanDerWaalsContact C-N 3.29Å; L134-E136 PolarHBondContact O-N 2.9Å; L134-K137 HydrophobicContact CD2-CD 4.46Å; L134-K137 PolarHBondContact O-N 3.26Å; L134-I138 WeakPolarHBondContact O-CB 3.47Å; L134-I138 WeakPolarHBondContact O-CD1 3.25Å; L134-I138 VanDerWaalsContact O-CG1 3.23Å; L134-I138 WeakPolarHBondContact O-CG1 3.42Å; L134-I138 PolarHBondContact O-N 3.09Å |
| 135 | L | 60.3 | Low | 66.9 | Low | 106 Ų | 106 | 93 Ų | 93 | 56% | 0.555 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.1 | -41.8 | 175.4 | -158.8 | 76.5 | 0 | 0 | 0 | 110.5 | D132 I138 L139 | D132-L135 PolarHBondContact O-N 3.42Å; D132-L135 VanDerWaalsContact O-N 3.14Å; L135-I138 PolarHBondContact O-N 2.93Å; L135-L139 HydrophobicContact CG-CD1 4.42Å; L135-L139 WeakPolarHBondContact O-CB 3.13Å; L135-L139 VanDerWaalsContact O-CG 3.29Å; L135-L139 WeakPolarHBondContact O-CG 3.22Å; L135-L139 PolarHBondContact O-N 3.4Å |
| 136 | E | 56.9 | Low | 64.1 | Low | 109 Ų | 109 | 95.9 Ų | 95.9 | 51% | 0.509 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.9 | -40.6 | 175.6 | -143.2 | -165.4 | -165.3 | 0 | 0 | 111.9 | D132 L134 I138 L139 F140 | D132-E136 WeakPolarHBondContact O-CB 3.35Å; D132-E136 PolarHBondContact O-N 3.1Å; L134-E136 VanDerWaalsContact C-N 3.29Å; L134-E136 PolarHBondContact O-N 2.9Å; E136-I138 VanDerWaalsContact C-N 3.33Å; E136-I138 PolarHBondContact O-N 2.93Å; E136-L139 CarbonylContact O-C 3.54Å; E136-L139 PolarHBondContact O-N 3.37Å; E136-F140 VanDerWaalsContact CD-CE2 3.5Å; E136-F140 HydrophobicContact CG-CD2 3.81Å; E136-F140 HydrophobicContact CG-CE2 3.79Å; E136-F140 VanDerWaalsContact O-CB 3.3Å; E136-F140 WeakPolarHBondContact O-CB 3.41Å; E136-F140 WeakPolarHBondContact O-CD2 3.29Å; E136-F140 PolarHBondContact O-N 3.38Å; E136-F140 WeakPolarHBondContact OE1-CE2 3.42Å |
| 137 | K | 59 | Low | 61.4 | Low | 116 Ų | 116 | 102.2 Ų | 102.2 | 50% | 0.504 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.8 | -39.1 | 171.5 | -75.9 | 158.2 | -162.7 | 150.6 | 0 | 112.2 | S133 L134 T141 | S133-K137 VanDerWaalsContact O-CB 3.3Å; S133-K137 WeakPolarHBondContact O-CB 3.4Å; S133-K137 WeakPolarHBondContact O-CD 3.45Å; S133-K137 WeakPolarHBondContact O-CE 3.23Å; S133-K137 WeakPolarHBondContact O-CG 3.22Å; S133-K137 PolarHBondContact O-N 2.91Å; S133-K137 PolarHBondContact OG-NZ 3.22Å; L134-K137 HydrophobicContact CD2-CD 4.46Å; L134-K137 PolarHBondContact O-N 3.26Å; K137-T141 WeakPolarHBondContact O-CB 3.37Å; K137-T141 WeakPolarHBondContact O-CG2 3.27Å; K137-T141 PolarHBondContact O-N 2.74Å; K137-T141 PolarHBondContact O-OG1 2.83Å |
| 138 | I | 64.2 | Low | 58.8 | Low | 85 Ų | 85 | 109.8 Ų | 109.8 | 44% | 0.436 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.5 | -40.5 | 176.2 | -70 | 163.7 | 0 | 0 | 0 | 110.6 | L134 L135 E136 T141 K142 | L134-I138 WeakPolarHBondContact O-CB 3.47Å; L134-I138 WeakPolarHBondContact O-CD1 3.25Å; L134-I138 VanDerWaalsContact O-CG1 3.23Å; L134-I138 WeakPolarHBondContact O-CG1 3.42Å; L134-I138 PolarHBondContact O-N 3.09Å; L135-I138 PolarHBondContact O-N 2.93Å; E136-I138 VanDerWaalsContact C-N 3.33Å; E136-I138 PolarHBondContact O-N 2.93Å; I138-T141 WeakPolarHBondContact CA-OG1 3.4Å; I138-T141 PolarHBondContact O-OG1 3.26Å; I138-T141 VanDerWaalsContact O-OG1 3.06Å; I138-K142 HydrophobicContact CG2-CD 4.48Å; I138-K142 WeakPolarHBondContact O-CB 3.4Å; I138-K142 WeakPolarHBondContact O-CG 3.31Å; I138-K142 PolarHBondContact O-N 2.88Å |
| 139 | L | 61.5 | Low | 55.9 | Low | 70 Ų | 70 | 113 Ų | 113 | 37% | 0.366 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.2 | -36.1 | 175.3 | -70.5 | 170.7 | 0 | 0 | 0 | 112.4 | L135 E136 R143 | L135-L139 HydrophobicContact CG-CD1 4.42Å; L135-L139 WeakPolarHBondContact O-CB 3.13Å; L135-L139 VanDerWaalsContact O-CG 3.29Å; L135-L139 WeakPolarHBondContact O-CG 3.22Å; L135-L139 PolarHBondContact O-N 3.4Å; E136-L139 CarbonylContact O-C 3.54Å; E136-L139 PolarHBondContact O-N 3.37Å; L139-R143 WeakPolarHBondContact O-CB 3.42Å; L139-R143 WeakPolarHBondContact O-CD 3.45Å; L139-R143 WeakPolarHBondContact O-CG 3.32Å; L139-R143 PolarHBondContact O-N 2.96Å |
| 140 | F | 54.5 | Low | 53.3 | Low | 99 Ų | 99 | 114.4 Ų | 114.4 | 43% | 0.434 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71.1 | -34.9 | 174.2 | -91.3 | -63.9 | 0 | 0 | 0 | 112.5 | E136 K144 | E136-F140 VanDerWaalsContact CD-CE2 3.5Å; E136-F140 HydrophobicContact CG-CD2 3.81Å; E136-F140 HydrophobicContact CG-CE2 3.79Å; E136-F140 VanDerWaalsContact O-CB 3.3Å; E136-F140 WeakPolarHBondContact O-CB 3.41Å; E136-F140 WeakPolarHBondContact O-CD2 3.29Å; E136-F140 PolarHBondContact O-N 3.38Å; E136-F140 WeakPolarHBondContact OE1-CE2 3.42Å; F140-K144 VanDerWaalsContact O-CB 3.23Å; F140-K144 WeakPolarHBondContact O-CB 3.38Å; F140-K144 VanDerWaalsContact O-CG 3.26Å; F140-K144 WeakPolarHBondContact O-CG 3.38Å; F140-K144 PolarHBondContact O-N 3.3Å |
| 141 | T | 57.8 | Low | 51.1 | Low | 85 Ų | 85 | 115.8 Ų | 115.8 | 52% | 0.521 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -71.8 | -42.2 | 172.9 | 46.3 | 0 | 0 | 0 | 0 | 111.4 | K137 I138 R143 K144 L145 | K137-T141 WeakPolarHBondContact O-CB 3.37Å; K137-T141 WeakPolarHBondContact O-CG2 3.27Å; K137-T141 PolarHBondContact O-N 2.74Å; K137-T141 PolarHBondContact O-OG1 2.83Å; I138-T141 WeakPolarHBondContact CA-OG1 3.4Å; I138-T141 PolarHBondContact O-OG1 3.26Å; I138-T141 VanDerWaalsContact O-OG1 3.06Å; T141-R143 VanDerWaalsContact C-N 3.34Å; T141-R143 PolarHBondContact O-N 2.94Å; T141-K144 CarbonylContact O-C 3.49Å; T141-K144 PolarHBondContact O-N 3.41Å; T141-K144 VanDerWaalsContact O-N 3.11Å; T141-L145 PolarHBondContact O-N 2.95Å |
| 142 | K | 55.3 | Low | 49.4 | Very low | 142 Ų | 142 | 120.1 Ų | 120.1 | 62% | 0.617 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -59.5 | -40.1 | 169.2 | -75.7 | -176.2 | 175 | -174.9 | 0 | 112.6 | I138 K144 L145 | I138-K142 HydrophobicContact CG2-CD 4.48Å; I138-K142 WeakPolarHBondContact O-CB 3.4Å; I138-K142 WeakPolarHBondContact O-CG 3.31Å; I138-K142 PolarHBondContact O-N 2.88Å; K142-K144 VanDerWaalsContact C-N 3.33Å; K142-L145 PolarHBondContact O-N 3.03Å |
| 143 | R | 50.1 | Low | 47.8 | Very low | 168 Ų | 168 | 117.4 Ų | 117.4 | 63% | 0.634 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -74.2 | -18.5 | 174.5 | -71.4 | 166.6 | -177.5 | 157.1 | 0.5 | 113.8 | L139 T141 L145 | L139-R143 WeakPolarHBondContact O-CB 3.42Å; L139-R143 WeakPolarHBondContact O-CD 3.45Å; L139-R143 WeakPolarHBondContact O-CG 3.32Å; L139-R143 PolarHBondContact O-N 2.96Å; T141-R143 VanDerWaalsContact C-N 3.34Å; T141-R143 PolarHBondContact O-N 2.94Å; R143-L145 VanDerWaalsContact C-N 3.32Å |
| 144 | K | 47.3 | Very low | 46.8 | Very low | 169 Ų | 169 | 121.1 Ų | 121.1 | 74% | 0.735 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | 12.3 | 170.7 | -77.9 | 179.5 | 176.4 | -180 | 0 | 113.5 | F140 T141 K142 P146 | F140-K144 VanDerWaalsContact O-CB 3.23Å; F140-K144 WeakPolarHBondContact O-CB 3.38Å; F140-K144 VanDerWaalsContact O-CG 3.26Å; F140-K144 WeakPolarHBondContact O-CG 3.38Å; F140-K144 PolarHBondContact O-N 3.3Å; T141-K144 CarbonylContact O-C 3.49Å; T141-K144 PolarHBondContact O-N 3.41Å; T141-K144 VanDerWaalsContact O-N 3.11Å; K142-K144 VanDerWaalsContact C-N 3.33Å; K144-P146 VanDerWaalsContact O-CD 3.27Å; K144-P146 WeakPolarHBondContact O-CD 2.95Å |
| 145 | L | 38.6 | Very low | 45.4 | Very low | 144 Ų | 144 | 123.3 Ų | 123.3 | 75% | 0.754 | 67% | 0.667 | S | S | * | * | trans | -105.4 | 52.6 | 167.2 | -76.3 | 161.3 | 0 | 0 | 0 | 114.3 | T141 K142 R143 | T141-L145 PolarHBondContact O-N 2.95Å; K142-L145 PolarHBondContact O-N 3.03Å; R143-L145 VanDerWaalsContact C-N 3.32Å | ||
| 146 | P | 34.8 | Very low | 44.2 | Very low | 80 Ų | 80 | 126.9 Ų | 126.9 | 52% | 0.519 | 68% | 0.68 | S | S | . | * | trans | -87.9 | 147.3 | 165.3 | 36.3 | -32.4 | 0 | 0 | 0 | 112.3 | K144 | K144-P146 VanDerWaalsContact O-CD 3.27Å; K144-P146 WeakPolarHBondContact O-CD 2.95Å | ||
| 147 | N | 39.6 | Very low | 43.1 | Very low | 160 Ų | 160 | 130.3 Ų | 130.3 | 86% | 0.856 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 70.4 | 41.9 | 154.7 | -52.1 | -18.9 | 0 | 0 | 0 | 119.5 | ||
| 148 | I | 38.7 | Very low | 42 | Very low | 159 Ų | 159 | 130.8 Ų | 130.8 | 82% | 0.815 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -127.6 | 47.1 | 162.8 | -39.4 | -178.7 | 0 | 0 | 0 | 112 | ||
| 149 | T | 32.6 | Very low | 40.4 | Very low | 140 Ų | 140 | 131.6 Ų | 131.6 | 86% | 0.859 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -158.4 | 51.6 | 170.1 | -13.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 150 | S | 30.3 | Very low | 39.3 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | trans | -157.6 | 159.9 | 169.7 | -86.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 151 | T | 33.3 | Very low | 38.2 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | 56.7 | 101.7 | -174.5 | 63 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 152 | N | 35.5 | Very low | 37 | Very low | 174 Ų | 174 | 141.4 Ų | 141.4 | 93% | 0.93 | 76% | 0.762 | S | S | * | * | -175.5 | 86.1 | 124.4 | -91 | -23.4 | 0 | 0 | 0 | 110.2 | |||||
| 153 | G | 33.7 | Very low | 35.8 | Very low | 74 Ų | 74 | 141.6 Ų | 141.6 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | trans | -137.7 | 154.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 154 | S | 37.9 | Very low | 34.8 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | 78.5 | 134 | -172.6 | -160.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 155 | L | 31.1 | Very low | 34 | Very low | 146 Ų | 146 | 139 Ų | 139 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | -69.8 | 142.7 | 170.9 | -70.2 | 55.2 | 0 | 0 | 0 | 110 | ||||
| 156 | H | 36.1 | Very low | 33.6 | Very low | 182 Ų | 182 | 138.9 Ų | 138.9 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | -173.5 | 145.7 | 97.4 | -124.3 | -84.5 | 0 | 0 | 0 | 113.3 | |||||
| 157 | R | 32.3 | Very low | 33.5 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 68% | 0.683 | 78% | 0.777 | S | S | * | * | trans | -93 | 155.1 | 163.4 | -141.2 | -169.8 | 178.2 | 160.9 | 4.8 | 108.5 | N159 | R157-N159 PolarHBondContact NE-OD1 2.72Å; R157-N159 PolarHBondContact NH2-ND2 3.06Å; R157-N159 VanDerWaalsContact NH2-ND2 3.13Å; R157-N159 PolarHBondContact NH2-OD1 3.04Å | ||
| 158 | P | 36.2 | Very low | 33.2 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | -137 | 169.5 | 81.6 | 37.4 | -23.9 | 0 | 0 | 0 | 115 | |||||
| 159 | N | 31.8 | Very low | 33 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 55% | 0.551 | 77% | 0.771 | S | S | * | * | trans | -80.4 | 149.8 | 171.9 | -63.7 | -29.1 | 0 | 0 | 0 | 111.2 | R157 | R157-N159 PolarHBondContact NE-OD1 2.72Å; R157-N159 PolarHBondContact NH2-ND2 3.06Å; R157-N159 VanDerWaalsContact NH2-ND2 3.13Å; R157-N159 PolarHBondContact NH2-OD1 3.04Å | ||
| 160 | V | 38.8 | Very low | 33.1 | Very low | 143 Ų | 143 | 137 Ų | 137 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | trans | -136.5 | 104.7 | 135.3 | -176.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 161 | N | 30.4 | Very low | 33.2 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | -97.4 | 130.2 | 155.8 | -85.8 | -14.3 | 0 | 0 | 0 | 106.5 | ||||
| 162 | Q | 32.6 | Very low | 32.9 | Very low | 168 Ų | 168 | 139.2 Ų | 139.2 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | -176.9 | 147.3 | 136.6 | -107.7 | 165.9 | 21.3 | 0 | 0 | 115.4 | ||||
| 163 | H | 29.5 | Very low | 32.7 | Very low | 147 Ų | 147 | 136.7 Ų | 136.7 | 68% | 0.681 | 75% | 0.745 | S | S | * | * | trans | 77.4 | 127.8 | 143.2 | -77.8 | -51.9 | 0 | 0 | 0 | 123.7 | ||||
| 164 | L | 29.7 | Very low | 32.3 | Very low | 142 Ų | 142 | 140.2 Ų | 140.2 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | 73.3 | 142.3 | 145.4 | -88 | 52.3 | 0 | 0 | 0 | 119.4 | ||||
| 165 | M | 31 | Very low | 31.8 | Very low | 140 Ų | 140 | 140 Ų | 140 | 69% | 0.69 | 74% | 0.74 | S | S | * | * | cis | -169.7 | 154.9 | -28.8 | -116 | -42.4 | -171.2 | 0 | 0 | 109.8 | ||||
| 166 | N | 30.2 | Very low | 31.8 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | trans | 49.6 | 124.7 | 147.4 | -62.9 | -23.6 | 0 | 0 | 0 | 123.1 | ||||
| 167 | G | 33 | Very low | 31.5 | Very low | 67 Ų | 67 | 134.5 Ų | 134.5 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | trans | 127.5 | 125.7 | 139.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 168 | F | 32.7 | Very low | 31.4 | Very low | 206 Ų | 206 | 131.9 Ų | 131.9 | 90% | 0.904 | 72% | 0.718 | S | S | * | * | cis | -144.5 | 159.4 | -9.5 | -102.6 | -92.1 | 0 | 0 | 0 | 109.6 | ||||
| 169 | P | 34.9 | Very low | 31.3 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 64% | 0.643 | 71% | 0.713 | S | S | * | * | trans | -108.9 | -161.6 | -170.7 | 41.2 | -30.6 | 0 | 0 | 0 | 113.8 | ||||
| 170 | N | 34.1 | Very low | 31.2 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 68% | 0.679 | 72% | 0.715 | S | S | * | * | trans | 91.8 | 137.3 | 170 | -58.5 | -19.4 | 0 | 0 | 0 | 115.7 | ||||
| 171 | H | 31.4 | Very low | 30.9 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 68% | 0.681 | 71% | 0.714 | S | S | * | * | cis | -154.7 | 151.3 | 3.3 | -97.9 | -37.2 | 0 | 0 | 0 | 111.5 | ||||
| 172 | I | 27.9 | Very low | 30.9 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 72% | 0.718 | 71% | 0.713 | S | S | * | * | trans | 55.2 | 122.8 | 136 | -62.8 | 167.4 | 0 | 0 | 0 | 117.9 | ||||
| 173 | T | 30.4 | Very low | 30.8 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | cis | -159.2 | 175 | 12.8 | 3.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 174 | N | 26.8 | Very low | 30.9 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | trans | -45.3 | 158.7 | 172.7 | -48.9 | -38.9 | 0 | 0 | 0 | 115 | ||||
| 175 | V | 27.5 | Very low | 30.9 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 72% | 0.715 | 74% | 0.738 | S | S | * | * | -159.2 | 178.2 | 62.1 | 167.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 176 | H | 29.9 | Very low | 30.8 | Very low | 164 Ų | 164 | 147.3 Ų | 147.3 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | -88.4 | 131.4 | -158.9 | -127.3 | -106 | 0 | 0 | 0 | 118.7 | ||||
| 177 | A | 29.8 | Very low | 30.7 | Very low | 48 Ų | 48 | 147.6 Ų | 147.6 | 40% | 0.397 | 75% | 0.747 | S | S | . | * | trans | 52.4 | 132.7 | 133.7 | 0 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 178 | N | 31.2 | Very low | 30.5 | Very low | 127 Ų | 127 | 153.1 Ų | 153.1 | 68% | 0.679 | 75% | 0.753 | S | S | * | * | trans | 96.7 | 138.4 | 144.4 | -65 | -24.7 | 0 | 0 | 0 | 123 | Y920 | N178-Y920 CarbonylContact C-O 3.16Å; N178-Y920 CarbonylContact O-C 3.55Å; N178-Y920 WeakPolarHBondContact O-CA 3.46Å; N178-Y920 PolarHBondContact O-N 3.38Å | ||
| 179 | Q | 32.8 | Very low | 30.5 | Very low | 153 Ų | 153 | 149.6 Ų | 149.6 | 72% | 0.715 | 75% | 0.748 | S | S | * | * | trans | 101 | 91.3 | 170.6 | -62.5 | -164.5 | 9.6 | 0 | 0 | 119.7 | Y920 D921 Y922 | Q179-Y920 CarbonylContact C-O 2.95Å; Q179-Y920 PolarHBondContact N-O 3.18Å; Q179-Y920 VanDerWaalsContact N-O 3.13Å; Q179-D921 CarbonylContact O-C 3.34Å; Q179-D921 WeakPolarHBondContact O-CA 3.3Å; Q179-D921 PolarHBondContact O-N 2.67Å; Q179-Y922 PolarHBondContact O-N 3.02Å | ||
| 180 | H | 31 | Very low | 30.4 | Very low | 127 Ų | 127 | 150.6 Ų | 150.6 | 59% | 0.588 | 76% | 0.755 | S | S | * | * | -161.1 | 157.9 | 105 | -144.5 | -98.8 | 0 | 0 | 0 | 113.7 | Y922 | H180-Y922 WeakPolarHBondContact CB-O 3.38Š| |||
| 181 | L | 32.1 | Very low | 30.1 | Very low | 160 Ų | 160 | 155.3 Ų | 155.3 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -151.4 | 115.3 | 169 | 174.4 | 83.8 | 0 | 0 | 0 | 107.9 | ||||
| 182 | E | 30.6 | Very low | 29.9 | Very low | 168 Ų | 168 | 152.7 Ų | 152.7 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -173.3 | 127.3 | 156.4 | -116.9 | 169.5 | -145.1 | 0 | 0 | 112.5 | ||||
| 183 | Q | 30.1 | Very low | 30.1 | Very low | 192 Ų | 192 | 150.7 Ų | 150.7 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | 165.8 | 87.7 | 143.9 | -96 | -172.3 | 35.3 | 0 | 0 | 111.2 | ||||
| 184 | R | 32.1 | Very low | 30 | Very low | 252 Ų | 252 | 153 Ų | 153 | 95% | 0.951 | 77% | 0.773 | S | S | * | * | trans | 167.7 | 91.3 | 136.6 | -97.9 | -178.3 | 162.8 | -170.1 | -6 | 111.6 | ||||
| 185 | E | 28.5 | Very low | 30.2 | Very low | 188 Ų | 188 | 150.6 Ų | 150.6 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | trans | -106.7 | 143 | 145.7 | -70.1 | -162.1 | 146.2 | 0 | 0 | 109.3 | ||||
| 186 | K | 30.4 | Very low | 30.2 | Very low | 199 Ų | 199 | 152.3 Ų | 152.3 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | trans | 171.8 | 104.8 | 147 | -101.5 | 170.6 | -178.6 | -179.5 | 0 | 109.7 | ||||
| 187 | L | 27.5 | Very low | 30.2 | Very low | 149 Ų | 149 | 150.5 Ų | 150.5 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | S | Bend | 168.9 | 137.1 | 118.7 | -88.3 | 167.1 | 0 | 0 | 0 | 111.2 | |||
| 188 | F | 29.8 | Very low | 30.2 | Very low | 183 Ų | 183 | 156.5 Ų | 156.5 | 80% | 0.803 | 80% | 0.799 | S | S | * | * | trans | 62.2 | 88.1 | 168.2 | -61.3 | -66.1 | 0 | 0 | 0 | 120.3 | ||||
| 189 | T | 31 | Very low | 30.1 | Very low | 132 Ų | 132 | 156.3 Ų | 156.3 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | -110.3 | 171.5 | 121.2 | 61.9 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 190 | P | 34.3 | Very low | 29.9 | Very low | 119 Ų | 119 | 159 Ų | 159 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | -141.5 | 172.2 | 84.2 | 37.8 | -21.6 | 0 | 0 | 0 | 115.1 | |||||
| 191 | Y | 27.9 | Very low | 29.7 | Very low | 226 Ų | 226 | 160.5 Ų | 160.5 | 89% | 0.886 | 81% | 0.812 | S | S | * | * | trans | -107.2 | 178.4 | 171.7 | -123.6 | -103.8 | 0 | 0 | 0 | 111.1 | ||||
| 192 | C | 26.1 | Very low | 29.5 | Very low | 92 Ų | 92 | 157.6 Ų | 157.6 | 62% | 0.622 | 81% | 0.806 | S | S | * | * | trans | -78.3 | 152.4 | -177.2 | -46.8 | 0 | 0 | 0 | 0 | 112.9 | K90 | K90-C192 PolarHBondContact NZ-SG 3.44Š| ||
| 193 | A | 32.5 | Very low | 29.4 | Very low | 99 Ų | 99 | 155.9 Ų | 155.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -152.1 | 156.2 | 153.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 194 | L | 28.6 | Very low | 29.4 | Very low | 171 Ų | 171 | 153.4 Ų | 153.4 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | trans | -125.7 | -172.5 | -179.7 | -88.4 | 171.5 | 0 | 0 | 0 | 110.3 | ||||
| 195 | S | 29.8 | Very low | 29.2 | Very low | 96 Ų | 96 | 148.5 Ų | 148.5 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | trans | 71.5 | 100 | 170.9 | 58.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 196 | D | 28.7 | Very low | 29.2 | Very low | 154 Ų | 154 | 145.2 Ų | 145.2 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | 52.5 | 114.5 | 115.4 | -41.9 | -26.8 | 0 | 0 | 0 | 120.3 | |||||
| 197 | S | 30 | Very low | 29.1 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 88% | 0.881 | 77% | 0.769 | S | S | * | * | -167.9 | 157.2 | 117.5 | 24.3 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 198 | E | 29 | Very low | 29.4 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | -77.5 | 140.4 | -174.6 | -51.6 | 159.1 | 114.5 | 0 | 0 | 111.8 | ||||
| 199 | N | 29 | Very low | 29.4 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 65% | 0.652 | 74% | 0.744 | S | S | * | * | -179.1 | 140 | 105.3 | -105.3 | -89.2 | 0 | 0 | 0 | 113.4 | |||||
| 200 | R | 29.4 | Very low | 29.4 | Very low | 211 Ų | 211 | 138 Ų | 138 | 80% | 0.796 | 73% | 0.728 | S | S | * | * | trans | 51.8 | 98.3 | 150.8 | -64.7 | 167.4 | -175.8 | -159.3 | -6.4 | 117.2 | ||||
| 201 | L | 27.1 | Very low | 29.5 | Very low | 157 Ų | 157 | 136.7 Ų | 136.7 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | 79.6 | 134.2 | 77.9 | -85.8 | 162.5 | 0 | 0 | 0 | 114.9 | |||||
| 202 | S | 27.3 | Very low | 29.9 | Very low | 100 Ų | 100 | 130.7 Ų | 130.7 | 70% | 0.699 | 71% | 0.709 | S | S | * | * | trans | 67.7 | 147.5 | 162.6 | 70.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 203 | N | 28.4 | Very low | 30.2 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | cis | -163 | 166.6 | -27.9 | -87.5 | -24.6 | 0 | 0 | 0 | 103.8 | ||||
| 204 | H | 30.4 | Very low | 30.1 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 65% | 0.653 | 71% | 0.71 | S | S | * | * | cis | -157.8 | 167.1 | 37.2 | -91.6 | -87.9 | 0 | 0 | 0 | 110.4 | ||||
| 205 | L | 27.3 | Very low | 30.4 | Very low | 148 Ų | 148 | 135 Ų | 135 | 78% | 0.775 | 71% | 0.705 | S | S | * | * | trans | -108.2 | 153.1 | 162.6 | -69.3 | 162.8 | 0 | 0 | 0 | 109.9 | ||||
| 206 | N | 29.3 | Very low | 30.7 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 64% | 0.642 | 70% | 0.702 | S | S | * | * | 167.3 | 171.3 | 128.5 | -81.7 | -4.6 | 0 | 0 | 0 | 113.3 | |||||
| 207 | E | 28.5 | Very low | 30.8 | Very low | 178 Ų | 178 | 138 Ų | 138 | 83% | 0.832 | 70% | 0.697 | S | S | * | * | trans | -121.1 | -168.4 | -162.3 | -86.7 | -160.8 | 127 | 0 | 0 | 116.2 | Y995 | E207-Y995 CarbonylContact O-C 3.57Å; E207-Y995 PolarHBondContact O-N 3.26Å | ||
| 208 | D | 32 | Very low | 31 | Very low | 85 Ų | 85 | 140.4 Ų | 140.4 | 46% | 0.455 | 69% | 0.692 | S | S | . | * | trans | 93.9 | 167.8 | -173.7 | -119.7 | -37.9 | 0 | 0 | 0 | 115.8 | I210 I997 | D208-I210 PolarHBondContact OD1-N 3.34Å; D208-I997 VanDerWaalsContact CG-C 3.46Å; D208-I997 VanDerWaalsContact OD1-O 3.06Å; D208-I997 WeakPolarHBondContact OD2-CA 3.49Å; D208-I997 PolarHBondContact OD2-N 3.49Å; D208-I997 VanDerWaalsContact OD2-O 3.13Å | ||
| 209 | Y | 30.2 | Very low | 31 | Very low | 156 Ų | 156 | 136.9 Ų | 136.9 | 61% | 0.612 | 69% | 0.686 | S | S | * | * | -150.9 | 147.5 | 54.5 | 177.9 | -83.9 | 0 | 0 | 0 | 114.3 | V996 I997 | Y209-V996 HydrophobicContact CD2-CG1 3.7Å; Y209-V996 HydrophobicContact CE2-CG1 3.78Å; Y209-I997 HydrophobicContact CD2-CG1 3.93Å; Y209-I997 HydrophobicContact CE2-CD1 3.9Å; Y209-I997 HydrophobicContact CE2-CG1 3.54Å | |||
| 210 | I | 32.1 | Very low | 31.1 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 48% | 0.477 | 69% | 0.687 | S | S | . | * | trans | -132 | 163.1 | -173.2 | -76.6 | 167.4 | 0 | 0 | 0 | 109.5 | D208 I997 | D208-I210 PolarHBondContact OD1-N 3.34Å; I210-I997 PolarHBondContact N-O 3.13Å | ||
| 211 | P | 36.5 | Very low | 31 | Very low | 91 Ų | 91 | 133.2 Ų | 133.2 | 59% | 0.591 | 69% | 0.686 | S | S | * | * | cis | -119.7 | -139.2 | -0.8 | 42.2 | -24 | 0 | 0 | 0 | 111.4 | ||||
| 212 | P | 35.2 | Very low | 31.3 | Very low | 100 Ų | 100 | 133.2 Ų | 133.2 | 65% | 0.649 | 68% | 0.682 | S | S | * | * | cis | -136.4 | -178.1 | -20.7 | 38.6 | -19.1 | 0 | 0 | 0 | 117.9 | ||||
| 213 | N | 31.9 | Very low | 31.3 | Very low | 144 Ų | 144 | 135 Ų | 135 | 77% | 0.77 | 68% | 0.683 | S | S | * | * | trans | 106.6 | 121.7 | 139 | -92.9 | -33.1 | 0 | 0 | 0 | 123 | ||||
| 214 | S | 32.1 | Very low | 31.3 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | trans | 65.3 | 137 | 151.1 | 57.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 215 | R | 34.7 | Very low | 31.4 | Very low | 206 Ų | 206 | 133.9 Ų | 133.9 | 78% | 0.777 | 69% | 0.686 | S | S | * | * | cis | -163.8 | 140.8 | 0.2 | -113.8 | 174.4 | -165.7 | -175.5 | 6 | 110.1 | ||||
| 216 | Q | 35.3 | Very low | 31.4 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 62% | 0.617 | 69% | 0.686 | S | S | * | * | trans | 66.6 | 147.4 | 140.8 | -64.5 | 170.6 | -17.5 | 0 | 0 | 118.9 | ||||
| 217 | Y | 31.8 | Very low | 31.4 | Very low | 182 Ų | 182 | 135.4 Ų | 135.4 | 71% | 0.714 | 69% | 0.689 | S | S | * | * | cis | -159.3 | 145.9 | -7.9 | -118.9 | -38.7 | 0 | 0 | 0 | 111.4 | ||||
| 218 | K | 32.9 | Very low | 31.5 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | trans | 69.3 | 128.3 | 159.1 | -64.2 | 178.9 | 179.5 | -176.6 | 0 | 116.5 | ||||
| 219 | S | 28.9 | Very low | 31.3 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 70% | 0.699 | 70% | 0.698 | S | S | * | * | cis | 80.5 | 135.9 | 48.2 | -163.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 220 | T | 31.7 | Very low | 31.4 | Very low | 111 Ų | 111 | 140 Ų | 140 | 68% | 0.681 | 71% | 0.713 | S | S | * | * | cis | -145.5 | 161.1 | 20.8 | -34 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 221 | N | 28.1 | Very low | 31.1 | Very low | 144 Ų | 144 | 139.8 Ų | 139.8 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | trans | -60.2 | 161 | 154 | -63.3 | -42.2 | 0 | 0 | 0 | 110.4 | ||||
| 222 | H | 32.8 | Very low | 31 | Very low | 157 Ų | 157 | 142.8 Ų | 142.8 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | 164.2 | 121.3 | 130.1 | -84.5 | -58.6 | 0 | 0 | 0 | 112.5 | ||||
| 223 | L | 27.7 | Very low | 30.7 | Very low | 139 Ų | 139 | 144.3 Ų | 144.3 | 73% | 0.728 | 73% | 0.73 | S | S | * | * | 53.1 | 131.9 | 129.1 | -62 | 168.9 | 0 | 0 | 0 | 122.3 | |||||
| 224 | I | 27.3 | Very low | 30.8 | Very low | 147 Ų | 147 | 145.3 Ų | 145.3 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | trans | 81.3 | 143.8 | 136.8 | -71.7 | 169.9 | 0 | 0 | 0 | 117.3 | ||||
| 225 | P | 33.9 | Very low | 30.8 | Very low | 101 Ų | 101 | 145.6 Ų | 145.6 | 66% | 0.656 | 73% | 0.729 | S | S | * | * | trans | -101.8 | -164.8 | -166.8 | 42.6 | -38.3 | 0 | 0 | 0 | 113.7 | ||||
| 226 | N | 27.3 | Very low | 30.5 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 79% | 0.786 | 73% | 0.725 | S | S | * | * | trans | 89.6 | 135.4 | -173.6 | -55.7 | -61.7 | 0 | 0 | 0 | 112 | ||||
| 227 | H | 28.1 | Very low | 30.3 | Very low | 152 Ų | 152 | 146.2 Ų | 146.2 | 70% | 0.704 | 74% | 0.737 | S | S | * | * | cis | 131.4 | 162.4 | 24.5 | -155.9 | 55.4 | 0 | 0 | 0 | 104 | ||||
| 228 | Y | 31 | Very low | 30.1 | Very low | 225 Ų | 225 | 145.5 Ų | 145.5 | 88% | 0.882 | 74% | 0.744 | S | S | * | * | trans | 63.5 | 146.2 | -163 | -40.9 | -77.4 | 0 | 0 | 0 | 112.9 | ||||
| 229 | G | 27.7 | Very low | 30.1 | Very low | 57 Ų | 57 | 144.1 Ų | 144.1 | 59% | 0.588 | 74% | 0.744 | S | S | * | * | cis | 170.1 | 162.5 | -2.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 230 | Y | 31.5 | Very low | 30.4 | Very low | 234 Ų | 234 | 148.1 Ų | 148.1 | 92% | 0.918 | 75% | 0.752 | S | S | * | * | trans | 67.6 | 123.1 | -171.9 | -53.7 | -86.1 | 0 | 0 | 0 | 113.7 | ||||
| 231 | S | 26.8 | Very low | 30.5 | Very low | 89 Ų | 89 | 148 Ų | 148 | 62% | 0.622 | 75% | 0.751 | S | S | * | * | cis | 76.5 | 89.8 | 34.7 | -162.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 232 | M | 34.7 | Very low | 30.9 | Very low | 154 Ų | 154 | 146.9 Ų | 146.9 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | -164.3 | 122.9 | 123.1 | -78.9 | -43.6 | 154.2 | 0 | 0 | 106 | |||||
| 233 | N | 29.4 | Very low | 30.8 | Very low | 131 Ų | 131 | 146.6 Ų | 146.6 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | 65 | 128.1 | 72.4 | -68.5 | -31.4 | 0 | 0 | 0 | 113.9 | |||||
| 234 | H | 33 | Very low | 31.1 | Very low | 166 Ų | 166 | 151.5 Ų | 151.5 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -48.8 | 146.8 | 167.4 | -105 | -105 | 0 | 0 | 0 | 111 | D236 | H234-D236 IonicContact ND1-OD1 3.56Š| ||
| 235 | P | 32.4 | Very low | 31.2 | Very low | 106 Ų | 106 | 152.2 Ų | 152.2 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | -135.8 | 149.5 | 106.2 | 37.1 | -28.6 | 0 | 0 | 0 | 114 | |||||
| 236 | D | 27.5 | Very low | 31 | Very low | 129 Ų | 129 | 156.9 Ų | 156.9 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | trans | -68.6 | 141.6 | 161.3 | -49.2 | -79.7 | 0 | 0 | 0 | 110.1 | H234 | H234-D236 IonicContact ND1-OD1 3.56Š| ||
| 237 | Y | 32.7 | Very low | 31.1 | Very low | 223 Ų | 223 | 156.6 Ų | 156.6 | 88% | 0.875 | 76% | 0.762 | S | S | * | * | trans | -143.9 | 135.6 | 157.3 | -106.1 | -75 | 0 | 0 | 0 | 113 | ||||
| 238 | L | 27.2 | Very low | 31.3 | Very low | 166 Ų | 166 | 156.8 Ų | 156.8 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | trans | -96.4 | 139.5 | -175.9 | -68.6 | 163.1 | 0 | 0 | 0 | 111.7 | ||||
| 239 | I | 33.1 | Very low | 31.2 | Very low | 148 Ų | 148 | 151.2 Ų | 151.2 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | trans | -144.9 | 124.7 | 168.4 | -62.2 | -177.6 | 0 | 0 | 0 | 105.3 | ||||
| 240 | E | 34.6 | Very low | 31.3 | Very low | 184 Ų | 184 | 153.7 Ų | 153.7 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | cis | -150.9 | 171.9 | 1.5 | -123.6 | 164.2 | -157.4 | 0 | 0 | 111.1 | ||||
| 241 | T | 32.9 | Very low | 31.2 | Very low | 110 Ų | 110 | 149.2 Ų | 149.2 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | trans | -114.7 | 163.8 | -177.2 | 66.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 242 | P | 37.5 | Very low | 31.4 | Very low | 120 Ų | 120 | 152.1 Ų | 152.1 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | -140.9 | 128.6 | 98.1 | 24.8 | -5 | 0 | 0 | 0 | 113.4 | |||||
| 243 | L | 30.3 | Very low | 31.4 | Very low | 150 Ų | 150 | 149.3 Ų | 149.3 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | 75.1 | 118.8 | 76.7 | -72.3 | 171.5 | 0 | 0 | 0 | 116.1 | |||||
| 244 | R | 33.5 | Very low | 31.5 | Very low | 243 Ų | 243 | 150.5 Ų | 150.5 | 92% | 0.917 | 76% | 0.757 | S | S | * | * | trans | 104.2 | 149.4 | 162.5 | -66.1 | -165.6 | 176.1 | -148.1 | -0.3 | 117.6 | ||||
| 245 | H | 29.2 | Very low | 31.4 | Very low | 162 Ų | 162 | 145.2 Ų | 145.2 | 75% | 0.75 | 74% | 0.741 | S | S | * | * | cis | -173.1 | 164.8 | -31.8 | -153.4 | 59.2 | 0 | 0 | 0 | 108.8 | ||||
| 246 | R | 31.6 | Very low | 31.3 | Very low | 199 Ų | 199 | 149 Ų | 149 | 75% | 0.751 | 75% | 0.749 | S | S | * | * | trans | 72.9 | 132.3 | -175.8 | -61.2 | -172.3 | 157.5 | 178.2 | -6.6 | 113.7 | ||||
| 247 | Q | 29.3 | Very low | 31.4 | Very low | 140 Ų | 140 | 147.6 Ų | 147.6 | 65% | 0.654 | 75% | 0.75 | S | S | * | * | 68.3 | 131.5 | 51.1 | -56.4 | 166 | -39.5 | 0 | 0 | 110.8 | |||||
| 248 | F | 31.6 | Very low | 31.3 | Very low | 157 Ų | 157 | 141.5 Ų | 141.5 | 69% | 0.689 | 74% | 0.74 | S | S | * | * | cis | -140.4 | 130.7 | 27.5 | -76.9 | -95.3 | 0 | 0 | 0 | 111 | ||||
| 249 | T | 28.5 | Very low | 31.7 | Very low | 107 Ų | 107 | 141 Ų | 141 | 66% | 0.656 | 73% | 0.733 | S | S | * | * | 78.9 | 147.5 | 97.9 | 71.8 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 250 | T | 29.6 | Very low | 31.6 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | trans | 63.4 | 142.8 | 149.3 | 50.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 251 | D | 30.5 | Very low | 31.4 | Very low | 139 Ų | 139 | 136.5 Ų | 136.5 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | cis | -155.2 | -169.7 | -2.2 | -111.4 | -18 | 0 | 0 | 0 | 113.8 | ||||
| 252 | D | 29.7 | Very low | 31.5 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 81% | 0.807 | 72% | 0.722 | S | S | * | * | trans | -75.8 | -178.8 | -160.8 | -98.6 | -47.8 | 0 | 0 | 0 | 118.7 | ||||
| 253 | S | 36.2 | Very low | 31.3 | Very low | 95 Ų | 95 | 139.4 Ų | 139.4 | 66% | 0.664 | 72% | 0.717 | S | S | * | * | trans | -75.1 | 147.1 | 176.1 | 55.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 254 | D | 30.2 | Very low | 31.4 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 83% | 0.834 | 71% | 0.712 | S | S | * | * | trans | 177.1 | 172.6 | 141.8 | -100.8 | -2 | 0 | 0 | 0 | 109.8 | ||||
| 255 | A | 32 | Very low | 31.3 | Very low | 54 Ų | 54 | 134.8 Ų | 134.8 | 45% | 0.446 | 70% | 0.701 | S | S | . | * | cis | -166.8 | 174.1 | -33.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 256 | H | 29.9 | Very low | 31.1 | Very low | 185 Ų | 185 | 136.5 Ų | 136.5 | 86% | 0.856 | 71% | 0.707 | S | S | * | * | trans | 65.3 | 171.4 | 171.2 | -45.1 | -61.4 | 0 | 0 | 0 | 113.8 | ||||
| 257 | S | 29.2 | Very low | 31 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | cis | -151.7 | 160.5 | 14.3 | 51.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 258 | S | 29.8 | Very low | 30.8 | Very low | 95 Ų | 95 | 130.9 Ų | 130.9 | 66% | 0.664 | 71% | 0.708 | S | S | * | * | trans | 62.6 | 147.8 | 165.6 | -73.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 259 | E | 36 | Very low | 30.6 | Very low | 155 Ų | 155 | 127.2 Ų | 127.2 | 72% | 0.724 | 70% | 0.702 | S | S | * | * | cis | -149 | 138.1 | -1.6 | -121.5 | 144.3 | -125.6 | 0 | 0 | 109.9 | ||||
| 260 | T | 32.3 | Very low | 30.6 | Very low | 111 Ų | 111 | 132 Ų | 132 | 68% | 0.681 | 71% | 0.708 | S | S | * | * | 27.1 | 149 | 128.7 | 74.5 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 261 | L | 29.8 | Very low | 30.6 | Very low | 126 Ų | 126 | 133 Ų | 133 | 66% | 0.66 | 71% | 0.705 | S | S | * | * | cis | -169.5 | 145.4 | 25.7 | -155.3 | 65.2 | 0 | 0 | 0 | 109.9 | ||||
| 262 | K | 34.2 | Very low | 30.7 | Very low | 167 Ų | 167 | 136.1 Ų | 136.1 | 73% | 0.726 | 71% | 0.708 | S | S | * | * | trans | 63.2 | 142.6 | 160.5 | -68.3 | 155.4 | -175 | 175 | 0 | 117.3 | ||||
| 263 | N | 34.6 | Very low | 30.7 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 67% | 0.668 | 70% | 0.702 | S | S | * | * | cis | -159 | 128.4 | 6.5 | -112.4 | -1.9 | 0 | 0 | 0 | 114.2 | ||||
| 264 | H | 31.3 | Very low | 30.5 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 67% | 0.671 | 70% | 0.703 | S | S | * | * | 55.9 | 137.6 | 128.6 | -79 | -58.3 | 0 | 0 | 0 | 125.9 | |||||
| 265 | H | 31.6 | Very low | 30.6 | Very low | 150 Ų | 150 | 137 Ų | 137 | 69% | 0.694 | 70% | 0.695 | S | S | * | * | trans | 63.7 | 110.8 | 144.5 | -66.7 | -54.2 | 0 | 0 | 0 | 118.3 | ||||
| 266 | F | 25.2 | Very low | 30.5 | Very low | 199 Ų | 199 | 141.5 Ų | 141.5 | 87% | 0.873 | 71% | 0.707 | S | S | * | * | cis | 63.4 | 137.1 | 30.6 | -125.6 | -64.2 | 0 | 0 | 0 | 113.2 | ||||
| 267 | V | 28.6 | Very low | 30.4 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | trans | 95.1 | 86.2 | 170.8 | -169.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 268 | S | 25.9 | Very low | 30.5 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | 72 | 143.9 | 110.2 | -154.4 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 269 | S | 28.2 | Very low | 30.8 | Very low | 80 Ų | 80 | 142.7 Ų | 142.7 | 56% | 0.559 | 71% | 0.709 | S | S | * | * | trans | 80.4 | 123.8 | 140.7 | -77.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 270 | R | 27.2 | Very low | 30.5 | Very low | 208 Ų | 208 | 143.2 Ų | 143.2 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | trans | 73 | 158.9 | 140.4 | -63.3 | 170.8 | -156.3 | -154.6 | 4.1 | 115.2 | ||||
| 271 | H | 30.9 | Very low | 30.5 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 61% | 0.606 | 72% | 0.717 | S | S | * | * | cis | -157.7 | 159.4 | -7.3 | -114.1 | -24.4 | 0 | 0 | 0 | 107.9 | ||||
| 272 | Y | 32.1 | Very low | 30.9 | Very low | 203 Ų | 203 | 143.8 Ų | 143.8 | 80% | 0.796 | 72% | 0.722 | S | S | * | * | trans | 64 | 132.8 | 177.1 | -52.3 | -68.9 | 0 | 0 | 0 | 114.1 | ||||
| 273 | D | 29.1 | Very low | 30.8 | Very low | 130 Ų | 130 | 143.2 Ų | 143.2 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | cis | 89 | 141.7 | 33.6 | -158.8 | 2.4 | 0 | 0 | 0 | 113 | ||||
| 274 | H | 32.8 | Very low | 31.1 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 68% | 0.681 | 73% | 0.726 | S | S | * | * | trans | 81.6 | 136 | 173.4 | -75.7 | 32.6 | 0 | 0 | 0 | 122.4 | ||||
| 275 | H | 32.7 | Very low | 31.3 | Very low | 144 Ų | 144 | 144.4 Ų | 144.4 | 67% | 0.667 | 73% | 0.732 | S | S | * | * | trans | 58.6 | 106.8 | 156.9 | -64.2 | -66 | 0 | 0 | 0 | 123.7 | ||||
| 276 | E | 28.3 | Very low | 31.4 | Very low | 149 Ų | 149 | 143 Ų | 143 | 70% | 0.696 | 74% | 0.739 | S | S | * | * | 48.8 | 111.7 | 115.1 | -69.4 | 176.2 | 110.3 | 0 | 0 | 123.2 | |||||
| 277 | Q | 28.7 | Very low | 31.9 | Very low | 165 Ų | 165 | 136.9 Ų | 136.9 | 77% | 0.771 | 73% | 0.733 | S | S | * | * | 77.8 | 148.7 | 114.1 | -145 | 179.6 | 119.7 | 0 | 0 | 121.1 | |||||
| 278 | V | 31.1 | Very low | 32.3 | Very low | 125 Ų | 125 | 137.1 Ų | 137.1 | 76% | 0.758 | 74% | 0.74 | S | S | * | * | trans | 86.3 | 131.2 | 170.5 | -169.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 279 | P | 37.1 | Very low | 32.9 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | trans | -115 | 174.2 | -175.6 | 43.3 | -34.9 | 0 | 0 | 0 | 114.4 | ||||
| 280 | M | 29.6 | Very low | 33.5 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -168.6 | 176 | 146 | -112.2 | -51.6 | -175.8 | 0 | 0 | 113.1 | ||||
| 281 | D | 32.3 | Very low | 34 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | 65.7 | 133.9 | 162.5 | -53.7 | -41.4 | 0 | 0 | 0 | 119.3 | ||||
| 282 | S | 36.6 | Very low | 34.3 | Very low | 107 Ų | 107 | 146.6 Ų | 146.6 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | cis | -168.9 | 176.2 | -14.8 | -105 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 283 | E | 33.6 | Very low | 34.4 | Very low | 156 Ų | 156 | 146.9 Ų | 146.9 | 73% | 0.729 | 78% | 0.782 | S | S | * | * | cis | -159.8 | 168.6 | 13.8 | -149 | -163.3 | 144 | 0 | 0 | 109.3 | ||||
| 284 | L | 39.9 | Very low | 34.7 | Very low | 144 Ų | 144 | 147.2 Ų | 147.2 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | 62.1 | 138.1 | 160.8 | -59.2 | 165.5 | 0 | 0 | 0 | 119.3 | ||||
| 285 | D | 35.6 | Very low | 34.8 | Very low | 151 Ų | 151 | 145.5 Ų | 145.5 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | cis | -155.3 | 159.6 | -11.4 | -173.6 | 16.3 | 0 | 0 | 0 | 108.4 | ||||
| 286 | S | 34.6 | Very low | 34.9 | Very low | 119 Ų | 119 | 150 Ų | 150 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -104.1 | 151.3 | -160.9 | -65.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 287 | G | 35.9 | Very low | 35.3 | Very low | 72 Ų | 72 | 148.8 Ų | 148.8 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | -174.3 | 69 | 178.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 288 | S | 36.7 | Very low | 35.5 | Very low | 125 Ų | 125 | 151.7 Ų | 151.7 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | 66.1 | 103.3 | 155.1 | -51.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 289 | E | 39 | Very low | 35.9 | Very low | 191 Ų | 191 | 151.5 Ų | 151.5 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 155.8 | 159.8 | -67.8 | -178.8 | 112.2 | 0 | 0 | 112.5 | ||
| 290 | P | 40.2 | Very low | 35.8 | Very low | 125 Ų | 125 | 155.2 Ų | 155.2 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 138.1 | 166 | 33.8 | -32.2 | 0 | 0 | 0 | 112 | ||
| 291 | L | 37.2 | Very low | 36.1 | Very low | 181 Ų | 181 | 153.3 Ų | 153.3 | 95% | 0.948 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 143 | -177.4 | -69.3 | 170.3 | 0 | 0 | 0 | 113.4 | ||
| 292 | Y | 37.1 | Very low | 36.1 | Very low | 222 Ų | 222 | 157.6 Ų | 157.6 | 87% | 0.871 | 83% | 0.826 | S | S | * | * | trans | -127.7 | 111.9 | 176.4 | -174.4 | -85.5 | 0 | 0 | 0 | 109.8 | ||||
| 293 | Y | 33.8 | Very low | 36.1 | Very low | 208 Ų | 208 | 162.1 Ų | 162.1 | 82% | 0.816 | 83% | 0.826 | S | S | * | * | trans | -154.8 | 166.6 | 179.5 | -125.4 | -91.1 | 0 | 0 | 0 | 113.2 | ||||
| 294 | N | 36.4 | Very low | 36.1 | Very low | 137 Ų | 137 | 161.1 Ų | 161.1 | 73% | 0.733 | 83% | 0.826 | S | S | * | * | trans | 73 | 47.2 | 171.1 | -65.3 | -26.1 | 0 | 0 | 0 | 118.9 | ||||
| 295 | S | 33.6 | Very low | 35.8 | Very low | 111 Ų | 111 | 165.5 Ų | 165.5 | 78% | 0.776 | 83% | 0.833 | S | S | * | * | 32.4 | 101.6 | 113.2 | -51.1 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 296 | R | 35.7 | Very low | 35.6 | Very low | 239 Ų | 239 | 163.5 Ų | 163.5 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | trans | -128.2 | 144.2 | 140.7 | -72.5 | -165.8 | 177.6 | -144.7 | 0.6 | 110.3 | ||||
| 297 | P | 37.3 | Very low | 35.2 | Very low | 124 Ų | 124 | 168.7 Ų | 168.7 | 81% | 0.805 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 130.3 | -163.1 | 6.7 | 14.9 | 0 | 0 | 0 | 112.5 | ||
| 298 | Y | 33.2 | Very low | 35.2 | Very low | 225 Ų | 225 | 170.7 Ų | 170.7 | 88% | 0.882 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 134.7 | 167.9 | -81.6 | -86.2 | 0 | 0 | 0 | 111.2 | K300 | Y298-K300 PolarHBondContact O-N 2.88Š|
| 299 | P | 37.6 | Very low | 34.8 | Very low | 122 Ų | 122 | 174.4 Ų | 174.4 | 79% | 0.792 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 124.1 | 179.9 | -20 | 32.3 | 0 | 0 | 0 | 112 | ||
| 300 | K | 36.6 | Very low | 34.5 | Very low | 194 Ų | 194 | 173.9 Ų | 173.9 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -81 | 134.5 | 168.8 | -70.5 | -178.3 | 177.9 | 177.3 | 0 | 109.7 | Y298 Y302 | Y298-K300 PolarHBondContact O-N 2.88Å; K300-Y302 PolarHBondContact O-N 3.26Å |
| 301 | S | 35.8 | Very low | 34.3 | Very low | 126 Ų | 126 | 175.5 Ų | 175.5 | 88% | 0.881 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -54 | 128.7 | -179.1 | -53.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 302 | Y | 32.9 | Very low | 33.9 | Very low | 230 Ų | 230 | 177.1 Ų | 177.1 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 143.6 | 179.9 | -79.5 | -95.4 | 0 | 0 | 0 | 112.6 | K300 | K300-Y302 PolarHBondContact O-N 3.26Š|
| 303 | R | 35.8 | Very low | 33.9 | Very low | 202 Ų | 202 | 172.3 Ų | 172.3 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -131.4 | 115.6 | 152.5 | -111.9 | -175.6 | 178.5 | -172.6 | 1 | 110.4 | ||||
| 304 | N | 34.1 | Very low | 33.9 | Very low | 136 Ų | 136 | 165.9 Ų | 165.9 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | 75.7 | 122.2 | 156.1 | -55.9 | -34.1 | 0 | 0 | 0 | 121.1 | ||||
| 305 | R | 32.5 | Very low | 34 | Very low | 235 Ų | 235 | 167 Ų | 167 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | trans | 84.9 | 153.8 | 136 | -76.5 | -174.8 | 178.7 | -147.6 | -0.4 | 118.4 | ||||
| 306 | P | 31.8 | Very low | 34.1 | Very low | 109 Ų | 109 | 171.6 Ų | 171.6 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | -142.1 | 170 | -94.7 | 35.6 | -12.4 | 0 | 0 | 0 | 118.4 | |||||
| 307 | Y | 27.1 | Very low | 34 | Very low | 229 Ų | 229 | 167.2 Ų | 167.2 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | trans | 37.5 | 110.4 | 149 | -89 | -86.6 | 0 | 0 | 0 | 122.9 | ||||
| 308 | S | 34.9 | Very low | 34.1 | Very low | 113 Ų | 113 | 172.5 Ų | 172.5 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -178 | 107.5 | 132.1 | 57.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 309 | Y | 28.5 | Very low | 34.4 | Very low | 204 Ų | 204 | 166 Ų | 166 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | 70.3 | 145.3 | 82.1 | -165.9 | -98.5 | 0 | 0 | 0 | 115.6 | |||||
| 310 | R | 31.7 | Very low | 34.4 | Very low | 180 Ų | 180 | 167 Ų | 167 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | trans | 86 | 136.9 | 169.4 | -156.3 | 167 | -82.6 | -91.7 | 6.7 | 115.2 | ||||
| 311 | Q | 36.4 | Very low | 34.3 | Very low | 158 Ų | 158 | 166.9 Ų | 166.9 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | cis | -147.1 | -173.8 | -2.5 | -137.3 | 161.7 | -46.1 | 0 | 0 | 113.6 | ||||
| 312 | Y | 30.1 | Very low | 34 | Very low | 215 Ų | 215 | 167.7 Ų | 167.7 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | -100.5 | -176.3 | -151.9 | -124.5 | -104 | 0 | 0 | 0 | 118 | ||||
| 313 | T | 37.2 | Very low | 34 | Very low | 121 Ų | 121 | 164.6 Ų | 164.6 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | 81.2 | 146.7 | 177.5 | 66.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 314 | G | 33.8 | Very low | 33.5 | Very low | 74 Ų | 74 | 159.6 Ų | 159.6 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | cis | 156.3 | 173.4 | -0.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 315 | E | 36.9 | Very low | 33.4 | Very low | 159 Ų | 159 | 163.3 Ų | 163.3 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | cis | -158.3 | 153 | -7.6 | -53.7 | -172.9 | 147.7 | 0 | 0 | 106.8 | ||||
| 316 | Y | 35.6 | Very low | 33.2 | Very low | 208 Ų | 208 | 158.8 Ų | 158.8 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | trans | 98.4 | 85.2 | -176.5 | 13.5 | -127.7 | 0 | 0 | 0 | 118.3 | ||||
| 317 | E | 35.1 | Very low | 33 | Very low | 147 Ų | 147 | 156.8 Ų | 156.8 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | cis | 87.6 | 116.4 | 22.7 | -159 | 173.5 | -103.2 | 0 | 0 | 117.2 | D319 | E317-D319 WeakPolarHBondContact CG-OD2 3.43Š| ||
| 318 | W | 39.3 | Very low | 33 | Very low | 236 Ų | 236 | 156.6 Ų | 156.6 | 89% | 0.894 | 75% | 0.752 | S | S | * | * | trans | 154.8 | 97.6 | 167.1 | -76.5 | 114.1 | 0 | 0 | 0 | 105.4 | ||||
| 319 | D | 38.7 | Very low | 32.7 | Very low | 89 Ų | 89 | 158.6 Ų | 158.6 | 48% | 0.476 | 75% | 0.754 | S | S | . | * | 65.6 | 136.3 | 55.3 | -55.9 | -48.2 | 0 | 0 | 0 | 113.3 | E317 | E317-D319 WeakPolarHBondContact CG-OD2 3.43Š| |||
| 320 | D | 38.6 | Very low | 32.9 | Very low | 141 Ų | 141 | 154.9 Ų | 154.9 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | cis | -130.5 | 177.1 | 8.8 | -66.8 | -80.1 | 0 | 0 | 0 | 110.6 | ||||
| 321 | E | 33.9 | Very low | 32.8 | Very low | 192 Ų | 192 | 153.6 Ų | 153.6 | 90% | 0.897 | 75% | 0.753 | S | S | * | * | cis | -130.4 | 160.3 | 9.2 | -72.5 | -179.1 | 157.3 | 0 | 0 | 111.8 | ||||
| 322 | Q | 29.3 | Very low | 32.5 | Very low | 143 Ų | 143 | 152.6 Ų | 152.6 | 67% | 0.668 | 75% | 0.753 | S | S | * | * | trans | -114.5 | 140.7 | -171.3 | -53.2 | 167.2 | 14.4 | 0 | 0 | 112.8 | ||||
| 323 | I | 32.9 | Very low | 32.8 | Very low | 165 Ų | 165 | 150 Ų | 150 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | trans | -136 | 98.3 | 138.2 | -57.2 | -176.4 | 0 | 0 | 0 | 108.5 | ||||
| 324 | C | 26.2 | Very low | 32.7 | Very low | 98 Ų | 98 | 150.5 Ų | 150.5 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | trans | -92.3 | 143.1 | 165.3 | -59.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 325 | F | 30.9 | Very low | 32.6 | Very low | 213 Ų | 213 | 152.7 Ų | 152.7 | 93% | 0.934 | 75% | 0.745 | S | S | * | * | trans | -142.6 | 102.5 | 144.4 | -94.7 | -68.2 | 0 | 0 | 0 | 109.4 | ||||
| 326 | D | 29 | Very low | 32.4 | Very low | 141 Ų | 141 | 151.9 Ų | 151.9 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | trans | -95 | 149.2 | 176.9 | -173 | 27.7 | 0 | 0 | 0 | 111.5 | ||||
| 327 | S | 27.5 | Very low | 32.4 | Very low | 66 Ų | 66 | 148.5 Ų | 148.5 | 46% | 0.462 | 74% | 0.741 | S | S | . | * | S | Bend | trans | 11.2 | 123.2 | 153.6 | -62.5 | 0 | 0 | 0 | 0 | 120.6 | ||
| 328 | R | 26.5 | Very low | 32.2 | Very low | 226 Ų | 226 | 147.9 Ų | 147.9 | 85% | 0.853 | 74% | 0.738 | S | S | * | * | trans | 71.2 | 77.8 | 136.1 | -55.2 | 164.2 | -160.7 | 163.1 | 7.1 | 118.3 | ||||
| 329 | N | 28.8 | Very low | 31.9 | Very low | 155 Ų | 155 | 145.4 Ų | 145.4 | 83% | 0.829 | 73% | 0.729 | S | S | * | * | trans | -163.5 | 149.4 | 141.8 | -108.5 | -27.2 | 0 | 0 | 0 | 108 | ||||
| 330 | I | 32.8 | Very low | 31.6 | Very low | 125 Ų | 125 | 148 Ų | 148 | 64% | 0.641 | 74% | 0.738 | S | S | * | * | cis | -127.2 | 144.6 | 6.5 | -72.4 | 94.3 | 0 | 0 | 0 | 109.4 | ||||
| 331 | N | 29.9 | Very low | 31.3 | Very low | 153 Ų | 153 | 145 Ų | 145 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | -106.6 | 141.3 | 149.9 | -85.6 | -38.2 | 0 | 0 | 0 | 108 | ||||
| 332 | N | 30.6 | Very low | 31.2 | Very low | 138 Ų | 138 | 143.4 Ų | 143.4 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | trans | 72.6 | 111.3 | 177.3 | -51.2 | -4.3 | 0 | 0 | 0 | 116.4 | ||||
| 333 | I | 36.4 | Very low | 31.3 | Very low | 160 Ų | 160 | 146.4 Ų | 146.4 | 82% | 0.821 | 73% | 0.727 | S | S | * | * | trans | 164 | 87.1 | 153.1 | -81.6 | 149.4 | 0 | 0 | 0 | 100.9 | ||||
| 334 | D | 34.4 | Very low | 31.2 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | cis | 66.3 | 93.2 | 31.5 | -147.7 | 33.9 | 0 | 0 | 0 | 111.9 | ||||
| 335 | N | 31.8 | Very low | 31.7 | Very low | 120 Ų | 120 | 145.8 Ų | 145.8 | 64% | 0.642 | 72% | 0.721 | S | S | * | * | trans | 61.1 | 111.4 | 170.5 | -43.4 | -70.2 | 0 | 0 | 0 | 117 | ||||
| 336 | D | 33 | Very low | 31.9 | Very low | 143 Ų | 143 | 140.9 Ų | 140.9 | 77% | 0.765 | 71% | 0.705 | S | S | * | * | 172.8 | 161.7 | 87.6 | -106.9 | -35.6 | 0 | 0 | 0 | 113.9 | |||||
| 337 | L | 36 | Very low | 32.1 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 71% | 0.712 | 70% | 0.701 | S | S | * | * | trans | 50.7 | 101.4 | 156.7 | -62.4 | 161.5 | 0 | 0 | 0 | 118.2 | ||||
| 338 | Q | 30.8 | Very low | 32.4 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 63% | 0.626 | 71% | 0.709 | S | S | * | * | 74.5 | 139.1 | 66.2 | -162.7 | -173.6 | 47.5 | 0 | 0 | 114.2 | |||||
| 339 | W | 32.2 | Very low | 32.6 | Very low | 185 Ų | 185 | 139.8 Ų | 139.8 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | trans | 79.1 | 139.4 | 178.9 | -45.3 | 107.4 | 0 | 0 | 0 | 115.6 | ||||
| 340 | H | 33.2 | Very low | 32.8 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 67% | 0.667 | 70% | 0.699 | S | S | * | * | cis | -152.4 | 138.1 | 2.1 | -129.4 | -52.8 | 0 | 0 | 0 | 113.2 | ||||
| 341 | S | 31.9 | Very low | 32.6 | Very low | 78 Ų | 78 | 138.1 Ų | 138.1 | 55% | 0.545 | 70% | 0.702 | S | S | . | * | trans | 55.6 | 124.9 | 145 | -69.2 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 342 | Q | 31 | Very low | 32.8 | Very low | 157 Ų | 157 | 139.7 Ų | 139.7 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | trans | 65.8 | 124.3 | 135.8 | -60.7 | 163.5 | -52.3 | 0 | 0 | 117.6 | ||||
| 343 | Y | 32.3 | Very low | 32.8 | Very low | 206 Ų | 206 | 139 Ų | 139 | 81% | 0.808 | 71% | 0.707 | S | S | * | * | cis | -128.4 | 140.9 | 17.6 | -73.9 | -100.8 | 0 | 0 | 0 | 110.2 | ||||
| 344 | S | 30.3 | Very low | 32.3 | Very low | 97 Ų | 97 | 140.2 Ų | 140.2 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | 58.7 | 112.1 | 85.7 | -134.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 345 | Q | 35.7 | Very low | 32.1 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 72% | 0.715 | 72% | 0.719 | S | S | * | * | cis | -151.2 | 156.6 | 14.4 | -119.5 | 172.7 | -78.3 | 0 | 0 | 113.4 | ||||
| 346 | D | 36.2 | Very low | 32 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 59% | 0.594 | 72% | 0.719 | S | S | * | * | trans | 38.7 | 99.8 | 150 | -48.5 | -27.9 | 0 | 0 | 0 | 118.2 | ||||
| 347 | N | 32.3 | Very low | 31.9 | Very low | 127 Ų | 127 | 137.6 Ų | 137.6 | 68% | 0.679 | 70% | 0.698 | S | S | * | * | cis | 70.6 | 148.2 | 44.1 | -55.3 | -54.6 | 0 | 0 | 0 | 116.8 | ||||
| 348 | N | 34.9 | Very low | 31.7 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 63% | 0.626 | 69% | 0.689 | S | S | * | * | trans | 96 | 139.6 | 152.3 | -58.9 | -30.2 | 0 | 0 | 0 | 120.8 | ||||
| 349 | F | 30.2 | Very low | 31.6 | Very low | 165 Ų | 165 | 135.9 Ų | 135.9 | 72% | 0.724 | 69% | 0.69 | S | S | * | * | cis | 177.4 | 168.5 | -40.7 | -121.3 | -81 | 0 | 0 | 0 | 107.1 | ||||
| 350 | I | 33.5 | Very low | 31.7 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 74% | 0.744 | 70% | 0.699 | S | S | * | * | trans | 67.6 | 113 | 159.3 | -64.8 | 150.3 | 0 | 0 | 0 | 114.6 | ||||
| 351 | S | 28.7 | Very low | 31.6 | Very low | 101 Ų | 101 | 139.2 Ų | 139.2 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | cis | 79.8 | 114.4 | 46 | -55.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 352 | E | 32.5 | Very low | 31.5 | Very low | 186 Ų | 186 | 143 Ų | 143 | 87% | 0.869 | 72% | 0.715 | S | S | * | * | trans | 46.8 | 143.3 | 139.7 | -89.9 | 172.1 | -142.5 | 0 | 0 | 121.6 | ||||
| 353 | P | 30.9 | Very low | 31.4 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 79% | 0.792 | 71% | 0.707 | S | S | * | * | -150.2 | 170.6 | 65.1 | 41.2 | -22.1 | 0 | 0 | 0 | 118.2 | |||||
| 354 | E | 27.6 | Very low | 31.3 | Very low | 186 Ų | 186 | 140 Ų | 140 | 87% | 0.869 | 70% | 0.702 | S | S | * | * | trans | -73.6 | 146.3 | 157.8 | -59.4 | -175.1 | 135.2 | 0 | 0 | 111.5 | ||||
| 355 | C | 30.1 | Very low | 31.1 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 91% | 0.912 | 70% | 0.698 | S | S | * | * | trans | -158.3 | 173.8 | 152 | -121.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 356 | F | 27.7 | Very low | 31 | Very low | 146 Ų | 146 | 139.2 Ų | 139.2 | 64% | 0.64 | 70% | 0.696 | S | S | * | * | trans | -113.8 | -178 | -157.4 | -117.8 | -113.1 | 0 | 0 | 0 | 114.2 | Y521 | F356-Y521 HydrophobicContact CD1-CE2 4.05Å; F356-Y521 HydrophobicContact CE1-CE2 4.07Å; F356-Y521 WeakPolarHBondContact CE2-OH 3.1Å; F356-Y521 HydrophobicContact CG-CE2 4.32Å; F356-Y521 HydrophobicContact CZ-CE2 4.35Å; F356-Y521 WeakPolarHBondContact CZ-OH 3.32Å | ||
| 357 | D | 30.8 | Very low | 30.7 | Very low | 59 Ų | 59 | 140.1 Ų | 140.1 | 32% | 0.316 | 70% | 0.701 | S | S | . | * | trans | 79.5 | 96.7 | 153.4 | -69.1 | -29.3 | 0 | 0 | 0 | 120.9 | K520 | D357-K520 IonicContact OD2-NZ 2.68Å; D357-K520 PolarHBondContact OD2-NZ 2.95Å | ||
| 358 | Q | 32.5 | Very low | 30.6 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 53% | 0.533 | 71% | 0.705 | S | S | . | * | 73.8 | 140.7 | 107.3 | -78.7 | -176.6 | 75 | 0 | 0 | 123.6 | E519 | Q358-E519 PolarHBondContact NE2-OE1 2.94Š| |||
| 359 | N | 29.3 | Very low | 30.2 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 64% | 0.642 | 71% | 0.709 | S | S | * | * | trans | 59.5 | 120.6 | 149.9 | -61.3 | -38.6 | 0 | 0 | 0 | 119.7 | ||||
| 360 | Y | 34.4 | Very low | 30.5 | Very low | 224 Ų | 224 | 134.3 Ų | 134.3 | 88% | 0.878 | 71% | 0.708 | S | S | * | * | -160.7 | 146.7 | 92.5 | -113.7 | -84.6 | 0 | 0 | 0 | 111.6 | |||||
| 361 | Q | 30.4 | Very low | 30.2 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | trans | -84.4 | 169 | 169.7 | -73.3 | -173.4 | -12.1 | 0 | 0 | 111.7 | ||||
| 362 | Q | 31 | Very low | 30.2 | Very low | 156 Ų | 156 | 133 Ų | 133 | 73% | 0.729 | 71% | 0.711 | S | S | * | * | trans | 122.1 | 138.2 | 155.5 | -69.3 | 178.6 | 25.7 | 0 | 0 | 113.3 | ||||
| 363 | Q | 28 | Very low | 30.1 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 58% | 0.579 | 71% | 0.711 | S | S | * | * | cis | -168.5 | -175.9 | -16.7 | -124.3 | 169.5 | -6.3 | 0 | 0 | 108.9 | ||||
| 364 | Y | 30.8 | Very low | 30 | Very low | 178 Ų | 178 | 138.7 Ų | 138.7 | 70% | 0.698 | 71% | 0.71 | S | S | * | * | trans | 68.1 | 90.7 | 162.5 | -57.5 | -57.5 | 0 | 0 | 0 | 119.5 | ||||
| 365 | S | 25.3 | Very low | 30.1 | Very low | 84 Ų | 84 | 135 Ų | 135 | 59% | 0.587 | 70% | 0.695 | S | S | * | * | -8.1 | 172.6 | 122.1 | 54.3 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 366 | H | 33.6 | Very low | 30.2 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 69% | 0.685 | 68% | 0.677 | S | S | * | * | trans | 87.9 | 147.4 | 173.2 | -49.4 | -65.1 | 0 | 0 | 0 | 115 | ||||
| 367 | N | 29.3 | Very low | 30.7 | Very low | 131 Ų | 131 | 136.5 Ų | 136.5 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | cis | -167 | 168.7 | -29.1 | -105.4 | -8.9 | 0 | 0 | 0 | 106.6 | ||||
| 368 | S | 30.5 | Very low | 30.8 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | trans | 35.9 | 128.2 | 149.8 | 59.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 369 | G | 27.9 | Very low | 30.7 | Very low | 68 Ų | 68 | 138.9 Ų | 138.9 | 70% | 0.701 | 70% | 0.701 | S | S | * | * | trans | -69.7 | -158.1 | 152.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 370 | P | 35.3 | Very low | 30.8 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 71% | 0.714 | 70% | 0.702 | S | S | * | * | cis | -129.9 | -161.1 | 10.8 | 43.5 | -26.7 | 0 | 0 | 0 | 113.3 | ||||
| 371 | D | 27.9 | Very low | 31.2 | Very low | 152 Ų | 152 | 132.6 Ų | 132.6 | 81% | 0.813 | 70% | 0.695 | S | S | * | * | trans | 39.2 | 99.7 | 149.7 | -56.7 | -22.1 | 0 | 0 | 0 | 120.1 | ||||
| 372 | G | 28.3 | Very low | 31.4 | Very low | 68 Ų | 68 | 129.9 Ų | 129.9 | 70% | 0.701 | 69% | 0.692 | S | S | * | * | 62.5 | 134.9 | 128.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 373 | Y | 31 | Very low | 31.7 | Very low | 221 Ų | 221 | 127.4 Ų | 127.4 | 87% | 0.867 | 69% | 0.69 | S | S | * | * | -174.4 | 115.6 | 118.2 | -97.8 | -50.9 | 0 | 0 | 0 | 113.9 | |||||
| 374 | R | 28.4 | Very low | 31.6 | Very low | 206 Ų | 206 | 125.9 Ų | 125.9 | 78% | 0.777 | 69% | 0.692 | S | S | * | * | 78.8 | 158.7 | 115.4 | -138.2 | -174.6 | 157 | 178.9 | -6 | 122 | |||||
| 375 | I | 30.4 | Very low | 31.4 | Very low | 107 Ų | 107 | 125.8 Ų | 125.8 | 55% | 0.549 | 70% | 0.699 | S | S | . | * | trans | 85.4 | 98.9 | 157.6 | -63 | -162.3 | 0 | 0 | 0 | 116.4 | ||||
| 376 | D | 31.5 | Very low | 31.4 | Very low | 101 Ų | 101 | 127.5 Ų | 127.5 | 54% | 0.54 | 71% | 0.709 | S | S | . | * | 53.1 | 139.8 | 117.6 | -36.7 | -23.9 | 0 | 0 | 0 | 117.8 | L378 | D376-L378 HydrophobicContact CB-CD1 4.4Š| |||
| 377 | W | 39.1 | Very low | 31 | Very low | 213 Ų | 213 | 124.6 Ų | 124.6 | 81% | 0.807 | 71% | 0.705 | S | S | * | * | cis | -123.1 | 146 | 32 | -69.9 | 71 | 0 | 0 | 0 | 111.8 | ||||
| 378 | L | 31.1 | Very low | 31.1 | Very low | 107 Ų | 107 | 126.1 Ų | 126.1 | 56% | 0.56 | 71% | 0.708 | S | S | * | * | 57.5 | 130.5 | 65.7 | -94.4 | 84.3 | 0 | 0 | 0 | 111.9 | D376 | D376-L378 HydrophobicContact CB-CD1 4.4Š| |||
| 379 | D | 31.4 | Very low | 30.9 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 62% | 0.615 | 70% | 0.702 | S | S | * | * | cis | -162.7 | 175.8 | 2.8 | -148.9 | -1.1 | 0 | 0 | 0 | 112.8 | ||||
| 380 | N | 31.5 | Very low | 30.9 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 67% | 0.674 | 70% | 0.702 | S | S | * | * | trans | 58.7 | 96 | 151.4 | -65.5 | -45.9 | 0 | 0 | 0 | 118.4 | ||||
| 381 | A | 42.8 | Very low | 30.6 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 72% | 0.719 | 70% | 0.704 | S | S | * | * | -48 | 162.4 | 124.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 382 | P | 34.4 | Very low | 30.6 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 76% | 0.76 | 69% | 0.694 | S | S | * | * | -142.7 | -147.5 | 108.6 | 42.2 | -25.5 | 0 | 0 | 0 | 110.6 | |||||
| 383 | P | 36.5 | Very low | 30.5 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 68% | 0.682 | 69% | 0.691 | S | S | * | * | -132 | -154.7 | -118.3 | 38.9 | -15.4 | 0 | 0 | 0 | 112.5 | |||||
| 384 | S | 27.6 | Very low | 30.3 | Very low | 91 Ų | 91 | 130 Ų | 130 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | trans | 69.5 | 165.6 | 148 | 55.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 385 | E | 25.8 | Very low | 30.2 | Very low | 177 Ų | 177 | 128.3 Ų | 128.3 | 83% | 0.827 | 68% | 0.675 | S | S | * | * | trans | 62.2 | 88.2 | 167.4 | -70.9 | 163.9 | -151.4 | 0 | 0 | 115.3 | ||||
| 386 | C | 24.5 | Very low | 30.1 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | 66 | 117.3 | 63.7 | -166.6 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 387 | S | 26.5 | Very low | 29.8 | Very low | 87 Ų | 87 | 127 Ų | 127 | 61% | 0.608 | 68% | 0.675 | S | S | * | * | 170.2 | 153.9 | 109.7 | 51.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 388 | H | 30.1 | Very low | 29.2 | Very low | 164 Ų | 164 | 122.4 Ų | 122.4 | 76% | 0.759 | 67% | 0.666 | S | S | * | * | trans | 63.7 | 137.9 | 167.7 | -56.9 | -61.5 | 0 | 0 | 0 | 118 | E390 | H388-E390 IonicContact ND1-OE2 3.95Š| ||
| 389 | S | 28.3 | Very low | 29 | Very low | 91 Ų | 91 | 126.1 Ų | 126.1 | 64% | 0.636 | 67% | 0.674 | S | S | * | * | cis | -155.7 | 138.7 | -5 | 44.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 390 | E | 27.1 | Very low | 28.9 | Very low | 150 Ų | 150 | 126.1 Ų | 126.1 | 70% | 0.701 | 67% | 0.67 | S | S | * | * | 35.1 | 133.8 | 122.6 | -60.3 | 131.9 | 153.1 | 0 | 0 | 118 | H388 | H388-E390 IonicContact ND1-OE2 3.95Š| |||
| 391 | E | 28.3 | Very low | 28.9 | Very low | 162 Ų | 162 | 126.1 Ų | 126.1 | 76% | 0.757 | 67% | 0.67 | S | S | * | * | cis | -131.3 | 152.6 | 19.4 | -97.2 | 126.3 | -142.6 | 0 | 0 | 111.5 | ||||
| 392 | E | 27.8 | Very low | 28.5 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 58% | 0.584 | 67% | 0.668 | S | S | * | * | 59.5 | 123.4 | 72.6 | -119.5 | -175.5 | -174.9 | 0 | 0 | 111 | |||||
| 393 | Y | 27.5 | Very low | 28.4 | Very low | 167 Ų | 167 | 131.3 Ų | 131.3 | 66% | 0.655 | 67% | 0.666 | S | S | * | * | cis | -131.8 | 132.8 | 29.6 | -94.4 | -104.7 | 0 | 0 | 0 | 110.4 | ||||
| 394 | M | 26.1 | Very low | 28.2 | Very low | 113 Ų | 113 | 131 Ų | 131 | 56% | 0.557 | 66% | 0.659 | S | S | * | * | 65 | 137.9 | 86.1 | -74 | -156.1 | -162.8 | 0 | 0 | 115.7 | |||||
| 395 | F | 27.1 | Very low | 28.6 | Very low | 170 Ų | 170 | 133.8 Ų | 133.8 | 75% | 0.746 | 66% | 0.662 | S | S | * | * | trans | 62.4 | 134.4 | 142.3 | -75 | -128.2 | 0 | 0 | 0 | 116.9 | ||||
| 396 | D | 27.6 | Very low | 28.8 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 60% | 0.599 | 65% | 0.653 | S | S | * | * | cis | -152.4 | 175.3 | 1.9 | -130.8 | 15.1 | 0 | 0 | 0 | 108.2 | ||||
| 397 | S | 26 | Very low | 28.9 | Very low | 70 Ų | 70 | 130.3 Ų | 130.3 | 49% | 0.49 | 64% | 0.643 | S | S | . | * | 39.5 | 137.4 | 79.4 | 127.8 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 398 | N | 25.7 | Very low | 29 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 62% | 0.615 | 65% | 0.652 | S | S | * | * | cis | -165.1 | 162.3 | 11.2 | -118.5 | -27.2 | 0 | 0 | 0 | 107.7 | ||||
| 399 | Y | 27.2 | Very low | 29 | Very low | 186 Ų | 186 | 133.5 Ų | 133.5 | 73% | 0.729 | 65% | 0.65 | S | S | * | * | trans | 69.1 | 153.8 | 143.4 | -74.9 | -146.4 | 0 | 0 | 0 | 116.4 | ||||
| 400 | E | 28.7 | Very low | 29.2 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 54% | 0.537 | 65% | 0.65 | S | S | . | * | cis | -146.2 | 168.2 | -15.8 | -126.2 | -168.9 | 128.7 | 0 | 0 | 110.9 | ||||
| 401 | N | 32.2 | Very low | 29.2 | Very low | 125.5 Ų | 125.5 | 133.2 Ų | 133.2 | 67% | 0.671 | 65% | 0.65 | S | S | * | * | trans | 40.3 | 142.8 | 144.9 | -54.1 | -53 | 0 | 0 | 0 | 115.9 | ||||
| 402 | L | 33.4 | Very low | 29.6 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 68% | 0.675 | 65% | 0.645 | S | S | * | * | cis | -143.7 | 136.7 | 23.2 | -93.8 | 100.6 | 0 | 0 | 0 | 112 | ||||
| 403 | Y | 33.6 | Very low | 29.6 | Very low | 184 Ų | 184 | 128.9 Ų | 128.9 | 72% | 0.722 | 64% | 0.64 | S | S | * | * | trans | 69.9 | 132 | 134.7 | -81.5 | -130.6 | 0 | 0 | 0 | 120.3 | ||||
| 404 | N | 32 | Very low | 29.8 | Very low | 98.5 Ų | 98.5 | 127.7 Ų | 127.7 | 53% | 0.527 | 64% | 0.638 | S | S | . | * | 76.8 | 124.7 | 107.6 | -71.2 | -15.8 | 0 | 0 | 0 | 115.6 | |||||
| 405 | Q | 34.8 | Very low | 30 | Very low | 149.5 Ų | 149.5 | 132.1 Ų | 132.1 | 70% | 0.699 | 65% | 0.65 | S | S | * | * | cis | 157.1 | 136.9 | 39.6 | -84.1 | 145.3 | 26.5 | 0 | 0 | 110.7 | ||||
| 406 | Q | 30.2 | Very low | 30.2 | Very low | 137 Ų | 137 | 134 Ų | 134 | 64% | 0.64 | 65% | 0.653 | S | S | * | * | cis | 134.9 | 123.2 | 42.6 | -89.1 | 166 | 3.3 | 0 | 0 | 109.4 | ||||
| 407 | S | 27.4 | Very low | 30.5 | Very low | 86 Ų | 86 | 138.1 Ų | 138.1 | 60% | 0.601 | 66% | 0.661 | S | S | * | * | 79.9 | 127.5 | 93 | -62.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 408 | Y | 29 | Very low | 30.9 | Very low | 199.5 Ų | 199.5 | 138.6 Ų | 138.6 | 78% | 0.782 | 67% | 0.665 | S | S | * | * | trans | 87.4 | 144.3 | 130.1 | -61.8 | -55.8 | 0 | 0 | 0 | 114.9 | ||||
| 409 | T | 28.7 | Very low | 31.2 | Very low | 119.5 Ų | 119.5 | 135.7 Ų | 135.7 | 73% | 0.733 | 66% | 0.661 | S | S | * | * | 125.8 | 162 | -116.7 | 58.4 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 410 | T | 32.6 | Very low | 31.5 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 64% | 0.638 | 67% | 0.665 | S | S | * | * | 144 | 130.1 | 69.4 | -4.1 | 0 | 0 | 0 | 0 | 117.3 | I412 | T410-I412 HydrophobicContact CG2-CD1 3.76Å; T410-I412 HydrophobicContact CG2-CG1 4.26Å | |||
| 411 | N | 28.1 | Very low | 31.7 | Very low | 130 Ų | 130 | 135 Ų | 135 | 70% | 0.695 | 66% | 0.664 | S | S | * | * | trans | 138 | 127 | 141.1 | -81.9 | -17.3 | 0 | 0 | 0 | 113.2 | ||||
| 412 | I | 36.4 | Very low | 31.8 | Very low | 128.5 Ų | 128.5 | 135.5 Ų | 135.5 | 66% | 0.659 | 67% | 0.667 | S | S | * | * | 75.7 | 108.9 | 52.6 | -59.9 | 171.4 | 0 | 0 | 0 | 110.3 | T410 | T410-I412 HydrophobicContact CG2-CD1 3.76Å; T410-I412 HydrophobicContact CG2-CG1 4.26Å | |||
| 413 | S | 28 | Very low | 32 | Very low | 68.5 Ų | 68.5 | 136.5 Ų | 136.5 | 48% | 0.479 | 67% | 0.672 | S | S | . | * | -147.9 | 150.3 | 60.1 | 4.3 | 0 | 0 | 0 | 0 | 114.4 | Y415 S418 G419 R420 | S413-Y415 PolarHBondContact O-N 3.01Å; S413-S418 CarbonylContact C-O 3.48Å; S413-S418 PolarHBondContact N-O 3.15Å; S413-S418 CarbonylContact O-C 3.52Å; S413-S418 WeakPolarHBondContact O-CA 3.47Å; S413-S418 WeakPolarHBondContact O-CB 3.48Å; S413-G419 CarbonylContact C-O 2.95Å; S413-G419 WeakPolarHBondContact CA-O 3.35Å; S413-G419 PolarHBondContact N-O 3.22Å; S413-G419 PolarHBondContact O-N 3.23Å; S413-G419 PolarHBondContact OG-O 2.82Å; S413-R420 WeakPolarHBondContact OG-CD 3.3Å | |||
| 414 | K | 30.8 | Very low | 32.3 | Very low | 141 Ų | 141 | 135.4 Ų | 135.4 | 61% | 0.613 | 67% | 0.674 | S | S | * | * | trans | -11.9 | 130 | 131.5 | -49.1 | 173.3 | -175.4 | 179.9 | 0 | 111 | Y417 | K414-Y417 HydrophobicContact CD-CD1 4.14Å; K414-Y417 HydrophobicContact CD-CD2 4.23Å; K414-Y417 HydrophobicContact CD-CE1 3.79Å; K414-Y417 HydrophobicContact CD-CE2 3.86Å; K414-Y417 HydrophobicContact CD-CG 4.33Å; K414-Y417 VanDerWaalsContact CE-CZ 3.49Å; K414-Y417 HydrophobicContact CG-CD1 4.14Å; K414-Y417 HydrophobicContact CG-CD2 4.15Å; K414-Y417 HydrophobicContact CG-CE1 4.31Å; K414-Y417 HydrophobicContact CG-CE2 4.29Å; K414-Y417 HydrophobicContact CG-CG 4.03Å; K414-Y417 VanDerWaalsContact NZ-CE1 3.28Å; K414-Y417 VanDerWaalsContact NZ-CZ 3.33Å; K414-Y417 PolarHBondContact NZ-OH 3.43Å | ||
| 415 | Y | 30.3 | Very low | 32.5 | Very low | 205 Ų | 205 | 137.2 Ų | 137.2 | 80% | 0.804 | 68% | 0.679 | S | S | * | * | S | Bend | -149.4 | 149.9 | 60 | -89 | -89.1 | 0 | 0 | 0 | 115.3 | S413 S418 | S413-Y415 PolarHBondContact O-N 3.01Å; Y415-S418 WeakPolarHBondContact O-CB 3.5Å; Y415-S418 PolarHBondContact O-OG 2.8Å | |
| 416 | R | 30.9 | Very low | 32.5 | Very low | 211 Ų | 211 | 139.3 Ų | 139.3 | 80% | 0.796 | 68% | 0.682 | S | S | * | * | S | Bend | -63.8 | 123.9 | 70.8 | -58.2 | 177.3 | -172 | 176.5 | 2.5 | 111.3 | S418 | R416-S418 WeakPolarHBondContact CA-OG 3.21Å; R416-S418 PolarHBondContact N-OG 3.43Å; R416-S418 PolarHBondContact O-OG 3.23Å | |
| 417 | Y | 33.7 | Very low | 32.8 | Very low | 197.5 Ų | 197.5 | 139.2 Ų | 139.2 | 78% | 0.775 | 69% | 0.685 | S | S | * | * | S | Bend | 132.3 | 120.7 | 120.9 | -90.3 | -99.7 | 0 | 0 | 0 | 114 | K414 | K414-Y417 HydrophobicContact CD-CD1 4.14Å; K414-Y417 HydrophobicContact CD-CD2 4.23Å; K414-Y417 HydrophobicContact CD-CE1 3.79Å; K414-Y417 HydrophobicContact CD-CE2 3.86Å; K414-Y417 HydrophobicContact CD-CG 4.33Å; K414-Y417 VanDerWaalsContact CE-CZ 3.49Å; K414-Y417 HydrophobicContact CG-CD1 4.14Å; K414-Y417 HydrophobicContact CG-CD2 4.15Å; K414-Y417 HydrophobicContact CG-CE1 4.31Å; K414-Y417 HydrophobicContact CG-CE2 4.29Å; K414-Y417 HydrophobicContact CG-CG 4.03Å; K414-Y417 VanDerWaalsContact NZ-CE1 3.28Å; K414-Y417 VanDerWaalsContact NZ-CZ 3.33Å; K414-Y417 PolarHBondContact NZ-OH 3.43Å | |
| 418 | S | 36.2 | Very low | 33.1 | Very low | 81 Ų | 81 | 145.3 Ų | 145.3 | 57% | 0.566 | 70% | 0.696 | S | S | * | * | trans | -106.5 | 170.9 | -161.8 | -133.1 | 0 | 0 | 0 | 0 | 115.3 | S413 Y415 R416 | S413-S418 CarbonylContact C-O 3.48Å; S413-S418 PolarHBondContact N-O 3.15Å; S413-S418 CarbonylContact O-C 3.52Å; S413-S418 WeakPolarHBondContact O-CA 3.47Å; S413-S418 WeakPolarHBondContact O-CB 3.48Å; Y415-S418 WeakPolarHBondContact O-CB 3.5Å; Y415-S418 PolarHBondContact O-OG 2.8Å; R416-S418 WeakPolarHBondContact CA-OG 3.21Å; R416-S418 PolarHBondContact N-OG 3.43Å; R416-S418 PolarHBondContact O-OG 3.23Å | ||
| 419 | G | 30.2 | Very low | 33.3 | Very low | 53 Ų | 53 | 141.1 Ų | 141.1 | 55% | 0.546 | 69% | 0.694 | S | S | . | * | trans | -145.8 | 160.7 | 157.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | S413 | S413-G419 CarbonylContact C-O 2.95Å; S413-G419 WeakPolarHBondContact CA-O 3.35Å; S413-G419 PolarHBondContact N-O 3.22Å; S413-G419 PolarHBondContact O-N 3.23Å; S413-G419 PolarHBondContact OG-O 2.82Å | ||
| 420 | R | 33.8 | Very low | 33.4 | Very low | 215.5 Ų | 215.5 | 144.1 Ų | 144.1 | 81% | 0.813 | 70% | 0.7 | S | S | * | * | trans | 70.7 | 147.6 | -153.7 | -73.2 | -172.2 | 164.1 | -168.2 | -8.4 | 114.9 | S413 | S413-R420 WeakPolarHBondContact OG-CD 3.3Š| ||
| 421 | S | 33.1 | Very low | 33.5 | Very low | 71.5 Ų | 71.5 | 145.4 Ų | 145.4 | 50% | 0.5 | 71% | 0.709 | S | S | . | * | cis | 130.7 | 130.9 | 6.2 | 79.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 422 | D | 35 | Very low | 33.8 | Very low | 137 Ų | 137 | 144.4 Ų | 144.4 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | 135.7 | -169.3 | 66.4 | -56.5 | -53 | 0 | 0 | 0 | 114.9 | |||||
| 423 | D | 38.2 | Very low | 33.7 | Very low | 149 Ų | 149 | 144 Ų | 144 | 80% | 0.797 | 72% | 0.716 | S | S | * | * | trans | 75.1 | 130.5 | 161.7 | -47.5 | -25.9 | 0 | 0 | 0 | 119.4 | ||||
| 424 | E | 38.2 | Very low | 34 | Very low | 161 Ų | 161 | 147.9 Ų | 147.9 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | 132.4 | 129.9 | 70.3 | -75.1 | -61.9 | -159 | 0 | 0 | 113.6 | |||||
| 425 | E | 36.4 | Very low | 34.1 | Very low | 136 Ų | 136 | 149 Ų | 149 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | 122.3 | 152.9 | 61.4 | -163.5 | -176.6 | -146.7 | 0 | 0 | 113.7 | L427 | E425-L427 HydrophobicContact CG-CD1 4.16Š| |||
| 426 | Y | 36.5 | Very low | 34.2 | Very low | 194 Ų | 194 | 147 Ų | 147 | 76% | 0.761 | 74% | 0.737 | S | S | * | * | trans | 147.4 | 87.3 | 154.3 | -78.7 | -73 | 0 | 0 | 0 | 116.5 | ||||
| 427 | L | 35.8 | Very low | 34.2 | Very low | 134.5 Ų | 134.5 | 142.2 Ų | 142.2 | 70% | 0.704 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -6.8 | 102.8 | 142.3 | -67.5 | 126.4 | 0 | 0 | 0 | 114.5 | E425 | E425-L427 HydrophobicContact CG-CD1 4.16Š|
| 428 | Y | 32.7 | Very low | 34.3 | Very low | 213.5 Ų | 213.5 | 138.2 Ų | 138.2 | 84% | 0.837 | 73% | 0.734 | S | S | * | * | -164.7 | 131.8 | 118.5 | -101.1 | -83.8 | 0 | 0 | 0 | 110.8 | |||||
| 429 | P | 33.7 | Very low | 34.2 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | trans | -99.5 | 176.2 | -163.9 | 38.7 | -35.4 | 0 | 0 | 0 | 114.5 | ||||
| 430 | Q | 31 | Very low | 34.3 | Very low | 182.5 Ų | 182.5 | 148 Ų | 148 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 146.7 | 175.3 | -62.8 | -179.5 | -80.3 | 0 | 0 | 113.2 | S432 | Q430-S432 PolarHBondContact O-N 3.44Š|
| 431 | P | 35.4 | Very low | 34.2 | Very low | 129.5 Ų | 129.5 | 142.2 Ų | 142.2 | 84% | 0.841 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 127.8 | 159.5 | 8.1 | 1 | 0 | 0 | 0 | 111.2 | ||
| 432 | S | 33.4 | Very low | 34.1 | Very low | 110.5 Ų | 110.5 | 145.6 Ų | 145.6 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 160.3 | 161.3 | 56.9 | 0 | 0 | 0 | 0 | 109.5 | Q430 | Q430-S432 PolarHBondContact O-N 3.44Š|
| 433 | V | 34.8 | Very low | 34 | Very low | 120.5 Ų | 120.5 | 145.2 Ų | 145.2 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | S | Bend | -106.7 | 165.4 | 96.8 | -161.6 | 0 | 0 | 0 | 0 | 109.5 | |||
| 434 | D | 33.5 | Very low | 33.7 | Very low | 149.5 Ų | 149.5 | 141.3 Ų | 141.3 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | trans | 65.5 | 112.4 | 169.6 | -58.1 | -36.6 | 0 | 0 | 0 | 116.7 | ||||
| 435 | E | 34.2 | Very low | 33.6 | Very low | 163.5 Ų | 163.5 | 139.7 Ų | 139.7 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | -148.7 | 155.7 | 71.5 | -91.8 | -175.5 | 159.7 | 0 | 0 | 113.7 | |||||
| 436 | Q | 32.1 | Very low | 33.4 | Very low | 164 Ų | 164 | 142.9 Ų | 142.9 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | 54.9 | 80.7 | 149.6 | -61.3 | 172.6 | 60.2 | 0 | 0 | 119.7 | ||||
| 437 | S | 30.7 | Very low | 33.3 | Very low | 110.5 Ų | 110.5 | 138.4 Ų | 138.4 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -20.4 | 156.8 | 132.6 | 124.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 438 | P | 35.5 | Very low | 33.1 | Very low | 113.5 Ų | 113.5 | 139.3 Ų | 139.3 | 74% | 0.737 | 78% | 0.782 | S | S | * | * | cis | -139.4 | -178.6 | 21.3 | 37.5 | -17 | 0 | 0 | 0 | 116.4 | ||||
| 439 | V | 33.8 | Very low | 33.3 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | trans | 147.6 | 114.4 | 136.3 | 163.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 440 | Y | 32.2 | Very low | 33.6 | Very low | 216.5 Ų | 216.5 | 138.5 Ų | 138.5 | 85% | 0.849 | 78% | 0.784 | S | S | * | * | trans | 33.5 | 131 | 147.7 | -70 | -90.7 | 0 | 0 | 0 | 121.7 | ||||
| 441 | S | 31.4 | Very low | 34.1 | Very low | 94 Ų | 94 | 138.1 Ų | 138.1 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | -111 | 148.9 | 87 | -87.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 442 | D | 32.6 | Very low | 34.3 | Very low | 141.5 Ų | 141.5 | 137.7 Ų | 137.7 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | 121.6 | 141.6 | 123.4 | -76.7 | -28.8 | 0 | 0 | 0 | 118.5 | |||||
| 443 | C | 32.7 | Very low | 34.7 | Very low | 128.5 Ų | 128.5 | 140.1 Ų | 140.1 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | trans | 74.5 | 109.6 | 150.4 | -63.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 444 | G | 32.1 | Very low | 34.9 | Very low | 67 Ų | 67 | 144.9 Ų | 144.9 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | trans | 121.4 | 105.4 | 142.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 445 | P | 35 | Very low | 35.2 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | trans | -86.1 | 131.6 | 174 | 33.4 | -31.7 | 0 | 0 | 0 | 112.4 | ||||
| 446 | F | 32.9 | Very low | 35.5 | Very low | 203.5 Ų | 203.5 | 138.7 Ų | 138.7 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | trans | -104.4 | 113.4 | 156.9 | -81.5 | -86.5 | 0 | 0 | 0 | 108.7 | ||||
| 447 | S | 34 | Very low | 35.8 | Very low | 98.5 Ų | 98.5 | 137.2 Ų | 137.2 | 69% | 0.689 | 76% | 0.764 | S | S | * | * | trans | -121.3 | 123.2 | 166.1 | -13.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 448 | D | 31.7 | Very low | 36 | Very low | 155 Ų | 155 | 141.4 Ų | 141.4 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | trans | 23.6 | 107.7 | 138.8 | -45.7 | -33.2 | 0 | 0 | 0 | 117.5 | ||||
| 449 | I | 37.6 | Very low | 36 | Very low | 161.5 Ų | 161.5 | 142.5 Ų | 142.5 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | trans | -115.6 | 113.9 | 156.4 | -63.2 | 179.3 | 0 | 0 | 0 | 107.2 | ||||
| 450 | D | 38.5 | Very low | 35.9 | Very low | 147.5 Ų | 147.5 | 143.5 Ų | 143.5 | 79% | 0.789 | 77% | 0.769 | S | S | * | * | trans | -2.8 | 115.7 | 170.4 | -57.7 | -41.6 | 0 | 0 | 0 | 116 | ||||
| 451 | E | 41.3 | Very low | 35.9 | Very low | 174.5 Ų | 174.5 | 143.4 Ų | 143.4 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | trans | -67.5 | 139.2 | 157.6 | -71.6 | -167.9 | 117.3 | 0 | 0 | 109.9 | D453 | E451-D453 VanDerWaalsContact C-N 3.31Å; E451-D453 PolarHBondContact O-N 3.09Å | ||
| 452 | P | 40.8 | Very low | 36 | Very low | 120.5 Ų | 120.5 | 151 Ų | 151 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | trans | -76.3 | 102.3 | 171.2 | 30.2 | -32.5 | 0 | 0 | 0 | 110.1 | W454 | P452-W454 PolarHBondContact O-N 3.15Å; P452-W454 VanDerWaalsContact O-N 3.12Å | ||
| 453 | D | 41.9 | Very low | 36.1 | Very low | 161.5 Ų | 161.5 | 153.2 Ų | 153.2 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -50.4 | 108.5 | 179.1 | -116.4 | -25.9 | 0 | 0 | 0 | 111.6 | E451 N455 | E451-D453 VanDerWaalsContact C-N 3.31Å; E451-D453 PolarHBondContact O-N 3.09Å; D453-N455 PolarHBondContact O-N 3.19Å | ||
| 454 | W | 38.8 | Very low | 36.1 | Very low | 220.5 Ų | 220.5 | 151 Ų | 151 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -83.2 | 68.3 | -175.1 | -152.6 | 38.4 | 0 | 0 | 0 | 111.3 | P452 P456 | P452-W454 PolarHBondContact O-N 3.15Å; P452-W454 VanDerWaalsContact O-N 3.12Å; W454-P456 VanDerWaalsContact O-CD 3.24Å; W454-P456 WeakPolarHBondContact O-CD 3.38Å; W454-P456 VanDerWaalsContact O-N 3.14Å | ||
| 455 | N | 39.5 | Very low | 36 | Very low | 82.5 Ų | 82.5 | 150.8 Ų | 150.8 | 44% | 0.441 | 79% | 0.786 | S | S | . | * | trans | -55.6 | 116.5 | -179.5 | -176.3 | -21.5 | 0 | 0 | 0 | 111.2 | D453 D457 | D453-N455 PolarHBondContact O-N 3.19Å; N455-D457 VanDerWaalsContact C-N 3.32Å; N455-D457 PolarHBondContact O-N 3.45Å; N455-D457 VanDerWaalsContact O-N 3.16Å; N455-D457 PolarHBondContact OD1-N 3.23Å; N455-D457 VanDerWaalsContact OD1-N 3.09Å | ||
| 456 | P | 39.9 | Very low | 35.9 | Very low | 100.5 Ų | 100.5 | 152.7 Ų | 152.7 | 65% | 0.653 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -15.1 | -174.9 | 3.6 | -0.3 | 0 | 0 | 0 | 115 | W454 | W454-P456 VanDerWaalsContact O-CD 3.24Å; W454-P456 WeakPolarHBondContact O-CD 3.38Å; W454-P456 VanDerWaalsContact O-N 3.14Å |
| 457 | D | 39.7 | Very low | 35.8 | Very low | 133 Ų | 133 | 153.7 Ų | 153.7 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 0.9 | -166.2 | -63.3 | -32.9 | 0 | 0 | 0 | 114.2 | N455 V459 | N455-D457 VanDerWaalsContact C-N 3.32Å; N455-D457 PolarHBondContact O-N 3.45Å; N455-D457 VanDerWaalsContact O-N 3.16Å; N455-D457 PolarHBondContact OD1-N 3.23Å; N455-D457 VanDerWaalsContact OD1-N 3.09Å; D457-V459 VanDerWaalsContact C-N 3.28Å; D457-V459 PolarHBondContact O-N 2.92Å |
| 458 | Y | 33.8 | Very low | 35.7 | Very low | 197.5 Ų | 197.5 | 156.5 Ų | 156.5 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | trans | -93.8 | 22.7 | -163.6 | -119.8 | -85.4 | 0 | 0 | 0 | 117.4 | ||||
| 459 | V | 36.4 | Very low | 35.7 | Very low | 138 Ų | 138 | 154 Ų | 154 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | -133.2 | 55.1 | 169.9 | -160.8 | 0 | 0 | 0 | 0 | 112.3 | D457 | D457-V459 VanDerWaalsContact C-N 3.28Å; D457-V459 PolarHBondContact O-N 2.92Å | ||
| 460 | N | 31.5 | Very low | 35.5 | Very low | 142.5 Ų | 142.5 | 157.3 Ų | 157.3 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -111.7 | 101 | 156.5 | -103.6 | -44.1 | 0 | 0 | 0 | 112.7 | ||||
| 461 | Y | 31.6 | Very low | 35.1 | Very low | 215.5 Ų | 215.5 | 156.9 Ų | 156.9 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | 147.2 | 77.3 | 179.2 | -74.3 | -80.1 | 0 | 0 | 0 | 115.9 | ||||
| 462 | R | 33.7 | Very low | 34.7 | Very low | 252.5 Ų | 252.5 | 155.3 Ų | 155.3 | 95% | 0.953 | 79% | 0.787 | S | S | * | * | trans | -146 | 102.7 | 135.8 | -76.3 | -152.8 | 179.7 | -134.7 | -3 | 110.8 | ||||
| 463 | H | 35.6 | Very low | 34.2 | Very low | 188.5 Ų | 188.5 | 156.1 Ų | 156.1 | 87% | 0.873 | 78% | 0.78 | S | S | * | * | trans | -101.5 | 138.3 | 169.1 | -81.8 | -80.5 | 0 | 0 | 0 | 110.6 | ||||
| 464 | G | 31.8 | Very low | 33.8 | Very low | 83 Ų | 83 | 155.4 Ų | 155.4 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | trans | 122.5 | 93.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 465 | G | 31.2 | Very low | 33.5 | Very low | 62.5 Ų | 62.5 | 151.7 Ų | 151.7 | 64% | 0.644 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 107.8 | 109.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y467 | G465-Y467 PolarHBondContact O-N 2.97Š|
| 466 | D | 31.4 | Very low | 33.3 | Very low | 167 Ų | 167 | 155.9 Ų | 155.9 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | 123.3 | 120.7 | 71.6 | -76 | -28.5 | 0 | 0 | 0 | 114.3 | M468 | D466-M468 PolarHBondContact O-N 3.5Š| |||
| 467 | Y | 31.1 | Very low | 32.8 | Very low | 226 Ų | 226 | 160.9 Ų | 160.9 | 89% | 0.886 | 79% | 0.79 | S | S | * | * | trans | -82.2 | 121.6 | 170.5 | -92 | -101.7 | 0 | 0 | 0 | 112 | G465 | G465-Y467 PolarHBondContact O-N 2.97Š| ||
| 468 | M | 31.7 | Very low | 32.4 | Very low | 157.5 Ų | 157.5 | 164.4 Ų | 164.4 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -120.8 | 125.6 | 155.2 | -122.3 | -174.2 | 74.1 | 0 | 0 | 111.4 | D466 W470 | D466-M468 PolarHBondContact O-N 3.5Å; M468-W470 HydrophobicContact CE-CZ2 3.92Å; M468-W470 VanDerWaalsContact CE-NE1 3.29Å | ||
| 469 | P | 32.1 | Very low | 32.2 | Very low | 101 Ų | 101 | 158.6 Ų | 158.6 | 66% | 0.656 | 80% | 0.799 | S | S | * | * | trans | -88.8 | 139.4 | -177.3 | 33.8 | -33.6 | 0 | 0 | 0 | 113 | ||||
| 470 | W | 32.8 | Very low | 32.1 | Very low | 231 Ų | 231 | 160.2 Ų | 160.2 | 88% | 0.875 | 80% | 0.797 | S | S | * | * | trans | -25.2 | 96 | 157 | -74.6 | 59.4 | 0 | 0 | 0 | 116.3 | M468 | M468-W470 HydrophobicContact CE-CZ2 3.92Å; M468-W470 VanDerWaalsContact CE-NE1 3.29Å | ||
| 471 | T | 30.2 | Very low | 32.1 | Very low | 139 Ų | 139 | 164.3 Ų | 164.3 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -126.1 | 115.4 | 134.7 | 50.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 472 | D | 33.8 | Very low | 32 | Very low | 141 Ų | 141 | 165.6 Ų | 165.6 | 75% | 0.754 | 81% | 0.806 | S | S | * | * | trans | -126.8 | 143.3 | 160.1 | -158.8 | -7.7 | 0 | 0 | 0 | 112.4 | H474 | D472-H474 PolarHBondContact OD1-N 3.05Š| ||
| 473 | E | 30 | Very low | 32 | Very low | 138.5 Ų | 138.5 | 165.5 Ų | 165.5 | 65% | 0.647 | 81% | 0.805 | S | S | * | * | trans | -108.3 | 121.2 | 164.1 | -95.7 | -176.5 | 179.8 | 0 | 0 | 110.9 | Q475 H499 | E473-Q475 HydrophobicContact CB-CG 4.4Å; E473-Q475 PolarHBondContact OE2-NE2 3.4Å; E473-H499 IonicContact OE2-CE1 3.39Å | ||
| 474 | H | 33 | Very low | 31.5 | Very low | 145.5 Ų | 145.5 | 168.6 Ų | 168.6 | 67% | 0.674 | 81% | 0.809 | S | S | * | * | trans | 170.4 | 80.5 | 157.3 | -73.4 | -70.1 | 0 | 0 | 0 | 116.1 | D472 R497 H499 | D472-H474 PolarHBondContact OD1-N 3.05Å; H474-R497 PolarHBondContact CD2-NH1 3.19Å; H474-R497 PolarHBondContact CE1-NH1 3.12Å; H474-R497 PolarHBondContact ND1-NH1 2.86Å; H474-R497 PolarHBondContact NE2-NH1 3.46Å; H474-H499 AromaticContact NE2-CE1 3.51Å | ||
| 475 | Q | 33.4 | Very low | 31.6 | Very low | 142.5 Ų | 142.5 | 170.2 Ų | 170.2 | 67% | 0.666 | 81% | 0.808 | S | S | * | * | trans | -96.1 | 108.6 | 162.3 | -64.8 | -175.8 | 12.7 | 0 | 0 | 112.3 | E473 R477 | E473-Q475 HydrophobicContact CB-CG 4.4Å; E473-Q475 PolarHBondContact OE2-NE2 3.4Å; Q475-R477 HydrophobicContact CB-CG 4.16Å; Q475-R477 VanDerWaalsContact OE1-CZ 3.25Å | ||
| 476 | I | 34.9 | Very low | 31.4 | Very low | 170.5 Ų | 170.5 | 177.1 Ų | 177.1 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | -99.8 | 111.1 | 157.9 | -63.2 | -177.3 | 0 | 0 | 0 | 108.4 | F478 | I476-F478 PolarHBondContact O-N 2.98Š| ||
| 477 | R | 28.2 | Very low | 31.4 | Very low | 207 Ų | 207 | 179.4 Ų | 179.4 | 78% | 0.781 | 82% | 0.816 | S | S | * | * | trans | -74.7 | 126.9 | -174.6 | -54 | 170.5 | -160.3 | 169.4 | 5.9 | 111.3 | Q475 | Q475-R477 HydrophobicContact CB-CG 4.16Å; Q475-R477 VanDerWaalsContact OE1-CZ 3.25Å | ||
| 478 | F | 33 | Very low | 31.3 | Very low | 206.5 Ų | 206.5 | 173.5 Ų | 173.5 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | -147.6 | 97 | 140 | -91.6 | -68.9 | 0 | 0 | 0 | 109.5 | I476 | I476-F478 PolarHBondContact O-N 2.98Š| ||
| 479 | G | 28.6 | Very low | 31.5 | Very low | 74.5 Ų | 74.5 | 171.1 Ų | 171.1 | 77% | 0.768 | 81% | 0.805 | S | S | * | * | trans | -96.8 | 142.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 480 | Q | 34.3 | Very low | 31.5 | Very low | 171.5 Ų | 171.5 | 175.4 Ų | 175.4 | 80% | 0.801 | 82% | 0.816 | S | S | * | * | trans | -145.5 | 143.3 | 159.6 | -102.6 | -170.1 | 38.9 | 0 | 0 | 112.7 | ||||
| 481 | R | 31.6 | Very low | 31.4 | Very low | 230 Ų | 230 | 169.5 Ų | 169.5 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | -10.3 | 124.1 | 171.4 | -61.8 | 177.4 | -179.8 | -157.1 | -4.3 | 116.3 | ||||
| 482 | R | 29.2 | Very low | 31.5 | Very low | 242.5 Ų | 242.5 | 167.8 Ų | 167.8 | 92% | 0.915 | 80% | 0.804 | S | S | * | * | trans | 6.3 | 123 | 145.7 | -59.2 | 171.8 | 176.3 | 170.8 | -2.6 | 116.3 | ||||
| 483 | R | 33.2 | Very low | 31.5 | Very low | 250 Ų | 250 | 170.4 Ų | 170.4 | 94% | 0.943 | 80% | 0.803 | S | S | * | * | -147.7 | 147.1 | 107.7 | -69.2 | -158.5 | 173.9 | 179.1 | -1.4 | 112.1 | |||||
| 484 | R | 26.9 | Very low | 31.5 | Very low | 254 Ų | 254 | 173.9 Ų | 173.9 | 96% | 0.958 | 81% | 0.811 | S | S | * | * | trans | -90.6 | 144.6 | 168.2 | -77.1 | 178 | 168.7 | 175.5 | -4.5 | 110 | ||||
| 485 | S | 31.9 | Very low | 31.3 | Very low | 117 Ų | 117 | 175.5 Ų | 175.5 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -138.1 | 158.5 | 155.5 | -165.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 486 | R | 28.2 | Very low | 31.1 | Very low | 206.5 Ų | 206.5 | 178.4 Ų | 178.4 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | trans | -113.9 | 143.6 | 178.2 | -60.6 | 174.3 | 176.5 | 173.3 | -2.8 | 109 | ||||
| 487 | F | 31.7 | Very low | 30.9 | Very low | 214.5 Ų | 214.5 | 179.3 Ų | 179.3 | 94% | 0.941 | 81% | 0.81 | S | S | * | * | trans | -160.4 | 156.9 | 145.3 | -98.1 | -67.6 | 0 | 0 | 0 | 111.9 | ||||
| 488 | S | 28.8 | Very low | 31 | Very low | 102.5 Ų | 102.5 | 172.4 Ų | 172.4 | 72% | 0.717 | 80% | 0.804 | S | S | * | * | trans | -115.9 | 156.1 | -164.1 | -168.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 489 | P | 35.7 | Very low | 31 | Very low | 108 Ų | 108 | 169.5 Ų | 169.5 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | -114.8 | 177.4 | -113.1 | 33.9 | -19.4 | 0 | 0 | 0 | 112.8 | |||||
| 490 | Q | 32.4 | Very low | 31.1 | Very low | 191.5 Ų | 191.5 | 169.7 Ų | 169.7 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | trans | 131.4 | 150 | 160.3 | -76.4 | 173.9 | 14.6 | 0 | 0 | 113.1 | ||||
| 491 | S | 30.9 | Very low | 30.9 | Very low | 107 Ų | 107 | 172.9 Ų | 172.9 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | 145.3 | 88.8 | 82.8 | 152.8 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 492 | S | 32.2 | Very low | 30.8 | Very low | 103 Ų | 103 | 169.3 Ų | 169.3 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | 165.7 | 110.8 | 115.2 | 84.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 493 | R | 32.9 | Very low | 30.7 | Very low | 195 Ų | 195 | 162.2 Ų | 162.2 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | 134.2 | 138.8 | 62.3 | -93.5 | 167.9 | -170.2 | -161.8 | 3.3 | 114.2 | Y495 | R493-Y495 HydrophobicContact CB-CD2 4.15Å; R493-Y495 PolarHBondContact O-N 2.95Å; R493-Y495 VanDerWaalsContact O-N 3.15Å | |||
| 494 | Y | 29.8 | Very low | 30.4 | Very low | 211.5 Ų | 211.5 | 160.9 Ų | 160.9 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | trans | 11.4 | 89.8 | 151.5 | -66.7 | -76.5 | 0 | 0 | 0 | 117.6 | ||||
| 495 | Y | 29.4 | Very low | 30.7 | Very low | 179 Ų | 179 | 153.7 Ų | 153.7 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | trans | 122.2 | 127.8 | 135.6 | -105.8 | -75.5 | 0 | 0 | 0 | 117.9 | R493 | R493-Y495 HydrophobicContact CB-CD2 4.15Å; R493-Y495 PolarHBondContact O-N 2.95Å; R493-Y495 VanDerWaalsContact O-N 3.15Å | ||
| 496 | R | 29.1 | Very low | 30.6 | Very low | 204.5 Ų | 204.5 | 156.1 Ų | 156.1 | 77% | 0.772 | 76% | 0.758 | S | S | * | * | trans | 58.2 | 130.9 | 150.8 | -84.1 | 174.8 | -121.5 | -154.2 | 1.8 | 117.3 | ||||
| 497 | R | 30.5 | Very low | 30.8 | Very low | 189.5 Ų | 189.5 | 151.5 Ų | 151.5 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | -139.5 | 128.5 | 52.8 | -121.8 | -169.4 | -119.5 | -153.7 | 3.1 | 110.4 | H474 | H474-R497 PolarHBondContact CD2-NH1 3.19Å; H474-R497 PolarHBondContact CE1-NH1 3.12Å; H474-R497 PolarHBondContact ND1-NH1 2.86Å; H474-R497 PolarHBondContact NE2-NH1 3.46Å | |||
| 498 | G | 30.6 | Very low | 30.8 | Very low | 62.5 Ų | 62.5 | 147.3 Ų | 147.3 | 64% | 0.644 | 74% | 0.741 | S | S | * | * | trans | -115.7 | 142.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | A500 | G498-A500 WeakPolarHBondContact O-CB 3.47Š| ||
| 499 | H | 33.5 | Very low | 30.9 | Very low | 144 Ų | 144 | 153.2 Ų | 153.2 | 67% | 0.667 | 75% | 0.749 | S | S | * | * | trans | -115.9 | 120.9 | 157.9 | -67.2 | -93.2 | 0 | 0 | 0 | 105 | E473 H474 | E473-H499 IonicContact OE2-CE1 3.39Å; H474-H499 AromaticContact NE2-CE1 3.51Å | ||
| 500 | A | 29.9 | Very low | 30.7 | Very low | 80 Ų | 80 | 151.2 Ų | 151.2 | 66% | 0.661 | 75% | 0.747 | S | S | * | * | cis | 72.3 | 72.7 | 36.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G498 | G498-A500 WeakPolarHBondContact O-CB 3.47Š| ||
| 501 | R | 30.3 | Very low | 30.6 | Very low | 238.5 Ų | 238.5 | 150.6 Ų | 150.6 | 90% | 0.9 | 75% | 0.749 | S | S | * | * | -129.3 | 114.8 | 122.2 | -80.4 | 180 | -177.6 | -160.9 | -0.2 | 109.4 | |||||
| 502 | L | 29.1 | Very low | 30.6 | Very low | 155 Ų | 155 | 150.2 Ų | 150.2 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | 46.5 | 137.2 | 94.1 | -65.3 | 169.3 | 0 | 0 | 0 | 115.6 | |||||
| 503 | S | 28.2 | Very low | 30.6 | Very low | 92.5 Ų | 92.5 | 151.4 Ų | 151.4 | 65% | 0.647 | 75% | 0.751 | S | S | * | * | -136.4 | 169.7 | -74.1 | -79.2 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 504 | Y | 27.6 | Very low | 30.4 | Very low | 223 Ų | 223 | 146.6 Ų | 146.6 | 88% | 0.875 | 75% | 0.748 | S | S | * | * | trans | 77 | 152.4 | 160.1 | -72.6 | -101.7 | 0 | 0 | 0 | 119.4 | ||||
| 505 | P | 32.6 | Very low | 30.6 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | -134.6 | -174.5 | -102.3 | 37.9 | -19.1 | 0 | 0 | 0 | 114.1 | |||||
| 506 | Q | 29.2 | Very low | 30.8 | Very low | 168 Ų | 168 | 141.3 Ų | 141.3 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | -169.9 | 143 | 163.1 | -61.5 | -114.3 | -5.1 | 0 | 0 | 114.5 | I508 | Q506-I508 HydrophobicContact CB-CD1 4.41Å; Q506-I508 HydrophobicContact CB-CG1 3.77Å | ||
| 507 | P | 33.6 | Very low | 30.8 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | trans | -111.1 | 154 | 165.8 | 37.9 | -25.8 | 0 | 0 | 0 | 110.2 | ||||
| 508 | I | 30.7 | Very low | 30.9 | Very low | 125.5 Ų | 125.5 | 133.3 Ų | 133.3 | 64% | 0.644 | 75% | 0.752 | S | S | * | * | 116.9 | 123.5 | 92.9 | -68.7 | 170 | 0 | 0 | 0 | 112.2 | Q506 | Q506-I508 HydrophobicContact CB-CD1 4.41Å; Q506-I508 HydrophobicContact CB-CG1 3.77Å | |||
| 509 | Y | 30.3 | Very low | 30.8 | Very low | 226 Ų | 226 | 135.8 Ų | 135.8 | 89% | 0.886 | 75% | 0.747 | S | S | * | * | trans | 53.3 | 133.8 | 168.9 | -57.4 | -93.2 | 0 | 0 | 0 | 118.7 | ||||
| 510 | G | 31 | Very low | 30.9 | Very low | 65.5 Ų | 65.5 | 135.8 Ų | 135.8 | 68% | 0.675 | 75% | 0.745 | S | S | * | * | 170.4 | 105.5 | 81.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 511 | I | 31.6 | Very low | 30.9 | Very low | 179.5 Ų | 179.5 | 139.9 Ų | 139.9 | 92% | 0.921 | 74% | 0.744 | S | S | * | * | trans | 68.6 | 144.4 | 166.4 | -52.2 | 166.7 | 0 | 0 | 0 | 115.8 | ||||
| 512 | S | 30 | Very low | 31.2 | Very low | 98.5 Ų | 98.5 | 133.6 Ų | 133.6 | 69% | 0.689 | 74% | 0.735 | S | S | * | * | -144.7 | 140.4 | -112.6 | 170.1 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 513 | P | 32.1 | Very low | 31.2 | Very low | 127.5 Ų | 127.5 | 132.7 Ų | 132.7 | 83% | 0.828 | 73% | 0.726 | S | S | * | * | trans | -96 | 147.1 | 169.9 | 34.5 | -30.6 | 0 | 0 | 0 | 112.2 | ||||
| 514 | S | 30.4 | Very low | 31.5 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 67% | 0.671 | 73% | 0.73 | S | S | * | * | trans | -134.4 | 165.8 | -176.3 | 51.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 515 | D | 33 | Very low | 31.7 | Very low | 147 Ų | 147 | 132.5 Ų | 132.5 | 79% | 0.786 | 72% | 0.723 | S | S | * | * | trans | 73.9 | 102.8 | 168.7 | -52.6 | -31.6 | 0 | 0 | 0 | 117.7 | ||||
| 516 | V | 33.2 | Very low | 31.6 | Very low | 132 Ų | 132 | 136.5 Ų | 136.5 | 80% | 0.8 | 73% | 0.726 | S | S | * | * | 118.5 | 95.7 | 89.9 | 172.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 517 | C | 30.5 | Very low | 31.8 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 76% | 0.757 | 72% | 0.722 | S | S | * | * | 116.5 | 134.8 | 124.2 | -84.5 | 0 | 0 | 0 | 0 | 120 | |||||
| 518 | C | 30.6 | Very low | 31.7 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | trans | 62.3 | 105.5 | 139 | -61.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 519 | E | 30.1 | Very low | 31.8 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 54% | 0.537 | 73% | 0.73 | S | S | . | * | 125.8 | 159.3 | 62.3 | -72.6 | -168.8 | 157.5 | 0 | 0 | 117.7 | Q358 | Q358-E519 PolarHBondContact NE2-OE1 2.94Š| |||
| 520 | K | 34.4 | Very low | 31.9 | Very low | 145 Ų | 145 | 129.5 Ų | 129.5 | 63% | 0.63 | 72% | 0.717 | S | S | * | * | 144.8 | 121.1 | 73.2 | -99.9 | 159.2 | -179.6 | 108 | 0 | 113.4 | D357 | D357-K520 IonicContact OD2-NZ 2.68Å; D357-K520 PolarHBondContact OD2-NZ 2.95Å | |||
| 521 | Y | 29.7 | Very low | 32 | Very low | 164.5 Ų | 164.5 | 133.3 Ų | 133.3 | 65% | 0.645 | 72% | 0.722 | S | S | * | * | 50.2 | 140.4 | 78 | -75 | -101.2 | 0 | 0 | 0 | 118.6 | F356 H523 | F356-Y521 HydrophobicContact CD1-CE2 4.05Å; F356-Y521 HydrophobicContact CE1-CE2 4.07Å; F356-Y521 WeakPolarHBondContact CE2-OH 3.1Å; F356-Y521 HydrophobicContact CG-CE2 4.32Å; F356-Y521 HydrophobicContact CZ-CE2 4.35Å; F356-Y521 WeakPolarHBondContact CZ-OH 3.32Å; Y521-H523 HydrophobicContact CD1-CB 4.17Å; Y521-H523 AromaticContact CD1-CD2 3.53Å; Y521-H523 AromaticContact CD1-CG 3.55Å; Y521-H523 AromaticContact CD1-ND1 3.93Å; Y521-H523 AromaticContact CD1-NE2 3.94Å; Y521-H523 AromaticContact CD2-CD2 3.98Å; Y521-H523 AromaticContact CD2-NE2 3.98Å; Y521-H523 HydrophobicContact CE1-CB 4.46Å; Y521-H523 AromaticContact CE1-CD2 3.57Å; Y521-H523 AromaticContact CE1-CE1 3.39Å; Y521-H523 WeakPolarHBondContact CE1-CE1 3.44Å; Y521-H523 AromaticContact CE1-CG 3.51Å; Y521-H523 AromaticContact CE1-ND1 3.38Å; Y521-H523 WeakPolarHBondContact CE1-ND1 3.46Å; Y521-H523 AromaticContact CE1-NE2 3.52Å; Y521-H523 AromaticContact CE2-NE2 3.55Å; Y521-H523 AromaticContact CG-CD2 3.74Å; Y521-H523 AromaticContact CZ-CD2 3.81Å; Y521-H523 AromaticContact CZ-CE1 3.32Å; Y521-H523 AromaticContact CZ-ND1 3.84Å; Y521-H523 AromaticContact CZ-NE2 3.29Å; Y521-H523 VanDerWaalsContact CZ-NE2 3.29Å; Y521-H523 PolarHBondContact OH-CE1 3.16Å | |||
| 522 | P | 37.1 | Very low | 32 | Very low | 106.5 Ų | 106.5 | 135.8 Ų | 135.8 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | cis | -117.9 | 178.7 | -20.5 | 38.5 | -26 | 0 | 0 | 0 | 112.9 | ||||
| 523 | H | 29.7 | Very low | 32.2 | Very low | 137.5 Ų | 137.5 | 135.7 Ų | 135.7 | 64% | 0.637 | 73% | 0.726 | S | S | * | * | 83.8 | 111.7 | 101.5 | -67.9 | -94.2 | 0 | 0 | 0 | 118.1 | Y521 | Y521-H523 HydrophobicContact CD1-CB 4.17Å; Y521-H523 AromaticContact CD1-CD2 3.53Å; Y521-H523 AromaticContact CD1-CG 3.55Å; Y521-H523 AromaticContact CD1-ND1 3.93Å; Y521-H523 AromaticContact CD1-NE2 3.94Å; Y521-H523 AromaticContact CD2-CD2 3.98Å; Y521-H523 AromaticContact CD2-NE2 3.98Å; Y521-H523 HydrophobicContact CE1-CB 4.46Å; Y521-H523 AromaticContact CE1-CD2 3.57Å; Y521-H523 AromaticContact CE1-CE1 3.39Å; Y521-H523 WeakPolarHBondContact CE1-CE1 3.44Å; Y521-H523 AromaticContact CE1-CG 3.51Å; Y521-H523 AromaticContact CE1-ND1 3.38Å; Y521-H523 WeakPolarHBondContact CE1-ND1 3.46Å; Y521-H523 AromaticContact CE1-NE2 3.52Å; Y521-H523 AromaticContact CE2-NE2 3.55Å; Y521-H523 AromaticContact CG-CD2 3.74Å; Y521-H523 AromaticContact CZ-CD2 3.81Å; Y521-H523 AromaticContact CZ-CE1 3.32Å; Y521-H523 AromaticContact CZ-ND1 3.84Å; Y521-H523 AromaticContact CZ-NE2 3.29Å; Y521-H523 VanDerWaalsContact CZ-NE2 3.29Å; Y521-H523 PolarHBondContact OH-CE1 3.16Å | |||
| 524 | I | 33.2 | Very low | 32.1 | Very low | 143.5 Ų | 143.5 | 135.6 Ų | 135.6 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | 122.8 | 139.4 | 126.5 | -62.7 | 157.4 | 0 | 0 | 0 | 113.6 | Y526 | I524-Y526 HydrophobicContact CG2-CD2 3.55Å; I524-Y526 HydrophobicContact CG2-CE2 3.81Å | |||
| 525 | K | 33 | Very low | 32 | Very low | 167.5 Ų | 167.5 | 136.2 Ų | 136.2 | 73% | 0.728 | 73% | 0.73 | S | S | * | * | trans | -145.5 | 143.3 | 153.7 | -74.6 | 176 | 177.8 | -175 | 0 | 111.1 | ||||
| 526 | Y | 30.5 | Very low | 31.7 | Very low | 186 Ų | 186 | 135.1 Ų | 135.1 | 73% | 0.729 | 73% | 0.734 | S | S | * | * | 70.8 | 130.2 | 107.3 | -61.6 | -60.6 | 0 | 0 | 0 | 116.1 | I524 | I524-Y526 HydrophobicContact CG2-CD2 3.55Å; I524-Y526 HydrophobicContact CG2-CE2 3.81Å | |||
| 527 | D | 32.7 | Very low | 31.7 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | 148.1 | 123.5 | 88 | -60.5 | -31.3 | 0 | 0 | 0 | 119.2 | |||||
| 528 | I | 32.4 | Very low | 31.7 | Very low | 147 Ų | 147 | 137.5 Ų | 137.5 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | trans | -122 | 125.1 | 156.6 | -57.1 | 170.7 | 0 | 0 | 0 | 109.8 | ||||
| 529 | P | 31.5 | Very low | 31.8 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | trans | -121.8 | 124.9 | 153.1 | 33.8 | -22.1 | 0 | 0 | 0 | 110.7 | ||||
| 530 | S | 33.1 | Very low | 31.9 | Very low | 87 Ų | 87 | 138.6 Ų | 138.6 | 61% | 0.608 | 74% | 0.744 | S | S | * | * | 125.6 | 109.1 | 96.6 | 73.4 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 531 | N | 33.3 | Very low | 31.9 | Very low | 143.5 Ų | 143.5 | 141.8 Ų | 141.8 | 77% | 0.767 | 75% | 0.753 | S | S | * | * | trans | 130.4 | 103.5 | 139.1 | -72.2 | -18.7 | 0 | 0 | 0 | 113.8 | ||||
| 532 | Y | 31.1 | Very low | 32.2 | Very low | 233.5 Ų | 233.5 | 142.8 Ų | 142.8 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | 155.5 | 138.5 | 92.5 | -93.9 | -80.2 | 0 | 0 | 0 | 110.4 | |||||
| 533 | A | 33.8 | Very low | 32.3 | Very low | 95.5 Ų | 95.5 | 143.4 Ų | 143.4 | 79% | 0.789 | 77% | 0.765 | S | S | * | * | trans | 147.9 | 140.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 534 | C | 30.9 | Very low | 32.6 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | -155.8 | 153.8 | -127.4 | -90.4 | 0 | 0 | 0 | 0 | 107 | S536 | C534-S536 PolarHBondContact O-N 3.31Š| |||
| 535 | C | 28 | Very low | 32.7 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | -3 | 129.9 | -170.5 | -104.9 | 0 | 0 | 0 | 0 | 113.1 | C537 | C535-C537 HydrophobicContact CB-CB 4.41Å; C535-C537 WeakPolarHBondContact CB-SG 3.32Å; C535-C537 WeakPolarHBondContact SG-CB 3.49Å; C535-C537 CovalentContact SG-SG 2.04Å; C535-C537 PolarHBondContact SG-SG 3.09Å | ||
| 536 | S | 27.7 | Very low | 32.9 | Very low | 123.5 Ų | 123.5 | 141.5 Ų | 141.5 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | 168.2 | 84.9 | 86.4 | -47.5 | 0 | 0 | 0 | 0 | 110.9 | C534 | C534-S536 PolarHBondContact O-N 3.31Š| |||
| 537 | C | 31.7 | Very low | 33 | Very low | 96 Ų | 96 | 139 Ų | 139 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | trans | -155.6 | 95 | 172.6 | 49 | 0 | 0 | 0 | 0 | 108.7 | C535 | C535-C537 HydrophobicContact CB-CB 4.41Å; C535-C537 WeakPolarHBondContact CB-SG 3.32Å; C535-C537 WeakPolarHBondContact SG-CB 3.49Å; C535-C537 CovalentContact SG-SG 2.04Å; C535-C537 PolarHBondContact SG-SG 3.09Å | ||
| 538 | E | 30.4 | Very low | 33.1 | Very low | 199.5 Ų | 199.5 | 139.5 Ų | 139.5 | 93% | 0.932 | 77% | 0.765 | S | S | * | * | 139.1 | 72.6 | 89.9 | -159.1 | 149.3 | -128.5 | 0 | 0 | 110.6 | |||||
| 539 | S | 33.3 | Very low | 33.1 | Very low | 90.5 Ų | 90.5 | 136.6 Ų | 136.6 | 63% | 0.633 | 76% | 0.758 | S | S | * | * | trans | -154.4 | 93.3 | 171.8 | 63.4 | 0 | 0 | 0 | 0 | 110.9 | Y541 | S539-Y541 PolarHBondContact O-N 3.07Š| ||
| 540 | D | 32.6 | Very low | 33.2 | Very low | 160.5 Ų | 160.5 | 139.8 Ų | 139.8 | 86% | 0.858 | 76% | 0.76 | S | S | * | * | trans | -66 | 121.9 | 175.8 | -58.8 | -44.5 | 0 | 0 | 0 | 111.7 | ||||
| 541 | Y | 34.1 | Very low | 33.3 | Very low | 211 Ų | 211 | 140.7 Ų | 140.7 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | trans | -104.9 | 116.1 | 157.6 | -83.3 | -93.9 | 0 | 0 | 0 | 109.5 | S539 V543 | S539-Y541 PolarHBondContact O-N 3.07Å; Y541-V543 PolarHBondContact O-N 3.4Å | ||
| 542 | E | 35.5 | Very low | 33.3 | Very low | 185.5 Ų | 185.5 | 143.2 Ų | 143.2 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | trans | -123.6 | 131.3 | 131.3 | -75.2 | -175.9 | 151 | 0 | 0 | 111.4 | ||||
| 543 | V | 38.9 | Very low | 33.5 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | trans | -56 | 100.9 | 158.5 | -168 | 0 | 0 | 0 | 0 | 115.4 | Y541 T545 | Y541-V543 PolarHBondContact O-N 3.4Å; V543-T545 PolarHBondContact O-N 3.49Å | ||
| 544 | D | 35.9 | Very low | 33.7 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 63% | 0.631 | 75% | 0.751 | S | S | * | * | trans | -52.9 | 66.7 | 140.1 | -118.6 | 4.8 | 0 | 0 | 0 | 114.6 | K546 | D544-K546 HydrophobicContact CB-CD 4.34Å; D544-K546 HydrophobicContact CB-CG 4.19Å; D544-K546 PolarHBondContact O-N 3.16Å; D544-K546 IonicContact OD1-NZ 2.93Å; D544-K546 PolarHBondContact OD1-NZ 3.35Å; D544-K546 WeakPolarHBondContact OD2-CE 3.46Å; D544-K546 IonicContact OD2-NZ 2.84Å; D544-K546 PolarHBondContact OD2-NZ 2.99Å | ||
| 545 | T | 35.4 | Very low | 33.7 | Very low | 125 Ų | 125 | 140 Ų | 140 | 77% | 0.767 | 74% | 0.74 | S | S | * | * | trans | -71.7 | 72.8 | 158.6 | 47.6 | 0 | 0 | 0 | 0 | 110.2 | V543 I547 | V543-T545 PolarHBondContact O-N 3.49Å; T545-I547 PolarHBondContact O-N 3.16Å | ||
| 546 | K | 38 | Very low | 33.9 | Very low | 166 Ų | 166 | 144.9 Ų | 144.9 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | trans | -77.4 | 87.4 | 170.6 | -89.8 | 172.9 | -179.4 | 135.7 | 0 | 111 | D544 I548 | D544-K546 HydrophobicContact CB-CD 4.34Å; D544-K546 HydrophobicContact CB-CG 4.19Å; D544-K546 PolarHBondContact O-N 3.16Å; D544-K546 IonicContact OD1-NZ 2.93Å; D544-K546 PolarHBondContact OD1-NZ 3.35Å; D544-K546 WeakPolarHBondContact OD2-CE 3.46Å; D544-K546 IonicContact OD2-NZ 2.84Å; D544-K546 PolarHBondContact OD2-NZ 2.99Å; K546-I548 PolarHBondContact O-N 2.79Å; K546-I548 VanDerWaalsContact O-N 3.08Å | ||
| 547 | I | 33.6 | Very low | 34.1 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | trans | -44.3 | 111.9 | 168.3 | -61.9 | 166.6 | 0 | 0 | 0 | 109.9 | T545 S549 | T545-I547 PolarHBondContact O-N 3.16Å; I547-S549 WeakPolarHBondContact CG2-OG 3.32Å; I547-S549 PolarHBondContact O-N 2.92Å | ||
| 548 | I | 34.1 | Very low | 34 | Very low | 140.5 Ų | 140.5 | 142.5 Ų | 142.5 | 72% | 0.721 | 72% | 0.724 | S | S | * | * | trans | -100 | 71.1 | 151 | -52.1 | -178.4 | 0 | 0 | 0 | 107.1 | K546 F550 | K546-I548 PolarHBondContact O-N 2.79Å; K546-I548 VanDerWaalsContact O-N 3.08Å; I548-F550 HydrophobicContact CG2-CD2 3.88Å; I548-F550 HydrophobicContact CG2-CE2 3.71Å; I548-F550 HydrophobicContact CG2-CZ 3.93Å; I548-F550 PolarHBondContact O-N 3.09Å | ||
| 549 | S | 31.6 | Very low | 34.2 | Very low | 85.5 Ų | 85.5 | 139.6 Ų | 139.6 | 60% | 0.598 | 71% | 0.714 | S | S | * | * | trans | -66.4 | 107.7 | 159.2 | 49.3 | 0 | 0 | 0 | 0 | 107 | I547 D551 | I547-S549 WeakPolarHBondContact CG2-OG 3.32Å; I547-S549 PolarHBondContact O-N 2.92Å; S549-D551 PolarHBondContact O-N 2.93Å | ||
| 550 | F | 33.5 | Very low | 34 | Very low | 187 Ų | 187 | 138.2 Ų | 138.2 | 82% | 0.82 | 71% | 0.713 | S | S | * | * | trans | -69.5 | 85.3 | 162 | -90 | -80.9 | 0 | 0 | 0 | 107.9 | I548 Q552 | I548-F550 HydrophobicContact CG2-CD2 3.88Å; I548-F550 HydrophobicContact CG2-CE2 3.71Å; I548-F550 HydrophobicContact CG2-CZ 3.93Å; I548-F550 PolarHBondContact O-N 3.09Å; F550-Q552 PolarHBondContact O-N 3.2Å | ||
| 551 | D | 35 | Very low | 34.1 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 56% | 0.561 | 71% | 0.709 | S | S | * | * | trans | -57.7 | 121.9 | 177.5 | -172.2 | -20.3 | 0 | 0 | 0 | 109.7 | S549 T553 | S549-D551 PolarHBondContact O-N 2.93Å; D551-T553 VanDerWaalsContact CG-OG1 3.23Å; D551-T553 PolarHBondContact O-N 3.01Å; D551-T553 VanDerWaalsContact O-N 3.17Å; D551-T553 VanDerWaalsContact OD1-CB 3.3Å; D551-T553 WeakPolarHBondContact OD1-CB 3.41Å; D551-T553 VanDerWaalsContact OD1-CG2 3.24Å; D551-T553 WeakPolarHBondContact OD1-CG2 3.35Å; D551-T553 PolarHBondContact OD1-N 3.22Å; D551-T553 VanDerWaalsContact OD1-N 3.13Å; D551-T553 PolarHBondContact OD1-OG1 3.02Å; D551-T553 PolarHBondContact OD2-OG1 3.25Å | ||
| 552 | Q | 35.2 | Very low | 33.8 | Very low | 196 Ų | 196 | 132.8 Ų | 132.8 | 92% | 0.916 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 14.3 | -175.2 | -66.1 | -173.6 | -22.1 | 0 | 0 | 113.1 | F550 | F550-Q552 PolarHBondContact O-N 3.2Š|
| 553 | T | 35.3 | Very low | 33.7 | Very low | 99.5 Ų | 99.5 | 134.6 Ų | 134.6 | 61% | 0.61 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | 3.6 | -171.2 | 65.8 | 0 | 0 | 0 | 0 | 116.3 | D551 N555 | D551-T553 VanDerWaalsContact CG-OG1 3.23Å; D551-T553 PolarHBondContact O-N 3.01Å; D551-T553 VanDerWaalsContact O-N 3.17Å; D551-T553 VanDerWaalsContact OD1-CB 3.3Å; D551-T553 WeakPolarHBondContact OD1-CB 3.41Å; D551-T553 VanDerWaalsContact OD1-CG2 3.24Å; D551-T553 WeakPolarHBondContact OD1-CG2 3.35Å; D551-T553 PolarHBondContact OD1-N 3.22Å; D551-T553 VanDerWaalsContact OD1-N 3.13Å; D551-T553 PolarHBondContact OD1-OG1 3.02Å; D551-T553 PolarHBondContact OD2-OG1 3.25Å; T553-N555 PolarHBondContact O-N 3.49Å; T553-N555 PolarHBondContact O-ND2 3.27Å |
| 554 | Q | 36.8 | Very low | 33.3 | Very low | 170.5 Ų | 170.5 | 136.7 Ų | 136.7 | 80% | 0.797 | 71% | 0.706 | S | S | * | * | trans | -94.9 | 90.8 | 175.3 | -68 | -153.4 | 6.2 | 0 | 0 | 113.9 | Y556 | Q554-Y556 PolarHBondContact O-N 3.13Š| ||
| 555 | N | 30.4 | Very low | 33.2 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 63% | 0.626 | 72% | 0.719 | S | S | * | * | trans | -67.7 | 116.6 | 162.7 | -73.8 | -76.9 | 0 | 0 | 0 | 110.3 | T553 N919 | T553-N555 PolarHBondContact O-N 3.49Å; T553-N555 PolarHBondContact O-ND2 3.27Å; N555-N919 VanDerWaalsContact OD1-CG 3.31Å; N555-N919 PolarHBondContact OD1-ND2 3.14Å | ||
| 556 | Y | 34 | Very low | 33 | Very low | 212 Ų | 212 | 141.2 Ų | 141.2 | 83% | 0.831 | 72% | 0.719 | S | S | * | * | trans | -138 | 115.4 | 155.3 | -98.5 | -74.9 | 0 | 0 | 0 | 112.4 | Q554 | Q554-Y556 PolarHBondContact O-N 3.13Š| ||
| 557 | T | 31.7 | Very low | 32.5 | Very low | 80 Ų | 80 | 138.1 Ų | 138.1 | 49% | 0.491 | 72% | 0.724 | S | S | . | * | trans | -13.8 | 127.8 | 170.5 | 51.9 | 0 | 0 | 0 | 0 | 117.2 | I559 E916 | T557-I559 PolarHBondContact O-N 2.71Å; T557-E916 HydrophobicContact CG2-CG 3.82Å | ||
| 558 | P | 29.5 | Very low | 32.4 | Very low | 90.5 Ų | 90.5 | 136.5 Ų | 136.5 | 59% | 0.588 | 72% | 0.724 | S | S | * | * | trans | -76.9 | 129.6 | 165.9 | 32.2 | -31.4 | 0 | 0 | 0 | 111 | Y915 F917 | P558-Y915 HydrophobicContact CG-CD1 4.24Å; P558-Y915 WeakPolarHBondContact O-CD1 3.29Å; P558-F917 HydrophobicContact CG-CB 4.2Å; P558-F917 HydrophobicContact CG-CD1 4.2Å; P558-F917 HydrophobicContact CG-CD2 3.33Å; P558-F917 HydrophobicContact CG-CE1 4.43Å; P558-F917 HydrophobicContact CG-CE2 3.6Å; P558-F917 HydrophobicContact CG-CG 3.66Å; P558-F917 HydrophobicContact CG-CZ 4.15Å | ||
| 559 | I | 33.4 | Very low | 32.2 | Very low | 138.5 Ų | 138.5 | 135.3 Ų | 135.3 | 71% | 0.71 | 73% | 0.729 | S | S | * | * | trans | -128.7 | 113 | 163.9 | -58.6 | 177.9 | 0 | 0 | 0 | 106.7 | T557 V561 | T557-I559 PolarHBondContact O-N 2.71Å; I559-V561 HydrophobicContact CG2-CG2 4.25Å | ||
| 560 | G | 30.1 | Very low | 32.3 | Very low | 61 Ų | 61 | 137 Ų | 137 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | -165.9 | 94.5 | 87.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 561 | V | 34.2 | Very low | 32.1 | Very low | 127.5 Ų | 127.5 | 133 Ų | 133 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | trans | -133.3 | 131 | 175.8 | -152.9 | 0 | 0 | 0 | 0 | 109.3 | I559 | I559-V561 HydrophobicContact CG2-CG2 4.25Š| ||
| 562 | N | 28.7 | Very low | 32 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | trans | -72.4 | 138.4 | -177.5 | -72.7 | -62.1 | 0 | 0 | 0 | 112.3 | ||||
| 563 | Y | 33.2 | Very low | 31.7 | Very low | 223.5 Ų | 223.5 | 128.9 Ų | 128.9 | 88% | 0.876 | 74% | 0.738 | S | S | * | * | trans | -129.3 | 106 | 138.9 | -83.4 | -78.1 | 0 | 0 | 0 | 109.4 | L565 | Y563-L565 PolarHBondContact O-N 3.45Š| ||
| 564 | Q | 30.1 | Very low | 31.5 | Very low | 163.5 Ų | 163.5 | 133.5 Ų | 133.5 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | trans | -75.6 | 131.1 | 168.1 | -65.8 | 173.7 | -44.7 | 0 | 0 | 109 | ||||
| 565 | L | 32.4 | Very low | 31.3 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 91% | 0.911 | 75% | 0.753 | S | S | * | * | trans | -140.3 | 132.9 | 153.3 | -92.7 | 172 | 0 | 0 | 0 | 108.4 | Y563 | Y563-L565 PolarHBondContact O-N 3.45Š| ||
| 566 | E | 31.4 | Very low | 31.3 | Very low | 163 Ų | 163 | 132.5 Ų | 132.5 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | -81.5 | 161.3 | -166 | -63.4 | -173.8 | 130.5 | 0 | 0 | 113.4 | S568 R893 | E566-S568 PolarHBondContact O-N 3.37Å; E566-R893 IonicContact OE2-NH1 2.63Å; E566-R893 PolarHBondContact OE2-NH1 3.32Å | ||
| 567 | A | 28.7 | Very low | 31.2 | Very low | 100.5 Ų | 100.5 | 130.8 Ų | 130.8 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | trans | -72.2 | 129.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 568 | S | 31.4 | Very low | 31.1 | Very low | 100.5 Ų | 100.5 | 131 Ų | 131 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | trans | -139.4 | 98 | 166.5 | -1.5 | 0 | 0 | 0 | 0 | 110.5 | E566 P570 | E566-S568 PolarHBondContact O-N 3.37Å; S568-P570 VanDerWaalsContact O-CD 3.31Å; S568-P570 WeakPolarHBondContact O-CD 3.25Å | ||
| 569 | S | 29.3 | Very low | 31.2 | Very low | 116.5 Ų | 116.5 | 135 Ų | 135 | 82% | 0.815 | 79% | 0.786 | S | S | * | * | trans | -68.3 | 138.5 | 175.5 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | S571 | S569-S571 PolarHBondContact O-N 2.95Š| ||
| 570 | P | 32.9 | Very low | 31 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | -114.5 | 121.4 | 128.2 | 33.2 | -23.2 | 0 | 0 | 0 | 113.2 | S568 | S568-P570 VanDerWaalsContact O-CD 3.31Å; S568-P570 WeakPolarHBondContact O-CD 3.25Å | |||
| 571 | S | 29.4 | Very low | 31 | Very low | 103.5 Ų | 103.5 | 141.3 Ų | 141.3 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | trans | -12.1 | 143.6 | 153.4 | 62.8 | 0 | 0 | 0 | 0 | 118.6 | S569 | S569-S571 PolarHBondContact O-N 2.95Š| ||
| 572 | V | 33 | Very low | 30.8 | Very low | 148 Ų | 148 | 140.8 Ų | 140.8 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | 66.3 | 119.4 | 157.3 | -170.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 573 | G | 28.8 | Very low | 30.8 | Very low | 66 Ų | 66 | 139.6 Ų | 139.6 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | trans | 167 | -32.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 574 | K | 32.5 | Very low | 30.6 | Very low | 196 Ų | 196 | 133.9 Ų | 133.9 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | trans | 128.1 | 143.3 | 175.7 | -82.9 | 165.2 | -177.6 | 179.3 | 0 | 112.1 | ||||
| 575 | L | 32.7 | Very low | 30.6 | Very low | 168 Ų | 168 | 132 Ų | 132 | 88% | 0.88 | 80% | 0.796 | S | S | * | * | -120.9 | 147.8 | 75.7 | -107 | 170.7 | 0 | 0 | 0 | 109.9 | |||||
| 576 | S | 29.2 | Very low | 30.5 | Very low | 99.5 Ų | 99.5 | 130.7 Ų | 130.7 | 70% | 0.696 | 80% | 0.796 | S | S | * | * | trans | -88 | 171.3 | -172.4 | -49.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 577 | L | 31.9 | Very low | 30.3 | Very low | 175.5 Ų | 175.5 | 132.2 Ų | 132.2 | 92% | 0.919 | 80% | 0.795 | S | S | * | * | trans | -0.9 | 119.3 | 157 | -80.8 | 157.9 | 0 | 0 | 0 | 113.2 | ||||
| 578 | A | 30.1 | Very low | 30.2 | Very low | 83.5 Ų | 83.5 | 134.1 Ų | 134.1 | 69% | 0.69 | 80% | 0.796 | S | S | * | * | trans | -112.1 | 143.9 | 163 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 579 | L | 31.9 | Very low | 30 | Very low | 174.5 Ų | 174.5 | 138.3 Ų | 138.3 | 91% | 0.914 | 80% | 0.798 | S | S | * | * | trans | -144.4 | 91.1 | 155.6 | -92.8 | 173 | 0 | 0 | 0 | 109.2 | ||||
| 580 | S | 28.4 | Very low | 29.9 | Very low | 104.5 Ų | 104.5 | 140.5 Ų | 140.5 | 73% | 0.731 | 80% | 0.801 | S | S | * | * | trans | -23 | 118.5 | 147.6 | -52.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 581 | R | 30.6 | Very low | 29.7 | Very low | 228.5 Ų | 228.5 | 139 Ų | 139 | 86% | 0.862 | 79% | 0.793 | S | S | * | * | trans | -123.4 | 116.7 | 149.8 | -82.8 | 163 | 132.3 | -164.8 | -0.3 | 107.6 | ||||
| 582 | S | 29.8 | Very low | 29.6 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | 157.5 | 143.7 | 128.4 | 61.5 | 0 | 0 | 0 | 0 | 111 | |||||
| 583 | S | 29.4 | Very low | 29.5 | Very low | 105.5 Ų | 105.5 | 140.7 Ų | 140.7 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | -141.7 | 150.9 | -78.7 | 51.9 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 584 | S | 28.9 | Very low | 29.4 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | 133 | 162.8 | 113 | -61 | 0 | 0 | 0 | 0 | 114.6 | T586 | S584-T586 PolarHBondContact O-N 3.22Š| |||
| 585 | P | 30.4 | Very low | 29.4 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | -114 | 126.8 | -111.6 | 36 | -29.3 | 0 | 0 | 0 | 113.7 | R587 | P585-R587 PolarHBondContact O-N 2.92Š| |||
| 586 | T | 30.1 | Very low | 29.6 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -116 | 125.6 | 160.2 | -37.9 | 0 | 0 | 0 | 0 | 111.7 | S584 | S584-T586 PolarHBondContact O-N 3.22Š| ||
| 587 | R | 26.8 | Very low | 30 | Very low | 195.5 Ų | 195.5 | 141.8 Ų | 141.8 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | trans | -81.3 | 129 | -172.1 | 177.5 | -175.4 | -179.7 | -172.9 | 5.4 | 112.3 | P585 Y589 | P585-R587 PolarHBondContact O-N 2.92Å; R587-Y589 HydrophobicContact CG-CD2 4.26Å; R587-Y589 HydrophobicContact CG-CE2 4.17Å; R587-Y589 PolarHBondContact NH2-OH 3.21Å; R587-Y589 PolarHBondContact O-N 3.34Å; R587-Y589 VanDerWaalsContact O-N 3.11Å | ||
| 588 | T | 26.8 | Very low | 30.4 | Very low | 140.5 Ų | 140.5 | 139.1 Ų | 139.1 | 86% | 0.862 | 78% | 0.775 | S | S | * | * | trans | -102.4 | 113.5 | 168.5 | 30.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 589 | Y | 27.2 | Very low | 30.6 | Very low | 188 Ų | 188 | 135.9 Ų | 135.9 | 74% | 0.737 | 75% | 0.748 | S | S | * | * | trans | -99.8 | 131 | 165.8 | -84.1 | -99.1 | 0 | 0 | 0 | 109.6 | R587 | R587-Y589 HydrophobicContact CG-CD2 4.26Å; R587-Y589 HydrophobicContact CG-CE2 4.17Å; R587-Y589 PolarHBondContact NH2-OH 3.21Å; R587-Y589 PolarHBondContact O-N 3.34Å; R587-Y589 VanDerWaalsContact O-N 3.11Å | ||
| 590 | N | 28.2 | Very low | 31.2 | Very low | 163 Ų | 163 | 131.4 Ų | 131.4 | 87% | 0.872 | 73% | 0.729 | S | S | * | * | trans | -134.6 | 128.3 | 164.3 | -153.2 | -2.7 | 0 | 0 | 0 | 111 | ||||
| 591 | S | 26.9 | Very low | 31.8 | Very low | 88.5 Ų | 88.5 | 131.4 Ų | 131.4 | 62% | 0.619 | 72% | 0.718 | S | S | * | * | trans | -126.3 | 154.9 | 171.9 | 57.5 | 0 | 0 | 0 | 0 | 112.8 | V593 | S591-V593 PolarHBondContact O-N 2.84Š| ||
| 592 | N | 27.7 | Very low | 32.5 | Very low | 153.5 Ų | 153.5 | 122.4 Ų | 122.4 | 82% | 0.821 | 69% | 0.69 | S | S | * | * | trans | 76 | 47.3 | 159.7 | -48.8 | -18.3 | 0 | 0 | 0 | 118.4 | C594 | N592-C594 PolarHBondContact O-N 2.8Å; N592-C594 VanDerWaalsContact O-N 3.14Å | ||
| 593 | V | 31.1 | Very low | 33.4 | Very low | 134.5 Ų | 134.5 | 120.1 Ų | 120.1 | 82% | 0.815 | 67% | 0.671 | S | S | * | * | trans | -103.8 | 112.8 | 153.7 | -178.3 | 0 | 0 | 0 | 0 | 108.6 | S591 L595 | S591-V593 PolarHBondContact O-N 2.84Å; V593-L595 PolarHBondContact O-N 2.88Å | ||
| 594 | C | 27.4 | Very low | 34.3 | Very low | 116.5 Ų | 116.5 | 122.4 Ų | 122.4 | 79% | 0.787 | 67% | 0.668 | S | S | * | * | trans | -78.3 | 120.2 | 171.3 | -179 | 0 | 0 | 0 | 0 | 109.2 | N592 K596 | N592-C594 PolarHBondContact O-N 2.8Å; N592-C594 VanDerWaalsContact O-N 3.14Å; C594-K596 VanDerWaalsContact C-N 3.25Å; C594-K596 PolarHBondContact O-N 3.23Å | ||
| 595 | L | 32.1 | Very low | 35.2 | Very low | 156 Ų | 156 | 122.5 Ų | 122.5 | 82% | 0.817 | 66% | 0.66 | S | S | * | * | trans | -82.1 | 91.5 | 167.9 | -71.9 | 174.4 | 0 | 0 | 0 | 108.4 | V593 V597 | V593-L595 PolarHBondContact O-N 2.88Å; L595-V597 PolarHBondContact O-N 2.99Å | ||
| 596 | K | 36.9 | Very low | 36.3 | Very low | 152 Ų | 152 | 121 Ų | 121 | 66% | 0.661 | 65% | 0.645 | S | S | * | * | trans | -62.2 | 108.4 | 173.5 | -168.8 | 174 | -173.8 | 177.6 | 0 | 108.1 | C594 I598 R1057 A1058 | C594-K596 VanDerWaalsContact C-N 3.25Å; C594-K596 PolarHBondContact O-N 3.23Å; K596-I598 PolarHBondContact O-N 3.13Å; K596-I598 VanDerWaalsContact O-N 3.09Å; K596-R1057 PolarHBondContact NZ-O 2.6Å; K596-A1058 PolarHBondContact NZ-O 3.08Å | ||
| 597 | V | 37.1 | Very low | 37.5 | Very low | 128.5 Ų | 128.5 | 121.3 Ų | 121.3 | 78% | 0.779 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 118.3 | 179.6 | 178.4 | 0 | 0 | 0 | 0 | 108.3 | L595 S599 | L595-V597 PolarHBondContact O-N 2.99Å; V597-S599 PolarHBondContact O-N 2.93Å; V597-S599 VanDerWaalsContact O-N 3.16Å |
| 598 | I | 40.1 | Very low | 38.9 | Very low | 117.5 Ų | 117.5 | 119.8 Ų | 119.8 | 60% | 0.603 | 63% | 0.629 | S | S | * | * | trans | -75.6 | 117.9 | 179 | -56.7 | 179.4 | 0 | 0 | 0 | 107.1 | K596 S602 V603 | K596-I598 PolarHBondContact O-N 3.13Å; K596-I598 VanDerWaalsContact O-N 3.09Å; I598-S602 WeakPolarHBondContact CG2-OG 3.35Å; I598-V603 HydrophobicContact CG2-CG2 3.67Å | ||
| 599 | S | 36 | Very low | 40.1 | Very low | 17.5 Ų | 17.5 | 115.7 Ų | 115.7 | 12% | 0.122 | 61% | 0.609 | C | S | . | * | P | Polyproline II helix | trans | -61.7 | 138.9 | 179.8 | 164.8 | 0 | 0 | 0 | 0 | 110.2 | V597 E601 S602 V603 | V597-S599 PolarHBondContact O-N 2.93Å; V597-S599 VanDerWaalsContact O-N 3.16Å; S599-E601 PolarHBondContact O-N 3.24Å; S599-E601 VanDerWaalsContact O-N 3.12Å; S599-E601 PolarHBondContact OG-N 3Å; S599-E601 VanDerWaalsContact OG-N 3.13Å; S599-E601 PolarHBondContact OG-OE2 3.04Å; S599-E601 VanDerWaalsContact OG-OE2 3.12Å; S599-S602 PolarHBondContact O-N 2.84Å; S599-S602 PolarHBondContact O-OG 3.07Å; S599-S602 VanDerWaalsContact O-OG 3.08Å; S599-V603 PolarHBondContact O-N 3.17Å |
| 600 | P | 42.8 | Very low | 41.7 | Very low | 79.5 Ų | 79.5 | 110.4 Ų | 110.4 | 52% | 0.516 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -59.2 | -23.3 | 177.6 | 25.1 | -34.2 | 0 | 0 | 0 | 113.1 | Q30 V603 K604 | Q30-P600 WeakPolarHBondContact O-CD 3.3Å; P600-V603 PolarHBondContact O-N 3.38Å; P600-K604 WeakPolarHBondContact O-CG 3.34Å; P600-K604 PolarHBondContact O-N 3.17Å |
| 601 | E | 42.5 | Very low | 43 | Very low | 104.667 Ų | 104.667 | 105.3 Ų | 105.3 | 49% | 0.489 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -91.9 | -29.1 | 171.9 | -90.2 | 152.5 | 133.8 | 0 | 0 | 113.1 | Q30 S599 V603 K604 N605 | Q30-E601 WeakPolarHBondContact CG-OE2 3.4Å; Q30-E601 PolarHBondContact NE2-OE2 3.29Å; S599-E601 PolarHBondContact O-N 3.24Å; S599-E601 VanDerWaalsContact O-N 3.12Å; S599-E601 PolarHBondContact OG-N 3Å; S599-E601 VanDerWaalsContact OG-N 3.13Å; S599-E601 PolarHBondContact OG-OE2 3.04Å; S599-E601 VanDerWaalsContact OG-OE2 3.12Å; E601-V603 VanDerWaalsContact C-N 3.35Å; E601-V603 PolarHBondContact O-N 3.48Å; E601-K604 WeakPolarHBondContact O-CB 3.38Å; E601-K604 PolarHBondContact O-N 3.22Å; E601-N605 WeakPolarHBondContact O-CB 3.33Å; E601-N605 VanDerWaalsContact O-CG 3.31Å; E601-N605 PolarHBondContact O-N 3.03Å; E601-N605 PolarHBondContact O-ND2 2.88Å |
| 602 | S | 44.3 | Very low | 44.6 | Very low | 39.3333 Ų | 39.3333 | 105.8 Ų | 105.8 | 28% | 0.275 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.2 | -31.5 | 175.5 | 66 | 0 | 0 | 0 | 0 | 111.9 | I598 S599 K604 N605 D606 | I598-S602 WeakPolarHBondContact CG2-OG 3.35Å; S599-S602 PolarHBondContact O-N 2.84Å; S599-S602 PolarHBondContact O-OG 3.07Å; S599-S602 VanDerWaalsContact O-OG 3.08Å; S602-K604 VanDerWaalsContact C-N 3.28Å; S602-K604 PolarHBondContact O-N 3.31Å; S602-N605 CarbonylContact O-C 3.53Å; S602-N605 WeakPolarHBondContact O-CA 3.15Å; S602-N605 WeakPolarHBondContact O-CB 3.39Å; S602-N605 PolarHBondContact O-N 3.19Å; S602-D606 WeakPolarHBondContact CB-OD2 3.43Å; S602-D606 VanDerWaalsContact O-CB 3.31Å; S602-D606 WeakPolarHBondContact O-CB 3.42Å; S602-D606 VanDerWaalsContact O-CG 3.32Å; S602-D606 PolarHBondContact O-N 3.13Å; S602-D606 PolarHBondContact OG-OD2 3.43Å |
| 603 | V | 49.1 | Very low | 46.2 | Very low | 67.3333 Ų | 67.3333 | 100.7 Ų | 100.7 | 41% | 0.408 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.4 | -35.5 | -178.7 | -177.9 | 0 | 0 | 0 | 0 | 112.9 | I598 S599 P600 E601 N605 D606 F607 | I598-V603 HydrophobicContact CG2-CG2 3.67Å; S599-V603 PolarHBondContact O-N 3.17Å; P600-V603 PolarHBondContact O-N 3.38Å; E601-V603 VanDerWaalsContact C-N 3.35Å; E601-V603 PolarHBondContact O-N 3.48Å; V603-N605 VanDerWaalsContact C-N 3.31Å; V603-N605 PolarHBondContact O-N 3.25Å; V603-D606 PolarHBondContact N-OD2 3.01Å; V603-D606 PolarHBondContact O-N 2.82Å; V603-F607 HydrophobicContact CG1-CD2 3.73Å; V603-F607 HydrophobicContact CG1-CE2 3.63Å; V603-F607 WeakPolarHBondContact O-CB 3.25Å; V603-F607 VanDerWaalsContact O-CD2 3.28Å; V603-F607 WeakPolarHBondContact O-CD2 3.4Å; V603-F607 PolarHBondContact O-N 2.98Å |
| 604 | K | 47.2 | Very low | 47.6 | Very low | 155 Ų | 155 | 96.6 Ų | 96.6 | 67% | 0.674 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.7 | -38.1 | 173.5 | -74.1 | 177.6 | -179.7 | 177.9 | 0 | 112.4 | P600 E601 S602 F607 R608 | P600-K604 WeakPolarHBondContact O-CG 3.34Å; P600-K604 PolarHBondContact O-N 3.17Å; E601-K604 WeakPolarHBondContact O-CB 3.38Å; E601-K604 PolarHBondContact O-N 3.22Å; S602-K604 VanDerWaalsContact C-N 3.28Å; S602-K604 PolarHBondContact O-N 3.31Å; K604-F607 PolarHBondContact O-N 3.47Å; K604-R608 VanDerWaalsContact O-CB 3.27Å; K604-R608 WeakPolarHBondContact O-CB 3.44Å; K604-R608 PolarHBondContact O-N 3.16Å |
| 605 | N | 49.3 | Very low | 49.3 | Very low | 105.667 Ų | 105.667 | 95.2 Ų | 95.2 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -76.4 | -35.9 | 178.6 | -68.5 | -17.8 | 0 | 0 | 0 | 111.9 | E601 S602 V603 F607 R608 A609 | E601-N605 WeakPolarHBondContact O-CB 3.33Å; E601-N605 VanDerWaalsContact O-CG 3.31Å; E601-N605 PolarHBondContact O-N 3.03Å; E601-N605 PolarHBondContact O-ND2 2.88Å; S602-N605 CarbonylContact O-C 3.53Å; S602-N605 WeakPolarHBondContact O-CA 3.15Å; S602-N605 WeakPolarHBondContact O-CB 3.39Å; S602-N605 PolarHBondContact O-N 3.19Å; V603-N605 VanDerWaalsContact C-N 3.31Å; V603-N605 PolarHBondContact O-N 3.25Å; N605-F607 VanDerWaalsContact C-N 3.29Å; N605-F607 PolarHBondContact O-N 3.19Å; N605-R608 CarbonylContact O-C 3.55Å; N605-R608 WeakPolarHBondContact O-CA 3.5Å; N605-R608 WeakPolarHBondContact O-CB 3.42Å; N605-R608 PolarHBondContact O-N 3.08Å; N605-A609 VanDerWaalsContact O-CB 3.27Å; N605-A609 WeakPolarHBondContact O-CB 3.42Å; N605-A609 PolarHBondContact O-N 2.93Å |
| 606 | D | 53.1 | Low | 50.6 | Low | 90 Ų | 90 | 90.2 Ų | 90.2 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.5 | -37.8 | 177.3 | -67.7 | -26.6 | 0 | 0 | 0 | 111.8 | S602 V603 S610 | S602-D606 WeakPolarHBondContact CB-OD2 3.43Å; S602-D606 VanDerWaalsContact O-CB 3.31Å; S602-D606 WeakPolarHBondContact O-CB 3.42Å; S602-D606 VanDerWaalsContact O-CG 3.32Å; S602-D606 PolarHBondContact O-N 3.13Å; S602-D606 PolarHBondContact OG-OD2 3.43Å; V603-D606 PolarHBondContact N-OD2 3.01Å; V603-D606 PolarHBondContact O-N 2.82Å; D606-S610 VanDerWaalsContact O-CB 3.24Å; D606-S610 WeakPolarHBondContact O-CB 3.4Å; D606-S610 PolarHBondContact O-N 3.33Å; D606-S610 PolarHBondContact O-OG 3.12Å |
| 607 | F | 54.5 | Low | 51.6 | Low | 154.667 Ų | 154.667 | 90.6 Ų | 90.6 | 68% | 0.678 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.9 | -39.3 | 171.4 | -85.5 | -65.9 | 0 | 0 | 0 | 112.6 | V603 K604 N605 S610 A611 | V603-F607 HydrophobicContact CG1-CD2 3.73Å; V603-F607 HydrophobicContact CG1-CE2 3.63Å; V603-F607 WeakPolarHBondContact O-CB 3.25Å; V603-F607 VanDerWaalsContact O-CD2 3.28Å; V603-F607 WeakPolarHBondContact O-CD2 3.4Å; V603-F607 PolarHBondContact O-N 2.98Å; K604-F607 PolarHBondContact O-N 3.47Å; N605-F607 VanDerWaalsContact C-N 3.29Å; N605-F607 PolarHBondContact O-N 3.19Å; F607-S610 PolarHBondContact O-N 2.85Å; F607-A611 WeakPolarHBondContact O-CB 3.28Å; F607-A611 PolarHBondContact O-N 3.22Å |
| 608 | R | 57.6 | Low | 52.7 | Low | 164.333 Ų | 164.333 | 92.5 Ų | 92.5 | 62% | 0.62 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.8 | -48.6 | 176.8 | -178.2 | 174.7 | 174.7 | 168.4 | 1.4 | 111.3 | K604 N605 S610 A611 E612 | K604-R608 VanDerWaalsContact O-CB 3.27Å; K604-R608 WeakPolarHBondContact O-CB 3.44Å; K604-R608 PolarHBondContact O-N 3.16Å; N605-R608 CarbonylContact O-C 3.55Å; N605-R608 WeakPolarHBondContact O-CA 3.5Å; N605-R608 WeakPolarHBondContact O-CB 3.42Å; N605-R608 PolarHBondContact O-N 3.08Å; R608-S610 VanDerWaalsContact C-N 3.29Å; R608-S610 PolarHBondContact O-N 3.16Å; R608-A611 WeakPolarHBondContact O-CB 3.43Å; R608-A611 PolarHBondContact O-N 3Å; R608-A611 VanDerWaalsContact O-N 3.13Å; R608-E612 HydrophobicContact CG-CG 4.45Å; R608-E612 WeakPolarHBondContact CG-OE1 3.27Å; R608-E612 IonicContact CZ-OE1 3.54Å; R608-E612 VanDerWaalsContact CZ-OE1 3.25Å; R608-E612 IonicContact NE-OE1 3.12Å; R608-E612 PolarHBondContact NE-OE1 3.15Å; R608-E612 IonicContact NE-OE2 2.77Å; R608-E612 IonicContact NH2-OE1 3.46Å; R608-E612 PolarHBondContact NH2-OE1 3.11Å; R608-E612 WeakPolarHBondContact O-CB 3.26Å; R608-E612 WeakPolarHBondContact O-CG 3.34Å; R608-E612 PolarHBondContact O-N 3.23Å |
| 609 | A | 52.2 | Low | 53.6 | Low | 54 Ų | 54 | 89.7 Ų | 89.7 | 45% | 0.446 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.5 | -36.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | N605 A613 | N605-A609 VanDerWaalsContact O-CB 3.27Å; N605-A609 WeakPolarHBondContact O-CB 3.42Å; N605-A609 PolarHBondContact O-N 2.93Å; A609-A613 WeakPolarHBondContact O-CB 3.25Å; A609-A613 PolarHBondContact O-N 2.93Å |
| 610 | S | 60.1 | Low | 54.7 | Low | 76 Ų | 76 | 92.2 Ų | 92.2 | 53% | 0.531 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.4 | -37 | 174 | -60.7 | 0 | 0 | 0 | 0 | 112.6 | D606 F607 R608 A614 | D606-S610 VanDerWaalsContact O-CB 3.24Å; D606-S610 WeakPolarHBondContact O-CB 3.4Å; D606-S610 PolarHBondContact O-N 3.33Å; D606-S610 PolarHBondContact O-OG 3.12Å; F607-S610 PolarHBondContact O-N 2.85Å; R608-S610 VanDerWaalsContact C-N 3.29Å; R608-S610 PolarHBondContact O-N 3.16Å; S610-A614 VanDerWaalsContact O-CB 3.29Å; S610-A614 WeakPolarHBondContact O-CB 3.42Å; S610-A614 PolarHBondContact O-N 3.09Å |
| 611 | A | 55.7 | Low | 55.4 | Low | 55.3333 Ų | 55.3333 | 95.2 Ų | 95.2 | 46% | 0.457 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.5 | -44.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F607 R608 A613 A614 V615 | F607-A611 WeakPolarHBondContact O-CB 3.28Å; F607-A611 PolarHBondContact O-N 3.22Å; R608-A611 WeakPolarHBondContact O-CB 3.43Å; R608-A611 PolarHBondContact O-N 3Å; R608-A611 VanDerWaalsContact O-N 3.13Å; A611-A613 VanDerWaalsContact C-N 3.34Å; A611-A613 PolarHBondContact O-N 3.14Å; A611-A614 PolarHBondContact O-N 2.89Å; A611-V615 WeakPolarHBondContact O-CG2 3.44Å; A611-V615 PolarHBondContact O-N 3.13Å |
| 612 | E | 60 | Low | 56.2 | Low | 100 Ų | 100 | 93.4 Ų | 93.4 | 47% | 0.467 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.9 | -38.4 | 176.1 | -71.3 | 170.7 | 173.7 | 0 | 0 | 111.1 | R608 V615 A616 | R608-E612 HydrophobicContact CG-CG 4.45Å; R608-E612 WeakPolarHBondContact CG-OE1 3.27Å; R608-E612 IonicContact CZ-OE1 3.54Å; R608-E612 VanDerWaalsContact CZ-OE1 3.25Å; R608-E612 IonicContact NE-OE1 3.12Å; R608-E612 PolarHBondContact NE-OE1 3.15Å; R608-E612 IonicContact NE-OE2 2.77Å; R608-E612 IonicContact NH2-OE1 3.46Å; R608-E612 PolarHBondContact NH2-OE1 3.11Å; R608-E612 WeakPolarHBondContact O-CB 3.26Å; R608-E612 WeakPolarHBondContact O-CG 3.34Å; R608-E612 PolarHBondContact O-N 3.23Å; E612-V615 PolarHBondContact O-N 2.96Å; E612-A616 WeakPolarHBondContact O-CB 3.26Å; E612-A616 PolarHBondContact O-N 3.09Å |
| 613 | A | 61.7 | Low | 56.9 | Low | 47.3333 Ų | 47.3333 | 97.5 Ų | 97.5 | 39% | 0.391 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.5 | -36.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A609 A611 A616 Q617 | A609-A613 WeakPolarHBondContact O-CB 3.25Å; A609-A613 PolarHBondContact O-N 2.93Å; A611-A613 VanDerWaalsContact C-N 3.34Å; A611-A613 PolarHBondContact O-N 3.14Å; A613-A616 PolarHBondContact O-N 3.05Å; A613-Q617 VanDerWaalsContact O-CG 3.32Å; A613-Q617 WeakPolarHBondContact O-CG 3.39Å; A613-Q617 PolarHBondContact O-N 3.33Å; A613-Q617 VanDerWaalsContact O-N 3.08Å |
| 614 | A | 61.1 | Low | 57.1 | Low | 47 Ų | 47 | 99.5 Ų | 99.5 | 39% | 0.388 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.6 | -35.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | S610 A611 Q617 H618 | S610-A614 VanDerWaalsContact O-CB 3.29Å; S610-A614 WeakPolarHBondContact O-CB 3.42Å; S610-A614 PolarHBondContact O-N 3.09Å; A611-A614 PolarHBondContact O-N 2.89Å; A614-Q617 PolarHBondContact O-N 3.08Å; A614-H618 PolarHBondContact O-CD2 3.25Å |
| 615 | V | 62 | Low | 57.3 | Low | 87 Ų | 87 | 96.5 Ų | 96.5 | 53% | 0.527 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67 | -43.9 | 171 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | A611 E612 Q617 H618 L619 L628 | A611-V615 WeakPolarHBondContact O-CG2 3.44Å; A611-V615 PolarHBondContact O-N 3.13Å; E612-V615 PolarHBondContact O-N 2.96Å; V615-Q617 VanDerWaalsContact C-N 3.27Å; V615-Q617 PolarHBondContact O-N 3.32Å; V615-H618 WeakPolarHBondContact O-CA 3.21Å; V615-H618 PolarHBondContact O-N 3.14Å; V615-L619 PolarHBondContact O-N 3.25Å; V615-L628 HydrophobicContact CG1-CD1 4.34Å |
| 616 | A | 59.6 | Low | 57.6 | Low | 51.6667 Ų | 51.6667 | 93.8 Ų | 93.8 | 43% | 0.427 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.8 | -28.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | E612 A613 H618 L619 | E612-A616 WeakPolarHBondContact O-CB 3.26Å; E612-A616 PolarHBondContact O-N 3.09Å; A613-A616 PolarHBondContact O-N 3.05Å; A616-H618 PolarHBondContact O-N 3.04Å; A616-L619 PolarHBondContact O-N 2.79Å |
| 617 | Q | 59 | Low | 57.6 | Low | 160.667 Ų | 160.667 | 94.4 Ų | 94.4 | 75% | 0.751 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -5.4 | 172.7 | -73.1 | 177.7 | 22 | 0 | 0 | 114.2 | A613 A614 V615 | A613-Q617 VanDerWaalsContact O-CG 3.32Å; A613-Q617 WeakPolarHBondContact O-CG 3.39Å; A613-Q617 PolarHBondContact O-N 3.33Å; A613-Q617 VanDerWaalsContact O-N 3.08Å; A614-Q617 PolarHBondContact O-N 3.08Å; V615-Q617 VanDerWaalsContact C-N 3.27Å; V615-Q617 PolarHBondContact O-N 3.32Å |
| 618 | H | 60 | Low | 57.3 | Low | 167 Ų | 167 | 92.3 Ų | 92.3 | 77% | 0.773 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | -0.3 | 177.2 | -68.4 | -38.6 | 0 | 0 | 0 | 114 | A614 V615 A616 | A614-H618 PolarHBondContact O-CD2 3.25Å; V615-H618 WeakPolarHBondContact O-CA 3.21Å; V615-H618 PolarHBondContact O-N 3.14Å; A616-H618 PolarHBondContact O-N 3.04Å |
| 619 | L | 58.1 | Low | 56.6 | Low | 60.3333 Ų | 60.3333 | 91.9 Ų | 91.9 | 32% | 0.316 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -77.8 | 140 | 169.4 | -68.6 | 176.3 | 0 | 0 | 0 | 110.8 | V615 A616 E623 P625 L628 | V615-L619 PolarHBondContact O-N 3.25Å; A616-L619 PolarHBondContact O-N 2.79Å; L619-E623 HydrophobicContact CB-CB 4.29Å; L619-E623 HydrophobicContact CD2-CB 4.27Å; L619-P625 HydrophobicContact CD1-CB 4.35Å; L619-L628 HydrophobicContact CD2-CD1 4.34Å; L619-L628 HydrophobicContact CD2-CD2 4.36Å |
| 620 | P | 59.7 | Low | 56.2 | Low | 70.3333 Ų | 70.3333 | 98.7 Ų | 98.7 | 46% | 0.457 | 57% | 0.567 | S | S | . | * | trans | -67.1 | 151.2 | 170.2 | 30.5 | -34.7 | 0 | 0 | 0 | 110.7 | G622 E623 | P620-G622 PolarHBondContact O-N 3.19Å; P620-E623 VanDerWaalsContact CD-OE2 3.31Å; P620-E623 WeakPolarHBondContact CD-OE2 3.32Å; P620-E623 HydrophobicContact CG-CB 4.13Å; P620-E623 HydrophobicContact CG-CG 3.94Å; P620-E623 WeakPolarHBondContact CG-OE1 3.24Å; P620-E623 WeakPolarHBondContact CG-OE2 3.04Å; P620-E623 PolarHBondContact O-N 3.2Å; P620-E623 VanDerWaalsContact O-N 3.09Å | ||
| 621 | P | 56 | Low | 55.2 | Low | 140.667 Ų | 140.667 | 99.6 Ų | 99.6 | 91% | 0.913 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 105.8 | 179.6 | 11.3 | -13.4 | 0 | 0 | 0 | 111.4 | ||
| 622 | G | 60.6 | Low | 54.3 | Low | 68.3333 Ų | 68.3333 | 104.4 Ų | 104.4 | 70% | 0.704 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 142.1 | -22.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | P620 D627 | P620-G622 PolarHBondContact O-N 3.19Å; G622-D627 WeakPolarHBondContact CA-OD2 3.38Å; G622-D627 PolarHBondContact N-OD2 3.24Å |
| 623 | E | 58.8 | Low | 53.3 | Low | 124.333 Ų | 124.333 | 105.4 Ų | 105.4 | 58% | 0.581 | 60% | 0.6 | S | S | * | * | trans | -90.4 | 106.6 | 179.4 | -69.8 | -179.5 | 159.9 | 0 | 0 | 112.5 | L619 P620 | L619-E623 HydrophobicContact CB-CB 4.29Å; L619-E623 HydrophobicContact CD2-CB 4.27Å; P620-E623 VanDerWaalsContact CD-OE2 3.31Å; P620-E623 WeakPolarHBondContact CD-OE2 3.32Å; P620-E623 HydrophobicContact CG-CB 4.13Å; P620-E623 HydrophobicContact CG-CG 3.94Å; P620-E623 WeakPolarHBondContact CG-OE1 3.24Å; P620-E623 WeakPolarHBondContact CG-OE2 3.04Å; P620-E623 PolarHBondContact O-N 3.2Å; P620-E623 VanDerWaalsContact O-N 3.09Å | ||
| 624 | H | 52.9 | Low | 52 | Low | 110 Ų | 110 | 108 Ų | 108 | 51% | 0.509 | 61% | 0.611 | S | S | . | * | trans | -87.5 | 137 | 178.4 | -169.7 | -95.5 | 0 | 0 | 0 | 110.2 | A626 D627 | H624-A626 VanDerWaalsContact ND1-CB 3.3Å; H624-A626 WeakPolarHBondContact ND1-CB 3.34Å; H624-A626 PolarHBondContact ND1-N 3.22Å; H624-A626 PolarHBondContact O-N 2.96Å; H624-D627 VanDerWaalsContact CB-OD2 3.3Å; H624-D627 WeakPolarHBondContact CB-OD2 3.24Å; H624-D627 PolarHBondContact N-OD2 2.74Å; H624-D627 WeakPolarHBondContact O-CB 3.46Å; H624-D627 PolarHBondContact O-N 3.08Å | ||
| 625 | P | 51.8 | Low | 50.7 | Low | 92 Ų | 92 | 111.6 Ų | 111.6 | 60% | 0.597 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 0.2 | -175.5 | 26.2 | -35.7 | 0 | 0 | 0 | 114.8 | L619 | L619-P625 HydrophobicContact CD1-CB 4.35Š|
| 626 | A | 56.1 | Low | 49.3 | Very low | 48.3333 Ų | 48.3333 | 114.1 Ų | 114.1 | 40% | 0.399 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.4 | -19.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | H624 L628 H629 | H624-A626 VanDerWaalsContact ND1-CB 3.3Å; H624-A626 WeakPolarHBondContact ND1-CB 3.34Å; H624-A626 PolarHBondContact ND1-N 3.22Å; H624-A626 PolarHBondContact O-N 2.96Å; A626-L628 VanDerWaalsContact C-N 3.32Å; A626-L628 PolarHBondContact O-N 2.88Å; A626-H629 PolarHBondContact O-CD2 3.08Å |
| 627 | D | 52 | Low | 47.9 | Very low | 104 Ų | 104 | 116.7 Ų | 116.7 | 56% | 0.556 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -79.3 | -8.2 | -178.1 | -61.5 | -28.5 | 0 | 0 | 0 | 112.3 | G622 H624 H629 F630 | G622-D627 WeakPolarHBondContact CA-OD2 3.38Å; G622-D627 PolarHBondContact N-OD2 3.24Å; H624-D627 VanDerWaalsContact CB-OD2 3.3Å; H624-D627 WeakPolarHBondContact CB-OD2 3.24Å; H624-D627 PolarHBondContact N-OD2 2.74Å; H624-D627 WeakPolarHBondContact O-CB 3.46Å; H624-D627 PolarHBondContact O-N 3.08Å; D627-H629 PolarHBondContact O-N 3.43Å; D627-H629 VanDerWaalsContact O-N 3.09Å; D627-F630 PolarHBondContact O-N 2.81Å |
| 628 | L | 48 | Very low | 46.6 | Very low | 110.667 Ų | 110.667 | 115.2 Ų | 115.2 | 58% | 0.579 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -78.4 | 7.8 | 176.1 | -67.8 | 176.5 | 0 | 0 | 0 | 113.7 | V615 L619 A626 F630 V631 | V615-L628 HydrophobicContact CG1-CD1 4.34Å; L619-L628 HydrophobicContact CD2-CD1 4.34Å; L619-L628 HydrophobicContact CD2-CD2 4.36Å; A626-L628 VanDerWaalsContact C-N 3.32Å; A626-L628 PolarHBondContact O-N 2.88Å; L628-F630 PolarHBondContact O-N 2.88Å; L628-F630 VanDerWaalsContact O-N 3.09Å; L628-V631 HydrophobicContact CD2-CB 4.32Å; L628-V631 HydrophobicContact CD2-CG2 4.16Å; L628-V631 PolarHBondContact O-N 3.42Å; L628-V631 VanDerWaalsContact O-N 3.13Å |
| 629 | H | 44.1 | Very low | 45.1 | Very low | 155 Ų | 155 | 113 Ų | 113 | 72% | 0.718 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -81.6 | 9 | 168.6 | -71.4 | -62.3 | 0 | 0 | 0 | 113 | A626 D627 | A626-H629 PolarHBondContact O-CD2 3.08Å; D627-H629 PolarHBondContact O-N 3.43Å; D627-H629 VanDerWaalsContact O-N 3.09Å |
| 630 | F | 42.2 | Very low | 43.7 | Very low | 196 Ų | 196 | 115.6 Ų | 115.6 | 86% | 0.86 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -132.4 | 18.4 | 178.3 | -60.6 | -76.9 | 0 | 0 | 0 | 115.3 | D627 L628 D632 | D627-F630 PolarHBondContact O-N 2.81Å; L628-F630 PolarHBondContact O-N 2.88Å; L628-F630 VanDerWaalsContact O-N 3.09Å; F630-D632 PolarHBondContact O-N 3.29Å |
| 631 | V | 40.8 | Very low | 42.2 | Very low | 95 Ų | 95 | 117.1 Ų | 117.1 | 58% | 0.576 | 69% | 0.687 | S | S | * | * | trans | -97.3 | 99.9 | 168.3 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | L628 V633 | L628-V631 HydrophobicContact CD2-CB 4.32Å; L628-V631 HydrophobicContact CD2-CG2 4.16Å; L628-V631 PolarHBondContact O-N 3.42Å; L628-V631 VanDerWaalsContact O-N 3.13Å; V631-V633 HydrophobicContact CG1-CG2 3.87Å; V631-V633 PolarHBondContact O-N 3.01Å | ||
| 632 | D | 36.6 | Very low | 41 | Very low | 157.333 Ų | 157.333 | 117.2 Ų | 117.2 | 84% | 0.841 | 69% | 0.685 | S | S | * | * | trans | -66.5 | 98.5 | 165.9 | -89.2 | -37.6 | 0 | 0 | 0 | 109.3 | F630 T634 | F630-D632 PolarHBondContact O-N 3.29Å; D632-T634 HydrophobicContact CB-CG2 4.46Å; D632-T634 PolarHBondContact O-N 3.4Å | ||
| 633 | V | 38.9 | Very low | 39.4 | Very low | 120 Ų | 120 | 124.4 Ų | 124.4 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | trans | -89.4 | 81.2 | 170.2 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | V631 P635 | V631-V633 HydrophobicContact CG1-CG2 3.87Å; V631-V633 PolarHBondContact O-N 3.01Å; V633-P635 VanDerWaalsContact O-CD 3.23Å; V633-P635 WeakPolarHBondContact O-CD 3.42Å; V633-P635 VanDerWaalsContact O-N 3.13Å | ||
| 634 | T | 34.3 | Very low | 38 | Very low | 102 Ų | 102 | 123.4 Ų | 123.4 | 63% | 0.626 | 70% | 0.698 | S | S | * | * | trans | -3.9 | 105.6 | 141 | 73.4 | 0 | 0 | 0 | 0 | 114.3 | D632 I636 | D632-T634 HydrophobicContact CB-CG2 4.46Å; D632-T634 PolarHBondContact O-N 3.4Å; T634-I636 PolarHBondContact O-N 2.74Å; T634-I636 WeakPolarHBondContact OG1-CD1 3.09Å | ||
| 635 | P | 33.6 | Very low | 36.9 | Very low | 123.333 Ų | 123.333 | 123.1 Ų | 123.1 | 80% | 0.801 | 71% | 0.708 | S | S | * | * | trans | -66.7 | 111.3 | -179.1 | 26.6 | -33.3 | 0 | 0 | 0 | 109.7 | V633 P637 | V633-P635 VanDerWaalsContact O-CD 3.23Å; V633-P635 WeakPolarHBondContact O-CD 3.42Å; V633-P635 VanDerWaalsContact O-N 3.13Å; P635-P637 WeakPolarHBondContact O-CD 3.26Å | ||
| 636 | I | 32.9 | Very low | 35.8 | Very low | 139.667 Ų | 139.667 | 126.1 Ų | 126.1 | 72% | 0.716 | 72% | 0.719 | S | S | * | * | trans | -77.5 | 126.3 | -178.9 | -65 | 177.3 | 0 | 0 | 0 | 107.9 | T634 V638 | T634-I636 PolarHBondContact O-N 2.74Å; T634-I636 WeakPolarHBondContact OG1-CD1 3.09Å; I636-V638 HydrophobicContact CG2-CG2 4.3Å; I636-V638 PolarHBondContact O-N 2.85Å; I636-V638 VanDerWaalsContact O-N 3.1Å | ||
| 637 | P | 29.8 | Very low | 34.5 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | trans | -74 | 138.5 | -171.6 | 28.4 | -34.4 | 0 | 0 | 0 | 110.9 | P635 T639 | P635-P637 WeakPolarHBondContact O-CD 3.26Å; P637-T639 VanDerWaalsContact C-N 3.25Å; P637-T639 HydrophobicContact CB-CG2 3.9Å; P637-T639 PolarHBondContact O-N 3.35Å; P637-T639 PolarHBondContact O-OG1 2.81Å | ||
| 638 | V | 30.7 | Very low | 33.4 | Very low | 130.333 Ų | 130.333 | 131.4 Ų | 131.4 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | trans | -47.6 | 73.5 | 173.5 | -170.5 | 0 | 0 | 0 | 0 | 110.2 | I636 S640 | I636-V638 HydrophobicContact CG2-CG2 4.3Å; I636-V638 PolarHBondContact O-N 2.85Å; I636-V638 VanDerWaalsContact O-N 3.1Å; V638-S640 PolarHBondContact O-N 3.07Å | ||
| 639 | T | 29.5 | Very low | 32.6 | Very low | 119.333 Ų | 119.333 | 131.5 Ų | 131.5 | 73% | 0.732 | 75% | 0.754 | S | S | * | * | trans | -54.8 | 97.1 | 152.9 | 49.3 | 0 | 0 | 0 | 0 | 112.8 | P637 S641 | P637-T639 VanDerWaalsContact C-N 3.25Å; P637-T639 HydrophobicContact CB-CG2 3.9Å; P637-T639 PolarHBondContact O-N 3.35Å; P637-T639 PolarHBondContact O-OG1 2.81Å; T639-S641 VanDerWaalsContact C-N 3.31Å; T639-S641 PolarHBondContact O-N 2.85Å | ||
| 640 | S | 27.5 | Very low | 32.1 | Very low | 116.667 Ų | 116.667 | 131.7 Ų | 131.7 | 82% | 0.816 | 76% | 0.76 | S | S | * | * | trans | -58.7 | 84.9 | 158.1 | 53.8 | 0 | 0 | 0 | 0 | 115.8 | V638 | V638-S640 PolarHBondContact O-N 3.07Š| ||
| 641 | S | 29.1 | Very low | 31.5 | Very low | 101.333 Ų | 101.333 | 128.1 Ų | 128.1 | 71% | 0.709 | 76% | 0.758 | S | S | * | * | trans | 84.2 | 85.6 | 156.9 | -178.5 | 0 | 0 | 0 | 0 | 118.3 | T639 | T639-S641 VanDerWaalsContact C-N 3.31Å; T639-S641 PolarHBondContact O-N 2.85Å | ||
| 642 | V | 30.2 | Very low | 30.9 | Very low | 142.333 Ų | 142.333 | 131.5 Ų | 131.5 | 86% | 0.863 | 77% | 0.769 | S | S | * | * | trans | -126.3 | 111.1 | 135.3 | -175.1 | 0 | 0 | 0 | 0 | 107.1 | S644 | V642-S644 PolarHBondContact O-N 3.47Š| ||
| 643 | R | 28.5 | Very low | 30.5 | Very low | 220.333 Ų | 220.333 | 129.8 Ų | 129.8 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | trans | -29.4 | 127.3 | 154.9 | -117.8 | 178.5 | 179.4 | 160.8 | -2 | 112 | S645 | R643-S645 PolarHBondContact O-N 3.39Å; R643-S645 PolarHBondContact O-OG 2.98Å | ||
| 644 | S | 27.6 | Very low | 29.9 | Very low | 103.333 Ų | 103.333 | 130.1 Ų | 130.1 | 72% | 0.723 | 77% | 0.767 | S | S | * | * | -89.8 | 134 | 60.9 | -58.2 | 0 | 0 | 0 | 0 | 113.3 | V642 | V642-S644 PolarHBondContact O-N 3.47Š| |||
| 645 | S | 30.7 | Very low | 29.7 | Very low | 103.667 Ų | 103.667 | 130.1 Ų | 130.1 | 73% | 0.725 | 77% | 0.771 | S | S | * | * | trans | 7.9 | 108 | 174.5 | 29.4 | 0 | 0 | 0 | 0 | 114.3 | R643 I647 | R643-S645 PolarHBondContact O-N 3.39Å; R643-S645 PolarHBondContact O-OG 2.98Å; S645-I647 PolarHBondContact O-N 2.89Å | ||
| 646 | N | 28.7 | Very low | 29.6 | Very low | 154 Ų | 154 | 129.6 Ų | 129.6 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | 41.8 | 125.9 | 74.3 | -83.2 | -6.1 | 0 | 0 | 0 | 113.8 | |||||
| 647 | I | 29.1 | Very low | 29.4 | Very low | 166 Ų | 166 | 131.8 Ų | 131.8 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | 173.1 | 120.1 | 154.2 | -71.5 | 162 | 0 | 0 | 0 | 110.6 | S645 | S645-I647 PolarHBondContact O-N 2.89Š| ||
| 648 | S | 29.3 | Very low | 29.5 | Very low | 99 Ų | 99 | 135.1 Ų | 135.1 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | trans | 61.8 | 139.8 | 142.6 | -168.2 | 0 | 0 | 0 | 0 | 115.6 | N650 | S648-N650 PolarHBondContact O-N 3.32Å; S648-N650 PolarHBondContact OG-N 3.44Å | ||
| 649 | P | 31.2 | Very low | 29.4 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -106.8 | 132.3 | 152.3 | 36.4 | -31 | 0 | 0 | 0 | 113.1 | ||
| 650 | N | 33.2 | Very low | 29.5 | Very low | 158.667 Ų | 158.667 | 133.2 Ų | 133.2 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | trans | 157.8 | 125.7 | 143.9 | -88.6 | -28.5 | 0 | 0 | 0 | 116.2 | S648 | S648-N650 PolarHBondContact O-N 3.32Å; S648-N650 PolarHBondContact OG-N 3.44Å | ||
| 651 | C | 29.5 | Very low | 29.7 | Very low | 120.667 Ų | 120.667 | 135.6 Ų | 135.6 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | trans | 109.9 | 139.4 | 155.5 | -149.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 652 | M | 27 | Very low | 29.7 | Very low | 166 Ų | 166 | 133.5 Ų | 133.5 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -58.2 | 155.6 | 178.1 | -54.2 | 171.1 | 92.5 | 0 | 0 | 115.8 | ||||
| 653 | T | 28.9 | Very low | 29.7 | Very low | 122.667 Ų | 122.667 | 132 Ų | 132 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | 154.2 | 119.8 | 105.3 | -58.9 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 654 | V | 27.6 | Very low | 29.8 | Very low | 126.333 Ų | 126.333 | 129 Ų | 129 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | trans | 30.6 | 122.1 | 142.8 | -178.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 655 | S | 29.2 | Very low | 30 | Very low | 101.333 Ų | 101.333 | 129.3 Ų | 129.3 | 71% | 0.709 | 76% | 0.763 | S | S | * | * | 163.3 | 134 | 109 | -130.9 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 656 | T | 30.7 | Very low | 30.2 | Very low | 113.667 Ų | 113.667 | 127.4 Ų | 127.4 | 70% | 0.697 | 76% | 0.76 | S | S | * | * | trans | 35 | 129.7 | 148.9 | 43.1 | 0 | 0 | 0 | 0 | 121.5 | Q658 | T656-Q658 PolarHBondContact O-N 2.81Š| ||
| 657 | K | 30 | Very low | 30.4 | Very low | 185 Ų | 185 | 126.2 Ų | 126.2 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | 46.9 | 124.2 | 136.7 | -67.2 | 175.5 | 177.2 | -179.1 | 0 | 119.8 | ||||
| 658 | Q | 31.4 | Very low | 30.5 | Very low | 173.667 Ų | 173.667 | 125 Ų | 125 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | trans | 104.5 | 134.7 | 145.1 | -79.8 | 167.8 | -59.8 | 0 | 0 | 116 | T656 | T656-Q658 PolarHBondContact O-N 2.81Š| ||
| 659 | S | 29.4 | Very low | 30.8 | Very low | 94 Ų | 94 | 126.5 Ų | 126.5 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | cis | 166.6 | 153.1 | 19 | 88.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 660 | T | 30 | Very low | 31 | Very low | 117.333 Ų | 117.333 | 127.4 Ų | 127.4 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | trans | 45.9 | 136.8 | 144.3 | 15.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 661 | I | 31.5 | Very low | 31 | Very low | 166 Ų | 166 | 127.3 Ų | 127.3 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | trans | 81.5 | 137.9 | 150.9 | -58.4 | 160.8 | 0 | 0 | 0 | 116.5 | ||||
| 662 | G | 30.9 | Very low | 31.2 | Very low | 57.3333 Ų | 57.3333 | 129.5 Ų | 129.5 | 59% | 0.591 | 74% | 0.738 | S | S | * | * | cis | 131.5 | 116.5 | -10.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 663 | S | 30.3 | Very low | 31.5 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | 73 | 160.5 | 142.4 | 82 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 664 | L | 30.1 | Very low | 31.9 | Very low | 157.333 Ų | 157.333 | 128.4 Ų | 128.4 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | trans | 96.7 | 179.6 | 153.5 | -83.3 | 168.2 | 0 | 0 | 0 | 115.6 | ||||
| 665 | S | 30.5 | Very low | 32.2 | Very low | 109.667 Ų | 109.667 | 127.9 Ų | 127.9 | 77% | 0.767 | 74% | 0.735 | S | S | * | * | cis | -160.8 | 163.5 | -32.6 | -125 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 666 | G | 35 | Very low | 32.4 | Very low | 63.6667 Ų | 63.6667 | 127.4 Ų | 127.4 | 66% | 0.656 | 73% | 0.732 | S | S | * | * | trans | 143.4 | 159.8 | 155.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 667 | T | 34.1 | Very low | 32.4 | Very low | 129.333 Ų | 129.333 | 129.2 Ų | 129.2 | 79% | 0.793 | 73% | 0.734 | S | S | * | * | cis | 164.9 | 141.2 | 24.2 | 42.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 668 | L | 31 | Very low | 32.6 | Very low | 141 Ų | 141 | 129.3 Ų | 129.3 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | 47.4 | 145.1 | 69 | -139.4 | 65.4 | 0 | 0 | 0 | 113.8 | |||||
| 669 | D | 34.9 | Very low | 32.7 | Very low | 130.667 Ų | 130.667 | 128.3 Ų | 128.3 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | 155.8 | 161.1 | 119.2 | -91.5 | -28.2 | 0 | 0 | 0 | 113.5 | |||||
| 670 | H | 35 | Very low | 33 | Very low | 130.667 Ų | 130.667 | 128.5 Ų | 128.5 | 61% | 0.605 | 73% | 0.733 | S | S | * | * | cis | -160.5 | 177.2 | -13 | -142.8 | -56.9 | 0 | 0 | 0 | 111.2 | ||||
| 671 | F | 34.3 | Very low | 33.2 | Very low | 156.333 Ų | 156.333 | 130.4 Ų | 130.4 | 69% | 0.686 | 73% | 0.733 | S | S | * | * | trans | 47.3 | 122.1 | 169.3 | -64.5 | -67.3 | 0 | 0 | 0 | 119 | ||||
| 672 | E | 33.8 | Very low | 33.2 | Very low | 166.333 Ų | 166.333 | 128.7 Ų | 128.7 | 78% | 0.777 | 73% | 0.726 | S | S | * | * | 91.3 | 141 | 64 | -94.2 | 166.7 | -172.2 | 0 | 0 | 114.2 | |||||
| 673 | A | 33 | Very low | 33.2 | Very low | 89.3333 Ų | 89.3333 | 131.6 Ų | 131.6 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | 172.8 | 157.2 | 87.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 674 | E | 36.6 | Very low | 33.2 | Very low | 175.667 Ų | 175.667 | 131 Ų | 131 | 82% | 0.821 | 73% | 0.729 | S | S | * | * | cis | -160.8 | 171.3 | 27 | -134.2 | -173.6 | -124.4 | 0 | 0 | 110.2 | ||||
| 675 | T | 35 | Very low | 33.1 | Very low | 116.667 Ų | 116.667 | 130.1 Ų | 130.1 | 72% | 0.716 | 73% | 0.729 | S | S | * | * | trans | 78.7 | 136.5 | 164.4 | -72.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 676 | S | 32.6 | Very low | 32.9 | Very low | 90.6667 Ų | 90.6667 | 129.5 Ų | 129.5 | 63% | 0.634 | 73% | 0.725 | S | S | * | * | cis | 164.9 | 148.4 | -4 | -140.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 677 | M | 31 | Very low | 32.6 | Very low | 152.333 Ų | 152.333 | 131.9 Ų | 131.9 | 75% | 0.75 | 73% | 0.727 | S | S | * | * | trans | 50.1 | 147.8 | 148.9 | -55.8 | -152 | -102.8 | 0 | 0 | 119.1 | ||||
| 678 | K | 35 | Very low | 32.4 | Very low | 186.333 Ų | 186.333 | 131.6 Ų | 131.6 | 81% | 0.81 | 73% | 0.725 | S | S | * | * | cis | -152.3 | 166.1 | 4 | -108.4 | 173.8 | -176.8 | 175.4 | 0 | 111.1 | ||||
| 679 | L | 32.7 | Very low | 32.2 | Very low | 153.333 Ų | 153.333 | 133.4 Ų | 133.4 | 80% | 0.803 | 73% | 0.727 | S | S | * | * | trans | -91.9 | 158.5 | 175.6 | -147.3 | 59.3 | 0 | 0 | 0 | 109.6 | ||||
| 680 | P | 36.7 | Very low | 31.9 | Very low | 96.6667 Ų | 96.6667 | 131.7 Ų | 131.7 | 63% | 0.628 | 73% | 0.725 | S | S | * | * | cis | -129.7 | -170.4 | 41.2 | 42.1 | -27.3 | 0 | 0 | 0 | 117.6 | ||||
| 681 | Q | 32.6 | Very low | 31.6 | Very low | 157.333 Ų | 157.333 | 131.8 Ų | 131.8 | 74% | 0.735 | 74% | 0.735 | S | S | * | * | trans | 49.5 | 143.9 | 155 | -68.5 | 164.5 | -71.8 | 0 | 0 | 118.1 | ||||
| 682 | D | 31 | Very low | 31.3 | Very low | 130.333 Ų | 130.333 | 129.1 Ų | 129.1 | 70% | 0.697 | 74% | 0.735 | S | S | * | * | cis | -161.5 | 164.5 | 34.7 | -113.1 | -27 | 0 | 0 | 0 | 114.8 | ||||
| 683 | T | 31.8 | Very low | 31.2 | Very low | 118.667 Ų | 118.667 | 128.1 Ų | 128.1 | 73% | 0.728 | 73% | 0.734 | S | S | * | * | trans | 48.8 | 137.9 | 152.6 | -12.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 684 | S | 30.1 | Very low | 31 | Very low | 99.6667 Ų | 99.6667 | 130.3 Ų | 130.3 | 70% | 0.697 | 73% | 0.733 | S | S | * | * | cis | 115.7 | 141.8 | 32.9 | 57.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 685 | V | 27.3 | Very low | 30.7 | Very low | 137 Ų | 137 | 127.7 Ų | 127.7 | 83% | 0.83 | 73% | 0.73 | S | S | * | * | 94.9 | 140.9 | 57.9 | -179 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 686 | S | 26.6 | Very low | 30.5 | Very low | 97.6667 Ų | 97.6667 | 126.6 Ų | 126.6 | 68% | 0.683 | 73% | 0.727 | S | S | * | * | 114.4 | 138.9 | 129.1 | -159.7 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 687 | T | 28.9 | Very low | 30.3 | Very low | 113.333 Ų | 113.333 | 129.4 Ų | 129.4 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | 66 | 138.7 | 82.6 | -35.6 | 0 | 0 | 0 | 0 | 115.8 | F689 | T687-F689 HydrophobicContact CG2-CE2 4.34Š| |||
| 688 | V | 30.4 | Very low | 30.4 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 75% | 0.745 | 73% | 0.734 | S | S | * | * | -142.7 | 135.7 | 124.5 | 155.7 | 0 | 0 | 0 | 0 | 112 | |||||
| 689 | F | 26.6 | Very low | 30.2 | Very low | 179.667 Ų | 179.667 | 126.3 Ų | 126.3 | 79% | 0.788 | 73% | 0.727 | S | S | * | * | trans | -36.2 | 146.3 | 152.5 | -61.7 | -87.5 | 0 | 0 | 0 | 114.6 | T687 | T687-F689 HydrophobicContact CG2-CE2 4.34Š| ||
| 690 | S | 28.3 | Very low | 30.2 | Very low | 95 Ų | 95 | 125 Ų | 125 | 66% | 0.664 | 72% | 0.721 | S | S | * | * | cis | 163.5 | 151.2 | 41.8 | -84.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 691 | T | 28.8 | Very low | 30 | Very low | 132 Ų | 132 | 126.4 Ų | 126.4 | 81% | 0.81 | 72% | 0.723 | S | S | * | * | trans | 32.1 | 139 | 170.2 | 56.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 692 | S | 28.6 | Very low | 29.8 | Very low | 99.3333 Ų | 99.3333 | 129.1 Ų | 129.1 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | 154.5 | 129.4 | 52.4 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 693 | I | 31 | Very low | 29.7 | Very low | 146.333 Ų | 146.333 | 130.1 Ų | 130.1 | 75% | 0.75 | 73% | 0.731 | S | S | * | * | 94.9 | 131.1 | 113.7 | -73.6 | 163.4 | 0 | 0 | 0 | 112.5 | |||||
| 694 | D | 29.5 | Very low | 29.6 | Very low | 134.667 Ų | 134.667 | 128.4 Ų | 128.4 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | cis | -119.8 | 154.7 | 27.4 | -85.5 | -58.3 | 0 | 0 | 0 | 113.9 | ||||
| 695 | T | 30.7 | Very low | 29.6 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | 90 | 135.5 | 121.7 | 59.1 | 0 | 0 | 0 | 0 | 114 | |||||
| 696 | S | 30.9 | Very low | 29.7 | Very low | 92.3333 Ų | 92.3333 | 129.9 Ų | 129.9 | 65% | 0.646 | 73% | 0.733 | S | S | * | * | cis | 179 | 132.1 | 21.7 | 62 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 697 | L | 28.6 | Very low | 29.9 | Very low | 150 Ų | 150 | 136 Ų | 136 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | 63.8 | 145.9 | 115.5 | -57.6 | 166.8 | 0 | 0 | 0 | 116 | L699 | L697-L699 HydrophobicContact CD2-CD1 4.02Š| |||
| 698 | I | 32 | Very low | 30 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | 105.6 | 114.7 | 122.6 | -69.3 | 173.2 | 0 | 0 | 0 | 114.1 | |||||
| 699 | L | 30.5 | Very low | 30 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 66% | 0.66 | 73% | 0.73 | S | S | * | * | 103.5 | 134.7 | 56.2 | -104.3 | 134.9 | 0 | 0 | 0 | 113.4 | L697 | L697-L699 HydrophobicContact CD2-CD1 4.02Š| |||
| 700 | N | 33.4 | Very low | 30 | Very low | 127.333 Ų | 127.333 | 134.4 Ų | 134.4 | 68% | 0.681 | 73% | 0.73 | S | S | * | * | -140 | 142.7 | 103.3 | -81.2 | -60.4 | 0 | 0 | 0 | 112.3 | |||||
| 701 | N | 31.2 | Very low | 30.1 | Very low | 125.667 Ų | 125.667 | 139.4 Ų | 139.4 | 67% | 0.672 | 74% | 0.735 | S | S | * | * | 77.3 | 131.7 | 106.4 | -71.4 | -43.2 | 0 | 0 | 0 | 114.1 | |||||
| 702 | R | 29.4 | Very low | 30.2 | Very low | 213.333 Ų | 213.333 | 140.8 Ų | 140.8 | 81% | 0.805 | 73% | 0.732 | S | S | * | * | cis | 172.7 | 143.4 | 40 | -109.1 | 177 | 173.2 | 171.6 | -2 | 112.9 | ||||
| 703 | L | 29.9 | Very low | 30.2 | Very low | 152.667 Ų | 152.667 | 141.7 Ų | 141.7 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | trans | 44.7 | 123.8 | 149.7 | -57.8 | 164.5 | 0 | 0 | 0 | 117 | ||||
| 704 | A | 28.8 | Very low | 30.1 | Very low | 82 Ų | 82 | 137.8 Ų | 137.8 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | cis | 101.1 | 152.8 | 30.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 705 | M | 30.4 | Very low | 30.1 | Very low | 184.667 Ų | 184.667 | 138.1 Ų | 138.1 | 91% | 0.91 | 74% | 0.736 | S | S | * | * | trans | 89.3 | 145.6 | 159.7 | -53 | -178.2 | -89.5 | 0 | 0 | 114.2 | ||||
| 706 | A | 29.7 | Very low | 30.2 | Very low | 84.3333 Ų | 84.3333 | 140.5 Ų | 140.5 | 70% | 0.697 | 74% | 0.738 | S | S | * | * | cis | 165 | 159.8 | 18.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 707 | R | 31.1 | Very low | 30.1 | Very low | 225.333 Ų | 225.333 | 140.6 Ų | 140.6 | 85% | 0.85 | 74% | 0.739 | S | S | * | * | trans | 103.6 | 118.6 | 166.7 | -100.2 | -173.5 | 167.5 | 116.8 | 3.6 | 114.9 | ||||
| 708 | D | 29.6 | Very low | 30 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 59% | 0.588 | 74% | 0.736 | S | S | * | * | 87.7 | 124.2 | 123.4 | -61.6 | -29.3 | 0 | 0 | 0 | 116.2 | I729 N730 R731 | D708-I729 HydrophobicContact CB-CG1 4.22Å; D708-N730 VanDerWaalsContact CB-OD1 3.24Å; D708-N730 WeakPolarHBondContact CB-OD1 3.35Å; D708-N730 VanDerWaalsContact CG-OD1 3.3Å; D708-N730 PolarHBondContact OD1-ND2 2.82Å; D708-N730 PolarHBondContact OD1-OD1 2.88Å; D708-N730 PolarHBondContact OD2-ND2 3.15Å; D708-R731 IonicContact OD1-NH2 2.57Å | |||
| 709 | S | 30.2 | Very low | 29.9 | Very low | 89 Ų | 89 | 136.7 Ų | 136.7 | 62% | 0.622 | 73% | 0.732 | S | S | * | * | trans | 88 | 122.1 | 142.9 | -65.3 | 0 | 0 | 0 | 0 | 118.3 | N730 R731 | S709-N730 WeakPolarHBondContact OG-CA 3.41Å; S709-N730 PolarHBondContact OG-OD1 3.33Å; S709-R731 PolarHBondContact OG-N 2.83Å | ||
| 710 | F | 28.3 | Very low | 29.9 | Very low | 183.333 Ų | 183.333 | 138.1 Ų | 138.1 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | 70.1 | 125.6 | 101.2 | -95 | -80.9 | 0 | 0 | 0 | 118.9 | |||||
| 711 | R | 29.3 | Very low | 29.9 | Very low | 199.667 Ų | 199.667 | 137.6 Ų | 137.6 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | 98.1 | 138.2 | 126.4 | -77.2 | -176.1 | 177.9 | -125 | 2.6 | 117 | |||||
| 712 | Q | 30.3 | Very low | 29.9 | Very low | 162.333 Ų | 162.333 | 136.5 Ų | 136.5 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | trans | 63.2 | 103.1 | 146.3 | -59.7 | 177.2 | -35.8 | 0 | 0 | 116.8 | ||||
| 713 | S | 28.6 | Very low | 30 | Very low | 118 Ų | 118 | 132 Ų | 132 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | 108 | 132.1 | 90 | 66.7 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 714 | G | 30.6 | Very low | 30.2 | Very low | 63.6667 Ų | 63.6667 | 130.4 Ų | 130.4 | 66% | 0.656 | 74% | 0.737 | S | S | * | * | cis | 157.1 | 147.8 | 36.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 715 | D | 29.5 | Very low | 30.4 | Very low | 141.667 Ų | 141.667 | 134.2 Ų | 134.2 | 76% | 0.758 | 74% | 0.741 | S | S | * | * | trans | -105.8 | 162.9 | 164.5 | -66.7 | -58.8 | 0 | 0 | 0 | 113.5 | ||||
| 716 | H | 31.7 | Very low | 30.5 | Very low | 173 Ų | 173 | 130.4 Ų | 130.4 | 80% | 0.801 | 73% | 0.729 | S | S | * | * | trans | 77.9 | 132.3 | 141.9 | -57.8 | -62.2 | 0 | 0 | 0 | 116.5 | ||||
| 717 | S | 27.9 | Very low | 30.7 | Very low | 93.3333 Ų | 93.3333 | 132.4 Ų | 132.4 | 65% | 0.653 | 73% | 0.732 | S | S | * | * | cis | 112 | 145.3 | 34.3 | 36.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 718 | T | 28.3 | Very low | 30.7 | Very low | 120.333 Ų | 120.333 | 126.3 Ų | 126.3 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | trans | 54.8 | 107.7 | 149.5 | 48.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 719 | S | 28.1 | Very low | 30.8 | Very low | 96 Ų | 96 | 127.7 Ų | 127.7 | 67% | 0.671 | 73% | 0.73 | S | S | * | * | 88.8 | 147 | 83.7 | 74.6 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 720 | I | 31.2 | Very low | 30.8 | Very low | 154.667 Ų | 154.667 | 128.4 Ų | 128.4 | 79% | 0.793 | 73% | 0.727 | S | S | * | * | trans | 104.2 | 132.2 | 150.1 | -73.5 | 159.1 | 0 | 0 | 0 | 113.8 | ||||
| 721 | P | 34.1 | Very low | 30.9 | Very low | 116.667 Ų | 116.667 | 129.1 Ų | 129.1 | 76% | 0.758 | 72% | 0.724 | S | S | * | * | trans | -114.9 | 162 | -163.5 | 38.7 | -29.1 | 0 | 0 | 0 | 114.5 | ||||
| 722 | S | 31.5 | Very low | 30.9 | Very low | 102 Ų | 102 | 126.1 Ų | 126.1 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | trans | -150.2 | 143 | 158.5 | 96.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 723 | T | 31.4 | Very low | 30.8 | Very low | 119 Ų | 119 | 124.3 Ų | 124.3 | 73% | 0.73 | 72% | 0.718 | S | S | * | * | -166.5 | 154.9 | 51.6 | 11.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 724 | V | 33.2 | Very low | 30.8 | Very low | 120 Ų | 120 | 124.4 Ų | 124.4 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | trans | 79 | 133.8 | 138.9 | 158.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 725 | E | 33.2 | Very low | 30.9 | Very low | 160.667 Ų | 160.667 | 124.6 Ų | 124.6 | 75% | 0.751 | 72% | 0.715 | S | S | * | * | cis | 162.7 | 150 | -2.6 | -107.8 | 173.8 | -143.2 | 0 | 0 | 114.8 | ||||
| 726 | T | 31.7 | Very low | 30.8 | Very low | 106.333 Ų | 106.333 | 127.3 Ų | 127.3 | 65% | 0.652 | 72% | 0.721 | S | S | * | * | 7.4 | 147.6 | 100.5 | -20.5 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 727 | T | 33.9 | Very low | 30.7 | Very low | 126.333 Ų | 126.333 | 123.6 Ų | 123.6 | 78% | 0.775 | 71% | 0.714 | S | S | * | * | trans | 96.3 | 150.7 | 131 | 34.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 728 | S | 32.4 | Very low | 30.7 | Very low | 96 Ų | 96 | 128.7 Ų | 128.7 | 67% | 0.671 | 72% | 0.719 | S | S | * | * | cis | -144.7 | 156.4 | -8.6 | 48.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 729 | I | 31.4 | Very low | 30.7 | Very low | 138.667 Ų | 138.667 | 129.7 Ų | 129.7 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | 157.1 | 134.9 | 110.4 | -93.1 | 160 | 0 | 0 | 0 | 113 | D708 | D708-I729 HydrophobicContact CB-CG1 4.22Š| |||
| 730 | N | 31.3 | Very low | 30.9 | Very low | 105.333 Ų | 105.333 | 129 Ų | 129 | 56% | 0.563 | 72% | 0.715 | S | S | * | * | trans | 57.7 | 143.9 | 156.8 | -69 | -37.5 | 0 | 0 | 0 | 120 | D708 S709 | D708-N730 VanDerWaalsContact CB-OD1 3.24Å; D708-N730 WeakPolarHBondContact CB-OD1 3.35Å; D708-N730 VanDerWaalsContact CG-OD1 3.3Å; D708-N730 PolarHBondContact OD1-ND2 2.82Å; D708-N730 PolarHBondContact OD1-OD1 2.88Å; D708-N730 PolarHBondContact OD2-ND2 3.15Å; S709-N730 WeakPolarHBondContact OG-CA 3.41Å; S709-N730 PolarHBondContact OG-OD1 3.33Å | ||
| 731 | R | 29.4 | Very low | 30.8 | Very low | 198.333 Ų | 198.333 | 130.4 Ų | 130.4 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | 145.6 | 138.5 | 90.6 | -98.1 | 171.9 | -171.9 | -169 | -0.2 | 117 | D708 S709 | D708-R731 IonicContact OD1-NH2 2.57Å; S709-R731 PolarHBondContact OG-N 2.83Å | |||
| 732 | L | 28.5 | Very low | 30.8 | Very low | 135.333 Ų | 135.333 | 129.2 Ų | 129.2 | 71% | 0.709 | 72% | 0.718 | S | S | * | * | trans | 63.7 | 136.5 | 139 | -63 | 168.3 | 0 | 0 | 0 | 119.7 | ||||
| 733 | N | 29.4 | Very low | 30.6 | Very low | 125.667 Ų | 125.667 | 129.6 Ų | 129.6 | 67% | 0.672 | 72% | 0.721 | S | S | * | * | cis | 179.2 | 141.6 | 26.4 | -105.5 | -4.6 | 0 | 0 | 0 | 113.7 | ||||
| 734 | T | 29 | Very low | 30.5 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | 50.7 | 118.8 | 121.1 | 63.7 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 735 | G | 32.6 | Very low | 30.3 | Very low | 67 Ų | 67 | 130.1 Ų | 130.1 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | 177 | 137.8 | 126.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 736 | F | 27.5 | Very low | 30.1 | Very low | 199.667 Ų | 199.667 | 127 Ų | 127 | 88% | 0.876 | 72% | 0.717 | S | S | * | * | trans | 34.8 | 148.7 | 164.6 | -73.9 | -94.8 | 0 | 0 | 0 | 118.2 | ||||
| 737 | S | 28.1 | Very low | 29.9 | Very low | 94.3333 Ų | 94.3333 | 131.4 Ų | 131.4 | 66% | 0.66 | 72% | 0.723 | S | S | * | * | cis | 161 | 156 | -1.6 | -113 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 738 | R | 28.6 | Very low | 29.6 | Very low | 201.333 Ų | 201.333 | 131.1 Ų | 131.1 | 76% | 0.76 | 72% | 0.717 | S | S | * | * | trans | 26.5 | 162.8 | 148.9 | -80.3 | 172.7 | 161.7 | -140.5 | -1.3 | 117.6 | ||||
| 739 | E | 28.5 | Very low | 29.6 | Very low | 139.333 Ų | 139.333 | 132.1 Ų | 132.1 | 65% | 0.651 | 72% | 0.718 | S | S | * | * | cis | -156.2 | 177.6 | 5.5 | -145.9 | 130 | -134.6 | 0 | 0 | 110.4 | ||||
| 740 | A | 31.9 | Very low | 29.4 | Very low | 82 Ų | 82 | 131.6 Ų | 131.6 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | trans | -50.6 | 152.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 741 | Q | 29.5 | Very low | 29.4 | Very low | 183.667 Ų | 183.667 | 133.3 Ų | 133.3 | 86% | 0.858 | 73% | 0.726 | S | S | * | * | 167.6 | 163.7 | 52.4 | -63.2 | 173.8 | 10.9 | 0 | 0 | 111 | |||||
| 742 | A | 32.9 | Very low | 29.4 | Very low | 91.3333 Ų | 91.3333 | 130.2 Ų | 130.2 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | trans | -140.9 | 156 | 149.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 743 | S | 28 | Very low | 29.5 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | -156.4 | 152.7 | 94.4 | -32 | 0 | 0 | 0 | 0 | 114 | |||||
| 744 | T | 30 | Very low | 29.6 | Very low | 123.333 Ų | 123.333 | 133.5 Ų | 133.5 | 76% | 0.757 | 73% | 0.727 | S | S | * | * | -104.9 | 142.1 | 119.6 | -34.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 745 | V | 28.9 | Very low | 29.6 | Very low | 126.667 Ų | 126.667 | 134.3 Ų | 134.3 | 77% | 0.768 | 73% | 0.726 | S | S | * | * | trans | -129.9 | 135.8 | 138.9 | 173.8 | 0 | 0 | 0 | 0 | 108.8 | Y747 | V745-Y747 HydrophobicContact CG1-CD2 3.6Å; V745-Y747 HydrophobicContact CG1-CE2 3.52Å | ||
| 746 | T | 27.9 | Very low | 29.4 | Very low | 95.6667 Ų | 95.6667 | 137.5 Ų | 137.5 | 59% | 0.587 | 73% | 0.726 | S | S | * | * | trans | -178.8 | 148 | 144.9 | 4.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 747 | Y | 28.5 | Very low | 29.6 | Very low | 198.667 Ų | 198.667 | 133.9 Ų | 133.9 | 78% | 0.779 | 72% | 0.72 | S | S | * | * | trans | 71.2 | 145.3 | 170.1 | -51 | -61 | 0 | 0 | 0 | 116.6 | V745 | V745-Y747 HydrophobicContact CG1-CD2 3.6Å; V745-Y747 HydrophobicContact CG1-CE2 3.52Å | ||
| 748 | N | 27.8 | Very low | 29.6 | Very low | 120.667 Ų | 120.667 | 136.8 Ų | 136.8 | 65% | 0.645 | 72% | 0.723 | S | S | * | * | cis | -159.7 | 149.7 | -17.3 | -122.5 | 12.9 | 0 | 0 | 0 | 109.6 | D750 | N748-D750 PolarHBondContact ND2-OD2 2.85Š| ||
| 749 | V | 31.3 | Very low | 29.8 | Very low | 116.667 Ų | 116.667 | 134.5 Ų | 134.5 | 71% | 0.707 | 72% | 0.719 | S | S | * | * | 44.7 | 111.9 | 116.7 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 750 | D | 28.3 | Very low | 29.8 | Very low | 127.667 Ų | 127.667 | 134.3 Ų | 134.3 | 68% | 0.683 | 72% | 0.718 | S | S | * | * | -136 | 156.8 | 93 | -99 | -51 | 0 | 0 | 0 | 111.7 | N748 | N748-D750 PolarHBondContact ND2-OD2 2.85Š| |||
| 751 | L | 30 | Very low | 29.8 | Very low | 141.667 Ų | 141.667 | 137.1 Ų | 137.1 | 74% | 0.742 | 72% | 0.717 | S | S | * | * | 87.4 | 125.7 | 127.5 | -79.8 | 167.1 | 0 | 0 | 0 | 115 | |||||
| 752 | N | 30.2 | Very low | 29.9 | Very low | 132.333 Ų | 132.333 | 135.4 Ų | 135.4 | 71% | 0.708 | 71% | 0.713 | S | S | * | * | cis | -163.1 | 147.2 | 14.7 | -127.3 | -32.3 | 0 | 0 | 0 | 109.6 | ||||
| 753 | R | 30.2 | Very low | 29.7 | Very low | 205.667 Ų | 205.667 | 139.3 Ų | 139.3 | 78% | 0.776 | 72% | 0.717 | S | S | * | * | trans | -29.4 | 155.8 | 161.4 | -89.1 | 169.1 | -177.5 | 178.2 | 2.4 | 112.7 | ||||
| 754 | D | 31.3 | Very low | 30 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 67% | 0.668 | 71% | 0.71 | S | S | * | * | 176.5 | 139.1 | 65.6 | -85.8 | -35.6 | 0 | 0 | 0 | 112.5 | |||||
| 755 | L | 28.9 | Very low | 30.1 | Very low | 137.667 Ų | 137.667 | 141 Ų | 141 | 72% | 0.721 | 71% | 0.71 | S | S | * | * | 81.9 | 135.3 | 84.1 | -128.9 | 78.9 | 0 | 0 | 0 | 114.9 | |||||
| 756 | I | 29.7 | Very low | 30.1 | Very low | 133.333 Ų | 133.333 | 142.5 Ų | 142.5 | 68% | 0.684 | 71% | 0.711 | S | S | * | * | trans | 80.5 | 114.8 | 143.7 | -69.7 | 179.9 | 0 | 0 | 0 | 115.5 | ||||
| 757 | T | 31 | Very low | 30.2 | Very low | 123.667 Ų | 123.667 | 143.9 Ų | 143.9 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | 156.5 | 158.1 | 129.2 | 37.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 758 | Q | 29.1 | Very low | 30.2 | Very low | 155 Ų | 155 | 145 Ų | 145 | 72% | 0.724 | 72% | 0.717 | S | S | * | * | cis | 169.5 | 126.7 | 20.3 | -148.3 | 179.6 | 40.4 | 0 | 0 | 109.2 | ||||
| 759 | K | 31 | Very low | 30.3 | Very low | 154 Ų | 154 | 143.3 Ų | 143.3 | 67% | 0.67 | 72% | 0.72 | S | S | * | * | 104.8 | 151.8 | 89.5 | -121.8 | -172.5 | 171.9 | -151.4 | 0 | 114.3 | E761 | K759-E761 VanDerWaalsContact CE-OE1 3.24Å; K759-E761 WeakPolarHBondContact CE-OE1 3.07Å; K759-E761 IonicContact NZ-OE1 2.72Å; K759-E761 PolarHBondContact NZ-OE1 3.2Å | |||
| 760 | Q | 30.2 | Very low | 30.3 | Very low | 134 Ų | 134 | 142.9 Ų | 142.9 | 63% | 0.626 | 72% | 0.722 | S | S | * | * | 68.5 | 137.2 | 120.4 | -109.4 | 171.1 | -29.7 | 0 | 0 | 116.3 | |||||
| 761 | E | 31 | Very low | 30.4 | Very low | 141.667 Ų | 141.667 | 144.1 Ų | 144.1 | 66% | 0.662 | 73% | 0.727 | S | S | * | * | cis | 162.3 | 163.5 | 10.8 | -104.2 | 174.4 | 172.6 | 0 | 0 | 115.8 | K759 | K759-E761 VanDerWaalsContact CE-OE1 3.24Å; K759-E761 WeakPolarHBondContact CE-OE1 3.07Å; K759-E761 IonicContact NZ-OE1 2.72Å; K759-E761 PolarHBondContact NZ-OE1 3.2Å | ||
| 762 | L | 31.8 | Very low | 30.4 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | trans | 67.8 | 97.1 | 150.7 | -61.6 | 169.7 | 0 | 0 | 0 | 118 | ||||
| 763 | M | 27.9 | Very low | 30.4 | Very low | 172.667 Ų | 172.667 | 141.2 Ų | 141.2 | 85% | 0.851 | 72% | 0.724 | S | S | * | * | 30.3 | 146.7 | 85.9 | -83.6 | -130.8 | 139.5 | 0 | 0 | 115.3 | |||||
| 764 | P | 35.8 | Very low | 30.5 | Very low | 96 Ų | 96 | 139.3 Ų | 139.3 | 62% | 0.623 | 72% | 0.723 | S | S | * | * | cis | -145.9 | -173.7 | -3.4 | 39.9 | -18.5 | 0 | 0 | 0 | 116.3 | ||||
| 765 | K | 32.4 | Very low | 30.4 | Very low | 175.333 Ų | 175.333 | 140 Ų | 140 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | trans | 104.8 | 127.2 | 135.6 | -84.4 | 168 | -172.2 | 173.7 | 0 | 120.2 | ||||
| 766 | M | 27.3 | Very low | 30.4 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | trans | 68 | 144 | 134.1 | -66.7 | 170.1 | 88.3 | 0 | 0 | 118.8 | ||||
| 767 | L | 30 | Very low | 30.4 | Very low | 124.667 Ų | 124.667 | 138.1 Ų | 138.1 | 65% | 0.653 | 73% | 0.731 | S | S | * | * | cis | 178 | 133.3 | 35.4 | -147 | 153.8 | 0 | 0 | 0 | 115.1 | ||||
| 768 | R | 29.9 | Very low | 30.4 | Very low | 222.667 Ų | 222.667 | 138.6 Ų | 138.6 | 84% | 0.84 | 73% | 0.733 | S | S | * | * | trans | 30.2 | 142.4 | 134.3 | -127.8 | 172.3 | -145.8 | 140.9 | -2.6 | 117.1 | ||||
| 769 | A | 29.4 | Very low | 30.5 | Very low | 85.3333 Ų | 85.3333 | 136.3 Ų | 136.3 | 71% | 0.705 | 73% | 0.73 | S | S | * | * | trans | 50.3 | 143.4 | 132.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 770 | S | 30.5 | Very low | 30.5 | Very low | 107.333 Ų | 107.333 | 134.8 Ų | 134.8 | 75% | 0.751 | 73% | 0.734 | S | S | * | * | -134.7 | 140.9 | 118.4 | -66.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 771 | I | 31.4 | Very low | 30.5 | Very low | 153.667 Ų | 153.667 | 134.1 Ų | 134.1 | 79% | 0.788 | 74% | 0.739 | S | S | * | * | 98.8 | 133.6 | 113.8 | -69.1 | 161.6 | 0 | 0 | 0 | 114.4 | |||||
| 772 | T | 30.5 | Very low | 30.5 | Very low | 120 Ų | 120 | 133 Ų | 133 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | trans | 67.8 | 143.3 | 158.2 | -24.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 773 | S | 29.3 | Very low | 30.4 | Very low | 92.6667 Ų | 92.6667 | 131.8 Ų | 131.8 | 65% | 0.648 | 74% | 0.741 | S | S | * | * | trans | 91.6 | 140.1 | 145 | 71.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 774 | Q | 32.9 | Very low | 30.4 | Very low | 164.667 Ų | 164.667 | 128.5 Ų | 128.5 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | trans | 118.1 | 113.9 | 136.5 | -81.9 | 164.9 | 44.2 | 0 | 0 | 116.8 | ||||
| 775 | I | 28.6 | Very low | 30.2 | Very low | 141.667 Ų | 141.667 | 134.1 Ų | 134.1 | 73% | 0.726 | 74% | 0.741 | S | S | * | * | 59.5 | 112.4 | 111.5 | -54.7 | 169.1 | 0 | 0 | 0 | 115.5 | T777 | I775-T777 HydrophobicContact CG2-CG2 4.01Š| |||
| 776 | S | 29.6 | Very low | 30 | Very low | 107.667 Ų | 107.667 | 131.3 Ų | 131.3 | 75% | 0.753 | 74% | 0.739 | S | S | * | * | 175.7 | 128.3 | 113.9 | -66.1 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 777 | T | 29.7 | Very low | 30 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | -163.6 | 139.6 | 123.6 | 45.2 | 0 | 0 | 0 | 0 | 114.5 | I775 | I775-T777 HydrophobicContact CG2-CG2 4.01Š| |||
| 778 | V | 31 | Very low | 30 | Very low | 134 Ų | 134 | 129.2 Ų | 129.2 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | -159.4 | 137.1 | 110.8 | 178 | 0 | 0 | 0 | 0 | 113 | |||||
| 779 | T | 29.6 | Very low | 30 | Very low | 106.667 Ų | 106.667 | 123.1 Ų | 123.1 | 65% | 0.654 | 73% | 0.732 | S | S | * | * | trans | 112 | 118.9 | 158.9 | -24.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 780 | T | 31.1 | Very low | 30.1 | Very low | 123.667 Ų | 123.667 | 126.4 Ų | 126.4 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | trans | 163.4 | 111.8 | 140.1 | 39.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 781 | T | 31.5 | Very low | 30.1 | Very low | 118.667 Ų | 118.667 | 126 Ų | 126 | 73% | 0.728 | 74% | 0.74 | S | S | * | * | 95.3 | 121.3 | 98.1 | 50.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 782 | T | 30.5 | Very low | 30 | Very low | 118 Ų | 118 | 124.1 Ų | 124.1 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | 78.2 | 106.5 | 80.1 | -22.3 | 0 | 0 | 0 | 0 | 117.2 | T784 | T782-T784 HydrophobicContact CG2-CG2 3.93Š| |||
| 783 | T | 30.3 | Very low | 30.1 | Very low | 123.333 Ų | 123.333 | 124 Ų | 124 | 76% | 0.757 | 74% | 0.74 | S | S | * | * | trans | -174.9 | 131.4 | 138.5 | -23.4 | 0 | 0 | 0 | 0 | 113.9 | Y785 | T783-Y785 HydrophobicContact CG2-CE2 4.07Š| ||
| 784 | T | 27.6 | Very low | 30.2 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 64% | 0.638 | 74% | 0.742 | S | S | * | * | trans | -170.3 | 138.1 | 167.2 | 40.5 | 0 | 0 | 0 | 0 | 115.9 | T782 | T782-T784 HydrophobicContact CG2-CG2 3.93Š| ||
| 785 | Y | 30.7 | Very low | 30.1 | Very low | 212.333 Ų | 212.333 | 126 Ų | 126 | 83% | 0.833 | 74% | 0.741 | S | S | * | * | trans | -173.3 | 113.1 | 155 | -67.7 | -63.7 | 0 | 0 | 0 | 113.4 | T783 | T783-Y785 HydrophobicContact CG2-CE2 4.07Š| ||
| 786 | T | 28.5 | Very low | 30.2 | Very low | 116.333 Ų | 116.333 | 127.2 Ų | 127.2 | 71% | 0.714 | 74% | 0.744 | S | S | * | * | trans | 51.4 | 123 | 132 | 56.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 787 | T | 28.1 | Very low | 30.3 | Very low | 105.333 Ų | 105.333 | 126.8 Ų | 126.8 | 65% | 0.646 | 74% | 0.741 | S | S | * | * | 78.9 | 129.5 | 99.9 | 31.4 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 788 | T | 29.8 | Very low | 30.6 | Very low | 133 Ų | 133 | 128 Ų | 128 | 82% | 0.816 | 74% | 0.742 | S | S | * | * | -179.9 | 161.6 | 114.2 | 25.9 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 789 | S | 29.8 | Very low | 30.7 | Very low | 94.6667 Ų | 94.6667 | 133 Ų | 133 | 66% | 0.662 | 75% | 0.747 | S | S | * | * | trans | -173.9 | 162.7 | -146.1 | 64.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 790 | N | 31.6 | Very low | 30.9 | Very low | 154.333 Ų | 154.333 | 134.8 Ų | 134.8 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | trans | 73.7 | 121.8 | 163.1 | -53.6 | -15.9 | 0 | 0 | 0 | 117.7 | S792 | N790-S792 PolarHBondContact O-N 3.25Š| ||
| 791 | A | 30.5 | Very low | 31.1 | Very low | 98.3333 Ų | 98.3333 | 136.9 Ų | 136.9 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | -122.4 | 101.1 | 147.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 792 | S | 29.6 | Very low | 31.3 | Very low | 114.667 Ų | 114.667 | 138.9 Ų | 138.9 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | trans | -87.6 | 136.8 | 158.7 | 59.4 | 0 | 0 | 0 | 0 | 114.4 | N790 N794 | N790-S792 PolarHBondContact O-N 3.25Å; S792-N794 PolarHBondContact O-N 3.5Å | ||
| 793 | V | 32.3 | Very low | 31.4 | Very low | 118.667 Ų | 118.667 | 138.8 Ų | 138.8 | 72% | 0.719 | 76% | 0.756 | S | S | * | * | trans | -89.6 | 103.6 | 173.3 | -172 | 0 | 0 | 0 | 0 | 111.9 | F795 | V793-F795 HydrophobicContact CG1-CD2 4.31Å; V793-F795 HydrophobicContact CG1-CE2 3.94Å; V793-F795 HydrophobicContact CG1-CZ 4.47Å; V793-F795 PolarHBondContact O-N 2.91Å; V793-F795 VanDerWaalsContact O-N 3.16Å | ||
| 794 | N | 31.7 | Very low | 31.5 | Very low | 128.333 Ų | 128.333 | 137.1 Ų | 137.1 | 69% | 0.686 | 75% | 0.754 | S | S | * | * | trans | -56.3 | 109.4 | 167.6 | 179.6 | 9.9 | 0 | 0 | 0 | 113.3 | S792 Q796 S797 | S792-N794 PolarHBondContact O-N 3.5Å; N794-Q796 PolarHBondContact O-N 2.74Å; N794-Q796 VanDerWaalsContact OD1-CB 3.25Å; N794-Q796 WeakPolarHBondContact OD1-CB 3.36Å; N794-Q796 PolarHBondContact OD1-N 2.9Å; N794-Q796 VanDerWaalsContact OD1-N 3.1Å; N794-S797 PolarHBondContact O-OG 3.33Å | ||
| 795 | F | 29.6 | Very low | 31.7 | Very low | 170.667 Ų | 170.667 | 141.8 Ų | 141.8 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | -103 | 15.9 | 166.5 | -95.3 | -80.4 | 0 | 0 | 0 | 114.6 | V793 S797 L798 | V793-F795 HydrophobicContact CG1-CD2 4.31Å; V793-F795 HydrophobicContact CG1-CE2 3.94Å; V793-F795 HydrophobicContact CG1-CZ 4.47Å; V793-F795 PolarHBondContact O-N 2.91Å; V793-F795 VanDerWaalsContact O-N 3.16Å; F795-S797 VanDerWaalsContact C-N 3.31Å; F795-S797 PolarHBondContact O-N 3.05Å; F795-S797 VanDerWaalsContact O-N 3.07Å; F795-L798 PolarHBondContact O-N 3.12Å | ||
| 796 | Q | 32 | Very low | 31.9 | Very low | 166.667 Ų | 166.667 | 140.3 Ų | 140.3 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 58.7 | -175 | -154.9 | 69.2 | 15.3 | 0 | 0 | 113.8 | N794 | N794-Q796 PolarHBondContact O-N 2.74Å; N794-Q796 VanDerWaalsContact OD1-CB 3.25Å; N794-Q796 WeakPolarHBondContact OD1-CB 3.36Å; N794-Q796 PolarHBondContact OD1-N 2.9Å; N794-Q796 VanDerWaalsContact OD1-N 3.1Å |
| 797 | S | 31.4 | Very low | 32.1 | Very low | 100 Ų | 100 | 139.9 Ų | 139.9 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -160.2 | 41.9 | 175.2 | 69 | 0 | 0 | 0 | 0 | 116.9 | N794 F795 | N794-S797 PolarHBondContact O-OG 3.33Å; F795-S797 VanDerWaalsContact C-N 3.31Å; F795-S797 PolarHBondContact O-N 3.05Å; F795-S797 VanDerWaalsContact O-N 3.07Å |
| 798 | L | 34.3 | Very low | 32.3 | Very low | 147.333 Ų | 147.333 | 141 Ų | 141 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -132.2 | 31 | 164.6 | -122.4 | 140.3 | 0 | 0 | 0 | 113.7 | F795 | F795-L798 PolarHBondContact O-N 3.12Š|
| 799 | W | 34.1 | Very low | 32.4 | Very low | 238.667 Ų | 238.667 | 140.9 Ų | 140.9 | 90% | 0.904 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -127.6 | 7.1 | 171.2 | -87.6 | 91.1 | 0 | 0 | 0 | 113.1 | Q801 | W799-Q801 VanDerWaalsContact C-N 3.3Å; W799-Q801 PolarHBondContact O-N 2.89Å |
| 800 | D | 34.4 | Very low | 32.4 | Very low | 143 Ų | 143 | 147.6 Ų | 147.6 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | trans | -81.6 | 78.1 | 175.9 | -75.1 | -54.7 | 0 | 0 | 0 | 113.3 | ||||
| 801 | Q | 35.5 | Very low | 32.5 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | -148.2 | 128.4 | 126.7 | -86.8 | -174.7 | 17.7 | 0 | 0 | 114.8 | W799 | W799-Q801 VanDerWaalsContact C-N 3.3Å; W799-Q801 PolarHBondContact O-N 2.89Å | |||
| 802 | K | 34.8 | Very low | 32.6 | Very low | 161.25 Ų | 161.25 | 147.7 Ų | 147.7 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | trans | 141.6 | 88 | 167.5 | -68.8 | 172.6 | -179.5 | 173.7 | 0 | 114.9 | A804 | K802-A804 PolarHBondContact O-N 3.45Š| ||
| 803 | S | 33.1 | Very low | 32.8 | Very low | 116.75 Ų | 116.75 | 149.5 Ų | 149.5 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | 59.8 | 95.1 | 104.9 | 21.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 804 | A | 33 | Very low | 32.7 | Very low | 87 Ų | 87 | 148.1 Ų | 148.1 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | trans | -148.8 | 98 | 150.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K802 K806 | K802-A804 PolarHBondContact O-N 3.45Å; A804-K806 PolarHBondContact O-N 2.9Å | ||
| 805 | F | 31.6 | Very low | 32.8 | Very low | 202 Ų | 202 | 145.9 Ų | 145.9 | 89% | 0.886 | 76% | 0.764 | S | S | * | * | trans | -119.4 | 129.2 | 139.9 | -86.7 | -91.8 | 0 | 0 | 0 | 113.2 | ||||
| 806 | K | 33.6 | Very low | 33 | Very low | 181.75 Ų | 181.75 | 146.1 Ų | 146.1 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | -146.5 | 126.3 | 175.7 | -96.5 | -174.4 | 177.5 | 176.9 | 0 | 111.7 | A804 | A804-K806 PolarHBondContact O-N 2.9Š| ||
| 807 | P | 34.4 | Very low | 33 | Very low | 107.75 Ų | 107.75 | 144.8 Ų | 144.8 | 70% | 0.7 | 76% | 0.763 | S | S | * | * | trans | -123 | 129.3 | 148.6 | 38.3 | -26 | 0 | 0 | 0 | 114.4 | ||||
| 808 | V | 31.1 | Very low | 33 | Very low | 128.25 Ų | 128.25 | 150 Ų | 150 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -151.3 | 93.9 | 155.8 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | R810 S811 | V808-R810 VanDerWaalsContact C-N 3.33Å; V808-R810 PolarHBondContact O-N 2.88Å; V808-S811 PolarHBondContact O-N 2.87Å |
| 809 | I | 32 | Very low | 32.9 | Very low | 131.75 Ų | 131.75 | 151.4 Ų | 151.4 | 68% | 0.676 | 77% | 0.768 | S | S | * | * | trans | 123.6 | 118.7 | 154.5 | -62.4 | 173.2 | 0 | 0 | 0 | 113.7 | S811 L812 | I809-S811 PolarHBondContact O-N 3.32Å; I809-L812 PolarHBondContact O-N 2.81Å; I809-L812 VanDerWaalsContact O-N 3.11Å | ||
| 810 | R | 30.6 | Very low | 32.7 | Very low | 233.5 Ų | 233.5 | 149.4 Ų | 149.4 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | trans | -132.9 | 114.5 | 176.3 | -74 | -177.9 | -178 | 163 | 0.9 | 113.1 | V808 | V808-R810 VanDerWaalsContact C-N 3.33Å; V808-R810 PolarHBondContact O-N 2.88Å | ||
| 811 | S | 32.7 | Very low | 32.5 | Very low | 106.75 Ų | 106.75 | 146.9 Ų | 146.9 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | trans | -169.1 | 44.3 | 170.5 | 37.7 | 0 | 0 | 0 | 0 | 115.2 | V808 I809 | V808-S811 PolarHBondContact O-N 2.87Å; I809-S811 PolarHBondContact O-N 3.32Å | ||
| 812 | L | 33 | Very low | 32.3 | Very low | 149.75 Ų | 149.75 | 145 Ų | 145 | 78% | 0.784 | 76% | 0.755 | S | S | * | * | trans | -129.2 | 62.8 | 158.7 | -157.1 | 68.1 | 0 | 0 | 0 | 115.2 | I809 A815 | I809-L812 PolarHBondContact O-N 2.81Å; I809-L812 VanDerWaalsContact O-N 3.11Å; L812-A815 PolarHBondContact O-N 3.3Å | ||
| 813 | E | 32.8 | Very low | 32.1 | Very low | 152.25 Ų | 152.25 | 143.1 Ų | 143.1 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | trans | -79.4 | 100.9 | 157.1 | -147.3 | 139.9 | -142.1 | 0 | 0 | 114 | A815 K816 | E813-A815 PolarHBondContact O-N 2.87Å; E813-K816 PolarHBondContact O-N 3.18Å; E813-K816 VanDerWaalsContact O-N 3.08Å; E813-K816 IonicContact OE1-NZ 3.24Å; E813-K816 PolarHBondContact OE1-NZ 2.78Å | ||
| 814 | A | 31.9 | Very low | 31.9 | Very low | 88.5 Ų | 88.5 | 142.2 Ų | 142.2 | 73% | 0.731 | 74% | 0.742 | S | S | * | * | trans | -158.1 | 55.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 815 | A | 32.8 | Very low | 31.7 | Very low | 82.5 Ų | 82.5 | 143.9 Ų | 143.9 | 68% | 0.682 | 74% | 0.738 | S | S | * | * | trans | -122.5 | 17.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | L812 E813 | L812-A815 PolarHBondContact O-N 3.3Å; E813-A815 PolarHBondContact O-N 2.87Å | ||
| 816 | K | 33.9 | Very low | 31.5 | Very low | 174.25 Ų | 174.25 | 142.5 Ų | 142.5 | 76% | 0.758 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -106.5 | 73.5 | 159.6 | -83.8 | -174.6 | 176.1 | -179.3 | 0 | 115.5 | E813 R818 | E813-K816 PolarHBondContact O-N 3.18Å; E813-K816 VanDerWaalsContact O-N 3.08Å; E813-K816 IonicContact OE1-NZ 3.24Å; E813-K816 PolarHBondContact OE1-NZ 2.78Å; K816-R818 PolarHBondContact O-N 3.12Å |
| 817 | D | 31.3 | Very low | 31.4 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -8 | 74.1 | 171.1 | -62.1 | -18 | 0 | 0 | 0 | 115.2 | ||
| 818 | R | 32.8 | Very low | 31.1 | Very low | 209.5 Ų | 209.5 | 138.7 Ų | 138.7 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | trans | -160.2 | 95.4 | 146.7 | -104.9 | 165.5 | -169.8 | -161.6 | 1.4 | 114.3 | K816 | K816-R818 PolarHBondContact O-N 3.12Š| ||
| 819 | F | 31.4 | Very low | 31 | Very low | 176.75 Ų | 176.75 | 140.9 Ų | 140.9 | 78% | 0.775 | 72% | 0.724 | S | S | * | * | trans | 142.4 | 113.5 | 167.1 | -62.8 | -76 | 0 | 0 | 0 | 112.4 | ||||
| 820 | F | 31 | Very low | 30.9 | Very low | 196.25 Ų | 196.25 | 140.1 Ų | 140.1 | 86% | 0.861 | 73% | 0.73 | S | S | * | * | 72.8 | 108.1 | 72.7 | -79.8 | -69.6 | 0 | 0 | 0 | 112.5 | |||||
| 821 | S | 30.3 | Very low | 30.9 | Very low | 91.75 Ų | 91.75 | 137 Ų | 137 | 64% | 0.642 | 73% | 0.725 | S | S | * | * | trans | 174.2 | 125.5 | 157.5 | -39.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 822 | N | 31.3 | Very low | 30.6 | Very low | 128.75 Ų | 128.75 | 138.4 Ų | 138.4 | 69% | 0.689 | 73% | 0.729 | S | S | * | * | trans | 63 | 117.5 | 143 | -55.4 | -9.8 | 0 | 0 | 0 | 116 | I1490 | N822-I1490 HydrophobicContact CB-CB 4.12Å; N822-I1490 HydrophobicContact CB-CD1 4.37Å; N822-I1490 HydrophobicContact CB-CG2 3.61Å | ||
| 823 | N | 28.9 | Very low | 30.4 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 65% | 0.647 | 73% | 0.729 | S | S | * | * | 78.9 | 133 | 80.7 | -62.7 | 4.1 | 0 | 0 | 0 | 116.8 | N1486 L1487 I1490 | N823-N1486 PolarHBondContact ND2-O 3.33Å; N823-N1486 VanDerWaalsContact ND2-O 3.14Å; N823-L1487 CarbonylContact C-O 3.44Å; N823-L1487 HydrophobicContact CB-CB 3.92Å; N823-L1487 HydrophobicContact CB-CD1 4.38Å; N823-L1487 HydrophobicContact CB-CG 3.63Å; N823-L1487 WeakPolarHBondContact CB-O 3.45Å; N823-I1490 HydrophobicContact CB-CB 4.46Å | |||
| 824 | T | 28.8 | Very low | 30.2 | Very low | 96.25 Ų | 96.25 | 140.6 Ų | 140.6 | 59% | 0.59 | 73% | 0.732 | S | S | * | * | trans | 64 | 133.6 | 146.4 | 55.7 | 0 | 0 | 0 | 0 | 115.2 | D1325 F1484 L1487 E1488 | T824-D1325 WeakPolarHBondContact CG2-OD2 3.36Å; T824-F1484 WeakPolarHBondContact CG2-O 3.1Å; T824-L1487 HydrophobicContact CG2-CB 3.43Å; T824-L1487 VanDerWaalsContact CG2-CB 3.43Å; T824-L1487 PolarHBondContact OG1-O 3.32Å; T824-E1488 HydrophobicContact CG2-CB 3.83Å; T824-E1488 HydrophobicContact CG2-CG 4.01Å; T824-E1488 WeakPolarHBondContact OG1-CA 3.38Å; T824-E1488 PolarHBondContact OG1-N 2.87Å | ||
| 825 | L | 29.7 | Very low | 30 | Very low | 123.5 Ų | 123.5 | 142.3 Ų | 142.3 | 65% | 0.647 | 73% | 0.734 | S | S | * | * | 179.3 | 155.4 | 71 | -95.4 | 166 | 0 | 0 | 0 | 114.4 | P827 D1325 E1488 | L825-P827 HydrophobicContact CD1-CG 4.44Å; L825-D1325 VanDerWaalsContact CD1-C 3.48Å; L825-D1325 HydrophobicContact CD1-CB 3.79Å; L825-D1325 WeakPolarHBondContact CD1-OD2 3.41Å; L825-D1325 HydrophobicContact CD2-CB 3.73Å; L825-D1325 WeakPolarHBondContact CD2-O 3.04Å; L825-D1325 HydrophobicContact CG-CB 3.72Å; L825-D1325 WeakPolarHBondContact CG-OD2 3.32Å; L825-E1488 HydrophobicContact CD2-CG 3.94Å | |||
| 826 | F | 28.2 | Very low | 29.7 | Very low | 173.25 Ų | 173.25 | 145 Ų | 145 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | trans | -104 | 148.5 | 152.6 | -90.2 | -94 | 0 | 0 | 0 | 110.1 | T828 F1484 | F826-T828 VanDerWaalsContact CD1-OG1 3.27Å; F826-T828 WeakPolarHBondContact CD1-OG1 3.16Å; F826-F1484 HydrophobicContact CB-CE1 3.59Å; F826-F1484 HydrophobicContact CB-CZ 4.12Å; F826-F1484 HydrophobicContact CD1-CE1 4.07Å; F826-F1484 AromaticContact CD1-CZ 3.71Å; F826-F1484 HydrophobicContact CD1-CZ 3.71Å; F826-F1484 HydrophobicContact CD2-CD1 4.26Å; F826-F1484 AromaticContact CD2-CE1 3.44Å; F826-F1484 HydrophobicContact CD2-CE1 3.44Å; F826-F1484 VanDerWaalsContact CD2-CE1 3.44Å; F826-F1484 AromaticContact CD2-CE2 3.95Å; F826-F1484 HydrophobicContact CD2-CE2 3.95Å; F826-F1484 AromaticContact CD2-CZ 3.25Å; F826-F1484 HydrophobicContact CD2-CZ 3.25Å; F826-F1484 AromaticContact CE1-CZ 3.81Å; F826-F1484 HydrophobicContact CE1-CZ 3.81Å; F826-F1484 HydrophobicContact CE2-CE1 4.05Å; F826-F1484 AromaticContact CE2-CE2 3.69Å; F826-F1484 HydrophobicContact CE2-CE2 3.69Å; F826-F1484 AromaticContact CE2-CZ 3.36Å; F826-F1484 HydrophobicContact CE2-CZ 3.36Å; F826-F1484 AromaticContact CG-CE1 3.44Å; F826-F1484 HydrophobicContact CG-CE1 3.44Å; F826-F1484 VanDerWaalsContact CG-CE1 3.44Å; F826-F1484 AromaticContact CG-CZ 3.43Å; F826-F1484 HydrophobicContact CG-CZ 3.43Å; F826-F1484 VanDerWaalsContact CG-CZ 3.43Å; F826-F1484 HydrophobicContact CZ-CE2 4.04Å; F826-F1484 AromaticContact CZ-CZ 3.64Å; F826-F1484 HydrophobicContact CZ-CZ 3.64Å | ||
| 827 | P | 30.7 | Very low | 29.5 | Very low | 99.5 Ų | 99.5 | 139.7 Ų | 139.7 | 65% | 0.646 | 74% | 0.737 | S | S | * | * | -120 | 143.1 | 124.1 | 22.9 | -12.8 | 0 | 0 | 0 | 113.2 | L825 F829 D1326 | L825-P827 HydrophobicContact CD1-CG 4.44Å; P827-F829 HydrophobicContact CB-CD2 4.05Å; P827-F829 HydrophobicContact CB-CE2 4.44Å; P827-F829 PolarHBondContact O-N 3.44Å; P827-D1326 WeakPolarHBondContact CA-OD1 3.37Å; P827-D1326 WeakPolarHBondContact CB-OD1 3.18Å; P827-D1326 WeakPolarHBondContact CG-OD1 3.37Å | |||
| 828 | T | 28.4 | Very low | 29.5 | Very low | 109.5 Ų | 109.5 | 140.7 Ų | 140.7 | 67% | 0.672 | 74% | 0.737 | S | S | * | * | trans | -58.2 | 116.5 | 150.6 | -54 | 0 | 0 | 0 | 0 | 110.8 | F826 | F826-T828 VanDerWaalsContact CD1-OG1 3.27Å; F826-T828 WeakPolarHBondContact CD1-OG1 3.16Å | ||
| 829 | F | 28.9 | Very low | 29.4 | Very low | 174.75 Ų | 174.75 | 135.6 Ų | 135.6 | 77% | 0.766 | 73% | 0.733 | S | S | * | * | trans | -149.8 | 101.8 | 152.7 | -109.8 | -74.6 | 0 | 0 | 0 | 113.1 | P827 Q831 | P827-F829 HydrophobicContact CB-CD2 4.05Å; P827-F829 HydrophobicContact CB-CE2 4.44Å; P827-F829 PolarHBondContact O-N 3.44Å; F829-Q831 VanDerWaalsContact C-N 3.3Å; F829-Q831 HydrophobicContact CD1-CB 4.34Å; F829-Q831 WeakPolarHBondContact CE1-O 3.36Å; F829-Q831 PolarHBondContact O-N 2.92Å; F829-Q831 VanDerWaalsContact O-N 3.12Å | ||
| 830 | S | 28.8 | Very low | 29.4 | Very low | 114.5 Ų | 114.5 | 133.6 Ų | 133.6 | 80% | 0.801 | 73% | 0.731 | S | S | * | * | trans | -86.8 | 107 | 158 | -70.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 831 | Q | 30.6 | Very low | 29.7 | Very low | 169.5 Ų | 169.5 | 130 Ų | 130 | 79% | 0.792 | 72% | 0.72 | S | S | * | * | trans | -166.8 | 128.8 | 158.9 | -93.6 | -179.9 | 47.2 | 0 | 0 | 114.4 | F829 K833 | F829-Q831 VanDerWaalsContact C-N 3.3Å; F829-Q831 HydrophobicContact CD1-CB 4.34Å; F829-Q831 WeakPolarHBondContact CE1-O 3.36Å; F829-Q831 PolarHBondContact O-N 2.92Å; F829-Q831 VanDerWaalsContact O-N 3.12Å; Q831-K833 PolarHBondContact O-N 3.49Å | ||
| 832 | V | 28 | Very low | 29.8 | Very low | 135.5 Ų | 135.5 | 133.8 Ų | 133.8 | 82% | 0.821 | 73% | 0.725 | S | S | * | * | trans | -96.7 | 109.9 | 164.5 | -179.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 833 | K | 27.6 | Very low | 29.9 | Very low | 179.5 Ų | 179.5 | 133.9 Ų | 133.9 | 78% | 0.78 | 73% | 0.731 | S | S | * | * | trans | -161.9 | 113.1 | 148.3 | -125.2 | 169 | -179.9 | 177.9 | 0 | 113.6 | Q831 | Q831-K833 PolarHBondContact O-N 3.49Š| ||
| 834 | Q | 29 | Very low | 30 | Very low | 168 Ų | 168 | 139 Ų | 139 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | 117 | 114.8 | 143.7 | -86.2 | 168.5 | -5.4 | 0 | 0 | 114 | ||||
| 835 | T | 27.3 | Very low | 30 | Very low | 125 Ų | 125 | 141.3 Ų | 141.3 | 77% | 0.767 | 75% | 0.748 | S | S | * | * | 68.5 | 119.5 | 98.9 | 33.6 | 0 | 0 | 0 | 0 | 117.4 | G837 | T835-G837 PolarHBondContact O-N 3.2Š| |||
| 836 | V | 27.2 | Very low | 30.1 | Very low | 139.5 Ų | 139.5 | 142.5 Ų | 142.5 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | -5.5 | 125.7 | 147.6 | -179.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 837 | G | 29.6 | Very low | 30.3 | Very low | 63.25 Ų | 63.25 | 139.6 Ų | 139.6 | 65% | 0.652 | 75% | 0.75 | S | S | * | * | 178.7 | 117.9 | 84.4 | 0 | 0 | 0 | 0 | 0 | 113 | T835 | T835-G837 PolarHBondContact O-N 3.2Š| |||
| 838 | Q | 30.1 | Very low | 30.4 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | trans | 48 | 126.7 | 165.7 | -57.4 | 170 | 2.4 | 0 | 0 | 118.5 | N840 N1519 | Q838-N840 PolarHBondContact OE1-ND2 3.25Å; Q838-N1519 WeakPolarHBondContact CB-OD1 3.45Å; Q838-N1519 WeakPolarHBondContact CG-OD1 3.49Å; Q838-N1519 PolarHBondContact OE1-OD1 2.97Å | ||
| 839 | S | 30.6 | Very low | 30.6 | Very low | 102.5 Ų | 102.5 | 143.3 Ų | 143.3 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | trans | 139.4 | 124 | 143.2 | 90.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 840 | N | 32.8 | Very low | 30.8 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | -96 | 150.8 | 138.6 | -67.4 | -42.6 | 0 | 0 | 0 | 114.7 | Q838 | Q838-N840 PolarHBondContact OE1-ND2 3.25Š| ||
| 841 | D | 36.6 | Very low | 31.1 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 64% | 0.642 | 75% | 0.752 | S | S | * | * | trans | 53 | 139.8 | 138 | -84.2 | -51.2 | 0 | 0 | 0 | 118.4 | ||||
| 842 | K | 32.2 | Very low | 31.3 | Very low | 171.25 Ų | 171.25 | 139.2 Ų | 139.2 | 75% | 0.745 | 75% | 0.747 | S | S | * | * | 29.7 | 121.2 | 92.5 | -70.6 | 157.7 | -169.9 | 133 | 0 | 114.1 | |||||
| 843 | T | 33.5 | Very low | 31.6 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | 177.8 | 130.9 | 134.7 | 20.8 | 0 | 0 | 0 | 0 | 113.9 | I845 | T843-I845 HydrophobicContact CG2-CD1 4.28Š| ||
| 844 | R | 30.6 | Very low | 31.7 | Very low | 228.75 Ų | 228.75 | 138.8 Ų | 138.8 | 86% | 0.863 | 74% | 0.741 | S | S | * | * | 26.2 | 119.5 | 79.7 | -162.9 | -176.1 | -160.4 | -165.5 | 4.8 | 114.1 | |||||
| 845 | I | 30.1 | Very low | 31.9 | Very low | 142.5 Ų | 142.5 | 138 Ų | 138 | 73% | 0.731 | 74% | 0.737 | S | S | * | * | trans | 120.5 | 117.3 | 165.1 | -63.7 | 154.8 | 0 | 0 | 0 | 110.2 | T843 V847 | T843-I845 HydrophobicContact CG2-CD1 4.28Å; I845-V847 HydrophobicContact CG2-CG2 3.45Å; I845-V847 VanDerWaalsContact CG2-CG2 3.45Å | ||
| 846 | I | 32.2 | Very low | 32 | Very low | 149.25 Ų | 149.25 | 138.4 Ų | 138.4 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | 148.5 | 124.5 | 94.9 | -65.7 | 170.9 | 0 | 0 | 0 | 109.8 | |||||
| 847 | V | 32 | Very low | 32.2 | Very low | 113.25 Ų | 113.25 | 138.8 Ų | 138.8 | 69% | 0.686 | 73% | 0.73 | S | S | * | * | trans | -149.2 | 128 | 159 | 162.1 | 0 | 0 | 0 | 0 | 109.9 | I845 | I845-V847 HydrophobicContact CG2-CG2 3.45Å; I845-V847 VanDerWaalsContact CG2-CG2 3.45Å | ||
| 848 | N | 32.4 | Very low | 32.2 | Very low | 140.5 Ų | 140.5 | 140.9 Ų | 140.9 | 75% | 0.751 | 73% | 0.734 | S | S | * | * | trans | -83.5 | 134.7 | 147.7 | -68.8 | -22.2 | 0 | 0 | 0 | 113.7 | ||||
| 849 | N | 31.9 | Very low | 32.2 | Very low | 144.75 Ų | 144.75 | 138.7 Ų | 138.7 | 77% | 0.774 | 74% | 0.737 | S | S | * | * | 127.3 | 131.8 | 125.8 | -72.9 | -28.8 | 0 | 0 | 0 | 113.4 | |||||
| 850 | A | 33.9 | Very low | 32.2 | Very low | 86.75 Ų | 86.75 | 138.2 Ų | 138.2 | 72% | 0.717 | 73% | 0.733 | S | S | * | * | 104.5 | 152.6 | 93.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 851 | D | 35 | Very low | 32.1 | Very low | 127.75 Ų | 127.75 | 139.4 Ų | 139.4 | 68% | 0.683 | 74% | 0.737 | S | S | * | * | 132.8 | 145.7 | 86.6 | -110.8 | 4 | 0 | 0 | 0 | 114.5 | |||||
| 852 | K | 35.2 | Very low | 31.7 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | cis | -152.5 | 144.9 | 32.6 | -100.6 | 166.1 | -168.4 | 105.8 | 0 | 109.2 | ||||
| 853 | K | 34.7 | Very low | 31.6 | Very low | 180.75 Ų | 180.75 | 144.3 Ų | 144.3 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | trans | 78.2 | 135.3 | 137.8 | -70.7 | 176.4 | -178 | -178 | 0 | 114.8 | ||||
| 854 | N | 29.4 | Very low | 31.4 | Very low | 126.5 Ų | 126.5 | 145.2 Ų | 145.2 | 68% | 0.676 | 75% | 0.745 | S | S | * | * | cis | 131.4 | 156.6 | 25 | -104.1 | 24.4 | 0 | 0 | 0 | 112.3 | ||||
| 855 | E | 33.2 | Very low | 31.7 | Very low | 151.25 Ų | 151.25 | 139.3 Ų | 139.3 | 71% | 0.707 | 74% | 0.737 | S | S | * | * | trans | 74 | 144.7 | 134.4 | -68.9 | 158.2 | -140.3 | 0 | 0 | 115.4 | ||||
| 856 | N | 30 | Very low | 31.7 | Very low | 133.25 Ų | 133.25 | 138.9 Ų | 138.9 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | cis | 130.4 | 157.2 | 23.6 | -92.2 | -25.9 | 0 | 0 | 0 | 112.2 | ||||
| 857 | I | 31.4 | Very low | 31.6 | Very low | 147.75 Ų | 147.75 | 138.5 Ų | 138.5 | 76% | 0.758 | 74% | 0.735 | S | S | * | * | trans | 49.1 | 120.5 | 162.7 | -40 | 165.7 | 0 | 0 | 0 | 113.7 | ||||
| 858 | S | 28.3 | Very low | 31.5 | Very low | 106.5 Ų | 106.5 | 140.3 Ų | 140.3 | 75% | 0.745 | 74% | 0.74 | S | S | * | * | cis | 133.6 | 138.8 | 45.1 | -161 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 859 | S | 31.1 | Very low | 31.5 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | trans | 98.1 | 150.8 | 164.5 | -58.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 860 | S | 30.4 | Very low | 31.5 | Very low | 91.25 Ų | 91.25 | 138.3 Ų | 138.3 | 64% | 0.638 | 73% | 0.73 | S | S | * | * | cis | -167.3 | 149.7 | -5.1 | -167.2 | 0 | 0 | 0 | 0 | 111.4 | R862 | S860-R862 PolarHBondContact OG-NE 3.03Š| ||
| 861 | M | 29.5 | Very low | 31.4 | Very low | 160.75 Ų | 160.75 | 140.4 Ų | 140.4 | 79% | 0.792 | 73% | 0.729 | S | S | * | * | trans | 38 | 121.4 | 160.4 | -72.9 | 173.6 | -98.6 | 0 | 0 | 113.4 | ||||
| 862 | R | 29.6 | Very low | 31.3 | Very low | 210.75 Ų | 210.75 | 141.1 Ų | 141.1 | 80% | 0.795 | 73% | 0.733 | S | S | * | * | 78.5 | 132.7 | 79.7 | -65.7 | -175.9 | -169.5 | -176.4 | 3.7 | 112 | S860 | S860-R862 PolarHBondContact OG-NE 3.03Š| |||
| 863 | F | 29.8 | Very low | 31.2 | Very low | 183.25 Ų | 183.25 | 141.9 Ų | 141.9 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | -128.3 | 165 | 72.8 | -83.2 | -92.2 | 0 | 0 | 0 | 111.6 | |||||
| 864 | I | 29.8 | Very low | 31.1 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | trans | 153.6 | 148.4 | 148.5 | -22.2 | 176.3 | 0 | 0 | 0 | 109.7 | ||||
| 865 | P | 34.9 | Very low | 31.2 | Very low | 106 Ų | 106 | 139 Ų | 139 | 69% | 0.688 | 73% | 0.734 | S | S | * | * | trans | -140.1 | -162.7 | 161 | 39.7 | -20.5 | 0 | 0 | 0 | 114.1 | ||||
| 866 | N | 30.6 | Very low | 31 | Very low | 133.5 Ų | 133.5 | 137 Ų | 137 | 71% | 0.714 | 74% | 0.737 | S | S | * | * | trans | 96.3 | 126.9 | 157.6 | -63.7 | -6.2 | 0 | 0 | 0 | 113.3 | ||||
| 867 | D | 30.9 | Very low | 31 | Very low | 141.75 Ų | 141.75 | 140.1 Ų | 140.1 | 76% | 0.758 | 74% | 0.744 | S | S | * | * | 71.7 | 140 | 103.1 | -71.3 | -39.7 | 0 | 0 | 0 | 115.8 | |||||
| 868 | L | 30.6 | Very low | 30.9 | Very low | 149.5 Ų | 149.5 | 140.5 Ų | 140.5 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | -164.6 | 142.1 | 134.9 | -96.3 | 99.9 | 0 | 0 | 0 | 115.4 | ||||
| 869 | N | 30.7 | Very low | 30.9 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 68% | 0.679 | 75% | 0.746 | S | S | * | * | trans | 62.4 | 135.8 | 142.6 | -92.2 | -21.4 | 0 | 0 | 0 | 118.9 | ||||
| 870 | N | 32.1 | Very low | 30.8 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 63% | 0.631 | 75% | 0.745 | S | S | * | * | 129.5 | 121.9 | 111 | -86.9 | -37.1 | 0 | 0 | 0 | 117.7 | N872 | N870-N872 PolarHBondContact O-N 3.32Š| |||
| 871 | N | 31.4 | Very low | 30.6 | Very low | 130.75 Ų | 130.75 | 144.4 Ų | 144.4 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | trans | 48 | 112.5 | 135.1 | -54.1 | -24.5 | 0 | 0 | 0 | 119.6 | ||||
| 872 | N | 33.7 | Very low | 30.4 | Very low | 142.5 Ų | 142.5 | 141.9 Ų | 141.9 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | trans | 140.9 | 145.2 | 131.8 | -80.6 | -24.6 | 0 | 0 | 0 | 115.7 | N870 | N870-N872 PolarHBondContact O-N 3.32Š| ||
| 873 | K | 32.5 | Very low | 30.4 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | -159 | 146.1 | -118.1 | -100 | 176.8 | 176.6 | -170.7 | 0 | 107.8 | |||||
| 874 | D | 33.9 | Very low | 30.6 | Very low | 123.5 Ų | 123.5 | 135.8 Ų | 135.8 | 66% | 0.66 | 74% | 0.739 | S | S | * | * | 63.8 | 123.8 | 96.5 | -73.9 | -30.9 | 0 | 0 | 0 | 116.4 | |||||
| 875 | T | 30.2 | Very low | 30.7 | Very low | 124.75 Ų | 124.75 | 137.8 Ų | 137.8 | 77% | 0.765 | 74% | 0.743 | S | S | * | * | -131.3 | 122.6 | 107.5 | 52.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 876 | S | 30.7 | Very low | 30.6 | Very low | 108.75 Ų | 108.75 | 137.9 Ų | 137.9 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | trans | -134.2 | 135.8 | 146.2 | 49.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 877 | K | 29.7 | Very low | 30.6 | Very low | 198.5 Ų | 198.5 | 136 Ų | 136 | 86% | 0.863 | 75% | 0.749 | S | S | * | * | trans | -106.4 | 112.9 | 143.2 | -78.3 | 177.5 | -178.7 | 179.9 | 0 | 112.2 | I879 | K877-I879 PolarHBondContact O-N 2.8Š| ||
| 878 | I | 28.4 | Very low | 30.6 | Very low | 154.75 Ų | 154.75 | 136.9 Ų | 136.9 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | trans | -105.2 | 125.3 | 161.2 | -62.3 | 177.1 | 0 | 0 | 0 | 107.7 | I880 | I878-I880 HydrophobicContact CG2-CB 4.43Å; I878-I880 HydrophobicContact CG2-CD1 3.9Å; I878-I880 HydrophobicContact CG2-CG1 3.96Å | ||
| 879 | I | 28.4 | Very low | 30.9 | Very low | 146.25 Ų | 146.25 | 136.3 Ų | 136.3 | 75% | 0.75 | 76% | 0.755 | S | S | * | * | trans | -115.9 | 124.6 | 173.4 | -57.7 | 175.1 | 0 | 0 | 0 | 108.1 | K877 S881 | K877-I879 PolarHBondContact O-N 2.8Å; I879-S881 VanDerWaalsContact CG2-OG 3.32Å; I879-S881 WeakPolarHBondContact CG2-OG 3.39Å; I879-S881 PolarHBondContact O-N 3.05Å | ||
| 880 | I | 28.1 | Very low | 31.1 | Very low | 151.25 Ų | 151.25 | 135.2 Ų | 135.2 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | -146.3 | 104.6 | 165.4 | -57.1 | 176.7 | 0 | 0 | 0 | 108.5 | I878 | I878-I880 HydrophobicContact CG2-CB 4.43Å; I878-I880 HydrophobicContact CG2-CD1 3.9Å; I878-I880 HydrophobicContact CG2-CG1 3.96Å | ||
| 881 | S | 27 | Very low | 31.2 | Very low | 97.5 Ų | 97.5 | 134.8 Ų | 134.8 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | 121.3 | 123 | 114.7 | -66.9 | 0 | 0 | 0 | 0 | 113.6 | I879 | I879-S881 VanDerWaalsContact CG2-OG 3.32Å; I879-S881 WeakPolarHBondContact CG2-OG 3.39Å; I879-S881 PolarHBondContact O-N 3.05Å | |||
| 882 | S | 26.4 | Very low | 31.5 | Very low | 107.75 Ų | 107.75 | 134.6 Ų | 134.6 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | 6.9 | 134.5 | 160.1 | 41.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 883 | S | 29.6 | Very low | 31.4 | Very low | 103.5 Ų | 103.5 | 138.1 Ų | 138.1 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | trans | 95.9 | 138.9 | 156.4 | 76.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 884 | E | 32.5 | Very low | 31.5 | Very low | 162.5 Ų | 162.5 | 135.6 Ų | 135.6 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | cis | -120.2 | -179.5 | 8.2 | -78.3 | 146 | -162.9 | 0 | 0 | 110 | ||||
| 885 | F | 31.5 | Very low | 31.4 | Very low | 191.25 Ų | 191.25 | 137.2 Ų | 137.2 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | -123.5 | 137.4 | 95.4 | -108.4 | -99 | 0 | 0 | 0 | 110.7 | |||||
| 886 | S | 33 | Very low | 31.5 | Very low | 107.75 Ų | 107.75 | 139.4 Ų | 139.4 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | -155.3 | 126.9 | 153.4 | -70.8 | 0 | 0 | 0 | 0 | 112.6 | L888 | S886-L888 PolarHBondContact O-N 3.31Š| ||
| 887 | A | 32.3 | Very low | 31.4 | Very low | 94.5 Ų | 94.5 | 139.9 Ų | 139.9 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | -164.3 | 139.4 | 153.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 888 | L | 30.6 | Very low | 31.5 | Very low | 160.75 Ų | 160.75 | 135 Ų | 135 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | cis | -142.7 | 126.2 | -5.9 | -90.4 | 164.6 | 0 | 0 | 0 | 109.4 | S886 | S886-L888 PolarHBondContact O-N 3.31Š| ||
| 889 | V | 35.7 | Very low | 31.6 | Very low | 137.25 Ų | 137.25 | 134.2 Ų | 134.2 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | -137.2 | 140.9 | 143.3 | 155.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 890 | P | 35.5 | Very low | 31.7 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -109 | 159.5 | -179.9 | 37.1 | -33.3 | 0 | 0 | 0 | 115.4 | ||
| 891 | P | 34.6 | Very low | 31.7 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 162 | 176.4 | 30.4 | -27.9 | 0 | 0 | 0 | 112.5 | R893 | P891-R893 PolarHBondContact O-N 3.36Š|
| 892 | P | 36.3 | Very low | 31.8 | Very low | 126.5 Ų | 126.5 | 133.3 Ų | 133.3 | 82% | 0.821 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 143 | 177.4 | 16.8 | -20.3 | 0 | 0 | 0 | 112.8 | P894 | P892-P894 WeakPolarHBondContact O-CD 3.48Š|
| 893 | R | 33.5 | Very low | 32.1 | Very low | 215.25 Ų | 215.25 | 132.5 Ų | 132.5 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 130.5 | 178.1 | -75.6 | -178.8 | -127.7 | -144.5 | 0 | 111.2 | E566 P891 L895 | E566-R893 IonicContact OE2-NH1 2.63Å; E566-R893 PolarHBondContact OE2-NH1 3.32Å; P891-R893 PolarHBondContact O-N 3.36Å; R893-L895 PolarHBondContact O-N 3.09Å |
| 894 | P | 34.1 | Very low | 32.3 | Very low | 122.75 Ų | 122.75 | 134.5 Ų | 134.5 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 129.1 | 165.3 | 19.5 | -17.8 | 0 | 0 | 0 | 110.3 | P892 | P892-P894 WeakPolarHBondContact O-CD 3.48Š|
| 895 | L | 31.7 | Very low | 32.2 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 142.8 | 171.2 | -84.1 | 140.9 | 0 | 0 | 0 | 110.5 | R893 | R893-L895 PolarHBondContact O-N 3.09Š|
| 896 | K | 30.8 | Very low | 32.2 | Very low | 171.25 Ų | 171.25 | 129.8 Ų | 129.8 | 75% | 0.745 | 74% | 0.74 | S | S | * | * | trans | -5.8 | 128.5 | 169.6 | -66.7 | 172.9 | 177.3 | 177.1 | 0 | 112.7 | L1315 H1316 E1317 | K896-L1315 PolarHBondContact NZ-O 2.9Å; K896-H1316 VanDerWaalsContact CE-O 3.32Å; K896-H1316 WeakPolarHBondContact CE-O 3.27Å; K896-H1316 PolarHBondContact NZ-O 3.35Å; K896-E1317 VanDerWaalsContact CE-CD 3.47Å; K896-E1317 WeakPolarHBondContact CE-OE1 3.37Å; K896-E1317 WeakPolarHBondContact CE-OE2 3.36Å; K896-E1317 IonicContact NZ-OE1 3.26Å; K896-E1317 PolarHBondContact NZ-OE1 3.29Å; K896-E1317 IonicContact NZ-OE2 2.7Å; K896-E1317 PolarHBondContact NZ-OE2 3.32Å | ||
| 897 | S | 30.4 | Very low | 32.1 | Very low | 119.5 Ų | 119.5 | 130.5 Ų | 130.5 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | trans | -114.7 | 133.1 | 151 | 50.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 898 | S | 30.8 | Very low | 32 | Very low | 94.75 Ų | 94.75 | 130.6 Ų | 130.6 | 66% | 0.663 | 73% | 0.729 | S | S | * | * | trans | -120.1 | 136.4 | 167 | 52.4 | 0 | 0 | 0 | 0 | 110.1 | Y900 | S898-Y900 VanDerWaalsContact C-N 3.33Å; S898-Y900 PolarHBondContact O-N 2.91Å; S898-Y900 VanDerWaalsContact OG-CD2 3.25Å; S898-Y900 WeakPolarHBondContact OG-CD2 3.33Å; S898-Y900 WeakPolarHBondContact OG-CE2 3.38Å | ||
| 899 | N | 29.9 | Very low | 32.1 | Very low | 139.5 Ų | 139.5 | 129.9 Ų | 129.9 | 75% | 0.746 | 73% | 0.727 | S | S | * | * | trans | -109.1 | 141 | 148 | -88.4 | -10 | 0 | 0 | 0 | 109 | L943 | N899-L943 WeakPolarHBondContact O-CD2 3Å; N899-L943 WeakPolarHBondContact O-CG 3.34Å | ||
| 900 | Y | 30.9 | Very low | 31.8 | Very low | 189.25 Ų | 189.25 | 128.4 Ų | 128.4 | 74% | 0.742 | 72% | 0.717 | S | S | * | * | trans | 62.8 | 144.3 | 151.6 | -68.9 | -92.9 | 0 | 0 | 0 | 114.8 | S898 R942 L943 | S898-Y900 VanDerWaalsContact C-N 3.33Å; S898-Y900 PolarHBondContact O-N 2.91Å; S898-Y900 VanDerWaalsContact OG-CD2 3.25Å; S898-Y900 WeakPolarHBondContact OG-CD2 3.33Å; S898-Y900 WeakPolarHBondContact OG-CE2 3.38Å; Y900-R942 VanDerWaalsContact CD1-CA 3.4Å; Y900-R942 WeakPolarHBondContact CE1-O 3.23Å; Y900-R942 VanDerWaalsContact CG-C 3.44Å; Y900-R942 VanDerWaalsContact CZ-C 3.47Å; Y900-R942 PolarHBondContact OH-O 3.17Å; Y900-L943 VanDerWaalsContact CD2-CA 3.4Å; Y900-L943 HydrophobicContact CD2-CB 4.38Å; Y900-L943 HydrophobicContact CD2-CG 4.22Å; Y900-L943 VanDerWaalsContact CE2-N 3.35Å | ||
| 901 | S | 29.2 | Very low | 31.6 | Very low | 86 Ų | 86 | 134.3 Ų | 134.3 | 60% | 0.601 | 73% | 0.726 | S | S | * | * | 99.1 | 130 | 94 | -162.9 | 0 | 0 | 0 | 0 | 115.1 | D941 | S901-D941 WeakPolarHBondContact CB-OD1 3.28Å; S901-D941 WeakPolarHBondContact OG-CA 3.36Å; S901-D941 PolarHBondContact OG-N 3.4Å; S901-D941 PolarHBondContact OG-OD1 3.2Å | |||
| 902 | S | 29.2 | Very low | 31.4 | Very low | 99.75 Ų | 99.75 | 134.2 Ų | 134.2 | 70% | 0.698 | 73% | 0.728 | S | S | * | * | 127.8 | 136.8 | 92.9 | -73.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 903 | S | 33.1 | Very low | 31.1 | Very low | 91 Ų | 91 | 134.6 Ų | 134.6 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | -174.7 | 131.7 | 71.3 | 55.8 | 0 | 0 | 0 | 0 | 112.1 | D938 A939 S940 | S903-D938 VanDerWaalsContact CB-OD1 3.3Å; S903-D938 WeakPolarHBondContact CB-OD1 3.35Å; S903-D938 PolarHBondContact OG-OD1 3.4Å; S903-A939 WeakPolarHBondContact OG-CB 3.44Å; S903-S940 PolarHBondContact OG-OG 3.27Å | |||
| 904 | E | 31.9 | Very low | 30.9 | Very low | 146.5 Ų | 146.5 | 130.6 Ų | 130.6 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | 160.1 | 156 | 53.4 | -101 | 173.8 | 147 | 0 | 0 | 113.9 | K937 D938 | E904-K937 WeakPolarHBondContact OE1-CA 3.26Å; E904-D938 PolarHBondContact OE1-N 2.71Å; E904-D938 WeakPolarHBondContact OE2-CA 3.22Å; E904-D938 PolarHBondContact OE2-N 2.97Å | |||
| 905 | L | 31.7 | Very low | 30.6 | Very low | 122.75 Ų | 122.75 | 133.5 Ų | 133.5 | 64% | 0.643 | 71% | 0.713 | S | S | * | * | trans | 52.5 | 150.4 | 143.6 | -66.1 | 160.1 | 0 | 0 | 0 | 115.3 | L907 I936 K937 | L905-L907 HydrophobicContact CD2-CD2 4.4Å; L905-L907 HydrophobicContact CD2-CG 4.37Å; L905-I936 HydrophobicContact CD1-CG1 4.19Å; L905-K937 HydrophobicContact CD1-CG 3.81Å | ||
| 906 | D | 30.9 | Very low | 30.6 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | cis | -149.5 | 167.7 | 17.7 | -136.6 | -17 | 0 | 0 | 0 | 111.9 | K937 | D906-K937 IonicContact OD1-NZ 2.77Å; D906-K937 IonicContact OD2-NZ 2.71Å | ||
| 907 | L | 30 | Very low | 30.5 | Very low | 122.5 Ų | 122.5 | 132.4 Ų | 132.4 | 64% | 0.641 | 70% | 0.704 | S | S | * | * | trans | -81.6 | 147.4 | 173.7 | -68.6 | 163.4 | 0 | 0 | 0 | 115.7 | L905 I936 | L905-L907 HydrophobicContact CD2-CD2 4.4Å; L905-L907 HydrophobicContact CD2-CG 4.37Å; L907-I936 HydrophobicContact CD1-CD1 3.94Å; L907-I936 HydrophobicContact CD1-CG1 4.1Å | ||
| 908 | S | 30.2 | Very low | 30.6 | Very low | 96.75 Ų | 96.75 | 134.5 Ų | 134.5 | 68% | 0.677 | 70% | 0.698 | S | S | * | * | trans | 97 | 141.3 | 135.3 | 69.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 909 | N | 33 | Very low | 30.6 | Very low | 147 Ų | 147 | 134.5 Ų | 134.5 | 79% | 0.786 | 69% | 0.691 | S | S | * | * | 138.7 | 119.7 | 122.8 | -71.6 | -57.9 | 0 | 0 | 0 | 114.5 | |||||
| 910 | V | 30.7 | Very low | 30.6 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | 92.2 | 124 | 60.1 | 174.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 911 | R | 30.9 | Very low | 30.7 | Very low | 227.75 Ų | 227.75 | 132.5 Ų | 132.5 | 86% | 0.859 | 68% | 0.68 | S | S | * | * | trans | 131.2 | 132.8 | 149.1 | -91.5 | 157.9 | -169.7 | -170.6 | 2.5 | 115.9 | I913 | R911-I913 HydrophobicContact CB-CD1 4.28Å; R911-I913 HydrophobicContact CB-CG1 4.31Å; R911-I913 HydrophobicContact CG-CD1 3.62Å; R911-I913 HydrophobicContact CG-CG1 4.03Å; R911-I913 PolarHBondContact O-N 3.43Å | ||
| 912 | S | 29.9 | Very low | 30.8 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | trans | -134.3 | 135.1 | 155.3 | -62.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 913 | I | 30.7 | Very low | 30.9 | Very low | 134.5 Ų | 134.5 | 136.6 Ų | 136.6 | 69% | 0.69 | 68% | 0.683 | S | S | * | * | trans | 169.4 | 124.7 | 151.1 | -67.4 | 174.2 | 0 | 0 | 0 | 112.2 | R911 | R911-I913 HydrophobicContact CB-CD1 4.28Å; R911-I913 HydrophobicContact CB-CG1 4.31Å; R911-I913 HydrophobicContact CG-CD1 3.62Å; R911-I913 HydrophobicContact CG-CG1 4.03Å; R911-I913 PolarHBondContact O-N 3.43Å | ||
| 914 | N | 28.9 | Very low | 30.9 | Very low | 132 Ų | 132 | 138 Ų | 138 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | trans | 67.8 | 150.5 | 159 | -62.1 | -2.6 | 0 | 0 | 0 | 120.1 | ||||
| 915 | Y | 28.3 | Very low | 31 | Very low | 184.25 Ų | 184.25 | 136.4 Ų | 136.4 | 72% | 0.723 | 69% | 0.69 | S | S | * | * | trans | 53.3 | 135.5 | 149 | -69.6 | -79.2 | 0 | 0 | 0 | 117.8 | P558 F917 | P558-Y915 HydrophobicContact CG-CD1 4.24Å; P558-Y915 WeakPolarHBondContact O-CD1 3.29Å; Y915-F917 HydrophobicContact CD1-CD2 4.36Å; Y915-F917 HydrophobicContact CD1-CE2 4.24Å | ||
| 916 | E | 31.1 | Very low | 30.9 | Very low | 148 Ų | 148 | 137.7 Ų | 137.7 | 69% | 0.692 | 70% | 0.696 | S | S | * | * | -172.1 | 126.8 | 102.8 | -122.5 | -173.8 | 165.2 | 0 | 0 | 113.9 | T557 K918 | T557-E916 HydrophobicContact CG2-CG 3.82Å; E916-K918 VanDerWaalsContact OE1-CE 3.26Å; E916-K918 WeakPolarHBondContact OE1-CE 3.34Å; E916-K918 IonicContact OE1-NZ 3.18Å; E916-K918 PolarHBondContact OE1-NZ 3.11Å; E916-K918 IonicContact OE2-NZ 2.72Å; E916-K918 PolarHBondContact OE2-NZ 3.22Å | |||
| 917 | F | 28.3 | Very low | 31 | Very low | 155.5 Ų | 155.5 | 138.2 Ų | 138.2 | 68% | 0.682 | 70% | 0.699 | S | S | * | * | trans | 0.7 | 143 | 141.4 | -104.9 | -95.7 | 0 | 0 | 0 | 115.5 | P558 Y915 N919 | P558-F917 HydrophobicContact CG-CB 4.2Å; P558-F917 HydrophobicContact CG-CD1 4.2Å; P558-F917 HydrophobicContact CG-CD2 3.33Å; P558-F917 HydrophobicContact CG-CE1 4.43Å; P558-F917 HydrophobicContact CG-CE2 3.6Å; P558-F917 HydrophobicContact CG-CG 3.66Å; P558-F917 HydrophobicContact CG-CZ 4.15Å; Y915-F917 HydrophobicContact CD1-CD2 4.36Å; Y915-F917 HydrophobicContact CD1-CE2 4.24Å; F917-N919 WeakPolarHBondContact CD1-OD1 3.24Å | ||
| 918 | K | 33.5 | Very low | 31 | Very low | 162.75 Ų | 162.75 | 139.9 Ų | 139.9 | 71% | 0.708 | 70% | 0.704 | S | S | * | * | trans | 137.7 | 140.9 | 157.4 | -71.5 | 158.5 | -169.8 | 152.7 | 0 | 112.9 | E916 | E916-K918 VanDerWaalsContact OE1-CE 3.26Å; E916-K918 WeakPolarHBondContact OE1-CE 3.34Å; E916-K918 IonicContact OE1-NZ 3.18Å; E916-K918 PolarHBondContact OE1-NZ 3.11Å; E916-K918 IonicContact OE2-NZ 2.72Å; E916-K918 PolarHBondContact OE2-NZ 3.22Å | ||
| 919 | N | 29.9 | Very low | 31.2 | Very low | 96.25 Ų | 96.25 | 143.7 Ų | 143.7 | 52% | 0.515 | 71% | 0.708 | S | S | . | * | cis | -177.6 | 163.7 | -18.1 | -89.8 | 23 | 0 | 0 | 0 | 110.2 | N555 F917 D921 | N555-N919 VanDerWaalsContact OD1-CG 3.31Å; N555-N919 PolarHBondContact OD1-ND2 3.14Å; F917-N919 WeakPolarHBondContact CD1-OD1 3.24Å; N919-D921 WeakPolarHBondContact CB-OD2 3.32Å; N919-D921 VanDerWaalsContact ND2-CG 3.31Å; N919-D921 PolarHBondContact ND2-OD1 2.81Å; N919-D921 VanDerWaalsContact ND2-OD1 3.08Å; N919-D921 PolarHBondContact ND2-OD2 2.64Å | ||
| 920 | Y | 31.1 | Very low | 31.2 | Very low | 188.5 Ų | 188.5 | 142.5 Ų | 142.5 | 74% | 0.739 | 70% | 0.702 | S | S | * | * | trans | 94.9 | 119.4 | 164.8 | -68.1 | -68.1 | 0 | 0 | 0 | 114.6 | N178 Q179 Y922 | N178-Y920 CarbonylContact C-O 3.16Å; N178-Y920 CarbonylContact O-C 3.55Å; N178-Y920 WeakPolarHBondContact O-CA 3.46Å; N178-Y920 PolarHBondContact O-N 3.38Å; Q179-Y920 CarbonylContact C-O 2.95Å; Q179-Y920 PolarHBondContact N-O 3.18Å; Q179-Y920 VanDerWaalsContact N-O 3.13Å; Y920-Y922 HydrophobicContact CD1-CE2 4.35Å; Y920-Y922 HydrophobicContact CE1-CE2 4.46Å | ||
| 921 | D | 31.8 | Very low | 31.3 | Very low | 97.5 Ų | 97.5 | 143.5 Ų | 143.5 | 52% | 0.521 | 70% | 0.704 | S | S | . | * | cis | 141.2 | 160.1 | 4.5 | -102.8 | -35.3 | 0 | 0 | 0 | 113.1 | Q179 N919 | Q179-D921 CarbonylContact O-C 3.34Å; Q179-D921 WeakPolarHBondContact O-CA 3.3Å; Q179-D921 PolarHBondContact O-N 2.67Å; N919-D921 WeakPolarHBondContact CB-OD2 3.32Å; N919-D921 VanDerWaalsContact ND2-CG 3.31Å; N919-D921 PolarHBondContact ND2-OD1 2.81Å; N919-D921 VanDerWaalsContact ND2-OD1 3.08Å; N919-D921 PolarHBondContact ND2-OD2 2.64Å | ||
| 922 | Y | 32.2 | Very low | 31.5 | Very low | 178.75 Ų | 178.75 | 141.8 Ų | 141.8 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | trans | 88.8 | 128.1 | 153.4 | -77.9 | -85.7 | 0 | 0 | 0 | 118 | Q179 H180 Y920 | Q179-Y922 PolarHBondContact O-N 3.02Å; H180-Y922 WeakPolarHBondContact CB-O 3.38Å; Y920-Y922 HydrophobicContact CD1-CE2 4.35Å; Y920-Y922 HydrophobicContact CE1-CE2 4.46Å | ||
| 923 | S | 31.2 | Very low | 31.9 | Very low | 93 Ų | 93 | 141.7 Ų | 141.7 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | 126.5 | 121.5 | 59.4 | -69.4 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 924 | T | 32.2 | Very low | 31.9 | Very low | 121.5 Ų | 121.5 | 143.3 Ų | 143.3 | 75% | 0.745 | 71% | 0.708 | S | S | * | * | trans | 8.3 | 161.4 | 136.2 | 48.6 | 0 | 0 | 0 | 0 | 119.8 | I926 | T924-I926 HydrophobicContact CG2-CD1 3.72Å; T924-I926 HydrophobicContact CG2-CG1 4.14Å | ||
| 925 | P | 33.8 | Very low | 32.2 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 73% | 0.734 | 70% | 0.702 | S | S | * | * | cis | -134.8 | 178.7 | -6.1 | 38.8 | -19.9 | 0 | 0 | 0 | 116 | ||||
| 926 | I | 30.3 | Very low | 32.4 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 77% | 0.769 | 70% | 0.701 | S | S | * | * | trans | 148 | 138.3 | 150.6 | -59.7 | 173.3 | 0 | 0 | 0 | 113.3 | T924 | T924-I926 HydrophobicContact CG2-CD1 3.72Å; T924-I926 HydrophobicContact CG2-CG1 4.14Å | ||
| 927 | N | 32.1 | Very low | 32.5 | Very low | 140.75 Ų | 140.75 | 138.8 Ų | 138.8 | 75% | 0.753 | 70% | 0.699 | S | S | * | * | trans | -161.6 | 148.9 | 158.4 | -81.4 | -0.1 | 0 | 0 | 0 | 114.7 | ||||
| 928 | E | 30.9 | Very low | 32.8 | Very low | 158.5 Ų | 158.5 | 136.8 Ų | 136.8 | 74% | 0.741 | 70% | 0.696 | S | S | * | * | 62 | 138.4 | 126.4 | -78 | -175.2 | 142.4 | 0 | 0 | 117 | |||||
| 929 | F | 34 | Very low | 32.7 | Very low | 175.25 Ų | 175.25 | 133.1 Ų | 133.1 | 77% | 0.769 | 70% | 0.695 | S | S | * | * | 169.9 | 116.3 | 125.8 | -100.6 | -54 | 0 | 0 | 0 | 115.1 | |||||
| 930 | N | 32.4 | Very low | 32.8 | Very low | 122.75 Ų | 122.75 | 133 Ų | 133 | 66% | 0.656 | 70% | 0.703 | S | S | * | * | 55.6 | 127.2 | 127.3 | -76.9 | -44.7 | 0 | 0 | 0 | 120.1 | |||||
| 931 | N | 34.3 | Very low | 32.8 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 67% | 0.674 | 70% | 0.698 | S | S | * | * | 100.4 | 119.1 | 126.6 | -73.1 | -73.2 | 0 | 0 | 0 | 120.7 | |||||
| 932 | K | 34.8 | Very low | 32.7 | Very low | 191.25 Ų | 191.25 | 134.9 Ų | 134.9 | 83% | 0.832 | 71% | 0.71 | S | S | * | * | 126.5 | 159.1 | 109 | -85.3 | -178.9 | -179.8 | 162.5 | 0 | 117 | |||||
| 933 | P | 37.6 | Very low | 32.7 | Very low | 105.25 Ų | 105.25 | 132.7 Ų | 132.7 | 68% | 0.683 | 71% | 0.71 | S | S | * | * | trans | -132.7 | 173.9 | -140.6 | 42.2 | -26.2 | 0 | 0 | 0 | 116.6 | ||||
| 934 | L | 32 | Very low | 32.7 | Very low | 168.5 Ų | 168.5 | 133.4 Ų | 133.4 | 88% | 0.882 | 71% | 0.712 | S | S | * | * | trans | 130.8 | 129.5 | 161.5 | -72.1 | 161.7 | 0 | 0 | 0 | 112.2 | ||||
| 935 | S | 33.6 | Very low | 32.6 | Very low | 81.75 Ų | 81.75 | 132.3 Ų | 132.3 | 57% | 0.572 | 71% | 0.71 | S | S | * | * | cis | 170.6 | 149.2 | 0.9 | -164.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 936 | I | 32.9 | Very low | 32.2 | Very low | 135.75 Ų | 135.75 | 131.9 Ų | 131.9 | 70% | 0.696 | 71% | 0.709 | S | S | * | * | trans | 79.2 | 113.4 | 152.4 | -66.8 | 173.1 | 0 | 0 | 0 | 118.4 | L905 L907 | L905-I936 HydrophobicContact CD1-CG1 4.19Å; L907-I936 HydrophobicContact CD1-CD1 3.94Å; L907-I936 HydrophobicContact CD1-CG1 4.1Å | ||
| 937 | K | 34.4 | Very low | 32.1 | Very low | 151.75 Ų | 151.75 | 130.4 Ų | 130.4 | 66% | 0.66 | 71% | 0.707 | S | S | * | * | 153.4 | 135.8 | 73 | -106.1 | 172.1 | 176.8 | -178.2 | 0 | 120.6 | E904 L905 D906 | E904-K937 WeakPolarHBondContact OE1-CA 3.26Å; L905-K937 HydrophobicContact CD1-CG 3.81Å; D906-K937 IonicContact OD1-NZ 2.77Å; D906-K937 IonicContact OD2-NZ 2.71Å | |||
| 938 | D | 32.9 | Very low | 31.9 | Very low | 114.25 Ų | 114.25 | 129.5 Ų | 129.5 | 61% | 0.611 | 71% | 0.707 | S | S | * | * | trans | 59.5 | 119.8 | 135.3 | -58.8 | -29.1 | 0 | 0 | 0 | 120.2 | S903 E904 | S903-D938 VanDerWaalsContact CB-OD1 3.3Å; S903-D938 WeakPolarHBondContact CB-OD1 3.35Å; S903-D938 PolarHBondContact OG-OD1 3.4Å; E904-D938 PolarHBondContact OE1-N 2.71Å; E904-D938 WeakPolarHBondContact OE2-CA 3.22Å; E904-D938 PolarHBondContact OE2-N 2.97Å | ||
| 939 | A | 32.1 | Very low | 31.8 | Very low | 84.75 Ų | 84.75 | 129 Ų | 129 | 70% | 0.7 | 71% | 0.707 | S | S | * | * | 74.7 | 127.4 | 104.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | S903 | S903-A939 WeakPolarHBondContact OG-CB 3.44Š| |||
| 940 | S | 31.2 | Very low | 31.6 | Very low | 95.25 Ų | 95.25 | 125.9 Ų | 125.9 | 67% | 0.666 | 70% | 0.703 | S | S | * | * | 95.3 | 141.2 | 91.6 | -69.3 | 0 | 0 | 0 | 0 | 116.8 | S903 | S903-S940 PolarHBondContact OG-OG 3.27Š| |||
| 941 | D | 31.4 | Very low | 31.5 | Very low | 120.5 Ų | 120.5 | 126.7 Ų | 126.7 | 64% | 0.644 | 71% | 0.708 | S | S | * | * | 136.8 | 132.9 | 127.7 | -88.3 | -8.6 | 0 | 0 | 0 | 115.5 | S901 | S901-D941 WeakPolarHBondContact CB-OD1 3.28Å; S901-D941 WeakPolarHBondContact OG-CA 3.36Å; S901-D941 PolarHBondContact OG-N 3.4Å; S901-D941 PolarHBondContact OG-OD1 3.2Å | |||
| 942 | R | 31.2 | Very low | 31.3 | Very low | 203.5 Ų | 203.5 | 125.6 Ų | 125.6 | 77% | 0.768 | 71% | 0.71 | S | S | * | * | 138.8 | 125.1 | 114.5 | -88.2 | 163 | -162 | -121.8 | -2.6 | 113.6 | Y900 | Y900-R942 VanDerWaalsContact CD1-CA 3.4Å; Y900-R942 WeakPolarHBondContact CE1-O 3.23Å; Y900-R942 VanDerWaalsContact CG-C 3.44Å; Y900-R942 VanDerWaalsContact CZ-C 3.47Å; Y900-R942 PolarHBondContact OH-O 3.17Å | |||
| 943 | L | 31 | Very low | 31.1 | Very low | 132.75 Ų | 132.75 | 122.8 Ų | 122.8 | 70% | 0.695 | 71% | 0.708 | S | S | * | * | 52 | 146.9 | 112.6 | -67.4 | 162.4 | 0 | 0 | 0 | 115.8 | N899 Y900 | N899-L943 WeakPolarHBondContact O-CD2 3Å; N899-L943 WeakPolarHBondContact O-CG 3.34Å; Y900-L943 VanDerWaalsContact CD2-CA 3.4Å; Y900-L943 HydrophobicContact CD2-CB 4.38Å; Y900-L943 HydrophobicContact CD2-CG 4.22Å; Y900-L943 VanDerWaalsContact CE2-N 3.35Å | |||
| 944 | P | 32.5 | Very low | 30.7 | Very low | 107.5 Ų | 107.5 | 122.4 Ų | 122.4 | 70% | 0.698 | 71% | 0.708 | S | S | * | * | cis | -127.6 | 168 | 3.1 | 39.1 | -24.4 | 0 | 0 | 0 | 115.2 | S946 | P944-S946 PolarHBondContact O-N 3.38Š| ||
| 945 | S | 28.7 | Very low | 30.5 | Very low | 99.75 Ų | 99.75 | 121.5 Ų | 121.5 | 70% | 0.698 | 70% | 0.703 | S | S | * | * | trans | 40.2 | 138.2 | 143 | -63.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 946 | S | 26.8 | Very low | 30.4 | Very low | 104 Ų | 104 | 124.7 Ų | 124.7 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | trans | 24.7 | 129.9 | 134.6 | 85.8 | 0 | 0 | 0 | 0 | 116.1 | P944 V948 | P944-S946 PolarHBondContact O-N 3.38Å; S946-V948 PolarHBondContact O-N 3.37Å | ||
| 947 | T | 27.6 | Very low | 30.4 | Very low | 119 Ų | 119 | 123.9 Ų | 123.9 | 73% | 0.73 | 71% | 0.714 | S | S | * | * | trans | 69 | 115.6 | 160.7 | -46.6 | 0 | 0 | 0 | 0 | 116.4 | I949 | T947-I949 HydrophobicContact CG2-CD1 3.76Å; T947-I949 HydrophobicContact CG2-CG1 4.08Å | ||
| 948 | V | 27.4 | Very low | 30.6 | Very low | 121.25 Ų | 121.25 | 122 Ų | 122 | 74% | 0.735 | 72% | 0.717 | S | S | * | * | 85.7 | 113.8 | 129.2 | -174.5 | 0 | 0 | 0 | 0 | 114 | S946 T950 | S946-V948 PolarHBondContact O-N 3.37Å; V948-T950 HydrophobicContact CG1-CG2 4.42Å | |||
| 949 | I | 28.8 | Very low | 30.4 | Very low | 147.75 Ų | 147.75 | 125.6 Ų | 125.6 | 76% | 0.758 | 73% | 0.727 | S | S | * | * | 67.6 | 114.1 | 124.1 | -63.5 | 168.6 | 0 | 0 | 0 | 112.8 | T947 | T947-I949 HydrophobicContact CG2-CD1 3.76Å; T947-I949 HydrophobicContact CG2-CG1 4.08Å | |||
| 950 | T | 29.5 | Very low | 30.3 | Very low | 110.75 Ų | 110.75 | 127.3 Ų | 127.3 | 68% | 0.679 | 73% | 0.729 | S | S | * | * | 153.1 | 143.5 | 114.5 | 53.8 | 0 | 0 | 0 | 0 | 117 | V948 | V948-T950 HydrophobicContact CG1-CG2 4.42Š| |||
| 951 | D | 30.6 | Very low | 30.2 | Very low | 140.25 Ų | 140.25 | 129.3 Ų | 129.3 | 75% | 0.75 | 74% | 0.737 | S | S | * | * | trans | 66.8 | 109.7 | 150.1 | -60.3 | -42.5 | 0 | 0 | 0 | 121 | ||||
| 952 | S | 29.3 | Very low | 30 | Very low | 102.25 Ų | 102.25 | 126.7 Ų | 126.7 | 72% | 0.715 | 74% | 0.739 | S | S | * | * | 168.4 | 148.9 | 106.4 | -84.1 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 953 | T | 31 | Very low | 29.9 | Very low | 131.25 Ų | 131.25 | 124.6 Ų | 124.6 | 81% | 0.805 | 74% | 0.742 | S | S | * | * | trans | 48.6 | 123.7 | 163.3 | 47.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 954 | S | 29.1 | Very low | 29.6 | Very low | 98.25 Ų | 98.25 | 128.1 Ų | 128.1 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | 129.8 | 164.8 | 74.4 | 61.4 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 955 | I | 28.8 | Very low | 29.5 | Very low | 150 Ų | 150 | 129.1 Ų | 129.1 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | 70.7 | 128.2 | 150.5 | -50.2 | 172 | 0 | 0 | 0 | 119 | ||||
| 956 | I | 31.4 | Very low | 29.5 | Very low | 148.75 Ų | 148.75 | 129.9 Ų | 129.9 | 76% | 0.763 | 75% | 0.747 | S | S | * | * | 140.1 | 131.8 | 113.9 | -82 | 175.1 | 0 | 0 | 0 | 116.3 | |||||
| 957 | T | 33.2 | Very low | 29.6 | Very low | 118.75 Ų | 118.75 | 132.4 Ų | 132.4 | 73% | 0.729 | 75% | 0.747 | S | S | * | * | trans | -80.6 | 167.2 | 163.1 | 58.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 958 | P | 37.7 | Very low | 29.7 | Very low | 112.5 Ų | 112.5 | 134.5 Ų | 134.5 | 73% | 0.731 | 75% | 0.749 | S | S | * | * | -129.2 | 157.1 | 97.3 | 37.4 | -25.5 | 0 | 0 | 0 | 115.2 | |||||
| 959 | K | 29.2 | Very low | 29.9 | Very low | 188.5 Ų | 188.5 | 136 Ų | 136 | 82% | 0.82 | 75% | 0.748 | S | S | * | * | 23.8 | 149.9 | 126.6 | -70.1 | 176.4 | 178.4 | 176.9 | 0 | 117.1 | |||||
| 960 | T | 30 | Very low | 29.9 | Very low | 120.25 Ų | 120.25 | 135.5 Ų | 135.5 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | 109 | 130.6 | 120.4 | -27.9 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 961 | T | 29.6 | Very low | 29.9 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 84% | 0.84 | 74% | 0.738 | S | S | * | * | trans | 65.7 | 121.4 | 153.7 | 50.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 962 | G | 27.1 | Very low | 29.8 | Very low | 66.75 Ų | 66.75 | 136.4 Ų | 136.4 | 69% | 0.688 | 74% | 0.738 | S | S | * | * | trans | 84.2 | 139.5 | 135.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 963 | I | 28.1 | Very low | 29.8 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 82% | 0.821 | 74% | 0.743 | S | S | * | * | 143.5 | 135.4 | 110.8 | -64.4 | 162.3 | 0 | 0 | 0 | 111.6 | V965 | I963-V965 HydrophobicContact CG2-CB 3.98Š| |||
| 964 | Y | 25.9 | Very low | 29.7 | Very low | 205.75 Ų | 205.75 | 136.3 Ų | 136.3 | 81% | 0.807 | 74% | 0.738 | S | S | * | * | trans | -38.6 | 108.7 | 161.3 | -116.7 | -89.4 | 0 | 0 | 0 | 113.8 | ||||
| 965 | V | 29.7 | Very low | 29.8 | Very low | 127.5 Ų | 127.5 | 139.2 Ų | 139.2 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | -154.4 | 125 | 144.5 | 158.7 | 0 | 0 | 0 | 0 | 110.1 | I963 | I963-V965 HydrophobicContact CG2-CB 3.98Š| ||
| 966 | N | 28.7 | Very low | 29.7 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 63% | 0.631 | 74% | 0.739 | S | S | * | * | trans | 14.5 | 138.1 | 159.7 | -59.1 | -22.9 | 0 | 0 | 0 | 121.7 | K989 | N966-K989 PolarHBondContact OD1-NZ 2.95Š| ||
| 967 | H | 29.2 | Very low | 29.6 | Very low | 156.25 Ų | 156.25 | 136.3 Ų | 136.3 | 72% | 0.723 | 74% | 0.736 | S | S | * | * | trans | 26.5 | 148.4 | 132.3 | -75.4 | -105.7 | 0 | 0 | 0 | 121.6 | K989 | H967-K989 PolarHBondContact CD2-NZ 3.41Å; H967-K989 PolarHBondContact NE2-NZ 2.84Å | ||
| 968 | E | 30.2 | Very low | 29.4 | Very low | 162.5 Ų | 162.5 | 136.4 Ų | 136.4 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | trans | 96 | 143.8 | 151.1 | -73 | 163.7 | 142.6 | 0 | 0 | 113.7 | L987 | E968-L987 HydrophobicContact CB-CD1 3.72Å; E968-L987 HydrophobicContact CG-CD1 3.45Å; E968-L987 VanDerWaalsContact CG-CD1 3.45Å; E968-L987 HydrophobicContact CG-CD2 3.62Å; E968-L987 HydrophobicContact CG-CG 4.08Å; E968-L987 WeakPolarHBondContact OE1-CD1 3.25Å; E968-L987 WeakPolarHBondContact OE1-CD2 3.37Å; E968-L987 WeakPolarHBondContact OE2-CD2 3.38Å | ||
| 969 | E | 31.2 | Very low | 29.1 | Very low | 153.25 Ų | 153.25 | 141.3 Ų | 141.3 | 72% | 0.716 | 74% | 0.738 | S | S | * | * | cis | -134.5 | 152.2 | 12.4 | -101.8 | -179.6 | 139.4 | 0 | 0 | 111.5 | L987 | E969-L987 HydrophobicContact CG-CD1 3.91Š| ||
| 970 | L | 29.2 | Very low | 29.1 | Very low | 136.5 Ų | 136.5 | 139.3 Ų | 139.3 | 72% | 0.715 | 74% | 0.735 | S | S | * | * | trans | 64 | 131.8 | 138.9 | -84.8 | 131.9 | 0 | 0 | 0 | 117.3 | ||||
| 971 | N | 28.6 | Very low | 28.9 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 52% | 0.524 | 73% | 0.728 | S | S | . | * | trans | -162.5 | 138.9 | 142.5 | -90.7 | -41.5 | 0 | 0 | 0 | 113.7 | Y985 E986 | N971-Y985 WeakPolarHBondContact OD1-CE1 3.44Å; N971-Y985 PolarHBondContact OD1-OH 3.17Å; N971-E986 PolarHBondContact ND2-OE1 3.22Å | ||
| 972 | K | 29.4 | Very low | 28.9 | Very low | 171.5 Ų | 171.5 | 136 Ų | 136 | 75% | 0.746 | 72% | 0.723 | S | S | * | * | 92.5 | 120.8 | 127.1 | -66.9 | 165.1 | -171.8 | 160.9 | 0 | 116.6 | Y985 E986 | K972-Y985 VanDerWaalsContact CE-CZ 3.46Å; K972-Y985 WeakPolarHBondContact CE-OH 3.34Å; K972-E986 IonicContact NZ-OE1 2.63Å | |||
| 973 | T | 29.5 | Very low | 29 | Very low | 133.75 Ų | 133.75 | 142 Ų | 142 | 82% | 0.821 | 73% | 0.733 | S | S | * | * | 169.5 | 102.6 | 119.9 | 26.2 | 0 | 0 | 0 | 0 | 112.5 | L975 | T973-L975 PolarHBondContact O-N 3.49Š| |||
| 974 | S | 28.7 | Very low | 29 | Very low | 99.5 Ų | 99.5 | 139.8 Ų | 139.8 | 70% | 0.696 | 73% | 0.727 | S | S | * | * | trans | 46.5 | 116.7 | 136.4 | 62.3 | 0 | 0 | 0 | 0 | 114.8 | T976 | S974-T976 PolarHBondContact O-N 2.89Š| ||
| 975 | L | 30.4 | Very low | 29.1 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | trans | 93.3 | 101.1 | 138.6 | -87.2 | 143.5 | 0 | 0 | 0 | 113.1 | T973 | T973-L975 PolarHBondContact O-N 3.49Š| ||
| 976 | T | 27.8 | Very low | 29 | Very low | 105.5 Ų | 105.5 | 140 Ų | 140 | 65% | 0.647 | 72% | 0.72 | S | S | * | * | 51.6 | 134.7 | 127.8 | 55.6 | 0 | 0 | 0 | 0 | 117.5 | S974 | S974-T976 PolarHBondContact O-N 2.89Š| |||
| 977 | N | 28.5 | Very low | 28.9 | Very low | 132.25 Ų | 132.25 | 140.3 Ų | 140.3 | 71% | 0.707 | 72% | 0.721 | S | S | * | * | trans | 84.9 | 124.5 | 130.9 | -67.1 | -10.3 | 0 | 0 | 0 | 116.1 | ||||
| 978 | N | 29.5 | Very low | 28.8 | Very low | 120.25 Ų | 120.25 | 140 Ų | 140 | 64% | 0.643 | 72% | 0.724 | S | S | * | * | 129.9 | 106.9 | 120.6 | -81.4 | -12.1 | 0 | 0 | 0 | 114.7 | L980 | N978-L980 HydrophobicContact CB-CB 4.42Å; N978-L980 HydrophobicContact CB-CD1 4.37Å | |||
| 979 | Y | 30.4 | Very low | 28.8 | Very low | 216.25 Ų | 216.25 | 140.3 Ų | 140.3 | 85% | 0.848 | 72% | 0.723 | S | S | * | * | S | Bend | -134.1 | 102.7 | 128.5 | -89.7 | -70.2 | 0 | 0 | 0 | 109 | |||
| 980 | L | 29.5 | Very low | 28.7 | Very low | 144.5 Ų | 144.5 | 139 Ų | 139 | 76% | 0.757 | 73% | 0.726 | S | S | * | * | S | Bend | -111.8 | 103 | 113.7 | -92.2 | 154 | 0 | 0 | 0 | 111.2 | N978 | N978-L980 HydrophobicContact CB-CB 4.42Å; N978-L980 HydrophobicContact CB-CD1 4.37Å | |
| 981 | S | 26.5 | Very low | 28.7 | Very low | 86 Ų | 86 | 139.6 Ų | 139.6 | 60% | 0.601 | 73% | 0.729 | S | S | * | * | trans | -177.3 | 137.1 | 133.3 | -148.2 | 0 | 0 | 0 | 0 | 112.2 | Y985 | S981-Y985 WeakPolarHBondContact OG-CD2 3.43Š| ||
| 982 | S | 28.5 | Very low | 28.7 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | -144.3 | 111.7 | 165.9 | -80.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 983 | Q | 30.1 | Very low | 28.7 | Very low | 192.25 Ų | 192.25 | 138.6 Ų | 138.6 | 90% | 0.898 | 73% | 0.734 | S | S | * | * | trans | -179.8 | 109.6 | 165.1 | -72.1 | -179.1 | 23.2 | 0 | 0 | 109.7 | ||||
| 984 | V | 28.1 | Very low | 28.9 | Very low | 113.25 Ų | 113.25 | 136.2 Ų | 136.2 | 69% | 0.686 | 72% | 0.723 | S | S | * | * | -158.9 | 123.1 | 102.8 | 177.3 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 985 | Y | 26.8 | Very low | 28.9 | Very low | 180.75 Ų | 180.75 | 140 Ų | 140 | 71% | 0.709 | 72% | 0.723 | S | S | * | * | trans | 63.4 | 98.9 | 179.6 | -72.9 | -83.3 | 0 | 0 | 0 | 116.5 | N971 K972 S981 | N971-Y985 WeakPolarHBondContact OD1-CE1 3.44Å; N971-Y985 PolarHBondContact OD1-OH 3.17Å; K972-Y985 VanDerWaalsContact CE-CZ 3.46Å; K972-Y985 WeakPolarHBondContact CE-OH 3.34Å; S981-Y985 WeakPolarHBondContact OG-CD2 3.43Å | ||
| 986 | E | 27.7 | Very low | 28.8 | Very low | 156.75 Ų | 156.75 | 137.9 Ų | 137.9 | 73% | 0.732 | 72% | 0.717 | S | S | * | * | -153 | 131 | 89.8 | -124 | 174.1 | -163.2 | 0 | 0 | 110 | N971 K972 | N971-E986 PolarHBondContact ND2-OE1 3.22Å; K972-E986 IonicContact NZ-OE1 2.63Å | |||
| 987 | L | 26.2 | Very low | 28.9 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 65% | 0.654 | 71% | 0.712 | S | S | * | * | trans | -138.6 | 153.9 | 156.9 | -88.1 | 165.5 | 0 | 0 | 0 | 113.7 | E968 E969 K989 | E968-L987 HydrophobicContact CB-CD1 3.72Å; E968-L987 HydrophobicContact CG-CD1 3.45Å; E968-L987 VanDerWaalsContact CG-CD1 3.45Å; E968-L987 HydrophobicContact CG-CD2 3.62Å; E968-L987 HydrophobicContact CG-CG 4.08Å; E968-L987 WeakPolarHBondContact OE1-CD1 3.25Å; E968-L987 WeakPolarHBondContact OE1-CD2 3.37Å; E968-L987 WeakPolarHBondContact OE2-CD2 3.38Å; E969-L987 HydrophobicContact CG-CD1 3.91Å; L987-K989 PolarHBondContact O-N 3.04Å | ||
| 988 | N | 27.3 | Very low | 29 | Very low | 148.5 Ų | 148.5 | 137.4 Ų | 137.4 | 79% | 0.794 | 71% | 0.709 | S | S | * | * | trans | -41.9 | 117.4 | 152.6 | -73.8 | -51.9 | 0 | 0 | 0 | 115.3 | ||||
| 989 | K | 30.7 | Very low | 29 | Very low | 169.75 Ų | 169.75 | 137.9 Ų | 137.9 | 74% | 0.738 | 71% | 0.711 | S | S | * | * | trans | -140.3 | 111.3 | 151 | -105.2 | 177.2 | 176.2 | 175.5 | 0 | 111.4 | N966 H967 L987 | N966-K989 PolarHBondContact OD1-NZ 2.95Å; H967-K989 PolarHBondContact CD2-NZ 3.41Å; H967-K989 PolarHBondContact NE2-NZ 2.84Å; L987-K989 PolarHBondContact O-N 3.04Å | ||
| 990 | T | 28.4 | Very low | 29.1 | Very low | 125.75 Ų | 125.75 | 131.8 Ų | 131.8 | 77% | 0.771 | 70% | 0.7 | S | S | * | * | 111 | 119.2 | 114.9 | 49.6 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 991 | L | 30.8 | Very low | 29.3 | Very low | 149.5 Ų | 149.5 | 132.9 Ų | 132.9 | 78% | 0.783 | 70% | 0.701 | S | S | * | * | -171 | 149.2 | 60.7 | -154.4 | 72.2 | 0 | 0 | 0 | 110.6 | |||||
| 992 | E | 28.8 | Very low | 29.6 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 74% | 0.738 | 71% | 0.706 | S | S | * | * | -151 | 131.6 | 116.9 | -110.4 | 163.9 | 174.9 | 0 | 0 | 112 | Y995 | E992-Y995 PolarHBondContact OE1-OH 2.84Š| |||
| 993 | S | 29.1 | Very low | 29.8 | Very low | 89.25 Ų | 89.25 | 136.2 Ų | 136.2 | 62% | 0.624 | 70% | 0.704 | S | S | * | * | trans | -169.6 | 170.1 | 132.5 | 58.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 994 | S | 32.3 | Very low | 30 | Very low | 84.25 Ų | 84.25 | 133.4 Ų | 133.4 | 59% | 0.589 | 70% | 0.695 | S | S | * | * | cis | -166.2 | 154.4 | 38.1 | 17.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 995 | Y | 28.7 | Very low | 30.2 | Very low | 179.75 Ų | 179.75 | 135.1 Ų | 135.1 | 71% | 0.705 | 70% | 0.7 | S | S | * | * | 135.8 | 154.1 | 85.8 | -80.1 | -66.7 | 0 | 0 | 0 | 114.7 | E207 E992 I997 | E207-Y995 CarbonylContact O-C 3.57Å; E207-Y995 PolarHBondContact O-N 3.26Å; E992-Y995 PolarHBondContact OE1-OH 2.84Å; Y995-I997 HydrophobicContact CD1-CB 4.48Å; Y995-I997 HydrophobicContact CD1-CD1 3.59Å; Y995-I997 HydrophobicContact CD1-CG1 3.97Å; Y995-I997 HydrophobicContact CE1-CD1 3.97Å | |||
| 996 | V | 29.7 | Very low | 30.7 | Very low | 114.25 Ų | 114.25 | 132.1 Ų | 132.1 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | cis | 138.5 | 159.3 | 39 | 160.4 | 0 | 0 | 0 | 0 | 115.1 | Y209 | Y209-V996 HydrophobicContact CD2-CG1 3.7Å; Y209-V996 HydrophobicContact CE2-CG1 3.78Å | ||
| 997 | I | 28.6 | Very low | 30.8 | Very low | 109.75 Ų | 109.75 | 129.6 Ų | 129.6 | 56% | 0.563 | 70% | 0.703 | S | S | * | * | trans | -136.1 | 143.7 | -170.8 | -68 | 172.7 | 0 | 0 | 0 | 113.5 | D208 Y209 I210 Y995 | D208-I997 VanDerWaalsContact CG-C 3.46Å; D208-I997 VanDerWaalsContact OD1-O 3.06Å; D208-I997 WeakPolarHBondContact OD2-CA 3.49Å; D208-I997 PolarHBondContact OD2-N 3.49Å; D208-I997 VanDerWaalsContact OD2-O 3.13Å; Y209-I997 HydrophobicContact CD2-CG1 3.93Å; Y209-I997 HydrophobicContact CE2-CD1 3.9Å; Y209-I997 HydrophobicContact CE2-CG1 3.54Å; I210-I997 PolarHBondContact N-O 3.13Å; Y995-I997 HydrophobicContact CD1-CB 4.48Å; Y995-I997 HydrophobicContact CD1-CD1 3.59Å; Y995-I997 HydrophobicContact CD1-CG1 3.97Å; Y995-I997 HydrophobicContact CE1-CD1 3.97Å | ||
| 998 | D | 30.9 | Very low | 31 | Very low | 118.5 Ų | 118.5 | 129.8 Ų | 129.8 | 63% | 0.634 | 71% | 0.709 | S | S | * | * | 176.8 | 158.7 | 71 | -122.3 | -7.1 | 0 | 0 | 0 | 119.7 | S1000 | D998-S1000 PolarHBondContact O-N 3.15Š| |||
| 999 | N | 30.6 | Very low | 31.1 | Very low | 129.5 Ų | 129.5 | 130 Ų | 130 | 69% | 0.693 | 71% | 0.71 | S | S | * | * | trans | -9.1 | 137.6 | 158 | -71.1 | -56.6 | 0 | 0 | 0 | 119.1 | ||||
| 1000 | S | 30.9 | Very low | 31 | Very low | 88 Ų | 88 | 127.9 Ų | 127.9 | 62% | 0.615 | 71% | 0.711 | S | S | * | * | 134.6 | 158 | 69.6 | 65.2 | 0 | 0 | 0 | 0 | 116.5 | D998 | D998-S1000 PolarHBondContact O-N 3.15Š| |||
| 1001 | Q | 34.5 | Very low | 31 | Very low | 167.4 Ų | 167.4 | 127 Ų | 127 | 78% | 0.782 | 71% | 0.71 | S | S | * | * | trans | 90.7 | 125.2 | 147.7 | -63.2 | -168.1 | 48.2 | 0 | 0 | 117 | ||||
| 1002 | N | 31.9 | Very low | 30.9 | Very low | 128.8 Ų | 128.8 | 129.2 Ų | 129.2 | 69% | 0.689 | 71% | 0.713 | S | S | * | * | cis | 152.6 | 162.2 | 29.9 | -120 | -25.6 | 0 | 0 | 0 | 114.7 | ||||
| 1003 | L | 33.3 | Very low | 30.8 | Very low | 132.2 Ų | 132.2 | 126.3 Ų | 126.3 | 69% | 0.692 | 71% | 0.71 | S | S | * | * | trans | 76.4 | 112.3 | 136.7 | -74.4 | 162.5 | 0 | 0 | 0 | 119.1 | ||||
| 1004 | N | 35.4 | Very low | 30.9 | Very low | 132.2 Ų | 132.2 | 127.4 Ų | 127.4 | 71% | 0.707 | 71% | 0.713 | S | S | * | * | 85.2 | 123.4 | 126.5 | -60.7 | -15.4 | 0 | 0 | 0 | 119.8 | |||||
| 1005 | N | 32.3 | Very low | 30.7 | Very low | 149.8 Ų | 149.8 | 132.3 Ų | 132.3 | 80% | 0.801 | 72% | 0.72 | S | S | * | * | 177.2 | 145.1 | 113.4 | -101.3 | -13.1 | 0 | 0 | 0 | 116 | S1007 | N1005-S1007 VanDerWaalsContact CG-CB 3.5Å; N1005-S1007 VanDerWaalsContact OD1-CA 3.31Å; N1005-S1007 WeakPolarHBondContact OD1-CA 3.38Å; N1005-S1007 PolarHBondContact OD1-N 3.01Å | |||
| 1006 | P | 36.5 | Very low | 30.7 | Very low | 117.4 Ų | 117.4 | 133.9 Ų | 133.9 | 76% | 0.762 | 73% | 0.727 | S | S | * | * | trans | -120.2 | 137.3 | -168.7 | 37.2 | -26.5 | 0 | 0 | 0 | 114.6 | ||||
| 1007 | S | 29.7 | Very low | 30.7 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | 152 | 122.4 | 142.2 | 67.3 | 0 | 0 | 0 | 0 | 116 | N1005 | N1005-S1007 VanDerWaalsContact CG-CB 3.5Å; N1005-S1007 VanDerWaalsContact OD1-CA 3.31Å; N1005-S1007 WeakPolarHBondContact OD1-CA 3.38Å; N1005-S1007 PolarHBondContact OD1-N 3.01Å | ||
| 1008 | V | 30.8 | Very low | 30.7 | Very low | 128.8 Ų | 128.8 | 139.3 Ų | 139.3 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | trans | 107.7 | 121.2 | 145.1 | 176.2 | 0 | 0 | 0 | 0 | 114.3 | V1010 | V1008-V1010 HydrophobicContact CB-CG2 4.33Å; V1008-V1010 HydrophobicContact CG1-CB 3.98Å; V1008-V1010 HydrophobicContact CG1-CG2 3.95Å; V1008-V1010 HydrophobicContact CG2-CG2 4.45Å | ||
| 1009 | N | 28.5 | Very low | 30.6 | Very low | 152.6 Ų | 152.6 | 141.7 Ų | 141.7 | 82% | 0.816 | 75% | 0.748 | S | S | * | * | trans | -106.9 | 133.2 | 157.5 | -81.8 | -36.1 | 0 | 0 | 0 | 112.3 | ||||
| 1010 | V | 29.5 | Very low | 30.5 | Very low | 126.8 Ų | 126.8 | 140.2 Ų | 140.2 | 77% | 0.768 | 75% | 0.748 | S | S | * | * | 87.9 | 119.7 | 126.7 | 179.4 | 0 | 0 | 0 | 0 | 114.1 | V1008 | V1008-V1010 HydrophobicContact CB-CG2 4.33Å; V1008-V1010 HydrophobicContact CG1-CB 3.98Å; V1008-V1010 HydrophobicContact CG1-CG2 3.95Å; V1008-V1010 HydrophobicContact CG2-CG2 4.45Å | |||
| 1011 | S | 28.9 | Very low | 30.3 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | -137.1 | 144.1 | 154.5 | -65.2 | 0 | 0 | 0 | 0 | 112.2 | S1013 | S1011-S1013 PolarHBondContact O-N 2.91Š| ||
| 1012 | K | 28.3 | Very low | 30.1 | Very low | 194.6 Ų | 194.6 | 139.1 Ų | 139.1 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | trans | -92.9 | 125.1 | 170.9 | -73 | 173.7 | -179.5 | 175.7 | 0 | 111.5 | ||||
| 1013 | S | 27.3 | Very low | 29.9 | Very low | 96.8 Ų | 96.8 | 138.2 Ų | 138.2 | 68% | 0.677 | 76% | 0.758 | S | S | * | * | trans | -107.5 | 112.6 | 149.4 | 102.3 | 0 | 0 | 0 | 0 | 113.3 | S1011 Y1015 | S1011-S1013 PolarHBondContact O-N 2.91Å; S1013-Y1015 PolarHBondContact O-N 2.86Å; S1013-Y1015 VanDerWaalsContact O-N 3.08Å; S1013-Y1015 WeakPolarHBondContact OG-CE2 3.49Å | ||
| 1014 | T | 30 | Very low | 29.6 | Very low | 113.2 Ų | 113.2 | 136.5 Ų | 136.5 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | trans | -73.6 | 122 | 143 | -25.6 | 0 | 0 | 0 | 0 | 113.6 | Y1016 | T1014-Y1016 HydrophobicContact CG2-CD2 4.16Å; T1014-Y1016 HydrophobicContact CG2-CE2 4.4Å; T1014-Y1016 PolarHBondContact O-N 3.27Å | ||
| 1015 | Y | 28.3 | Very low | 29.4 | Very low | 187.4 Ų | 187.4 | 136.1 Ų | 136.1 | 74% | 0.735 | 76% | 0.762 | S | S | * | * | trans | 1.1 | 124.4 | 168.6 | -75 | -95.1 | 0 | 0 | 0 | 114.3 | S1013 R1017 E1829 | S1013-Y1015 PolarHBondContact O-N 2.86Å; S1013-Y1015 VanDerWaalsContact O-N 3.08Å; S1013-Y1015 WeakPolarHBondContact OG-CE2 3.49Å; Y1015-R1017 VanDerWaalsContact CD1-CD 3.46Å; Y1015-R1017 HydrophobicContact CD1-CG 4.45Å; Y1015-R1017 VanDerWaalsContact CE1-NH1 3.33Å; Y1015-R1017 VanDerWaalsContact CZ-NH1 3.31Å; Y1015-R1017 PolarHBondContact O-N 3.11Å; Y1015-E1829 PolarHBondContact OH-OE1 3.23Å; Y1015-E1829 PolarHBondContact OH-OE2 2.98Å | ||
| 1016 | Y | 28.8 | Very low | 29.3 | Very low | 213.2 Ų | 213.2 | 137.7 Ų | 137.7 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | trans | -80.4 | 125.4 | 134.3 | -100.5 | -96.3 | 0 | 0 | 0 | 112.9 | T1014 | T1014-Y1016 HydrophobicContact CG2-CD2 4.16Å; T1014-Y1016 HydrophobicContact CG2-CE2 4.4Å; T1014-Y1016 PolarHBondContact O-N 3.27Å | ||
| 1017 | R | 30 | Very low | 28.9 | Very low | 205.8 Ų | 205.8 | 139.8 Ų | 139.8 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | trans | -142.6 | 128.4 | 135.8 | -120.3 | -177.8 | -169.3 | 153.1 | 2.7 | 112.2 | Y1015 I1019 | Y1015-R1017 VanDerWaalsContact CD1-CD 3.46Å; Y1015-R1017 HydrophobicContact CD1-CG 4.45Å; Y1015-R1017 VanDerWaalsContact CE1-NH1 3.33Å; Y1015-R1017 VanDerWaalsContact CZ-NH1 3.31Å; Y1015-R1017 PolarHBondContact O-N 3.11Å; R1017-I1019 PolarHBondContact O-N 3.32Å; R1017-I1019 VanDerWaalsContact O-N 3.16Å | ||
| 1018 | D | 27.9 | Very low | 28.9 | Very low | 130.6 Ų | 130.6 | 140.9 Ų | 140.9 | 70% | 0.698 | 77% | 0.767 | S | S | * | * | trans | -104.1 | 122.4 | -175.4 | -67 | -65.9 | 0 | 0 | 0 | 110.4 | S1020 | D1018-S1020 PolarHBondContact O-N 2.88Å; D1018-S1020 VanDerWaalsContact O-N 3.15Å | ||
| 1019 | I | 29.2 | Very low | 29 | Very low | 169 Ų | 169 | 144.3 Ų | 144.3 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | -117.3 | 72.1 | 157.7 | -53.8 | -177.3 | 0 | 0 | 0 | 107.9 | R1017 C1021 | R1017-I1019 PolarHBondContact O-N 3.32Å; R1017-I1019 VanDerWaalsContact O-N 3.16Å; I1019-C1021 PolarHBondContact O-N 2.88Å | ||
| 1020 | S | 28.4 | Very low | 29.1 | Very low | 97.8 Ų | 97.8 | 140 Ų | 140 | 68% | 0.684 | 76% | 0.763 | S | S | * | * | trans | -69.8 | 130.1 | 161 | 11.5 | 0 | 0 | 0 | 0 | 111.2 | D1018 | D1018-S1020 PolarHBondContact O-N 2.88Å; D1018-S1020 VanDerWaalsContact O-N 3.15Å | ||
| 1021 | C | 27.3 | Very low | 29.3 | Very low | 103.4 Ų | 103.4 | 145.1 Ų | 145.1 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | -19 | 136 | 172.7 | -61.4 | 0 | 0 | 0 | 0 | 114.5 | I1019 S1023 | I1019-C1021 PolarHBondContact O-N 2.88Å; C1021-S1023 PolarHBondContact O-N 3.29Å; C1021-S1023 VanDerWaalsContact O-N 3.13Å | ||
| 1022 | P | 28.9 | Very low | 29.3 | Very low | 129.8 Ų | 129.8 | 144.5 Ų | 144.5 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 111.9 | 166.7 | 27.7 | -34.1 | 0 | 0 | 0 | 110.1 | S1024 | P1022-S1024 PolarHBondContact O-N 3.02Å; P1022-S1024 VanDerWaalsContact O-N 3.12Å |
| 1023 | S | 28.4 | Very low | 29.6 | Very low | 109.6 Ų | 109.6 | 142.1 Ų | 142.1 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 119.7 | -175.8 | -69.8 | 0 | 0 | 0 | 0 | 111.4 | C1021 P1025 | C1021-S1023 PolarHBondContact O-N 3.29Å; C1021-S1023 VanDerWaalsContact O-N 3.13Å; S1023-P1025 WeakPolarHBondContact O-CD 3.47Å |
| 1024 | S | 27.2 | Very low | 29.8 | Very low | 96.4 Ų | 96.4 | 144.9 Ų | 144.9 | 67% | 0.674 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -45.5 | 127.7 | 171.9 | -10.6 | 0 | 0 | 0 | 0 | 112.3 | P1022 K1026 | P1022-S1024 PolarHBondContact O-N 3.02Å; P1022-S1024 VanDerWaalsContact O-N 3.12Å; S1024-K1026 VanDerWaalsContact C-N 3.35Å; S1024-K1026 PolarHBondContact O-N 3Å |
| 1025 | P | 30.5 | Very low | 29.9 | Very low | 123.4 Ų | 123.4 | 146.2 Ų | 146.2 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | trans | -68.8 | 117.2 | 176.8 | 28 | -33.7 | 0 | 0 | 0 | 110.7 | S1023 I1027 | S1023-P1025 WeakPolarHBondContact O-CD 3.47Å; P1025-I1027 VanDerWaalsContact C-N 3.3Å; P1025-I1027 PolarHBondContact O-N 3.21Å | ||
| 1026 | K | 30.2 | Very low | 30 | Very low | 183.6 Ų | 183.6 | 143 Ų | 143 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | trans | -94.3 | 115.2 | 170.6 | -77.7 | 171.3 | -177.2 | 174.4 | 0 | 110.4 | S1024 V1028 | S1024-K1026 VanDerWaalsContact C-N 3.35Å; S1024-K1026 PolarHBondContact O-N 3Å; K1026-V1028 VanDerWaalsContact C-N 3.3Å; K1026-V1028 PolarHBondContact O-N 2.86Å | ||
| 1027 | I | 28.8 | Very low | 30 | Very low | 161.4 Ų | 161.4 | 137.8 Ų | 137.8 | 83% | 0.828 | 77% | 0.774 | S | S | * | * | trans | -41.8 | 107.4 | 159.5 | -57 | 168.3 | 0 | 0 | 0 | 109.4 | P1025 | P1025-I1027 VanDerWaalsContact C-N 3.3Å; P1025-I1027 PolarHBondContact O-N 3.21Å | ||
| 1028 | V | 30.5 | Very low | 30.2 | Very low | 127.8 Ų | 127.8 | 137.3 Ų | 137.3 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | -89.5 | 128.8 | 128.3 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | K1026 | K1026-V1028 VanDerWaalsContact C-N 3.3Å; K1026-V1028 PolarHBondContact O-N 2.86Å | |||
| 1029 | K | 31.9 | Very low | 30.3 | Very low | 200.6 Ų | 200.6 | 138.4 Ų | 138.4 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | -96 | 125.5 | 166 | -84.3 | 175.9 | 178.1 | 179.2 | 0 | 112.6 | ||||
| 1030 | G | 30.5 | Very low | 30.4 | Very low | 62 Ų | 62 | 139.2 Ų | 139.2 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | trans | 140.7 | 131.3 | 150.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1031 | Y | 33.3 | Very low | 30.7 | Very low | 233.4 Ų | 233.4 | 139.2 Ų | 139.2 | 92% | 0.915 | 78% | 0.784 | S | S | * | * | -178.4 | 148.7 | 107.4 | -90.9 | -85.4 | 0 | 0 | 0 | 112.3 | |||||
| 1032 | S | 30.1 | Very low | 31 | Very low | 94.6 Ų | 94.6 | 143.2 Ų | 143.2 | 66% | 0.662 | 79% | 0.792 | S | S | * | * | trans | -113.3 | 163.2 | 171 | -78.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1033 | D | 33.6 | Very low | 31.3 | Very low | 143.8 Ų | 143.8 | 142.6 Ų | 142.6 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | 170.8 | 140 | 118.7 | -82 | -22.1 | 0 | 0 | 0 | 112.7 | |||||
| 1034 | D | 31.4 | Very low | 31.9 | Very low | 155.8 Ų | 155.8 | 143.9 Ų | 143.9 | 83% | 0.833 | 79% | 0.79 | S | S | * | * | trans | 44.3 | 112.4 | 156.4 | -63.9 | -27 | 0 | 0 | 0 | 121.6 | ||||
| 1035 | V | 32.6 | Very low | 32.7 | Very low | 139.8 Ų | 139.8 | 147 Ų | 147 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | trans | -151.1 | 128.6 | 152.7 | -176.8 | 0 | 0 | 0 | 0 | 110.4 | S1037 | V1035-S1037 PolarHBondContact O-N 2.6Š| ||
| 1036 | P | 31.3 | Very low | 34.2 | Very low | 120.4 Ų | 120.4 | 144 Ų | 144 | 78% | 0.782 | 77% | 0.773 | S | S | * | * | trans | -91.4 | 152.8 | -160.7 | 35.2 | -37 | 0 | 0 | 0 | 115.4 | K1038 | P1036-K1038 PolarHBondContact O-N 3.39Š| ||
| 1037 | S | 28.8 | Very low | 35.6 | Very low | 104.4 Ų | 104.4 | 138.7 Ų | 138.7 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | trans | -54.7 | 136.6 | 177.1 | 55.6 | 0 | 0 | 0 | 0 | 115.6 | V1035 N1039 | V1035-S1037 PolarHBondContact O-N 2.6Å; S1037-N1039 PolarHBondContact O-N 2.97Å; S1037-N1039 VanDerWaalsContact O-N 3.14Å | ||
| 1038 | K | 33.7 | Very low | 37.4 | Very low | 194.8 Ų | 194.8 | 135.5 Ų | 135.5 | 85% | 0.847 | 75% | 0.745 | S | S | * | * | trans | -114.6 | 132.2 | 152.4 | -77 | -174.4 | 176.4 | 179.7 | 0 | 109.3 | P1036 E1040 | P1036-K1038 PolarHBondContact O-N 3.39Å; K1038-E1040 PolarHBondContact O-N 3.04Å | ||
| 1039 | N | 28.8 | Very low | 39.3 | Very low | 155.4 Ų | 155.4 | 134 Ų | 134 | 83% | 0.831 | 73% | 0.73 | S | S | * | * | trans | -79.6 | 117.7 | 172.9 | -62.8 | -17.7 | 0 | 0 | 0 | 109 | S1037 S1041 | S1037-N1039 PolarHBondContact O-N 2.97Å; S1037-N1039 VanDerWaalsContact O-N 3.14Å; N1039-S1041 PolarHBondContact O-N 2.95Å | ||
| 1040 | E | 32.8 | Very low | 41.2 | Very low | 186 Ų | 186 | 129.5 Ų | 129.5 | 87% | 0.869 | 71% | 0.712 | S | S | * | * | trans | -103.7 | 128.8 | 159.5 | -71.5 | -168.1 | 146.7 | 0 | 0 | 108.9 | K1038 Q1042 | K1038-E1040 PolarHBondContact O-N 3.04Å; E1040-Q1042 PolarHBondContact O-N 2.86Å | ||
| 1041 | S | 33.2 | Very low | 43.2 | Very low | 96.8 Ų | 96.8 | 131.1 Ų | 131.1 | 68% | 0.677 | 71% | 0.705 | S | S | * | * | trans | -79.9 | 121.6 | -173.8 | 48.4 | 0 | 0 | 0 | 0 | 111.3 | N1039 T1043 | N1039-S1041 PolarHBondContact O-N 2.95Å; S1041-T1043 VanDerWaalsContact C-N 3.27Å; S1041-T1043 PolarHBondContact O-N 2.9Å | ||
| 1042 | Q | 33.8 | Very low | 45 | Very low | 187.2 Ų | 187.2 | 125.3 Ų | 125.3 | 88% | 0.875 | 69% | 0.685 | S | S | * | * | trans | -65.9 | 107.4 | 166.5 | -75.5 | -178.2 | -28.1 | 0 | 0 | 110.3 | E1040 T1044 | E1040-Q1042 PolarHBondContact O-N 2.86Å; Q1042-T1044 PolarHBondContact O-N 3.02Å; Q1042-T1044 PolarHBondContact O-OG1 3.03Å | ||
| 1043 | T | 36.2 | Very low | 47 | Very low | 117 Ų | 117 | 124.8 Ų | 124.8 | 72% | 0.718 | 67% | 0.672 | S | S | * | * | trans | -61.9 | 109.3 | 167.4 | 46 | 0 | 0 | 0 | 0 | 110.7 | S1041 F1045 | S1041-T1043 VanDerWaalsContact C-N 3.27Å; S1041-T1043 PolarHBondContact O-N 2.9Å; T1043-F1045 VanDerWaalsContact C-N 3.27Å; T1043-F1045 WeakPolarHBondContact O-CD2 3.39Å; T1043-F1045 PolarHBondContact O-N 3.3Å; T1043-F1045 VanDerWaalsContact O-N 3.08Å | ||
| 1044 | T | 39.9 | Very low | 48.8 | Very low | 136.8 Ų | 136.8 | 121.7 Ų | 121.7 | 84% | 0.839 | 66% | 0.655 | S | S | * | * | trans | -67.4 | 112.5 | 172.1 | 35.8 | 0 | 0 | 0 | 0 | 109.7 | Q1042 S1046 | Q1042-T1044 PolarHBondContact O-N 3.02Å; Q1042-T1044 PolarHBondContact O-OG1 3.03Å; T1044-S1046 PolarHBondContact O-N 3.35Å; T1044-S1046 VanDerWaalsContact O-N 3.08Å | ||
| 1045 | F | 44.6 | Very low | 50.7 | Low | 162.6 Ų | 162.6 | 119.3 Ų | 119.3 | 71% | 0.713 | 63% | 0.634 | S | S | * | * | trans | -54.3 | 131.9 | 174 | -85.1 | -85.5 | 0 | 0 | 0 | 111 | T1043 E1049 | T1043-F1045 VanDerWaalsContact C-N 3.27Å; T1043-F1045 WeakPolarHBondContact O-CD2 3.39Å; T1043-F1045 PolarHBondContact O-N 3.3Å; T1043-F1045 VanDerWaalsContact O-N 3.08Å; F1045-E1049 HydrophobicContact CD1-CB 4.26Å; F1045-E1049 HydrophobicContact CD1-CG 3.8Å; F1045-E1049 HydrophobicContact CE1-CG 4.19Å | ||
| 1046 | S | 61.9 | Low | 52.5 | Low | 58.8 Ų | 58.8 | 117.4 Ų | 117.4 | 41% | 0.411 | 62% | 0.618 | S | S | . | * | trans | -70.9 | 146.2 | 174.7 | 178.9 | 0 | 0 | 0 | 0 | 110.7 | T1044 E1048 E1049 H1050 | T1044-S1046 PolarHBondContact O-N 3.35Å; T1044-S1046 VanDerWaalsContact O-N 3.08Å; S1046-E1048 PolarHBondContact O-N 3.13Å; S1046-E1048 VanDerWaalsContact O-N 3.13Å; S1046-E1048 WeakPolarHBondContact OG-CB 3.4Å; S1046-E1048 PolarHBondContact OG-N 2.99Å; S1046-E1049 WeakPolarHBondContact CB-OE2 3.39Å; S1046-E1049 PolarHBondContact N-OE2 3.16Å; S1046-E1049 VanDerWaalsContact N-OE2 3.12Å; S1046-E1049 CarbonylContact O-C 3.55Å; S1046-E1049 WeakPolarHBondContact O-CA 3.49Å; S1046-E1049 WeakPolarHBondContact O-CB 3.41Å; S1046-E1049 PolarHBondContact O-N 3.16Å; S1046-E1049 VanDerWaalsContact O-N 3.17Å; S1046-H1050 PolarHBondContact O-N 2.96Å | ||
| 1047 | A | 60.1 | Low | 54.3 | Low | 73 Ų | 73 | 119.9 Ų | 119.9 | 60% | 0.603 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -56.7 | -28.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1049 L1051 | A1047-E1049 VanDerWaalsContact C-N 3.34Å; A1047-L1051 VanDerWaalsContact O-CB 3.3Å; A1047-L1051 WeakPolarHBondContact O-CB 3.42Å; A1047-L1051 VanDerWaalsContact O-CG 3.28Å; A1047-L1051 WeakPolarHBondContact O-CG 3.41Å; A1047-L1051 PolarHBondContact O-N 3.25Å; A1047-L1051 VanDerWaalsContact O-N 3.08Å |
| 1048 | E | 66 | Low | 56.1 | Low | 94.4 Ų | 94.4 | 117.6 Ų | 117.6 | 44% | 0.441 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -69.8 | -33.8 | 175.2 | -166.8 | 134.4 | -162.4 | 0 | 0 | 112.5 | S1046 L1051 K1052 R1055 Y1066 S1068 | S1046-E1048 PolarHBondContact O-N 3.13Å; S1046-E1048 VanDerWaalsContact O-N 3.13Å; S1046-E1048 WeakPolarHBondContact OG-CB 3.4Å; S1046-E1048 PolarHBondContact OG-N 2.99Å; E1048-L1051 PolarHBondContact O-N 3.3Å; E1048-K1052 WeakPolarHBondContact O-CB 3.4Å; E1048-K1052 WeakPolarHBondContact O-CG 3.43Å; E1048-K1052 PolarHBondContact O-N 2.99Å; E1048-K1052 WeakPolarHBondContact OE1-CE 3.38Å; E1048-K1052 IonicContact OE1-NZ 2.72Å; E1048-K1052 PolarHBondContact OE1-NZ 3.43Å; E1048-R1055 IonicContact OE1-CZ 3.91Å; E1048-R1055 IonicContact OE1-NH1 2.88Å; E1048-R1055 PolarHBondContact OE1-NH1 2.87Å; E1048-R1055 IonicContact OE1-NH2 3.06Å; E1048-R1055 PolarHBondContact OE1-NH2 2.87Å; E1048-Y1066 HydrophobicContact CG-CE2 4.47Å; E1048-Y1066 WeakPolarHBondContact OE1-CE2 3.28Å; E1048-S1068 PolarHBondContact OE1-OG 3.44Å; E1048-S1068 VanDerWaalsContact OE1-OG 3.09Å |
| 1049 | E | 71 | Confident | 57.2 | Low | 95.4 Ų | 95.4 | 111.4 Ų | 111.4 | 45% | 0.446 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -73.2 | -41.9 | 176.2 | -80.4 | 172.1 | 139.2 | 0 | 0 | 111.1 | F1045 S1046 A1047 L1051 K1052 E1053 | F1045-E1049 HydrophobicContact CD1-CB 4.26Å; F1045-E1049 HydrophobicContact CD1-CG 3.8Å; F1045-E1049 HydrophobicContact CE1-CG 4.19Å; S1046-E1049 WeakPolarHBondContact CB-OE2 3.39Å; S1046-E1049 PolarHBondContact N-OE2 3.16Å; S1046-E1049 VanDerWaalsContact N-OE2 3.12Å; S1046-E1049 CarbonylContact O-C 3.55Å; S1046-E1049 WeakPolarHBondContact O-CA 3.49Å; S1046-E1049 WeakPolarHBondContact O-CB 3.41Å; S1046-E1049 PolarHBondContact O-N 3.16Å; S1046-E1049 VanDerWaalsContact O-N 3.17Å; A1047-E1049 VanDerWaalsContact C-N 3.34Å; E1049-L1051 VanDerWaalsContact C-N 3.3Å; E1049-L1051 PolarHBondContact O-N 2.96Å; E1049-K1052 CarbonylContact O-C 3.57Å; E1049-K1052 WeakPolarHBondContact O-CA 3.47Å; E1049-K1052 VanDerWaalsContact O-CB 3.23Å; E1049-K1052 WeakPolarHBondContact O-CB 3.29Å; E1049-K1052 PolarHBondContact O-N 3.19Å; E1049-K1052 VanDerWaalsContact O-N 3.11Å; E1049-E1053 WeakPolarHBondContact O-CB 3.44Å; E1049-E1053 PolarHBondContact O-N 3.11Å |
| 1050 | H | 71.3 | Confident | 58.7 | Low | 107.4 Ų | 107.4 | 109.3 Ų | 109.3 | 50% | 0.497 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.9 | -37.4 | 173.3 | -158.9 | -174.2 | 0 | 0 | 0 | 111.3 | S1046 K1052 E1053 L1054 | S1046-H1050 PolarHBondContact O-N 2.96Å; H1050-K1052 VanDerWaalsContact C-N 3.31Å; H1050-K1052 PolarHBondContact O-N 2.9Å; H1050-E1053 PolarHBondContact O-N 3.27Å; H1050-L1054 WeakPolarHBondContact O-CB 3.36Å; H1050-L1054 WeakPolarHBondContact O-CD1 3.49Å; H1050-L1054 VanDerWaalsContact O-CG 3.27Å; H1050-L1054 WeakPolarHBondContact O-CG 3.37Å; H1050-L1054 PolarHBondContact O-N 3.28Å |
| 1051 | L | 72.7 | Confident | 59.9 | Low | 94.8 Ų | 94.8 | 102.3 Ų | 102.3 | 50% | 0.496 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.9 | -31.6 | 171.4 | -78.3 | 168.9 | 0 | 0 | 0 | 113.4 | A1047 E1048 E1049 L1054 R1055 | A1047-L1051 VanDerWaalsContact O-CB 3.3Å; A1047-L1051 WeakPolarHBondContact O-CB 3.42Å; A1047-L1051 VanDerWaalsContact O-CG 3.28Å; A1047-L1051 WeakPolarHBondContact O-CG 3.41Å; A1047-L1051 PolarHBondContact O-N 3.25Å; A1047-L1051 VanDerWaalsContact O-N 3.08Å; E1048-L1051 PolarHBondContact O-N 3.3Å; E1049-L1051 VanDerWaalsContact C-N 3.3Å; E1049-L1051 PolarHBondContact O-N 2.96Å; L1051-L1054 PolarHBondContact O-N 3.35Å; L1051-R1055 WeakPolarHBondContact O-CB 3.37Å; L1051-R1055 WeakPolarHBondContact O-CD 3.14Å; L1051-R1055 VanDerWaalsContact O-CG 3.23Å; L1051-R1055 WeakPolarHBondContact O-CG 3.37Å; L1051-R1055 PolarHBondContact O-N 3.19Å; L1051-R1055 VanDerWaalsContact O-N 3.14Å; L1051-R1055 PolarHBondContact O-NH1 2.85Å |
| 1052 | K | 70.7 | Confident | 60.7 | Low | 112.6 Ų | 112.6 | 102.5 Ų | 102.5 | 49% | 0.49 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.3 | -45.5 | 172.6 | -137.3 | -179.1 | -177.5 | 176.7 | 0 | 110.9 | E1048 E1049 H1050 L1054 R1055 I1056 Y1066 | E1048-K1052 WeakPolarHBondContact O-CB 3.4Å; E1048-K1052 WeakPolarHBondContact O-CG 3.43Å; E1048-K1052 PolarHBondContact O-N 2.99Å; E1048-K1052 WeakPolarHBondContact OE1-CE 3.38Å; E1048-K1052 IonicContact OE1-NZ 2.72Å; E1048-K1052 PolarHBondContact OE1-NZ 3.43Å; E1049-K1052 CarbonylContact O-C 3.57Å; E1049-K1052 WeakPolarHBondContact O-CA 3.47Å; E1049-K1052 VanDerWaalsContact O-CB 3.23Å; E1049-K1052 WeakPolarHBondContact O-CB 3.29Å; E1049-K1052 PolarHBondContact O-N 3.19Å; E1049-K1052 VanDerWaalsContact O-N 3.11Å; H1050-K1052 VanDerWaalsContact C-N 3.31Å; H1050-K1052 PolarHBondContact O-N 2.9Å; K1052-L1054 PolarHBondContact O-N 3.32Å; K1052-R1055 WeakPolarHBondContact O-CA 3.32Å; K1052-R1055 WeakPolarHBondContact O-CB 3.39Å; K1052-R1055 PolarHBondContact O-N 3.03Å; K1052-R1055 VanDerWaalsContact O-N 3.09Å; K1052-I1056 HydrophobicContact CG-CD1 4.27Å; K1052-I1056 WeakPolarHBondContact O-CD1 3.27Å; K1052-I1056 VanDerWaalsContact O-CG1 3.26Å; K1052-I1056 WeakPolarHBondContact O-CG1 3.39Å; K1052-I1056 PolarHBondContact O-N 3.02Å; K1052-Y1066 VanDerWaalsContact CD-OH 3.23Å; K1052-Y1066 WeakPolarHBondContact CD-OH 3.37Å; K1052-Y1066 WeakPolarHBondContact CE-OH 3.48Å; K1052-Y1066 PolarHBondContact NZ-OH 3.17Å |
| 1053 | E | 72.4 | Confident | 61.4 | Low | 82.8 Ų | 82.8 | 99 Ų | 99 | 39% | 0.387 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 176.2 | -170.2 | 95.8 | -175.1 | 0 | 0 | 111.7 | E1049 H1050 R1055 I1056 R1057 | E1049-E1053 WeakPolarHBondContact O-CB 3.44Å; E1049-E1053 PolarHBondContact O-N 3.11Å; H1050-E1053 PolarHBondContact O-N 3.27Å; E1053-R1055 VanDerWaalsContact C-N 3.35Å; E1053-R1055 PolarHBondContact O-N 3.11Å; E1053-I1056 PolarHBondContact O-N 3.16Å; E1053-R1057 VanDerWaalsContact CD-NH2 3.28Å; E1053-R1057 VanDerWaalsContact O-CB 3.29Å; E1053-R1057 WeakPolarHBondContact O-CB 3.35Å; E1053-R1057 WeakPolarHBondContact O-CG 3.3Å; E1053-R1057 PolarHBondContact O-N 3.11Å; E1053-R1057 IonicContact OE1-CZ 3.37Å; E1053-R1057 IonicContact OE1-NE 3.23Å; E1053-R1057 PolarHBondContact OE1-NE 3.28Å; E1053-R1057 IonicContact OE1-NH1 3.59Å; E1053-R1057 PolarHBondContact OE1-NH1 2.99Å; E1053-R1057 IonicContact OE1-NH2 2.97Å; E1053-R1057 PolarHBondContact OE1-NH2 3.04Å; E1053-R1057 IonicContact OE2-CZ 3.66Å; E1053-R1057 IonicContact OE2-NE 3.98Å; E1053-R1057 IonicContact OE2-NH2 3.82Å; E1053-R1057 PolarHBondContact OE2-NH2 3.29Å |
| 1054 | L | 70.4 | Confident | 61.5 | Low | 80.4 Ų | 80.4 | 99 Ų | 99 | 42% | 0.421 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.1 | -35.6 | 173.9 | -73.8 | 168.4 | 0 | 0 | 0 | 112.7 | H1050 L1051 K1052 I1056 R1057 A1058 | H1050-L1054 WeakPolarHBondContact O-CB 3.36Å; H1050-L1054 WeakPolarHBondContact O-CD1 3.49Å; H1050-L1054 VanDerWaalsContact O-CG 3.27Å; H1050-L1054 WeakPolarHBondContact O-CG 3.37Å; H1050-L1054 PolarHBondContact O-N 3.28Å; L1051-L1054 PolarHBondContact O-N 3.35Å; K1052-L1054 PolarHBondContact O-N 3.32Å; L1054-I1056 VanDerWaalsContact C-N 3.33Å; L1054-I1056 PolarHBondContact O-N 3.08Å; L1054-R1057 PolarHBondContact O-N 3.01Å; L1054-A1058 VanDerWaalsContact O-CB 3.26Å; L1054-A1058 WeakPolarHBondContact O-CB 3.36Å; L1054-A1058 PolarHBondContact O-N 3.05Å |
| 1055 | R | 71.6 | Confident | 61.6 | Low | 105.2 Ų | 105.2 | 96.3 Ų | 96.3 | 40% | 0.397 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.3 | -46.6 | 173.2 | -92.6 | -179.2 | -177.8 | 108.5 | -0.4 | 111.5 | E1048 L1051 K1052 E1053 R1057 A1058 G1059 L1060 G1061 I1063 | E1048-R1055 IonicContact OE1-CZ 3.91Å; E1048-R1055 IonicContact OE1-NH1 2.88Å; E1048-R1055 PolarHBondContact OE1-NH1 2.87Å; E1048-R1055 IonicContact OE1-NH2 3.06Å; E1048-R1055 PolarHBondContact OE1-NH2 2.87Å; L1051-R1055 WeakPolarHBondContact O-CB 3.37Å; L1051-R1055 WeakPolarHBondContact O-CD 3.14Å; L1051-R1055 VanDerWaalsContact O-CG 3.23Å; L1051-R1055 WeakPolarHBondContact O-CG 3.37Å; L1051-R1055 PolarHBondContact O-N 3.19Å; L1051-R1055 VanDerWaalsContact O-N 3.14Å; L1051-R1055 PolarHBondContact O-NH1 2.85Å; K1052-R1055 WeakPolarHBondContact O-CA 3.32Å; K1052-R1055 WeakPolarHBondContact O-CB 3.39Å; K1052-R1055 PolarHBondContact O-N 3.03Å; K1052-R1055 VanDerWaalsContact O-N 3.09Å; E1053-R1055 VanDerWaalsContact C-N 3.35Å; E1053-R1055 PolarHBondContact O-N 3.11Å; R1055-R1057 VanDerWaalsContact C-N 3.3Å; R1055-R1057 PolarHBondContact O-N 3.33Å; R1055-A1058 CarbonylContact O-C 3.51Å; R1055-A1058 WeakPolarHBondContact O-CA 3.35Å; R1055-A1058 PolarHBondContact O-N 3.15Å; R1055-G1059 PolarHBondContact O-N 3.14Å; R1055-L1060 CarbonylContact C-O 3.56Å; R1055-L1060 HydrophobicContact CB-CB 4.36Å; R1055-L1060 WeakPolarHBondContact CB-O 3.48Å; R1055-L1060 WeakPolarHBondContact CD-O 3.22Å; R1055-L1060 HydrophobicContact CG-CB 3.98Å; R1055-L1060 HydrophobicContact CG-CD1 4.49Å; R1055-L1060 WeakPolarHBondContact CG-O 3Å; R1055-L1060 CarbonylContact O-C 3.49Å; R1055-L1060 WeakPolarHBondContact O-CA 3.46Å; R1055-L1060 PolarHBondContact O-N 3.11Å; R1055-G1061 WeakPolarHBondContact CD-O 3.48Å; R1055-G1061 PolarHBondContact NE-O 3.35Å; R1055-G1061 PolarHBondContact O-N 3.08Å; R1055-I1063 VanDerWaalsContact NH2-CD1 3.35Å; R1055-I1063 VanDerWaalsContact NH2-CG1 3.28Å |
| 1056 | I | 70.3 | Confident | 61 | Low | 99.4 Ų | 99.4 | 96.5 Ų | 96.5 | 51% | 0.51 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.6 | -48.4 | 177.4 | -68.2 | 163.7 | 0 | 0 | 0 | 110.2 | K1052 E1053 L1054 A1058 G1059 | K1052-I1056 HydrophobicContact CG-CD1 4.27Å; K1052-I1056 WeakPolarHBondContact O-CD1 3.27Å; K1052-I1056 VanDerWaalsContact O-CG1 3.26Å; K1052-I1056 WeakPolarHBondContact O-CG1 3.39Å; K1052-I1056 PolarHBondContact O-N 3.02Å; E1053-I1056 PolarHBondContact O-N 3.16Å; L1054-I1056 VanDerWaalsContact C-N 3.33Å; L1054-I1056 PolarHBondContact O-N 3.08Å; I1056-A1058 VanDerWaalsContact C-N 3.28Å; I1056-A1058 PolarHBondContact O-N 3.15Å; I1056-A1058 VanDerWaalsContact O-N 3.14Å; I1056-G1059 PolarHBondContact O-N 3.25Å; I1056-G1059 VanDerWaalsContact O-N 3.1Å |
| 1057 | R | 69.7 | Low | 59.7 | Low | 173.6 Ų | 173.6 | 102.4 Ų | 102.4 | 66% | 0.655 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.4 | -28.3 | 176.8 | -129.1 | 178.2 | -156.7 | 123.7 | 4.6 | 113.4 | K596 E1053 L1054 R1055 G1059 | K596-R1057 PolarHBondContact NZ-O 2.6Å; E1053-R1057 VanDerWaalsContact CD-NH2 3.28Å; E1053-R1057 VanDerWaalsContact O-CB 3.29Å; E1053-R1057 WeakPolarHBondContact O-CB 3.35Å; E1053-R1057 WeakPolarHBondContact O-CG 3.3Å; E1053-R1057 PolarHBondContact O-N 3.11Å; E1053-R1057 IonicContact OE1-CZ 3.37Å; E1053-R1057 IonicContact OE1-NE 3.23Å; E1053-R1057 PolarHBondContact OE1-NE 3.28Å; E1053-R1057 IonicContact OE1-NH1 3.59Å; E1053-R1057 PolarHBondContact OE1-NH1 2.99Å; E1053-R1057 IonicContact OE1-NH2 2.97Å; E1053-R1057 PolarHBondContact OE1-NH2 3.04Å; E1053-R1057 IonicContact OE2-CZ 3.66Å; E1053-R1057 IonicContact OE2-NE 3.98Å; E1053-R1057 IonicContact OE2-NH2 3.82Å; E1053-R1057 PolarHBondContact OE2-NH2 3.29Å; L1054-R1057 PolarHBondContact O-N 3.01Å; R1055-R1057 VanDerWaalsContact C-N 3.3Å; R1055-R1057 PolarHBondContact O-N 3.33Å; R1057-G1059 VanDerWaalsContact C-N 3.31Å; R1057-G1059 PolarHBondContact O-N 2.9Å |
| 1058 | A | 67.1 | Low | 58.4 | Low | 55.4 Ų | 55.4 | 103.4 Ų | 103.4 | 46% | 0.458 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.8 | -1.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K596 L1054 R1055 I1056 L1060 | K596-A1058 PolarHBondContact NZ-O 3.08Å; L1054-A1058 VanDerWaalsContact O-CB 3.26Å; L1054-A1058 WeakPolarHBondContact O-CB 3.36Å; L1054-A1058 PolarHBondContact O-N 3.05Å; R1055-A1058 CarbonylContact O-C 3.51Å; R1055-A1058 WeakPolarHBondContact O-CA 3.35Å; R1055-A1058 PolarHBondContact O-N 3.15Å; I1056-A1058 VanDerWaalsContact C-N 3.28Å; I1056-A1058 PolarHBondContact O-N 3.15Å; I1056-A1058 VanDerWaalsContact O-N 3.14Å; A1058-L1060 VanDerWaalsContact C-N 3.31Å; A1058-L1060 HydrophobicContact CB-CB 4.46Å; A1058-L1060 HydrophobicContact CB-CD1 4.31Å; A1058-L1060 HydrophobicContact CB-CG 4.3Å; A1058-L1060 PolarHBondContact O-N 3.15Å; A1058-L1060 VanDerWaalsContact O-N 3.14Å |
| 1059 | G | 56.5 | Low | 56.8 | Low | 65.4 Ų | 65.4 | 105.2 Ų | 105.2 | 67% | 0.674 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.1 | 14 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R1055 I1056 R1057 G1061 | R1055-G1059 PolarHBondContact O-N 3.14Å; I1056-G1059 PolarHBondContact O-N 3.25Å; I1056-G1059 VanDerWaalsContact O-N 3.1Å; R1057-G1059 VanDerWaalsContact C-N 3.31Å; R1057-G1059 PolarHBondContact O-N 2.9Å; G1059-G1061 PolarHBondContact O-N 2.99Å |
| 1060 | L | 60.8 | Low | 54.9 | Low | 110.2 Ų | 110.2 | 106.3 Ų | 106.3 | 58% | 0.577 | 59% | 0.594 | S | S | * | * | trans | -99 | 68.6 | 179.4 | -62.9 | 177.4 | 0 | 0 | 0 | 110.9 | R1055 A1058 | R1055-L1060 CarbonylContact C-O 3.56Å; R1055-L1060 HydrophobicContact CB-CB 4.36Å; R1055-L1060 WeakPolarHBondContact CB-O 3.48Å; R1055-L1060 WeakPolarHBondContact CD-O 3.22Å; R1055-L1060 HydrophobicContact CG-CB 3.98Å; R1055-L1060 HydrophobicContact CG-CD1 4.49Å; R1055-L1060 WeakPolarHBondContact CG-O 3Å; R1055-L1060 CarbonylContact O-C 3.49Å; R1055-L1060 WeakPolarHBondContact O-CA 3.46Å; R1055-L1060 PolarHBondContact O-N 3.11Å; A1058-L1060 VanDerWaalsContact C-N 3.31Å; A1058-L1060 HydrophobicContact CB-CB 4.46Å; A1058-L1060 HydrophobicContact CB-CD1 4.31Å; A1058-L1060 HydrophobicContact CB-CG 4.3Å; A1058-L1060 PolarHBondContact O-N 3.15Å; A1058-L1060 VanDerWaalsContact O-N 3.14Å | ||
| 1061 | G | 58.6 | Low | 52.8 | Low | 38.8 Ų | 38.8 | 109.3 Ų | 109.3 | 40% | 0.4 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -63.1 | 152.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | R1055 G1059 I1063 | R1055-G1061 WeakPolarHBondContact CD-O 3.48Å; R1055-G1061 PolarHBondContact NE-O 3.35Å; R1055-G1061 PolarHBondContact O-N 3.08Å; G1059-G1061 PolarHBondContact O-N 2.99Å; G1061-I1063 PolarHBondContact O-N 3.05Å |
| 1062 | P | 50.1 | Low | 50.8 | Low | 102 Ų | 102 | 115.5 Ų | 115.5 | 66% | 0.662 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 139.1 | 178.2 | 27 | -34.4 | 0 | 0 | 0 | 111.1 | P1064 | P1062-P1064 WeakPolarHBondContact O-CD 3.26Š|
| 1063 | I | 47 | Very low | 48.8 | Very low | 114 Ų | 114 | 117.9 Ų | 117.9 | 59% | 0.585 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 120.8 | 179.5 | -59 | 172.9 | 0 | 0 | 0 | 109.1 | R1055 G1061 G1065 Y1066 | R1055-I1063 VanDerWaalsContact NH2-CD1 3.35Å; R1055-I1063 VanDerWaalsContact NH2-CG1 3.28Å; G1061-I1063 PolarHBondContact O-N 3.05Å; I1063-G1065 PolarHBondContact O-N 2.97Å; I1063-Y1066 HydrophobicContact CB-CD2 4.26Å; I1063-Y1066 HydrophobicContact CG2-CD2 4.24Å; I1063-Y1066 PolarHBondContact O-N 3.18Å; I1063-Y1066 VanDerWaalsContact O-N 3.14Å |
| 1064 | P | 38.5 | Very low | 46.7 | Very low | 117 Ų | 117 | 118.8 Ų | 118.8 | 76% | 0.76 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 119.9 | 176.4 | -11.9 | 22 | 0 | 0 | 0 | 110.9 | P1062 V1225 | P1062-P1064 WeakPolarHBondContact O-CD 3.26Å; P1064-V1225 HydrophobicContact CB-CG2 4.48Å; P1064-V1225 HydrophobicContact CG-CG1 4.32Å; P1064-V1225 HydrophobicContact CG-CG2 3.92Å |
| 1065 | G | 41.7 | Very low | 44.7 | Very low | 78.8 Ų | 78.8 | 120.8 Ų | 120.8 | 81% | 0.812 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 114.3 | 6.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | I1063 E1067 | I1063-G1065 PolarHBondContact O-N 2.97Å; G1065-E1067 PolarHBondContact O-N 3.07Å |
| 1066 | Y | 33.1 | Very low | 42.8 | Very low | 166.4 Ų | 166.4 | 121.3 Ų | 121.3 | 65% | 0.653 | 71% | 0.71 | S | S | * | * | trans | -111.5 | 93.9 | 169 | -157 | -91.8 | 0 | 0 | 0 | 111 | E1048 K1052 I1063 S1068 | E1048-Y1066 HydrophobicContact CG-CE2 4.47Å; E1048-Y1066 WeakPolarHBondContact OE1-CE2 3.28Å; K1052-Y1066 VanDerWaalsContact CD-OH 3.23Å; K1052-Y1066 WeakPolarHBondContact CD-OH 3.37Å; K1052-Y1066 WeakPolarHBondContact CE-OH 3.48Å; K1052-Y1066 PolarHBondContact NZ-OH 3.17Å; I1063-Y1066 HydrophobicContact CB-CD2 4.26Å; I1063-Y1066 HydrophobicContact CG2-CD2 4.24Å; I1063-Y1066 PolarHBondContact O-N 3.18Å; I1063-Y1066 VanDerWaalsContact O-N 3.14Å; Y1066-S1068 PolarHBondContact O-N 2.8Å | ||
| 1067 | E | 35.3 | Very low | 40.8 | Very low | 182.8 Ų | 182.8 | 124.4 Ų | 124.4 | 85% | 0.854 | 72% | 0.724 | S | S | * | * | trans | -95.8 | 131.6 | 166.3 | -71 | -172.4 | 157.3 | 0 | 0 | 109.7 | G1065 V1069 | G1065-E1067 PolarHBondContact O-N 3.07Å; E1067-V1069 VanDerWaalsContact C-N 3.31Å; E1067-V1069 PolarHBondContact O-N 3.08Å; E1067-V1069 VanDerWaalsContact O-N 3.08Å | ||
| 1068 | S | 31.7 | Very low | 39 | Very low | 93.6 Ų | 93.6 | 122.2 Ų | 122.2 | 66% | 0.655 | 73% | 0.73 | S | S | * | * | trans | -80.6 | 95.8 | -172 | 46 | 0 | 0 | 0 | 0 | 112.2 | E1048 Y1066 T1070 | E1048-S1068 PolarHBondContact OE1-OG 3.44Å; E1048-S1068 VanDerWaalsContact OE1-OG 3.09Å; Y1066-S1068 PolarHBondContact O-N 2.8Å; S1068-T1070 VanDerWaalsContact C-N 3.33Å; S1068-T1070 PolarHBondContact O-N 3.26Å | ||
| 1069 | V | 31.6 | Very low | 37.3 | Very low | 133.6 Ų | 133.6 | 124.9 Ų | 124.9 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | trans | -68.9 | 92.3 | 171.7 | -178.4 | 0 | 0 | 0 | 0 | 110 | E1067 L1071 | E1067-V1069 VanDerWaalsContact C-N 3.31Å; E1067-V1069 PolarHBondContact O-N 3.08Å; E1067-V1069 VanDerWaalsContact O-N 3.08Å; V1069-L1071 HydrophobicContact CG1-CD1 3.9Å; V1069-L1071 HydrophobicContact CG1-CG 3.91Å; V1069-L1071 PolarHBondContact O-N 3.12Å; V1069-L1071 VanDerWaalsContact O-N 3.11Å | ||
| 1070 | T | 31.6 | Very low | 36.1 | Very low | 118.4 Ų | 118.4 | 129.6 Ų | 129.6 | 73% | 0.726 | 75% | 0.752 | S | S | * | * | trans | -59.5 | 112.2 | 169.8 | 52.2 | 0 | 0 | 0 | 0 | 111.9 | S1068 R1072 | S1068-T1070 VanDerWaalsContact C-N 3.33Å; S1068-T1070 PolarHBondContact O-N 3.26Å; T1070-R1072 PolarHBondContact O-N 2.88Å | ||
| 1071 | L | 28.5 | Very low | 34.6 | Very low | 169.2 Ų | 169.2 | 133.3 Ų | 133.3 | 89% | 0.886 | 76% | 0.763 | S | S | * | * | trans | -89.5 | 108.1 | 170.2 | -72.6 | 173 | 0 | 0 | 0 | 111 | V1069 | V1069-L1071 HydrophobicContact CG1-CD1 3.9Å; V1069-L1071 HydrophobicContact CG1-CG 3.91Å; V1069-L1071 PolarHBondContact O-N 3.12Å; V1069-L1071 VanDerWaalsContact O-N 3.11Å | ||
| 1072 | R | 30.1 | Very low | 33.3 | Very low | 225.2 Ų | 225.2 | 137.1 Ų | 137.1 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | trans | -102.2 | 133.8 | 163.8 | -79 | -173.2 | 173.4 | -178.2 | -1.3 | 110.3 | T1070 | T1070-R1072 PolarHBondContact O-N 2.88Š| ||
| 1073 | N | 28.6 | Very low | 32.4 | Very low | 163.8 Ų | 163.8 | 138.6 Ų | 138.6 | 88% | 0.876 | 78% | 0.781 | S | S | * | * | trans | 30.7 | 96.7 | 164.6 | -58.1 | -7.3 | 0 | 0 | 0 | 115.7 | S1075 | N1073-S1075 PolarHBondContact O-N 3.3Š| ||
| 1074 | A | 28.6 | Very low | 31.7 | Very low | 101 Ų | 101 | 139.6 Ų | 139.6 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -134.2 | 109.9 | 153.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1075 | S | 28.8 | Very low | 31.5 | Very low | 122.6 Ų | 122.6 | 141.4 Ų | 141.4 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | trans | -132.4 | 123.2 | 174.3 | -64.8 | 0 | 0 | 0 | 0 | 111.9 | N1073 | N1073-S1075 PolarHBondContact O-N 3.3Š| ||
| 1076 | S | 30.4 | Very low | 31 | Very low | 115.2 Ų | 115.2 | 142.5 Ų | 142.5 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | 153.5 | 119.2 | 163.5 | 135.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1077 | M | 28.4 | Very low | 31 | Very low | 166.4 Ų | 166.4 | 139.6 Ų | 139.6 | 82% | 0.82 | 79% | 0.789 | S | S | * | * | trans | -108.5 | 128.3 | 150.5 | -76.3 | -126.1 | 80.4 | 0 | 0 | 113.1 | ||||
| 1078 | T | 33.3 | Very low | 30.8 | Very low | 125.4 Ų | 125.4 | 135.9 Ų | 135.9 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -31.5 | 140.1 | 150.5 | 43.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1079 | P | 31.5 | Very low | 30.8 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | trans | -110.9 | 164.5 | 171 | 40.4 | -33 | 0 | 0 | 0 | 115.5 | ||||
| 1080 | L | 29.9 | Very low | 30.9 | Very low | 162.8 Ų | 162.8 | 136 Ų | 136 | 85% | 0.852 | 79% | 0.785 | S | S | * | * | trans | 177.5 | 140.9 | 153.4 | -81.7 | 166.6 | 0 | 0 | 0 | 115.9 | ||||
| 1081 | K | 29.5 | Very low | 31 | Very low | 187.8 Ų | 187.8 | 138.3 Ų | 138.3 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | trans | -104 | 152.4 | 160.4 | -77.2 | 173.4 | 176.9 | 178.8 | 0 | 114.5 | N1083 | K1081-N1083 PolarHBondContact O-N 3.45Š| ||
| 1082 | T | 31 | Very low | 31.4 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | trans | -128.9 | 144.2 | 143.6 | 41.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1083 | N | 31.7 | Very low | 31.4 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | 164.8 | 144.6 | 83.6 | -95.6 | 24.8 | 0 | 0 | 0 | 111.5 | K1081 | K1081-N1083 PolarHBondContact O-N 3.45Š| |||
| 1084 | D | 32 | Very low | 31.6 | Very low | 135.6 Ų | 135.6 | 131.5 Ų | 131.5 | 73% | 0.725 | 77% | 0.77 | S | S | * | * | 166.3 | 142.8 | 124.8 | -76.5 | -33.2 | 0 | 0 | 0 | 117.7 | |||||
| 1085 | L | 33.6 | Very low | 31.7 | Very low | 155.8 Ų | 155.8 | 133.6 Ų | 133.6 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | trans | 83.3 | 135.2 | 149.9 | -93.2 | 70.5 | 0 | 0 | 0 | 117.2 | ||||
| 1086 | S | 31.3 | Very low | 31.7 | Very low | 100 Ų | 100 | 133.5 Ų | 133.5 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | -169.8 | 153.3 | 109.3 | 55.5 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1087 | S | 33.2 | Very low | 31.7 | Very low | 106.4 Ų | 106.4 | 132.9 Ų | 132.9 | 74% | 0.744 | 76% | 0.756 | S | S | * | * | trans | 74.4 | 133.2 | 164.3 | 68.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1088 | S | 31.8 | Very low | 31.9 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | 89.8 | 135.9 | 88 | 88.1 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1089 | S | 32 | Very low | 31.8 | Very low | 106.6 Ų | 106.6 | 128.8 Ų | 128.8 | 75% | 0.745 | 75% | 0.753 | S | S | * | * | cis | -170.9 | 150.9 | 31.7 | 68.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 1090 | T | 32.7 | Very low | 31.8 | Very low | 121.2 Ų | 121.2 | 132 Ų | 132 | 74% | 0.744 | 76% | 0.761 | S | S | * | * | 120.3 | 141.5 | 85.2 | -53.4 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1091 | M | 34.2 | Very low | 31.8 | Very low | 168.2 Ų | 168.2 | 128.7 Ų | 128.7 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | trans | -113.9 | 172.3 | 162.1 | -91 | -79.4 | 158 | 0 | 0 | 110.2 | ||||
| 1092 | P | 37.3 | Very low | 31.9 | Very low | 108.6 Ų | 108.6 | 125.4 Ų | 125.4 | 71% | 0.705 | 75% | 0.747 | S | S | * | * | trans | -134 | 170.3 | 131.1 | 41.7 | -26.8 | 0 | 0 | 0 | 116 | ||||
| 1093 | S | 30.1 | Very low | 31.9 | Very low | 91 Ų | 91 | 127.2 Ų | 127.2 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | trans | -171.2 | 162.7 | 166.8 | 60.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1094 | Y | 31.9 | Very low | 31.8 | Very low | 214.2 Ų | 214.2 | 129.8 Ų | 129.8 | 84% | 0.84 | 75% | 0.752 | S | S | * | * | trans | -167.2 | 157 | 171.1 | -62 | -69.4 | 0 | 0 | 0 | 112.9 | ||||
| 1095 | I | 30.9 | Very low | 31.7 | Very low | 146 Ų | 146 | 128 Ų | 128 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | cis | 175.6 | 146.6 | 45.9 | -63.9 | 166.7 | 0 | 0 | 0 | 111.9 | ||||
| 1096 | T | 29.7 | Very low | 31.5 | Very low | 120.8 Ų | 120.8 | 130.5 Ų | 130.5 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | 39.3 | 157.9 | 160.4 | 54.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 1097 | S | 30.6 | Very low | 31.4 | Very low | 102.4 Ų | 102.4 | 129 Ų | 129 | 72% | 0.716 | 76% | 0.756 | S | S | * | * | 148.7 | 139.9 | 102.6 | -74.1 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1098 | S | 31.6 | Very low | 31.4 | Very low | 118.8 Ų | 118.8 | 130 Ų | 130 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | trans | 50.1 | 153.6 | 134.3 | -51.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1099 | A | 31.7 | Very low | 31.3 | Very low | 85.6 Ų | 85.6 | 132.6 Ų | 132.6 | 71% | 0.707 | 76% | 0.763 | S | S | * | * | cis | -160.7 | 155.8 | -20 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1100 | M | 31.9 | Very low | 31.3 | Very low | 181.6 Ų | 181.6 | 133.8 Ų | 133.8 | 90% | 0.895 | 77% | 0.765 | S | S | * | * | trans | 78.4 | 143.7 | 154.8 | -62.7 | -151.2 | 111.9 | 0 | 0 | 118 | ||||
| 1101 | S | 29.2 | Very low | 31.3 | Very low | 94.6 Ų | 94.6 | 133.6 Ų | 133.6 | 66% | 0.662 | 77% | 0.766 | S | S | * | * | cis | 109.7 | 143.3 | 45.2 | -139.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1102 | T | 31.4 | Very low | 31.1 | Very low | 117.6 Ų | 117.6 | 134.6 Ų | 134.6 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | 105.5 | 137.7 | 82.5 | 43.2 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 1103 | H | 31.6 | Very low | 30.9 | Very low | 157.4 Ų | 157.4 | 134.7 Ų | 134.7 | 73% | 0.729 | 77% | 0.766 | S | S | * | * | 51.4 | 133.3 | 128.3 | -97.7 | -87 | 0 | 0 | 0 | 120.1 | |||||
| 1104 | F | 30 | Very low | 30.8 | Very low | 187 Ų | 187 | 136.3 Ų | 136.3 | 82% | 0.82 | 77% | 0.772 | S | S | * | * | 109 | 138.6 | 121.7 | -88.4 | -85.9 | 0 | 0 | 0 | 115.4 | F1106 | F1104-F1106 HydrophobicContact CE1-CE2 4.31Š| |||
| 1105 | S | 28.3 | Very low | 30.8 | Very low | 97.8 Ų | 97.8 | 136.2 Ų | 136.2 | 68% | 0.684 | 77% | 0.772 | S | S | * | * | trans | -148.8 | 143 | 145.6 | -60.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1106 | F | 30.1 | Very low | 30.6 | Very low | 208.6 Ų | 208.6 | 134.4 Ų | 134.4 | 92% | 0.915 | 77% | 0.773 | S | S | * | * | trans | -161.7 | 145.1 | 154.7 | -91 | -84.8 | 0 | 0 | 0 | 112.4 | F1104 T1108 | F1104-F1106 HydrophobicContact CE1-CE2 4.31Å; F1106-T1108 HydrophobicContact CB-CG2 4.5Å; F1106-T1108 HydrophobicContact CD1-CG2 3.93Å | ||
| 1107 | G | 29.8 | Very low | 30.6 | Very low | 69.2 Ų | 69.2 | 134.7 Ų | 134.7 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | -168 | 130.5 | 156.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1108 | T | 31.8 | Very low | 30.5 | Very low | 127.8 Ų | 127.8 | 135.4 Ų | 135.4 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | trans | -132.8 | 132.1 | 161.7 | 47.6 | 0 | 0 | 0 | 0 | 112.8 | F1106 | F1106-T1108 HydrophobicContact CB-CG2 4.5Å; F1106-T1108 HydrophobicContact CD1-CG2 3.93Å | ||
| 1109 | N | 30.4 | Very low | 30.4 | Very low | 158.8 Ų | 158.8 | 136.8 Ų | 136.8 | 85% | 0.849 | 77% | 0.766 | S | S | * | * | trans | -46.2 | 128.9 | 157.4 | -73.3 | -40.9 | 0 | 0 | 0 | 115.2 | P1111 | N1109-P1111 VanDerWaalsContact O-CD 3.29Å; N1109-P1111 WeakPolarHBondContact O-CD 3.48Å | ||
| 1110 | V | 33.2 | Very low | 30.3 | Very low | 132.4 Ų | 132.4 | 139.2 Ų | 139.2 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | trans | -117.2 | 129.2 | 150.5 | 178.8 | 0 | 0 | 0 | 0 | 111.5 | K1112 | V1110-K1112 PolarHBondContact O-N 2.91Š| ||
| 1111 | P | 32.4 | Very low | 30.2 | Very low | 116.2 Ų | 116.2 | 134.8 Ų | 134.8 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -93.7 | 139.8 | -172.3 | 35.4 | -32.5 | 0 | 0 | 0 | 113.7 | N1109 P1113 | N1109-P1111 VanDerWaalsContact O-CD 3.29Å; N1109-P1111 WeakPolarHBondContact O-CD 3.48Å; P1111-P1113 VanDerWaalsContact O-CD 3.3Å; P1111-P1113 WeakPolarHBondContact O-CD 3.42Å | ||
| 1112 | K | 30 | Very low | 30.3 | Very low | 190.2 Ų | 190.2 | 139.8 Ų | 139.8 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | trans | -91.4 | 144.4 | 162.1 | -74.2 | -179.7 | 178.6 | 178.4 | 0 | 111.6 | V1110 T1114 | V1110-K1112 PolarHBondContact O-N 2.91Å; K1112-T1114 VanDerWaalsContact C-N 3.35Å; K1112-T1114 PolarHBondContact O-N 3Å; K1112-T1114 VanDerWaalsContact O-N 3.08Å | ||
| 1113 | P | 32.4 | Very low | 30.2 | Very low | 109.8 Ų | 109.8 | 141.2 Ų | 141.2 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | -92.7 | 120.6 | -164.5 | 32.8 | -29.3 | 0 | 0 | 0 | 112 | P1111 Y1115 | P1111-P1113 VanDerWaalsContact O-CD 3.3Å; P1111-P1113 WeakPolarHBondContact O-CD 3.42Å; P1113-Y1115 VanDerWaalsContact C-N 3.3Å; P1113-Y1115 HydrophobicContact CB-CD2 4.16Å; P1113-Y1115 HydrophobicContact CB-CE2 3.84Å; P1113-Y1115 HydrophobicContact CG-CD2 4.02Å; P1113-Y1115 HydrophobicContact CG-CE2 3.9Å; P1113-Y1115 PolarHBondContact O-N 2.83Å | ||
| 1114 | T | 28.7 | Very low | 30.2 | Very low | 125.4 Ų | 125.4 | 139 Ų | 139 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -85.9 | 106.5 | 169.9 | -39.2 | 0 | 0 | 0 | 0 | 110.2 | K1112 S1116 | K1112-T1114 VanDerWaalsContact C-N 3.35Å; K1112-T1114 PolarHBondContact O-N 3Å; K1112-T1114 VanDerWaalsContact O-N 3.08Å; T1114-S1116 VanDerWaalsContact C-N 3.34Å; T1114-S1116 PolarHBondContact O-N 3.14Å | ||
| 1115 | Y | 30.6 | Very low | 30.2 | Very low | 212 Ų | 212 | 138.5 Ų | 138.5 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | trans | -100 | 94 | 164.8 | -85.1 | -78.4 | 0 | 0 | 0 | 110.2 | P1113 V1117 | P1113-Y1115 VanDerWaalsContact C-N 3.3Å; P1113-Y1115 HydrophobicContact CB-CD2 4.16Å; P1113-Y1115 HydrophobicContact CB-CE2 3.84Å; P1113-Y1115 HydrophobicContact CG-CD2 4.02Å; P1113-Y1115 HydrophobicContact CG-CE2 3.9Å; P1113-Y1115 PolarHBondContact O-N 2.83Å; Y1115-V1117 PolarHBondContact O-N 2.98Å | ||
| 1116 | S | 27.9 | Very low | 30.2 | Very low | 108.6 Ų | 108.6 | 140.9 Ų | 140.9 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | -77.3 | 102 | 168.2 | 50.9 | 0 | 0 | 0 | 0 | 110.1 | T1114 N1118 | T1114-S1116 VanDerWaalsContact C-N 3.34Å; T1114-S1116 PolarHBondContact O-N 3.14Å; S1116-N1118 PolarHBondContact O-N 3.12Å; S1116-N1118 VanDerWaalsContact O-N 3.13Å | ||
| 1117 | V | 29.2 | Very low | 30.2 | Very low | 126.4 Ų | 126.4 | 139.1 Ų | 139.1 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | trans | -77.9 | 118.7 | 169 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | Y1115 I1119 | Y1115-V1117 PolarHBondContact O-N 2.98Å; V1117-I1119 PolarHBondContact O-N 3.12Å; V1117-I1119 VanDerWaalsContact O-N 3.11Å | ||
| 1118 | N | 29.2 | Very low | 30 | Very low | 117.6 Ų | 117.6 | 141.1 Ų | 141.1 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | trans | -73.1 | 106.2 | -177.3 | -174.7 | 9.5 | 0 | 0 | 0 | 111.1 | S1116 N1120 S1121 | S1116-N1118 PolarHBondContact O-N 3.12Å; S1116-N1118 VanDerWaalsContact O-N 3.13Å; N1118-N1120 PolarHBondContact O-N 3Å; N1118-N1120 WeakPolarHBondContact OD1-CB 3.41Å; N1118-N1120 PolarHBondContact OD1-N 3.42Å; N1118-N1120 VanDerWaalsContact OD1-N 3.11Å; N1118-S1121 PolarHBondContact O-N 2.81Å; N1118-S1121 PolarHBondContact O-OG 3.08Å; N1118-S1121 VanDerWaalsContact O-OG 3.05Å | ||
| 1119 | I | 29.4 | Very low | 30 | Very low | 148.6 Ų | 148.6 | 140.3 Ų | 140.3 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -76.6 | 71.2 | 175.6 | -53.5 | 177.5 | 0 | 0 | 0 | 109.7 | V1117 S1121 | V1117-I1119 PolarHBondContact O-N 3.12Å; V1117-I1119 VanDerWaalsContact O-N 3.11Å; I1119-S1121 VanDerWaalsContact C-N 3.31Å; I1119-S1121 PolarHBondContact O-N 2.87Å | ||
| 1120 | N | 29.2 | Very low | 29.9 | Very low | 136.4 Ų | 136.4 | 137.5 Ų | 137.5 | 73% | 0.729 | 76% | 0.757 | S | S | * | * | trans | -153.9 | 45.6 | 171.2 | -74.9 | -47.5 | 0 | 0 | 0 | 113.4 | N1118 | N1118-N1120 PolarHBondContact O-N 3Å; N1118-N1120 WeakPolarHBondContact OD1-CB 3.41Å; N1118-N1120 PolarHBondContact OD1-N 3.42Å; N1118-N1120 VanDerWaalsContact OD1-N 3.11Å | ||
| 1121 | S | 29.5 | Very low | 29.8 | Very low | 87.6 Ų | 87.6 | 137.9 Ų | 137.9 | 61% | 0.613 | 76% | 0.76 | S | S | * | * | trans | -146.9 | 67 | 170.5 | 60.8 | 0 | 0 | 0 | 0 | 114.4 | N1118 I1119 | N1118-S1121 PolarHBondContact O-N 2.81Å; N1118-S1121 PolarHBondContact O-OG 3.08Å; N1118-S1121 VanDerWaalsContact O-OG 3.05Å; I1119-S1121 VanDerWaalsContact C-N 3.31Å; I1119-S1121 PolarHBondContact O-N 2.87Å | ||
| 1122 | F | 30.5 | Very low | 29.7 | Very low | 201 Ų | 201 | 137.5 Ų | 137.5 | 88% | 0.882 | 76% | 0.76 | S | S | * | * | trans | -167.8 | 82.3 | 156.5 | -87.5 | -70.2 | 0 | 0 | 0 | 112.8 | P1124 | F1122-P1124 WeakPolarHBondContact O-CD 3.45Š| ||
| 1123 | I | 30.8 | Very low | 29.8 | Very low | 146.2 Ų | 146.2 | 134.5 Ų | 134.5 | 75% | 0.75 | 76% | 0.757 | S | S | * | * | trans | -89.8 | 118.1 | 160.5 | -61.8 | 169.8 | 0 | 0 | 0 | 107.5 | K1125 | I1123-K1125 VanDerWaalsContact C-N 3.3Å; I1123-K1125 PolarHBondContact O-N 3.33Å | ||
| 1124 | P | 31.1 | Very low | 29.9 | Very low | 111.2 Ų | 111.2 | 135 Ų | 135 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | -72.9 | 119.4 | 160.5 | -2.6 | 16 | 0 | 0 | 0 | 108.6 | F1122 I1126 | F1122-P1124 WeakPolarHBondContact O-CD 3.45Å; P1124-I1126 PolarHBondContact O-N 3.36Å | ||
| 1125 | K | 28.6 | Very low | 30.1 | Very low | 176.6 Ų | 176.6 | 134.1 Ų | 134.1 | 77% | 0.768 | 76% | 0.759 | S | S | * | * | trans | -68.4 | 112 | 171.5 | -80.2 | -178.3 | 176.4 | 179.2 | 0 | 109.3 | I1123 Q1127 E1455 | I1123-K1125 VanDerWaalsContact C-N 3.3Å; I1123-K1125 PolarHBondContact O-N 3.33Å; K1125-Q1127 HydrophobicContact CB-CG 4.45Å; K1125-Q1127 PolarHBondContact O-N 3.05Å; K1125-E1455 IonicContact NZ-OE1 3.73Å; K1125-E1455 PolarHBondContact NZ-OE1 3.36Å | ||
| 1126 | I | 29.2 | Very low | 30.1 | Very low | 148.8 Ų | 148.8 | 131.5 Ų | 131.5 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | trans | -52.2 | 103.6 | 157.2 | -58.4 | 175.8 | 0 | 0 | 0 | 108.5 | P1124 S1128 | P1124-I1126 PolarHBondContact O-N 3.36Å; I1126-S1128 PolarHBondContact O-N 2.95Å | ||
| 1127 | Q | 29.2 | Very low | 30.4 | Very low | 171.2 Ų | 171.2 | 131.8 Ų | 131.8 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | trans | -102 | 113 | 150.5 | -87.6 | 179.5 | -68.3 | 0 | 0 | 109 | K1125 S1129 | K1125-Q1127 HydrophobicContact CB-CG 4.45Å; K1125-Q1127 PolarHBondContact O-N 3.05Å; Q1127-S1129 PolarHBondContact O-N 3Å | ||
| 1128 | S | 27.4 | Very low | 30.5 | Very low | 110.2 Ų | 110.2 | 130 Ų | 130 | 77% | 0.771 | 75% | 0.75 | S | S | * | * | trans | -74.1 | 105.3 | 169.7 | 35.1 | 0 | 0 | 0 | 0 | 109.8 | I1126 S1130 | I1126-S1128 PolarHBondContact O-N 2.95Å; S1128-S1130 PolarHBondContact O-N 2.68Å | ||
| 1129 | S | 30.7 | Very low | 30.7 | Very low | 111 Ų | 111 | 132 Ų | 132 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -109.3 | 103 | 173.4 | 55.9 | 0 | 0 | 0 | 0 | 111 | Q1127 T1131 | Q1127-S1129 PolarHBondContact O-N 3Å; S1129-T1131 PolarHBondContact O-N 3.11Å | ||
| 1130 | S | 29.6 | Very low | 30.8 | Very low | 100.4 Ų | 100.4 | 132.1 Ų | 132.1 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | trans | -71.1 | 127.9 | 172.9 | 17.7 | 0 | 0 | 0 | 0 | 113 | S1128 S1132 | S1128-S1130 PolarHBondContact O-N 2.68Å; S1130-S1132 PolarHBondContact O-N 3.26Å | ||
| 1131 | T | 29.4 | Very low | 31 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | trans | -76.1 | 115.4 | 159.8 | 43.9 | 0 | 0 | 0 | 0 | 112.5 | S1129 T1133 | S1129-T1131 PolarHBondContact O-N 3.11Å; T1131-T1133 PolarHBondContact O-N 3.31Å | ||
| 1132 | S | 31.7 | Very low | 31.1 | Very low | 107.6 Ų | 107.6 | 132.4 Ų | 132.4 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | -117.3 | 127.3 | 158.3 | 51.4 | 0 | 0 | 0 | 0 | 112.6 | S1130 | S1130-S1132 PolarHBondContact O-N 3.26Š| ||
| 1133 | T | 32.4 | Very low | 31.3 | Very low | 127.8 Ų | 127.8 | 130.4 Ų | 130.4 | 78% | 0.784 | 76% | 0.76 | S | S | * | * | trans | -67.2 | 144.6 | 166 | 47.1 | 0 | 0 | 0 | 0 | 111.2 | T1131 S1135 | T1131-T1133 PolarHBondContact O-N 3.31Å; T1133-S1135 PolarHBondContact O-N 3.19Å | ||
| 1134 | P | 34.4 | Very low | 31.3 | Very low | 119.4 Ų | 119.4 | 132.6 Ų | 132.6 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | trans | -96.3 | 130 | 150.1 | 29.2 | -23.8 | 0 | 0 | 0 | 113 | I1136 | P1134-I1136 PolarHBondContact O-N 2.91Š| ||
| 1135 | S | 31.5 | Very low | 31.5 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | -26.5 | 135.8 | 162.5 | 49 | 0 | 0 | 0 | 0 | 115.2 | T1133 P1137 | T1133-S1135 PolarHBondContact O-N 3.19Å; S1135-P1137 WeakPolarHBondContact O-CD 3.43Å | ||
| 1136 | I | 31.6 | Very low | 31.6 | Very low | 157.2 Ų | 157.2 | 127.6 Ų | 127.6 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | trans | -76.7 | 132.7 | 174 | -48.7 | 168.2 | 0 | 0 | 0 | 110.2 | P1134 S1138 | P1134-I1136 PolarHBondContact O-N 2.91Å; I1136-S1138 PolarHBondContact O-N 2.85Å | ||
| 1137 | P | 32.8 | Very low | 31.8 | Very low | 113.6 Ų | 113.6 | 130.2 Ų | 130.2 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | -109.4 | 135.2 | 135.2 | 8.1 | 7.8 | 0 | 0 | 0 | 113.1 | S1135 L1139 | S1135-P1137 WeakPolarHBondContact O-CD 3.43Å; P1137-L1139 HydrophobicContact CB-CD1 4.21Å; P1137-L1139 HydrophobicContact CB-CG 4.1Å; P1137-L1139 PolarHBondContact O-N 3.3Å | ||
| 1138 | S | 32 | Very low | 32 | Very low | 88.8 Ų | 88.8 | 128.5 Ų | 128.5 | 62% | 0.621 | 77% | 0.773 | S | S | * | * | trans | -86.8 | 142.4 | 170.4 | 53.7 | 0 | 0 | 0 | 0 | 113.9 | I1136 L1140 S1141 | I1136-S1138 PolarHBondContact O-N 2.85Å; S1138-L1140 PolarHBondContact O-N 2.86Å; S1138-L1140 VanDerWaalsContact O-N 3.13Å; S1138-S1141 PolarHBondContact O-N 3.08Å; S1138-S1141 PolarHBondContact O-OG 3.37Å; S1138-S1141 VanDerWaalsContact O-OG 3.1Å | ||
| 1139 | L | 33.1 | Very low | 32.2 | Very low | 159.6 Ų | 159.6 | 126.6 Ų | 126.6 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | trans | -134.3 | 79.9 | 160.9 | -76.2 | 173.9 | 0 | 0 | 0 | 114.5 | P1137 | P1137-L1139 HydrophobicContact CB-CD1 4.21Å; P1137-L1139 HydrophobicContact CB-CG 4.1Å; P1137-L1139 PolarHBondContact O-N 3.3Å | ||
| 1140 | L | 31.6 | Very low | 32.7 | Very low | 151.2 Ų | 151.2 | 127.2 Ų | 127.2 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | trans | -118.9 | 122.2 | 162.6 | -88.9 | 108.5 | 0 | 0 | 0 | 113.3 | S1138 N1142 | S1138-L1140 PolarHBondContact O-N 2.86Å; S1138-L1140 VanDerWaalsContact O-N 3.13Å; L1140-N1142 VanDerWaalsContact C-N 3.33Å; L1140-N1142 PolarHBondContact O-N 2.72Å | ||
| 1141 | S | 33.9 | Very low | 32.8 | Very low | 84 Ų | 84 | 130.3 Ų | 130.3 | 59% | 0.587 | 78% | 0.779 | S | S | * | * | trans | -132.4 | 139.9 | 174.2 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | S1138 | S1138-S1141 PolarHBondContact O-N 3.08Å; S1138-S1141 PolarHBondContact O-OG 3.37Å; S1138-S1141 VanDerWaalsContact O-OG 3.1Å | ||
| 1142 | N | 31.2 | Very low | 32.9 | Very low | 146.2 Ų | 146.2 | 128.8 Ų | 128.8 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | trans | 35.3 | 105.1 | 167.8 | -66.3 | -16.6 | 0 | 0 | 0 | 117.5 | L1140 | L1140-N1142 VanDerWaalsContact C-N 3.33Å; L1140-N1142 PolarHBondContact O-N 2.72Å | ||
| 1143 | I | 35.6 | Very low | 32.9 | Very low | 159.4 Ų | 159.4 | 135.3 Ų | 135.3 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | trans | -148.2 | 99.3 | 134.3 | -63.1 | 169.8 | 0 | 0 | 0 | 110.8 | ||||
| 1144 | K | 31.1 | Very low | 32.9 | Very low | 191.8 Ų | 191.8 | 133.7 Ų | 133.7 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | 170.4 | 108.3 | 139 | -130.4 | 173.6 | -179.3 | 176.7 | 0 | 114.6 | ||||
| 1145 | S | 33.9 | Very low | 32.7 | Very low | 114.2 Ų | 114.2 | 136.6 Ų | 136.6 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | cis | -161 | 133.6 | 24.8 | 48.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1146 | G | 31.6 | Very low | 32.9 | Very low | 69.2 Ų | 69.2 | 136.3 Ų | 136.3 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | 124.1 | 135.9 | 158.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1147 | F | 32.2 | Very low | 33 | Very low | 204 Ų | 204 | 136.9 Ų | 136.9 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | 106.9 | 115.8 | 53.3 | -114.5 | -94.3 | 0 | 0 | 0 | 114.6 | |||||
| 1148 | T | 34.6 | Very low | 33.1 | Very low | 135.8 Ų | 135.8 | 136.3 Ų | 136.3 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | trans | 5.5 | 137.6 | 161.6 | 57.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1149 | G | 31.4 | Very low | 33.1 | Very low | 70.4 Ų | 70.4 | 137.1 Ų | 137.1 | 73% | 0.726 | 78% | 0.782 | S | S | * | * | trans | 164.1 | 169.9 | 132.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1150 | P | 40.6 | Very low | 33.4 | Very low | 122.6 Ų | 122.6 | 134.3 Ų | 134.3 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | -113 | 178.1 | -127.5 | 37.8 | -27.7 | 0 | 0 | 0 | 114.7 | |||||
| 1151 | L | 31.3 | Very low | 33.6 | Very low | 165.4 Ų | 165.4 | 137.5 Ų | 137.5 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | -150.2 | 143.1 | 162.2 | -87.9 | 98.2 | 0 | 0 | 0 | 114.6 | ||||
| 1152 | S | 33.3 | Very low | 33.6 | Very low | 110.2 Ų | 110.2 | 138.5 Ų | 138.5 | 77% | 0.771 | 78% | 0.784 | S | S | * | * | trans | 166.9 | 123.6 | 137.8 | -75.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1153 | R | 29.8 | Very low | 33.7 | Very low | 243.6 Ų | 243.6 | 135.3 Ų | 135.3 | 92% | 0.919 | 78% | 0.778 | S | S | * | * | 76.9 | 128.6 | 111 | -158.3 | 179.1 | -171.3 | 172.4 | 3.5 | 115.8 | |||||
| 1154 | A | 32.3 | Very low | 33.6 | Very low | 94.2 Ų | 94.2 | 134.5 Ų | 134.5 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | trans | 171.6 | 137.6 | 152.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1155 | Q | 31.9 | Very low | 33.8 | Very low | 179.2 Ų | 179.2 | 133.7 Ų | 133.7 | 84% | 0.837 | 78% | 0.775 | S | S | * | * | -139.6 | 162.2 | 100.8 | -108.7 | -162.7 | -22.9 | 0 | 0 | 113.6 | |||||
| 1156 | P | 35.1 | Very low | 33.7 | Very low | 102.4 Ų | 102.4 | 132.5 Ų | 132.5 | 67% | 0.665 | 77% | 0.771 | S | S | * | * | -116.8 | -179 | -119.7 | 32.3 | -17.9 | 0 | 0 | 0 | 114.9 | |||||
| 1157 | Q | 32.7 | Very low | 33.7 | Very low | 168.4 Ų | 168.4 | 134.4 Ų | 134.4 | 79% | 0.787 | 77% | 0.774 | S | S | * | * | trans | -167 | 156.3 | 157.6 | -68.5 | -61.6 | -22.5 | 0 | 0 | 115 | ||||
| 1158 | P | 35.4 | Very low | 33.8 | Very low | 101.2 Ų | 101.2 | 130.4 Ų | 130.4 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | trans | -133.7 | 177.3 | -130.7 | 42.1 | -25.9 | 0 | 0 | 0 | 117.5 | ||||
| 1159 | S | 33 | Very low | 33.7 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | 66.4 | 172.7 | 154.7 | 78.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1160 | P | 39.7 | Very low | 34 | Very low | 101 Ų | 101 | 134 Ų | 134 | 66% | 0.656 | 77% | 0.769 | S | S | * | * | cis | -141.2 | -179.1 | -9 | 38.1 | -17.7 | 0 | 0 | 0 | 116.8 | ||||
| 1161 | Y | 34.6 | Very low | 33.8 | Very low | 217.4 Ų | 217.4 | 137.8 Ų | 137.8 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | 63.1 | 146.8 | 158.3 | -74.3 | -88.1 | 0 | 0 | 0 | 119.4 | ||||
| 1162 | S | 33.9 | Very low | 34.1 | Very low | 105.8 Ų | 105.8 | 135.9 Ų | 135.9 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | cis | 146.9 | 155.2 | 1.1 | -96.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1163 | A | 34.2 | Very low | 34.1 | Very low | 78.2 Ų | 78.2 | 135 Ų | 135 | 65% | 0.646 | 76% | 0.763 | S | S | * | * | cis | 176 | 156.2 | -18.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1164 | N | 33.1 | Very low | 34.7 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | 81.1 | 130.6 | 158 | -67.1 | -25.1 | 0 | 0 | 0 | 116.9 | ||||
| 1165 | Q | 35.2 | Very low | 35.1 | Very low | 174.8 Ų | 174.8 | 126.2 Ų | 126.2 | 82% | 0.817 | 74% | 0.738 | S | S | * | * | cis | 161.3 | 151.7 | 49 | -90.9 | 178.2 | 48.2 | 0 | 0 | 115 | ||||
| 1166 | A | 32.6 | Very low | 35.6 | Very low | 87.8 Ų | 87.8 | 120.6 Ų | 120.6 | 73% | 0.726 | 72% | 0.719 | S | S | * | * | trans | 48 | 134 | 145.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1167 | S | 30.7 | Very low | 35.9 | Very low | 109.4 Ų | 109.4 | 122.2 Ų | 122.2 | 77% | 0.765 | 72% | 0.721 | S | S | * | * | 118.9 | 158.1 | 125.3 | 79.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1168 | T | 34.9 | Very low | 36.4 | Very low | 120.4 Ų | 120.4 | 121.3 Ų | 121.3 | 74% | 0.739 | 72% | 0.715 | S | S | * | * | -159.9 | 145.1 | 107.8 | 47 | 0 | 0 | 0 | 0 | 114 | N1170 | T1168-N1170 PolarHBondContact O-N 3.4Š| |||
| 1169 | T | 33.1 | Very low | 36.8 | Very low | 123.6 Ų | 123.6 | 119 Ų | 119 | 76% | 0.758 | 70% | 0.701 | S | S | * | * | trans | -18.4 | 116.7 | 160.3 | 53.6 | 0 | 0 | 0 | 0 | 117.7 | K1171 | T1169-K1171 PolarHBondContact O-N 2.77Å; T1169-K1171 VanDerWaalsContact O-N 3.12Å | ||
| 1170 | N | 37.6 | Very low | 37.4 | Very low | 159.4 Ų | 159.4 | 118.7 Ų | 118.7 | 85% | 0.852 | 69% | 0.692 | S | S | * | * | trans | -124.3 | 135.9 | 131.5 | -84.7 | -38.6 | 0 | 0 | 0 | 111.7 | T1168 | T1168-N1170 PolarHBondContact O-N 3.4Š| ||
| 1171 | K | 35.1 | Very low | 38.1 | Very low | 200.4 Ų | 200.4 | 121.1 Ų | 121.1 | 87% | 0.871 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 143 | 171.6 | -82.3 | -177.7 | 177 | 179.3 | 0 | 109.8 | T1169 S1173 | T1169-K1171 PolarHBondContact O-N 2.77Å; T1169-K1171 VanDerWaalsContact O-N 3.12Å; K1171-S1173 PolarHBondContact O-N 3.11Å |
| 1172 | P | 37.2 | Very low | 39.1 | Very low | 126.2 Ų | 126.2 | 116.2 Ų | 116.2 | 82% | 0.819 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 153.2 | 154.6 | 33.1 | -31.2 | 0 | 0 | 0 | 111.7 | A1174 | P1172-A1174 PolarHBondContact O-N 3Š|
| 1173 | S | 34.8 | Very low | 40.4 | Very low | 90.6 Ų | 90.6 | 115.7 Ų | 115.7 | 63% | 0.634 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 127.5 | 177.1 | -171.2 | 0 | 0 | 0 | 0 | 112.9 | K1171 S1175 S1176 | K1171-S1173 PolarHBondContact O-N 3.11Å; S1173-S1175 VanDerWaalsContact C-N 3.32Å; S1173-S1175 PolarHBondContact O-N 3.13Å; S1173-S1175 VanDerWaalsContact O-N 3.12Å; S1173-S1175 PolarHBondContact OG-N 2.76Å; S1173-S1175 PolarHBondContact OG-OG 2.91Å; S1173-S1176 PolarHBondContact O-N 2.84Å |
| 1174 | A | 41.1 | Very low | 41.7 | Very low | 75 Ų | 75 | 114.5 Ų | 114.5 | 62% | 0.62 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -2.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | P1172 S1176 L1177 F1178 | P1172-A1174 PolarHBondContact O-N 3Å; A1174-S1176 VanDerWaalsContact C-N 3.3Å; A1174-S1176 PolarHBondContact O-N 3.21Å; A1174-L1177 PolarHBondContact O-N 3.05Å; A1174-F1178 HydrophobicContact CB-CE2 4.27Å; A1174-F1178 WeakPolarHBondContact O-CD2 3.47Å |
| 1175 | S | 42.1 | Very low | 43 | Very low | 78.2 Ų | 78.2 | 109.9 Ų | 109.9 | 55% | 0.547 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -72.7 | -25.9 | -178.1 | 55.3 | 0 | 0 | 0 | 0 | 114.3 | S1173 L1177 F1178 S1179 | S1173-S1175 VanDerWaalsContact C-N 3.32Å; S1173-S1175 PolarHBondContact O-N 3.13Å; S1173-S1175 VanDerWaalsContact O-N 3.12Å; S1173-S1175 PolarHBondContact OG-N 2.76Å; S1173-S1175 PolarHBondContact OG-OG 2.91Å; S1175-L1177 VanDerWaalsContact C-N 3.3Å; S1175-L1177 PolarHBondContact O-N 3.12Å; S1175-F1178 PolarHBondContact O-N 3.13Å; S1175-S1179 PolarHBondContact O-N 3.34Å |
| 1176 | S | 41.3 | Very low | 44.3 | Very low | 63.2 Ų | 63.2 | 103.9 Ų | 103.9 | 44% | 0.442 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -78.4 | -21.3 | -176 | -172.5 | 0 | 0 | 0 | 0 | 114.4 | S1173 A1174 S1179 N1180 | S1173-S1176 PolarHBondContact O-N 2.84Å; A1174-S1176 VanDerWaalsContact C-N 3.3Å; A1174-S1176 PolarHBondContact O-N 3.21Å; S1176-S1179 PolarHBondContact O-OG 2.93Å; S1176-S1179 VanDerWaalsContact O-OG 3.11Å; S1176-N1180 VanDerWaalsContact O-CG 3.26Å; S1176-N1180 PolarHBondContact O-N 3.3Å; S1176-N1180 PolarHBondContact O-ND2 3.03Å; S1176-N1180 PolarHBondContact OG-ND2 3.3Å; S1176-N1180 VanDerWaalsContact OG-ND2 3.17Å |
| 1177 | L | 41.9 | Very low | 45.8 | Very low | 135.4 Ų | 135.4 | 102.6 Ų | 102.6 | 71% | 0.709 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -79 | -36.1 | -179.6 | -66.5 | 177.1 | 0 | 0 | 0 | 112.2 | A1174 S1175 S1179 N1180 F1181 | A1174-L1177 PolarHBondContact O-N 3.05Å; S1175-L1177 VanDerWaalsContact C-N 3.3Å; S1175-L1177 PolarHBondContact O-N 3.12Å; L1177-S1179 PolarHBondContact O-N 3.28Å; L1177-N1180 PolarHBondContact O-N 2.87Å; L1177-F1181 WeakPolarHBondContact O-CB 3.49Å; L1177-F1181 PolarHBondContact O-N 3.08Å |
| 1178 | F | 43.8 | Very low | 47.6 | Very low | 148.4 Ų | 148.4 | 104 Ų | 104 | 65% | 0.651 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.2 | -39 | 178.3 | -86.9 | -80.9 | 0 | 0 | 0 | 112.7 | A1174 S1175 N1180 F1181 L1182 | A1174-F1178 HydrophobicContact CB-CE2 4.27Å; A1174-F1178 WeakPolarHBondContact O-CD2 3.47Å; S1175-F1178 PolarHBondContact O-N 3.13Å; F1178-N1180 VanDerWaalsContact C-N 3.32Å; F1178-N1180 PolarHBondContact O-N 3.09Å; F1178-F1181 PolarHBondContact O-N 3.24Å; F1178-L1182 HydrophobicContact CD1-CD1 4.1Å; F1178-L1182 HydrophobicContact CD1-CG 4.32Å; F1178-L1182 WeakPolarHBondContact O-CB 3.35Å; F1178-L1182 VanDerWaalsContact O-CG 3.27Å; F1178-L1182 WeakPolarHBondContact O-CG 3.32Å; F1178-L1182 PolarHBondContact O-N 3.2Å |
| 1179 | S | 42.5 | Very low | 49.2 | Very low | 53 Ų | 53 | 101.1 Ų | 101.1 | 37% | 0.371 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.8 | -45.3 | 176.1 | 59.1 | 0 | 0 | 0 | 0 | 112.1 | S1175 S1176 L1177 F1181 L1182 T1183 | S1175-S1179 PolarHBondContact O-N 3.34Å; S1176-S1179 PolarHBondContact O-OG 2.93Å; S1176-S1179 VanDerWaalsContact O-OG 3.11Å; L1177-S1179 PolarHBondContact O-N 3.28Å; S1179-F1181 VanDerWaalsContact C-N 3.3Å; S1179-F1181 PolarHBondContact O-N 3.11Å; S1179-L1182 PolarHBondContact O-N 2.94Å; S1179-T1183 VanDerWaalsContact O-CB 3.3Å; S1179-T1183 WeakPolarHBondContact O-CB 3.32Å; S1179-T1183 PolarHBondContact O-N 2.97Å; S1179-T1183 PolarHBondContact O-OG1 3.07Å; S1179-T1183 VanDerWaalsContact O-OG1 3.04Å |
| 1180 | N | 47 | Very low | 50.9 | Low | 100.6 Ų | 100.6 | 101.6 Ų | 101.6 | 54% | 0.538 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66 | -36.9 | 177.5 | -71.9 | -26.7 | 0 | 0 | 0 | 112.3 | S1176 L1177 F1178 S1184 | S1176-N1180 VanDerWaalsContact O-CG 3.26Å; S1176-N1180 PolarHBondContact O-N 3.3Å; S1176-N1180 PolarHBondContact O-ND2 3.03Å; S1176-N1180 PolarHBondContact OG-ND2 3.3Å; S1176-N1180 VanDerWaalsContact OG-ND2 3.17Å; L1177-N1180 PolarHBondContact O-N 2.87Å; F1178-N1180 VanDerWaalsContact C-N 3.32Å; F1178-N1180 PolarHBondContact O-N 3.09Å; N1180-S1184 WeakPolarHBondContact O-CB 3.4Å; N1180-S1184 PolarHBondContact O-N 3.16Å; N1180-S1184 VanDerWaalsContact O-N 3.12Å |
| 1181 | F | 54.4 | Low | 52.7 | Low | 151.2 Ų | 151.2 | 98.5 Ų | 98.5 | 66% | 0.663 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.9 | -45.8 | 175.9 | -164.1 | -91.7 | 0 | 0 | 0 | 111.9 | L1177 F1178 S1179 T1183 S1184 A1185 | L1177-F1181 WeakPolarHBondContact O-CB 3.49Å; L1177-F1181 PolarHBondContact O-N 3.08Å; F1178-F1181 PolarHBondContact O-N 3.24Å; S1179-F1181 VanDerWaalsContact C-N 3.3Å; S1179-F1181 PolarHBondContact O-N 3.11Å; F1181-T1183 VanDerWaalsContact C-N 3.33Å; F1181-T1183 PolarHBondContact O-N 3.21Å; F1181-S1184 WeakPolarHBondContact O-CB 3.36Å; F1181-S1184 PolarHBondContact O-N 3.26Å; F1181-A1185 WeakPolarHBondContact O-CB 3.29Å; F1181-A1185 PolarHBondContact O-N 3.19Å |
| 1182 | L | 54.1 | Low | 54.5 | Low | 114.8 Ų | 114.8 | 93.9 Ų | 93.9 | 60% | 0.601 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63 | -41.3 | 176.5 | -71.3 | 171 | 0 | 0 | 0 | 112 | F1178 S1179 S1184 A1185 A1186 | F1178-L1182 HydrophobicContact CD1-CD1 4.1Å; F1178-L1182 HydrophobicContact CD1-CG 4.32Å; F1178-L1182 WeakPolarHBondContact O-CB 3.35Å; F1178-L1182 VanDerWaalsContact O-CG 3.27Å; F1178-L1182 WeakPolarHBondContact O-CG 3.32Å; F1178-L1182 PolarHBondContact O-N 3.2Å; S1179-L1182 PolarHBondContact O-N 2.94Å; L1182-S1184 VanDerWaalsContact C-N 3.33Å; L1182-S1184 PolarHBondContact O-N 3.38Å; L1182-A1185 PolarHBondContact O-N 3.14Å; L1182-A1186 VanDerWaalsContact O-CB 3.28Å; L1182-A1186 WeakPolarHBondContact O-CB 3.33Å; L1182-A1186 PolarHBondContact O-N 3.17Å |
| 1183 | T | 62.1 | Low | 56 | Low | 95.6 Ų | 95.6 | 90.6 Ų | 90.6 | 59% | 0.587 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.3 | -38.8 | 175.5 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | S1179 F1181 S1187 | S1179-T1183 VanDerWaalsContact O-CB 3.3Å; S1179-T1183 WeakPolarHBondContact O-CB 3.32Å; S1179-T1183 PolarHBondContact O-N 2.97Å; S1179-T1183 PolarHBondContact O-OG1 3.07Å; S1179-T1183 VanDerWaalsContact O-OG1 3.04Å; F1181-T1183 VanDerWaalsContact C-N 3.33Å; F1181-T1183 PolarHBondContact O-N 3.21Å; T1183-S1187 VanDerWaalsContact O-CB 3.23Å; T1183-S1187 WeakPolarHBondContact O-CB 3.38Å; T1183-S1187 PolarHBondContact O-N 2.99Å; T1183-S1187 VanDerWaalsContact O-N 3.12Å; T1183-S1187 PolarHBondContact O-OG 3.49Å |
| 1184 | S | 60.5 | Low | 57.9 | Low | 52.8 Ų | 52.8 | 89.9 Ų | 89.9 | 37% | 0.369 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.7 | -38.7 | 174.5 | -168.1 | 0 | 0 | 0 | 0 | 112.4 | N1180 F1181 L1182 S1187 K1188 | N1180-S1184 WeakPolarHBondContact O-CB 3.4Å; N1180-S1184 PolarHBondContact O-N 3.16Å; N1180-S1184 VanDerWaalsContact O-N 3.12Å; F1181-S1184 WeakPolarHBondContact O-CB 3.36Å; F1181-S1184 PolarHBondContact O-N 3.26Å; L1182-S1184 VanDerWaalsContact C-N 3.33Å; L1182-S1184 PolarHBondContact O-N 3.38Å; S1184-S1187 PolarHBondContact O-N 3.49Å; S1184-S1187 PolarHBondContact O-OG 3.42Å; S1184-K1188 WeakPolarHBondContact O-CB 3.41Å; S1184-K1188 WeakPolarHBondContact O-CD 3.3Å; S1184-K1188 VanDerWaalsContact O-CG 3.27Å; S1184-K1188 WeakPolarHBondContact O-CG 3.43Å; S1184-K1188 PolarHBondContact O-N 3.26Å; S1184-K1188 VanDerWaalsContact O-N 3.17Å; S1184-K1188 PolarHBondContact OG-NZ 2.82Å |
| 1185 | A | 60.7 | Low | 59.7 | Low | 46.2 Ų | 46.2 | 88 Ų | 88 | 38% | 0.382 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.6 | -45.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1181 L1182 S1187 K1188 A1189 | F1181-A1185 WeakPolarHBondContact O-CB 3.29Å; F1181-A1185 PolarHBondContact O-N 3.19Å; L1182-A1185 PolarHBondContact O-N 3.14Å; A1185-S1187 PolarHBondContact O-N 3.03Å; A1185-K1188 PolarHBondContact O-N 3.1Å; A1185-A1189 VanDerWaalsContact O-CB 3.3Å; A1185-A1189 WeakPolarHBondContact O-CB 3.32Å; A1185-A1189 PolarHBondContact O-N 3.28Å |
| 1186 | A | 63 | Low | 61.3 | Low | 50 Ų | 50 | 86.9 Ų | 86.9 | 41% | 0.413 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1182 K1188 A1189 Q1190 | L1182-A1186 VanDerWaalsContact O-CB 3.28Å; L1182-A1186 WeakPolarHBondContact O-CB 3.33Å; L1182-A1186 PolarHBondContact O-N 3.17Å; A1186-K1188 PolarHBondContact O-N 3.07Å; A1186-A1189 WeakPolarHBondContact O-CB 3.43Å; A1186-A1189 PolarHBondContact O-N 3.12Å; A1186-A1189 VanDerWaalsContact O-N 3.17Å; A1186-Q1190 WeakPolarHBondContact O-CB 3.34Å; A1186-Q1190 WeakPolarHBondContact O-CG 3.35Å; A1186-Q1190 PolarHBondContact O-N 3.07Å |
| 1187 | S | 63.8 | Low | 63.1 | Low | 61 Ų | 61 | 89.1 Ų | 89.1 | 43% | 0.427 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 176.6 | 138 | 0 | 0 | 0 | 0 | 112.6 | T1183 S1184 A1185 T1191 | T1183-S1187 VanDerWaalsContact O-CB 3.23Å; T1183-S1187 WeakPolarHBondContact O-CB 3.38Å; T1183-S1187 PolarHBondContact O-N 2.99Å; T1183-S1187 VanDerWaalsContact O-N 3.12Å; T1183-S1187 PolarHBondContact O-OG 3.49Å; S1184-S1187 PolarHBondContact O-N 3.49Å; S1184-S1187 PolarHBondContact O-OG 3.42Å; A1185-S1187 PolarHBondContact O-N 3.03Å; S1187-T1191 WeakPolarHBondContact O-CB 3.41Å; S1187-T1191 PolarHBondContact O-N 3.01Å; S1187-T1191 PolarHBondContact O-OG1 2.87Å |
| 1188 | K | 69.6 | Low | 64.9 | Low | 137 Ų | 137 | 90.1 Ų | 90.1 | 60% | 0.596 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.9 | -44.5 | 171.9 | -74.7 | 173.2 | -178.3 | 169.6 | 0 | 111.8 | S1184 A1185 A1186 Q1190 T1191 V1192 | S1184-K1188 WeakPolarHBondContact O-CB 3.41Å; S1184-K1188 WeakPolarHBondContact O-CD 3.3Å; S1184-K1188 VanDerWaalsContact O-CG 3.27Å; S1184-K1188 WeakPolarHBondContact O-CG 3.43Å; S1184-K1188 PolarHBondContact O-N 3.26Å; S1184-K1188 VanDerWaalsContact O-N 3.17Å; S1184-K1188 PolarHBondContact OG-NZ 2.82Å; A1185-K1188 PolarHBondContact O-N 3.1Å; A1186-K1188 PolarHBondContact O-N 3.07Å; K1188-Q1190 PolarHBondContact O-N 2.97Å; K1188-T1191 WeakPolarHBondContact O-CB 3.07Å; K1188-T1191 PolarHBondContact O-N 3.26Å; K1188-T1191 VanDerWaalsContact O-N 3.11Å; K1188-V1192 WeakPolarHBondContact O-CB 3.39Å; K1188-V1192 WeakPolarHBondContact O-CG2 3.34Å; K1188-V1192 PolarHBondContact O-N 3.09Å |
| 1189 | A | 66.9 | Low | 66.7 | Low | 60.2 Ų | 60.2 | 89.5 Ų | 89.5 | 50% | 0.498 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1185 A1186 T1191 V1192 A1193 | A1185-A1189 VanDerWaalsContact O-CB 3.3Å; A1185-A1189 WeakPolarHBondContact O-CB 3.32Å; A1185-A1189 PolarHBondContact O-N 3.28Å; A1186-A1189 WeakPolarHBondContact O-CB 3.43Å; A1186-A1189 PolarHBondContact O-N 3.12Å; A1186-A1189 VanDerWaalsContact O-N 3.17Å; A1189-T1191 VanDerWaalsContact C-N 3.33Å; A1189-T1191 PolarHBondContact O-N 3.1Å; A1189-V1192 PolarHBondContact O-N 3.12Å; A1189-A1193 VanDerWaalsContact O-CB 3.27Å; A1189-A1193 WeakPolarHBondContact O-CB 3.37Å; A1189-A1193 PolarHBondContact O-N 2.84Å |
| 1190 | Q | 70.3 | Confident | 68.4 | Low | 134.2 Ų | 134.2 | 89.6 Ų | 89.6 | 63% | 0.627 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.2 | -39.3 | 173.6 | -73.6 | 176.6 | -12.7 | 0 | 0 | 112.4 | A1186 K1188 A1193 T1194 | A1186-Q1190 WeakPolarHBondContact O-CB 3.34Å; A1186-Q1190 WeakPolarHBondContact O-CG 3.35Å; A1186-Q1190 PolarHBondContact O-N 3.07Å; K1188-Q1190 PolarHBondContact O-N 2.97Å; Q1190-A1193 PolarHBondContact O-N 3.11Å; Q1190-T1194 WeakPolarHBondContact O-CB 3.37Å; Q1190-T1194 WeakPolarHBondContact O-CG2 3.37Å; Q1190-T1194 PolarHBondContact O-N 3.18Å; Q1190-T1194 PolarHBondContact O-OG1 2.95Å |
| 1191 | T | 73.7 | Confident | 69.8 | Low | 94.2 Ų | 94.2 | 89.1 Ų | 89.1 | 58% | 0.578 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.1 | -42.6 | 176.9 | -56 | 0 | 0 | 0 | 0 | 111.5 | S1187 K1188 A1189 T1194 G1195 | S1187-T1191 WeakPolarHBondContact O-CB 3.41Å; S1187-T1191 PolarHBondContact O-N 3.01Å; S1187-T1191 PolarHBondContact O-OG1 2.87Å; K1188-T1191 WeakPolarHBondContact O-CB 3.07Å; K1188-T1191 PolarHBondContact O-N 3.26Å; K1188-T1191 VanDerWaalsContact O-N 3.11Å; A1189-T1191 VanDerWaalsContact C-N 3.33Å; A1189-T1191 PolarHBondContact O-N 3.1Å; T1191-T1194 PolarHBondContact O-N 2.87Å; T1191-T1194 PolarHBondContact O-OG1 3.17Å; T1191-G1195 PolarHBondContact O-N 3.07Å |
| 1192 | V | 73.7 | Confident | 71.1 | Confident | 103.8 Ų | 103.8 | 84.7 Ų | 84.7 | 63% | 0.629 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.1 | -44 | 175.9 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | K1188 A1189 T1194 G1195 A1196 | K1188-V1192 WeakPolarHBondContact O-CB 3.39Å; K1188-V1192 WeakPolarHBondContact O-CG2 3.34Å; K1188-V1192 PolarHBondContact O-N 3.09Å; A1189-V1192 PolarHBondContact O-N 3.12Å; V1192-T1194 VanDerWaalsContact C-N 3.31Å; V1192-T1194 PolarHBondContact O-N 2.74Å; V1192-G1195 CarbonylContact O-C 3.56Å; V1192-G1195 WeakPolarHBondContact O-CA 3.46Å; V1192-G1195 PolarHBondContact O-N 3.14Å; V1192-G1195 VanDerWaalsContact O-N 3.13Å; V1192-A1196 VanDerWaalsContact O-CB 3.32Å; V1192-A1196 WeakPolarHBondContact O-CB 3.34Å; V1192-A1196 PolarHBondContact O-N 3.1Å |
| 1193 | A | 68.8 | Low | 72.2 | Confident | 56.8 Ų | 56.8 | 82.1 Ų | 82.1 | 47% | 0.469 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1189 Q1190 G1195 A1196 L1197 | A1189-A1193 VanDerWaalsContact O-CB 3.27Å; A1189-A1193 WeakPolarHBondContact O-CB 3.37Å; A1189-A1193 PolarHBondContact O-N 2.84Å; Q1190-A1193 PolarHBondContact O-N 3.11Å; A1193-G1195 VanDerWaalsContact C-N 3.29Å; A1193-G1195 PolarHBondContact O-N 3.14Å; A1193-A1196 PolarHBondContact O-N 3.11Å; A1193-L1197 WeakPolarHBondContact O-CB 3.29Å; A1193-L1197 WeakPolarHBondContact O-CG 3.17Å; A1193-L1197 PolarHBondContact O-N 3.06Å |
| 1194 | T | 75.6 | Confident | 72.9 | Confident | 76.6 Ų | 76.6 | 80.3 Ų | 80.3 | 47% | 0.47 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.3 | -32.2 | 175 | 13.1 | 0 | 0 | 0 | 0 | 112.4 | Q1190 T1191 V1192 K1198 | Q1190-T1194 WeakPolarHBondContact O-CB 3.37Å; Q1190-T1194 WeakPolarHBondContact O-CG2 3.37Å; Q1190-T1194 PolarHBondContact O-N 3.18Å; Q1190-T1194 PolarHBondContact O-OG1 2.95Å; T1191-T1194 PolarHBondContact O-N 2.87Å; T1191-T1194 PolarHBondContact O-OG1 3.17Å; V1192-T1194 VanDerWaalsContact C-N 3.31Å; V1192-T1194 PolarHBondContact O-N 2.74Å; T1194-K1198 WeakPolarHBondContact O-CB 3.39Å; T1194-K1198 VanDerWaalsContact O-CG 3.31Å; T1194-K1198 WeakPolarHBondContact O-CG 3.36Å; T1194-K1198 PolarHBondContact O-N 3.05Å; T1194-K1198 VanDerWaalsContact O-N 3.16Å |
| 1195 | G | 78.9 | Confident | 73.8 | Confident | 35 Ų | 35 | 82.5 Ų | 82.5 | 36% | 0.361 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -49.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1191 V1192 A1193 L1197 K1198 Q1199 | T1191-G1195 PolarHBondContact O-N 3.07Å; V1192-G1195 CarbonylContact O-C 3.56Å; V1192-G1195 WeakPolarHBondContact O-CA 3.46Å; V1192-G1195 PolarHBondContact O-N 3.14Å; V1192-G1195 VanDerWaalsContact O-N 3.13Å; A1193-G1195 VanDerWaalsContact C-N 3.29Å; A1193-G1195 PolarHBondContact O-N 3.14Å; G1195-L1197 VanDerWaalsContact C-N 3.34Å; G1195-L1197 PolarHBondContact O-N 3.05Å; G1195-K1198 WeakPolarHBondContact O-CB 3.45Å; G1195-K1198 PolarHBondContact O-N 3.24Å; G1195-K1198 VanDerWaalsContact O-N 3.1Å; G1195-Q1199 WeakPolarHBondContact O-CB 3.42Å; G1195-Q1199 PolarHBondContact O-N 2.96Å |
| 1196 | A | 75.2 | Confident | 74.8 | Confident | 55 Ų | 55 | 83.1 Ų | 83.1 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1192 A1193 K1198 Q1199 A1200 | V1192-A1196 VanDerWaalsContact O-CB 3.32Å; V1192-A1196 WeakPolarHBondContact O-CB 3.34Å; V1192-A1196 PolarHBondContact O-N 3.1Å; A1193-A1196 PolarHBondContact O-N 3.11Å; A1196-K1198 VanDerWaalsContact C-N 3.32Å; A1196-K1198 PolarHBondContact O-N 2.86Å; A1196-Q1199 PolarHBondContact O-N 2.95Å; A1196-A1200 WeakPolarHBondContact O-CB 3.35Å; A1196-A1200 PolarHBondContact O-N 3.04Å |
| 1197 | L | 78.9 | Confident | 75.6 | Confident | 108.4 Ų | 108.4 | 83.5 Ų | 83.5 | 57% | 0.568 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.3 | -40.7 | 175.5 | -138.6 | 127.9 | 0 | 0 | 0 | 112.3 | A1193 G1195 Q1199 A1200 N1201 | A1193-L1197 WeakPolarHBondContact O-CB 3.29Å; A1193-L1197 WeakPolarHBondContact O-CG 3.17Å; A1193-L1197 PolarHBondContact O-N 3.06Å; G1195-L1197 VanDerWaalsContact C-N 3.34Å; G1195-L1197 PolarHBondContact O-N 3.05Å; L1197-Q1199 VanDerWaalsContact C-N 3.33Å; L1197-Q1199 PolarHBondContact O-N 3.12Å; L1197-A1200 PolarHBondContact O-N 3.32Å; L1197-N1201 WeakPolarHBondContact O-CB 3.19Å; L1197-N1201 VanDerWaalsContact O-CG 3.29Å; L1197-N1201 PolarHBondContact O-N 3.2Å; L1197-N1201 PolarHBondContact O-ND2 2.75Å; L1197-N1201 PolarHBondContact O-OD1 3.15Å |
| 1198 | K | 80.6 | Confident | 76.5 | Confident | 157 Ų | 157 | 87.1 Ų | 87.1 | 68% | 0.683 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64 | -40.5 | 173.6 | -77.4 | -179.3 | 177.6 | -176.2 | 0 | 112.1 | T1194 G1195 A1196 A1202 | T1194-K1198 WeakPolarHBondContact O-CB 3.39Å; T1194-K1198 VanDerWaalsContact O-CG 3.31Å; T1194-K1198 WeakPolarHBondContact O-CG 3.36Å; T1194-K1198 PolarHBondContact O-N 3.05Å; T1194-K1198 VanDerWaalsContact O-N 3.16Å; G1195-K1198 WeakPolarHBondContact O-CB 3.45Å; G1195-K1198 PolarHBondContact O-N 3.24Å; G1195-K1198 VanDerWaalsContact O-N 3.1Å; A1196-K1198 VanDerWaalsContact C-N 3.32Å; A1196-K1198 PolarHBondContact O-N 2.86Å; K1198-A1202 VanDerWaalsContact O-CB 3.27Å; K1198-A1202 WeakPolarHBondContact O-CB 3.39Å; K1198-A1202 PolarHBondContact O-N 2.95Å |
| 1199 | Q | 80.3 | Confident | 77.2 | Confident | 137 Ų | 137 | 85.7 Ų | 85.7 | 64% | 0.64 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.2 | -39.6 | 177.4 | -171.1 | 172.4 | 2.5 | 0 | 0 | 112 | G1195 A1196 L1197 A1202 A1203 | G1195-Q1199 WeakPolarHBondContact O-CB 3.42Å; G1195-Q1199 PolarHBondContact O-N 2.96Å; A1196-Q1199 PolarHBondContact O-N 2.95Å; L1197-Q1199 VanDerWaalsContact C-N 3.33Å; L1197-Q1199 PolarHBondContact O-N 3.12Å; Q1199-A1202 PolarHBondContact O-N 2.91Å; Q1199-A1203 VanDerWaalsContact O-CB 3.31Å; Q1199-A1203 WeakPolarHBondContact O-CB 3.37Å; Q1199-A1203 PolarHBondContact O-N 3.05Å |
| 1200 | A | 77.9 | Confident | 77.9 | Confident | 55 Ų | 55 | 85.5 Ų | 85.5 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | A1196 L1197 A1202 A1203 A1204 | A1196-A1200 WeakPolarHBondContact O-CB 3.35Å; A1196-A1200 PolarHBondContact O-N 3.04Å; L1197-A1200 PolarHBondContact O-N 3.32Å; A1200-A1202 PolarHBondContact O-N 3.26Å; A1200-A1203 PolarHBondContact O-N 3.25Å; A1200-A1204 WeakPolarHBondContact O-CB 3.27Å; A1200-A1204 PolarHBondContact O-N 3.14Å |
| 1201 | N | 77.7 | Confident | 78.3 | Confident | 89.4 Ų | 89.4 | 81.9 Ų | 81.9 | 48% | 0.478 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 176.4 | -70.2 | -2.7 | 0 | 0 | 0 | 111.6 | L1197 A1203 A1204 D1205 | L1197-N1201 WeakPolarHBondContact O-CB 3.19Å; L1197-N1201 VanDerWaalsContact O-CG 3.29Å; L1197-N1201 PolarHBondContact O-N 3.2Å; L1197-N1201 PolarHBondContact O-ND2 2.75Å; L1197-N1201 PolarHBondContact O-OD1 3.15Å; N1201-A1203 VanDerWaalsContact C-N 3.3Å; N1201-A1203 PolarHBondContact O-N 3.07Å; N1201-A1204 WeakPolarHBondContact O-CB 3.43Å; N1201-A1204 PolarHBondContact O-N 3.03Å; N1201-A1204 VanDerWaalsContact O-N 3.13Å; N1201-D1205 PolarHBondContact O-N 3.06Å |
| 1202 | A | 80.2 | Confident | 78.7 | Confident | 58.8 Ų | 58.8 | 81.7 Ų | 81.7 | 49% | 0.486 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -35.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K1198 Q1199 A1200 A1206 | K1198-A1202 VanDerWaalsContact O-CB 3.27Å; K1198-A1202 WeakPolarHBondContact O-CB 3.39Å; K1198-A1202 PolarHBondContact O-N 2.95Å; Q1199-A1202 PolarHBondContact O-N 2.91Å; A1200-A1202 PolarHBondContact O-N 3.26Å; A1202-A1206 VanDerWaalsContact O-CB 3.27Å; A1202-A1206 WeakPolarHBondContact O-CB 3.3Å; A1202-A1206 PolarHBondContact O-N 2.95Å |
| 1203 | A | 77.4 | Confident | 79.2 | Confident | 60.2 Ų | 60.2 | 82.2 Ų | 82.2 | 50% | 0.498 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.1 | -38.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1199 A1200 N1201 A1206 A1207 | Q1199-A1203 VanDerWaalsContact O-CB 3.31Å; Q1199-A1203 WeakPolarHBondContact O-CB 3.37Å; Q1199-A1203 PolarHBondContact O-N 3.05Å; A1200-A1203 PolarHBondContact O-N 3.25Å; N1201-A1203 VanDerWaalsContact C-N 3.3Å; N1201-A1203 PolarHBondContact O-N 3.07Å; A1203-A1206 PolarHBondContact O-N 3.16Å; A1203-A1207 VanDerWaalsContact O-CB 3.31Å; A1203-A1207 WeakPolarHBondContact O-CB 3.4Å; A1203-A1207 PolarHBondContact O-N 3.01Å |
| 1204 | A | 77.9 | Confident | 79.8 | Confident | 58.2 Ų | 58.2 | 81.6 Ų | 81.6 | 48% | 0.481 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1200 N1201 A1206 A1207 K1208 | A1200-A1204 WeakPolarHBondContact O-CB 3.27Å; A1200-A1204 PolarHBondContact O-N 3.14Å; N1201-A1204 WeakPolarHBondContact O-CB 3.43Å; N1201-A1204 PolarHBondContact O-N 3.03Å; N1201-A1204 VanDerWaalsContact O-N 3.13Å; A1204-A1206 VanDerWaalsContact C-N 3.35Å; A1204-A1207 PolarHBondContact O-N 3.23Å; A1204-K1208 VanDerWaalsContact O-CB 3.31Å; A1204-K1208 WeakPolarHBondContact O-CB 3.41Å; A1204-K1208 PolarHBondContact O-N 3Å |
| 1205 | D | 79.3 | Confident | 79.9 | Confident | 98.8 Ų | 98.8 | 80.5 Ų | 80.5 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 175.1 | -76.3 | -37.1 | 0 | 0 | 0 | 111.9 | N1201 A1207 K1208 L1209 | N1201-D1205 PolarHBondContact O-N 3.06Å; D1205-A1207 PolarHBondContact O-N 3.44Å; D1205-K1208 PolarHBondContact O-N 3.21Å; D1205-L1209 WeakPolarHBondContact O-CB 3.23Å; D1205-L1209 WeakPolarHBondContact O-CG 3.36Å; D1205-L1209 PolarHBondContact O-N 3.19Å |
| 1206 | A | 82.4 | Confident | 80.1 | Confident | 58.2 Ų | 58.2 | 85.3 Ų | 85.3 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1202 A1203 A1204 K1208 L1209 A1210 | A1202-A1206 VanDerWaalsContact O-CB 3.27Å; A1202-A1206 WeakPolarHBondContact O-CB 3.3Å; A1202-A1206 PolarHBondContact O-N 2.95Å; A1203-A1206 PolarHBondContact O-N 3.16Å; A1204-A1206 VanDerWaalsContact C-N 3.35Å; A1206-K1208 VanDerWaalsContact C-N 3.34Å; A1206-K1208 PolarHBondContact O-N 3.21Å; A1206-L1209 PolarHBondContact O-N 3.11Å; A1206-A1210 WeakPolarHBondContact O-CB 3.3Å; A1206-A1210 PolarHBondContact O-N 3.14Å |
| 1207 | A | 79.5 | Confident | 80.4 | Confident | 59.6 Ų | 59.6 | 88.8 Ų | 88.8 | 49% | 0.493 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | A1203 A1204 D1205 A1210 A1211 | A1203-A1207 VanDerWaalsContact O-CB 3.31Å; A1203-A1207 WeakPolarHBondContact O-CB 3.4Å; A1203-A1207 PolarHBondContact O-N 3.01Å; A1204-A1207 PolarHBondContact O-N 3.23Å; D1205-A1207 PolarHBondContact O-N 3.44Å; A1207-A1210 PolarHBondContact O-N 3.03Å; A1207-A1211 WeakPolarHBondContact O-CB 3.35Å; A1207-A1211 PolarHBondContact O-N 3Å |
| 1208 | K | 81.6 | Confident | 80.3 | Confident | 135.2 Ų | 135.2 | 90.2 Ų | 90.2 | 59% | 0.588 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.3 | -41 | 175.9 | -171.5 | 176.7 | -178.2 | 179.9 | 0 | 112.2 | A1204 D1205 A1206 A1211 N1212 | A1204-K1208 VanDerWaalsContact O-CB 3.31Å; A1204-K1208 WeakPolarHBondContact O-CB 3.41Å; A1204-K1208 PolarHBondContact O-N 3Å; D1205-K1208 PolarHBondContact O-N 3.21Å; A1206-K1208 VanDerWaalsContact C-N 3.34Å; A1206-K1208 PolarHBondContact O-N 3.21Å; K1208-A1211 PolarHBondContact O-N 3.27Å; K1208-N1212 WeakPolarHBondContact O-CB 3.29Å; K1208-N1212 VanDerWaalsContact O-CG 3.27Å; K1208-N1212 PolarHBondContact O-N 3.25Å; K1208-N1212 VanDerWaalsContact O-N 3.08Å; K1208-N1212 PolarHBondContact O-OD1 3.23Å |
| 1209 | L | 83.9 | Confident | 80.4 | Confident | 109 Ų | 109 | 86.9 Ų | 86.9 | 57% | 0.571 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.3 | -42.2 | 173.5 | -91.5 | 165 | 0 | 0 | 0 | 111.9 | D1205 A1206 A1211 N1212 Q1213 | D1205-L1209 WeakPolarHBondContact O-CB 3.23Å; D1205-L1209 WeakPolarHBondContact O-CG 3.36Å; D1205-L1209 PolarHBondContact O-N 3.19Å; A1206-L1209 PolarHBondContact O-N 3.11Å; L1209-A1211 VanDerWaalsContact C-N 3.34Å; L1209-A1211 PolarHBondContact O-N 3.4Å; L1209-N1212 PolarHBondContact O-N 3.04Å; L1209-Q1213 HydrophobicContact CD2-CG 4.36Å; L1209-Q1213 WeakPolarHBondContact O-CG 3.34Å; L1209-Q1213 PolarHBondContact O-N 3Å |
| 1210 | A | 81.9 | Confident | 80.3 | Confident | 55.2 Ų | 55.2 | 82.7 Ų | 82.7 | 46% | 0.456 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1206 A1207 Q1213 A1214 | A1206-A1210 WeakPolarHBondContact O-CB 3.3Å; A1206-A1210 PolarHBondContact O-N 3.14Å; A1207-A1210 PolarHBondContact O-N 3.03Å; A1210-Q1213 PolarHBondContact O-N 3.07Å; A1210-A1214 WeakPolarHBondContact O-CB 3.3Å; A1210-A1214 PolarHBondContact O-N 3.23Å |
| 1211 | A | 79 | Confident | 80.4 | Confident | 58 Ų | 58 | 85.4 Ų | 85.4 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1207 K1208 L1209 A1214 A1215 | A1207-A1211 WeakPolarHBondContact O-CB 3.35Å; A1207-A1211 PolarHBondContact O-N 3Å; K1208-A1211 PolarHBondContact O-N 3.27Å; L1209-A1211 VanDerWaalsContact C-N 3.34Å; L1209-A1211 PolarHBondContact O-N 3.4Å; A1211-A1214 PolarHBondContact O-N 3.05Å; A1211-A1215 WeakPolarHBondContact O-CB 3.19Å; A1211-A1215 PolarHBondContact O-N 3.26Å |
| 1212 | N | 82 | Confident | 80.4 | Confident | 91.2 Ų | 91.2 | 83.9 Ų | 83.9 | 49% | 0.488 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 175 | -72.4 | -3.5 | 0 | 0 | 0 | 111.8 | K1208 L1209 A1214 A1215 E1216 | K1208-N1212 WeakPolarHBondContact O-CB 3.29Å; K1208-N1212 VanDerWaalsContact O-CG 3.27Å; K1208-N1212 PolarHBondContact O-N 3.25Å; K1208-N1212 VanDerWaalsContact O-N 3.08Å; K1208-N1212 PolarHBondContact O-OD1 3.23Å; L1209-N1212 PolarHBondContact O-N 3.04Å; N1212-A1214 VanDerWaalsContact C-N 3.32Å; N1212-A1214 PolarHBondContact O-N 3.36Å; N1212-A1215 WeakPolarHBondContact O-CB 3.33Å; N1212-A1215 PolarHBondContact O-N 3.08Å; N1212-A1215 VanDerWaalsContact O-N 3.08Å; N1212-E1216 WeakPolarHBondContact O-CG 3.43Å; N1212-E1216 PolarHBondContact O-N 3.09Å |
| 1213 | Q | 84.7 | Confident | 80.3 | Confident | 114.4 Ų | 114.4 | 85.1 Ų | 85.1 | 54% | 0.535 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -37.2 | 176.2 | -74.1 | -178.8 | -8.7 | 0 | 0 | 112.5 | L1209 A1210 E1216 Q1217 | L1209-Q1213 HydrophobicContact CD2-CG 4.36Å; L1209-Q1213 WeakPolarHBondContact O-CG 3.34Å; L1209-Q1213 PolarHBondContact O-N 3Å; A1210-Q1213 PolarHBondContact O-N 3.07Å; Q1213-E1216 PolarHBondContact O-N 3.04Å; Q1213-Q1217 WeakPolarHBondContact O-CG 3.31Å; Q1213-Q1217 PolarHBondContact O-N 3.01Å |
| 1214 | A | 80.3 | Confident | 80.3 | Confident | 43.8 Ų | 43.8 | 87.4 Ų | 87.4 | 36% | 0.362 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65 | -42 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1210 A1211 N1212 E1216 Q1217 F1218 | A1210-A1214 WeakPolarHBondContact O-CB 3.3Å; A1210-A1214 PolarHBondContact O-N 3.23Å; A1211-A1214 PolarHBondContact O-N 3.05Å; N1212-A1214 VanDerWaalsContact C-N 3.32Å; N1212-A1214 PolarHBondContact O-N 3.36Å; A1214-E1216 PolarHBondContact O-N 2.89Å; A1214-Q1217 PolarHBondContact O-N 3.22Å; A1214-F1218 VanDerWaalsContact O-CD2 3.23Å; A1214-F1218 WeakPolarHBondContact O-CD2 3.35Å; A1214-F1218 PolarHBondContact O-N 3.17Å |
| 1215 | A | 78.8 | Confident | 80.2 | Confident | 53.2 Ų | 53.2 | 88.5 Ų | 88.5 | 44% | 0.44 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1211 N1212 Q1217 F1218 V1219 | A1211-A1215 WeakPolarHBondContact O-CB 3.19Å; A1211-A1215 PolarHBondContact O-N 3.26Å; N1212-A1215 WeakPolarHBondContact O-CB 3.33Å; N1212-A1215 PolarHBondContact O-N 3.08Å; N1212-A1215 VanDerWaalsContact O-N 3.08Å; A1215-Q1217 VanDerWaalsContact C-N 3.33Å; A1215-Q1217 PolarHBondContact O-N 2.98Å; A1215-F1218 WeakPolarHBondContact O-CB 3.16Å; A1215-F1218 PolarHBondContact O-N 3.14Å; A1215-V1219 WeakPolarHBondContact O-CB 3.46Å; A1215-V1219 WeakPolarHBondContact O-CG2 3.37Å; A1215-V1219 PolarHBondContact O-N 3.18Å |
| 1216 | E | 82.2 | Confident | 79.7 | Confident | 135.4 Ų | 135.4 | 86.8 Ų | 86.8 | 63% | 0.633 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.2 | -41.8 | 173.8 | -73.4 | 177 | 176 | 0 | 0 | 112 | N1212 Q1213 A1214 F1218 V1219 A1220 | N1212-E1216 WeakPolarHBondContact O-CG 3.43Å; N1212-E1216 PolarHBondContact O-N 3.09Å; Q1213-E1216 PolarHBondContact O-N 3.04Å; A1214-E1216 PolarHBondContact O-N 2.89Å; E1216-F1218 VanDerWaalsContact C-N 3.34Å; E1216-F1218 PolarHBondContact O-N 2.78Å; E1216-V1219 PolarHBondContact O-N 3.21Å; E1216-A1220 VanDerWaalsContact O-CB 3.31Å; E1216-A1220 WeakPolarHBondContact O-CB 3.36Å; E1216-A1220 PolarHBondContact O-N 2.85Å |
| 1217 | Q | 82.3 | Confident | 79.2 | Confident | 129.8 Ų | 129.8 | 90.2 Ų | 90.2 | 61% | 0.607 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65 | -40.7 | 174.8 | -73.5 | -179.3 | 19.1 | 0 | 0 | 112.6 | Q1213 A1214 A1215 V1219 A1220 Q1221 | Q1213-Q1217 WeakPolarHBondContact O-CG 3.31Å; Q1213-Q1217 PolarHBondContact O-N 3.01Å; A1214-Q1217 PolarHBondContact O-N 3.22Å; A1215-Q1217 VanDerWaalsContact C-N 3.33Å; A1215-Q1217 PolarHBondContact O-N 2.98Å; Q1217-V1219 PolarHBondContact O-N 2.97Å; Q1217-A1220 PolarHBondContact O-N 3.08Å; Q1217-Q1221 WeakPolarHBondContact O-CB 3.31Å; Q1217-Q1221 WeakPolarHBondContact O-CG 3.31Å; Q1217-Q1221 PolarHBondContact O-N 3.2Å |
| 1218 | F | 77.2 | Confident | 78.8 | Confident | 137 Ų | 137 | 95.3 Ų | 95.3 | 60% | 0.601 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.7 | -42.6 | 174.9 | -93.1 | -75.2 | 0 | 0 | 0 | 112.2 | A1214 A1215 E1216 A1220 Q1221 A1222 | A1214-F1218 VanDerWaalsContact O-CD2 3.23Å; A1214-F1218 WeakPolarHBondContact O-CD2 3.35Å; A1214-F1218 PolarHBondContact O-N 3.17Å; A1215-F1218 WeakPolarHBondContact O-CB 3.16Å; A1215-F1218 PolarHBondContact O-N 3.14Å; E1216-F1218 VanDerWaalsContact C-N 3.34Å; E1216-F1218 PolarHBondContact O-N 2.78Å; F1218-A1220 VanDerWaalsContact C-N 3.33Å; F1218-A1220 PolarHBondContact O-N 3.09Å; F1218-Q1221 PolarHBondContact O-N 3.04Å; F1218-A1222 VanDerWaalsContact O-CB 3.28Å; F1218-A1222 WeakPolarHBondContact O-CB 3.33Å; F1218-A1222 PolarHBondContact O-N 3.06Å |
| 1219 | V | 81.8 | Confident | 78.2 | Confident | 87.8 Ų | 87.8 | 92.2 Ų | 92.2 | 53% | 0.532 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 175 | 172.1 | 0 | 0 | 0 | 0 | 111 | A1215 E1216 Q1217 Q1221 A1222 N1223 | A1215-V1219 WeakPolarHBondContact O-CB 3.46Å; A1215-V1219 WeakPolarHBondContact O-CG2 3.37Å; A1215-V1219 PolarHBondContact O-N 3.18Å; E1216-V1219 PolarHBondContact O-N 3.21Å; Q1217-V1219 PolarHBondContact O-N 2.97Å; V1219-Q1221 VanDerWaalsContact C-N 3.34Å; V1219-Q1221 PolarHBondContact O-N 3.07Å; V1219-A1222 PolarHBondContact O-N 2.87Å; V1219-N1223 WeakPolarHBondContact CG1-ND2 3.31Å; V1219-N1223 WeakPolarHBondContact O-CB 3.37Å; V1219-N1223 VanDerWaalsContact O-CG 3.3Å; V1219-N1223 PolarHBondContact O-N 3.27Å; V1219-N1223 PolarHBondContact O-ND2 3.27Å |
| 1220 | A | 79.1 | Confident | 77.5 | Confident | 48.4 Ų | 48.4 | 90.5 Ų | 90.5 | 40% | 0.4 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1216 Q1217 F1218 N1223 Q1224 | E1216-A1220 VanDerWaalsContact O-CB 3.31Å; E1216-A1220 WeakPolarHBondContact O-CB 3.36Å; E1216-A1220 PolarHBondContact O-N 2.85Å; Q1217-A1220 PolarHBondContact O-N 3.08Å; F1218-A1220 VanDerWaalsContact C-N 3.33Å; F1218-A1220 PolarHBondContact O-N 3.09Å; A1220-N1223 PolarHBondContact O-N 3.15Å; A1220-Q1224 WeakPolarHBondContact O-CG 3.4Å; A1220-Q1224 PolarHBondContact O-N 2.9Å; A1220-Q1224 VanDerWaalsContact O-N 3.09Å |
| 1221 | Q | 79.9 | Confident | 76.8 | Confident | 111.8 Ų | 111.8 | 90.9 Ų | 90.9 | 52% | 0.522 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.4 | -44.4 | 175.5 | -109.5 | -177.5 | 12.1 | 0 | 0 | 112 | Q1217 F1218 V1219 N1223 Q1224 V1225 | Q1217-Q1221 WeakPolarHBondContact O-CB 3.31Å; Q1217-Q1221 WeakPolarHBondContact O-CG 3.31Å; Q1217-Q1221 PolarHBondContact O-N 3.2Å; F1218-Q1221 PolarHBondContact O-N 3.04Å; V1219-Q1221 VanDerWaalsContact C-N 3.34Å; V1219-Q1221 PolarHBondContact O-N 3.07Å; Q1221-N1223 VanDerWaalsContact C-N 3.31Å; Q1221-N1223 PolarHBondContact O-N 3.08Å; Q1221-Q1224 PolarHBondContact O-N 3.19Å; Q1221-Q1224 VanDerWaalsContact O-N 3.13Å; Q1221-V1225 WeakPolarHBondContact O-CG2 3.36Å; Q1221-V1225 PolarHBondContact O-N 3.05Å |
| 1222 | A | 76 | Confident | 76.1 | Confident | 57.8 Ų | 57.8 | 94.3 Ų | 94.3 | 48% | 0.478 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.9 | -42.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1218 V1219 V1225 S1226 | F1218-A1222 VanDerWaalsContact O-CB 3.28Å; F1218-A1222 WeakPolarHBondContact O-CB 3.33Å; F1218-A1222 PolarHBondContact O-N 3.06Å; V1219-A1222 PolarHBondContact O-N 2.87Å; A1222-V1225 PolarHBondContact O-N 3.12Å; A1222-S1226 WeakPolarHBondContact O-CB 3.23Å; A1222-S1226 PolarHBondContact O-N 3.15Å |
| 1223 | N | 79.3 | Confident | 74.9 | Confident | 85 Ų | 85 | 95.3 Ų | 95.3 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 175 | -75.6 | -37 | 0 | 0 | 0 | 112.5 | V1219 A1220 Q1221 S1226 Q1227 | V1219-N1223 WeakPolarHBondContact CG1-ND2 3.31Å; V1219-N1223 WeakPolarHBondContact O-CB 3.37Å; V1219-N1223 VanDerWaalsContact O-CG 3.3Å; V1219-N1223 PolarHBondContact O-N 3.27Å; V1219-N1223 PolarHBondContact O-ND2 3.27Å; A1220-N1223 PolarHBondContact O-N 3.15Å; Q1221-N1223 VanDerWaalsContact C-N 3.31Å; Q1221-N1223 PolarHBondContact O-N 3.08Å; N1223-S1226 PolarHBondContact O-N 2.99Å; N1223-Q1227 WeakPolarHBondContact O-CB 3.22Å; N1223-Q1227 VanDerWaalsContact O-CG 3.3Å; N1223-Q1227 WeakPolarHBondContact O-CG 3.26Å; N1223-Q1227 PolarHBondContact O-N 3.09Å |
| 1224 | Q | 77.4 | Confident | 73.8 | Confident | 108.2 Ų | 108.2 | 96.3 Ų | 96.3 | 51% | 0.506 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 174.7 | -73.3 | -175.3 | 28.9 | 0 | 0 | 112.8 | A1220 Q1221 Q1227 R1228 | A1220-Q1224 WeakPolarHBondContact O-CG 3.4Å; A1220-Q1224 PolarHBondContact O-N 2.9Å; A1220-Q1224 VanDerWaalsContact O-N 3.09Å; Q1221-Q1224 PolarHBondContact O-N 3.19Å; Q1221-Q1224 VanDerWaalsContact O-N 3.13Å; Q1224-Q1227 PolarHBondContact O-N 3.21Å; Q1224-R1228 WeakPolarHBondContact O-CB 3.17Å; Q1224-R1228 VanDerWaalsContact O-CG 3.31Å; Q1224-R1228 WeakPolarHBondContact O-CG 3.34Å; Q1224-R1228 PolarHBondContact O-N 3.25Å; Q1224-R1228 VanDerWaalsContact O-N 3.12Å |
| 1225 | V | 75.9 | Confident | 72.8 | Confident | 80.4 Ų | 80.4 | 101.2 Ų | 101.2 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.1 | -48.4 | 174.9 | 173.2 | 0 | 0 | 0 | 0 | 110.1 | P1064 Q1221 A1222 Q1227 R1228 T1229 | P1064-V1225 HydrophobicContact CB-CG2 4.48Å; P1064-V1225 HydrophobicContact CG-CG1 4.32Å; P1064-V1225 HydrophobicContact CG-CG2 3.92Å; Q1221-V1225 WeakPolarHBondContact O-CG2 3.36Å; Q1221-V1225 PolarHBondContact O-N 3.05Å; A1222-V1225 PolarHBondContact O-N 3.12Å; V1225-Q1227 VanDerWaalsContact C-N 3.34Å; V1225-Q1227 PolarHBondContact O-N 3.11Å; V1225-R1228 PolarHBondContact O-N 3Å; V1225-R1228 VanDerWaalsContact O-N 3.09Å; V1225-T1229 PolarHBondContact O-N 3.26Å; V1225-T1229 PolarHBondContact O-OG1 3.01Å; V1225-T1229 VanDerWaalsContact O-OG1 3.12Å |
| 1226 | S | 68 | Low | 71.4 | Confident | 63.8 Ų | 63.8 | 106 Ų | 106 | 45% | 0.446 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -57.7 | -43.4 | 177.5 | -173.5 | 0 | 0 | 0 | 0 | 112.8 | A1222 N1223 R1228 T1229 T1230 | A1222-S1226 WeakPolarHBondContact O-CB 3.23Å; A1222-S1226 PolarHBondContact O-N 3.15Å; N1223-S1226 PolarHBondContact O-N 2.99Å; S1226-R1228 VanDerWaalsContact C-N 3.34Å; S1226-R1228 PolarHBondContact O-N 2.97Å; S1226-T1229 PolarHBondContact O-N 3.18Å; S1226-T1230 WeakPolarHBondContact O-CB 3.27Å; S1226-T1230 WeakPolarHBondContact O-CG2 3.44Å; S1226-T1230 PolarHBondContact O-N 3.21Å; S1226-T1230 PolarHBondContact O-OG1 3Å; S1226-T1230 VanDerWaalsContact O-OG1 3.11Å |
| 1227 | Q | 72.2 | Confident | 69.8 | Low | 128.4 Ų | 128.4 | 107 Ų | 107 | 60% | 0.6 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.9 | -39.3 | 175.5 | -74.5 | 176.9 | 8.2 | 0 | 0 | 112.8 | N1223 Q1224 V1225 T1229 T1230 S1231 | N1223-Q1227 WeakPolarHBondContact O-CB 3.22Å; N1223-Q1227 VanDerWaalsContact O-CG 3.3Å; N1223-Q1227 WeakPolarHBondContact O-CG 3.26Å; N1223-Q1227 PolarHBondContact O-N 3.09Å; Q1224-Q1227 PolarHBondContact O-N 3.21Å; V1225-Q1227 VanDerWaalsContact C-N 3.34Å; V1225-Q1227 PolarHBondContact O-N 3.11Å; Q1227-T1229 PolarHBondContact O-N 3.48Å; Q1227-T1230 WeakPolarHBondContact CA-OG1 3.43Å; Q1227-T1230 PolarHBondContact O-N 3.49Å; Q1227-T1230 PolarHBondContact O-OG1 3.1Å; Q1227-T1230 VanDerWaalsContact O-OG1 3.1Å; Q1227-S1231 WeakPolarHBondContact O-CB 3.32Å; Q1227-S1231 PolarHBondContact O-N 3.06Å; Q1227-S1231 VanDerWaalsContact O-N 3.1Å; Q1227-S1231 PolarHBondContact O-OG 3Å |
| 1228 | R | 71.9 | Confident | 68.1 | Low | 166.8 Ų | 166.8 | 109.2 Ų | 109.2 | 63% | 0.629 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.3 | -44.1 | 175.7 | -74.3 | 176.9 | -178.1 | -176.7 | 3.3 | 111.8 | Q1224 V1225 S1226 S1231 Q1232 | Q1224-R1228 WeakPolarHBondContact O-CB 3.17Å; Q1224-R1228 VanDerWaalsContact O-CG 3.31Å; Q1224-R1228 WeakPolarHBondContact O-CG 3.34Å; Q1224-R1228 PolarHBondContact O-N 3.25Å; Q1224-R1228 VanDerWaalsContact O-N 3.12Å; V1225-R1228 PolarHBondContact O-N 3Å; V1225-R1228 VanDerWaalsContact O-N 3.09Å; S1226-R1228 VanDerWaalsContact C-N 3.34Å; S1226-R1228 PolarHBondContact O-N 2.97Å; R1228-S1231 WeakPolarHBondContact O-CB 3.16Å; R1228-S1231 PolarHBondContact O-N 3.32Å; R1228-Q1232 WeakPolarHBondContact O-CG 3.2Å; R1228-Q1232 PolarHBondContact O-N 2.88Å |
| 1229 | T | 67.7 | Low | 66.2 | Low | 70.8 Ų | 70.8 | 107 Ų | 107 | 43% | 0.434 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.9 | -45.9 | 178.1 | -52.8 | 0 | 0 | 0 | 0 | 111.5 | V1225 S1226 Q1227 S1231 Q1232 M1233 | V1225-T1229 PolarHBondContact O-N 3.26Å; V1225-T1229 PolarHBondContact O-OG1 3.01Å; V1225-T1229 VanDerWaalsContact O-OG1 3.12Å; S1226-T1229 PolarHBondContact O-N 3.18Å; Q1227-T1229 PolarHBondContact O-N 3.48Å; T1229-S1231 VanDerWaalsContact C-N 3.33Å; T1229-S1231 PolarHBondContact O-N 3.27Å; T1229-Q1232 PolarHBondContact O-N 3.16Å; T1229-M1233 HydrophobicContact CG2-SD 4.34Å; T1229-M1233 WeakPolarHBondContact O-CB 3.26Å; T1229-M1233 WeakPolarHBondContact O-CG 3.36Å; T1229-M1233 PolarHBondContact O-N 3.03Å |
| 1230 | T | 69.4 | Low | 64 | Low | 73 Ų | 73 | 111.1 Ų | 111.1 | 45% | 0.448 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.1 | -38.5 | 177 | 33 | 0 | 0 | 0 | 0 | 112.4 | S1226 Q1227 M1233 Q1234 | S1226-T1230 WeakPolarHBondContact O-CB 3.27Å; S1226-T1230 WeakPolarHBondContact O-CG2 3.44Å; S1226-T1230 PolarHBondContact O-N 3.21Å; S1226-T1230 PolarHBondContact O-OG1 3Å; S1226-T1230 VanDerWaalsContact O-OG1 3.11Å; Q1227-T1230 WeakPolarHBondContact CA-OG1 3.43Å; Q1227-T1230 PolarHBondContact O-N 3.49Å; Q1227-T1230 PolarHBondContact O-OG1 3.1Å; Q1227-T1230 VanDerWaalsContact O-OG1 3.1Å; T1230-M1233 PolarHBondContact O-N 3.14Å; T1230-Q1234 WeakPolarHBondContact O-CG 3.3Å; T1230-Q1234 PolarHBondContact O-N 3.11Å; T1230-Q1234 VanDerWaalsContact O-N 3.09Å |
| 1231 | S | 66.7 | Low | 61.9 | Low | 63.2 Ų | 63.2 | 114.4 Ų | 114.4 | 44% | 0.442 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.7 | -41.2 | 175.2 | -60.2 | 0 | 0 | 0 | 0 | 112.7 | Q1227 R1228 T1229 Q1234 Q1235 | Q1227-S1231 WeakPolarHBondContact O-CB 3.32Å; Q1227-S1231 PolarHBondContact O-N 3.06Å; Q1227-S1231 VanDerWaalsContact O-N 3.1Å; Q1227-S1231 PolarHBondContact O-OG 3Å; R1228-S1231 WeakPolarHBondContact O-CB 3.16Å; R1228-S1231 PolarHBondContact O-N 3.32Å; T1229-S1231 VanDerWaalsContact C-N 3.33Å; T1229-S1231 PolarHBondContact O-N 3.27Å; S1231-Q1234 PolarHBondContact O-N 2.84Å; S1231-Q1235 WeakPolarHBondContact O-CG 3.29Å; S1231-Q1235 PolarHBondContact O-N 3.24Å; S1231-Q1235 VanDerWaalsContact O-N 3.12Å |
| 1232 | Q | 64.7 | Low | 59.6 | Low | 130.4 Ų | 130.4 | 118.8 Ų | 118.8 | 61% | 0.609 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.5 | -40.6 | 175.9 | -75.6 | -177.5 | -21 | 0 | 0 | 112.1 | R1228 T1229 Q1234 Q1235 Q1236 | R1228-Q1232 WeakPolarHBondContact O-CG 3.2Å; R1228-Q1232 PolarHBondContact O-N 2.88Å; T1229-Q1232 PolarHBondContact O-N 3.16Å; Q1232-Q1234 VanDerWaalsContact C-N 3.33Å; Q1232-Q1234 PolarHBondContact O-N 3.08Å; Q1232-Q1235 PolarHBondContact O-N 3.05Å; Q1232-Q1236 PolarHBondContact O-N 3.12Å; Q1232-Q1236 VanDerWaalsContact O-N 3.1Å |
| 1233 | M | 57.3 | Low | 57.7 | Low | 111.4 Ų | 111.4 | 125.2 Ų | 125.2 | 55% | 0.549 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -63.6 | -38.4 | 175.7 | -70.8 | -159.8 | 67.9 | 0 | 0 | 112.6 | T1229 T1230 Q1236 Q1237 | T1229-M1233 HydrophobicContact CG2-SD 4.34Å; T1229-M1233 WeakPolarHBondContact O-CB 3.26Å; T1229-M1233 WeakPolarHBondContact O-CG 3.36Å; T1229-M1233 PolarHBondContact O-N 3.03Å; T1230-M1233 PolarHBondContact O-N 3.14Å; M1233-Q1236 PolarHBondContact O-N 3.18Å; M1233-Q1237 WeakPolarHBondContact O-CG 3.32Å; M1233-Q1237 PolarHBondContact O-N 3.24Å; M1233-Q1237 VanDerWaalsContact O-N 3.12Å |
| 1234 | Q | 61.7 | Low | 55.3 | Low | 135.4 Ų | 135.4 | 126.2 Ų | 126.2 | 63% | 0.633 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.2 | -35.6 | 176 | -74.9 | -174.9 | -10.3 | 0 | 0 | 112.9 | T1230 S1231 Q1232 Q1236 Q1237 Q1238 | T1230-Q1234 WeakPolarHBondContact O-CG 3.3Å; T1230-Q1234 PolarHBondContact O-N 3.11Å; T1230-Q1234 VanDerWaalsContact O-N 3.09Å; S1231-Q1234 PolarHBondContact O-N 2.84Å; Q1232-Q1234 VanDerWaalsContact C-N 3.33Å; Q1232-Q1234 PolarHBondContact O-N 3.08Å; Q1234-Q1236 VanDerWaalsContact C-N 3.31Å; Q1234-Q1236 PolarHBondContact O-N 3.02Å; Q1234-Q1237 PolarHBondContact O-N 3.05Å; Q1234-Q1238 PolarHBondContact O-N 3.1Å |
| 1235 | Q | 58.2 | Low | 53.2 | Low | 147.2 Ų | 147.2 | 127.5 Ų | 127.5 | 69% | 0.688 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -68.4 | -31.2 | 176.7 | -74.4 | -178.1 | -10.5 | 0 | 0 | 113 | S1231 Q1232 Q1237 Q1238 S1239 | S1231-Q1235 WeakPolarHBondContact O-CG 3.29Å; S1231-Q1235 PolarHBondContact O-N 3.24Å; S1231-Q1235 VanDerWaalsContact O-N 3.12Å; Q1232-Q1235 PolarHBondContact O-N 3.05Å; Q1235-Q1237 VanDerWaalsContact C-N 3.31Å; Q1235-Q1237 PolarHBondContact O-N 3.28Å; Q1235-Q1238 PolarHBondContact O-N 3.11Å; Q1235-Q1238 VanDerWaalsContact O-N 3.14Å; Q1235-S1239 PolarHBondContact O-OG 3.4Å |
| 1236 | Q | 51 | Low | 51.1 | Low | 154.2 Ų | 154.2 | 131.9 Ų | 131.9 | 72% | 0.721 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -75.9 | -17.9 | 176.2 | -72 | -175.2 | -12.3 | 0 | 0 | 114 | Q1232 M1233 Q1234 Q1238 S1239 | Q1232-Q1236 PolarHBondContact O-N 3.12Å; Q1232-Q1236 VanDerWaalsContact O-N 3.1Å; M1233-Q1236 PolarHBondContact O-N 3.18Å; Q1234-Q1236 VanDerWaalsContact C-N 3.31Å; Q1234-Q1236 PolarHBondContact O-N 3.02Å; Q1236-Q1238 VanDerWaalsContact C-N 3.3Å; Q1236-Q1238 PolarHBondContact O-N 3.38Å; Q1236-S1239 WeakPolarHBondContact CA-OG 3.25Å; Q1236-S1239 PolarHBondContact O-OG 3.23Å |
| 1237 | Q | 48.5 | Very low | 49.3 | Very low | 156 Ų | 156 | 136.1 Ų | 136.1 | 73% | 0.729 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -88.9 | -3.7 | 179.4 | -70 | -176.1 | 8.7 | 0 | 0 | 114.6 | M1233 Q1234 Q1235 | M1233-Q1237 WeakPolarHBondContact O-CG 3.32Å; M1233-Q1237 PolarHBondContact O-N 3.24Å; M1233-Q1237 VanDerWaalsContact O-N 3.12Å; Q1234-Q1237 PolarHBondContact O-N 3.05Å; Q1235-Q1237 VanDerWaalsContact C-N 3.31Å; Q1235-Q1237 PolarHBondContact O-N 3.28Å |
| 1238 | Q | 46.3 | Very low | 47.3 | Very low | 176.6 Ų | 176.6 | 134.8 Ų | 134.8 | 83% | 0.825 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -106 | 8.8 | -178.9 | -68.8 | -170.9 | -11.3 | 0 | 0 | 114.7 | Q1234 Q1235 Q1236 | Q1234-Q1238 PolarHBondContact O-N 3.1Å; Q1235-Q1238 PolarHBondContact O-N 3.11Å; Q1235-Q1238 VanDerWaalsContact O-N 3.14Å; Q1236-Q1238 VanDerWaalsContact C-N 3.3Å; Q1236-Q1238 PolarHBondContact O-N 3.38Å |
| 1239 | S | 37.9 | Very low | 45.4 | Very low | 89.4 Ų | 89.4 | 133.3 Ų | 133.3 | 63% | 0.625 | 70% | 0.703 | S | S | * | * | trans | -126.4 | 56.9 | -176.2 | 51.5 | 0 | 0 | 0 | 0 | 115.1 | Q1235 Q1236 | Q1235-S1239 PolarHBondContact O-OG 3.4Å; Q1236-S1239 WeakPolarHBondContact CA-OG 3.25Å; Q1236-S1239 PolarHBondContact O-OG 3.23Å | ||
| 1240 | Q | 34.5 | Very low | 43.7 | Very low | 174.2 Ų | 174.2 | 134.9 Ų | 134.9 | 81% | 0.814 | 72% | 0.718 | S | S | * | * | trans | -126.5 | 126 | 163.1 | -77.9 | -103.8 | -16.7 | 0 | 0 | 110.8 | ||||
| 1241 | P | 35.6 | Very low | 42 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | trans | -76.7 | 150.8 | 176.3 | 22.9 | -21.9 | 0 | 0 | 0 | 112 | E1243 | P1241-E1243 PolarHBondContact O-N 2.95Å; P1241-E1243 VanDerWaalsContact O-N 3.15Å | ||
| 1242 | K | 31.7 | Very low | 40.3 | Very low | 205.6 Ų | 205.6 | 143.6 Ų | 143.6 | 89% | 0.894 | 75% | 0.751 | S | S | * | * | trans | -92.1 | 121 | 174.2 | -66.9 | 177.2 | 178.7 | 176.6 | 0 | 110.4 | S1244 | K1242-S1244 PolarHBondContact O-N 3.03Š| ||
| 1243 | E | 34.6 | Very low | 38.8 | Very low | 190.2 Ų | 190.2 | 146.8 Ų | 146.8 | 89% | 0.889 | 76% | 0.763 | S | S | * | * | trans | -115.6 | 150.2 | 155.5 | -87.7 | -173.5 | 171.6 | 0 | 0 | 110.6 | P1241 V1245 | P1241-E1243 PolarHBondContact O-N 2.95Å; P1241-E1243 VanDerWaalsContact O-N 3.15Å; E1243-V1245 PolarHBondContact O-N 3.05Å | ||
| 1244 | S | 29.5 | Very low | 37.4 | Very low | 107.6 Ų | 107.6 | 145.6 Ų | 145.6 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | -135.7 | 115.4 | -162.1 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | K1242 Q1246 | K1242-S1244 PolarHBondContact O-N 3.03Å; S1244-Q1246 PolarHBondContact O-N 3.42Å | ||
| 1245 | V | 33.5 | Very low | 36 | Very low | 134.4 Ų | 134.4 | 146.5 Ų | 146.5 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | trans | -135.5 | 127.7 | 162.7 | 171 | 0 | 0 | 0 | 0 | 110.6 | E1243 L1247 | E1243-V1245 PolarHBondContact O-N 3.05Å; V1245-L1247 HydrophobicContact CG1-CD1 4.36Å; V1245-L1247 PolarHBondContact O-N 3.06Å | ||
| 1246 | Q | 31 | Very low | 34.8 | Very low | 173.4 Ų | 173.4 | 145.2 Ų | 145.2 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -83.1 | 148 | 148.2 | -74.5 | 177.8 | 3.8 | 0 | 0 | 112.2 | S1244 S1248 | S1244-Q1246 PolarHBondContact O-N 3.42Å; Q1246-S1248 PolarHBondContact O-N 3.18Å | ||
| 1247 | L | 30.3 | Very low | 33.7 | Very low | 152.8 Ų | 152.8 | 145 Ų | 145 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | trans | -113.7 | 136.6 | 131.6 | -138.1 | 83.8 | 0 | 0 | 0 | 112.7 | V1245 T1249 | V1245-L1247 HydrophobicContact CG1-CD1 4.36Å; V1245-L1247 PolarHBondContact O-N 3.06Å; L1247-T1249 PolarHBondContact O-N 3.04Å | ||
| 1248 | S | 31 | Very low | 33 | Very low | 100 Ų | 100 | 143.8 Ų | 143.8 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | -80.3 | 120 | 156.5 | 48.1 | 0 | 0 | 0 | 0 | 117.2 | Q1246 | Q1246-S1248 PolarHBondContact O-N 3.18Š| ||
| 1249 | T | 31.9 | Very low | 32.4 | Very low | 135.2 Ų | 135.2 | 142.4 Ų | 142.4 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | -9.4 | 123.5 | 153.2 | 39.4 | 0 | 0 | 0 | 0 | 115.9 | L1247 | L1247-T1249 PolarHBondContact O-N 3.04Š| ||
| 1250 | S | 32.6 | Very low | 32.2 | Very low | 105.2 Ų | 105.2 | 145.4 Ų | 145.4 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | -153.9 | 152.6 | 89.5 | 52.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1251 | H | 32.4 | Very low | 32.2 | Very low | 169.2 Ų | 169.2 | 142.4 Ų | 142.4 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | trans | 31.4 | 132.1 | 165.7 | -76.2 | -22.6 | 0 | 0 | 0 | 118.4 | ||||
| 1252 | N | 31.8 | Very low | 31.9 | Very low | 149.8 Ų | 149.8 | 145 Ų | 145 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | 161.9 | 125.8 | 123.6 | -84.5 | -38.9 | 0 | 0 | 0 | 115 | |||||
| 1253 | K | 32.4 | Very low | 31.7 | Very low | 197 Ų | 197 | 140 Ų | 140 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | -52.8 | 139.7 | 136.7 | -102 | 174.1 | -178.8 | 178.2 | 0 | 115.3 | ||||
| 1254 | A | 30 | Very low | 31.5 | Very low | 87 Ų | 87 | 138.4 Ų | 138.4 | 72% | 0.719 | 77% | 0.77 | S | S | * | * | trans | -125 | 150.7 | 137.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1255 | I | 32 | Very low | 31.5 | Very low | 154.4 Ų | 154.4 | 138.1 Ų | 138.1 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | trans | 109.3 | 132 | 152.8 | -74.5 | 162.6 | 0 | 0 | 0 | 113.8 | ||||
| 1256 | T | 31.8 | Very low | 31.5 | Very low | 118.2 Ų | 118.2 | 140.3 Ų | 140.3 | 73% | 0.725 | 77% | 0.767 | S | S | * | * | 116.7 | 138.8 | 73.4 | -41.2 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1257 | M | 29.1 | Very low | 31.9 | Very low | 151.6 Ų | 151.6 | 137.5 Ų | 137.5 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | trans | 29.9 | 141.7 | 135.4 | -67.6 | -133 | -70.7 | 0 | 0 | 118.6 | ||||
| 1258 | N | 33.1 | Very low | 31.9 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 69% | 0.69 | 76% | 0.759 | S | S | * | * | trans | 81.6 | 150.5 | 130.7 | -72.6 | -9.7 | 0 | 0 | 0 | 119.6 | ||||
| 1259 | N | 33.3 | Very low | 31.9 | Very low | 148.6 Ų | 148.6 | 138.5 Ų | 138.5 | 80% | 0.795 | 76% | 0.762 | S | S | * | * | trans | 162.5 | 135.2 | 165.3 | -74.5 | -38.9 | 0 | 0 | 0 | 113.3 | ||||
| 1260 | I | 34.1 | Very low | 31.9 | Very low | 152.2 Ų | 152.2 | 137.8 Ų | 137.8 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | trans | 56.4 | 135.5 | 144.7 | -70.1 | 164.3 | 0 | 0 | 0 | 111.9 | E1262 | I1260-E1262 HydrophobicContact CG2-CB 4.28Å; I1260-E1262 HydrophobicContact CG2-CG 4.11Å | ||
| 1261 | P | 33.8 | Very low | 31.8 | Very low | 110.2 Ų | 110.2 | 138.2 Ų | 138.2 | 72% | 0.716 | 76% | 0.755 | S | S | * | * | trans | -128.3 | 154.8 | 131.8 | 28.8 | -10.5 | 0 | 0 | 0 | 115.1 | ||||
| 1262 | E | 30.3 | Very low | 31.7 | Very low | 172.8 Ų | 172.8 | 137 Ų | 137 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | trans | 8.5 | 136.7 | 153.1 | -63.6 | 169.1 | 139.6 | 0 | 0 | 116.9 | I1260 | I1260-E1262 HydrophobicContact CG2-CB 4.28Å; I1260-E1262 HydrophobicContact CG2-CG 4.11Å | ||
| 1263 | S | 27.9 | Very low | 31.8 | Very low | 100.6 Ų | 100.6 | 137.1 Ų | 137.1 | 70% | 0.703 | 75% | 0.752 | S | S | * | * | 113.5 | 156.2 | 95.3 | 71.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1264 | I | 30.5 | Very low | 31.7 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 81% | 0.805 | 74% | 0.743 | S | S | * | * | trans | 88.2 | 106.8 | 160.8 | -65.7 | 160 | 0 | 0 | 0 | 115.1 | ||||
| 1265 | S | 29.1 | Very low | 31.9 | Very low | 100.8 Ų | 100.8 | 134.6 Ų | 134.6 | 71% | 0.705 | 75% | 0.747 | S | S | * | * | 96.8 | 143.3 | 125.9 | 66.4 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 1266 | F | 33.5 | Very low | 32 | Very low | 182.2 Ų | 182.2 | 132.8 Ų | 132.8 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | trans | -46.9 | 161.9 | 152.7 | -67.4 | -80.7 | 0 | 0 | 0 | 112.6 | D1268 | F1266-D1268 HydrophobicContact CB-CB 3.7Å; F1266-D1268 WeakPolarHBondContact CB-OD2 3.42Å; F1266-D1268 HydrophobicContact CD1-CB 4.44Å; F1266-D1268 WeakPolarHBondContact CD1-OD1 3.23Å; F1266-D1268 WeakPolarHBondContact CD2-OD2 3.41Å; F1266-D1268 HydrophobicContact CG-CB 4.08Å; F1266-D1268 VanDerWaalsContact CG-OD2 3.23Å; F1266-D1268 WeakPolarHBondContact CG-OD2 3.36Å | ||
| 1267 | P | 38.5 | Very low | 32.1 | Very low | 113.8 Ų | 113.8 | 130.6 Ų | 130.6 | 74% | 0.739 | 75% | 0.749 | S | S | * | * | -123.8 | 165 | 62.9 | 34.9 | -25.2 | 0 | 0 | 0 | 114.3 | |||||
| 1268 | D | 30.4 | Very low | 32.2 | Very low | 131.8 Ų | 131.8 | 128.9 Ų | 128.9 | 71% | 0.705 | 75% | 0.752 | S | S | * | * | trans | 9.5 | 155.9 | 142.4 | -60.7 | -39.8 | 0 | 0 | 0 | 117.9 | F1266 | F1266-D1268 HydrophobicContact CB-CB 3.7Å; F1266-D1268 WeakPolarHBondContact CB-OD2 3.42Å; F1266-D1268 HydrophobicContact CD1-CB 4.44Å; F1266-D1268 WeakPolarHBondContact CD1-OD1 3.23Å; F1266-D1268 WeakPolarHBondContact CD2-OD2 3.41Å; F1266-D1268 HydrophobicContact CG-CB 4.08Å; F1266-D1268 VanDerWaalsContact CG-OD2 3.23Å; F1266-D1268 WeakPolarHBondContact CG-OD2 3.36Å | ||
| 1269 | D | 31.5 | Very low | 32.3 | Very low | 142.6 Ų | 142.6 | 128.4 Ų | 128.4 | 76% | 0.763 | 76% | 0.756 | S | S | * | * | trans | 85.1 | 127.2 | 137.6 | -97.7 | -17.8 | 0 | 0 | 0 | 119.6 | ||||
| 1270 | T | 31.9 | Very low | 32.1 | Very low | 118.8 Ų | 118.8 | 128.4 Ų | 128.4 | 73% | 0.729 | 76% | 0.755 | S | S | * | * | trans | 106.8 | 116.1 | 130.1 | 16.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1271 | T | 30.2 | Very low | 31.9 | Very low | 114.4 Ų | 114.4 | 128.5 Ų | 128.5 | 70% | 0.702 | 76% | 0.757 | S | S | * | * | 50.8 | 149.7 | 128.5 | 51.3 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 1272 | I | 31.3 | Very low | 31.8 | Very low | 143.6 Ų | 143.6 | 132.4 Ų | 132.4 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | 116.8 | 123.4 | 124.9 | -76.3 | 162.3 | 0 | 0 | 0 | 115.4 | |||||
| 1273 | I | 32.8 | Very low | 31.9 | Very low | 152.2 Ų | 152.2 | 129.6 Ų | 129.6 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | 95.6 | 127.3 | 127 | -68.9 | -178.7 | 0 | 0 | 0 | 115.6 | |||||
| 1274 | A | 30.4 | Very low | 32 | Very low | 80.2 Ų | 80.2 | 134.7 Ų | 134.7 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | -78.7 | 147.4 | 129.8 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 1275 | N | 33.6 | Very low | 32 | Very low | 151.2 Ų | 151.2 | 134 Ų | 134 | 81% | 0.809 | 76% | 0.756 | S | S | * | * | -172.6 | 134.6 | 125.4 | -84.8 | -37.6 | 0 | 0 | 0 | 113.8 | |||||
| 1276 | S | 34 | Very low | 32.1 | Very low | 117.2 Ų | 117.2 | 136.8 Ų | 136.8 | 82% | 0.82 | 76% | 0.758 | S | S | * | * | 82.6 | 140.3 | 111.8 | 59.4 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1277 | G | 34.4 | Very low | 32 | Very low | 71 Ų | 71 | 134.9 Ų | 134.9 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | trans | 156.3 | 56.5 | 159.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1278 | S | 32.3 | Very low | 31.6 | Very low | 116.2 Ų | 116.2 | 139.8 Ų | 139.8 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | trans | 17.4 | 151.6 | 141.6 | -54 | 0 | 0 | 0 | 0 | 116.1 | L1280 | S1278-L1280 PolarHBondContact O-N 3.47Š| ||
| 1279 | P | 34.8 | Very low | 31.6 | Very low | 119.8 Ų | 119.8 | 140.7 Ų | 140.7 | 78% | 0.778 | 76% | 0.758 | S | S | * | * | cis | -123.6 | 170.3 | 13.8 | 37.1 | -22.3 | 0 | 0 | 0 | 114 | ||||
| 1280 | L | 28 | Very low | 31.7 | Very low | 148.8 Ų | 148.8 | 140.1 Ų | 140.1 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | -81.2 | 128 | 117.9 | -127.7 | 93.9 | 0 | 0 | 0 | 115.3 | S1278 | S1278-L1280 PolarHBondContact O-N 3.47Š| |||
| 1281 | L | 31.2 | Very low | 31.6 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | trans | 75.5 | 131.8 | 142.5 | -79.9 | 162 | 0 | 0 | 0 | 117.2 | P1283 | L1281-P1283 WeakPolarHBondContact O-CD 3.43Å; L1281-P1283 VanDerWaalsContact O-N 3.16Å | ||
| 1282 | K | 31.6 | Very low | 31.6 | Very low | 191.6 Ų | 191.6 | 143 Ų | 143 | 83% | 0.833 | 76% | 0.761 | S | S | * | * | trans | -80.7 | 153 | 158.8 | -66.4 | -179.9 | 178.4 | 178.4 | 0 | 110.9 | ||||
| 1283 | P | 32.9 | Very low | 31.6 | Very low | 113.2 Ų | 113.2 | 141.9 Ų | 141.9 | 74% | 0.735 | 76% | 0.76 | S | S | * | * | -131.3 | 173.1 | 94.2 | 30.9 | -14.5 | 0 | 0 | 0 | 115.1 | L1281 | L1281-P1283 WeakPolarHBondContact O-CD 3.43Å; L1281-P1283 VanDerWaalsContact O-N 3.16Å | |||
| 1284 | R | 29.6 | Very low | 31.5 | Very low | 207.6 Ų | 207.6 | 140.9 Ų | 140.9 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | 60.1 | 132.7 | 154.2 | -78 | -173.3 | 107.8 | 138.1 | 7.2 | 117.1 | ||||
| 1285 | E | 30.9 | Very low | 31.5 | Very low | 142.8 Ų | 142.8 | 147.5 Ų | 147.5 | 67% | 0.667 | 77% | 0.769 | S | S | * | * | 46.1 | 119.2 | 124.4 | -94.2 | 134.4 | -153.3 | 0 | 0 | 118.6 | |||||
| 1286 | Q | 30.5 | Very low | 31.3 | Very low | 160.2 Ų | 160.2 | 143.9 Ų | 143.9 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | trans | 164.7 | 120.6 | 149.6 | -87 | 172.8 | 23 | 0 | 0 | 114.4 | Q1289 | Q1286-Q1289 HydrophobicContact CB-CG 4.42Å; Q1286-Q1289 HydrophobicContact CG-CG 4.32Å | ||
| 1287 | I | 32.1 | Very low | 31.1 | Very low | 142.4 Ų | 142.4 | 145.6 Ų | 145.6 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | trans | 79 | 107.7 | 130.1 | -66.9 | 163.8 | 0 | 0 | 0 | 113.7 | ||||
| 1288 | R | 30 | Very low | 30.9 | Very low | 215.2 Ų | 215.2 | 146.9 Ų | 146.9 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | 54.9 | 130.9 | 78.9 | -85.6 | 176.7 | -177.9 | 162.3 | 2 | 116.4 | T1290 D1373 | R1288-T1290 PolarHBondContact O-N 3.01Å; R1288-D1373 WeakPolarHBondContact CG-OD2 3.3Å; R1288-D1373 IonicContact CZ-OD2 3.2Å; R1288-D1373 IonicContact NE-OD2 2.65Å; R1288-D1373 PolarHBondContact NE-OD2 3.34Å; R1288-D1373 IonicContact NH2-OD2 2.86Å; R1288-D1373 PolarHBondContact NH2-OD2 2.9Å | |||
| 1289 | Q | 30.4 | Very low | 30.8 | Very low | 151 Ų | 151 | 149 Ų | 149 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | 85.7 | 128.5 | 168.9 | -73.1 | 172.1 | -45.5 | 0 | 0 | 112.5 | Q1286 | Q1286-Q1289 HydrophobicContact CB-CG 4.42Å; Q1286-Q1289 HydrophobicContact CG-CG 4.32Å | ||
| 1290 | T | 32.1 | Very low | 30.5 | Very low | 130.2 Ų | 130.2 | 150.2 Ų | 150.2 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | trans | 169.5 | 115.7 | 144.5 | -40.2 | 0 | 0 | 0 | 0 | 110.9 | R1288 | R1288-T1290 PolarHBondContact O-N 3.01Š| ||
| 1291 | L | 31.4 | Very low | 30.5 | Very low | 127 Ų | 127 | 152.8 Ų | 152.8 | 67% | 0.665 | 75% | 0.751 | S | S | * | * | 64.3 | 111 | 127.5 | -68.9 | 163.5 | 0 | 0 | 0 | 115.3 | L1370 C1371 D1372 | L1291-L1370 HydrophobicContact CD1-CD2 3.85Å; L1291-C1371 HydrophobicContact CD1-CB 3.56Å; L1291-C1371 HydrophobicContact CD2-CB 4.09Å; L1291-C1371 HydrophobicContact CG-CB 4.47Å; L1291-D1372 HydrophobicContact CD1-CB 4.35Å; L1291-D1372 WeakPolarHBondContact CD1-OD2 3.41Å; L1291-D1372 WeakPolarHBondContact CG-OD2 3.5Å | |||
| 1292 | E | 29.7 | Very low | 30.3 | Very low | 166.6 Ų | 166.6 | 153.2 Ų | 153.2 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | 115.9 | 128.9 | 124.1 | -87.8 | -173 | 144.3 | 0 | 0 | 115.6 | R1295 | E1292-R1295 IonicContact OE1-CZ 3.08Å; E1292-R1295 IonicContact OE1-NH2 2.65Å; E1292-R1295 PolarHBondContact OE1-NH2 2.92Å; E1292-R1295 IonicContact OE2-NH2 2.6Å | |||
| 1293 | V | 30.2 | Very low | 30.2 | Very low | 120.8 Ų | 120.8 | 152.2 Ų | 152.2 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | trans | 101.6 | 92.7 | 167.1 | -155.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1294 | V | 32.2 | Very low | 30 | Very low | 131.6 Ų | 131.6 | 155 Ų | 155 | 80% | 0.798 | 75% | 0.75 | S | S | * | * | -118.6 | 108 | 98.1 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | N1297 | V1294-N1297 HydrophobicContact CG1-CB 4.36Š| |||
| 1295 | R | 29.6 | Very low | 30 | Very low | 218.8 Ų | 218.8 | 151.8 Ų | 151.8 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | -154.1 | 98.2 | 114.9 | -171.9 | -175 | -86.2 | -178.4 | 0.2 | 111.4 | E1292 | E1292-R1295 IonicContact OE1-CZ 3.08Å; E1292-R1295 IonicContact OE1-NH2 2.65Å; E1292-R1295 PolarHBondContact OE1-NH2 2.92Å; E1292-R1295 IonicContact OE2-NH2 2.6Å | |||
| 1296 | A | 29.5 | Very low | 29.9 | Very low | 75.4 Ų | 75.4 | 152.4 Ų | 152.4 | 62% | 0.623 | 76% | 0.756 | S | S | * | * | trans | 101.8 | 138.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1297 | N | 29.9 | Very low | 29.9 | Very low | 153.4 Ų | 153.4 | 150.3 Ų | 150.3 | 82% | 0.82 | 76% | 0.756 | S | S | * | * | trans | 105.1 | 101 | 154.4 | -69.9 | -11.1 | 0 | 0 | 0 | 112.6 | V1294 | V1294-N1297 HydrophobicContact CG1-CB 4.36Š| ||
| 1298 | S | 29.8 | Very low | 29.9 | Very low | 98.2 Ų | 98.2 | 149.7 Ų | 149.7 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | cis | -164.7 | 114.3 | 48.2 | 59.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1299 | H | 30.1 | Very low | 29.8 | Very low | 159.4 Ų | 159.4 | 147.6 Ų | 147.6 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | 39.6 | 134.9 | 151.5 | -70 | -97.2 | 0 | 0 | 0 | 111.4 | ||||
| 1300 | E | 28.7 | Very low | 29.9 | Very low | 146.8 Ų | 146.8 | 148 Ų | 148 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | cis | 154.4 | 130.9 | 39.4 | -144.9 | 167 | -164.9 | 0 | 0 | 109.8 | ||||
| 1301 | Y | 27.8 | Very low | 29.8 | Very low | 203.2 Ų | 203.2 | 149 Ų | 149 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | trans | 166.2 | 135.7 | 143.5 | -106.3 | -89.7 | 0 | 0 | 0 | 111.9 | ||||
| 1302 | Q | 28 | Very low | 29.6 | Very low | 162.4 Ų | 162.4 | 153.3 Ų | 153.3 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | -46.3 | 144.3 | 139.5 | -82.4 | 166.9 | -11.4 | 0 | 0 | 111.5 | ||||
| 1303 | Q | 29.2 | Very low | 29.6 | Very low | 170.2 Ų | 170.2 | 152.4 Ų | 152.4 | 80% | 0.795 | 76% | 0.758 | S | S | * | * | trans | -137.5 | 147.1 | 163.8 | -108.9 | 166.5 | -21.1 | 0 | 0 | 109.8 | ||||
| 1304 | E | 28.4 | Very low | 29.6 | Very low | 171.6 Ų | 171.6 | 157.4 Ų | 157.4 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | -119.5 | 168.5 | 138.2 | -85 | 169.3 | 150.8 | 0 | 0 | 110.8 | ||||
| 1305 | N | 28.4 | Very low | 29.5 | Very low | 140 Ų | 140 | 158.5 Ų | 158.5 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | trans | -117.4 | 140.7 | 164.5 | -73.4 | -67.3 | 0 | 0 | 0 | 112.8 | ||||
| 1306 | L | 29.7 | Very low | 29.5 | Very low | 156.6 Ų | 156.6 | 155.4 Ų | 155.4 | 82% | 0.82 | 76% | 0.759 | S | S | * | * | trans | 156 | 132.4 | 145.7 | -92.4 | 114.6 | 0 | 0 | 0 | 113.8 | V1308 | L1306-V1308 HydrophobicContact CB-CG2 3.91Å; L1306-V1308 PolarHBondContact O-N 3.24Å | ||
| 1307 | P | 31.5 | Very low | 29.6 | Very low | 115.4 Ų | 115.4 | 159.6 Ų | 159.6 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | -98.8 | 129.7 | 176.7 | 35.6 | -28.1 | 0 | 0 | 0 | 112.5 | Q1309 | P1307-Q1309 PolarHBondContact O-N 3.07Š| ||
| 1308 | V | 31.2 | Very low | 29.6 | Very low | 130.6 Ų | 130.6 | 159.7 Ų | 159.7 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | trans | -110.1 | 122.3 | 169.8 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | L1306 Q1310 | L1306-V1308 HydrophobicContact CB-CG2 3.91Å; L1306-V1308 PolarHBondContact O-N 3.24Å; V1308-Q1310 HydrophobicContact CG1-CG 4.41Å; V1308-Q1310 PolarHBondContact O-N 3.25Å | ||
| 1309 | Q | 28.8 | Very low | 29.7 | Very low | 170 Ų | 170 | 160.8 Ų | 160.8 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | -52.9 | 125.8 | 159.5 | -69.6 | 173.5 | -43.4 | 0 | 0 | 112.7 | P1307 Q1311 | P1307-Q1309 PolarHBondContact O-N 3.07Å; Q1309-Q1311 VanDerWaalsContact C-N 3.27Å; Q1309-Q1311 HydrophobicContact CB-CB 4.43Å; Q1309-Q1311 PolarHBondContact O-N 3Å | ||
| 1310 | Q | 31.4 | Very low | 29.7 | Very low | 158.8 Ų | 158.8 | 161.6 Ų | 161.6 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | -138.5 | 110.7 | 144.1 | -85.2 | -178 | 10.4 | 0 | 0 | 110.3 | V1308 R1312 | V1308-Q1310 HydrophobicContact CG1-CG 4.41Å; V1308-Q1310 PolarHBondContact O-N 3.25Å; Q1310-R1312 HydrophobicContact CB-CG 4.42Å; Q1310-R1312 PolarHBondContact O-N 3.26Å | ||
| 1311 | Q | 29.3 | Very low | 29.8 | Very low | 152.8 Ų | 152.8 | 161.6 Ų | 161.6 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | trans | 32.8 | 86.6 | 134.6 | -155.9 | 174.2 | -8.4 | 0 | 0 | 112.4 | Q1309 H1313 | Q1309-Q1311 VanDerWaalsContact C-N 3.27Å; Q1309-Q1311 HydrophobicContact CB-CB 4.43Å; Q1309-Q1311 PolarHBondContact O-N 3Å; Q1311-H1313 VanDerWaalsContact C-N 3.31Å; Q1311-H1313 PolarHBondContact NE2-CD2 3.2Å; Q1311-H1313 VanDerWaalsContact NE2-CD2 3.32Å; Q1311-H1313 PolarHBondContact NE2-NE2 3.07Å; Q1311-H1313 VanDerWaalsContact NE2-NE2 3.15Å; Q1311-H1313 PolarHBondContact O-CD2 3.36Å; Q1311-H1313 VanDerWaalsContact O-CD2 3.3Å; Q1311-H1313 PolarHBondContact O-N 3.34Å | ||
| 1312 | R | 28.7 | Very low | 30.2 | Very low | 216 Ų | 216 | 157.4 Ų | 157.4 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | trans | -80.2 | 112.4 | 147.9 | -75.8 | -168.4 | 177.1 | -169.6 | 0.2 | 109.4 | Q1310 W1314 | Q1310-R1312 HydrophobicContact CB-CG 4.42Å; Q1310-R1312 PolarHBondContact O-N 3.26Å; R1312-W1314 VanDerWaalsContact C-N 3.31Å; R1312-W1314 PolarHBondContact O-N 3.1Å | ||
| 1313 | H | 29.1 | Very low | 30.5 | Very low | 147.6 Ų | 147.6 | 155.6 Ų | 155.6 | 68% | 0.683 | 77% | 0.769 | S | S | * | * | trans | -45.4 | 116.4 | 164.4 | -85.9 | -120.5 | 0 | 0 | 0 | 113.1 | Q1311 L1315 | Q1311-H1313 VanDerWaalsContact C-N 3.31Å; Q1311-H1313 PolarHBondContact NE2-CD2 3.2Å; Q1311-H1313 VanDerWaalsContact NE2-CD2 3.32Å; Q1311-H1313 PolarHBondContact NE2-NE2 3.07Å; Q1311-H1313 VanDerWaalsContact NE2-NE2 3.15Å; Q1311-H1313 PolarHBondContact O-CD2 3.36Å; Q1311-H1313 VanDerWaalsContact O-CD2 3.3Å; Q1311-H1313 PolarHBondContact O-N 3.34Å; H1313-L1315 VanDerWaalsContact C-N 3.27Å; H1313-L1315 PolarHBondContact O-N 2.73Å | ||
| 1314 | W | 29.7 | Very low | 30.9 | Very low | 227.4 Ų | 227.4 | 153.2 Ų | 153.2 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | trans | -102.3 | 120.8 | 145.3 | -89.5 | 80.4 | 0 | 0 | 0 | 108.5 | R1312 H1316 | R1312-W1314 VanDerWaalsContact C-N 3.31Å; R1312-W1314 PolarHBondContact O-N 3.1Å; W1314-H1316 VanDerWaalsContact C-N 3.3Å; W1314-H1316 PolarHBondContact O-N 3.36Å | ||
| 1315 | L | 30.7 | Very low | 31.3 | Very low | 154.2 Ų | 154.2 | 150.2 Ų | 150.2 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | trans | -105 | 98.1 | 176.5 | -121.4 | 127.9 | 0 | 0 | 0 | 111.2 | K896 H1313 E1317 | K896-L1315 PolarHBondContact NZ-O 2.9Å; H1313-L1315 VanDerWaalsContact C-N 3.27Å; H1313-L1315 PolarHBondContact O-N 2.73Å; L1315-E1317 PolarHBondContact O-N 2.91Å | ||
| 1316 | H | 29.9 | Very low | 31.9 | Very low | 154 Ų | 154 | 149.5 Ų | 149.5 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | -92.8 | 89.8 | 171.5 | -168.9 | -32.2 | 0 | 0 | 0 | 111.4 | K896 W1314 Q1318 | K896-H1316 VanDerWaalsContact CE-O 3.32Å; K896-H1316 WeakPolarHBondContact CE-O 3.27Å; K896-H1316 PolarHBondContact NZ-O 3.35Å; W1314-H1316 VanDerWaalsContact C-N 3.3Å; W1314-H1316 PolarHBondContact O-N 3.36Å; H1316-Q1318 VanDerWaalsContact O-CB 3.29Å; H1316-Q1318 WeakPolarHBondContact O-CB 3.36Å; H1316-Q1318 VanDerWaalsContact O-CG 3.25Å; H1316-Q1318 WeakPolarHBondContact O-CG 3.33Å; H1316-Q1318 PolarHBondContact O-N 3.32Å | ||
| 1317 | E | 30.9 | Very low | 32.3 | Very low | 162.8 Ų | 162.8 | 148.2 Ų | 148.2 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | trans | -105.7 | 106.8 | 167.3 | -126.9 | 158.6 | -161.1 | 0 | 0 | 109 | K896 L1315 T1319 | K896-E1317 VanDerWaalsContact CE-CD 3.47Å; K896-E1317 WeakPolarHBondContact CE-OE1 3.37Å; K896-E1317 WeakPolarHBondContact CE-OE2 3.36Å; K896-E1317 IonicContact NZ-OE1 3.26Å; K896-E1317 PolarHBondContact NZ-OE1 3.29Å; K896-E1317 IonicContact NZ-OE2 2.7Å; K896-E1317 PolarHBondContact NZ-OE2 3.32Å; L1315-E1317 PolarHBondContact O-N 2.91Å; E1317-T1319 PolarHBondContact O-N 3.26Å | ||
| 1318 | Q | 29.8 | Very low | 33 | Very low | 156.2 Ų | 156.2 | 152.3 Ų | 152.3 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | trans | -98.9 | 90.3 | 162.5 | -82.9 | 176.4 | 8 | 0 | 0 | 111.3 | H1316 Q1320 | H1316-Q1318 VanDerWaalsContact O-CB 3.29Å; H1316-Q1318 WeakPolarHBondContact O-CB 3.36Å; H1316-Q1318 VanDerWaalsContact O-CG 3.25Å; H1316-Q1318 WeakPolarHBondContact O-CG 3.33Å; H1316-Q1318 PolarHBondContact O-N 3.32Å; Q1318-Q1320 PolarHBondContact O-N 3.08Å; Q1318-Q1320 VanDerWaalsContact O-N 3.09Å | ||
| 1319 | T | 31.5 | Very low | 33.5 | Very low | 120.8 Ų | 120.8 | 152.9 Ų | 152.9 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | trans | -103.1 | 102.9 | 162.6 | 44.4 | 0 | 0 | 0 | 0 | 110.6 | E1317 D1321 | E1317-T1319 PolarHBondContact O-N 3.26Å; T1319-D1321 VanDerWaalsContact C-N 3.31Å; T1319-D1321 WeakPolarHBondContact CB-OD2 3.41Å; T1319-D1321 PolarHBondContact O-N 3.02Å; T1319-D1321 PolarHBondContact OG1-OD2 3.18Å | ||
| 1320 | Q | 30.4 | Very low | 34 | Very low | 176.6 Ų | 176.6 | 152.5 Ų | 152.5 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | trans | -101 | 81.9 | 173.2 | -79.7 | -177 | -38.5 | 0 | 0 | 110.1 | Q1318 V1322 | Q1318-Q1320 PolarHBondContact O-N 3.08Å; Q1318-Q1320 VanDerWaalsContact O-N 3.09Å; Q1320-V1322 HydrophobicContact CB-CG2 4.06Å; Q1320-V1322 HydrophobicContact CG-CG2 3.74Å; Q1320-V1322 PolarHBondContact O-N 3.22Å | ||
| 1321 | D | 32 | Very low | 34.3 | Very low | 145.4 Ų | 145.4 | 149.3 Ų | 149.3 | 78% | 0.778 | 75% | 0.75 | S | S | * | * | trans | -91.4 | 85.5 | 166.1 | -80.4 | -30.3 | 0 | 0 | 0 | 110.3 | T1319 T1323 | T1319-D1321 VanDerWaalsContact C-N 3.31Å; T1319-D1321 WeakPolarHBondContact CB-OD2 3.41Å; T1319-D1321 PolarHBondContact O-N 3.02Å; T1319-D1321 PolarHBondContact OG1-OD2 3.18Å; D1321-T1323 VanDerWaalsContact C-N 3.3Å; D1321-T1323 PolarHBondContact O-N 3.05Å; D1321-T1323 VanDerWaalsContact O-N 3.15Å | ||
| 1322 | V | 35.3 | Very low | 34.6 | Very low | 116.4 Ų | 116.4 | 150 Ų | 150 | 71% | 0.705 | 75% | 0.753 | S | S | * | * | trans | -66.8 | 92.9 | 171.6 | -179.1 | 0 | 0 | 0 | 0 | 109.5 | Q1320 T1324 | Q1320-V1322 HydrophobicContact CB-CG2 4.06Å; Q1320-V1322 HydrophobicContact CG-CG2 3.74Å; Q1320-V1322 PolarHBondContact O-N 3.22Å; V1322-T1324 VanDerWaalsContact C-N 3.3Å; V1322-T1324 HydrophobicContact CG1-CG2 4.33Å; V1322-T1324 VanDerWaalsContact CG1-OG1 3.3Å; V1322-T1324 WeakPolarHBondContact CG1-OG1 3.48Å; V1322-T1324 PolarHBondContact O-N 3.17Å | ||
| 1323 | T | 34.6 | Very low | 35 | Very low | 124.2 Ų | 124.2 | 149.9 Ų | 149.9 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | -86.8 | 94.8 | 167.6 | 48.1 | 0 | 0 | 0 | 0 | 112.6 | D1321 D1325 | D1321-T1323 VanDerWaalsContact C-N 3.3Å; D1321-T1323 PolarHBondContact O-N 3.05Å; D1321-T1323 VanDerWaalsContact O-N 3.15Å; T1323-D1325 PolarHBondContact O-N 3.41Å | ||
| 1324 | T | 37.1 | Very low | 35.2 | Very low | 119.2 Ų | 119.2 | 146 Ų | 146 | 73% | 0.731 | 75% | 0.754 | S | S | * | * | trans | -131 | 140.3 | 155.7 | 38 | 0 | 0 | 0 | 0 | 109.5 | V1322 D1326 | V1322-T1324 VanDerWaalsContact C-N 3.3Å; V1322-T1324 HydrophobicContact CG1-CG2 4.33Å; V1322-T1324 VanDerWaalsContact CG1-OG1 3.3Å; V1322-T1324 WeakPolarHBondContact CG1-OG1 3.48Å; V1322-T1324 PolarHBondContact O-N 3.17Å; T1324-D1326 WeakPolarHBondContact CB-OD2 3.45Å; T1324-D1326 PolarHBondContact O-N 3.41Å; T1324-D1326 PolarHBondContact OG1-OD2 2.98Å | ||
| 1325 | D | 36.5 | Very low | 35.2 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 59% | 0.588 | 75% | 0.751 | S | S | * | * | trans | -90.4 | 147.2 | 165.4 | -97.8 | -35.5 | 0 | 0 | 0 | 107.3 | T824 L825 T1323 T1754 S1755 P1756 | T824-D1325 WeakPolarHBondContact CG2-OD2 3.36Å; L825-D1325 VanDerWaalsContact CD1-C 3.48Å; L825-D1325 HydrophobicContact CD1-CB 3.79Å; L825-D1325 WeakPolarHBondContact CD1-OD2 3.41Å; L825-D1325 HydrophobicContact CD2-CB 3.73Å; L825-D1325 WeakPolarHBondContact CD2-O 3.04Å; L825-D1325 HydrophobicContact CG-CB 3.72Å; L825-D1325 WeakPolarHBondContact CG-OD2 3.32Å; T1323-D1325 PolarHBondContact O-N 3.41Å; D1325-T1754 PolarHBondContact OD1-OG1 2.73Å; D1325-S1755 WeakPolarHBondContact OD2-CB 3.33Å; D1325-S1755 PolarHBondContact OD2-OG 2.94Å; D1325-P1756 HydrophobicContact CB-CB 4.3Å | ||
| 1326 | D | 40.9 | Very low | 35.3 | Very low | 124.4 Ų | 124.4 | 143.3 Ų | 143.3 | 67% | 0.665 | 75% | 0.752 | S | S | * | * | trans | -165.2 | 127.7 | 148.3 | -74.1 | -30 | 0 | 0 | 0 | 110.3 | P827 T1324 | P827-D1326 WeakPolarHBondContact CA-OD1 3.37Å; P827-D1326 WeakPolarHBondContact CB-OD1 3.18Å; P827-D1326 WeakPolarHBondContact CG-OD1 3.37Å; T1324-D1326 WeakPolarHBondContact CB-OD2 3.45Å; T1324-D1326 PolarHBondContact O-N 3.41Å; T1324-D1326 PolarHBondContact OG1-OD2 2.98Å | ||
| 1327 | D | 39.2 | Very low | 35.4 | Very low | 129.2 Ų | 129.2 | 144.2 Ų | 144.2 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | trans | 25.6 | 151.7 | 153.2 | -60.1 | -40.5 | 0 | 0 | 0 | 117.8 | ||||
| 1328 | Y | 44.9 | Very low | 35.4 | Very low | 202.2 Ų | 202.2 | 142.8 Ų | 142.8 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | trans | 108 | 121.1 | 167 | -84.4 | -80.2 | 0 | 0 | 0 | 113.8 | F1560 | Y1328-F1560 HydrophobicContact CD2-CD1 4.34Å; Y1328-F1560 AromaticContact CD2-CE1 3.52Å; Y1328-F1560 HydrophobicContact CD2-CE1 3.52Å; Y1328-F1560 HydrophobicContact CD2-CE2 4.26Å; Y1328-F1560 AromaticContact CD2-CZ 3.47Å; Y1328-F1560 HydrophobicContact CD2-CZ 3.47Å; Y1328-F1560 VanDerWaalsContact CD2-CZ 3.47Å; Y1328-F1560 HydrophobicContact CE2-CE1 4.11Å; Y1328-F1560 HydrophobicContact CE2-CE2 4.05Å; Y1328-F1560 AromaticContact CE2-CZ 3.7Å; Y1328-F1560 HydrophobicContact CE2-CZ 3.7Å; Y1328-F1560 HydrophobicContact CG-CD1 4.42Å; Y1328-F1560 AromaticContact CG-CE1 3.89Å; Y1328-F1560 HydrophobicContact CG-CE1 3.89Å; Y1328-F1560 HydrophobicContact CG-CZ 4.3Å | ||
| 1329 | D | 42.7 | Very low | 35.6 | Very low | 143.6 Ų | 143.6 | 140.8 Ų | 140.8 | 77% | 0.768 | 76% | 0.759 | S | S | * | * | -91.6 | 142.3 | 78.9 | -81.1 | -45.4 | 0 | 0 | 0 | 114.5 | |||||
| 1330 | D | 39.7 | Very low | 35.3 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | trans | -45 | 126.7 | 164.5 | -74.8 | -44.2 | 0 | 0 | 0 | 114 | ||||
| 1331 | A | 38.1 | Very low | 35.4 | Very low | 91.6 Ų | 91.6 | 145.2 Ų | 145.2 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | trans | -131.6 | 104.3 | 148.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1332 | E | 35.7 | Very low | 35.2 | Very low | 166.8 Ų | 166.8 | 142 Ų | 142 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | trans | 9 | 137.3 | 140.7 | -146.8 | 176 | -171.9 | 0 | 0 | 115.7 | K1480 | E1332-K1480 IonicContact OE1-NZ 3.93Å; E1332-K1480 PolarHBondContact OE1-NZ 3.42Å | ||
| 1333 | Y | 36 | Very low | 34.9 | Very low | 214.6 Ų | 214.6 | 146 Ų | 146 | 84% | 0.842 | 75% | 0.754 | S | S | * | * | trans | -167.7 | 125.2 | 158.4 | -116.6 | -92.6 | 0 | 0 | 0 | 113.5 | ||||
| 1334 | G | 33.5 | Very low | 34.7 | Very low | 65 Ų | 65 | 146.9 Ų | 146.9 | 67% | 0.67 | 75% | 0.749 | S | S | * | * | trans | -124.1 | 133.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1335 | N | 29.9 | Very low | 34.3 | Very low | 151.8 Ų | 151.8 | 147.7 Ų | 147.7 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | trans | -54.5 | 129.9 | 161.4 | -74.9 | -40.7 | 0 | 0 | 0 | 112.3 | Q1337 | N1335-Q1337 PolarHBondContact O-N 3.4Š| ||
| 1336 | E | 32.3 | Very low | 33.9 | Very low | 173.2 Ų | 173.2 | 152.8 Ų | 152.8 | 81% | 0.809 | 76% | 0.756 | S | S | * | * | trans | -137.9 | 123 | 137.4 | -89.2 | -169.8 | -178.2 | 0 | 0 | 113 | ||||
| 1337 | Q | 31.9 | Very low | 33.5 | Very low | 173.2 Ų | 173.2 | 154.6 Ų | 154.6 | 81% | 0.809 | 76% | 0.758 | S | S | * | * | trans | -104.8 | 128.4 | 167.7 | -61.9 | 167.5 | -10 | 0 | 0 | 113.9 | N1335 | N1335-Q1337 PolarHBondContact O-N 3.4Š| ||
| 1338 | T | 31.1 | Very low | 33.1 | Very low | 132.6 Ų | 132.6 | 154.3 Ų | 154.3 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | trans | -97.8 | 152.9 | 146.7 | 49.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 1339 | P | 33.5 | Very low | 32.4 | Very low | 115 Ų | 115 | 154 Ų | 154 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | -129.1 | 157.6 | 107.8 | 33.1 | -16.3 | 0 | 0 | 0 | 116.4 | |||||
| 1340 | Y | 27.1 | Very low | 31.9 | Very low | 205.8 Ų | 205.8 | 155.2 Ų | 155.2 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | trans | 53.6 | 138.5 | 149.9 | -123.3 | -89.5 | 0 | 0 | 0 | 117.8 | ||||
| 1341 | K | 31.8 | Very low | 31.6 | Very low | 184.6 Ų | 184.6 | 157.4 Ų | 157.4 | 80% | 0.803 | 76% | 0.758 | S | S | * | * | trans | 158.8 | 136.5 | 138.9 | -106.2 | 168.3 | -173.4 | 170.7 | 0 | 115.5 | ||||
| 1342 | S | 27.8 | Very low | 31.3 | Very low | 77.2 Ų | 77.2 | 159.3 Ų | 159.3 | 54% | 0.54 | 76% | 0.755 | S | S | . | * | trans | -67.7 | 159 | 154.7 | 102.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1343 | Y | 29.3 | Very low | 31.2 | Very low | 201.8 Ų | 201.8 | 154.3 Ų | 154.3 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | 154.2 | 135.4 | 123.3 | -91.6 | -68.5 | 0 | 0 | 0 | 115.6 | |||||
| 1344 | H | 30.2 | Very low | 31 | Very low | 142 Ų | 142 | 150.7 Ų | 150.7 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | trans | 44 | 132.2 | 140.4 | -73.6 | -69.1 | 0 | 0 | 0 | 118 | ||||
| 1345 | Q | 29 | Very low | 30.8 | Very low | 137 Ų | 137 | 158 Ų | 158 | 64% | 0.64 | 75% | 0.753 | S | S | * | * | 103.8 | 119.5 | 93 | -136.9 | 168.1 | 37.3 | 0 | 0 | 114.7 | K1347 | Q1345-K1347 VanDerWaalsContact OE1-NZ 3.17Š| |||
| 1346 | R | 28.3 | Very low | 30.8 | Very low | 217 Ų | 217 | 161.2 Ų | 161.2 | 82% | 0.819 | 75% | 0.753 | S | S | * | * | trans | -154 | 138.3 | 149.9 | -91.9 | 171.6 | -165.9 | -172 | 3.9 | 110.2 | ||||
| 1347 | K | 30.8 | Very low | 30.7 | Very low | 162.4 Ų | 162.4 | 157.6 Ų | 157.6 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | -126.6 | 134.8 | 130.9 | -80.1 | -167.7 | 162.3 | -136.5 | 0 | 113.2 | Q1345 | Q1345-K1347 VanDerWaalsContact OE1-NZ 3.17Š| ||
| 1348 | D | 31.3 | Very low | 30.6 | Very low | 121 Ų | 121 | 153.6 Ų | 153.6 | 65% | 0.647 | 74% | 0.744 | S | S | * | * | 83.4 | 132.9 | 111.5 | -54 | -27.9 | 0 | 0 | 0 | 112.9 | K1523 | D1348-K1523 IonicContact OD2-NZ 3.23Å; D1348-K1523 PolarHBondContact OD2-NZ 3.35Å | |||
| 1349 | F | 31.3 | Very low | 30.5 | Very low | 196.4 Ų | 196.4 | 154.4 Ų | 154.4 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | trans | -148.3 | 144.9 | 146 | -103.3 | -77.4 | 0 | 0 | 0 | 111.6 | ||||
| 1350 | E | 31.5 | Very low | 30.4 | Very low | 168.2 Ų | 168.2 | 155.2 Ų | 155.2 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | trans | -89.1 | 146.5 | 157.2 | -74.7 | 166.7 | 140.9 | 0 | 0 | 114.4 | ||||
| 1351 | Y | 33.1 | Very low | 30.5 | Very low | 209.2 Ų | 209.2 | 152.6 Ų | 152.6 | 82% | 0.82 | 74% | 0.735 | S | S | * | * | trans | -165.1 | 133.2 | 140.8 | -131.7 | -114.9 | 0 | 0 | 0 | 111.2 | ||||
| 1352 | D | 32.1 | Very low | 30.6 | Very low | 130.8 Ų | 130.8 | 153.9 Ų | 153.9 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | -133.8 | 153.1 | 65.2 | -167.2 | 9 | 0 | 0 | 0 | 109.4 | N1354 | D1352-N1354 PolarHBondContact OD1-ND2 3.05Å; D1352-N1354 PolarHBondContact OD2-ND2 2.92Å | |||
| 1353 | G | 34 | Very low | 30.8 | Very low | 61.6 Ų | 61.6 | 156.6 Ų | 156.6 | 64% | 0.635 | 75% | 0.745 | S | S | * | * | trans | 171.9 | 67 | 179.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1354 | N | 31.1 | Very low | 30.9 | Very low | 139 Ų | 139 | 154.8 Ų | 154.8 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | trans | -40.7 | 124.3 | 173.1 | -88.7 | -63.8 | 0 | 0 | 0 | 116 | D1352 | D1352-N1354 PolarHBondContact OD1-ND2 3.05Å; D1352-N1354 PolarHBondContact OD2-ND2 2.92Å | ||
| 1355 | Y | 30.4 | Very low | 31 | Very low | 218.4 Ų | 218.4 | 154 Ų | 154 | 86% | 0.856 | 74% | 0.744 | S | S | * | * | trans | -145.7 | 139.7 | 142.1 | -125.5 | -95.5 | 0 | 0 | 0 | 113.7 | ||||
| 1356 | R | 29.1 | Very low | 31.3 | Very low | 218 Ų | 218 | 154.6 Ų | 154.6 | 82% | 0.823 | 75% | 0.75 | S | S | * | * | trans | -163.4 | 130.8 | 173.3 | -132.6 | -174.1 | 177.8 | -148.6 | -0.4 | 113 | ||||
| 1357 | S | 29.3 | Very low | 31.4 | Very low | 99 Ų | 99 | 152 Ų | 152 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | 115.2 | 116.4 | 119.8 | -58 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1358 | A | 30.2 | Very low | 31.4 | Very low | 89.6 Ų | 89.6 | 150.3 Ų | 150.3 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | 75 | 133.9 | 117.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 1359 | I | 30.3 | Very low | 31.4 | Very low | 149.2 Ų | 149.2 | 152.1 Ų | 152.1 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | trans | 124.7 | 111.5 | 136 | -72.2 | 161.2 | 0 | 0 | 0 | 111.7 | E1361 | I1359-E1361 HydrophobicContact CG2-CB 4.46Š| ||
| 1360 | N | 31.3 | Very low | 31.4 | Very low | 131.8 Ų | 131.8 | 149.3 Ų | 149.3 | 71% | 0.705 | 74% | 0.741 | S | S | * | * | trans | 69.2 | 130.9 | 133.9 | -66.7 | 30 | 0 | 0 | 0 | 114.7 | ||||
| 1361 | E | 28.5 | Very low | 31.3 | Very low | 149.4 Ų | 149.4 | 145.9 Ų | 145.9 | 70% | 0.698 | 73% | 0.734 | S | S | * | * | cis | 108.2 | 134.3 | 28.2 | -171.1 | 174.3 | -126.1 | 0 | 0 | 109.2 | I1359 | I1359-E1361 HydrophobicContact CG2-CB 4.46Š| ||
| 1362 | Y | 33.7 | Very low | 31.2 | Very low | 212.4 Ų | 212.4 | 141.6 Ų | 141.6 | 83% | 0.833 | 73% | 0.726 | S | S | * | * | trans | 140.9 | 123.2 | 160.7 | -87 | -73.7 | 0 | 0 | 0 | 112.6 | ||||
| 1363 | D | 31.6 | Very low | 31.3 | Very low | 135 Ų | 135 | 141.1 Ų | 141.1 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | trans | -94.4 | 159.1 | 133.9 | -99.9 | -36.9 | 0 | 0 | 0 | 112.8 | ||||
| 1364 | H | 32.8 | Very low | 31.1 | Very low | 163.4 Ų | 163.4 | 144.3 Ų | 144.3 | 76% | 0.756 | 73% | 0.725 | S | S | * | * | trans | -161.3 | 127.8 | 147.4 | -98.1 | -48 | 0 | 0 | 0 | 116.4 | ||||
| 1365 | D | 31.7 | Very low | 31.1 | Very low | 124.6 Ų | 124.6 | 144.4 Ų | 144.4 | 67% | 0.666 | 73% | 0.726 | S | S | * | * | trans | 1.1 | 137.8 | 138.9 | -67.1 | -44.6 | 0 | 0 | 0 | 117.6 | K1367 | D1365-K1367 IonicContact OD2-NZ 2.69Å; D1365-K1367 PolarHBondContact OD2-NZ 2.82Å | ||
| 1366 | I | 33.9 | Very low | 31.1 | Very low | 150.4 Ų | 150.4 | 141 Ų | 141 | 77% | 0.771 | 72% | 0.717 | S | S | * | * | -164.5 | 125.4 | 117 | -96.2 | 160.9 | 0 | 0 | 0 | 108 | |||||
| 1367 | K | 31.5 | Very low | 31.2 | Very low | 163 Ų | 163 | 138.4 Ų | 138.4 | 71% | 0.709 | 71% | 0.714 | S | S | * | * | 47.5 | 131.5 | 105.1 | -71 | 178.1 | -179 | 167.3 | 0 | 115.3 | D1365 | D1365-K1367 IonicContact OD2-NZ 2.69Å; D1365-K1367 PolarHBondContact OD2-NZ 2.82Å | |||
| 1368 | N | 30.3 | Very low | 31.1 | Very low | 126.8 Ų | 126.8 | 142.2 Ų | 142.2 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | 106.8 | 151.5 | 122.9 | -76.7 | 14.7 | 0 | 0 | 0 | 112.4 | |||||
| 1369 | E | 30.9 | Very low | 31.1 | Very low | 158.2 Ų | 158.2 | 142.7 Ų | 142.7 | 74% | 0.739 | 72% | 0.717 | S | S | * | * | 151.7 | 144.7 | 59.4 | -94.2 | 165.1 | -153.2 | 0 | 0 | 111 | |||||
| 1370 | L | 32.1 | Very low | 30.9 | Very low | 138.2 Ų | 138.2 | 140.1 Ų | 140.1 | 72% | 0.724 | 71% | 0.712 | S | S | * | * | 107.9 | 140.4 | 85.7 | -88.2 | 150.6 | 0 | 0 | 0 | 113.4 | L1291 | L1291-L1370 HydrophobicContact CD1-CD2 3.85Š| |||
| 1371 | C | 29.4 | Very low | 30.6 | Very low | 95.4 Ų | 95.4 | 142.2 Ų | 142.2 | 65% | 0.645 | 72% | 0.715 | S | S | * | * | 79.6 | 154.4 | 103.8 | -72.8 | 0 | 0 | 0 | 0 | 115.9 | L1291 | L1291-C1371 HydrophobicContact CD1-CB 3.56Å; L1291-C1371 HydrophobicContact CD2-CB 4.09Å; L1291-C1371 HydrophobicContact CG-CB 4.47Å | |||
| 1372 | D | 31.3 | Very low | 30.5 | Very low | 120.4 Ų | 120.4 | 140 Ų | 140 | 64% | 0.644 | 72% | 0.715 | S | S | * | * | 150.2 | 162.5 | 86.5 | -94.5 | -25.3 | 0 | 0 | 0 | 112.9 | L1291 | L1291-D1372 HydrophobicContact CD1-CB 4.35Å; L1291-D1372 WeakPolarHBondContact CD1-OD2 3.41Å; L1291-D1372 WeakPolarHBondContact CG-OD2 3.5Å | |||
| 1373 | D | 33.7 | Very low | 30.1 | Very low | 120.2 Ų | 120.2 | 135.6 Ų | 135.6 | 64% | 0.643 | 71% | 0.706 | S | S | * | * | 107.2 | 144.8 | 121.3 | -93.9 | -22.6 | 0 | 0 | 0 | 117.3 | R1288 | R1288-D1373 WeakPolarHBondContact CG-OD2 3.3Å; R1288-D1373 IonicContact CZ-OD2 3.2Å; R1288-D1373 IonicContact NE-OD2 2.65Å; R1288-D1373 PolarHBondContact NE-OD2 3.34Å; R1288-D1373 IonicContact NH2-OD2 2.86Å; R1288-D1373 PolarHBondContact NH2-OD2 2.9Å | |||
| 1374 | N | 29.9 | Very low | 29.9 | Very low | 127.2 Ų | 127.2 | 135.1 Ų | 135.1 | 68% | 0.68 | 70% | 0.703 | S | S | * | * | trans | -109.9 | 159.8 | 168.6 | -84.2 | -63.1 | 0 | 0 | 0 | 113.3 | ||||
| 1375 | L | 31.7 | Very low | 29.7 | Very low | 142.6 Ų | 142.6 | 135.1 Ų | 135.1 | 75% | 0.747 | 70% | 0.703 | S | S | * | * | 151.3 | 134.8 | 122.3 | -108.5 | 66.2 | 0 | 0 | 0 | 110.1 | |||||
| 1376 | E | 29.3 | Very low | 29.4 | Very low | 146.4 Ų | 146.4 | 136.9 Ų | 136.9 | 68% | 0.684 | 71% | 0.707 | S | S | * | * | cis | 153.4 | 164.6 | 37.1 | -118.7 | -173.1 | 152.6 | 0 | 0 | 112.2 | ||||
| 1377 | Q | 32.2 | Very low | 29.1 | Very low | 162.2 Ų | 162.2 | 138.6 Ų | 138.6 | 76% | 0.758 | 71% | 0.71 | S | S | * | * | trans | 72.3 | 111.6 | 150.4 | -70.8 | 157.8 | 44.3 | 0 | 0 | 116.2 | ||||
| 1378 | Q | 26 | Very low | 28.9 | Very low | 180.8 Ų | 180.8 | 136.7 Ų | 136.7 | 85% | 0.845 | 71% | 0.707 | S | S | * | * | 14.4 | 164.3 | 90.8 | -74.6 | -163.1 | 6 | 0 | 0 | 113.6 | |||||
| 1379 | P | 30.8 | Very low | 28.9 | Very low | 99.4 Ų | 99.4 | 137.7 Ų | 137.7 | 65% | 0.645 | 71% | 0.708 | S | S | * | * | cis | -134.3 | -174 | -23.2 | 35.1 | -15.7 | 0 | 0 | 0 | 114.2 | ||||
| 1380 | S | 26.8 | Very low | 28.7 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 66% | 0.664 | 70% | 0.702 | S | S | * | * | trans | 53.6 | 154.5 | 152.1 | 70.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 1381 | F | 25.3 | Very low | 28.6 | Very low | 176.2 Ų | 176.2 | 136.6 Ų | 136.6 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | trans | 174.8 | 135.8 | 137.6 | -91.3 | -82.8 | 0 | 0 | 0 | 112.7 | ||||
| 1382 | C | 25.5 | Very low | 28.6 | Very low | 101.2 Ų | 101.2 | 142 Ų | 142 | 68% | 0.684 | 71% | 0.709 | S | S | * | * | trans | 51.3 | 166.7 | 139.3 | -67.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1383 | N | 25.9 | Very low | 28.3 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 65% | 0.652 | 71% | 0.709 | S | S | * | * | cis | -163.8 | 154.1 | 29.9 | -99.2 | -5.1 | 0 | 0 | 0 | 111.8 | H1385 | N1383-H1385 PolarHBondContact O-N 3.05Š| ||
| 1384 | N | 25.9 | Very low | 28.1 | Very low | 122.8 Ų | 122.8 | 146.2 Ų | 146.2 | 66% | 0.657 | 72% | 0.718 | S | S | * | * | trans | 53.7 | 107.6 | 145.9 | -71.3 | -2 | 0 | 0 | 0 | 117.3 | ||||
| 1385 | H | 29.7 | Very low | 28 | Very low | 164.6 Ų | 164.6 | 146.2 Ų | 146.2 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | trans | -163.7 | 127.5 | 137 | -92.6 | -58.5 | 0 | 0 | 0 | 110.3 | N1383 F1387 | N1383-H1385 PolarHBondContact O-N 3.05Å; H1385-F1387 VanDerWaalsContact C-N 3.34Å; H1385-F1387 PolarHBondContact O-N 2.88Å | ||
| 1386 | Q | 25.6 | Very low | 27.9 | Very low | 161.2 Ų | 161.2 | 145.6 Ų | 145.6 | 75% | 0.753 | 72% | 0.715 | S | S | * | * | 63.2 | 95.8 | 73.3 | -171.3 | 168.3 | 8.1 | 0 | 0 | 112.7 | D1388 | Q1386-D1388 HydrophobicContact CG-CB 4.07Å; Q1386-D1388 PolarHBondContact NE2-OD2 3.34Å | |||
| 1387 | F | 28 | Very low | 27.8 | Very low | 187 Ų | 187 | 144.8 Ų | 144.8 | 82% | 0.82 | 72% | 0.716 | S | S | * | * | trans | -150.6 | 120 | 158.1 | -82.8 | -76.9 | 0 | 0 | 0 | 108.4 | H1385 E1389 | H1385-F1387 VanDerWaalsContact C-N 3.34Å; H1385-F1387 PolarHBondContact O-N 2.88Å; F1387-E1389 HydrophobicContact CD1-CB 3.99Å; F1387-E1389 HydrophobicContact CE1-CB 4.35Å; F1387-E1389 PolarHBondContact O-N 2.91Å; F1387-E1389 VanDerWaalsContact O-N 3.14Å | ||
| 1388 | D | 27.1 | Very low | 27.7 | Very low | 123.4 Ų | 123.4 | 144 Ų | 144 | 66% | 0.66 | 72% | 0.715 | S | S | * | * | cis | -163.3 | 136.1 | 39.7 | -155.7 | -6.6 | 0 | 0 | 0 | 111.4 | Q1386 S1390 R1391 | Q1386-D1388 HydrophobicContact CG-CB 4.07Å; Q1386-D1388 PolarHBondContact NE2-OD2 3.34Å; D1388-S1390 PolarHBondContact O-N 3.48Å; D1388-S1390 VanDerWaalsContact OD1-CB 3.3Å; D1388-S1390 WeakPolarHBondContact OD1-CB 3.23Å; D1388-S1390 PolarHBondContact OD1-N 2.77Å; D1388-S1390 PolarHBondContact OD1-OG 2.75Å; D1388-S1390 PolarHBondContact OD2-OG 3.27Å; D1388-R1391 WeakPolarHBondContact O-CB 3.48Å; D1388-R1391 WeakPolarHBondContact O-CG 3.25Å; D1388-R1391 PolarHBondContact O-N 3.48Å | ||
| 1389 | E | 29 | Very low | 27.9 | Very low | 148 Ų | 148 | 142 Ų | 142 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | trans | -55.6 | 101.2 | -176.4 | -82.3 | -166.2 | 138.3 | 0 | 0 | 114.5 | F1387 R1391 Y1392 | F1387-E1389 HydrophobicContact CD1-CB 3.99Å; F1387-E1389 HydrophobicContact CE1-CB 4.35Å; F1387-E1389 PolarHBondContact O-N 2.91Å; F1387-E1389 VanDerWaalsContact O-N 3.14Å; E1389-R1391 PolarHBondContact O-N 3.47Å; E1389-R1391 VanDerWaalsContact O-N 3.15Å; E1389-Y1392 PolarHBondContact O-N 3.34Å | ||
| 1390 | S | 27.4 | Very low | 27.8 | Very low | 87.4 Ų | 87.4 | 143.1 Ų | 143.1 | 61% | 0.611 | 71% | 0.711 | S | S | * | * | trans | 150.4 | 161.5 | 160.7 | 75.6 | 0 | 0 | 0 | 0 | 112.3 | D1388 Y1392 N1393 | D1388-S1390 PolarHBondContact O-N 3.48Å; D1388-S1390 VanDerWaalsContact OD1-CB 3.3Å; D1388-S1390 WeakPolarHBondContact OD1-CB 3.23Å; D1388-S1390 PolarHBondContact OD1-N 2.77Å; D1388-S1390 PolarHBondContact OD1-OG 2.75Å; D1388-S1390 PolarHBondContact OD2-OG 3.27Å; S1390-Y1392 VanDerWaalsContact C-N 3.28Å; S1390-Y1392 PolarHBondContact O-N 2.83Å; S1390-N1393 PolarHBondContact O-N 2.94Å | ||
| 1391 | R | 29.9 | Very low | 27.9 | Very low | 185.6 Ų | 185.6 | 148.5 Ų | 148.5 | 70% | 0.7 | 72% | 0.718 | S | S | * | * | trans | 172.2 | 130.1 | 149.2 | -86.5 | 166 | 176 | 169.4 | -0.5 | 113.5 | D1388 E1389 | D1388-R1391 WeakPolarHBondContact O-CB 3.48Å; D1388-R1391 WeakPolarHBondContact O-CG 3.25Å; D1388-R1391 PolarHBondContact O-N 3.48Å; E1389-R1391 PolarHBondContact O-N 3.47Å; E1389-R1391 VanDerWaalsContact O-N 3.15Å | ||
| 1392 | Y | 29.1 | Very low | 28.2 | Very low | 207.4 Ų | 207.4 | 146.6 Ų | 146.6 | 81% | 0.813 | 72% | 0.717 | S | S | * | * | -141.1 | 128.1 | 110.2 | -76.3 | -66.2 | 0 | 0 | 0 | 112.2 | E1389 S1390 | E1389-Y1392 PolarHBondContact O-N 3.34Å; S1390-Y1392 VanDerWaalsContact C-N 3.28Å; S1390-Y1392 PolarHBondContact O-N 2.83Å | |||
| 1393 | N | 26.4 | Very low | 28.4 | Very low | 120 Ų | 120 | 147.8 Ų | 147.8 | 64% | 0.642 | 72% | 0.72 | S | S | * | * | trans | -121.7 | 127 | 174.6 | -166.7 | 16 | 0 | 0 | 0 | 110.2 | S1390 N1395 | S1390-N1393 PolarHBondContact O-N 2.94Å; N1393-N1395 VanDerWaalsContact C-N 3.3Å; N1393-N1395 PolarHBondContact ND2-ND2 2.79Å; N1393-N1395 PolarHBondContact O-N 3.42Å; N1393-N1395 VanDerWaalsContact O-N 3.16Å | ||
| 1394 | Y | 28.9 | Very low | 28.6 | Very low | 210.4 Ų | 210.4 | 149.6 Ų | 149.6 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | trans | -104.6 | 110 | 166.8 | -125.6 | -91.5 | 0 | 0 | 0 | 108.7 | D1396 | Y1394-D1396 VanDerWaalsContact C-N 3.28Å; Y1394-D1396 PolarHBondContact O-N 2.63Å | ||
| 1395 | N | 26.8 | Very low | 28.8 | Very low | 125.8 Ų | 125.8 | 147.2 Ų | 147.2 | 67% | 0.673 | 73% | 0.734 | S | S | * | * | trans | -97.1 | 127.5 | 147.4 | -97.6 | -7.2 | 0 | 0 | 0 | 111.3 | N1393 N1397 | N1393-N1395 VanDerWaalsContact C-N 3.3Å; N1393-N1395 PolarHBondContact ND2-ND2 2.79Å; N1393-N1395 PolarHBondContact O-N 3.42Å; N1393-N1395 VanDerWaalsContact O-N 3.16Å; N1395-N1397 HydrophobicContact CB-CB 4.29Å; N1395-N1397 PolarHBondContact O-N 3.19Å | ||
| 1396 | D | 29.6 | Very low | 28.8 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | trans | -70.3 | 122.9 | 156.8 | -72.6 | -42.6 | 0 | 0 | 0 | 113.2 | Y1394 L1398 | Y1394-D1396 VanDerWaalsContact C-N 3.28Å; Y1394-D1396 PolarHBondContact O-N 2.63Å; D1396-L1398 PolarHBondContact O-N 3.06Å | ||
| 1397 | N | 27.9 | Very low | 29.1 | Very low | 130.4 Ų | 130.4 | 146.8 Ų | 146.8 | 70% | 0.697 | 74% | 0.741 | S | S | * | * | trans | 124.7 | 107.2 | 131.3 | -110.1 | -37.1 | 0 | 0 | 0 | 116.6 | N1395 N1399 N1400 | N1395-N1397 HydrophobicContact CB-CB 4.29Å; N1395-N1397 PolarHBondContact O-N 3.19Å; N1397-N1399 PolarHBondContact O-N 2.86Å; N1397-N1400 PolarHBondContact O-N 3.27Å; N1397-N1400 VanDerWaalsContact O-N 3.08Å | ||
| 1398 | L | 30.5 | Very low | 29.3 | Very low | 143.6 Ų | 143.6 | 143 Ų | 143 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | trans | 49.7 | 97.8 | 160.1 | -93.6 | 78.8 | 0 | 0 | 0 | 116.4 | D1396 | D1396-L1398 PolarHBondContact O-N 3.06Š| ||
| 1399 | N | 29.2 | Very low | 29.8 | Very low | 140.6 Ų | 140.6 | 142.4 Ų | 142.4 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | 35.7 | 130.5 | 129.1 | -68.1 | -24.4 | 0 | 0 | 0 | 114.9 | N1397 | N1397-N1399 PolarHBondContact O-N 2.86Š| |||
| 1400 | N | 29.2 | Very low | 30.4 | Very low | 122.4 Ų | 122.4 | 142.8 Ų | 142.8 | 66% | 0.655 | 75% | 0.748 | S | S | * | * | trans | 138.7 | 115.6 | 136.3 | -114.1 | 17 | 0 | 0 | 0 | 116.3 | N1397 | N1397-N1400 PolarHBondContact O-N 3.27Å; N1397-N1400 VanDerWaalsContact O-N 3.08Å | ||
| 1401 | Y | 30 | Very low | 31.1 | Very low | 207.2 Ų | 207.2 | 146.4 Ų | 146.4 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | -150.1 | 119.2 | 154.8 | -69.6 | -69.6 | 0 | 0 | 0 | 114.2 | V1403 | Y1401-V1403 PolarHBondContact O-N 3.19Š| ||
| 1402 | D | 30.3 | Very low | 32 | Very low | 137.4 Ų | 137.4 | 141.4 Ų | 141.4 | 74% | 0.735 | 75% | 0.75 | S | S | * | * | trans | -135.5 | 130.2 | 132.2 | -77.3 | -37.4 | 0 | 0 | 0 | 114.2 | ||||
| 1403 | V | 31.2 | Very low | 33.8 | Very low | 125.4 Ų | 125.4 | 135.1 Ų | 135.1 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | trans | 89 | 124.2 | 139.9 | -179.7 | 0 | 0 | 0 | 0 | 115.7 | Y1401 G1405 | Y1401-V1403 PolarHBondContact O-N 3.19Å; V1403-G1405 PolarHBondContact O-N 3.49Å | ||
| 1404 | D | 29.3 | Very low | 35.7 | Very low | 159.2 Ų | 159.2 | 134.1 Ų | 134.1 | 85% | 0.851 | 73% | 0.731 | S | S | * | * | trans | 16.3 | 121 | 166.6 | -61.1 | -41.8 | 0 | 0 | 0 | 119.1 | ||||
| 1405 | G | 29.8 | Very low | 37.3 | Very low | 72.4 Ų | 72.4 | 128.6 Ų | 128.6 | 75% | 0.746 | 72% | 0.716 | S | S | * | * | trans | 147.2 | 106.3 | 150.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | V1403 | V1403-G1405 PolarHBondContact O-N 3.49Š| ||
| 1406 | I | 30.9 | Very low | 39 | Very low | 163.2 Ų | 163.2 | 125.8 Ų | 125.8 | 84% | 0.837 | 70% | 0.703 | S | S | * | * | trans | -139.3 | 141.6 | 154.1 | -71.1 | 163 | 0 | 0 | 0 | 110.9 | ||||
| 1407 | N | 30.8 | Very low | 40.6 | Very low | 154.8 Ų | 154.8 | 122.7 Ų | 122.7 | 83% | 0.828 | 69% | 0.687 | S | S | * | * | trans | -115.9 | 138.4 | 169.8 | -61.4 | -71 | 0 | 0 | 0 | 113.1 | ||||
| 1408 | S | 32.6 | Very low | 42.5 | Very low | 107.4 Ų | 107.4 | 123.9 Ų | 123.9 | 75% | 0.751 | 68% | 0.681 | S | S | * | * | trans | -160.1 | 142.1 | 146.5 | -140.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1409 | P | 37.2 | Very low | 44 | Very low | 111.8 Ų | 111.8 | 119.7 Ų | 119.7 | 73% | 0.726 | 67% | 0.667 | S | S | * | * | trans | -110.6 | 109.3 | -158.2 | 37.6 | -29.6 | 0 | 0 | 0 | 114 | L1411 | P1409-L1411 PolarHBondContact O-N 3.43Š| ||
| 1410 | D | 40.8 | Very low | 45.6 | Very low | 156.4 Ų | 156.4 | 116.4 Ų | 116.4 | 84% | 0.836 | 65% | 0.649 | S | S | * | * | trans | -121.8 | 99.4 | 164.6 | -83.5 | -51 | 0 | 0 | 0 | 111.4 | ||||
| 1411 | L | 42.2 | Very low | 47.3 | Very low | 162.4 Ų | 162.4 | 118.7 Ų | 118.7 | 85% | 0.85 | 65% | 0.649 | S | S | * | * | trans | -117.4 | 130.6 | 167.3 | -93.4 | 116.4 | 0 | 0 | 0 | 109.2 | P1409 D1413 | P1409-L1411 PolarHBondContact O-N 3.43Å; L1411-D1413 PolarHBondContact O-N 3.4Å | ||
| 1412 | P | 49.8 | Very low | 49.1 | Very low | 79.2 Ų | 79.2 | 115 Ų | 115 | 51% | 0.514 | 64% | 0.637 | S | S | . | * | trans | -67.7 | 138.6 | 175.9 | 20.6 | -23.2 | 0 | 0 | 0 | 110.8 | T1416 L1417 | P1412-T1416 HydrophobicContact CB-CG2 4.34Å; P1412-L1417 HydrophobicContact CB-CD1 4.11Å; P1412-L1417 HydrophobicContact CB-CG 4.31Å; P1412-L1417 HydrophobicContact CG-CD1 4.2Å; P1412-L1417 HydrophobicContact CG-CD2 4.26Å; P1412-L1417 HydrophobicContact CG-CG 4.31Å | ||
| 1413 | D | 67.3 | Low | 50.8 | Low | 75.2 Ų | 75.2 | 114.6 Ų | 114.6 | 40% | 0.402 | 63% | 0.625 | S | S | . | * | trans | -57.6 | 142.2 | -176.4 | 133.6 | 69.4 | 0 | 0 | 0 | 112.5 | L1411 D1415 T1416 L1417 | L1411-D1413 PolarHBondContact O-N 3.4Å; D1413-D1415 VanDerWaalsContact C-N 3.28Å; D1413-D1415 PolarHBondContact O-N 3.07Å; D1413-D1415 VanDerWaalsContact O-N 3.13Å; D1413-D1415 PolarHBondContact OD1-N 3.2Å; D1413-D1415 PolarHBondContact OD2-N 3.44Å; D1413-T1416 PolarHBondContact N-OG1 2.83Å; D1413-T1416 VanDerWaalsContact N-OG1 3.15Å; D1413-T1416 WeakPolarHBondContact O-CA 3.28Å; D1413-T1416 VanDerWaalsContact O-CB 3.32Å; D1413-T1416 WeakPolarHBondContact O-CB 3.38Å; D1413-T1416 PolarHBondContact O-N 3.09Å; D1413-T1416 VanDerWaalsContact O-N 3.11Å; D1413-T1416 PolarHBondContact O-OG1 3.14Å; D1413-T1416 VanDerWaalsContact OD2-CB 3.27Å; D1413-T1416 WeakPolarHBondContact OD2-CB 3.37Å; D1413-T1416 PolarHBondContact OD2-N 3.01Å; D1413-T1416 PolarHBondContact OD2-OG1 3.02Å; D1413-L1417 PolarHBondContact O-N 3.18Å; D1413-L1417 VanDerWaalsContact O-N 3.13Å | ||
| 1414 | P | 65.5 | Low | 52.2 | Low | 99.4 Ų | 99.4 | 111.6 Ų | 111.6 | 65% | 0.645 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -56.2 | -34.3 | 179.6 | 13.3 | -22.4 | 0 | 0 | 0 | 114.3 | L1417 R1418 | P1414-L1417 PolarHBondContact O-N 3.17Å; P1414-R1418 VanDerWaalsContact O-CB 3.24Å; P1414-R1418 WeakPolarHBondContact O-CB 3.32Å; P1414-R1418 PolarHBondContact O-N 3.14Å |
| 1415 | D | 62.7 | Low | 53.5 | Low | 95.2 Ų | 95.2 | 109.9 Ų | 109.9 | 51% | 0.509 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -76.3 | -32.1 | 177.1 | -86 | -32.7 | 0 | 0 | 0 | 112.5 | D1413 L1417 R1418 A1419 | D1413-D1415 VanDerWaalsContact C-N 3.28Å; D1413-D1415 PolarHBondContact O-N 3.07Å; D1413-D1415 VanDerWaalsContact O-N 3.13Å; D1413-D1415 PolarHBondContact OD1-N 3.2Å; D1413-D1415 PolarHBondContact OD2-N 3.44Å; D1415-L1417 VanDerWaalsContact C-N 3.29Å; D1415-L1417 PolarHBondContact O-N 3.02Å; D1415-R1418 CarbonylContact O-C 3.53Å; D1415-R1418 WeakPolarHBondContact O-CA 3.31Å; D1415-R1418 WeakPolarHBondContact O-CB 3.33Å; D1415-R1418 PolarHBondContact O-N 3.18Å; D1415-R1418 VanDerWaalsContact O-N 3.14Å; D1415-R1418 WeakPolarHBondContact OD1-CD 3.37Å; D1415-R1418 IonicContact OD1-CZ 3.37Å; D1415-R1418 IonicContact OD1-NE 3.14Å; D1415-R1418 IonicContact OD1-NH1 3.14Å; D1415-R1418 PolarHBondContact OD1-NH1 3.15Å; D1415-A1419 VanDerWaalsContact O-CB 3.24Å; D1415-A1419 WeakPolarHBondContact O-CB 3.33Å; D1415-A1419 PolarHBondContact O-N 2.94Å |
| 1416 | T | 63.3 | Low | 54.8 | Low | 67 Ų | 67 | 112.8 Ų | 112.8 | 41% | 0.411 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.7 | -41.5 | 167.6 | -48.9 | 0 | 0 | 0 | 0 | 111.7 | P1412 D1413 R1418 A1419 L1420 | P1412-T1416 HydrophobicContact CB-CG2 4.34Å; D1413-T1416 PolarHBondContact N-OG1 2.83Å; D1413-T1416 VanDerWaalsContact N-OG1 3.15Å; D1413-T1416 WeakPolarHBondContact O-CA 3.28Å; D1413-T1416 VanDerWaalsContact O-CB 3.32Å; D1413-T1416 WeakPolarHBondContact O-CB 3.38Å; D1413-T1416 PolarHBondContact O-N 3.09Å; D1413-T1416 VanDerWaalsContact O-N 3.11Å; D1413-T1416 PolarHBondContact O-OG1 3.14Å; D1413-T1416 VanDerWaalsContact OD2-CB 3.27Å; D1413-T1416 WeakPolarHBondContact OD2-CB 3.37Å; D1413-T1416 PolarHBondContact OD2-N 3.01Å; D1413-T1416 PolarHBondContact OD2-OG1 3.02Å; T1416-R1418 VanDerWaalsContact C-N 3.26Å; T1416-R1418 PolarHBondContact O-N 3.21Å; T1416-A1419 PolarHBondContact O-N 3.05Å; T1416-L1420 HydrophobicContact CG2-CD1 4.42Å; T1416-L1420 WeakPolarHBondContact O-CB 3.44Å; T1416-L1420 VanDerWaalsContact O-CG 3.31Å; T1416-L1420 WeakPolarHBondContact O-CG 3.37Å; T1416-L1420 PolarHBondContact O-N 3.31Å; T1416-L1420 VanDerWaalsContact O-N 3.09Å |
| 1417 | L | 61.9 | Low | 56 | Low | 66.6 Ų | 66.6 | 109.4 Ų | 109.4 | 35% | 0.349 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.2 | -30.8 | 171.8 | -80.9 | 170.9 | 0 | 0 | 0 | 112.9 | P1412 D1413 P1414 D1415 R1421 | P1412-L1417 HydrophobicContact CB-CD1 4.11Å; P1412-L1417 HydrophobicContact CB-CG 4.31Å; P1412-L1417 HydrophobicContact CG-CD1 4.2Å; P1412-L1417 HydrophobicContact CG-CD2 4.26Å; P1412-L1417 HydrophobicContact CG-CG 4.31Å; D1413-L1417 PolarHBondContact O-N 3.18Å; D1413-L1417 VanDerWaalsContact O-N 3.13Å; P1414-L1417 PolarHBondContact O-N 3.17Å; D1415-L1417 VanDerWaalsContact C-N 3.29Å; D1415-L1417 PolarHBondContact O-N 3.02Å; L1417-R1421 VanDerWaalsContact O-CB 3.26Å; L1417-R1421 WeakPolarHBondContact O-CB 3.33Å; L1417-R1421 VanDerWaalsContact O-CG 3.31Å; L1417-R1421 WeakPolarHBondContact O-CG 3.3Å; L1417-R1421 PolarHBondContact O-N 3.14Å; L1417-R1421 VanDerWaalsContact O-N 3.13Å; L1417-R1421 PolarHBondContact O-NE 2.9Å |
| 1418 | R | 67.2 | Low | 57 | Low | 155 Ų | 155 | 107.3 Ų | 107.3 | 59% | 0.585 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -73.3 | -37.6 | 175.6 | -167 | 179.6 | -130.9 | -170.4 | 1 | 111.8 | P1414 D1415 T1416 R1421 K1422 | P1414-R1418 VanDerWaalsContact O-CB 3.24Å; P1414-R1418 WeakPolarHBondContact O-CB 3.32Å; P1414-R1418 PolarHBondContact O-N 3.14Å; D1415-R1418 CarbonylContact O-C 3.53Å; D1415-R1418 WeakPolarHBondContact O-CA 3.31Å; D1415-R1418 WeakPolarHBondContact O-CB 3.33Å; D1415-R1418 PolarHBondContact O-N 3.18Å; D1415-R1418 VanDerWaalsContact O-N 3.14Å; D1415-R1418 WeakPolarHBondContact OD1-CD 3.37Å; D1415-R1418 IonicContact OD1-CZ 3.37Å; D1415-R1418 IonicContact OD1-NE 3.14Å; D1415-R1418 IonicContact OD1-NH1 3.14Å; D1415-R1418 PolarHBondContact OD1-NH1 3.15Å; T1416-R1418 VanDerWaalsContact C-N 3.26Å; T1416-R1418 PolarHBondContact O-N 3.21Å; R1418-R1421 PolarHBondContact O-N 3.25Å; R1418-K1422 HydrophobicContact CG-CD 4.27Å; R1418-K1422 WeakPolarHBondContact O-CB 3.25Å; R1418-K1422 WeakPolarHBondContact O-CG 3.36Å; R1418-K1422 PolarHBondContact O-N 3.19Å |
| 1419 | A | 63.8 | Low | 58.1 | Low | 55.2 Ų | 55.2 | 104.6 Ų | 104.6 | 46% | 0.456 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.5 | -46.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D1415 T1416 R1421 K1422 R1423 | D1415-A1419 VanDerWaalsContact O-CB 3.24Å; D1415-A1419 WeakPolarHBondContact O-CB 3.33Å; D1415-A1419 PolarHBondContact O-N 2.94Å; T1416-A1419 PolarHBondContact O-N 3.05Å; A1419-R1421 VanDerWaalsContact C-N 3.34Å; A1419-R1421 PolarHBondContact O-N 3.25Å; A1419-K1422 WeakPolarHBondContact O-CB 3.24Å; A1419-K1422 PolarHBondContact O-N 3.03Å; A1419-K1422 VanDerWaalsContact O-N 3.12Å; A1419-R1423 WeakPolarHBondContact O-CB 3.24Å; A1419-R1423 PolarHBondContact O-N 2.91Å |
| 1420 | L | 62 | Low | 58.8 | Low | 71.8 Ų | 71.8 | 103.2 Ų | 103.2 | 38% | 0.376 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.2 | -49.3 | 173.4 | -72.2 | 170.5 | 0 | 0 | 0 | 111.3 | T1416 K1422 R1423 D1424 | T1416-L1420 HydrophobicContact CG2-CD1 4.42Å; T1416-L1420 WeakPolarHBondContact O-CB 3.44Å; T1416-L1420 VanDerWaalsContact O-CG 3.31Å; T1416-L1420 WeakPolarHBondContact O-CG 3.37Å; T1416-L1420 PolarHBondContact O-N 3.31Å; T1416-L1420 VanDerWaalsContact O-N 3.09Å; L1420-K1422 VanDerWaalsContact C-N 3.32Å; L1420-K1422 PolarHBondContact O-N 3.09Å; L1420-R1423 WeakPolarHBondContact O-CB 3.38Å; L1420-R1423 PolarHBondContact O-N 3.18Å; L1420-D1424 WeakPolarHBondContact O-CB 3.37Å; L1420-D1424 VanDerWaalsContact O-CG 3.23Å; L1420-D1424 PolarHBondContact O-N 3.14Å; L1420-D1424 VanDerWaalsContact O-OD2 3.13Å |
| 1421 | R | 64.9 | Low | 59.1 | Low | 170 Ų | 170 | 98.6 Ų | 98.6 | 64% | 0.642 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.5 | -29 | 176.1 | -90.4 | -178.3 | -106.8 | 173 | 0.5 | 113.8 | L1417 R1418 A1419 K1425 | L1417-R1421 VanDerWaalsContact O-CB 3.26Å; L1417-R1421 WeakPolarHBondContact O-CB 3.33Å; L1417-R1421 VanDerWaalsContact O-CG 3.31Å; L1417-R1421 WeakPolarHBondContact O-CG 3.3Å; L1417-R1421 PolarHBondContact O-N 3.14Å; L1417-R1421 VanDerWaalsContact O-N 3.13Å; L1417-R1421 PolarHBondContact O-NE 2.9Å; R1418-R1421 PolarHBondContact O-N 3.25Å; A1419-R1421 VanDerWaalsContact C-N 3.34Å; A1419-R1421 PolarHBondContact O-N 3.25Å; R1421-K1425 VanDerWaalsContact O-CB 3.31Å; R1421-K1425 WeakPolarHBondContact O-CB 3.35Å; R1421-K1425 WeakPolarHBondContact O-CD 3.23Å; R1421-K1425 VanDerWaalsContact O-CG 3.25Å; R1421-K1425 WeakPolarHBondContact O-CG 3.37Å; R1421-K1425 PolarHBondContact O-N 3.27Å; R1421-K1425 VanDerWaalsContact O-N 3.15Å |
| 1422 | K | 68.1 | Low | 59.8 | Low | 129.2 Ų | 129.2 | 94.2 Ų | 94.2 | 56% | 0.562 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -71.9 | -46.3 | 171 | -83.2 | -178.1 | 176.2 | -178.2 | 0 | 111.6 | R1418 A1419 L1420 D1424 K1425 M1426 E1789 | R1418-K1422 HydrophobicContact CG-CD 4.27Å; R1418-K1422 WeakPolarHBondContact O-CB 3.25Å; R1418-K1422 WeakPolarHBondContact O-CG 3.36Å; R1418-K1422 PolarHBondContact O-N 3.19Å; A1419-K1422 WeakPolarHBondContact O-CB 3.24Å; A1419-K1422 PolarHBondContact O-N 3.03Å; A1419-K1422 VanDerWaalsContact O-N 3.12Å; L1420-K1422 VanDerWaalsContact C-N 3.32Å; L1420-K1422 PolarHBondContact O-N 3.09Å; K1422-D1424 VanDerWaalsContact C-N 3.33Å; K1422-D1424 PolarHBondContact O-N 3.09Å; K1422-K1425 WeakPolarHBondContact O-CB 3.17Å; K1422-K1425 PolarHBondContact O-N 3.09Å; K1422-M1426 WeakPolarHBondContact O-CG 3.11Å; K1422-M1426 PolarHBondContact O-N 2.95Å; K1422-E1789 VanDerWaalsContact CD-OE1 3.27Å; K1422-E1789 WeakPolarHBondContact CD-OE1 3.31Å; K1422-E1789 IonicContact NZ-OE1 2.87Å; K1422-E1789 PolarHBondContact NZ-OE1 3.47Å; K1422-E1789 IonicContact NZ-OE2 3.97Å; K1422-E1789 PolarHBondContact NZ-OE2 3.13Å |
| 1423 | R | 65.8 | Low | 59.2 | Low | 129 Ų | 129 | 93.5 Ų | 93.5 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59 | -46 | 177.4 | -170.3 | -156.5 | 72.9 | 148.9 | 0.4 | 111.5 | A1419 L1420 K1425 M1426 M1427 | A1419-R1423 WeakPolarHBondContact O-CB 3.24Å; A1419-R1423 PolarHBondContact O-N 2.91Å; L1420-R1423 WeakPolarHBondContact O-CB 3.38Å; L1420-R1423 PolarHBondContact O-N 3.18Å; R1423-K1425 VanDerWaalsContact C-N 3.33Å; R1423-K1425 PolarHBondContact O-N 2.87Å; R1423-M1426 CarbonylContact O-C 3.58Å; R1423-M1426 WeakPolarHBondContact O-CB 3.36Å; R1423-M1426 PolarHBondContact O-N 2.95Å; R1423-M1426 VanDerWaalsContact O-N 3.11Å; R1423-M1427 PolarHBondContact O-N 3.02Å |
| 1424 | D | 61.4 | Low | 58.1 | Low | 62.8 Ų | 62.8 | 95.2 Ų | 95.2 | 34% | 0.336 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.2 | -32.7 | -177.7 | -62.6 | -10.3 | 0 | 0 | 0 | 111.3 | L1420 K1422 M1427 M1428 | L1420-D1424 WeakPolarHBondContact O-CB 3.37Å; L1420-D1424 VanDerWaalsContact O-CG 3.23Å; L1420-D1424 PolarHBondContact O-N 3.14Å; L1420-D1424 VanDerWaalsContact O-OD2 3.13Å; K1422-D1424 VanDerWaalsContact C-N 3.33Å; K1422-D1424 PolarHBondContact O-N 3.09Å; D1424-M1427 PolarHBondContact O-N 3.05Å; D1424-M1427 WeakPolarHBondContact OD1-CE 3.49Å; D1424-M1428 VanDerWaalsContact O-CB 3.28Å; D1424-M1428 WeakPolarHBondContact O-CB 3.41Å; D1424-M1428 VanDerWaalsContact O-CG 3.29Å; D1424-M1428 WeakPolarHBondContact O-CG 3.29Å; D1424-M1428 PolarHBondContact O-N 2.99Å |
| 1425 | K | 56.5 | Low | 56.8 | Low | 124.4 Ų | 124.4 | 99.2 Ų | 99.2 | 54% | 0.541 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 166.6 | -81 | -174.4 | 174.6 | -166.9 | 0 | 112.5 | R1421 K1422 R1423 M1427 M1428 V1429 | R1421-K1425 VanDerWaalsContact O-CB 3.31Å; R1421-K1425 WeakPolarHBondContact O-CB 3.35Å; R1421-K1425 WeakPolarHBondContact O-CD 3.23Å; R1421-K1425 VanDerWaalsContact O-CG 3.25Å; R1421-K1425 WeakPolarHBondContact O-CG 3.37Å; R1421-K1425 PolarHBondContact O-N 3.27Å; R1421-K1425 VanDerWaalsContact O-N 3.15Å; K1422-K1425 WeakPolarHBondContact O-CB 3.17Å; K1422-K1425 PolarHBondContact O-N 3.09Å; R1423-K1425 VanDerWaalsContact C-N 3.33Å; R1423-K1425 PolarHBondContact O-N 2.87Å; K1425-M1427 VanDerWaalsContact C-N 3.3Å; K1425-M1427 PolarHBondContact O-N 2.84Å; K1425-M1428 PolarHBondContact O-N 2.96Å; K1425-V1429 WeakPolarHBondContact O-CB 3.27Å; K1425-V1429 VanDerWaalsContact O-CG2 3.28Å; K1425-V1429 WeakPolarHBondContact O-CG2 3.26Å; K1425-V1429 PolarHBondContact O-N 2.84Å |
| 1426 | M | 56.4 | Low | 55.6 | Low | 132.2 Ų | 132.2 | 98.7 Ų | 98.7 | 65% | 0.651 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.1 | -41 | 174.7 | -79.6 | 177.9 | 64.8 | 0 | 0 | 111.9 | K1422 R1423 V1429 A1430 N1792 | K1422-M1426 WeakPolarHBondContact O-CG 3.11Å; K1422-M1426 PolarHBondContact O-N 2.95Å; R1423-M1426 CarbonylContact O-C 3.58Å; R1423-M1426 WeakPolarHBondContact O-CB 3.36Å; R1423-M1426 PolarHBondContact O-N 2.95Å; R1423-M1426 VanDerWaalsContact O-N 3.11Å; M1426-V1429 PolarHBondContact O-N 2.78Å; M1426-A1430 VanDerWaalsContact O-CB 3.28Å; M1426-A1430 WeakPolarHBondContact O-CB 3.24Å; M1426-A1430 PolarHBondContact O-N 3.19Å; M1426-N1792 WeakPolarHBondContact CE-OD1 3.28Å |
| 1427 | M | 55.7 | Low | 54.5 | Low | 93 Ų | 93 | 100.5 Ų | 100.5 | 46% | 0.458 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 174.9 | -107.1 | -162.9 | -54.7 | 0 | 0 | 111.9 | R1423 D1424 K1425 V1429 A1430 A1431 | R1423-M1427 PolarHBondContact O-N 3.02Å; D1424-M1427 PolarHBondContact O-N 3.05Å; D1424-M1427 WeakPolarHBondContact OD1-CE 3.49Å; K1425-M1427 VanDerWaalsContact C-N 3.3Å; K1425-M1427 PolarHBondContact O-N 2.84Å; M1427-V1429 PolarHBondContact O-N 3.1Å; M1427-A1430 PolarHBondContact O-N 3.04Å; M1427-A1431 VanDerWaalsContact O-CB 3.26Å; M1427-A1431 WeakPolarHBondContact O-CB 3.35Å; M1427-A1431 PolarHBondContact O-N 2.86Å |
| 1428 | M | 52.8 | Low | 53.2 | Low | 109.8 Ų | 109.8 | 103 Ų | 103 | 54% | 0.541 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 173.5 | -97 | -93.9 | -76.3 | 0 | 0 | 112.1 | D1424 K1425 A1430 A1431 T1432 | D1424-M1428 VanDerWaalsContact O-CB 3.28Å; D1424-M1428 WeakPolarHBondContact O-CB 3.41Å; D1424-M1428 VanDerWaalsContact O-CG 3.29Å; D1424-M1428 WeakPolarHBondContact O-CG 3.29Å; D1424-M1428 PolarHBondContact O-N 2.99Å; K1425-M1428 PolarHBondContact O-N 2.96Å; M1428-A1430 VanDerWaalsContact C-N 3.32Å; M1428-A1430 PolarHBondContact O-N 2.88Å; M1428-A1431 CarbonylContact O-C 3.53Å; M1428-A1431 PolarHBondContact O-N 2.92Å; M1428-T1432 VanDerWaalsContact O-CB 3.26Å; M1428-T1432 WeakPolarHBondContact O-CB 3.39Å; M1428-T1432 VanDerWaalsContact O-CG2 3.29Å; M1428-T1432 WeakPolarHBondContact O-CG2 3.26Å; M1428-T1432 PolarHBondContact O-N 3.29Å; M1428-T1432 PolarHBondContact O-OG1 3.04Å; M1428-T1432 HydrophobicContact SD-CG2 4.35Å |
| 1429 | V | 55.9 | Low | 51.4 | Low | 51.2 Ų | 51.2 | 105 Ų | 105 | 31% | 0.31 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.8 | -42.2 | 177 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | K1425 M1426 M1427 A1431 T1432 G1433 Y1435 | K1425-V1429 WeakPolarHBondContact O-CB 3.27Å; K1425-V1429 VanDerWaalsContact O-CG2 3.28Å; K1425-V1429 WeakPolarHBondContact O-CG2 3.26Å; K1425-V1429 PolarHBondContact O-N 2.84Å; M1426-V1429 PolarHBondContact O-N 2.78Å; M1427-V1429 PolarHBondContact O-N 3.1Å; V1429-A1431 VanDerWaalsContact C-N 3.32Å; V1429-A1431 PolarHBondContact O-N 3.04Å; V1429-T1432 PolarHBondContact O-N 3.08Å; V1429-G1433 WeakPolarHBondContact O-CA 3.19Å; V1429-G1433 PolarHBondContact O-N 3.05Å; V1429-Y1435 HydrophobicContact CG1-CD2 4.11Å; V1429-Y1435 HydrophobicContact CG1-CE2 4.26Å; V1429-Y1435 HydrophobicContact CG2-CD2 4.25Å |
| 1430 | A | 51 | Low | 50 | Low | 83 Ų | 83 | 109.6 Ų | 109.6 | 69% | 0.686 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.1 | -29.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1426 M1427 M1428 | M1426-A1430 VanDerWaalsContact O-CB 3.28Å; M1426-A1430 WeakPolarHBondContact O-CB 3.24Å; M1426-A1430 PolarHBondContact O-N 3.19Å; M1427-A1430 PolarHBondContact O-N 3.04Å; M1428-A1430 VanDerWaalsContact C-N 3.32Å; M1428-A1430 PolarHBondContact O-N 2.88Å |
| 1431 | A | 47.3 | Very low | 48.4 | Very low | 59.8 Ų | 59.8 | 109.6 Ų | 109.6 | 49% | 0.494 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -86.9 | -30.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1427 M1428 V1429 R2196 | M1427-A1431 VanDerWaalsContact O-CB 3.26Å; M1427-A1431 WeakPolarHBondContact O-CB 3.35Å; M1427-A1431 PolarHBondContact O-N 2.86Å; M1428-A1431 CarbonylContact O-C 3.53Å; M1428-A1431 PolarHBondContact O-N 2.92Å; V1429-A1431 VanDerWaalsContact C-N 3.32Å; V1429-A1431 PolarHBondContact O-N 3.04Å; A1431-R2196 PolarHBondContact O-NH1 2.77Å; A1431-R2196 PolarHBondContact O-NH2 2.71Å |
| 1432 | T | 55.8 | Low | 46.8 | Very low | 69.8 Ų | 69.8 | 107.5 Ų | 107.5 | 43% | 0.428 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -103.2 | -20.3 | -175.8 | 62.9 | 0 | 0 | 0 | 0 | 114.3 | M1428 V1429 I1434 | M1428-T1432 VanDerWaalsContact O-CB 3.26Å; M1428-T1432 WeakPolarHBondContact O-CB 3.39Å; M1428-T1432 VanDerWaalsContact O-CG2 3.29Å; M1428-T1432 WeakPolarHBondContact O-CG2 3.26Å; M1428-T1432 PolarHBondContact O-N 3.29Å; M1428-T1432 PolarHBondContact O-OG1 3.04Å; M1428-T1432 HydrophobicContact SD-CG2 4.35Å; V1429-T1432 PolarHBondContact O-N 3.08Å; T1432-I1434 WeakPolarHBondContact O-CG1 3.16Å; T1432-I1434 PolarHBondContact O-N 2.94Å; T1432-I1434 PolarHBondContact OG1-N 3Å |
| 1433 | G | 38.6 | Very low | 45 | Very low | 64.8 Ų | 64.8 | 105 Ų | 105 | 67% | 0.668 | 61% | 0.612 | S | S | * | * | trans | 71.2 | -4.3 | -172 | 0 | 0 | 0 | 0 | 0 | 114.6 | V1429 Y1435 | V1429-G1433 WeakPolarHBondContact O-CA 3.19Å; V1429-G1433 PolarHBondContact O-N 3.05Å; G1433-Y1435 PolarHBondContact O-N 2.9Å | ||
| 1434 | I | 44.5 | Very low | 43.3 | Very low | 109.6 Ų | 109.6 | 108.4 Ų | 108.4 | 56% | 0.562 | 63% | 0.634 | S | S | * | * | trans | -95.4 | 111.8 | -175.1 | -60.7 | 169.9 | 0 | 0 | 0 | 110 | T1432 S1436 | T1432-I1434 WeakPolarHBondContact O-CG1 3.16Å; T1432-I1434 PolarHBondContact O-N 2.94Å; T1432-I1434 PolarHBondContact OG1-N 3Å; I1434-S1436 PolarHBondContact O-N 3.35Å | ||
| 1435 | Y | 38.1 | Very low | 41.7 | Very low | 183.2 Ų | 183.2 | 110.5 Ų | 110.5 | 72% | 0.718 | 66% | 0.659 | S | S | * | * | trans | -84.2 | 113.9 | 171.6 | -157.2 | -88.4 | 0 | 0 | 0 | 110 | V1429 G1433 P1437 | V1429-Y1435 HydrophobicContact CG1-CD2 4.11Å; V1429-Y1435 HydrophobicContact CG1-CE2 4.26Å; V1429-Y1435 HydrophobicContact CG2-CD2 4.25Å; G1433-Y1435 PolarHBondContact O-N 2.9Å; Y1435-P1437 WeakPolarHBondContact O-CD 3.4Å | ||
| 1436 | S | 37.5 | Very low | 40.5 | Very low | 85.6 Ų | 85.6 | 108.1 Ų | 108.1 | 60% | 0.599 | 67% | 0.67 | S | S | * | * | trans | -101.7 | 108.4 | 175.6 | -63.1 | 0 | 0 | 0 | 0 | 110.6 | I1434 I1438 | I1434-S1436 PolarHBondContact O-N 3.35Å; S1436-I1438 PolarHBondContact O-N 3.46Å | ||
| 1437 | P | 39.6 | Very low | 39.2 | Very low | 104 Ų | 104 | 111.4 Ų | 111.4 | 68% | 0.675 | 68% | 0.677 | S | S | * | * | trans | -68.9 | 134.8 | 176.3 | 19.8 | -21.6 | 0 | 0 | 0 | 111 | Y1435 F1439 | Y1435-P1437 WeakPolarHBondContact O-CD 3.4Å; P1437-F1439 PolarHBondContact O-N 3.14Å | ||
| 1438 | I | 34.1 | Very low | 38.1 | Very low | 120.6 Ų | 120.6 | 114.5 Ų | 114.5 | 62% | 0.618 | 69% | 0.688 | S | S | * | * | trans | -91.2 | 110.7 | 175.1 | -60.3 | 175.9 | 0 | 0 | 0 | 108.6 | S1436 N1440 | S1436-I1438 PolarHBondContact O-N 3.46Å; I1438-N1440 WeakPolarHBondContact CG2-OD1 2.91Å; I1438-N1440 PolarHBondContact O-N 3.18Å; I1438-N1440 VanDerWaalsContact O-N 3.16Å | ||
| 1439 | F | 29.6 | Very low | 37 | Very low | 196.8 Ų | 196.8 | 115.7 Ų | 115.7 | 86% | 0.863 | 70% | 0.697 | S | S | * | * | trans | -80.9 | 118.4 | 165.4 | -111.5 | -94.3 | 0 | 0 | 0 | 109.8 | P1437 G1441 | P1437-F1439 PolarHBondContact O-N 3.14Å; F1439-G1441 PolarHBondContact O-N 3.07Å | ||
| 1440 | N | 33.4 | Very low | 36 | Very low | 150 Ų | 150 | 120.1 Ų | 120.1 | 80% | 0.802 | 72% | 0.718 | S | S | * | * | trans | -95.6 | 120.1 | 163.2 | -81.9 | -17.3 | 0 | 0 | 0 | 108 | I1438 | I1438-N1440 WeakPolarHBondContact CG2-OD1 2.91Å; I1438-N1440 PolarHBondContact O-N 3.18Å; I1438-N1440 VanDerWaalsContact O-N 3.16Å | ||
| 1441 | G | 28.7 | Very low | 35.3 | Very low | 72.8 Ų | 72.8 | 123 Ų | 123 | 75% | 0.751 | 72% | 0.722 | S | S | * | * | trans | -120.1 | 143.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | F1439 | F1439-G1441 PolarHBondContact O-N 3.07Š| ||
| 1442 | S | 31.9 | Very low | 34.5 | Very low | 126.4 Ų | 126.4 | 126.8 Ų | 126.8 | 88% | 0.884 | 73% | 0.734 | S | S | * | * | trans | -102.7 | 120.9 | 168.2 | 55 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1443 | G | 30.1 | Very low | 33.3 | Very low | 75.4 Ų | 75.4 | 130.7 Ų | 130.7 | 78% | 0.777 | 75% | 0.752 | S | S | * | * | trans | 158.3 | 114.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1444 | Q | 31.2 | Very low | 33.1 | Very low | 201.6 Ų | 201.6 | 133.2 Ų | 133.2 | 94% | 0.942 | 75% | 0.754 | S | S | * | * | trans | -139.4 | 165.8 | 139.9 | -89.4 | 173.9 | -47.5 | 0 | 0 | 113.2 | ||||
| 1445 | A | 27.7 | Very low | 32.5 | Very low | 105.8 Ų | 105.8 | 136.2 Ų | 136.2 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | -117.6 | 142.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1446 | G | 29.7 | Very low | 32.4 | Very low | 75 Ų | 75 | 137.1 Ų | 137.1 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | 157.7 | 116.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1447 | Y | 31 | Very low | 32.1 | Very low | 201.6 Ų | 201.6 | 140.6 Ų | 140.6 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | 165.5 | 114.3 | 105.1 | -163.1 | -86.9 | 0 | 0 | 0 | 112.1 | |||||
| 1448 | F | 30.8 | Very low | 31.8 | Very low | 158.4 Ų | 158.4 | 143 Ų | 143 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | trans | 110.3 | 113.5 | 165.7 | -100.7 | -88.8 | 0 | 0 | 0 | 114.6 | ||||
| 1449 | D | 31.4 | Very low | 32 | Very low | 134.6 Ų | 134.6 | 143.5 Ų | 143.5 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | -149.9 | 116.7 | 140.8 | -74.2 | -45.8 | 0 | 0 | 0 | 113.1 | ||||
| 1450 | D | 34.8 | Very low | 32.6 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | trans | -146.8 | 107.1 | 154.2 | -92.9 | -28.4 | 0 | 0 | 0 | 112.3 | N1452 | D1450-N1452 VanDerWaalsContact C-N 3.34Š| ||
| 1451 | L | 35.4 | Very low | 33.2 | Very low | 144.6 Ų | 144.6 | 139.5 Ų | 139.5 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | trans | 51.2 | 105 | 153.9 | -64.7 | 175.8 | 0 | 0 | 0 | 114.3 | D1453 | L1451-D1453 VanDerWaalsContact C-N 3.3Å; L1451-D1453 PolarHBondContact O-N 3.42Å | ||
| 1452 | N | 31.5 | Very low | 34 | Very low | 139 Ų | 139 | 140.7 Ų | 140.7 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | -96.1 | 103.9 | 137.7 | -79.6 | -24.1 | 0 | 0 | 0 | 112.3 | D1450 V1454 | D1450-N1452 VanDerWaalsContact C-N 3.34Å; N1452-V1454 PolarHBondContact O-N 3.15Å | ||
| 1453 | D | 29.7 | Very low | 35 | Very low | 152.8 Ų | 152.8 | 139.4 Ų | 139.4 | 82% | 0.817 | 74% | 0.744 | S | S | * | * | trans | -29.7 | 98.7 | 153.9 | -63.2 | -42.3 | 0 | 0 | 0 | 113.2 | L1451 E1455 | L1451-D1453 VanDerWaalsContact C-N 3.3Å; L1451-D1453 PolarHBondContact O-N 3.42Å; D1453-E1455 PolarHBondContact O-N 2.9Å | ||
| 1454 | V | 33.9 | Very low | 36.3 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 71% | 0.709 | 73% | 0.73 | S | S | * | * | trans | -114.4 | 116.3 | 153.9 | -172.4 | 0 | 0 | 0 | 0 | 107.5 | N1452 Y1456 | N1452-V1454 PolarHBondContact O-N 3.15Å; V1454-Y1456 HydrophobicContact CB-CD2 4.43Å; V1454-Y1456 HydrophobicContact CG1-CD2 3.98Å; V1454-Y1456 HydrophobicContact CG1-CE2 4.01Å; V1454-Y1456 PolarHBondContact O-N 3.29Å; V1454-Y1456 VanDerWaalsContact O-N 3.11Å | ||
| 1455 | E | 31.7 | Very low | 37.3 | Very low | 172.2 Ų | 172.2 | 135.1 Ų | 135.1 | 81% | 0.805 | 71% | 0.706 | S | S | * | * | trans | -68.7 | 113.3 | 171.7 | -103.9 | 172.8 | 154.9 | 0 | 0 | 109.8 | K1125 D1453 Q1457 | K1125-E1455 IonicContact NZ-OE1 3.73Å; K1125-E1455 PolarHBondContact NZ-OE1 3.36Å; D1453-E1455 PolarHBondContact O-N 2.9Å; E1455-Q1457 HydrophobicContact CG-CG 4.38Å; E1455-Q1457 PolarHBondContact O-N 2.94Å; E1455-Q1457 VanDerWaalsContact O-N 3.1Å | ||
| 1456 | Y | 35.9 | Very low | 39.1 | Very low | 201.8 Ų | 201.8 | 134.9 Ų | 134.9 | 79% | 0.791 | 69% | 0.685 | S | S | * | * | trans | -113.5 | 127.3 | 161.2 | -88.8 | -82.7 | 0 | 0 | 0 | 110.9 | V1454 D1458 | V1454-Y1456 HydrophobicContact CB-CD2 4.43Å; V1454-Y1456 HydrophobicContact CG1-CD2 3.98Å; V1454-Y1456 HydrophobicContact CG1-CE2 4.01Å; V1454-Y1456 PolarHBondContact O-N 3.29Å; V1454-Y1456 VanDerWaalsContact O-N 3.11Å; Y1456-D1458 VanDerWaalsContact C-N 3.34Å; Y1456-D1458 PolarHBondContact O-N 3.08Å | ||
| 1457 | Q | 31.7 | Very low | 40.7 | Very low | 158.8 Ų | 158.8 | 136.3 Ų | 136.3 | 74% | 0.742 | 67% | 0.672 | S | S | * | * | trans | -76.1 | 110.7 | 174.2 | -60.9 | 174.6 | -108 | 0 | 0 | 111.8 | E1455 D1459 | E1455-Q1457 HydrophobicContact CG-CG 4.38Å; E1455-Q1457 PolarHBondContact O-N 2.94Å; E1455-Q1457 VanDerWaalsContact O-N 3.1Å; Q1457-D1459 HydrophobicContact CB-CB 4.33Å; Q1457-D1459 PolarHBondContact NE2-OD2 3.19Å; Q1457-D1459 PolarHBondContact O-N 2.98Å | ||
| 1458 | D | 34.6 | Very low | 42.2 | Very low | 154 Ų | 154 | 131.3 Ų | 131.3 | 82% | 0.824 | 66% | 0.658 | S | S | * | * | trans | -105.7 | 85.5 | 153.8 | -73.1 | -41.8 | 0 | 0 | 0 | 110.2 | Y1456 D1460 D1461 | Y1456-D1458 VanDerWaalsContact C-N 3.34Å; Y1456-D1458 PolarHBondContact O-N 3.08Å; D1458-D1460 PolarHBondContact O-N 3.01Å; D1458-D1461 PolarHBondContact O-N 3.38Å | ||
| 1459 | D | 36.4 | Very low | 43.8 | Very low | 132.2 Ų | 132.2 | 128.8 Ų | 128.8 | 71% | 0.707 | 65% | 0.647 | S | S | * | * | trans | -95.9 | 81.1 | 170.6 | -76.8 | -57.6 | 0 | 0 | 0 | 110.5 | Q1457 D1461 E1463 | Q1457-D1459 HydrophobicContact CB-CB 4.33Å; Q1457-D1459 PolarHBondContact NE2-OD2 3.19Å; Q1457-D1459 PolarHBondContact O-N 2.98Å; D1459-D1461 PolarHBondContact O-N 2.84Å; D1459-E1463 PolarHBondContact O-N 3.31Å; D1459-E1463 VanDerWaalsContact O-N 3.12Å | ||
| 1460 | D | 44 | Very low | 45.7 | Very low | 132.6 Ų | 132.6 | 128.5 Ų | 128.5 | 71% | 0.709 | 64% | 0.639 | S | S | * | * | trans | -153.6 | -32.3 | 163.2 | -102.2 | -26.4 | 0 | 0 | 0 | 114.8 | D1458 D1462 E1463 I1464 | D1458-D1460 PolarHBondContact O-N 3.01Å; D1460-D1462 VanDerWaalsContact C-N 3.29Å; D1460-D1462 PolarHBondContact O-N 3.12Å; D1460-D1462 VanDerWaalsContact O-N 3.15Å; D1460-E1463 CarbonylContact O-C 3.26Å; D1460-E1463 WeakPolarHBondContact O-CA 3.32Å; D1460-E1463 WeakPolarHBondContact O-CB 3.46Å; D1460-E1463 PolarHBondContact O-N 3.08Å; D1460-E1463 VanDerWaalsContact O-N 3.14Å; D1460-I1464 WeakPolarHBondContact O-CB 3.47Å; D1460-I1464 WeakPolarHBondContact O-CD1 3.45Å; D1460-I1464 WeakPolarHBondContact O-CG1 3.47Å; D1460-I1464 PolarHBondContact O-N 3.26Å | ||
| 1461 | D | 44.6 | Very low | 47.1 | Very low | 129.2 Ų | 129.2 | 126.4 Ų | 126.4 | 69% | 0.691 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.2 | -29.4 | -172.5 | -97.3 | -25.9 | 0 | 0 | 0 | 114.1 | D1458 D1459 E1463 I1464 E1465 | D1458-D1461 PolarHBondContact O-N 3.38Å; D1459-D1461 PolarHBondContact O-N 2.84Å; D1461-E1463 VanDerWaalsContact C-N 3.28Å; D1461-E1463 PolarHBondContact O-N 3.03Å; D1461-I1464 PolarHBondContact O-N 2.99Å; D1461-I1464 VanDerWaalsContact O-N 3.07Å; D1461-E1465 PolarHBondContact O-N 3.31Å; D1461-E1465 VanDerWaalsContact O-N 3.13Å |
| 1462 | D | 46.7 | Very low | 48.2 | Very low | 99 Ų | 99 | 124.4 Ų | 124.4 | 53% | 0.529 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -72.2 | -19.9 | -178.4 | -161.3 | 37.3 | 0 | 0 | 0 | 112.4 | D1460 K1466 | D1460-D1462 VanDerWaalsContact C-N 3.29Å; D1460-D1462 PolarHBondContact O-N 3.12Å; D1460-D1462 VanDerWaalsContact O-N 3.15Å; D1462-K1466 VanDerWaalsContact CG-CE 3.47Å; D1462-K1466 VanDerWaalsContact CG-NZ 3.31Å; D1462-K1466 VanDerWaalsContact O-CB 3.25Å; D1462-K1466 WeakPolarHBondContact O-CB 3.43Å; D1462-K1466 VanDerWaalsContact O-CD 3.32Å; D1462-K1466 WeakPolarHBondContact O-CD 3.4Å; D1462-K1466 WeakPolarHBondContact O-CE 3.16Å; D1462-K1466 VanDerWaalsContact O-CG 3.26Å; D1462-K1466 WeakPolarHBondContact O-CG 3.33Å; D1462-K1466 PolarHBondContact O-N 2.98Å; D1462-K1466 VanDerWaalsContact O-N 3.11Å; D1462-K1466 PolarHBondContact O-NZ 3.25Å; D1462-K1466 IonicContact OD1-NZ 3.27Å; D1462-K1466 PolarHBondContact OD1-NZ 3.39Å; D1462-K1466 WeakPolarHBondContact OD2-CE 3.33Å; D1462-K1466 IonicContact OD2-NZ 3.45Å; D1462-K1466 PolarHBondContact OD2-NZ 3.25Å |
| 1463 | E | 53 | Low | 49.4 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 46% | 0.463 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -79.1 | -35.9 | 170.4 | -175.8 | 74.4 | -157.2 | 0 | 0 | 111.6 | D1459 D1460 D1461 K1466 Q1467 | D1459-E1463 PolarHBondContact O-N 3.31Å; D1459-E1463 VanDerWaalsContact O-N 3.12Å; D1460-E1463 CarbonylContact O-C 3.26Å; D1460-E1463 WeakPolarHBondContact O-CA 3.32Å; D1460-E1463 WeakPolarHBondContact O-CB 3.46Å; D1460-E1463 PolarHBondContact O-N 3.08Å; D1460-E1463 VanDerWaalsContact O-N 3.14Å; D1461-E1463 VanDerWaalsContact C-N 3.28Å; D1461-E1463 PolarHBondContact O-N 3.03Å; E1463-K1466 CarbonylContact O-C 3.46Å; E1463-K1466 WeakPolarHBondContact O-CB 3.26Å; E1463-K1466 PolarHBondContact O-N 3.04Å; E1463-Q1467 HydrophobicContact CG-CG 4.41Å; E1463-Q1467 VanDerWaalsContact O-CB 3.29Å; E1463-Q1467 WeakPolarHBondContact O-CB 3.35Å; E1463-Q1467 VanDerWaalsContact O-CG 3.28Å; E1463-Q1467 WeakPolarHBondContact O-CG 3.4Å; E1463-Q1467 PolarHBondContact O-N 2.97Å; E1463-Q1467 PolarHBondContact OE1-NE2 3.26Å |
| 1464 | I | 56.1 | Low | 50.8 | Low | 93.6 Ų | 93.6 | 127.4 Ų | 127.4 | 48% | 0.48 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.3 | -43.8 | 176.3 | -63.9 | 175.2 | 0 | 0 | 0 | 110.6 | D1460 D1461 K1466 Q1467 L1468 | D1460-I1464 WeakPolarHBondContact O-CB 3.47Å; D1460-I1464 WeakPolarHBondContact O-CD1 3.45Å; D1460-I1464 WeakPolarHBondContact O-CG1 3.47Å; D1460-I1464 PolarHBondContact O-N 3.26Å; D1461-I1464 PolarHBondContact O-N 2.99Å; D1461-I1464 VanDerWaalsContact O-N 3.07Å; I1464-K1466 VanDerWaalsContact C-N 3.32Å; I1464-K1466 PolarHBondContact O-N 2.91Å; I1464-Q1467 CarbonylContact O-C 3.47Å; I1464-Q1467 PolarHBondContact O-N 3.17Å; I1464-Q1467 VanDerWaalsContact O-N 3.13Å; I1464-L1468 HydrophobicContact CG2-CD1 4.05Å; I1464-L1468 HydrophobicContact CG2-CG 4.43Å; I1464-L1468 WeakPolarHBondContact O-CB 3.24Å; I1464-L1468 WeakPolarHBondContact O-CG 3.31Å; I1464-L1468 PolarHBondContact O-N 3.13Å |
| 1465 | E | 53.3 | Low | 51.8 | Low | 93.4 Ų | 93.4 | 126.9 Ų | 126.9 | 44% | 0.436 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.3 | -33.4 | 177.1 | -149.4 | -151.6 | 166.9 | 0 | 0 | 111.8 | D1461 L1468 K1469 | D1461-E1465 PolarHBondContact O-N 3.31Å; D1461-E1465 VanDerWaalsContact O-N 3.13Å; E1465-L1468 PolarHBondContact O-N 2.8Å; E1465-K1469 VanDerWaalsContact CD-CE 3.44Å; E1465-K1469 HydrophobicContact CG-CD 4.45Å; E1465-K1469 VanDerWaalsContact O-CB 3.3Å; E1465-K1469 WeakPolarHBondContact O-CB 3.3Å; E1465-K1469 VanDerWaalsContact O-CD 3.31Å; E1465-K1469 WeakPolarHBondContact O-CD 3.32Å; E1465-K1469 VanDerWaalsContact O-CG 3.27Å; E1465-K1469 WeakPolarHBondContact O-CG 3.37Å; E1465-K1469 PolarHBondContact O-N 2.98Å; E1465-K1469 WeakPolarHBondContact OE1-CE 3.4Å; E1465-K1469 IonicContact OE1-NZ 3.05Å; E1465-K1469 PolarHBondContact OE1-NZ 3.06Å; E1465-K1469 VanDerWaalsContact OE2-CE 3.3Å; E1465-K1469 WeakPolarHBondContact OE2-CE 3.2Å; E1465-K1469 IonicContact OE2-NZ 2.91Å; E1465-K1469 PolarHBondContact OE2-NZ 2.9Å |
| 1466 | K | 64.8 | Low | 52.6 | Low | 100.6 Ų | 100.6 | 121.9 Ų | 121.9 | 44% | 0.437 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64 | -41.5 | 169.3 | -75.9 | 172.4 | -162.5 | 111.5 | 0 | 111.7 | D1462 E1463 I1464 K1469 K1470 | D1462-K1466 VanDerWaalsContact CG-CE 3.47Å; D1462-K1466 VanDerWaalsContact CG-NZ 3.31Å; D1462-K1466 VanDerWaalsContact O-CB 3.25Å; D1462-K1466 WeakPolarHBondContact O-CB 3.43Å; D1462-K1466 VanDerWaalsContact O-CD 3.32Å; D1462-K1466 WeakPolarHBondContact O-CD 3.4Å; D1462-K1466 WeakPolarHBondContact O-CE 3.16Å; D1462-K1466 VanDerWaalsContact O-CG 3.26Å; D1462-K1466 WeakPolarHBondContact O-CG 3.33Å; D1462-K1466 PolarHBondContact O-N 2.98Å; D1462-K1466 VanDerWaalsContact O-N 3.11Å; D1462-K1466 PolarHBondContact O-NZ 3.25Å; D1462-K1466 IonicContact OD1-NZ 3.27Å; D1462-K1466 PolarHBondContact OD1-NZ 3.39Å; D1462-K1466 WeakPolarHBondContact OD2-CE 3.33Å; D1462-K1466 IonicContact OD2-NZ 3.45Å; D1462-K1466 PolarHBondContact OD2-NZ 3.25Å; E1463-K1466 CarbonylContact O-C 3.46Å; E1463-K1466 WeakPolarHBondContact O-CB 3.26Å; E1463-K1466 PolarHBondContact O-N 3.04Å; I1464-K1466 VanDerWaalsContact C-N 3.32Å; I1464-K1466 PolarHBondContact O-N 2.91Å; K1466-K1469 CarbonylContact O-C 3.55Å; K1466-K1469 PolarHBondContact O-N 3Å; K1466-K1470 VanDerWaalsContact O-CB 3.25Å; K1466-K1470 WeakPolarHBondContact O-CB 3.29Å; K1466-K1470 PolarHBondContact O-N 3.12Å |
| 1467 | Q | 63.9 | Low | 53.3 | Low | 105.6 Ų | 105.6 | 119.8 Ų | 119.8 | 49% | 0.493 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.2 | -43.6 | 176.8 | -73.2 | -177.1 | 30.8 | 0 | 0 | 111.7 | E1463 I1464 K1469 K1470 E1471 | E1463-Q1467 HydrophobicContact CG-CG 4.41Å; E1463-Q1467 VanDerWaalsContact O-CB 3.29Å; E1463-Q1467 WeakPolarHBondContact O-CB 3.35Å; E1463-Q1467 VanDerWaalsContact O-CG 3.28Å; E1463-Q1467 WeakPolarHBondContact O-CG 3.4Å; E1463-Q1467 PolarHBondContact O-N 2.97Å; E1463-Q1467 PolarHBondContact OE1-NE2 3.26Å; I1464-Q1467 CarbonylContact O-C 3.47Å; I1464-Q1467 PolarHBondContact O-N 3.17Å; I1464-Q1467 VanDerWaalsContact O-N 3.13Å; Q1467-K1469 VanDerWaalsContact C-N 3.35Å; Q1467-K1469 PolarHBondContact O-N 3.04Å; Q1467-K1470 CarbonylContact O-C 3.54Å; Q1467-K1470 WeakPolarHBondContact O-CA 3.41Å; Q1467-K1470 WeakPolarHBondContact O-CB 3.3Å; Q1467-K1470 PolarHBondContact O-N 3.22Å; Q1467-K1470 VanDerWaalsContact O-N 3.1Å; Q1467-E1471 WeakPolarHBondContact O-CB 3.33Å; Q1467-E1471 WeakPolarHBondContact O-CG 3.41Å; Q1467-E1471 PolarHBondContact O-N 2.93Å |
| 1468 | L | 61.4 | Low | 54.1 | Low | 96 Ų | 96 | 114.5 Ų | 114.5 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.5 | -39.3 | 174 | -74.7 | 168.6 | 0 | 0 | 0 | 112.7 | I1464 E1465 K1470 E1471 N1472 | I1464-L1468 HydrophobicContact CG2-CD1 4.05Å; I1464-L1468 HydrophobicContact CG2-CG 4.43Å; I1464-L1468 WeakPolarHBondContact O-CB 3.24Å; I1464-L1468 WeakPolarHBondContact O-CG 3.31Å; I1464-L1468 PolarHBondContact O-N 3.13Å; E1465-L1468 PolarHBondContact O-N 2.8Å; L1468-K1470 VanDerWaalsContact C-N 3.3Å; L1468-K1470 PolarHBondContact O-N 3.06Å; L1468-E1471 PolarHBondContact O-N 3.25Å; L1468-N1472 VanDerWaalsContact O-CB 3.28Å; L1468-N1472 WeakPolarHBondContact O-CB 3.41Å; L1468-N1472 PolarHBondContact O-N 3.21Å; L1468-N1472 PolarHBondContact O-ND2 3.19Å |
| 1469 | K | 65.7 | Low | 54.6 | Low | 106 Ų | 106 | 112.7 Ų | 112.7 | 46% | 0.461 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.4 | -29.8 | 172.3 | -76 | 168.1 | 178.9 | 162.9 | 0 | 112.4 | E1465 K1466 Q1467 R1473 | E1465-K1469 VanDerWaalsContact CD-CE 3.44Å; E1465-K1469 HydrophobicContact CG-CD 4.45Å; E1465-K1469 VanDerWaalsContact O-CB 3.3Å; E1465-K1469 WeakPolarHBondContact O-CB 3.3Å; E1465-K1469 VanDerWaalsContact O-CD 3.31Å; E1465-K1469 WeakPolarHBondContact O-CD 3.32Å; E1465-K1469 VanDerWaalsContact O-CG 3.27Å; E1465-K1469 WeakPolarHBondContact O-CG 3.37Å; E1465-K1469 PolarHBondContact O-N 2.98Å; E1465-K1469 WeakPolarHBondContact OE1-CE 3.4Å; E1465-K1469 IonicContact OE1-NZ 3.05Å; E1465-K1469 PolarHBondContact OE1-NZ 3.06Å; E1465-K1469 VanDerWaalsContact OE2-CE 3.3Å; E1465-K1469 WeakPolarHBondContact OE2-CE 3.2Å; E1465-K1469 IonicContact OE2-NZ 2.91Å; E1465-K1469 PolarHBondContact OE2-NZ 2.9Å; K1466-K1469 CarbonylContact O-C 3.55Å; K1466-K1469 PolarHBondContact O-N 3Å; Q1467-K1469 VanDerWaalsContact C-N 3.35Å; Q1467-K1469 PolarHBondContact O-N 3.04Å; K1469-R1473 VanDerWaalsContact O-CB 3.28Å; K1469-R1473 WeakPolarHBondContact O-CB 3.38Å; K1469-R1473 VanDerWaalsContact O-CG 3.3Å; K1469-R1473 WeakPolarHBondContact O-CG 3.27Å; K1469-R1473 PolarHBondContact O-N 3.14Å |
| 1470 | K | 71.4 | Confident | 55 | Low | 127.2 Ų | 127.2 | 113.3 Ų | 113.3 | 55% | 0.553 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -79.9 | -34 | 177.6 | -168.6 | 175.5 | -173.9 | 177.5 | 0 | 112 | K1466 Q1467 L1468 R1473 R1474 | K1466-K1470 VanDerWaalsContact O-CB 3.25Å; K1466-K1470 WeakPolarHBondContact O-CB 3.29Å; K1466-K1470 PolarHBondContact O-N 3.12Å; Q1467-K1470 CarbonylContact O-C 3.54Å; Q1467-K1470 WeakPolarHBondContact O-CA 3.41Å; Q1467-K1470 WeakPolarHBondContact O-CB 3.3Å; Q1467-K1470 PolarHBondContact O-N 3.22Å; Q1467-K1470 VanDerWaalsContact O-N 3.1Å; L1468-K1470 VanDerWaalsContact C-N 3.3Å; L1468-K1470 PolarHBondContact O-N 3.06Å; K1470-R1473 CarbonylContact O-C 3.57Å; K1470-R1473 PolarHBondContact O-N 3.49Å; K1470-R1474 WeakPolarHBondContact O-CB 3.35Å; K1470-R1474 WeakPolarHBondContact O-CD 3.36Å; K1470-R1474 VanDerWaalsContact O-CG 3.27Å; K1470-R1474 WeakPolarHBondContact O-CG 3.35Å; K1470-R1474 PolarHBondContact O-N 3.2Å; K1470-R1474 VanDerWaalsContact O-N 3.12Å |
| 1471 | E | 64.3 | Low | 55 | Low | 100.6 Ų | 100.6 | 111.2 Ų | 111.2 | 47% | 0.47 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71.3 | -47.1 | 169.4 | -89.2 | -126.3 | 127.8 | 0 | 0 | 111.4 | Q1467 L1468 R1473 R1474 L1475 | Q1467-E1471 WeakPolarHBondContact O-CB 3.33Å; Q1467-E1471 WeakPolarHBondContact O-CG 3.41Å; Q1467-E1471 PolarHBondContact O-N 2.93Å; L1468-E1471 PolarHBondContact O-N 3.25Å; E1471-R1473 VanDerWaalsContact C-N 3.31Å; E1471-R1473 PolarHBondContact O-N 3.23Å; E1471-R1473 VanDerWaalsContact O-N 3.17Å; E1471-R1474 CarbonylContact O-C 3.5Å; E1471-R1474 WeakPolarHBondContact O-CA 3.3Å; E1471-R1474 WeakPolarHBondContact O-CB 3.4Å; E1471-R1474 PolarHBondContact O-N 3.2Å; E1471-R1474 WeakPolarHBondContact OE1-CD 3.5Å; E1471-R1474 IonicContact OE1-CZ 3.1Å; E1471-R1474 IonicContact OE1-NE 3.9Å; E1471-R1474 IonicContact OE1-NH1 2.95Å; E1471-R1474 PolarHBondContact OE1-NH1 3.46Å; E1471-L1475 HydrophobicContact CG-CD1 4.28Å; E1471-L1475 WeakPolarHBondContact O-CB 3.21Å; E1471-L1475 WeakPolarHBondContact O-CG 3.26Å; E1471-L1475 PolarHBondContact O-N 3.33Å |
| 1472 | N | 57.6 | Low | 54.9 | Low | 102 Ų | 102 | 110.6 Ų | 110.6 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.5 | -33 | 173.6 | -81.5 | -48.7 | 0 | 0 | 0 | 112.5 | L1468 R1474 L1475 S1476 | L1468-N1472 VanDerWaalsContact O-CB 3.28Å; L1468-N1472 WeakPolarHBondContact O-CB 3.41Å; L1468-N1472 PolarHBondContact O-N 3.21Å; L1468-N1472 PolarHBondContact O-ND2 3.19Å; N1472-R1474 VanDerWaalsContact C-N 3.31Å; N1472-R1474 PolarHBondContact O-N 3.4Å; N1472-L1475 PolarHBondContact O-N 2.94Å; N1472-S1476 WeakPolarHBondContact O-CB 3.31Å; N1472-S1476 PolarHBondContact O-N 3.16Å; N1472-S1476 PolarHBondContact O-OG 3.12Å |
| 1473 | R | 55.7 | Low | 54.6 | Low | 191.6 Ų | 191.6 | 110.2 Ų | 110.2 | 72% | 0.723 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -72.9 | -21.3 | 169.8 | -79.2 | 177.1 | 170 | -171.1 | -2.7 | 114.2 | K1469 K1470 E1471 K1477 | K1469-R1473 VanDerWaalsContact O-CB 3.28Å; K1469-R1473 WeakPolarHBondContact O-CB 3.38Å; K1469-R1473 VanDerWaalsContact O-CG 3.3Å; K1469-R1473 WeakPolarHBondContact O-CG 3.27Å; K1469-R1473 PolarHBondContact O-N 3.14Å; K1470-R1473 CarbonylContact O-C 3.57Å; K1470-R1473 PolarHBondContact O-N 3.49Å; E1471-R1473 VanDerWaalsContact C-N 3.31Å; E1471-R1473 PolarHBondContact O-N 3.23Å; E1471-R1473 VanDerWaalsContact O-N 3.17Å; R1473-K1477 VanDerWaalsContact O-CB 3.26Å; R1473-K1477 WeakPolarHBondContact O-CB 3.45Å; R1473-K1477 WeakPolarHBondContact O-CG 3.34Å; R1473-K1477 PolarHBondContact O-N 2.97Å |
| 1474 | R | 59.2 | Low | 53.9 | Low | 163.4 Ų | 163.4 | 112.1 Ų | 112.1 | 62% | 0.617 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -80.4 | -45.8 | 170 | -80 | 168.8 | 165.4 | 179 | -5.9 | 111.2 | K1470 E1471 N1472 K1477 A1478 | K1470-R1474 WeakPolarHBondContact O-CB 3.35Å; K1470-R1474 WeakPolarHBondContact O-CD 3.36Å; K1470-R1474 VanDerWaalsContact O-CG 3.27Å; K1470-R1474 WeakPolarHBondContact O-CG 3.35Å; K1470-R1474 PolarHBondContact O-N 3.2Å; K1470-R1474 VanDerWaalsContact O-N 3.12Å; E1471-R1474 CarbonylContact O-C 3.5Å; E1471-R1474 WeakPolarHBondContact O-CA 3.3Å; E1471-R1474 WeakPolarHBondContact O-CB 3.4Å; E1471-R1474 PolarHBondContact O-N 3.2Å; E1471-R1474 WeakPolarHBondContact OE1-CD 3.5Å; E1471-R1474 IonicContact OE1-CZ 3.1Å; E1471-R1474 IonicContact OE1-NE 3.9Å; E1471-R1474 IonicContact OE1-NH1 2.95Å; E1471-R1474 PolarHBondContact OE1-NH1 3.46Å; N1472-R1474 VanDerWaalsContact C-N 3.31Å; N1472-R1474 PolarHBondContact O-N 3.4Å; R1474-K1477 CarbonylContact O-C 3.52Å; R1474-K1477 WeakPolarHBondContact O-CA 3.11Å; R1474-K1477 WeakPolarHBondContact O-CB 3.43Å; R1474-K1477 PolarHBondContact O-N 3.26Å; R1474-K1477 VanDerWaalsContact O-N 3.15Å; R1474-A1478 VanDerWaalsContact O-CB 3.23Å; R1474-A1478 WeakPolarHBondContact O-CB 3.33Å; R1474-A1478 PolarHBondContact O-N 3.02Å |
| 1475 | L | 55.4 | Low | 53.2 | Low | 105.2 Ų | 105.2 | 114.2 Ų | 114.2 | 55% | 0.551 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.1 | -44.6 | 176 | -68.5 | 168.6 | 0 | 0 | 0 | 111.4 | E1471 N1472 K1477 A1478 H1479 | E1471-L1475 HydrophobicContact CG-CD1 4.28Å; E1471-L1475 WeakPolarHBondContact O-CB 3.21Å; E1471-L1475 WeakPolarHBondContact O-CG 3.26Å; E1471-L1475 PolarHBondContact O-N 3.33Å; N1472-L1475 PolarHBondContact O-N 2.94Å; L1475-K1477 VanDerWaalsContact C-N 3.29Å; L1475-K1477 PolarHBondContact O-N 3.21Å; L1475-A1478 WeakPolarHBondContact O-CB 3.37Å; L1475-A1478 PolarHBondContact O-N 3.24Å; L1475-A1478 VanDerWaalsContact O-N 3.15Å; L1475-H1479 WeakPolarHBondContact O-CB 3.28Å; L1475-H1479 PolarHBondContact O-N 3.03Å |
| 1476 | S | 49.1 | Very low | 52.6 | Low | 67.6 Ų | 67.6 | 115.5 Ų | 115.5 | 47% | 0.473 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.3 | -26 | 174.4 | 140.1 | 0 | 0 | 0 | 0 | 113.5 | N1472 K1480 | N1472-S1476 WeakPolarHBondContact O-CB 3.31Å; N1472-S1476 PolarHBondContact O-N 3.16Å; N1472-S1476 PolarHBondContact O-OG 3.12Å; S1476-K1480 WeakPolarHBondContact O-CB 3.4Å; S1476-K1480 WeakPolarHBondContact O-CD 3.37Å; S1476-K1480 VanDerWaalsContact O-CG 3.25Å; S1476-K1480 WeakPolarHBondContact O-CG 3.21Å; S1476-K1480 PolarHBondContact O-N 3.21Å; S1476-K1480 VanDerWaalsContact O-N 3.08Å |
| 1477 | K | 51.1 | Low | 51.3 | Low | 158.6 Ų | 158.6 | 116.2 Ų | 116.2 | 69% | 0.69 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -79.2 | -37.7 | 169 | -80.9 | -168.2 | 171.5 | -166.5 | 0 | 112.5 | R1473 R1474 L1475 H1479 K1480 T1481 | R1473-K1477 VanDerWaalsContact O-CB 3.26Å; R1473-K1477 WeakPolarHBondContact O-CB 3.45Å; R1473-K1477 WeakPolarHBondContact O-CG 3.34Å; R1473-K1477 PolarHBondContact O-N 2.97Å; R1474-K1477 CarbonylContact O-C 3.52Å; R1474-K1477 WeakPolarHBondContact O-CA 3.11Å; R1474-K1477 WeakPolarHBondContact O-CB 3.43Å; R1474-K1477 PolarHBondContact O-N 3.26Å; R1474-K1477 VanDerWaalsContact O-N 3.15Å; L1475-K1477 VanDerWaalsContact C-N 3.29Å; L1475-K1477 PolarHBondContact O-N 3.21Å; K1477-H1479 VanDerWaalsContact C-N 3.3Å; K1477-H1479 PolarHBondContact O-N 2.95Å; K1477-K1480 CarbonylContact O-C 3.56Å; K1477-K1480 WeakPolarHBondContact O-CA 3.18Å; K1477-K1480 PolarHBondContact O-N 3.06Å; K1477-K1480 VanDerWaalsContact O-N 3.16Å; K1477-T1481 WeakPolarHBondContact O-CG2 3.43Å; K1477-T1481 PolarHBondContact O-N 2.96Å; K1477-T1481 PolarHBondContact O-OG1 3.1Å; K1477-T1481 VanDerWaalsContact O-OG1 3.11Å |
| 1478 | A | 48 | Very low | 50.1 | Low | 47.4 Ų | 47.4 | 118.3 Ų | 118.3 | 39% | 0.392 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.9 | -40.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1474 L1475 K1480 T1481 L1482 | R1474-A1478 VanDerWaalsContact O-CB 3.23Å; R1474-A1478 WeakPolarHBondContact O-CB 3.33Å; R1474-A1478 PolarHBondContact O-N 3.02Å; L1475-A1478 WeakPolarHBondContact O-CB 3.37Å; L1475-A1478 PolarHBondContact O-N 3.24Å; L1475-A1478 VanDerWaalsContact O-N 3.15Å; A1478-K1480 VanDerWaalsContact C-N 3.29Å; A1478-K1480 PolarHBondContact O-N 3.14Å; A1478-K1480 VanDerWaalsContact O-N 3.15Å; A1478-T1481 WeakPolarHBondContact CA-OG1 3.32Å; A1478-T1481 PolarHBondContact O-N 3.06Å; A1478-T1481 VanDerWaalsContact O-N 3.12Å; A1478-T1481 PolarHBondContact O-OG1 2.94Å; A1478-T1481 VanDerWaalsContact O-OG1 3.09Å; A1478-L1482 WeakPolarHBondContact O-CA 3.49Å; A1478-L1482 WeakPolarHBondContact O-CB 3.36Å; A1478-L1482 WeakPolarHBondContact O-CD1 3.26Å; A1478-L1482 WeakPolarHBondContact O-CG 3.23Å; A1478-L1482 PolarHBondContact O-N 2.87Å |
| 1479 | H | 45 | Very low | 49 | Very low | 116 Ų | 116 | 118.3 Ų | 118.3 | 54% | 0.537 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.9 | -34.1 | 174.9 | -140.6 | -77.4 | 0 | 0 | 0 | 111.8 | L1475 K1477 T1481 L1482 E1483 | L1475-H1479 WeakPolarHBondContact O-CB 3.28Å; L1475-H1479 PolarHBondContact O-N 3.03Å; K1477-H1479 VanDerWaalsContact C-N 3.3Å; K1477-H1479 PolarHBondContact O-N 2.95Å; H1479-T1481 PolarHBondContact O-N 3.12Å; H1479-L1482 PolarHBondContact O-N 3.12Å; H1479-L1482 VanDerWaalsContact O-N 3.13Å; H1479-E1483 VanDerWaalsContact CE1-CD 3.47Å; H1479-E1483 IonicContact CE1-OE1 3.22Å; H1479-E1483 PolarHBondContact CE1-OE1 3.27Å; H1479-E1483 VanDerWaalsContact CE1-OE1 3.29Å; H1479-E1483 IonicContact CE1-OE2 3.56Å; H1479-E1483 PolarHBondContact CE1-OE2 3.37Å; H1479-E1483 IonicContact CG-OE2 2.76Å; H1479-E1483 VanDerWaalsContact ND1-CD 3.32Å; H1479-E1483 IonicContact ND1-OE1 2.72Å; H1479-E1483 PolarHBondContact ND1-OE1 3.12Å; H1479-E1483 IonicContact ND1-OE2 3.19Å; H1479-E1483 PolarHBondContact ND1-OE2 2.89Å; H1479-E1483 WeakPolarHBondContact O-CB 3.33Å; H1479-E1483 WeakPolarHBondContact O-CG 3.41Å; H1479-E1483 PolarHBondContact O-N 3.13Å |
| 1480 | K | 44.5 | Very low | 47.8 | Very low | 145.6 Ų | 145.6 | 119.3 Ų | 119.3 | 63% | 0.633 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -81 | -6 | 173.8 | -74.4 | -167.9 | 172.8 | -169.6 | 0 | 114.4 | E1332 S1476 K1477 A1478 F1484 | E1332-K1480 IonicContact OE1-NZ 3.93Å; E1332-K1480 PolarHBondContact OE1-NZ 3.42Å; S1476-K1480 WeakPolarHBondContact O-CB 3.4Å; S1476-K1480 WeakPolarHBondContact O-CD 3.37Å; S1476-K1480 VanDerWaalsContact O-CG 3.25Å; S1476-K1480 WeakPolarHBondContact O-CG 3.21Å; S1476-K1480 PolarHBondContact O-N 3.21Å; S1476-K1480 VanDerWaalsContact O-N 3.08Å; K1477-K1480 CarbonylContact O-C 3.56Å; K1477-K1480 WeakPolarHBondContact O-CA 3.18Å; K1477-K1480 PolarHBondContact O-N 3.06Å; K1477-K1480 VanDerWaalsContact O-N 3.16Å; A1478-K1480 VanDerWaalsContact C-N 3.29Å; A1478-K1480 PolarHBondContact O-N 3.14Å; A1478-K1480 VanDerWaalsContact O-N 3.15Å; K1480-F1484 VanDerWaalsContact O-CB 3.31Å; K1480-F1484 WeakPolarHBondContact O-CB 3.43Å; K1480-F1484 VanDerWaalsContact O-CD2 3.27Å; K1480-F1484 WeakPolarHBondContact O-CD2 3.39Å; K1480-F1484 PolarHBondContact O-N 3.05Å |
| 1481 | T | 44.3 | Very low | 46.1 | Very low | 86.6 Ų | 86.6 | 120.8 Ų | 120.8 | 53% | 0.531 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -102.6 | -15.5 | 171.6 | -9.5 | 0 | 0 | 0 | 0 | 111.4 | K1477 A1478 H1479 E1483 F1484 E1485 | K1477-T1481 WeakPolarHBondContact O-CG2 3.43Å; K1477-T1481 PolarHBondContact O-N 2.96Å; K1477-T1481 PolarHBondContact O-OG1 3.1Å; K1477-T1481 VanDerWaalsContact O-OG1 3.11Å; A1478-T1481 WeakPolarHBondContact CA-OG1 3.32Å; A1478-T1481 PolarHBondContact O-N 3.06Å; A1478-T1481 VanDerWaalsContact O-N 3.12Å; A1478-T1481 PolarHBondContact O-OG1 2.94Å; A1478-T1481 VanDerWaalsContact O-OG1 3.09Å; H1479-T1481 PolarHBondContact O-N 3.12Å; T1481-E1483 VanDerWaalsContact C-N 3.29Å; T1481-E1483 PolarHBondContact O-N 2.94Å; T1481-F1484 PolarHBondContact O-N 3.36Å; T1481-F1484 VanDerWaalsContact O-N 3.12Å; T1481-E1485 HydrophobicContact CG2-CG 4.32Å; T1481-E1485 WeakPolarHBondContact O-CA 3.41Å; T1481-E1485 WeakPolarHBondContact O-CB 3.47Å; T1481-E1485 VanDerWaalsContact O-CD 3.31Å; T1481-E1485 WeakPolarHBondContact O-CG 3.49Å; T1481-E1485 PolarHBondContact O-N 3.02Å; T1481-E1485 VanDerWaalsContact O-OE2 3.14Å |
| 1482 | L | 41.8 | Very low | 44.7 | Very low | 116.6 Ų | 116.6 | 123.8 Ų | 123.8 | 61% | 0.61 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -94.3 | -15.1 | 174.3 | -80.2 | 165.3 | 0 | 0 | 0 | 113.2 | A1478 H1479 F1484 N1486 | A1478-L1482 WeakPolarHBondContact O-CA 3.49Å; A1478-L1482 WeakPolarHBondContact O-CB 3.36Å; A1478-L1482 WeakPolarHBondContact O-CD1 3.26Å; A1478-L1482 WeakPolarHBondContact O-CG 3.23Å; A1478-L1482 PolarHBondContact O-N 2.87Å; H1479-L1482 PolarHBondContact O-N 3.12Å; H1479-L1482 VanDerWaalsContact O-N 3.13Å; L1482-F1484 PolarHBondContact O-N 3.2Å; L1482-N1486 WeakPolarHBondContact O-CB 3.18Å; L1482-N1486 PolarHBondContact O-N 2.97Å; L1482-N1486 PolarHBondContact O-ND2 3.18Å; L1482-N1486 VanDerWaalsContact O-ND2 3.16Å |
| 1483 | E | 40.7 | Very low | 43.7 | Very low | 92.2 Ų | 92.2 | 127.4 Ų | 127.4 | 43% | 0.431 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -93.1 | -2.9 | 175.5 | -72.4 | 175.7 | 134.2 | 0 | 0 | 112.6 | H1479 T1481 L1487 N1576 L1577 Q1578 | H1479-E1483 VanDerWaalsContact CE1-CD 3.47Å; H1479-E1483 IonicContact CE1-OE1 3.22Å; H1479-E1483 PolarHBondContact CE1-OE1 3.27Å; H1479-E1483 VanDerWaalsContact CE1-OE1 3.29Å; H1479-E1483 IonicContact CE1-OE2 3.56Å; H1479-E1483 PolarHBondContact CE1-OE2 3.37Å; H1479-E1483 IonicContact CG-OE2 2.76Å; H1479-E1483 VanDerWaalsContact ND1-CD 3.32Å; H1479-E1483 IonicContact ND1-OE1 2.72Å; H1479-E1483 PolarHBondContact ND1-OE1 3.12Å; H1479-E1483 IonicContact ND1-OE2 3.19Å; H1479-E1483 PolarHBondContact ND1-OE2 2.89Å; H1479-E1483 WeakPolarHBondContact O-CB 3.33Å; H1479-E1483 WeakPolarHBondContact O-CG 3.41Å; H1479-E1483 PolarHBondContact O-N 3.13Å; T1481-E1483 VanDerWaalsContact C-N 3.29Å; T1481-E1483 PolarHBondContact O-N 2.94Å; E1483-L1487 WeakPolarHBondContact O-CB 3.15Å; E1483-L1487 WeakPolarHBondContact O-CD1 3.36Å; E1483-L1487 WeakPolarHBondContact O-CD2 3.42Å; E1483-L1487 PolarHBondContact O-N 3.31Å; E1483-N1576 WeakPolarHBondContact CG-ND2 3.43Å; E1483-N1576 WeakPolarHBondContact OE1-CA 3.5Å; E1483-N1576 WeakPolarHBondContact OE1-CB 3.25Å; E1483-N1576 VanDerWaalsContact OE1-CG 3.24Å; E1483-L1577 HydrophobicContact CB-CD2 3.87Å; E1483-L1577 HydrophobicContact CG-CD2 4.16Å; E1483-L1577 WeakPolarHBondContact O-CD2 3.32Å; E1483-L1577 PolarHBondContact OE1-N 2.89Å; E1483-Q1578 PolarHBondContact O-NE2 2.93Å |
| 1484 | F | 39.4 | Very low | 42.7 | Very low | 137.4 Ų | 137.4 | 128.6 Ų | 128.6 | 60% | 0.603 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -106 | -20.5 | 174.7 | -95.7 | -99.8 | 0 | 0 | 0 | 112.8 | T824 F826 K1480 T1481 L1482 N1486 L1487 E1488 A1579 D1581 | T824-F1484 WeakPolarHBondContact CG2-O 3.1Å; F826-F1484 HydrophobicContact CB-CE1 3.59Å; F826-F1484 HydrophobicContact CB-CZ 4.12Å; F826-F1484 HydrophobicContact CD1-CE1 4.07Å; F826-F1484 AromaticContact CD1-CZ 3.71Å; F826-F1484 HydrophobicContact CD1-CZ 3.71Å; F826-F1484 HydrophobicContact CD2-CD1 4.26Å; F826-F1484 AromaticContact CD2-CE1 3.44Å; F826-F1484 HydrophobicContact CD2-CE1 3.44Å; F826-F1484 VanDerWaalsContact CD2-CE1 3.44Å; F826-F1484 AromaticContact CD2-CE2 3.95Å; F826-F1484 HydrophobicContact CD2-CE2 3.95Å; F826-F1484 AromaticContact CD2-CZ 3.25Å; F826-F1484 HydrophobicContact CD2-CZ 3.25Å; F826-F1484 AromaticContact CE1-CZ 3.81Å; F826-F1484 HydrophobicContact CE1-CZ 3.81Å; F826-F1484 HydrophobicContact CE2-CE1 4.05Å; F826-F1484 AromaticContact CE2-CE2 3.69Å; F826-F1484 HydrophobicContact CE2-CE2 3.69Å; F826-F1484 AromaticContact CE2-CZ 3.36Å; F826-F1484 HydrophobicContact CE2-CZ 3.36Å; F826-F1484 AromaticContact CG-CE1 3.44Å; F826-F1484 HydrophobicContact CG-CE1 3.44Å; F826-F1484 VanDerWaalsContact CG-CE1 3.44Å; F826-F1484 AromaticContact CG-CZ 3.43Å; F826-F1484 HydrophobicContact CG-CZ 3.43Å; F826-F1484 VanDerWaalsContact CG-CZ 3.43Å; F826-F1484 HydrophobicContact CZ-CE2 4.04Å; F826-F1484 AromaticContact CZ-CZ 3.64Å; F826-F1484 HydrophobicContact CZ-CZ 3.64Å; K1480-F1484 VanDerWaalsContact O-CB 3.31Å; K1480-F1484 WeakPolarHBondContact O-CB 3.43Å; K1480-F1484 VanDerWaalsContact O-CD2 3.27Å; K1480-F1484 WeakPolarHBondContact O-CD2 3.39Å; K1480-F1484 PolarHBondContact O-N 3.05Å; T1481-F1484 PolarHBondContact O-N 3.36Å; T1481-F1484 VanDerWaalsContact O-N 3.12Å; L1482-F1484 PolarHBondContact O-N 3.2Å; F1484-N1486 PolarHBondContact O-N 3.06Å; F1484-L1487 WeakPolarHBondContact O-CB 3.48Å; F1484-L1487 PolarHBondContact O-N 3.26Å; F1484-E1488 WeakPolarHBondContact O-CA 3.45Å; F1484-E1488 WeakPolarHBondContact O-CB 3.31Å; F1484-E1488 PolarHBondContact O-N 3.27Å; F1484-A1579 HydrophobicContact CE1-CB 4.41Å; F1484-A1579 HydrophobicContact CE2-CB 4.17Å; F1484-A1579 HydrophobicContact CZ-CB 3.63Å; F1484-D1581 WeakPolarHBondContact CZ-OD2 3.46Å |
| 1485 | E | 39.6 | Very low | 41.5 | Very low | 138.4 Ų | 138.4 | 127.6 Ų | 127.6 | 65% | 0.647 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -93.7 | 7.8 | 176.8 | -69 | 179.5 | 152.9 | 0 | 0 | 111.2 | T1481 L1487 E1488 T1489 | T1481-E1485 HydrophobicContact CG2-CG 4.32Å; T1481-E1485 WeakPolarHBondContact O-CA 3.41Å; T1481-E1485 WeakPolarHBondContact O-CB 3.47Å; T1481-E1485 VanDerWaalsContact O-CD 3.31Å; T1481-E1485 WeakPolarHBondContact O-CG 3.49Å; T1481-E1485 PolarHBondContact O-N 3.02Å; T1481-E1485 VanDerWaalsContact O-OE2 3.14Å; E1485-L1487 PolarHBondContact O-N 3.36Å; E1485-L1487 VanDerWaalsContact O-N 3.11Å; E1485-E1488 PolarHBondContact O-N 3.39Å; E1485-T1489 WeakPolarHBondContact O-CB 3.37Å; E1485-T1489 PolarHBondContact O-N 3.19Å; E1485-T1489 PolarHBondContact O-OG1 3.13Å |
| 1486 | N | 41.4 | Very low | 40.5 | Very low | 121.6 Ų | 121.6 | 129.5 Ų | 129.5 | 65% | 0.65 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -114.3 | -10 | 166.3 | -84.6 | -67.6 | 0 | 0 | 0 | 114 | N823 L1482 F1484 I1490 | N823-N1486 PolarHBondContact ND2-O 3.33Å; N823-N1486 VanDerWaalsContact ND2-O 3.14Å; L1482-N1486 WeakPolarHBondContact O-CB 3.18Å; L1482-N1486 PolarHBondContact O-N 2.97Å; L1482-N1486 PolarHBondContact O-ND2 3.18Å; L1482-N1486 VanDerWaalsContact O-ND2 3.16Å; F1484-N1486 PolarHBondContact O-N 3.06Å; N1486-I1490 VanDerWaalsContact O-CB 3.24Å; N1486-I1490 WeakPolarHBondContact O-CB 3.43Å; N1486-I1490 WeakPolarHBondContact O-CD1 3.3Å; N1486-I1490 WeakPolarHBondContact O-CG1 3.16Å; N1486-I1490 PolarHBondContact O-N 2.9Å |
| 1487 | L | 38.2 | Very low | 39.9 | Very low | 115.6 Ų | 115.6 | 134.5 Ų | 134.5 | 61% | 0.605 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -93 | -20.9 | 179.7 | -103.6 | 126.9 | 0 | 0 | 0 | 113 | N823 T824 E1483 F1484 E1485 T1489 I1490 E1491 | N823-L1487 CarbonylContact C-O 3.44Å; N823-L1487 HydrophobicContact CB-CB 3.92Å; N823-L1487 HydrophobicContact CB-CD1 4.38Å; N823-L1487 HydrophobicContact CB-CG 3.63Å; N823-L1487 WeakPolarHBondContact CB-O 3.45Å; T824-L1487 HydrophobicContact CG2-CB 3.43Å; T824-L1487 VanDerWaalsContact CG2-CB 3.43Å; T824-L1487 PolarHBondContact OG1-O 3.32Å; E1483-L1487 WeakPolarHBondContact O-CB 3.15Å; E1483-L1487 WeakPolarHBondContact O-CD1 3.36Å; E1483-L1487 WeakPolarHBondContact O-CD2 3.42Å; E1483-L1487 PolarHBondContact O-N 3.31Å; F1484-L1487 WeakPolarHBondContact O-CB 3.48Å; F1484-L1487 PolarHBondContact O-N 3.26Å; E1485-L1487 PolarHBondContact O-N 3.36Å; E1485-L1487 VanDerWaalsContact O-N 3.11Å; L1487-T1489 PolarHBondContact O-N 3.03Å; L1487-I1490 PolarHBondContact O-N 3.03Å; L1487-E1491 WeakPolarHBondContact O-CB 3.43Å; L1487-E1491 WeakPolarHBondContact O-CG 3.31Å; L1487-E1491 PolarHBondContact O-N 3.24Å |
| 1488 | E | 37.6 | Very low | 39.1 | Very low | 148.4 Ų | 148.4 | 133.9 Ų | 133.9 | 69% | 0.693 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -88.7 | 2.6 | -179.3 | -122.6 | 174.7 | 167.6 | 0 | 0 | 113.3 | T824 L825 F1484 E1485 Q1492 | T824-E1488 HydrophobicContact CG2-CB 3.83Å; T824-E1488 HydrophobicContact CG2-CG 4.01Å; T824-E1488 WeakPolarHBondContact OG1-CA 3.38Å; T824-E1488 PolarHBondContact OG1-N 2.87Å; L825-E1488 HydrophobicContact CD2-CG 3.94Å; F1484-E1488 WeakPolarHBondContact O-CA 3.45Å; F1484-E1488 WeakPolarHBondContact O-CB 3.31Å; F1484-E1488 PolarHBondContact O-N 3.27Å; E1485-E1488 PolarHBondContact O-N 3.39Å; E1488-Q1492 VanDerWaalsContact CG-NE2 3.32Å; E1488-Q1492 WeakPolarHBondContact O-CB 3.4Å; E1488-Q1492 VanDerWaalsContact O-CD 3.25Å; E1488-Q1492 WeakPolarHBondContact O-CG 3.21Å; E1488-Q1492 PolarHBondContact O-N 3.04Å |
| 1489 | T | 39.5 | Very low | 38.4 | Very low | 96.8 Ų | 96.8 | 138.3 Ų | 138.3 | 59% | 0.594 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | -6.3 | -177.8 | -40 | 0 | 0 | 0 | 0 | 113.9 | E1485 L1487 E1491 Q1492 E1493 | E1485-T1489 WeakPolarHBondContact O-CB 3.37Å; E1485-T1489 PolarHBondContact O-N 3.19Å; E1485-T1489 PolarHBondContact O-OG1 3.13Å; L1487-T1489 PolarHBondContact O-N 3.03Å; T1489-E1491 PolarHBondContact O-N 2.82Å; T1489-Q1492 PolarHBondContact O-N 2.67Å; T1489-E1493 PolarHBondContact O-N 3.14Å; T1489-E1493 VanDerWaalsContact O-N 3.13Å |
| 1490 | I | 40.3 | Very low | 37.9 | Very low | 126.2 Ų | 126.2 | 143.3 Ų | 143.3 | 65% | 0.647 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -104.6 | -9 | 178 | -64.2 | 165.1 | 0 | 0 | 0 | 112.2 | N822 N823 N1486 L1487 Q1492 | N822-I1490 HydrophobicContact CB-CB 4.12Å; N822-I1490 HydrophobicContact CB-CD1 4.37Å; N822-I1490 HydrophobicContact CB-CG2 3.61Å; N823-I1490 HydrophobicContact CB-CB 4.46Å; N1486-I1490 VanDerWaalsContact O-CB 3.24Å; N1486-I1490 WeakPolarHBondContact O-CB 3.43Å; N1486-I1490 WeakPolarHBondContact O-CD1 3.3Å; N1486-I1490 WeakPolarHBondContact O-CG1 3.16Å; N1486-I1490 PolarHBondContact O-N 2.9Å; L1487-I1490 PolarHBondContact O-N 3.03Å; I1490-Q1492 VanDerWaalsContact C-N 3.31Å; I1490-Q1492 PolarHBondContact O-N 3.01Å |
| 1491 | E | 36.3 | Very low | 37.4 | Very low | 159.8 Ų | 159.8 | 141.2 Ų | 141.2 | 75% | 0.747 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 5.6 | 170.7 | -75.5 | -163.6 | 152.2 | 0 | 0 | 113.8 | L1487 T1489 | L1487-E1491 WeakPolarHBondContact O-CB 3.43Å; L1487-E1491 WeakPolarHBondContact O-CG 3.31Å; L1487-E1491 PolarHBondContact O-N 3.24Å; T1489-E1491 PolarHBondContact O-N 2.82Å |
| 1492 | Q | 34.4 | Very low | 36.8 | Very low | 162.2 Ų | 162.2 | 143 Ų | 143 | 76% | 0.758 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | -0.3 | 178.7 | -69.1 | -170.5 | 4.4 | 0 | 0 | 114.6 | E1488 T1489 I1490 Y1494 | E1488-Q1492 VanDerWaalsContact CG-NE2 3.32Å; E1488-Q1492 WeakPolarHBondContact O-CB 3.4Å; E1488-Q1492 VanDerWaalsContact O-CD 3.25Å; E1488-Q1492 WeakPolarHBondContact O-CG 3.21Å; E1488-Q1492 PolarHBondContact O-N 3.04Å; T1489-Q1492 PolarHBondContact O-N 2.67Å; I1490-Q1492 VanDerWaalsContact C-N 3.31Å; I1490-Q1492 PolarHBondContact O-N 3.01Å; Q1492-Y1494 PolarHBondContact O-N 3.08Å |
| 1493 | E | 35.5 | Very low | 36.4 | Very low | 178 Ų | 178 | 147.6 Ų | 147.6 | 83% | 0.832 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -104.8 | 23.2 | 178.7 | -81.5 | -166.4 | 155.6 | 0 | 0 | 114.7 | T1489 | T1489-E1493 PolarHBondContact O-N 3.14Å; T1489-E1493 VanDerWaalsContact O-N 3.13Å |
| 1494 | Y | 34.9 | Very low | 35.9 | Very low | 217.4 Ų | 217.4 | 150 Ų | 150 | 85% | 0.853 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.9 | 27.1 | 172.6 | -119.6 | -84.5 | 0 | 0 | 0 | 115.2 | Q1492 | Q1492-Y1494 PolarHBondContact O-N 3.08Š|
| 1495 | N | 33.4 | Very low | 35.7 | Very low | 143 Ų | 143 | 151.1 Ų | 151.1 | 77% | 0.765 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -132.1 | 116.1 | 170.9 | -93.1 | -45.3 | 0 | 0 | 0 | 111.3 | ||
| 1496 | D | 34.7 | Very low | 35.2 | Very low | 145 Ų | 145 | 149.5 Ų | 149.5 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | trans | 147.4 | 113.8 | 147.7 | -92.9 | -18.1 | 0 | 0 | 0 | 115.9 | N1498 | D1496-N1498 PolarHBondContact O-N 3.18Š| ||
| 1497 | Q | 36.2 | Very low | 34.8 | Very low | 172.4 Ų | 172.4 | 149.7 Ų | 149.7 | 81% | 0.806 | 73% | 0.727 | S | S | * | * | trans | 123 | 109.9 | 147.6 | -82.9 | 164.7 | 56.3 | 0 | 0 | 114.3 | ||||
| 1498 | N | 35 | Very low | 34.6 | Very low | 146.2 Ų | 146.2 | 151.7 Ų | 151.7 | 78% | 0.782 | 73% | 0.733 | S | S | * | * | 103.3 | 115.9 | 120.3 | -66.1 | -52.3 | 0 | 0 | 0 | 114.9 | D1496 | D1496-N1498 PolarHBondContact O-N 3.18Š| |||
| 1499 | D | 34.4 | Very low | 34.3 | Very low | 139.2 Ų | 139.2 | 150.5 Ų | 150.5 | 74% | 0.744 | 74% | 0.736 | S | S | * | * | 112.1 | 140 | 106.2 | -108.1 | -24.2 | 0 | 0 | 0 | 113 | |||||
| 1500 | R | 33.3 | Very low | 33.9 | Very low | 220.6 Ų | 220.6 | 150.6 Ų | 150.6 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | trans | -147.8 | 177 | 136.7 | -92.7 | -177.9 | -169.2 | -130 | -3 | 112.1 | ||||
| 1501 | P | 35.3 | Very low | 33.5 | Very low | 100.6 Ų | 100.6 | 152.1 Ų | 152.1 | 65% | 0.653 | 75% | 0.745 | S | S | * | * | -139.4 | 171 | -56.2 | 37 | -15.1 | 0 | 0 | 0 | 117.6 | |||||
| 1502 | I | 30.8 | Very low | 33.4 | Very low | 126 Ų | 126 | 150.6 Ų | 150.6 | 65% | 0.646 | 74% | 0.742 | S | S | * | * | trans | 86.8 | 135.7 | 132.7 | -56.2 | 166.9 | 0 | 0 | 0 | 117 | E1504 | I1502-E1504 WeakPolarHBondContact CG2-OE2 3.45Š| ||
| 1503 | W | 32.8 | Very low | 33.3 | Very low | 212 Ų | 212 | 150.7 Ų | 150.7 | 80% | 0.803 | 74% | 0.742 | S | S | * | * | trans | 75 | 126.6 | 142.8 | -58.2 | 87.2 | 0 | 0 | 0 | 118.5 | ||||
| 1504 | E | 30.1 | Very low | 33.2 | Very low | 143.4 Ų | 143.4 | 147.2 Ų | 147.2 | 67% | 0.67 | 73% | 0.733 | S | S | * | * | 92 | 140 | 92.8 | -76.2 | 168.7 | -174.3 | 0 | 0 | 117.7 | I1502 | I1502-E1504 WeakPolarHBondContact CG2-OE2 3.45Š| |||
| 1505 | H | 35 | Very low | 32.9 | Very low | 159.8 Ų | 159.8 | 143.8 Ų | 143.8 | 74% | 0.74 | 73% | 0.73 | S | S | * | * | 149.6 | 128.8 | 114.5 | -98.3 | -48.6 | 0 | 0 | 0 | 116.7 | |||||
| 1506 | T | 31.1 | Very low | 32.9 | Very low | 105.4 Ų | 105.4 | 141 Ų | 141 | 65% | 0.647 | 73% | 0.727 | S | S | * | * | trans | 83.7 | 146.1 | 145 | 2.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 1507 | N | 31.6 | Very low | 32.9 | Very low | 125.4 Ų | 125.4 | 143.1 Ų | 143.1 | 67% | 0.671 | 73% | 0.729 | S | S | * | * | trans | 99.6 | 138.2 | 131.9 | -79.9 | -24.3 | 0 | 0 | 0 | 120.5 | ||||
| 1508 | Q | 33.4 | Very low | 32.7 | Very low | 158.6 Ų | 158.6 | 141.6 Ų | 141.6 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | 85.8 | 137.9 | 122.9 | -81.7 | 167.9 | 13.2 | 0 | 0 | 118.8 | |||||
| 1509 | T | 31.7 | Very low | 32.5 | Very low | 122.8 Ų | 122.8 | 140.4 Ų | 140.4 | 75% | 0.753 | 72% | 0.72 | S | S | * | * | 107 | 147.5 | 115.2 | 31.2 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1510 | S | 32 | Very low | 32.4 | Very low | 97.8 Ų | 97.8 | 139.9 Ų | 139.9 | 68% | 0.684 | 72% | 0.716 | S | S | * | * | 112.1 | 150.5 | 111.8 | 27.1 | 0 | 0 | 0 | 0 | 115 | |||||
| 1511 | Q | 32.4 | Very low | 32.1 | Very low | 159 Ų | 159 | 137.9 Ų | 137.9 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | 68.6 | 141.1 | 119.6 | -83.6 | -179 | -91.8 | 0 | 0 | 116.6 | |||||
| 1512 | D | 33.2 | Very low | 31.7 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 68% | 0.684 | 72% | 0.715 | S | S | * | * | 110.7 | 147.3 | 98.7 | -68.3 | -20.7 | 0 | 0 | 0 | 116.2 | |||||
| 1513 | E | 32.6 | Very low | 31.6 | Very low | 163.6 Ų | 163.6 | 145.9 Ų | 145.9 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | 113.2 | 154.1 | 64.9 | -100.8 | -150.3 | 159.1 | 0 | 0 | 115.1 | |||||
| 1514 | T | 32.6 | Very low | 31.3 | Very low | 104.4 Ų | 104.4 | 140.5 Ų | 140.5 | 64% | 0.64 | 72% | 0.719 | S | S | * | * | trans | -160.1 | 166.5 | 167.7 | 60.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1515 | N | 30.4 | Very low | 31.2 | Very low | 147.4 Ų | 147.4 | 143.7 Ų | 143.7 | 79% | 0.788 | 73% | 0.725 | S | S | * | * | trans | 86.2 | 152.3 | 133.3 | -92 | -45.1 | 0 | 0 | 0 | 118.3 | ||||
| 1516 | A | 33.3 | Very low | 30.9 | Very low | 84 Ų | 84 | 146.7 Ų | 146.7 | 69% | 0.694 | 73% | 0.73 | S | S | * | * | 119.4 | 145.6 | 114.4 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 1517 | K | 33.9 | Very low | 30.8 | Very low | 188.4 Ų | 188.4 | 146.6 Ų | 146.6 | 82% | 0.819 | 73% | 0.733 | S | S | * | * | -99 | 150.5 | 73.1 | -73.5 | 169.1 | -178.2 | 171 | 0 | 113.2 | |||||
| 1518 | N | 30.8 | Very low | 30.8 | Very low | 141.2 Ų | 141.2 | 145.1 Ų | 145.1 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | trans | 57.1 | 143.9 | 148.1 | -73.3 | -10.3 | 0 | 0 | 0 | 116.4 | ||||
| 1519 | N | 30.9 | Very low | 30.7 | Very low | 120.4 Ų | 120.4 | 145 Ų | 145 | 64% | 0.644 | 74% | 0.737 | S | S | * | * | 160.5 | 148.6 | 83.1 | -107.5 | -10.6 | 0 | 0 | 0 | 114.3 | Q838 | Q838-N1519 WeakPolarHBondContact CB-OD1 3.45Å; Q838-N1519 WeakPolarHBondContact CG-OD1 3.49Å; Q838-N1519 PolarHBondContact OE1-OD1 2.97Å | |||
| 1520 | I | 32.2 | Very low | 30.7 | Very low | 129.6 Ų | 129.6 | 142.5 Ų | 142.5 | 67% | 0.665 | 74% | 0.736 | S | S | * | * | trans | 85.9 | 120.5 | 131 | -62.6 | 159.8 | 0 | 0 | 0 | 115.2 | R1522 | I1520-R1522 HydrophobicContact CG2-CG 4.09Š| ||
| 1521 | Y | 27.8 | Very low | 30.9 | Very low | 178.4 Ų | 178.4 | 147.2 Ų | 147.2 | 70% | 0.7 | 74% | 0.744 | S | S | * | * | trans | 56.7 | 115.5 | 137.8 | -89.3 | -110.9 | 0 | 0 | 0 | 118.2 | K1523 | Y1521-K1523 PolarHBondContact O-N 2.81Š| ||
| 1522 | R | 28 | Very low | 30.9 | Very low | 201.8 Ų | 201.8 | 146.3 Ų | 146.3 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | 65.6 | 113.7 | 99.2 | -73.2 | -179.5 | 174.7 | 170.1 | -1.9 | 115.4 | I1520 | I1520-R1522 HydrophobicContact CG2-CG 4.09Š| |||
| 1523 | K | 27.3 | Very low | 30.9 | Very low | 191.6 Ų | 191.6 | 146.6 Ų | 146.6 | 83% | 0.833 | 74% | 0.743 | S | S | * | * | trans | -163.8 | 135.3 | 130.4 | -81.4 | 164.1 | 178.8 | -179.4 | 0 | 112.4 | D1348 Y1521 | D1348-K1523 IonicContact OD2-NZ 3.23Å; D1348-K1523 PolarHBondContact OD2-NZ 3.35Å; Y1521-K1523 PolarHBondContact O-N 2.81Å | ||
| 1524 | S | 28 | Very low | 30.9 | Very low | 100.4 Ų | 100.4 | 146.8 Ų | 146.8 | 70% | 0.702 | 74% | 0.744 | S | S | * | * | 159.9 | 144.2 | 79.9 | -164.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1525 | R | 26.7 | Very low | 30.9 | Very low | 209 Ų | 209 | 146.2 Ų | 146.2 | 79% | 0.789 | 74% | 0.744 | S | S | * | * | trans | 77.9 | 149.1 | 153.4 | -78.2 | 163.8 | -177.7 | -169.6 | -2.5 | 116 | ||||
| 1526 | R | 28.9 | Very low | 31.1 | Very low | 223 Ų | 223 | 146 Ų | 146 | 84% | 0.842 | 74% | 0.742 | S | S | * | * | 74.3 | 146.8 | 124.7 | -77.9 | 176.3 | 179.8 | -176 | -2.7 | 116 | |||||
| 1527 | S | 28.1 | Very low | 31 | Very low | 103.6 Ų | 103.6 | 149.4 Ų | 149.4 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | trans | 65.7 | 139 | 131.3 | -150.3 | 0 | 0 | 0 | 0 | 116.4 | D1529 | S1527-D1529 WeakPolarHBondContact CB-OD2 3.38Å; S1527-D1529 PolarHBondContact OG-OD2 3.42Å | ||
| 1528 | S | 31.7 | Very low | 30.8 | Very low | 94.8 Ų | 94.8 | 146.9 Ų | 146.9 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | 168.2 | 142.6 | 64.2 | 34.5 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1529 | D | 31.2 | Very low | 30.7 | Very low | 155.2 Ų | 155.2 | 145.8 Ų | 145.8 | 83% | 0.83 | 74% | 0.737 | S | S | * | * | 58.2 | 114.4 | 117 | -56.5 | -41.1 | 0 | 0 | 0 | 118.4 | S1527 | S1527-D1529 WeakPolarHBondContact CB-OD2 3.38Å; S1527-D1529 PolarHBondContact OG-OD2 3.42Å | |||
| 1530 | G | 32.8 | Very low | 30.8 | Very low | 70.8 Ų | 70.8 | 145 Ų | 145 | 73% | 0.73 | 74% | 0.741 | S | S | * | * | 132.1 | 98.6 | 121.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1531 | K | 36.2 | Very low | 30.7 | Very low | 197.2 Ų | 197.2 | 144.2 Ų | 144.2 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | trans | 30.3 | 152.2 | 154 | -67.2 | 175.4 | 177.6 | 173.6 | 0 | 114 | ||||
| 1532 | I | 33.2 | Very low | 31 | Very low | 139.8 Ų | 139.8 | 142.7 Ų | 142.7 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | cis | 176.7 | 135.9 | 31.8 | -109.4 | 163.2 | 0 | 0 | 0 | 110 | ||||
| 1533 | I | 32.6 | Very low | 31.2 | Very low | 133.6 Ų | 133.6 | 137.7 Ų | 137.7 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | 99.2 | 138.2 | 120.6 | -80.9 | 173.1 | 0 | 0 | 0 | 113.8 | |||||
| 1534 | Q | 32.6 | Very low | 31.5 | Very low | 168.8 Ų | 168.8 | 135.3 Ų | 135.3 | 79% | 0.789 | 74% | 0.739 | S | S | * | * | 106.7 | 144.4 | 127.9 | -92.8 | 162.6 | -18.7 | 0 | 0 | 114.7 | |||||
| 1535 | S | 32.1 | Very low | 31.7 | Very low | 91.6 Ų | 91.6 | 136.9 Ų | 136.9 | 64% | 0.641 | 74% | 0.739 | S | S | * | * | 103.9 | 142.3 | 57.8 | 61.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1536 | L | 34.5 | Very low | 32.1 | Very low | 142.8 Ų | 142.8 | 133.4 Ų | 133.4 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | 179.4 | 140.6 | 79.6 | -67.5 | 163.2 | 0 | 0 | 0 | 115.1 | |||||
| 1537 | Q | 30.8 | Very low | 32.2 | Very low | 155.8 Ų | 155.8 | 131.5 Ų | 131.5 | 73% | 0.728 | 74% | 0.735 | S | S | * | * | 80.4 | 147.6 | 79.9 | -107.8 | -177.5 | -29.7 | 0 | 0 | 114.6 | |||||
| 1538 | L | 31.4 | Very low | 32.4 | Very low | 134.6 Ų | 134.6 | 133.7 Ų | 133.7 | 71% | 0.705 | 74% | 0.738 | S | S | * | * | cis | 162.9 | 143.5 | 24.9 | -78.6 | 159.5 | 0 | 0 | 0 | 112.2 | ||||
| 1539 | T | 28.3 | Very low | 32.4 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 73% | 0.73 | 74% | 0.741 | S | S | * | * | 60.5 | 130.1 | 90.6 | 57.8 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 1540 | S | 32.8 | Very low | 32.4 | Very low | 103 Ų | 103 | 131.2 Ų | 131.2 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | 176.6 | 134.3 | 100.1 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1541 | T | 30.5 | Very low | 32.3 | Very low | 114 Ų | 114 | 137 Ų | 137 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | trans | 59.7 | 132.9 | 140.5 | 56.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1542 | D | 32.5 | Very low | 32 | Very low | 145.4 Ų | 145.4 | 134.6 Ų | 134.6 | 78% | 0.778 | 74% | 0.739 | S | S | * | * | 106 | 131.8 | 129.8 | -68.5 | -27.7 | 0 | 0 | 0 | 116 | |||||
| 1543 | S | 33.6 | Very low | 31.8 | Very low | 97.4 Ų | 97.4 | 132.6 Ų | 132.6 | 68% | 0.681 | 74% | 0.737 | S | S | * | * | 121.2 | 134.6 | 95.9 | 71.2 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1544 | N | 34.1 | Very low | 31.8 | Very low | 140.8 Ų | 140.8 | 131 Ų | 131 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | 96.3 | 141.2 | 127.5 | -77.5 | -21.8 | 0 | 0 | 0 | 117.9 | |||||
| 1545 | N | 32.1 | Very low | 31.8 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | trans | 49.3 | 128.4 | 143.5 | -58.3 | 0.1 | 0 | 0 | 0 | 118.1 | ||||
| 1546 | D | 33.4 | Very low | 31.7 | Very low | 136.4 Ų | 136.4 | 138.9 Ų | 138.9 | 73% | 0.729 | 75% | 0.752 | S | S | * | * | 168.2 | 146.5 | 74.6 | -87.7 | -29.8 | 0 | 0 | 0 | 118.2 | |||||
| 1547 | F | 31.6 | Very low | 31.3 | Very low | 183.8 Ų | 183.8 | 142.8 Ų | 142.8 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | trans | -108.4 | 138.9 | 149.2 | -106.4 | -106.9 | 0 | 0 | 0 | 116.6 | ||||
| 1548 | N | 32.7 | Very low | 31.2 | Very low | 149.4 Ų | 149.4 | 142.8 Ų | 142.8 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | trans | 68.7 | 131.1 | 139.6 | -77.2 | -44.1 | 0 | 0 | 0 | 116.8 | ||||
| 1549 | G | 30.7 | Very low | 31 | Very low | 70.4 Ų | 70.4 | 141 Ų | 141 | 73% | 0.726 | 76% | 0.757 | S | S | * | * | trans | 170.6 | 120.6 | 134.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1550 | V | 31.8 | Very low | 31.1 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | 49.9 | 106.4 | 159.2 | -172.1 | 0 | 0 | 0 | 0 | 117 | L1552 | V1550-L1552 HydrophobicContact CG1-CB 4.32Å; V1550-L1552 HydrophobicContact CG1-CD1 4.13Å; V1550-L1552 HydrophobicContact CG1-CG 3.98Å; V1550-L1552 PolarHBondContact O-N 3Å | ||
| 1551 | K | 30.6 | Very low | 30.8 | Very low | 193 Ų | 193 | 146.9 Ų | 146.9 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | trans | 41.8 | 128.2 | 132.3 | -70.5 | 173.5 | 178.8 | 175.6 | 0 | 115.3 | S1553 | K1551-S1553 PolarHBondContact O-N 2.94Š| ||
| 1552 | L | 30.8 | Very low | 30.7 | Very low | 145.2 Ų | 145.2 | 144.2 Ų | 144.2 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | -152.8 | 128.5 | 94.6 | -141.3 | 95.9 | 0 | 0 | 0 | 112.8 | V1550 S1554 | V1550-L1552 HydrophobicContact CG1-CB 4.32Å; V1550-L1552 HydrophobicContact CG1-CD1 4.13Å; V1550-L1552 HydrophobicContact CG1-CG 3.98Å; V1550-L1552 PolarHBondContact O-N 3Å; L1552-S1554 PolarHBondContact O-N 3.06Å | |||
| 1553 | S | 28.8 | Very low | 30.6 | Very low | 97.6 Ų | 97.6 | 141.7 Ų | 141.7 | 68% | 0.683 | 76% | 0.757 | S | S | * | * | trans | -38.7 | 142.1 | 168.8 | 57.9 | 0 | 0 | 0 | 0 | 116.7 | K1551 | K1551-S1553 PolarHBondContact O-N 2.94Š| ||
| 1554 | S | 32.7 | Very low | 30.3 | Very low | 101.2 Ų | 101.2 | 148.1 Ų | 148.1 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | -152.2 | 132.5 | 126.2 | -126 | 0 | 0 | 0 | 0 | 113.7 | L1552 R1556 | L1552-S1554 PolarHBondContact O-N 3.06Å; S1554-R1556 PolarHBondContact O-N 3.35Å | |||
| 1555 | K | 31.5 | Very low | 30 | Very low | 187.2 Ų | 187.2 | 151.9 Ų | 151.9 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | trans | -54.9 | 126.5 | 164.6 | -69.7 | 170.1 | -179.6 | 169.4 | 0 | 115 | ||||
| 1556 | R | 29.8 | Very low | 29.8 | Very low | 238 Ų | 238 | 151 Ų | 151 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | trans | -157.6 | 135.5 | 133.3 | -91.7 | -178.1 | -157.6 | -173.7 | 2.7 | 110.6 | S1554 | S1554-R1556 PolarHBondContact O-N 3.35Š| ||
| 1557 | R | 27.8 | Very low | 29.5 | Very low | 225.2 Ų | 225.2 | 149.6 Ų | 149.6 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | cis | -135.9 | 113.6 | -0.2 | -174 | -165.5 | -169.6 | -177 | 5.9 | 108.7 | ||||
| 1558 | M | 28.4 | Very low | 29.3 | Very low | 156.6 Ų | 156.6 | 144.8 Ų | 144.8 | 77% | 0.771 | 76% | 0.76 | S | S | * | * | trans | -125.9 | 146.1 | 151.6 | -72.4 | -59.3 | 54.1 | 0 | 0 | 109.5 | ||||
| 1559 | S | 26.9 | Very low | 29.1 | Very low | 96.6 Ų | 96.6 | 143.5 Ų | 143.5 | 68% | 0.676 | 75% | 0.753 | S | S | * | * | trans | -57.7 | 138.8 | 138.4 | 51.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1560 | F | 29.7 | Very low | 29.1 | Very low | 174.2 Ų | 174.2 | 151 Ų | 151 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | -156 | 115 | 123.3 | -147.4 | -113.8 | 0 | 0 | 0 | 108.3 | Y1328 G1562 | Y1328-F1560 HydrophobicContact CD2-CD1 4.34Å; Y1328-F1560 AromaticContact CD2-CE1 3.52Å; Y1328-F1560 HydrophobicContact CD2-CE1 3.52Å; Y1328-F1560 HydrophobicContact CD2-CE2 4.26Å; Y1328-F1560 AromaticContact CD2-CZ 3.47Å; Y1328-F1560 HydrophobicContact CD2-CZ 3.47Å; Y1328-F1560 VanDerWaalsContact CD2-CZ 3.47Å; Y1328-F1560 HydrophobicContact CE2-CE1 4.11Å; Y1328-F1560 HydrophobicContact CE2-CE2 4.05Å; Y1328-F1560 AromaticContact CE2-CZ 3.7Å; Y1328-F1560 HydrophobicContact CE2-CZ 3.7Å; Y1328-F1560 HydrophobicContact CG-CD1 4.42Å; Y1328-F1560 AromaticContact CG-CE1 3.89Å; Y1328-F1560 HydrophobicContact CG-CE1 3.89Å; Y1328-F1560 HydrophobicContact CG-CZ 4.3Å; F1560-G1562 WeakPolarHBondContact CD1-O 3.49Å; F1560-G1562 WeakPolarHBondContact CE1-O 3.41Å; F1560-G1562 PolarHBondContact O-N 3.11Å | |||
| 1561 | E | 27.4 | Very low | 28.9 | Very low | 171.4 Ų | 171.4 | 153.4 Ų | 153.4 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | trans | 66.2 | 105.1 | 132.4 | -155.3 | 67 | -130.8 | 0 | 0 | 113.5 | ||||
| 1562 | G | 28.9 | Very low | 28.8 | Very low | 58.4 Ų | 58.4 | 154.2 Ų | 154.2 | 60% | 0.602 | 76% | 0.76 | S | S | * | * | trans | 156.9 | 68.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | F1560 R1564 | F1560-G1562 WeakPolarHBondContact CD1-O 3.49Å; F1560-G1562 WeakPolarHBondContact CE1-O 3.41Å; F1560-G1562 PolarHBondContact O-N 3.11Å; G1562-R1564 PolarHBondContact O-N 2.88Å | ||
| 1563 | A | 29.3 | Very low | 28.7 | Very low | 91.4 Ų | 91.4 | 156.5 Ų | 156.5 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | -95.5 | 89.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114 | R1565 | A1563-R1565 PolarHBondContact O-N 2.62Š| ||
| 1564 | R | 27.1 | Very low | 28.7 | Very low | 231.4 Ų | 231.4 | 158 Ų | 158 | 87% | 0.873 | 77% | 0.769 | S | S | * | * | trans | -47.6 | 112.7 | 145.6 | -76.2 | -178.4 | -177.2 | -169.8 | 1.5 | 113.4 | G1562 | G1562-R1564 PolarHBondContact O-N 2.88Š| ||
| 1565 | R | 28.5 | Very low | 28.7 | Very low | 222 Ų | 222 | 158.5 Ų | 158.5 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | trans | 168 | 110.6 | 150.4 | -72.6 | 178.8 | -178 | -150 | -0.7 | 112.5 | A1563 | A1563-R1565 PolarHBondContact O-N 2.62Š| ||
| 1566 | T | 27.9 | Very low | 28.5 | Very low | 114.4 Ų | 114.4 | 156 Ų | 156 | 70% | 0.702 | 77% | 0.766 | S | S | * | * | 54.8 | 95.4 | 101.9 | 63.6 | 0 | 0 | 0 | 0 | 115.6 | S1568 E1789 | T1566-S1568 VanDerWaalsContact CB-OG 3.27Å; T1566-S1568 WeakPolarHBondContact CB-OG 3.29Å; T1566-S1568 WeakPolarHBondContact CG2-OG 3.46Å; T1566-S1568 PolarHBondContact O-N 2.86Å; T1566-E1789 HydrophobicContact CG2-CB 3.94Å; T1566-E1789 HydrophobicContact CG2-CG 4.2Å; T1566-E1789 WeakPolarHBondContact CG2-O 3.38Å | |||
| 1567 | S | 27.9 | Very low | 28.5 | Very low | 108.2 Ų | 108.2 | 152.4 Ų | 152.4 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | trans | 46.3 | 96 | 147.7 | -170.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1568 | S | 27.5 | Very low | 28.6 | Very low | 81.2 Ų | 81.2 | 149 Ų | 149 | 57% | 0.568 | 76% | 0.757 | S | S | * | * | trans | -162.9 | 129.4 | 153.4 | 64.1 | 0 | 0 | 0 | 0 | 112.7 | T1566 | T1566-S1568 VanDerWaalsContact CB-OG 3.27Å; T1566-S1568 WeakPolarHBondContact CB-OG 3.29Å; T1566-S1568 WeakPolarHBondContact CG2-OG 3.46Å; T1566-S1568 PolarHBondContact O-N 2.86Å | ||
| 1569 | D | 28.1 | Very low | 28.7 | Very low | 123.4 Ų | 123.4 | 145.5 Ų | 145.5 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | trans | 175.6 | 56.5 | 139.7 | -69.3 | -31.1 | 0 | 0 | 0 | 116.7 | H1571 R1572 | D1569-H1571 PolarHBondContact O-N 3.2Å; D1569-H1571 VanDerWaalsContact O-N 3.14Å; D1569-R1572 IonicContact OD1-NH1 2.63Å; D1569-R1572 PolarHBondContact OD1-NH1 3.23Å; D1569-R1572 VanDerWaalsContact OD1-NH1 3.08Å | ||
| 1570 | W | 29.5 | Very low | 29 | Very low | 226.8 Ų | 226.8 | 149.3 Ų | 149.3 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | trans | -96.4 | 25.2 | 161.1 | -83.7 | 105.8 | 0 | 0 | 0 | 113.4 | R1572 L1790 | W1570-R1572 PolarHBondContact O-N 3.44Å; W1570-L1790 HydrophobicContact CH2-CB 4.28Å; W1570-L1790 HydrophobicContact CH2-CD2 3.53Å; W1570-L1790 HydrophobicContact CZ2-CD2 4.48Å; W1570-L1790 HydrophobicContact CZ3-CD2 3.85Å | ||
| 1571 | H | 28.4 | Very low | 28.9 | Very low | 177.2 Ų | 177.2 | 148 Ų | 148 | 82% | 0.82 | 77% | 0.766 | S | S | * | * | trans | -128 | 67.1 | 175 | -80.1 | -47 | 0 | 0 | 0 | 112.1 | D1569 | D1569-H1571 PolarHBondContact O-N 3.2Å; D1569-H1571 VanDerWaalsContact O-N 3.14Å | ||
| 1572 | R | 28 | Very low | 29.2 | Very low | 210.4 Ų | 210.4 | 147.3 Ų | 147.3 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -151 | 103 | 163 | -111.8 | 179.1 | 174.9 | 163.1 | 2.1 | 111.9 | D1569 W1570 | D1569-R1572 IonicContact OD1-NH1 2.63Å; D1569-R1572 PolarHBondContact OD1-NH1 3.23Å; D1569-R1572 VanDerWaalsContact OD1-NH1 3.08Å; W1570-R1572 PolarHBondContact O-N 3.44Å | ||
| 1573 | F | 27.9 | Very low | 29.2 | Very low | 192.8 Ų | 192.8 | 152.2 Ų | 152.2 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | 151.2 | 70.8 | 154.6 | -77.2 | -70.6 | 0 | 0 | 0 | 114.1 | P1575 | F1573-P1575 WeakPolarHBondContact O-CD 3.44Š| ||
| 1574 | T | 28.7 | Very low | 29.3 | Very low | 130.8 Ų | 130.8 | 155.6 Ų | 155.6 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | -103.2 | 115.4 | 152.7 | 46.6 | 0 | 0 | 0 | 0 | 109.8 | N1576 | T1574-N1576 PolarHBondContact O-N 2.93Š| ||
| 1575 | P | 33 | Very low | 29.6 | Very low | 110.8 Ų | 110.8 | 152.6 Ų | 152.6 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | trans | -85.2 | 135.6 | 169.2 | 12.1 | -0.1 | 0 | 0 | 0 | 109.7 | F1573 L1577 | F1573-P1575 WeakPolarHBondContact O-CD 3.44Å; P1575-L1577 PolarHBondContact O-N 3.29Å; P1575-L1577 VanDerWaalsContact O-N 3.09Å | ||
| 1576 | N | 28.2 | Very low | 29.9 | Very low | 135 Ų | 135 | 148.9 Ų | 148.9 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | -73.3 | 127.6 | 165.4 | -94.3 | -11.2 | 0 | 0 | 0 | 111.7 | E1483 T1574 Q1578 | E1483-N1576 WeakPolarHBondContact CG-ND2 3.43Å; E1483-N1576 WeakPolarHBondContact OE1-CA 3.5Å; E1483-N1576 WeakPolarHBondContact OE1-CB 3.25Å; E1483-N1576 VanDerWaalsContact OE1-CG 3.24Å; T1574-N1576 PolarHBondContact O-N 2.93Å; N1576-Q1578 PolarHBondContact O-N 3.26Å; N1576-Q1578 VanDerWaalsContact O-N 3.07Å | ||
| 1577 | L | 30.2 | Very low | 30.1 | Very low | 161.2 Ų | 161.2 | 150 Ų | 150 | 84% | 0.844 | 77% | 0.77 | S | S | * | * | trans | -120.5 | 115.2 | 155.3 | -81.2 | 167.1 | 0 | 0 | 0 | 110.3 | E1483 P1575 | E1483-L1577 HydrophobicContact CB-CD2 3.87Å; E1483-L1577 HydrophobicContact CG-CD2 4.16Å; E1483-L1577 WeakPolarHBondContact O-CD2 3.32Å; E1483-L1577 PolarHBondContact OE1-N 2.89Å; P1575-L1577 PolarHBondContact O-N 3.29Å; P1575-L1577 VanDerWaalsContact O-N 3.09Å | ||
| 1578 | Q | 29.9 | Very low | 30.3 | Very low | 154.2 Ų | 154.2 | 151.6 Ų | 151.6 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | trans | -114.4 | 152.8 | 171.7 | -92.1 | 178.4 | -42.8 | 0 | 0 | 108.3 | E1483 N1576 L1580 | E1483-Q1578 PolarHBondContact O-NE2 2.93Å; N1576-Q1578 PolarHBondContact O-N 3.26Å; N1576-Q1578 VanDerWaalsContact O-N 3.07Å; Q1578-L1580 PolarHBondContact O-N 3.31Å | ||
| 1579 | A | 29.2 | Very low | 30.4 | Very low | 84.4 Ų | 84.4 | 156.7 Ų | 156.7 | 70% | 0.698 | 79% | 0.785 | S | S | * | * | trans | -26 | 119.4 | -175 | 0 | 0 | 0 | 0 | 0 | 113.3 | F1484 | F1484-A1579 HydrophobicContact CE1-CB 4.41Å; F1484-A1579 HydrophobicContact CE2-CB 4.17Å; F1484-A1579 HydrophobicContact CZ-CB 3.63Å | ||
| 1580 | L | 33.2 | Very low | 30.6 | Very low | 175.6 Ų | 175.6 | 159.3 Ų | 159.3 | 92% | 0.919 | 79% | 0.793 | S | S | * | * | trans | -135 | 120.5 | 146.6 | -77.3 | 179.3 | 0 | 0 | 0 | 107.9 | Q1578 | Q1578-L1580 PolarHBondContact O-N 3.31Š| ||
| 1581 | D | 27.7 | Very low | 30.6 | Very low | 146.2 Ų | 146.2 | 156.2 Ų | 156.2 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | trans | -76.3 | 141.9 | 174 | -85.2 | -49.5 | 0 | 0 | 0 | 110.2 | F1484 | F1484-D1581 WeakPolarHBondContact CZ-OD2 3.46Š| ||
| 1582 | I | 33.7 | Very low | 30.7 | Very low | 157.2 Ų | 157.2 | 159.4 Ų | 159.4 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | trans | -150.8 | 123.1 | 151.2 | -67.9 | 171.2 | 0 | 0 | 0 | 108.7 | E1584 | I1582-E1584 PolarHBondContact O-N 2.79Å; I1582-E1584 VanDerWaalsContact O-N 3.15Å | ||
| 1583 | Q | 30 | Very low | 30.7 | Very low | 160.8 Ų | 160.8 | 153.7 Ų | 153.7 | 75% | 0.751 | 79% | 0.786 | S | S | * | * | trans | -57.2 | 146.8 | 174.7 | -80.8 | 156.2 | -96.9 | 0 | 0 | 115.2 | ||||
| 1584 | E | 29.8 | Very low | 30.8 | Very low | 163.4 Ų | 163.4 | 151.6 Ų | 151.6 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | 42.5 | 128.1 | 146.7 | -64.7 | 164.3 | 176.5 | 0 | 0 | 116.2 | I1582 | I1582-E1584 PolarHBondContact O-N 2.79Å; I1582-E1584 VanDerWaalsContact O-N 3.15Å | ||
| 1585 | M | 35.3 | Very low | 30.9 | Very low | 167.8 Ų | 167.8 | 153.1 Ų | 153.1 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | -135.9 | 118 | 151.7 | -77.9 | -177.6 | 69.7 | 0 | 0 | 109.6 | D1587 | M1585-D1587 HydrophobicContact CE-CB 3.7Å; M1585-D1587 PolarHBondContact O-N 2.83Å | ||
| 1586 | D | 33.1 | Very low | 30.8 | Very low | 145.6 Ų | 145.6 | 156.5 Ų | 156.5 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | -62.3 | 145.3 | 155.4 | -86.3 | -44.6 | 0 | 0 | 0 | 111.3 | N1588 | D1586-N1588 PolarHBondContact O-N 3.16Å; D1586-N1588 VanDerWaalsContact O-N 3.11Å; D1586-N1588 PolarHBondContact O-ND2 2.71Å | ||
| 1587 | D | 33.6 | Very low | 30.9 | Very low | 137.4 Ų | 137.4 | 158.6 Ų | 158.6 | 74% | 0.735 | 79% | 0.79 | S | S | * | * | trans | 121.9 | 101.1 | 164.4 | -75.9 | -21.7 | 0 | 0 | 0 | 112.1 | M1585 E1589 | M1585-D1587 HydrophobicContact CE-CB 3.7Å; M1585-D1587 PolarHBondContact O-N 2.83Å; D1587-E1589 PolarHBondContact O-N 3.18Å | ||
| 1588 | N | 32.2 | Very low | 30.9 | Very low | 141.4 Ų | 141.4 | 160 Ų | 160 | 76% | 0.756 | 79% | 0.79 | S | S | * | * | trans | -159.9 | 114.6 | 135.2 | -77.6 | -71.7 | 0 | 0 | 0 | 112.5 | D1586 E1590 | D1586-N1588 PolarHBondContact O-N 3.16Å; D1586-N1588 VanDerWaalsContact O-N 3.11Å; D1586-N1588 PolarHBondContact O-ND2 2.71Å; N1588-E1590 PolarHBondContact O-N 2.83Å; N1588-E1590 VanDerWaalsContact O-N 3.14Å | ||
| 1589 | E | 29.7 | Very low | 30.9 | Very low | 189 Ų | 189 | 156.9 Ų | 156.9 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -107.3 | 118.2 | 154 | -82.4 | -170.9 | 153.5 | 0 | 0 | 110.2 | D1587 E1591 | D1587-E1589 PolarHBondContact O-N 3.18Å; E1589-E1591 PolarHBondContact O-N 2.92Å | ||
| 1590 | E | 32.1 | Very low | 31 | Very low | 176.6 Ų | 176.6 | 161.2 Ų | 161.2 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -76.3 | 115.6 | 167.6 | -76.6 | -174.7 | 157.3 | 0 | 0 | 113.2 | N1588 W1592 | N1588-E1590 PolarHBondContact O-N 2.83Å; N1588-E1590 VanDerWaalsContact O-N 3.14Å; E1590-W1592 PolarHBondContact O-N 3.35Å | ||
| 1591 | E | 28.9 | Very low | 30.9 | Very low | 162 Ų | 162 | 164 Ų | 164 | 76% | 0.757 | 80% | 0.796 | S | S | * | * | 47.2 | 105.3 | 98.4 | -144.9 | -172.8 | -165.2 | 0 | 0 | 115.9 | E1589 S1593 | E1589-E1591 PolarHBondContact O-N 2.92Å; E1591-S1593 VanDerWaalsContact C-N 3.29Å; E1591-S1593 WeakPolarHBondContact CB-OG 3.15Å; E1591-S1593 PolarHBondContact O-N 3.17Å; E1591-S1593 VanDerWaalsContact OE1-CB 3.25Å; E1591-S1593 WeakPolarHBondContact OE1-CB 3.25Å; E1591-S1593 PolarHBondContact OE1-OG 2.91Å | |||
| 1592 | W | 31.1 | Very low | 31.1 | Very low | 245.4 Ų | 245.4 | 163.6 Ų | 163.6 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | trans | -138.4 | 85.5 | 147.5 | -104.1 | 42.4 | 0 | 0 | 0 | 112.3 | E1590 N1594 | E1590-W1592 PolarHBondContact O-N 3.35Å; W1592-N1594 PolarHBondContact O-N 2.9Å | ||
| 1593 | S | 27.1 | Very low | 30.9 | Very low | 91 Ų | 91 | 166 Ų | 166 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | trans | -106.4 | 110.2 | 167.1 | 44.5 | 0 | 0 | 0 | 0 | 110.9 | E1591 E1595 | E1591-S1593 VanDerWaalsContact C-N 3.29Å; E1591-S1593 WeakPolarHBondContact CB-OG 3.15Å; E1591-S1593 PolarHBondContact O-N 3.17Å; E1591-S1593 VanDerWaalsContact OE1-CB 3.25Å; E1591-S1593 WeakPolarHBondContact OE1-CB 3.25Å; E1591-S1593 PolarHBondContact OE1-OG 2.91Å; S1593-E1595 PolarHBondContact O-N 3.16Å | ||
| 1594 | N | 30.4 | Very low | 30.9 | Very low | 148 Ų | 148 | 165.3 Ų | 165.3 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -169.9 | 102.6 | 163.1 | -82.9 | -55.7 | 0 | 0 | 0 | 112.5 | W1592 K1596 | W1592-N1594 PolarHBondContact O-N 2.9Å; N1594-K1596 PolarHBondContact O-N 3.44Å | ||
| 1595 | E | 31.5 | Very low | 31.1 | Very low | 163 Ų | 163 | 168.4 Ų | 168.4 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -113.6 | 138.1 | 150.5 | -121.8 | -176.3 | 150.2 | 0 | 0 | 111.9 | S1593 | S1593-E1595 PolarHBondContact O-N 3.16Š| ||
| 1596 | K | 29.8 | Very low | 30.8 | Very low | 180.8 Ų | 180.8 | 165 Ų | 165 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | 112.7 | 90.9 | 165.1 | -73.5 | 163.8 | -175.1 | 165.9 | 0 | 114.1 | N1594 | N1594-K1596 PolarHBondContact O-N 3.44Š| ||
| 1597 | Q | 29.5 | Very low | 30.8 | Very low | 179.8 Ų | 179.8 | 165.3 Ų | 165.3 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | -161.7 | 131.7 | 140.1 | -108.7 | 169.3 | 15.9 | 0 | 0 | 111.8 | ||||
| 1598 | F | 31.5 | Very low | 30.7 | Very low | 190.6 Ų | 190.6 | 166 Ų | 166 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | 91.8 | 84.9 | 162.2 | -82 | -81.7 | 0 | 0 | 0 | 115.1 | E1600 | F1598-E1600 HydrophobicContact CD1-CB 4.33Å; F1598-E1600 VanDerWaalsContact CD1-OE2 3.3Å; F1598-E1600 WeakPolarHBondContact CD1-OE2 3.31Å | ||
| 1599 | A | 29.8 | Very low | 30.7 | Very low | 89.4 Ų | 89.4 | 169.7 Ų | 169.7 | 74% | 0.739 | 79% | 0.793 | S | S | * | * | trans | -119.7 | 147.3 | 145.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1600 | E | 30.6 | Very low | 30.7 | Very low | 175.2 Ų | 175.2 | 164.8 Ų | 164.8 | 82% | 0.819 | 78% | 0.78 | S | S | * | * | trans | 78.4 | 91.3 | 172.7 | -147.9 | 169.4 | -144.3 | 0 | 0 | 115.2 | F1598 | F1598-E1600 HydrophobicContact CD1-CB 4.33Å; F1598-E1600 VanDerWaalsContact CD1-OE2 3.3Å; F1598-E1600 WeakPolarHBondContact CD1-OE2 3.31Å | ||
| 1601 | Y | 31.4 | Very low | 30.7 | Very low | 233.6 Ų | 233.6 | 164.4 Ų | 164.4 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | trans | -158.5 | 99.2 | 160.9 | -113.4 | -81.3 | 0 | 0 | 0 | 112.4 | ||||
| 1602 | D | 32.7 | Very low | 30.7 | Very low | 137.4 Ų | 137.4 | 161.6 Ų | 161.6 | 74% | 0.735 | 78% | 0.776 | S | S | * | * | trans | -129.4 | 123 | 167.3 | -161.1 | 3.1 | 0 | 0 | 0 | 111.4 | D1604 | D1602-D1604 PolarHBondContact OD1-N 3.24Å; D1602-D1604 VanDerWaalsContact OD1-N 3.09Å | ||
| 1603 | R | 29 | Very low | 30.9 | Very low | 208.8 Ų | 208.8 | 155.4 Ų | 155.4 | 79% | 0.788 | 77% | 0.767 | S | S | * | * | trans | -162.4 | 94.5 | 165.6 | -94 | -169.1 | -165.1 | -175.7 | 5.2 | 113.1 | Y1605 E2365 | R1603-Y1605 PolarHBondContact O-N 2.92Å; R1603-E2365 IonicContact CZ-OE1 2.64Å; R1603-E2365 IonicContact NH1-OE1 3.7Å; R1603-E2365 PolarHBondContact NH1-OE1 3.42Å; R1603-E2365 IonicContact NH2-OE1 2.8Å; R1603-E2365 PolarHBondContact NH2-OE1 2.84Å; R1603-E2365 IonicContact NH2-OE2 2.64Å; R1603-E2365 PolarHBondContact NH2-OE2 2.87Å | ||
| 1604 | D | 30.7 | Very low | 31 | Very low | 145 Ų | 145 | 156.7 Ų | 156.7 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | 139 | 94.4 | 159.9 | -84.2 | -18.5 | 0 | 0 | 0 | 113.5 | D1602 | D1602-D1604 PolarHBondContact OD1-N 3.24Å; D1602-D1604 VanDerWaalsContact OD1-N 3.09Å | ||
| 1605 | Y | 32.7 | Very low | 31.2 | Very low | 227.6 Ų | 227.6 | 157.6 Ų | 157.6 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | trans | -148.1 | 111.1 | 142.8 | -122.8 | -82.1 | 0 | 0 | 0 | 111.5 | R1603 | R1603-Y1605 PolarHBondContact O-N 2.92Š| ||
| 1606 | S | 30.2 | Very low | 31.1 | Very low | 98 Ų | 98 | 157 Ų | 157 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | trans | -114.9 | 131.7 | 176.8 | -174.3 | 0 | 0 | 0 | 0 | 110.7 | H1608 | S1606-H1608 PolarHBondContact O-N 3.08Š| ||
| 1607 | H | 33.1 | Very low | 31.2 | Very low | 151.8 Ų | 151.8 | 154.9 Ų | 154.9 | 70% | 0.703 | 77% | 0.765 | S | S | * | * | trans | -149.4 | 119 | 160.1 | -95.4 | -96.7 | 0 | 0 | 0 | 111.4 | ||||
| 1608 | H | 31.7 | Very low | 31.3 | Very low | 152.6 Ų | 152.6 | 154.4 Ų | 154.4 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | -126 | 139.7 | 149.8 | -85.3 | -58.2 | 0 | 0 | 0 | 113.5 | S1606 | S1606-H1608 PolarHBondContact O-N 3.08Š| ||
| 1609 | Y | 30.5 | Very low | 31.4 | Very low | 218 Ų | 218 | 151.5 Ų | 151.5 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | trans | -143.6 | 136.3 | 135.8 | -95.8 | -93.6 | 0 | 0 | 0 | 112.5 | ||||
| 1610 | S | 31.1 | Very low | 31.6 | Very low | 86.4 Ų | 86.4 | 153.5 Ų | 153.5 | 60% | 0.604 | 76% | 0.764 | S | S | * | * | -179 | 143.7 | 118.8 | -77 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1611 | Q | 31.3 | Very low | 31.6 | Very low | 168.2 Ų | 168.2 | 154.2 Ų | 154.2 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | 67.1 | 137.9 | 159.5 | -67.5 | 170.4 | -8.2 | 0 | 0 | 115.4 | ||||
| 1612 | S | 29.8 | Very low | 31.7 | Very low | 102.4 Ų | 102.4 | 152.4 Ų | 152.4 | 72% | 0.716 | 76% | 0.761 | S | S | * | * | trans | -47.8 | 174.4 | 152.3 | -49.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1613 | P | 35.6 | Very low | 31.6 | Very low | 114.8 Ų | 114.8 | 154.4 Ų | 154.4 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | cis | -135.9 | 163.7 | 14.3 | 39.3 | -20.5 | 0 | 0 | 0 | 118.5 | ||||
| 1614 | V | 28.9 | Very low | 31.7 | Very low | 120 Ų | 120 | 147.9 Ų | 147.9 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | 9 | 144.2 | 144.8 | -180 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1615 | H | 33.5 | Very low | 31.8 | Very low | 165.2 Ų | 165.2 | 147.3 Ų | 147.3 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | trans | 126.4 | 139 | 154.8 | -82.8 | -77.2 | 0 | 0 | 0 | 116.6 | ||||
| 1616 | Q | 28.8 | Very low | 31.8 | Very low | 150.4 Ų | 150.4 | 145.2 Ų | 145.2 | 70% | 0.703 | 76% | 0.764 | S | S | * | * | trans | -145.7 | 159.7 | -170.9 | -92 | 176.3 | -69.8 | 0 | 0 | 113.4 | ||||
| 1617 | D | 32.9 | Very low | 31.9 | Very low | 137.6 Ų | 137.6 | 147.5 Ų | 147.5 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | 102.3 | 126.2 | 148.6 | -72.3 | -19.3 | 0 | 0 | 0 | 117.9 | ||||
| 1618 | E | 31.6 | Very low | 32 | Very low | 170 Ų | 170 | 148.4 Ų | 148.4 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | 53.6 | 138.4 | 137 | -71.1 | -165 | 145.3 | 0 | 0 | 118.1 | ||||
| 1619 | T | 32.5 | Very low | 32.1 | Very low | 129.6 Ų | 129.6 | 150.2 Ų | 150.2 | 80% | 0.795 | 79% | 0.788 | S | S | * | * | trans | 108.5 | 139.4 | 139 | 56.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1620 | V | 33.9 | Very low | 32.3 | Very low | 131.4 Ų | 131.4 | 146.7 Ų | 146.7 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | trans | -143.1 | 131.2 | 149.7 | 165.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1621 | K | 31.3 | Very low | 32.4 | Very low | 190.2 Ų | 190.2 | 150.9 Ų | 150.9 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | trans | -75.2 | 148.1 | 154.3 | -68.2 | 175 | -179.2 | -178.1 | 0 | 115.9 | ||||
| 1622 | K | 33.9 | Very low | 32.5 | Very low | 195 Ų | 195 | 151.2 Ų | 151.2 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -162.7 | 148 | 141.6 | -95.7 | -179 | 177.7 | -166.2 | 0 | 113.5 | ||||
| 1623 | E | 30.3 | Very low | 32.9 | Very low | 179.4 Ų | 179.4 | 152.1 Ų | 152.1 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | trans | -119.7 | 153.5 | -179.6 | -78.7 | 137.2 | 169.9 | 0 | 0 | 109.9 | ||||
| 1624 | G | 31.4 | Very low | 33.4 | Very low | 73 Ų | 73 | 154.2 Ų | 154.2 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | 154.1 | 111.9 | 153.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1625 | T | 32.3 | Very low | 34.3 | Very low | 131.6 Ų | 131.6 | 155.7 Ų | 155.7 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | trans | -137.7 | 144.2 | -169.7 | -19.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1626 | E | 33.2 | Very low | 36 | Very low | 184 Ų | 184 | 152.6 Ų | 152.6 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -137.3 | 152.8 | 161.8 | -78.9 | 167.5 | 171.5 | 0 | 0 | 112 | ||||
| 1627 | N | 32.8 | Very low | 38.2 | Very low | 146.8 Ų | 146.8 | 148.7 Ų | 148.7 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -140.1 | 140.2 | -177.1 | -71.3 | -59.3 | 0 | 0 | 0 | 109.6 | E1629 | N1627-E1629 PolarHBondContact O-N 2.69Š| ||
| 1628 | D | 34 | Very low | 39.4 | Very low | 168.8 Ų | 168.8 | 147.4 Ų | 147.4 | 90% | 0.903 | 78% | 0.778 | S | S | * | * | trans | -126 | 131.8 | 161.8 | -94.9 | -43.1 | 0 | 0 | 0 | 110.8 | V1630 | D1628-V1630 PolarHBondContact O-N 2.76Š| ||
| 1629 | E | 34.8 | Very low | 40.8 | Very low | 191.8 Ų | 191.8 | 148 Ų | 148 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | trans | -98.3 | 129.4 | 179.1 | -77.4 | -176.2 | 143.9 | 0 | 0 | 112.5 | N1627 M1631 | N1627-E1629 PolarHBondContact O-N 2.69Å; E1629-M1631 PolarHBondContact O-N 3.03Å | ||
| 1630 | V | 34.5 | Very low | 42.8 | Very low | 143.6 Ų | 143.6 | 146.4 Ų | 146.4 | 87% | 0.87 | 76% | 0.756 | S | S | * | * | trans | -98.6 | 118.5 | 175.9 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | D1628 E1632 | D1628-V1630 PolarHBondContact O-N 2.76Å; V1630-E1632 PolarHBondContact O-N 2.85Å | ||
| 1631 | M | 32.6 | Very low | 44.8 | Very low | 174.8 Ų | 174.8 | 146.2 Ų | 146.2 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | trans | -81.9 | 137.4 | 178.1 | -119.5 | 177.4 | 54.1 | 0 | 0 | 112.6 | E1629 | E1629-M1631 PolarHBondContact O-N 3.03Š| ||
| 1632 | E | 34.7 | Very low | 46.6 | Very low | 175.2 Ų | 175.2 | 144.6 Ų | 144.6 | 82% | 0.819 | 73% | 0.73 | S | S | * | * | trans | -66.1 | 143.6 | -179 | -70.2 | -165.6 | 133.3 | 0 | 0 | 113.5 | V1630 I1634 | V1630-E1632 PolarHBondContact O-N 2.85Å; E1632-I1634 PolarHBondContact O-N 3.06Å | ||
| 1633 | P | 38.6 | Very low | 48.7 | Very low | 120.8 Ų | 120.8 | 141.2 Ų | 141.2 | 78% | 0.784 | 71% | 0.713 | S | S | * | * | trans | -74.2 | 114.4 | 175.6 | 30.1 | -33.6 | 0 | 0 | 0 | 111.2 | E1635 | P1633-E1635 PolarHBondContact O-N 2.98Å; P1633-E1635 VanDerWaalsContact O-N 3.14Å | ||
| 1634 | I | 46 | Very low | 51 | Low | 158.8 Ų | 158.8 | 135.2 Ų | 135.2 | 81% | 0.814 | 69% | 0.686 | S | S | * | * | trans | -50.2 | 121.8 | 175.5 | -61.8 | 170.7 | 0 | 0 | 0 | 110.4 | E1632 K1636 | E1632-I1634 PolarHBondContact O-N 3.06Å; I1634-K1636 PolarHBondContact O-N 3.15Å; I1634-K1636 VanDerWaalsContact O-N 3.09Å | ||
| 1635 | E | 46 | Very low | 53 | Low | 152.6 Ų | 152.6 | 133.8 Ų | 133.8 | 71% | 0.713 | 67% | 0.668 | S | S | * | * | trans | -59.9 | 111.6 | -179.8 | -81.2 | -141.2 | 96.6 | 0 | 0 | 111.8 | P1633 T1637 R1641 | P1633-E1635 PolarHBondContact O-N 2.98Å; P1633-E1635 VanDerWaalsContact O-N 3.14Å; E1635-T1637 PolarHBondContact O-N 2.96Å; E1635-R1641 IonicContact OE1-CZ 2.69Å; E1635-R1641 IonicContact OE1-NH1 3.01Å; E1635-R1641 IonicContact OE1-NH2 3.23Å; E1635-R1641 PolarHBondContact OE1-NH2 3.17Å | ||
| 1636 | K | 69.3 | Low | 55.2 | Low | 99.4 Ų | 99.4 | 133.6 Ų | 133.6 | 43% | 0.432 | 65% | 0.653 | S | S | . | * | trans | -58.6 | 129 | 170.1 | -70.5 | -169.2 | 174 | -168.6 | 0 | 109.7 | I1634 Q1640 R1641 D1644 | I1634-K1636 PolarHBondContact O-N 3.15Å; I1634-K1636 VanDerWaalsContact O-N 3.09Å; K1636-Q1640 HydrophobicContact CB-CB 4.13Å; K1636-Q1640 HydrophobicContact CG-CB 4.49Å; K1636-R1641 HydrophobicContact CB-CG 3.97Å; K1636-R1641 VanDerWaalsContact O-CZ 3.27Å; K1636-R1641 PolarHBondContact O-NE 3.08Å; K1636-R1641 PolarHBondContact O-NH2 3.24Å; K1636-R1641 VanDerWaalsContact O-NH2 3.1Å; K1636-D1644 VanDerWaalsContact CD-OD2 3.25Å; K1636-D1644 WeakPolarHBondContact CD-OD2 3.42Å; K1636-D1644 WeakPolarHBondContact CE-OD2 3.28Å; K1636-D1644 IonicContact NZ-OD1 3.1Å; K1636-D1644 PolarHBondContact NZ-OD1 3.21Å; K1636-D1644 IonicContact NZ-OD2 3.1Å; K1636-D1644 PolarHBondContact NZ-OD2 2.95Å | ||
| 1637 | T | 75 | Confident | 57.2 | Low | 69 Ų | 69 | 130.7 Ų | 130.7 | 42% | 0.423 | 64% | 0.64 | S | S | . | * | trans | -59.1 | 155.6 | 175.3 | 60.1 | 0 | 0 | 0 | 0 | 111.2 | E1635 R1639 Q1640 R1641 | E1635-T1637 PolarHBondContact O-N 2.96Å; T1637-R1639 PolarHBondContact O-N 2.88Å; T1637-R1639 VanDerWaalsContact O-N 3.12Å; T1637-Q1640 CarbonylContact O-C 3.45Å; T1637-Q1640 WeakPolarHBondContact O-CA 3.28Å; T1637-Q1640 WeakPolarHBondContact O-CB 3.4Å; T1637-Q1640 PolarHBondContact O-N 3.12Å; T1637-Q1640 WeakPolarHBondContact OG1-CG 3.48Å; T1637-Q1640 PolarHBondContact OG1-N 3.02Å; T1637-Q1640 PolarHBondContact OG1-OE1 3.24Å; T1637-R1641 WeakPolarHBondContact O-CG 3.43Å; T1637-R1641 PolarHBondContact O-N 3.25Å | ||
| 1638 | P | 59.4 | Low | 59.2 | Low | 109.6 Ų | 109.6 | 130.9 Ų | 130.9 | 71% | 0.712 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -53.1 | -35.9 | 176.3 | -28.4 | 35.9 | 0 | 0 | 0 | 113.2 | Q1640 R1641 W1642 | P1638-Q1640 PolarHBondContact O-N 3.05Å; P1638-R1641 PolarHBondContact O-N 3.1Å; P1638-W1642 VanDerWaalsContact O-CB 3.32Å; P1638-W1642 WeakPolarHBondContact O-CB 3.31Å; P1638-W1642 PolarHBondContact O-N 3.04Å |
| 1639 | R | 60.2 | Low | 60.7 | Low | 181.6 Ų | 181.6 | 126.7 Ų | 126.7 | 69% | 0.685 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.9 | -41.4 | 175 | -169.9 | 175.7 | -178.1 | -170.6 | -1.7 | 112.7 | T1637 W1642 Y1643 | T1637-R1639 PolarHBondContact O-N 2.88Å; T1637-R1639 VanDerWaalsContact O-N 3.12Å; R1639-W1642 PolarHBondContact O-N 3.1Å; R1639-Y1643 HydrophobicContact CG-CD2 4.14Å; R1639-Y1643 HydrophobicContact CG-CE2 3.74Å; R1639-Y1643 PolarHBondContact NH2-OH 3.01Å; R1639-Y1643 VanDerWaalsContact NH2-OH 3.15Å; R1639-Y1643 VanDerWaalsContact O-CD2 3.23Å; R1639-Y1643 WeakPolarHBondContact O-CD2 3.36Å; R1639-Y1643 PolarHBondContact O-N 3.19Å |
| 1640 | Q | 74.4 | Confident | 62.3 | Low | 96.8 Ų | 96.8 | 118.8 Ų | 118.8 | 45% | 0.452 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.4 | -40.5 | 173.5 | -74.1 | 161.6 | -49.5 | 0 | 0 | 111.9 | K1636 T1637 P1638 W1642 Y1643 D1644 | K1636-Q1640 HydrophobicContact CB-CB 4.13Å; K1636-Q1640 HydrophobicContact CG-CB 4.49Å; T1637-Q1640 CarbonylContact O-C 3.45Å; T1637-Q1640 WeakPolarHBondContact O-CA 3.28Å; T1637-Q1640 WeakPolarHBondContact O-CB 3.4Å; T1637-Q1640 PolarHBondContact O-N 3.12Å; T1637-Q1640 WeakPolarHBondContact OG1-CG 3.48Å; T1637-Q1640 PolarHBondContact OG1-N 3.02Å; T1637-Q1640 PolarHBondContact OG1-OE1 3.24Å; P1638-Q1640 PolarHBondContact O-N 3.05Å; Q1640-W1642 VanDerWaalsContact C-N 3.27Å; Q1640-W1642 PolarHBondContact O-N 2.9Å; Q1640-Y1643 PolarHBondContact O-N 3.17Å; Q1640-D1644 VanDerWaalsContact O-CB 3.26Å; Q1640-D1644 WeakPolarHBondContact O-CB 3.32Å; Q1640-D1644 VanDerWaalsContact O-CG 3.3Å; Q1640-D1644 PolarHBondContact O-N 3.26Å |
| 1641 | R | 75.4 | Confident | 64 | Low | 128.2 Ų | 128.2 | 114.7 Ų | 114.7 | 48% | 0.484 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.7 | -35.7 | 174.6 | -62.6 | -175.9 | -158.6 | -158.4 | 4.3 | 111.6 | E1635 K1636 T1637 P1638 A1645 | E1635-R1641 IonicContact OE1-CZ 2.69Å; E1635-R1641 IonicContact OE1-NH1 3.01Å; E1635-R1641 IonicContact OE1-NH2 3.23Å; E1635-R1641 PolarHBondContact OE1-NH2 3.17Å; K1636-R1641 HydrophobicContact CB-CG 3.97Å; K1636-R1641 VanDerWaalsContact O-CZ 3.27Å; K1636-R1641 PolarHBondContact O-NE 3.08Å; K1636-R1641 PolarHBondContact O-NH2 3.24Å; K1636-R1641 VanDerWaalsContact O-NH2 3.1Å; T1637-R1641 WeakPolarHBondContact O-CG 3.43Å; T1637-R1641 PolarHBondContact O-N 3.25Å; P1638-R1641 PolarHBondContact O-N 3.1Å; R1641-A1645 WeakPolarHBondContact O-CB 3.42Å; R1641-A1645 PolarHBondContact O-N 3.14Å; R1641-A1645 VanDerWaalsContact O-N 3.12Å |
| 1642 | W | 70.7 | Confident | 65.6 | Low | 155.2 Ų | 155.2 | 115 Ų | 115 | 59% | 0.588 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -69.8 | -45.3 | 173.8 | -172.1 | 91.2 | 0 | 0 | 0 | 112.5 | P1638 R1639 Q1640 D1644 A1645 Y1646 | P1638-W1642 VanDerWaalsContact O-CB 3.32Å; P1638-W1642 WeakPolarHBondContact O-CB 3.31Å; P1638-W1642 PolarHBondContact O-N 3.04Å; R1639-W1642 PolarHBondContact O-N 3.1Å; Q1640-W1642 VanDerWaalsContact C-N 3.27Å; Q1640-W1642 PolarHBondContact O-N 2.9Å; W1642-D1644 PolarHBondContact O-N 3.16Å; W1642-A1645 WeakPolarHBondContact O-CB 3.41Å; W1642-A1645 PolarHBondContact O-N 3.28Å; W1642-A1645 VanDerWaalsContact O-N 3.09Å; W1642-Y1646 HydrophobicContact CH2-CD2 4.22Å; W1642-Y1646 HydrophobicContact CH2-CG 4.39Å; W1642-Y1646 HydrophobicContact CZ2-CD2 4.47Å; W1642-Y1646 HydrophobicContact CZ3-CG 4.4Å; W1642-Y1646 WeakPolarHBondContact O-CB 3.32Å; W1642-Y1646 PolarHBondContact O-N 3.06Å |
| 1643 | Y | 76.4 | Confident | 66.7 | Low | 124.8 Ų | 124.8 | 112.8 Ų | 112.8 | 49% | 0.489 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 174.5 | -97.2 | -81 | 0 | 0 | 0 | 112.1 | R1639 Q1640 A1645 Y1646 E1647 | R1639-Y1643 HydrophobicContact CG-CD2 4.14Å; R1639-Y1643 HydrophobicContact CG-CE2 3.74Å; R1639-Y1643 PolarHBondContact NH2-OH 3.01Å; R1639-Y1643 VanDerWaalsContact NH2-OH 3.15Å; R1639-Y1643 VanDerWaalsContact O-CD2 3.23Å; R1639-Y1643 WeakPolarHBondContact O-CD2 3.36Å; R1639-Y1643 PolarHBondContact O-N 3.19Å; Q1640-Y1643 PolarHBondContact O-N 3.17Å; Y1643-A1645 PolarHBondContact O-N 2.93Å; Y1643-A1645 VanDerWaalsContact O-N 3.13Å; Y1643-Y1646 PolarHBondContact O-N 2.93Å; Y1643-E1647 VanDerWaalsContact O-CB 3.27Å; Y1643-E1647 WeakPolarHBondContact O-CB 3.46Å; Y1643-E1647 WeakPolarHBondContact O-CG 3.35Å; Y1643-E1647 PolarHBondContact O-N 3.1Å |
| 1644 | D | 79 | Confident | 67.7 | Low | 51.8 Ų | 51.8 | 115.9 Ų | 115.9 | 28% | 0.277 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.2 | -28.8 | 173.4 | -80.2 | 3.1 | 0 | 0 | 0 | 112.9 | K1636 Q1640 W1642 R1648 | K1636-D1644 VanDerWaalsContact CD-OD2 3.25Å; K1636-D1644 WeakPolarHBondContact CD-OD2 3.42Å; K1636-D1644 WeakPolarHBondContact CE-OD2 3.28Å; K1636-D1644 IonicContact NZ-OD1 3.1Å; K1636-D1644 PolarHBondContact NZ-OD1 3.21Å; K1636-D1644 IonicContact NZ-OD2 3.1Å; K1636-D1644 PolarHBondContact NZ-OD2 2.95Å; Q1640-D1644 VanDerWaalsContact O-CB 3.26Å; Q1640-D1644 WeakPolarHBondContact O-CB 3.32Å; Q1640-D1644 VanDerWaalsContact O-CG 3.3Å; Q1640-D1644 PolarHBondContact O-N 3.26Å; W1642-D1644 PolarHBondContact O-N 3.16Å; D1644-R1648 WeakPolarHBondContact O-CB 3.43Å; D1644-R1648 VanDerWaalsContact O-CG 3.29Å; D1644-R1648 WeakPolarHBondContact O-CG 3.39Å; D1644-R1648 PolarHBondContact O-N 3.09Å; D1644-R1648 VanDerWaalsContact O-N 3.16Å; D1644-R1648 PolarHBondContact O-NE 3.01Å; D1644-R1648 PolarHBondContact O-NH2 2.81Å; D1644-R1648 IonicContact OD2-NH2 3.91Å |
| 1645 | A | 74.6 | Confident | 67.9 | Low | 44.4 Ų | 44.4 | 113 Ų | 113 | 37% | 0.367 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -83 | -44.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R1641 W1642 Y1643 E1647 R1648 V1649 | R1641-A1645 WeakPolarHBondContact O-CB 3.42Å; R1641-A1645 PolarHBondContact O-N 3.14Å; R1641-A1645 VanDerWaalsContact O-N 3.12Å; W1642-A1645 WeakPolarHBondContact O-CB 3.41Å; W1642-A1645 PolarHBondContact O-N 3.28Å; W1642-A1645 VanDerWaalsContact O-N 3.09Å; Y1643-A1645 PolarHBondContact O-N 2.93Å; Y1643-A1645 VanDerWaalsContact O-N 3.13Å; A1645-E1647 PolarHBondContact O-N 3.2Å; A1645-R1648 PolarHBondContact O-N 3.1Å; A1645-R1648 VanDerWaalsContact O-N 3.14Å; A1645-V1649 WeakPolarHBondContact O-CG2 3.3Å; A1645-V1649 PolarHBondContact O-N 3.14Å |
| 1646 | Y | 76.9 | Confident | 67.6 | Low | 127.6 Ų | 127.6 | 114 Ų | 114 | 50% | 0.5 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -57.1 | -49.9 | 174.2 | 178.6 | -97.2 | 0 | 0 | 0 | 111.3 | W1642 Y1643 R1648 V1649 C1650 | W1642-Y1646 HydrophobicContact CH2-CD2 4.22Å; W1642-Y1646 HydrophobicContact CH2-CG 4.39Å; W1642-Y1646 HydrophobicContact CZ2-CD2 4.47Å; W1642-Y1646 HydrophobicContact CZ3-CG 4.4Å; W1642-Y1646 WeakPolarHBondContact O-CB 3.32Å; W1642-Y1646 PolarHBondContact O-N 3.06Å; Y1643-Y1646 PolarHBondContact O-N 2.93Å; Y1646-R1648 VanDerWaalsContact C-N 3.31Å; Y1646-R1648 PolarHBondContact O-N 3.19Å; Y1646-V1649 PolarHBondContact O-N 3.18Å; Y1646-V1649 VanDerWaalsContact O-N 3.11Å; Y1646-C1650 VanDerWaalsContact CZ-SG 3.56Å; Y1646-C1650 WeakPolarHBondContact O-CB 3.31Å; Y1646-C1650 PolarHBondContact O-N 3.1Å; Y1646-C1650 PolarHBondContact O-SG 3.14Å; Y1646-C1650 VanDerWaalsContact O-SG 3.38Å |
| 1647 | E | 76.3 | Confident | 65.9 | Low | 123 Ų | 123 | 112.7 Ų | 112.7 | 58% | 0.575 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.4 | -39 | 175.6 | -75.6 | -127.7 | 117.9 | 0 | 0 | 112.6 | Y1643 A1645 V1649 C1650 S1651 R1654 | Y1643-E1647 VanDerWaalsContact O-CB 3.27Å; Y1643-E1647 WeakPolarHBondContact O-CB 3.46Å; Y1643-E1647 WeakPolarHBondContact O-CG 3.35Å; Y1643-E1647 PolarHBondContact O-N 3.1Å; A1645-E1647 PolarHBondContact O-N 3.2Å; E1647-V1649 VanDerWaalsContact C-N 3.32Å; E1647-V1649 PolarHBondContact O-N 3.03Å; E1647-C1650 CarbonylContact O-C 3.54Å; E1647-C1650 PolarHBondContact O-N 3.04Å; E1647-S1651 VanDerWaalsContact O-CB 3.29Å; E1647-S1651 WeakPolarHBondContact O-CB 3.31Å; E1647-S1651 PolarHBondContact O-N 3.03Å; E1647-S1651 PolarHBondContact O-OG 3.02Å; E1647-S1651 VanDerWaalsContact O-OG 3.07Å; E1647-R1654 IonicContact OE1-NH2 3.22Å |
| 1648 | R | 74.2 | Confident | 63.8 | Low | 150.4 Ų | 150.4 | 112.6 Ų | 112.6 | 57% | 0.568 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.7 | -35.5 | 175.5 | -89 | 178.9 | -72.6 | -178.1 | -3.5 | 113.1 | D1644 A1645 Y1646 S1651 R1652 | D1644-R1648 WeakPolarHBondContact O-CB 3.43Å; D1644-R1648 VanDerWaalsContact O-CG 3.29Å; D1644-R1648 WeakPolarHBondContact O-CG 3.39Å; D1644-R1648 PolarHBondContact O-N 3.09Å; D1644-R1648 VanDerWaalsContact O-N 3.16Å; D1644-R1648 PolarHBondContact O-NE 3.01Å; D1644-R1648 PolarHBondContact O-NH2 2.81Å; D1644-R1648 IonicContact OD2-NH2 3.91Å; A1645-R1648 PolarHBondContact O-N 3.1Å; A1645-R1648 VanDerWaalsContact O-N 3.14Å; Y1646-R1648 VanDerWaalsContact C-N 3.31Å; Y1646-R1648 PolarHBondContact O-N 3.19Å; R1648-S1651 WeakPolarHBondContact CA-OG 3.48Å; R1648-S1651 PolarHBondContact O-N 2.78Å; R1648-S1651 PolarHBondContact O-OG 3.41Å; R1648-R1652 WeakPolarHBondContact O-CB 2.98Å; R1648-R1652 WeakPolarHBondContact O-CD 3.28Å; R1648-R1652 VanDerWaalsContact O-CG 3.29Å; R1648-R1652 WeakPolarHBondContact O-CG 3.36Å; R1648-R1652 PolarHBondContact O-N 3.12Å |
| 1649 | V | 66.9 | Low | 62.5 | Low | 82 Ų | 82 | 115.4 Ų | 115.4 | 50% | 0.497 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -70.4 | -49.6 | 173.7 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | A1645 Y1646 E1647 S1651 R1652 L1653 | A1645-V1649 WeakPolarHBondContact O-CG2 3.3Å; A1645-V1649 PolarHBondContact O-N 3.14Å; Y1646-V1649 PolarHBondContact O-N 3.18Å; Y1646-V1649 VanDerWaalsContact O-N 3.11Å; E1647-V1649 VanDerWaalsContact C-N 3.32Å; E1647-V1649 PolarHBondContact O-N 3.03Å; V1649-S1651 VanDerWaalsContact C-N 3.29Å; V1649-S1651 PolarHBondContact O-N 3.25Å; V1649-S1651 VanDerWaalsContact O-N 3.14Å; V1649-R1652 PolarHBondContact O-N 3.05Å; V1649-L1653 HydrophobicContact CG1-CD1 3.76Å; V1649-L1653 HydrophobicContact CG1-CG 4.34Å; V1649-L1653 WeakPolarHBondContact O-CB 3.36Å; V1649-L1653 VanDerWaalsContact O-CG 3.31Å; V1649-L1653 WeakPolarHBondContact O-CG 3.33Å; V1649-L1653 PolarHBondContact O-N 3.19Å |
| 1650 | C | 67 | Low | 61.1 | Low | 24.8 Ų | 24.8 | 115.9 Ų | 115.9 | 17% | 0.168 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -65.5 | -22.3 | 177.9 | -67.3 | 0 | 0 | 0 | 0 | 113.8 | Y1646 E1647 R1654 | Y1646-C1650 VanDerWaalsContact CZ-SG 3.56Å; Y1646-C1650 WeakPolarHBondContact O-CB 3.31Å; Y1646-C1650 PolarHBondContact O-N 3.1Å; Y1646-C1650 PolarHBondContact O-SG 3.14Å; Y1646-C1650 VanDerWaalsContact O-SG 3.38Å; E1647-C1650 CarbonylContact O-C 3.54Å; E1647-C1650 PolarHBondContact O-N 3.04Å; C1650-R1654 VanDerWaalsContact O-CB 3.31Å; C1650-R1654 WeakPolarHBondContact O-CB 3.26Å; C1650-R1654 VanDerWaalsContact O-CG 3.27Å; C1650-R1654 WeakPolarHBondContact O-CG 3.36Å; C1650-R1654 PolarHBondContact O-N 3.1Å; C1650-R1654 PolarHBondContact O-NE 3.18Å |
| 1651 | S | 70.1 | Confident | 59.1 | Low | 58.8 Ų | 58.8 | 117 Ų | 117 | 41% | 0.411 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -80.3 | -40.5 | 172.2 | -62.4 | 0 | 0 | 0 | 0 | 111.9 | E1647 R1648 V1649 L1653 R1654 S1655 | E1647-S1651 VanDerWaalsContact O-CB 3.29Å; E1647-S1651 WeakPolarHBondContact O-CB 3.31Å; E1647-S1651 PolarHBondContact O-N 3.03Å; E1647-S1651 PolarHBondContact O-OG 3.02Å; E1647-S1651 VanDerWaalsContact O-OG 3.07Å; R1648-S1651 WeakPolarHBondContact CA-OG 3.48Å; R1648-S1651 PolarHBondContact O-N 2.78Å; R1648-S1651 PolarHBondContact O-OG 3.41Å; V1649-S1651 VanDerWaalsContact C-N 3.29Å; V1649-S1651 PolarHBondContact O-N 3.25Å; V1649-S1651 VanDerWaalsContact O-N 3.14Å; S1651-L1653 PolarHBondContact O-N 2.99Å; S1651-R1654 CarbonylContact O-C 3.15Å; S1651-R1654 WeakPolarHBondContact O-CA 3.45Å; S1651-R1654 PolarHBondContact O-N 3.03Å; S1651-R1654 VanDerWaalsContact O-N 3.15Å; S1651-S1655 WeakPolarHBondContact O-CB 3.31Å; S1651-S1655 PolarHBondContact O-N 3.26Å; S1651-S1655 PolarHBondContact O-OG 3.18Å |
| 1652 | R | 65.9 | Low | 57 | Low | 180.4 Ų | 180.4 | 117.2 Ų | 117.2 | 68% | 0.681 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.6 | -47.2 | 173.5 | -74.2 | 175.9 | 179.3 | -177.2 | -2.1 | 111.9 | R1648 V1649 R1654 S1655 E1656 | R1648-R1652 WeakPolarHBondContact O-CB 2.98Å; R1648-R1652 WeakPolarHBondContact O-CD 3.28Å; R1648-R1652 VanDerWaalsContact O-CG 3.29Å; R1648-R1652 WeakPolarHBondContact O-CG 3.36Å; R1648-R1652 PolarHBondContact O-N 3.12Å; V1649-R1652 PolarHBondContact O-N 3.05Å; R1652-R1654 PolarHBondContact O-N 3.19Å; R1652-R1654 VanDerWaalsContact O-N 3.12Å; R1652-S1655 PolarHBondContact O-N 3.13Å; R1652-E1656 WeakPolarHBondContact O-CB 3.43Å; R1652-E1656 WeakPolarHBondContact O-CG 3.5Å; R1652-E1656 PolarHBondContact O-N 3.13Å |
| 1653 | L | 59.5 | Low | 55.2 | Low | 129.6 Ų | 129.6 | 117.6 Ų | 117.6 | 68% | 0.679 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.5 | -14.6 | 177.7 | -67.5 | 173 | 0 | 0 | 0 | 114 | V1649 S1651 | V1649-L1653 HydrophobicContact CG1-CD1 3.76Å; V1649-L1653 HydrophobicContact CG1-CG 4.34Å; V1649-L1653 WeakPolarHBondContact O-CB 3.36Å; V1649-L1653 VanDerWaalsContact O-CG 3.31Å; V1649-L1653 WeakPolarHBondContact O-CG 3.33Å; V1649-L1653 PolarHBondContact O-N 3.19Å; S1651-L1653 PolarHBondContact O-N 2.99Å |
| 1654 | R | 58.1 | Low | 52.9 | Low | 185.6 Ų | 185.6 | 116.6 Ų | 116.6 | 70% | 0.7 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -96.8 | -16.6 | 174.2 | -73.3 | -175.1 | -91.9 | -146.1 | 5.7 | 113.7 | E1647 C1650 S1651 R1652 G1657 | E1647-R1654 IonicContact OE1-NH2 3.22Å; C1650-R1654 VanDerWaalsContact O-CB 3.31Å; C1650-R1654 WeakPolarHBondContact O-CB 3.26Å; C1650-R1654 VanDerWaalsContact O-CG 3.27Å; C1650-R1654 WeakPolarHBondContact O-CG 3.36Å; C1650-R1654 PolarHBondContact O-N 3.1Å; C1650-R1654 PolarHBondContact O-NE 3.18Å; S1651-R1654 CarbonylContact O-C 3.15Å; S1651-R1654 WeakPolarHBondContact O-CA 3.45Å; S1651-R1654 PolarHBondContact O-N 3.03Å; S1651-R1654 VanDerWaalsContact O-N 3.15Å; R1652-R1654 PolarHBondContact O-N 3.19Å; R1652-R1654 VanDerWaalsContact O-N 3.12Å; R1654-G1657 PolarHBondContact O-N 3.34Å |
| 1655 | S | 50 | Low | 50.7 | Low | 97 Ų | 97 | 119.4 Ų | 119.4 | 68% | 0.678 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -92.9 | -30.4 | -174.4 | -61.9 | 0 | 0 | 0 | 0 | 114.6 | S1651 R1652 G1657 | S1651-S1655 WeakPolarHBondContact O-CB 3.31Å; S1651-S1655 PolarHBondContact O-N 3.26Å; S1651-S1655 PolarHBondContact O-OG 3.18Å; R1652-S1655 PolarHBondContact O-N 3.13Å; S1655-G1657 VanDerWaalsContact C-N 3.25Å; S1655-G1657 PolarHBondContact O-N 3.48Å |
| 1656 | E | 40.7 | Very low | 48.6 | Very low | 175 Ų | 175 | 124.7 Ų | 124.7 | 82% | 0.818 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 31.1 | -177.6 | -67.3 | 176.4 | 175.8 | 0 | 0 | 112.5 | R1652 G1658 | R1652-E1656 WeakPolarHBondContact O-CB 3.43Å; R1652-E1656 WeakPolarHBondContact O-CG 3.5Å; R1652-E1656 PolarHBondContact O-N 3.13Å; E1656-G1658 PolarHBondContact O-N 2.87Å; E1656-G1658 VanDerWaalsContact O-N 3.07Å |
| 1657 | G | 34.2 | Very low | 46.5 | Very low | 70.8 Ų | 70.8 | 123.4 Ų | 123.4 | 73% | 0.73 | 68% | 0.682 | S | S | * | * | trans | -108.3 | 55.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R1654 S1655 L1659 | R1654-G1657 PolarHBondContact O-N 3.34Å; S1655-G1657 VanDerWaalsContact C-N 3.25Å; S1655-G1657 PolarHBondContact O-N 3.48Å; G1657-L1659 PolarHBondContact O-N 2.95Å | ||
| 1658 | G | 29.6 | Very low | 44.4 | Very low | 67 Ų | 67 | 124.9 Ų | 124.9 | 69% | 0.691 | 69% | 0.694 | S | S | * | * | trans | 147 | 107.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 117 | E1656 | E1656-G1658 PolarHBondContact O-N 2.87Å; E1656-G1658 VanDerWaalsContact O-N 3.07Å | ||
| 1659 | L | 31.8 | Very low | 42.4 | Very low | 167.6 Ų | 167.6 | 124.5 Ų | 124.5 | 88% | 0.877 | 70% | 0.703 | S | S | * | * | trans | -175.5 | 100.3 | 144.5 | -104.5 | 165.9 | 0 | 0 | 0 | 112.1 | G1657 | G1657-L1659 PolarHBondContact O-N 2.95Š| ||
| 1660 | F | 31.2 | Very low | 40.8 | Very low | 193.6 Ų | 193.6 | 127.5 Ų | 127.5 | 85% | 0.849 | 72% | 0.716 | S | S | * | * | trans | -109.8 | 149 | 166.3 | -77.7 | -81.9 | 0 | 0 | 0 | 111.2 | ||||
| 1661 | P | 33.5 | Very low | 39.2 | Very low | 119.8 Ų | 119.8 | 135 Ų | 135 | 78% | 0.778 | 75% | 0.748 | S | S | * | * | trans | -116.1 | 156.3 | 139.8 | 29.3 | -20.1 | 0 | 0 | 0 | 114.4 | I1663 | P1661-I1663 PolarHBondContact O-N 2.85Š| ||
| 1662 | V | 29.3 | Very low | 37.3 | Very low | 132.8 Ų | 132.8 | 136.6 Ų | 136.6 | 81% | 0.805 | 76% | 0.759 | S | S | * | * | trans | -84.5 | 134 | -177.7 | 176 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1663 | I | 33 | Very low | 35.8 | Very low | 162.8 Ų | 162.8 | 132.6 Ų | 132.6 | 84% | 0.835 | 76% | 0.758 | S | S | * | * | trans | -149.4 | 146.5 | 154.8 | -80.4 | 155.2 | 0 | 0 | 0 | 109.3 | P1661 | P1661-I1663 PolarHBondContact O-N 2.85Š| ||
| 1664 | S | 29.6 | Very low | 34.6 | Very low | 103.2 Ų | 103.2 | 133.7 Ų | 133.7 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | -101.2 | 163.5 | -160.8 | -78.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1665 | P | 32.4 | Very low | 33.5 | Very low | 111.6 Ų | 111.6 | 133.7 Ų | 133.7 | 73% | 0.725 | 76% | 0.759 | S | S | * | * | trans | -96.7 | 165.4 | -166.4 | 35.8 | -32.8 | 0 | 0 | 0 | 114.1 | ||||
| 1666 | N | 30.5 | Very low | 32.8 | Very low | 155.4 Ų | 155.4 | 134 Ų | 134 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | trans | 165.2 | 143.8 | 152 | -87 | -20.7 | 0 | 0 | 0 | 112.3 | ||||
| 1667 | S | 32 | Very low | 32.5 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | trans | 99.8 | 121.8 | 161.8 | 47.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1668 | D | 32.3 | Very low | 32.5 | Very low | 155 Ų | 155 | 136 Ų | 136 | 83% | 0.829 | 76% | 0.755 | S | S | * | * | 30 | 136.8 | 125.4 | -58.4 | -39.2 | 0 | 0 | 0 | 115.3 | |||||
| 1669 | D | 32.9 | Very low | 32.7 | Very low | 140.8 Ų | 140.8 | 139.4 Ų | 139.4 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | 173.2 | 164.6 | 96.7 | -133.3 | -17.8 | 0 | 0 | 0 | 116.1 | H1671 | D1669-H1671 PolarHBondContact O-N 3.34Å; D1669-H1671 VanDerWaalsContact O-N 3.15Å | |||
| 1670 | L | 33.2 | Very low | 32.7 | Very low | 146.8 Ų | 146.8 | 136.9 Ų | 136.9 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | 63.9 | 76.7 | 164 | -93.4 | 85.3 | 0 | 0 | 0 | 120.4 | ||||
| 1671 | H | 34 | Very low | 32.8 | Very low | 182 Ų | 182 | 135.4 Ų | 135.4 | 84% | 0.843 | 75% | 0.752 | S | S | * | * | trans | -125.3 | 60.9 | 152.8 | -96.8 | -81.1 | 0 | 0 | 0 | 117.3 | D1669 | D1669-H1671 PolarHBondContact O-N 3.34Å; D1669-H1671 VanDerWaalsContact O-N 3.15Å | ||
| 1672 | S | 30.1 | Very low | 32.7 | Very low | 92.6 Ų | 92.6 | 134.8 Ų | 134.8 | 65% | 0.648 | 75% | 0.748 | S | S | * | * | trans | -106.7 | 65.3 | 155.2 | 76.2 | 0 | 0 | 0 | 0 | 117.6 | F1674 Y1675 T1676 | S1672-F1674 VanDerWaalsContact C-N 3.31Å; S1672-F1674 PolarHBondContact O-N 3.22Å; S1672-F1674 VanDerWaalsContact O-N 3.12Å; S1672-Y1675 PolarHBondContact O-N 3.25Å; S1672-Y1675 VanDerWaalsContact O-N 3.11Å; S1672-T1676 PolarHBondContact O-N 3.06Å; S1672-T1676 PolarHBondContact O-OG1 2.71Å | ||
| 1673 | S | 34.5 | Very low | 32.7 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -124.7 | 50.9 | 165.9 | -171.3 | 0 | 0 | 0 | 0 | 114.8 | N1677 | S1673-N1677 PolarHBondContact O-ND2 3Å |
| 1674 | F | 34.2 | Very low | 32.8 | Very low | 152.8 Ų | 152.8 | 133.2 Ų | 133.2 | 67% | 0.67 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -109.6 | -49.8 | 170.4 | -168 | -125.5 | 0 | 0 | 0 | 113.1 | S1672 T1676 | S1672-F1674 VanDerWaalsContact C-N 3.31Å; S1672-F1674 PolarHBondContact O-N 3.22Å; S1672-F1674 VanDerWaalsContact O-N 3.12Å; F1674-T1676 VanDerWaalsContact C-N 3.34Å; F1674-T1676 PolarHBondContact O-N 3.35Å |
| 1675 | Y | 33.5 | Very low | 32.8 | Very low | 186.6 Ų | 186.6 | 137.6 Ų | 137.6 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -103.9 | 31.4 | -171.8 | -71.6 | -68.8 | 0 | 0 | 0 | 115.1 | S1672 | S1672-Y1675 PolarHBondContact O-N 3.25Å; S1672-Y1675 VanDerWaalsContact O-N 3.11Å |
| 1676 | T | 36.6 | Very low | 32.9 | Very low | 102.8 Ų | 102.8 | 140.2 Ų | 140.2 | 63% | 0.631 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -101.7 | 25.7 | 167.5 | 48.7 | 0 | 0 | 0 | 0 | 112.8 | S1672 F1674 I1678 | S1672-T1676 PolarHBondContact O-N 3.06Å; S1672-T1676 PolarHBondContact O-OG1 2.71Å; F1674-T1676 VanDerWaalsContact C-N 3.34Å; F1674-T1676 PolarHBondContact O-N 3.35Å; T1676-I1678 PolarHBondContact O-N 3.29Å |
| 1677 | N | 34.4 | Very low | 32.8 | Very low | 142.4 Ų | 142.4 | 141.8 Ų | 141.8 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -118.8 | 44.9 | 173 | -75.9 | -50.7 | 0 | 0 | 0 | 114.1 | S1673 | S1673-N1677 PolarHBondContact O-ND2 3Š|
| 1678 | I | 34.9 | Very low | 32.9 | Very low | 145.8 Ų | 145.8 | 146.5 Ų | 146.5 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | -118.8 | 70.8 | 164.2 | -61.8 | 174.8 | 0 | 0 | 0 | 110.2 | T1676 S1680 | T1676-I1678 PolarHBondContact O-N 3.29Å; I1678-S1680 PolarHBondContact O-N 2.82Å; I1678-S1680 VanDerWaalsContact O-N 3.12Å | ||
| 1679 | D | 32 | Very low | 33.1 | Very low | 138 Ų | 138 | 148.5 Ų | 148.5 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | trans | -116.8 | 112.7 | 172 | -157.3 | -3.4 | 0 | 0 | 0 | 112.6 | M1681 K2360 | D1679-M1681 PolarHBondContact OD1-N 2.98Å; D1679-K2360 IonicContact OD2-NZ 2.83Å | ||
| 1680 | S | 32.3 | Very low | 33.2 | Very low | 115.6 Ų | 115.6 | 147.4 Ų | 147.4 | 81% | 0.808 | 75% | 0.752 | S | S | * | * | trans | -162 | 83.1 | 165.1 | -80.9 | 0 | 0 | 0 | 0 | 111.1 | I1678 P1682 | I1678-S1680 PolarHBondContact O-N 2.82Å; I1678-S1680 VanDerWaalsContact O-N 3.12Å; S1680-P1682 WeakPolarHBondContact O-CD 3.45Å | ||
| 1681 | M | 32.8 | Very low | 33.5 | Very low | 161.4 Ų | 161.4 | 149.4 Ų | 149.4 | 80% | 0.795 | 75% | 0.754 | S | S | * | * | trans | -85.7 | 127 | 174.5 | -169.4 | 179.7 | 68.9 | 0 | 0 | 111.8 | D1679 D1683 | D1679-M1681 PolarHBondContact OD1-N 2.98Å; M1681-D1683 HydrophobicContact CE-CB 4.35Å; M1681-D1683 VanDerWaalsContact CE-OD2 3.31Å; M1681-D1683 WeakPolarHBondContact CE-OD2 3.44Å; M1681-D1683 PolarHBondContact O-N 3.11Å; M1681-D1683 VanDerWaalsContact O-N 3.14Å | ||
| 1682 | P | 33.3 | Very low | 33.8 | Very low | 106.8 Ų | 106.8 | 143.5 Ų | 143.5 | 69% | 0.694 | 73% | 0.733 | S | S | * | * | trans | -92.3 | 121.1 | 169.4 | 26.2 | -23 | 0 | 0 | 0 | 112.3 | S1680 I1684 | S1680-P1682 WeakPolarHBondContact O-CD 3.45Å; P1682-I1684 VanDerWaalsContact C-N 3.33Å; P1682-I1684 HydrophobicContact CB-CG1 4.39Å; P1682-I1684 PolarHBondContact O-N 3.1Å | ||
| 1683 | D | 29.1 | Very low | 34.4 | Very low | 122.4 Ų | 122.4 | 143.7 Ų | 143.7 | 66% | 0.655 | 73% | 0.726 | S | S | * | * | trans | -72.4 | 95.4 | 178.6 | -156.1 | -5.8 | 0 | 0 | 0 | 112.2 | M1681 R1685 | M1681-D1683 HydrophobicContact CE-CB 4.35Å; M1681-D1683 VanDerWaalsContact CE-OD2 3.31Å; M1681-D1683 WeakPolarHBondContact CE-OD2 3.44Å; M1681-D1683 PolarHBondContact O-N 3.11Å; M1681-D1683 VanDerWaalsContact O-N 3.14Å; D1683-R1685 PolarHBondContact O-N 3.04Å; D1683-R1685 VanDerWaalsContact OD1-CG 3.23Å; D1683-R1685 WeakPolarHBondContact OD1-CG 3.47Å; D1683-R1685 IonicContact OD1-CZ 3.14Å; D1683-R1685 IonicContact OD1-NE 3.36Å; D1683-R1685 PolarHBondContact OD1-NE 3.19Å; D1683-R1685 IonicContact OD1-NH2 2.8Å; D1683-R1685 WeakPolarHBondContact OD2-CD 3.47Å; D1683-R1685 WeakPolarHBondContact OD2-CG 3.36Å; D1683-R1685 IonicContact OD2-CZ 2.72Å; D1683-R1685 VanDerWaalsContact OD2-CZ 3.26Å; D1683-R1685 IonicContact OD2-NE 2.96Å; D1683-R1685 PolarHBondContact OD2-NE 2.8Å; D1683-R1685 IonicContact OD2-NH1 3.93Å; D1683-R1685 PolarHBondContact OD2-NH1 3.09Å | ||
| 1684 | I | 34 | Very low | 34.9 | Very low | 140.6 Ų | 140.6 | 142.2 Ų | 142.2 | 72% | 0.721 | 71% | 0.713 | S | S | * | * | trans | -106.3 | 85.2 | 172.2 | -54.9 | -177.1 | 0 | 0 | 0 | 110.2 | P1682 L1686 | P1682-I1684 VanDerWaalsContact C-N 3.33Å; P1682-I1684 HydrophobicContact CB-CG1 4.39Å; P1682-I1684 PolarHBondContact O-N 3.1Å; I1684-L1686 HydrophobicContact CG2-CD2 4.1Å; I1684-L1686 HydrophobicContact CG2-CG 4.26Å; I1684-L1686 PolarHBondContact O-N 3.12Å | ||
| 1685 | R | 29.6 | Very low | 35.6 | Very low | 196 Ų | 196 | 136.8 Ų | 136.8 | 74% | 0.74 | 70% | 0.695 | S | S | * | * | trans | -50.7 | 97.9 | 168.7 | -66.6 | 175.5 | 158.6 | 163.7 | -6.7 | 113 | D1683 K1687 | D1683-R1685 PolarHBondContact O-N 3.04Å; D1683-R1685 VanDerWaalsContact OD1-CG 3.23Å; D1683-R1685 WeakPolarHBondContact OD1-CG 3.47Å; D1683-R1685 IonicContact OD1-CZ 3.14Å; D1683-R1685 IonicContact OD1-NE 3.36Å; D1683-R1685 PolarHBondContact OD1-NE 3.19Å; D1683-R1685 IonicContact OD1-NH2 2.8Å; D1683-R1685 WeakPolarHBondContact OD2-CD 3.47Å; D1683-R1685 WeakPolarHBondContact OD2-CG 3.36Å; D1683-R1685 IonicContact OD2-CZ 2.72Å; D1683-R1685 VanDerWaalsContact OD2-CZ 3.26Å; D1683-R1685 IonicContact OD2-NE 2.96Å; D1683-R1685 PolarHBondContact OD2-NE 2.8Å; D1683-R1685 IonicContact OD2-NH1 3.93Å; D1683-R1685 PolarHBondContact OD2-NH1 3.09Å; R1685-K1687 VanDerWaalsContact C-N 3.25Å; R1685-K1687 HydrophobicContact CB-CG 4.38Å; R1685-K1687 PolarHBondContact O-N 3.1Å | ||
| 1686 | L | 33.9 | Very low | 36 | Very low | 164.4 Ų | 164.4 | 132.6 Ų | 132.6 | 86% | 0.861 | 69% | 0.685 | S | S | * | * | trans | -65.7 | 90.9 | 166.9 | -73.4 | 173.1 | 0 | 0 | 0 | 113.9 | I1684 K1688 | I1684-L1686 HydrophobicContact CG2-CD2 4.1Å; I1684-L1686 HydrophobicContact CG2-CG 4.26Å; I1684-L1686 PolarHBondContact O-N 3.12Å; L1686-K1688 VanDerWaalsContact C-N 3.28Å; L1686-K1688 PolarHBondContact O-N 3.11Å; L1686-K1688 VanDerWaalsContact O-N 3.11Å | ||
| 1687 | K | 30.4 | Very low | 36.2 | Very low | 189.6 Ų | 189.6 | 131.9 Ų | 131.9 | 82% | 0.824 | 68% | 0.677 | S | S | * | * | trans | -95.4 | 90.1 | 173.1 | -73.8 | -173.1 | 176.2 | -179.8 | 0 | 112.6 | R1685 | R1685-K1687 VanDerWaalsContact C-N 3.25Å; R1685-K1687 HydrophobicContact CB-CG 4.38Å; R1685-K1687 PolarHBondContact O-N 3.1Å | ||
| 1688 | K | 33.8 | Very low | 36.9 | Very low | 198.4 Ų | 198.4 | 127.1 Ų | 127.1 | 86% | 0.863 | 65% | 0.653 | S | S | * | * | trans | -108.4 | 112.6 | 159.6 | -76.5 | 174.1 | 180 | 177.1 | 0 | 113.4 | L1686 | L1686-K1688 VanDerWaalsContact C-N 3.28Å; L1686-K1688 PolarHBondContact O-N 3.11Å; L1686-K1688 VanDerWaalsContact O-N 3.11Å | ||
| 1689 | K | 34.8 | Very low | 37.4 | Very low | 198.4 Ų | 198.4 | 124.8 Ų | 124.8 | 86% | 0.863 | 64% | 0.64 | S | S | * | * | trans | -102.5 | 137.2 | 149.5 | -72.2 | -177.1 | 178.3 | -176.8 | 0 | 111.3 | K1691 | K1689-K1691 PolarHBondContact O-N 3.4Š| ||
| 1690 | P | 36.2 | Very low | 37.9 | Very low | 116.8 Ų | 116.8 | 120.5 Ų | 120.5 | 76% | 0.758 | 62% | 0.624 | S | S | * | * | trans | -77.5 | 138.2 | 177 | 31.3 | -33.9 | 0 | 0 | 0 | 111.6 | S1692 | P1690-S1692 PolarHBondContact O-N 3.46Š| ||
| 1691 | K | 38.5 | Very low | 38.5 | Very low | 189.2 Ų | 189.2 | 118.4 Ų | 118.4 | 82% | 0.823 | 61% | 0.606 | S | S | * | * | trans | -135.9 | 137.5 | 161.2 | -82.9 | 173.5 | 179 | -174.4 | 0 | 107.9 | K1689 L1693 | K1689-K1691 PolarHBondContact O-N 3.4Å; K1691-L1693 VanDerWaalsContact C-N 3.26Å; K1691-L1693 HydrophobicContact CB-CD1 4.21Å; K1691-L1693 HydrophobicContact CB-CG 4.1Å; K1691-L1693 PolarHBondContact O-N 3.14Å; K1691-L1693 VanDerWaalsContact O-N 3.16Å | ||
| 1692 | S | 40.4 | Very low | 39.2 | Very low | 58.2 Ų | 58.2 | 114.9 Ų | 114.9 | 41% | 0.407 | 59% | 0.588 | S | S | . | * | trans | -65.5 | 111.7 | -175.5 | -174.8 | 0 | 0 | 0 | 0 | 112.3 | P1690 V1694 S1695 A2152 E2250 | P1690-S1692 PolarHBondContact O-N 3.46Å; S1692-V1694 PolarHBondContact OG-N 3.02Å; S1692-S1695 VanDerWaalsContact CB-OG 3.23Å; S1692-S1695 WeakPolarHBondContact CB-OG 3.37Å; S1692-S1695 PolarHBondContact O-OG 3.28Å; S1692-S1695 PolarHBondContact OG-OG 3.02Å; S1692-A2152 VanDerWaalsContact OG-CB 3.27Å; S1692-A2152 WeakPolarHBondContact OG-CB 3.13Å; S1692-E2250 WeakPolarHBondContact CA-OE1 3.44Å; S1692-E2250 WeakPolarHBondContact CB-OE1 3.4Å; S1692-E2250 PolarHBondContact OG-OE1 3.06Å | ||
| 1693 | L | 43.9 | Very low | 39.5 | Very low | 95.8 Ų | 95.8 | 117.9 Ų | 117.9 | 50% | 0.502 | 59% | 0.59 | S | S | . | * | trans | -87.5 | -1.3 | 179.5 | -84.9 | 149.6 | 0 | 0 | 0 | 114.6 | K1691 D1696 L1697 Q2217 S2246 V2247 | K1691-L1693 VanDerWaalsContact C-N 3.26Å; K1691-L1693 HydrophobicContact CB-CD1 4.21Å; K1691-L1693 HydrophobicContact CB-CG 4.1Å; K1691-L1693 PolarHBondContact O-N 3.14Å; K1691-L1693 VanDerWaalsContact O-N 3.16Å; L1693-D1696 PolarHBondContact O-N 2.87Å; L1693-L1697 HydrophobicContact CD2-CD1 4.32Å; L1693-L1697 VanDerWaalsContact O-CB 3.26Å; L1693-L1697 WeakPolarHBondContact O-CB 3.45Å; L1693-L1697 WeakPolarHBondContact O-CD1 3.48Å; L1693-L1697 PolarHBondContact O-N 3.38Å; L1693-Q2217 VanDerWaalsContact CD2-OE1 3.23Å; L1693-S2246 WeakPolarHBondContact CD2-OG 3.44Å; L1693-V2247 HydrophobicContact CD2-CG2 4.05Å | ||
| 1694 | V | 45.4 | Very low | 40 | Very low | 63.6 Ų | 63.6 | 121.4 Ų | 121.4 | 39% | 0.385 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -89.8 | -21.5 | -179.9 | -171.4 | 0 | 0 | 0 | 0 | 113 | S1692 D1696 L1697 T1698 T2202 F2205 I2206 V2247 | S1692-V1694 PolarHBondContact OG-N 3.02Å; V1694-D1696 VanDerWaalsContact C-N 3.35Å; V1694-D1696 PolarHBondContact O-N 3.48Å; V1694-L1697 PolarHBondContact O-N 2.84Å; V1694-T1698 HydrophobicContact CG1-CG2 4.12Å; V1694-T1698 VanDerWaalsContact O-CB 3.22Å; V1694-T1698 WeakPolarHBondContact O-CB 3.45Å; V1694-T1698 WeakPolarHBondContact O-CG2 3.15Å; V1694-T1698 PolarHBondContact O-N 3.1Å; V1694-T1698 PolarHBondContact O-OG1 3.15Å; V1694-T2202 HydrophobicContact CG2-CG2 3.96Å; V1694-F2205 HydrophobicContact CG1-CD1 3.9Å; V1694-F2205 HydrophobicContact CG1-CE1 4.1Å; V1694-I2206 HydrophobicContact CG1-CD1 4.1Å; V1694-I2206 HydrophobicContact CG2-CD1 4.14Å; V1694-V2247 HydrophobicContact CB-CG2 4.45Å; V1694-V2247 HydrophobicContact CG1-CG2 3.8Å; V1694-V2247 HydrophobicContact CG2-CG2 4.29Å |
| 1695 | S | 47.5 | Very low | 40.3 | Very low | 40 Ų | 40 | 120.1 Ų | 120.1 | 28% | 0.28 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -78.3 | -41.3 | 171.8 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | S1692 L1697 T1698 M1699 R2147 P2151 A2152 | S1692-S1695 VanDerWaalsContact CB-OG 3.23Å; S1692-S1695 WeakPolarHBondContact CB-OG 3.37Å; S1692-S1695 PolarHBondContact O-OG 3.28Å; S1692-S1695 PolarHBondContact OG-OG 3.02Å; S1695-L1697 PolarHBondContact O-N 3.24Å; S1695-L1697 VanDerWaalsContact O-N 3.15Å; S1695-T1698 WeakPolarHBondContact CA-OG1 3.49Å; S1695-T1698 WeakPolarHBondContact O-CB 3.34Å; S1695-T1698 PolarHBondContact O-N 3.18Å; S1695-T1698 PolarHBondContact O-OG1 3.13Å; S1695-T1698 VanDerWaalsContact O-OG1 3.12Å; S1695-M1699 WeakPolarHBondContact O-CB 3.36Å; S1695-M1699 VanDerWaalsContact O-CG 3.23Å; S1695-M1699 WeakPolarHBondContact O-CG 3.28Å; S1695-M1699 PolarHBondContact O-N 3.22Å; S1695-R2147 VanDerWaalsContact CB-O 3.28Å; S1695-R2147 WeakPolarHBondContact CB-O 3.49Å; S1695-P2151 WeakPolarHBondContact OG-CB 3.46Å; S1695-A2152 PolarHBondContact OG-N 2.76Å |
| 1696 | D | 42.2 | Very low | 40.7 | Very low | 99.2 Ų | 99.2 | 116.4 Ų | 116.4 | 53% | 0.53 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.3 | -27.6 | -170.4 | -71.5 | -7.2 | 0 | 0 | 0 | 113.7 | L1693 V1694 T1698 M1699 A1700 S2153 | L1693-D1696 PolarHBondContact O-N 2.87Å; V1694-D1696 VanDerWaalsContact C-N 3.35Å; V1694-D1696 PolarHBondContact O-N 3.48Å; D1696-T1698 PolarHBondContact O-N 2.73Å; D1696-M1699 PolarHBondContact O-N 3.38Å; D1696-A1700 VanDerWaalsContact O-CB 3.24Å; D1696-A1700 WeakPolarHBondContact O-CB 3.36Å; D1696-A1700 PolarHBondContact O-N 3.06Å; D1696-A1700 VanDerWaalsContact O-N 3.14Å; D1696-S2153 VanDerWaalsContact OD1-CB 3.29Å; D1696-S2153 WeakPolarHBondContact OD1-CB 3.15Å; D1696-S2153 PolarHBondContact OD1-OG 3.49Å; D1696-S2153 WeakPolarHBondContact OD2-CB 3.31Å; D1696-S2153 PolarHBondContact OD2-OG 2.97Å |
| 1697 | L | 41.3 | Very low | 40.8 | Very low | 88 Ų | 88 | 111 Ų | 111 | 46% | 0.461 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -76 | -37.7 | 177.1 | -150.4 | 64.8 | 0 | 0 | 0 | 112.1 | L1693 V1694 S1695 M1699 A1700 V1701 F2205 V2213 K2216 | L1693-L1697 HydrophobicContact CD2-CD1 4.32Å; L1693-L1697 VanDerWaalsContact O-CB 3.26Å; L1693-L1697 WeakPolarHBondContact O-CB 3.45Å; L1693-L1697 WeakPolarHBondContact O-CD1 3.48Å; L1693-L1697 PolarHBondContact O-N 3.38Å; V1694-L1697 PolarHBondContact O-N 2.84Å; S1695-L1697 PolarHBondContact O-N 3.24Å; S1695-L1697 VanDerWaalsContact O-N 3.15Å; L1697-M1699 VanDerWaalsContact C-N 3.31Å; L1697-M1699 PolarHBondContact O-N 3.21Å; L1697-A1700 WeakPolarHBondContact O-CB 3.49Å; L1697-A1700 PolarHBondContact O-N 3.18Å; L1697-A1700 VanDerWaalsContact O-N 3.1Å; L1697-V1701 WeakPolarHBondContact O-CB 3.34Å; L1697-V1701 VanDerWaalsContact O-CG2 3.28Å; L1697-V1701 WeakPolarHBondContact O-CG2 3.36Å; L1697-V1701 PolarHBondContact O-N 2.98Å; L1697-F2205 HydrophobicContact CB-CE1 4.23Å; L1697-F2205 HydrophobicContact CB-CZ 3.95Å; L1697-F2205 HydrophobicContact CD2-CE1 4.13Å; L1697-F2205 HydrophobicContact CD2-CZ 3.82Å; L1697-F2205 HydrophobicContact CG-CZ 4Å; L1697-V2213 HydrophobicContact CD2-CB 4.22Å; L1697-V2213 HydrophobicContact CD2-CG1 3.77Å; L1697-V2213 HydrophobicContact CD2-CG2 3.81Å; L1697-K2216 HydrophobicContact CD1-CB 4.49Å; L1697-K2216 HydrophobicContact CD1-CD 4.17Å; L1697-K2216 HydrophobicContact CD2-CB 3.85Å; L1697-K2216 HydrophobicContact CD2-CD 3.94Å; L1697-K2216 HydrophobicContact CG-CD 3.97Å |
| 1698 | T | 48.3 | Very low | 41.1 | Very low | 41.8 Ų | 41.8 | 106.1 Ų | 106.1 | 26% | 0.256 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.5 | -42.6 | 173.6 | 8.8 | 0 | 0 | 0 | 0 | 111.5 | V1694 S1695 D1696 A1700 V1701 Q1702 N2148 F2205 | V1694-T1698 HydrophobicContact CG1-CG2 4.12Å; V1694-T1698 VanDerWaalsContact O-CB 3.22Å; V1694-T1698 WeakPolarHBondContact O-CB 3.45Å; V1694-T1698 WeakPolarHBondContact O-CG2 3.15Å; V1694-T1698 PolarHBondContact O-N 3.1Å; V1694-T1698 PolarHBondContact O-OG1 3.15Å; S1695-T1698 WeakPolarHBondContact CA-OG1 3.49Å; S1695-T1698 WeakPolarHBondContact O-CB 3.34Å; S1695-T1698 PolarHBondContact O-N 3.18Å; S1695-T1698 PolarHBondContact O-OG1 3.13Å; S1695-T1698 VanDerWaalsContact O-OG1 3.12Å; D1696-T1698 PolarHBondContact O-N 2.73Å; T1698-A1700 VanDerWaalsContact C-N 3.31Å; T1698-A1700 PolarHBondContact O-N 3.14Å; T1698-V1701 CarbonylContact O-C 3.57Å; T1698-V1701 PolarHBondContact O-N 2.9Å; T1698-Q1702 HydrophobicContact CG2-CG 4.21Å; T1698-Q1702 WeakPolarHBondContact O-CB 3.42Å; T1698-Q1702 VanDerWaalsContact O-CG 3.3Å; T1698-Q1702 WeakPolarHBondContact O-CG 3.31Å; T1698-Q1702 PolarHBondContact O-N 2.98Å; T1698-N2148 WeakPolarHBondContact CB-OD1 3.22Å; T1698-N2148 HydrophobicContact CG2-CB 3.88Å; T1698-N2148 PolarHBondContact OG1-OD1 3.41Å; T1698-F2205 HydrophobicContact CG2-CD1 3.73Å; T1698-F2205 VanDerWaalsContact CG2-CD1 3.48Å; T1698-F2205 HydrophobicContact CG2-CD2 4.06Å; T1698-F2205 HydrophobicContact CG2-CE1 3.72Å; T1698-F2205 HydrophobicContact CG2-CE2 3.94Å; T1698-F2205 HydrophobicContact CG2-CG 4.21Å; T1698-F2205 HydrophobicContact CG2-CZ 3.82Å |
| 1699 | M | 45 | Very low | 41.3 | Very low | 95.6 Ų | 95.6 | 99.1 Ų | 99.1 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.7 | -36.3 | 173.6 | -79.8 | -91.6 | -115.5 | 0 | 0 | 113.1 | S1695 D1696 L1697 V1701 Q1702 K1703 N2148 P2151 | S1695-M1699 WeakPolarHBondContact O-CB 3.36Å; S1695-M1699 VanDerWaalsContact O-CG 3.23Å; S1695-M1699 WeakPolarHBondContact O-CG 3.28Å; S1695-M1699 PolarHBondContact O-N 3.22Å; D1696-M1699 PolarHBondContact O-N 3.38Å; L1697-M1699 VanDerWaalsContact C-N 3.31Å; L1697-M1699 PolarHBondContact O-N 3.21Å; M1699-V1701 PolarHBondContact O-N 2.8Å; M1699-Q1702 PolarHBondContact O-N 3.02Å; M1699-K1703 VanDerWaalsContact O-CB 3.27Å; M1699-K1703 WeakPolarHBondContact O-CB 3.34Å; M1699-K1703 PolarHBondContact O-N 3.06Å; M1699-K1703 VanDerWaalsContact O-N 3.07Å; M1699-N2148 WeakPolarHBondContact CE-O 3.42Å; M1699-N2148 HydrophobicContact CG-CB 4.31Å; M1699-N2148 PolarHBondContact N-OD1 3.07Å; M1699-P2151 HydrophobicContact CE-CB 4.14Å; M1699-P2151 HydrophobicContact CE-CG 3.96Å |
| 1700 | A | 43.6 | Very low | 41.6 | Very low | 49 Ų | 49 | 92.8 Ų | 92.8 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.8 | -30.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1696 L1697 T1698 R1704 | D1696-A1700 VanDerWaalsContact O-CB 3.24Å; D1696-A1700 WeakPolarHBondContact O-CB 3.36Å; D1696-A1700 PolarHBondContact O-N 3.06Å; D1696-A1700 VanDerWaalsContact O-N 3.14Å; L1697-A1700 WeakPolarHBondContact O-CB 3.49Å; L1697-A1700 PolarHBondContact O-N 3.18Å; L1697-A1700 VanDerWaalsContact O-N 3.1Å; T1698-A1700 VanDerWaalsContact C-N 3.31Å; T1698-A1700 PolarHBondContact O-N 3.14Å; A1700-R1704 WeakPolarHBondContact O-CB 3.46Å; A1700-R1704 WeakPolarHBondContact O-CD 3.38Å; A1700-R1704 WeakPolarHBondContact O-CG 3.22Å; A1700-R1704 PolarHBondContact O-N 3.37Å; A1700-R1704 PolarHBondContact O-NE 2.86Å; A1700-R1704 PolarHBondContact O-NH2 2.76Å |
| 1701 | V | 43.6 | Very low | 41.5 | Very low | 72.2 Ų | 72.2 | 90 Ų | 90 | 44% | 0.438 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -83.9 | -43.6 | 177.6 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | L1697 T1698 M1699 K1703 R1704 N1705 F2205 | L1697-V1701 WeakPolarHBondContact O-CB 3.34Å; L1697-V1701 VanDerWaalsContact O-CG2 3.28Å; L1697-V1701 WeakPolarHBondContact O-CG2 3.36Å; L1697-V1701 PolarHBondContact O-N 2.98Å; T1698-V1701 CarbonylContact O-C 3.57Å; T1698-V1701 PolarHBondContact O-N 2.9Å; M1699-V1701 PolarHBondContact O-N 2.8Å; V1701-K1703 VanDerWaalsContact C-N 3.29Å; V1701-K1703 PolarHBondContact O-N 2.88Å; V1701-R1704 PolarHBondContact O-N 3.37Å; V1701-R1704 VanDerWaalsContact O-N 3.09Å; V1701-N1705 WeakPolarHBondContact O-CB 3.3Å; V1701-N1705 VanDerWaalsContact O-CG 3.27Å; V1701-N1705 PolarHBondContact O-N 2.72Å; V1701-N1705 PolarHBondContact O-OD1 3.23Å; V1701-F2205 HydrophobicContact CB-CE2 3.72Å; V1701-F2205 HydrophobicContact CB-CZ 3.69Å; V1701-F2205 HydrophobicContact CG1-CE2 3.7Å; V1701-F2205 HydrophobicContact CG1-CZ 4.06Å; V1701-F2205 HydrophobicContact CG2-CE2 4.5Å; V1701-F2205 HydrophobicContact CG2-CZ 4.03Å |
| 1702 | Q | 47.8 | Very low | 41.6 | Very low | 87.4 Ų | 87.4 | 84.9 Ų | 84.9 | 41% | 0.408 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.9 | -27.3 | 178.1 | -71 | -177.9 | -19 | 0 | 0 | 113 | T1698 M1699 R1704 N1705 M1706 N2148 F2205 | T1698-Q1702 HydrophobicContact CG2-CG 4.21Å; T1698-Q1702 WeakPolarHBondContact O-CB 3.42Å; T1698-Q1702 VanDerWaalsContact O-CG 3.3Å; T1698-Q1702 WeakPolarHBondContact O-CG 3.31Å; T1698-Q1702 PolarHBondContact O-N 2.98Å; M1699-Q1702 PolarHBondContact O-N 3.02Å; Q1702-R1704 VanDerWaalsContact C-N 3.31Å; Q1702-R1704 PolarHBondContact O-N 2.92Å; Q1702-R1704 VanDerWaalsContact O-N 3.12Å; Q1702-N1705 PolarHBondContact O-N 3.01Å; Q1702-M1706 WeakPolarHBondContact O-CG 3.4Å; Q1702-M1706 PolarHBondContact O-N 3.23Å; Q1702-N2148 PolarHBondContact OE1-ND2 3.19Å; Q1702-F2205 HydrophobicContact CG-CD2 3.91Å; Q1702-F2205 HydrophobicContact CG-CE2 3.99Å |
| 1703 | K | 41 | Very low | 41.9 | Very low | 169.6 Ų | 169.6 | 85.3 Ų | 85.3 | 74% | 0.737 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.4 | -12.7 | 179.7 | -126.9 | 175.1 | -178.8 | 175.2 | 0 | 115 | M1699 V1701 G1707 | M1699-K1703 VanDerWaalsContact O-CB 3.27Å; M1699-K1703 WeakPolarHBondContact O-CB 3.34Å; M1699-K1703 PolarHBondContact O-N 3.06Å; M1699-K1703 VanDerWaalsContact O-N 3.07Å; V1701-K1703 VanDerWaalsContact C-N 3.29Å; V1701-K1703 PolarHBondContact O-N 2.88Å; K1703-G1707 PolarHBondContact O-N 3.39Å; K1703-G1707 VanDerWaalsContact O-N 3.07Å |
| 1704 | R | 39.1 | Very low | 41.9 | Very low | 195.8 Ų | 195.8 | 85.5 Ų | 85.5 | 74% | 0.739 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -90.7 | -28.9 | 175.1 | -65.9 | 177.5 | -175.3 | 132.1 | 1.2 | 112.9 | A1700 V1701 Q1702 M1706 G1707 | A1700-R1704 WeakPolarHBondContact O-CB 3.46Å; A1700-R1704 WeakPolarHBondContact O-CD 3.38Å; A1700-R1704 WeakPolarHBondContact O-CG 3.22Å; A1700-R1704 PolarHBondContact O-N 3.37Å; A1700-R1704 PolarHBondContact O-NE 2.86Å; A1700-R1704 PolarHBondContact O-NH2 2.76Å; V1701-R1704 PolarHBondContact O-N 3.37Å; V1701-R1704 VanDerWaalsContact O-N 3.09Å; Q1702-R1704 VanDerWaalsContact C-N 3.31Å; Q1702-R1704 PolarHBondContact O-N 2.92Å; Q1702-R1704 VanDerWaalsContact O-N 3.12Å; R1704-M1706 VanDerWaalsContact C-N 3.33Å; R1704-M1706 PolarHBondContact O-N 3.09Å; R1704-G1707 WeakPolarHBondContact O-CA 3.29Å; R1704-G1707 PolarHBondContact O-N 2.97Å; R1704-G1707 VanDerWaalsContact O-N 3.12Å |
| 1705 | N | 40.2 | Very low | 41.8 | Very low | 114 Ų | 114 | 87.3 Ų | 87.3 | 61% | 0.61 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -87.5 | -20.8 | -176.1 | -70.4 | 6.2 | 0 | 0 | 0 | 114 | V1701 Q1702 G1707 T1708 | V1701-N1705 WeakPolarHBondContact O-CB 3.3Å; V1701-N1705 VanDerWaalsContact O-CG 3.27Å; V1701-N1705 PolarHBondContact O-N 2.72Å; V1701-N1705 PolarHBondContact O-OD1 3.23Å; Q1702-N1705 PolarHBondContact O-N 3.01Å; N1705-G1707 VanDerWaalsContact C-N 3.25Å; N1705-G1707 PolarHBondContact O-N 3.11Å; N1705-T1708 PolarHBondContact O-N 2.84Å; N1705-T1708 PolarHBondContact O-OG1 3.27Å |
| 1706 | M | 38.5 | Very low | 42.1 | Very low | 116.6 Ų | 116.6 | 87.7 Ų | 87.7 | 57% | 0.574 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -11.1 | 175.8 | -69.5 | 172.8 | 70.3 | 0 | 0 | 114 | Q1702 R1704 T1708 A1709 S1710 N2148 | Q1702-M1706 WeakPolarHBondContact O-CG 3.4Å; Q1702-M1706 PolarHBondContact O-N 3.23Å; R1704-M1706 VanDerWaalsContact C-N 3.33Å; R1704-M1706 PolarHBondContact O-N 3.09Å; M1706-T1708 VanDerWaalsContact C-N 3.26Å; M1706-T1708 PolarHBondContact O-N 3.18Å; M1706-T1708 VanDerWaalsContact O-N 3.15Å; M1706-A1709 WeakPolarHBondContact O-CB 3.38Å; M1706-A1709 PolarHBondContact O-N 3.03Å; M1706-A1709 VanDerWaalsContact O-N 3.1Å; M1706-S1710 PolarHBondContact O-N 3.08Å; M1706-N2148 HydrophobicContact CE-CB 4.25Å; M1706-N2148 HydrophobicContact SD-CB 4.26Å |
| 1707 | G | 34.7 | Very low | 42.7 | Very low | 52 Ų | 52 | 90.2 Ų | 90.2 | 54% | 0.536 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67 | -20.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | K1703 R1704 N1705 A1709 S1710 A1711 | K1703-G1707 PolarHBondContact O-N 3.39Å; K1703-G1707 VanDerWaalsContact O-N 3.07Å; R1704-G1707 WeakPolarHBondContact O-CA 3.29Å; R1704-G1707 PolarHBondContact O-N 2.97Å; R1704-G1707 VanDerWaalsContact O-N 3.12Å; N1705-G1707 VanDerWaalsContact C-N 3.25Å; N1705-G1707 PolarHBondContact O-N 3.11Å; G1707-A1709 VanDerWaalsContact C-N 3.33Å; G1707-A1709 PolarHBondContact O-N 2.97Å; G1707-S1710 VanDerWaalsContact O-CB 3.29Å; G1707-S1710 WeakPolarHBondContact O-CB 3.37Å; G1707-S1710 PolarHBondContact O-N 3.34Å; G1707-A1711 PolarHBondContact O-N 3.29Å |
| 1708 | T | 37.9 | Very low | 43.5 | Very low | 86.2 Ų | 86.2 | 87.2 Ų | 87.2 | 53% | 0.529 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -84.4 | -23.1 | -178.3 | 52.1 | 0 | 0 | 0 | 0 | 114 | N1705 M1706 S1710 A1711 N1712 | N1705-T1708 PolarHBondContact O-N 2.84Å; N1705-T1708 PolarHBondContact O-OG1 3.27Å; M1706-T1708 VanDerWaalsContact C-N 3.26Å; M1706-T1708 PolarHBondContact O-N 3.18Å; M1706-T1708 VanDerWaalsContact O-N 3.15Å; T1708-S1710 PolarHBondContact O-N 3.43Å; T1708-A1711 WeakPolarHBondContact O-CB 3.15Å; T1708-A1711 PolarHBondContact O-N 2.78Å; T1708-A1711 VanDerWaalsContact O-N 3.16Å; T1708-N1712 WeakPolarHBondContact O-CB 3.49Å; T1708-N1712 VanDerWaalsContact O-CG 3.32Å; T1708-N1712 PolarHBondContact O-N 3.48Å; T1708-N1712 VanDerWaalsContact O-N 3.14Å; T1708-N1712 PolarHBondContact O-ND2 3.39Å |
| 1709 | A | 36.6 | Very low | 44 | Very low | 51.6 Ų | 51.6 | 87.3 Ų | 87.3 | 43% | 0.426 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.4 | -37.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1706 G1707 A1711 N1712 L1713 | M1706-A1709 WeakPolarHBondContact O-CB 3.38Å; M1706-A1709 PolarHBondContact O-N 3.03Å; M1706-A1709 VanDerWaalsContact O-N 3.1Å; G1707-A1709 VanDerWaalsContact C-N 3.33Å; G1707-A1709 PolarHBondContact O-N 2.97Å; A1709-A1711 VanDerWaalsContact C-N 3.3Å; A1709-A1711 PolarHBondContact O-N 3.16Å; A1709-A1711 VanDerWaalsContact O-N 3.16Å; A1709-N1712 PolarHBondContact O-N 3.19Å; A1709-L1713 WeakPolarHBondContact O-CD1 3.47Å; A1709-L1713 PolarHBondContact O-N 3.1Å; A1709-L1713 VanDerWaalsContact O-N 3.17Å |
| 1710 | S | 41 | Very low | 45 | Very low | 67.2 Ų | 67.2 | 88.6 Ų | 88.6 | 47% | 0.47 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69 | -25.3 | -179.5 | -50.7 | 0 | 0 | 0 | 0 | 113.8 | M1706 G1707 T1708 N1712 L1713 I1714 | M1706-S1710 PolarHBondContact O-N 3.08Å; G1707-S1710 VanDerWaalsContact O-CB 3.29Å; G1707-S1710 WeakPolarHBondContact O-CB 3.37Å; G1707-S1710 PolarHBondContact O-N 3.34Å; T1708-S1710 PolarHBondContact O-N 3.43Å; S1710-N1712 VanDerWaalsContact C-N 3.29Å; S1710-N1712 PolarHBondContact O-N 3.36Å; S1710-L1713 VanDerWaalsContact O-CB 3.32Å; S1710-L1713 WeakPolarHBondContact O-CB 3.49Å; S1710-L1713 PolarHBondContact O-N 3.32Å; S1710-L1713 VanDerWaalsContact O-N 3.14Å; S1710-I1714 WeakPolarHBondContact O-CG1 3.33Å; S1710-I1714 PolarHBondContact O-N 3.15Å; S1710-I1714 VanDerWaalsContact O-N 3.13Å |
| 1711 | A | 35.4 | Very low | 46.7 | Very low | 57.4 Ų | 57.4 | 89.4 Ų | 89.4 | 47% | 0.474 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.4 | -31 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | G1707 T1708 A1709 L1713 I1714 T1715 | G1707-A1711 PolarHBondContact O-N 3.29Å; T1708-A1711 WeakPolarHBondContact O-CB 3.15Å; T1708-A1711 PolarHBondContact O-N 2.78Å; T1708-A1711 VanDerWaalsContact O-N 3.16Å; A1709-A1711 VanDerWaalsContact C-N 3.3Å; A1709-A1711 PolarHBondContact O-N 3.16Å; A1709-A1711 VanDerWaalsContact O-N 3.16Å; A1711-L1713 VanDerWaalsContact C-N 3.26Å; A1711-L1713 PolarHBondContact O-N 2.98Å; A1711-I1714 PolarHBondContact O-N 3.21Å; A1711-T1715 WeakPolarHBondContact O-CB 3.23Å; A1711-T1715 PolarHBondContact O-N 2.92Å; A1711-T1715 PolarHBondContact O-OG1 2.93Å |
| 1712 | N | 40.8 | Very low | 48.7 | Very low | 81.2 Ų | 81.2 | 91 Ų | 91 | 43% | 0.434 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -83 | -12.6 | -178.3 | -70.3 | -14.8 | 0 | 0 | 0 | 113.6 | T1708 A1709 S1710 I1714 T1715 R1716 T2081 Q2134 | T1708-N1712 WeakPolarHBondContact O-CB 3.49Å; T1708-N1712 VanDerWaalsContact O-CG 3.32Å; T1708-N1712 PolarHBondContact O-N 3.48Å; T1708-N1712 VanDerWaalsContact O-N 3.14Å; T1708-N1712 PolarHBondContact O-ND2 3.39Å; A1709-N1712 PolarHBondContact O-N 3.19Å; S1710-N1712 VanDerWaalsContact C-N 3.29Å; S1710-N1712 PolarHBondContact O-N 3.36Å; N1712-I1714 VanDerWaalsContact C-N 3.31Å; N1712-I1714 PolarHBondContact O-N 3.01Å; N1712-T1715 PolarHBondContact O-N 3.25Å; N1712-T1715 VanDerWaalsContact O-N 3.15Å; N1712-R1716 VanDerWaalsContact O-CB 3.23Å; N1712-R1716 WeakPolarHBondContact O-CB 3.37Å; N1712-R1716 WeakPolarHBondContact O-CD 3.44Å; N1712-R1716 WeakPolarHBondContact O-CG 3.48Å; N1712-R1716 PolarHBondContact O-N 3.27Å; N1712-T2081 HydrophobicContact CB-CG2 4.05Å; N1712-Q2134 PolarHBondContact OD1-OE1 2.67Å |
| 1713 | L | 45.1 | Very low | 50.5 | Low | 66.8 Ų | 66.8 | 94.4 Ų | 94.4 | 35% | 0.35 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -75.4 | 2.8 | 174 | -118.6 | 76.5 | 0 | 0 | 0 | 111.7 | A1709 S1710 A1711 T1715 R1716 Q1717 Q2134 S2138 | A1709-L1713 WeakPolarHBondContact O-CD1 3.47Å; A1709-L1713 PolarHBondContact O-N 3.1Å; A1709-L1713 VanDerWaalsContact O-N 3.17Å; S1710-L1713 VanDerWaalsContact O-CB 3.32Å; S1710-L1713 WeakPolarHBondContact O-CB 3.49Å; S1710-L1713 PolarHBondContact O-N 3.32Å; S1710-L1713 VanDerWaalsContact O-N 3.14Å; A1711-L1713 VanDerWaalsContact C-N 3.26Å; A1711-L1713 PolarHBondContact O-N 2.98Å; L1713-T1715 PolarHBondContact O-N 3.02Å; L1713-R1716 WeakPolarHBondContact O-CA 3.29Å; L1713-R1716 PolarHBondContact O-N 3.02Å; L1713-Q1717 WeakPolarHBondContact O-CG 3.32Å; L1713-Q1717 PolarHBondContact O-N 3.49Å; L1713-Q2134 HydrophobicContact CD2-CB 4.43Å; L1713-Q2134 HydrophobicContact CG-CB 4.4Å; L1713-S2138 WeakPolarHBondContact CD1-OG 3.46Å |
| 1714 | I | 44.4 | Very low | 52.6 | Low | 100.6 Ų | 100.6 | 88.2 Ų | 88.2 | 52% | 0.516 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -22.3 | 5.9 | 177.2 | -58.5 | 172.3 | 0 | 0 | 0 | 112.3 | S1710 A1711 N1712 R1716 Q1717 S1718 L2131 Q2134 | S1710-I1714 WeakPolarHBondContact O-CG1 3.33Å; S1710-I1714 PolarHBondContact O-N 3.15Å; S1710-I1714 VanDerWaalsContact O-N 3.13Å; A1711-I1714 PolarHBondContact O-N 3.21Å; N1712-I1714 VanDerWaalsContact C-N 3.31Å; N1712-I1714 PolarHBondContact O-N 3.01Å; I1714-R1716 VanDerWaalsContact C-N 3.29Å; I1714-R1716 HydrophobicContact CG2-CG 4.17Å; I1714-R1716 PolarHBondContact O-N 3.03Å; I1714-Q1717 PolarHBondContact O-N 2.93Å; I1714-S1718 PolarHBondContact O-N 3.13Å; I1714-S1718 PolarHBondContact O-OG 3.32Å; I1714-L2131 HydrophobicContact CD1-CD1 3.79Å; I1714-Q2134 VanDerWaalsContact CG1-OE1 3.23Å |
| 1715 | T | 44.8 | Very low | 55 | Low | 100.4 Ų | 100.4 | 80.5 Ų | 80.5 | 62% | 0.616 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | 23.9 | 170.9 | 11.6 | 0 | 0 | 0 | 0 | 111.9 | A1711 N1712 L1713 Q1717 S1718 I1719 | A1711-T1715 WeakPolarHBondContact O-CB 3.23Å; A1711-T1715 PolarHBondContact O-N 2.92Å; A1711-T1715 PolarHBondContact O-OG1 2.93Å; N1712-T1715 PolarHBondContact O-N 3.25Å; N1712-T1715 VanDerWaalsContact O-N 3.15Å; L1713-T1715 PolarHBondContact O-N 3.02Å; T1715-Q1717 PolarHBondContact O-N 3.28Å; T1715-S1718 WeakPolarHBondContact CA-OG 3.39Å; T1715-S1718 PolarHBondContact O-OG 3.21Å; T1715-I1719 WeakPolarHBondContact O-CB 3.42Å; T1715-I1719 PolarHBondContact O-N 2.96Å; T1715-I1719 VanDerWaalsContact O-N 3.08Å |
| 1716 | R | 52.6 | Low | 57.3 | Low | 49.2 Ų | 49.2 | 80.3 Ų | 80.3 | 19% | 0.186 | 44% | 0.444 | C | S | . | . | trans | -85.5 | 57.4 | -179.4 | -69.8 | 177.4 | 179.5 | -122 | -4.2 | 112.2 | N1712 L1713 I1714 S1718 I1719 N1720 E2016 S2077 T2081 | N1712-R1716 VanDerWaalsContact O-CB 3.23Å; N1712-R1716 WeakPolarHBondContact O-CB 3.37Å; N1712-R1716 WeakPolarHBondContact O-CD 3.44Å; N1712-R1716 WeakPolarHBondContact O-CG 3.48Å; N1712-R1716 PolarHBondContact O-N 3.27Å; L1713-R1716 WeakPolarHBondContact O-CA 3.29Å; L1713-R1716 PolarHBondContact O-N 3.02Å; I1714-R1716 VanDerWaalsContact C-N 3.29Å; I1714-R1716 HydrophobicContact CG2-CG 4.17Å; I1714-R1716 PolarHBondContact O-N 3.03Å; R1716-S1718 PolarHBondContact O-N 3.12Å; R1716-S1718 VanDerWaalsContact O-N 3.14Å; R1716-I1719 HydrophobicContact CB-CB 4.37Å; R1716-I1719 HydrophobicContact CB-CD1 3.96Å; R1716-I1719 HydrophobicContact CB-CG1 4.04Å; R1716-I1719 HydrophobicContact CB-CG2 4.34Å; R1716-I1719 HydrophobicContact CG-CD1 4.39Å; R1716-I1719 WeakPolarHBondContact O-CG2 3.41Å; R1716-I1719 PolarHBondContact O-N 2.99Å; R1716-N1720 PolarHBondContact O-N 3.14Å; R1716-N1720 VanDerWaalsContact O-N 3.08Å; R1716-N1720 PolarHBondContact O-OD1 3.49Å; R1716-E2016 VanDerWaalsContact CD-OE1 3.28Å; R1716-E2016 WeakPolarHBondContact CD-OE1 3.36Å; R1716-E2016 WeakPolarHBondContact CG-OE1 3.39Å; R1716-E2016 IonicContact CZ-OE1 3.35Å; R1716-E2016 IonicContact NE-OE1 3.39Å; R1716-E2016 PolarHBondContact NE-OE1 3.09Å; R1716-E2016 IonicContact NH1-OE1 2.92Å; R1716-E2016 PolarHBondContact NH1-OE1 3.14Å; R1716-S2077 PolarHBondContact NH2-O 2.89Å; R1716-S2077 PolarHBondContact NH2-OG 3.46Å; R1716-T2081 PolarHBondContact NH2-OG1 3Å | ||
| 1717 | Q | 54.7 | Low | 59.7 | Low | 152.6 Ų | 152.6 | 77.3 Ų | 77.3 | 71% | 0.713 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -54.3 | -37.5 | 174.2 | -69 | 173.8 | -28.6 | 0 | 0 | 111.7 | L1713 I1714 T1715 I1719 N1720 D1721 | L1713-Q1717 WeakPolarHBondContact O-CG 3.32Å; L1713-Q1717 PolarHBondContact O-N 3.49Å; I1714-Q1717 PolarHBondContact O-N 2.93Å; T1715-Q1717 PolarHBondContact O-N 3.28Å; Q1717-I1719 VanDerWaalsContact C-N 3.3Å; Q1717-I1719 PolarHBondContact O-N 3.06Å; Q1717-I1719 VanDerWaalsContact O-N 3.14Å; Q1717-N1720 WeakPolarHBondContact O-CB 3.5Å; Q1717-N1720 PolarHBondContact O-N 3.23Å; Q1717-N1720 VanDerWaalsContact O-N 3.11Å; Q1717-D1721 PolarHBondContact O-N 2.92Å; Q1717-D1721 VanDerWaalsContact O-N 3.11Å |
| 1718 | S | 58.6 | Low | 62.5 | Low | 23 Ų | 23 | 75.5 Ų | 75.5 | 16% | 0.161 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -57 | -28.8 | 175.5 | 51.4 | 0 | 0 | 0 | 0 | 115.6 | I1714 T1715 R1716 N1720 E1722 E2016 | I1714-S1718 PolarHBondContact O-N 3.13Å; I1714-S1718 PolarHBondContact O-OG 3.32Å; T1715-S1718 WeakPolarHBondContact CA-OG 3.39Å; T1715-S1718 PolarHBondContact O-OG 3.21Å; R1716-S1718 PolarHBondContact O-N 3.12Å; R1716-S1718 VanDerWaalsContact O-N 3.14Å; S1718-N1720 VanDerWaalsContact C-N 3.31Å; S1718-E1722 PolarHBondContact O-N 3.31Å; S1718-E2016 VanDerWaalsContact CB-OE2 3.32Å; S1718-E2016 WeakPolarHBondContact CB-OE2 3.42Å; S1718-E2016 PolarHBondContact OG-OE2 3.13Å |
| 1719 | I | 59.5 | Low | 65.2 | Low | 44.8 Ų | 44.8 | 71.5 Ų | 71.5 | 23% | 0.23 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -80.3 | -19.8 | 179.3 | -86.2 | 176.6 | 0 | 0 | 0 | 111.6 | T1715 R1716 Q1717 D1721 E1722 E1723 K1725 E2016 | T1715-I1719 WeakPolarHBondContact O-CB 3.42Å; T1715-I1719 PolarHBondContact O-N 2.96Å; T1715-I1719 VanDerWaalsContact O-N 3.08Å; R1716-I1719 HydrophobicContact CB-CB 4.37Å; R1716-I1719 HydrophobicContact CB-CD1 3.96Å; R1716-I1719 HydrophobicContact CB-CG1 4.04Å; R1716-I1719 HydrophobicContact CB-CG2 4.34Å; R1716-I1719 HydrophobicContact CG-CD1 4.39Å; R1716-I1719 WeakPolarHBondContact O-CG2 3.41Å; R1716-I1719 PolarHBondContact O-N 2.99Å; Q1717-I1719 VanDerWaalsContact C-N 3.3Å; Q1717-I1719 PolarHBondContact O-N 3.06Å; Q1717-I1719 VanDerWaalsContact O-N 3.14Å; I1719-D1721 VanDerWaalsContact C-N 3.28Å; I1719-D1721 PolarHBondContact O-N 3.25Å; I1719-E1722 PolarHBondContact O-N 3.35Å; I1719-E1723 WeakPolarHBondContact O-CG 3.49Å; I1719-E1723 PolarHBondContact O-N 3.34Å; I1719-K1725 WeakPolarHBondContact O-CE 3.41Å; I1719-K1725 PolarHBondContact O-NZ 3.18Å; I1719-E2016 HydrophobicContact CD1-CB 4.36Å; I1719-E2016 HydrophobicContact CG1-CB 4.37Å |
| 1720 | N | 64.4 | Low | 67.8 | Low | 123.4 Ų | 123.4 | 72.5 Ų | 72.5 | 66% | 0.66 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -100.7 | -11.9 | 179.4 | -62.6 | -20.3 | 0 | 0 | 0 | 113 | R1716 Q1717 S1718 E1722 M1724 | R1716-N1720 PolarHBondContact O-N 3.14Å; R1716-N1720 VanDerWaalsContact O-N 3.08Å; R1716-N1720 PolarHBondContact O-OD1 3.49Å; Q1717-N1720 WeakPolarHBondContact O-CB 3.5Å; Q1717-N1720 PolarHBondContact O-N 3.23Å; Q1717-N1720 VanDerWaalsContact O-N 3.11Å; S1718-N1720 VanDerWaalsContact C-N 3.31Å; N1720-E1722 PolarHBondContact O-N 3.29Å; N1720-M1724 WeakPolarHBondContact O-CB 3.4Å; N1720-M1724 PolarHBondContact O-N 3.13Å |
| 1721 | D | 80.2 | Confident | 70.2 | Confident | 65.4 Ų | 65.4 | 70.7 Ų | 70.7 | 35% | 0.35 | 36% | 0.36 | S | S | . | . | trans | -86 | 83.8 | -179.9 | -160.7 | -17.5 | 0 | 0 | 0 | 111.5 | Q1717 I1719 E1723 M1724 K1725 | Q1717-D1721 PolarHBondContact O-N 2.92Å; Q1717-D1721 VanDerWaalsContact O-N 3.11Å; I1719-D1721 VanDerWaalsContact C-N 3.28Å; I1719-D1721 PolarHBondContact O-N 3.25Å; D1721-E1723 VanDerWaalsContact C-N 3.34Å; D1721-E1723 PolarHBondContact O-N 3.34Å; D1721-E1723 PolarHBondContact OD1-N 3.17Å; D1721-E1723 VanDerWaalsContact OD1-N 3.13Å; D1721-M1724 HydrophobicContact CB-CB 4.11Å; D1721-M1724 HydrophobicContact CB-CE 4.11Å; D1721-M1724 VanDerWaalsContact CG-CB 3.41Å; D1721-M1724 PolarHBondContact OD1-N 3.18Å; D1721-M1724 VanDerWaalsContact OD2-CB 3.27Å; D1721-M1724 WeakPolarHBondContact OD2-CB 3.38Å; D1721-K1725 WeakPolarHBondContact O-CB 3.36Å; D1721-K1725 VanDerWaalsContact O-CG 3.31Å; D1721-K1725 WeakPolarHBondContact O-CG 3.32Å; D1721-K1725 PolarHBondContact O-N 3.14Å | ||
| 1722 | E | 84.4 | Confident | 73 | Confident | 106.8 Ų | 106.8 | 68.4 Ų | 68.4 | 50% | 0.499 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -71 | -27.1 | 178.5 | -68.2 | -58.2 | 142.4 | 0 | 0 | 113.6 | S1718 I1719 N1720 K1725 Q1726 | S1718-E1722 PolarHBondContact O-N 3.31Å; I1719-E1722 PolarHBondContact O-N 3.35Å; N1720-E1722 PolarHBondContact O-N 3.29Å; E1722-K1725 WeakPolarHBondContact OE1-CD 3.07Å; E1722-K1725 IonicContact OE1-NZ 3.19Å; E1722-K1725 PolarHBondContact OE1-NZ 3.06Å; E1722-K1725 WeakPolarHBondContact OE2-CD 3.35Å; E1722-K1725 IonicContact OE2-NZ 3.59Å; E1722-K1725 PolarHBondContact OE2-NZ 3.16Å; E1722-Q1726 WeakPolarHBondContact O-CB 3.34Å; E1722-Q1726 VanDerWaalsContact O-CG 3.29Å; E1722-Q1726 WeakPolarHBondContact O-CG 3.34Å; E1722-Q1726 PolarHBondContact O-N 3.15Å; E1722-Q1726 VanDerWaalsContact O-N 3.09Å |
| 1723 | E | 85.7 | Confident | 75.5 | Confident | 157.6 Ų | 157.6 | 64.5 Ų | 64.5 | 74% | 0.736 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -71.4 | -47.3 | 175.9 | -137.4 | 177.8 | -178.9 | 0 | 0 | 110.3 | I1719 D1721 K1725 Q1726 H1727 | I1719-E1723 WeakPolarHBondContact O-CG 3.49Å; I1719-E1723 PolarHBondContact O-N 3.34Å; D1721-E1723 VanDerWaalsContact C-N 3.34Å; D1721-E1723 PolarHBondContact O-N 3.34Å; D1721-E1723 PolarHBondContact OD1-N 3.17Å; D1721-E1723 VanDerWaalsContact OD1-N 3.13Å; E1723-K1725 VanDerWaalsContact C-N 3.35Å; E1723-K1725 PolarHBondContact O-N 3.19Å; E1723-Q1726 PolarHBondContact O-N 3.14Å; E1723-H1727 PolarHBondContact O-N 3.18Å |
| 1724 | M | 86.4 | Confident | 77.7 | Confident | 39.8 Ų | 39.8 | 62.8 Ų | 62.8 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 173.2 | 179.9 | 168.9 | 52.4 | 0 | 0 | 111.3 | N1720 D1721 Q1726 H1727 V1728 A2005 V2009 C2013 | N1720-M1724 WeakPolarHBondContact O-CB 3.4Å; N1720-M1724 PolarHBondContact O-N 3.13Å; D1721-M1724 HydrophobicContact CB-CB 4.11Å; D1721-M1724 HydrophobicContact CB-CE 4.11Å; D1721-M1724 VanDerWaalsContact CG-CB 3.41Å; D1721-M1724 PolarHBondContact OD1-N 3.18Å; D1721-M1724 VanDerWaalsContact OD2-CB 3.27Å; D1721-M1724 WeakPolarHBondContact OD2-CB 3.38Å; M1724-Q1726 VanDerWaalsContact C-N 3.33Å; M1724-Q1726 PolarHBondContact O-N 2.97Å; M1724-H1727 WeakPolarHBondContact O-CB 3.27Å; M1724-H1727 PolarHBondContact O-N 3.22Å; M1724-H1727 VanDerWaalsContact O-N 3.12Å; M1724-V1728 HydrophobicContact CG-CG2 3.97Å; M1724-V1728 WeakPolarHBondContact O-CB 3.33Å; M1724-V1728 VanDerWaalsContact O-CG2 3.24Å; M1724-V1728 WeakPolarHBondContact O-CG2 3.31Å; M1724-V1728 PolarHBondContact O-N 3.14Å; M1724-A2005 HydrophobicContact SD-CB 4.18Å; M1724-V2009 HydrophobicContact CE-CG1 4.37Å; M1724-V2009 HydrophobicContact SD-CG1 3.77Å; M1724-C2013 HydrophobicContact CE-CB 4.21Å; M1724-C2013 HydrophobicContact CG-CB 4.44Å; M1724-C2013 HydrophobicContact SD-CB 4.25Å |
| 1725 | K | 89.9 | Confident | 79.9 | Confident | 33.4 Ų | 33.4 | 58.6 Ų | 58.6 | 15% | 0.145 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.2 | -47.4 | 175.1 | -95.4 | 175.8 | -175.6 | -173.7 | 0 | 112.1 | I1719 D1721 E1722 E1723 H1727 V1728 Y1729 F1841 N2017 | I1719-K1725 WeakPolarHBondContact O-CE 3.41Å; I1719-K1725 PolarHBondContact O-NZ 3.18Å; D1721-K1725 WeakPolarHBondContact O-CB 3.36Å; D1721-K1725 VanDerWaalsContact O-CG 3.31Å; D1721-K1725 WeakPolarHBondContact O-CG 3.32Å; D1721-K1725 PolarHBondContact O-N 3.14Å; E1722-K1725 WeakPolarHBondContact OE1-CD 3.07Å; E1722-K1725 IonicContact OE1-NZ 3.19Å; E1722-K1725 PolarHBondContact OE1-NZ 3.06Å; E1722-K1725 WeakPolarHBondContact OE2-CD 3.35Å; E1722-K1725 IonicContact OE2-NZ 3.59Å; E1722-K1725 PolarHBondContact OE2-NZ 3.16Å; E1723-K1725 VanDerWaalsContact C-N 3.35Å; E1723-K1725 PolarHBondContact O-N 3.19Å; K1725-H1727 VanDerWaalsContact C-N 3.31Å; K1725-H1727 PolarHBondContact O-N 3.22Å; K1725-V1728 PolarHBondContact O-N 3.05Å; K1725-Y1729 VanDerWaalsContact O-CB 3.26Å; K1725-Y1729 WeakPolarHBondContact O-CB 3.25Å; K1725-Y1729 PolarHBondContact O-N 3.14Å; K1725-F1841 HydrophobicContact CB-CD1 4.01Å; K1725-F1841 HydrophobicContact CB-CE1 4.08Å; K1725-F1841 HydrophobicContact CG-CD1 4.31Å; K1725-F1841 HydrophobicContact CG-CE1 4.19Å; K1725-F1841 WeakPolarHBondContact O-CE1 3.32Å; K1725-N2017 VanDerWaalsContact CE-OD1 3.31Å; K1725-N2017 WeakPolarHBondContact CE-OD1 3.24Å |
| 1726 | Q | 88.6 | Confident | 82.1 | Confident | 111 Ų | 111 | 54.3 Ų | 54.3 | 52% | 0.519 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.6 | -33.6 | 179.1 | -105.6 | -175.5 | 72.9 | 0 | 0 | 112.6 | E1722 E1723 M1724 K1730 | E1722-Q1726 WeakPolarHBondContact O-CB 3.34Å; E1722-Q1726 VanDerWaalsContact O-CG 3.29Å; E1722-Q1726 WeakPolarHBondContact O-CG 3.34Å; E1722-Q1726 PolarHBondContact O-N 3.15Å; E1722-Q1726 VanDerWaalsContact O-N 3.09Å; E1723-Q1726 PolarHBondContact O-N 3.14Å; M1724-Q1726 VanDerWaalsContact C-N 3.33Å; M1724-Q1726 PolarHBondContact O-N 2.97Å; Q1726-K1730 VanDerWaalsContact O-CD 3.27Å; Q1726-K1730 WeakPolarHBondContact O-CD 3.26Å; Q1726-K1730 WeakPolarHBondContact O-CE 3.41Å; Q1726-K1730 VanDerWaalsContact O-CG 3.31Å; Q1726-K1730 WeakPolarHBondContact O-CG 3.32Å; Q1726-K1730 PolarHBondContact O-N 3.03Å; Q1726-K1730 VanDerWaalsContact O-N 3.07Å |
| 1727 | H | 88.9 | Confident | 84 | Confident | 52.8 Ų | 52.8 | 52.1 Ų | 52.1 | 24% | 0.244 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.2 | -51.3 | 172.6 | -176.2 | 91.6 | 0 | 0 | 0 | 111.7 | E1723 M1724 K1725 Y1729 K1730 K1731 V2004 Q2010 | E1723-H1727 PolarHBondContact O-N 3.18Å; M1724-H1727 WeakPolarHBondContact O-CB 3.27Å; M1724-H1727 PolarHBondContact O-N 3.22Å; M1724-H1727 VanDerWaalsContact O-N 3.12Å; K1725-H1727 VanDerWaalsContact C-N 3.31Å; K1725-H1727 PolarHBondContact O-N 3.22Å; H1727-Y1729 VanDerWaalsContact C-N 3.32Å; H1727-Y1729 PolarHBondContact O-N 2.97Å; H1727-K1730 WeakPolarHBondContact O-CB 3.22Å; H1727-K1730 PolarHBondContact O-N 3.2Å; H1727-K1730 VanDerWaalsContact O-N 3.13Å; H1727-K1731 VanDerWaalsContact CE1-CE 3.41Å; H1727-K1731 WeakPolarHBondContact CE1-CE 3.43Å; H1727-K1731 VanDerWaalsContact NE2-CE 3.29Å; H1727-K1731 WeakPolarHBondContact NE2-CE 3.31Å; H1727-K1731 VanDerWaalsContact NE2-CG 3.33Å; H1727-K1731 WeakPolarHBondContact NE2-CG 3.45Å; H1727-K1731 WeakPolarHBondContact O-CG 3.38Å; H1727-K1731 PolarHBondContact O-N 3Å; H1727-V2004 VanDerWaalsContact CE1-CG1 3.45Å; H1727-V2004 WeakPolarHBondContact CE1-CG1 3.34Å; H1727-V2004 VanDerWaalsContact CE1-CG2 3.45Å; H1727-V2004 WeakPolarHBondContact CE1-CG2 3.48Å; H1727-V2004 VanDerWaalsContact NE2-CG1 3.3Å; H1727-V2004 WeakPolarHBondContact NE2-CG1 3.41Å; H1727-Q2010 PolarHBondContact CD2-NE2 3.24Å; H1727-Q2010 PolarHBondContact NE2-NE2 3.29Å |
| 1728 | V | 92.4 | Very high | 85.6 | Confident | 13.4 Ų | 13.4 | 45.7 Ų | 45.7 | 8% | 0.081 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.7 | -46.3 | 179.2 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | M1724 K1725 K1730 K1731 T1732 F1841 Q2010 C2013 L2014 | M1724-V1728 HydrophobicContact CG-CG2 3.97Å; M1724-V1728 WeakPolarHBondContact O-CB 3.33Å; M1724-V1728 VanDerWaalsContact O-CG2 3.24Å; M1724-V1728 WeakPolarHBondContact O-CG2 3.31Å; M1724-V1728 PolarHBondContact O-N 3.14Å; K1725-V1728 PolarHBondContact O-N 3.05Å; V1728-K1730 VanDerWaalsContact C-N 3.31Å; V1728-K1730 PolarHBondContact O-N 3.17Å; V1728-K1731 CarbonylContact O-C 3.47Å; V1728-K1731 PolarHBondContact O-N 3.23Å; V1728-K1731 VanDerWaalsContact O-N 3.11Å; V1728-T1732 WeakPolarHBondContact O-CB 3.33Å; V1728-T1732 PolarHBondContact O-N 3.15Å; V1728-T1732 PolarHBondContact O-OG1 3.26Å; V1728-F1841 HydrophobicContact CB-CE1 4.45Å; V1728-F1841 HydrophobicContact CB-CZ 4.46Å; V1728-F1841 HydrophobicContact CG1-CE1 4.33Å; V1728-F1841 HydrophobicContact CG1-CZ 3.88Å; V1728-Q2010 HydrophobicContact CG2-CB 3.75Å; V1728-Q2010 HydrophobicContact CG2-CG 3.89Å; V1728-C2013 HydrophobicContact CG2-CB 4.09Å; V1728-L2014 HydrophobicContact CG1-CB 3.84Å; V1728-L2014 HydrophobicContact CG1-CD1 4.45Å |
| 1729 | Y | 93.7 | Very high | 87 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -53 | -48.6 | 174 | 169.9 | -98.1 | 0 | 0 | 0 | 112.6 | K1725 H1727 K1731 T1732 L1733 L1837 F1841 V1843 H1848 N1851 | K1725-Y1729 VanDerWaalsContact O-CB 3.26Å; K1725-Y1729 WeakPolarHBondContact O-CB 3.25Å; K1725-Y1729 PolarHBondContact O-N 3.14Å; H1727-Y1729 VanDerWaalsContact C-N 3.32Å; H1727-Y1729 PolarHBondContact O-N 2.97Å; Y1729-K1731 VanDerWaalsContact C-N 3.34Å; Y1729-K1731 PolarHBondContact O-N 3.1Å; Y1729-T1732 PolarHBondContact O-N 3.09Å; Y1729-L1733 HydrophobicContact CD1-CD1 4.28Å; Y1729-L1733 HydrophobicContact CE1-CD1 3.58Å; Y1729-L1733 VanDerWaalsContact CE1-CD1 3.47Å; Y1729-L1733 HydrophobicContact CE1-CG 4.37Å; Y1729-L1733 HydrophobicContact CE2-CD1 4.35Å; Y1729-L1733 HydrophobicContact CE2-CG 4.4Å; Y1729-L1733 PolarHBondContact O-N 3.04Å; Y1729-L1837 HydrophobicContact CD2-CD1 4.47Å; Y1729-L1837 HydrophobicContact CD2-CD2 4.2Å; Y1729-L1837 HydrophobicContact CD2-CG 3.89Å; Y1729-L1837 HydrophobicContact CE2-CD2 4.26Å; Y1729-L1837 HydrophobicContact CE2-CG 4Å; Y1729-L1837 WeakPolarHBondContact CE2-O 3.42Å; Y1729-F1841 HydrophobicContact CD2-CB 3.69Å; Y1729-F1841 AromaticContact CD2-CD2 3.88Å; Y1729-F1841 HydrophobicContact CD2-CD2 3.88Å; Y1729-F1841 AromaticContact CD2-CG 3.84Å; Y1729-F1841 HydrophobicContact CD2-CG 3.84Å; Y1729-F1841 HydrophobicContact CE2-CB 4.27Å; Y1729-F1841 HydrophobicContact CG-CB 4.26Å; Y1729-F1841 HydrophobicContact CG-CG 4.27Å; Y1729-V1843 HydrophobicContact CD1-CG2 4.42Å; Y1729-V1843 HydrophobicContact CD2-CG2 4.08Å; Y1729-V1843 HydrophobicContact CE1-CG1 4.35Å; Y1729-V1843 HydrophobicContact CE1-CG2 4.22Å; Y1729-V1843 HydrophobicContact CE2-CB 4.35Å; Y1729-V1843 HydrophobicContact CE2-CG2 3.84Å; Y1729-V1843 HydrophobicContact CG-CG2 4.36Å; Y1729-H1848 AromaticContact CZ-ND1 3.97Å; Y1729-H1848 WeakPolarHBondContact OH-CA 3.26Å; Y1729-H1848 WeakPolarHBondContact OH-CB 3.35Å; Y1729-H1848 PolarHBondContact OH-ND1 2.91Å; Y1729-N1851 HydrophobicContact CE1-CB 3.97Å; Y1729-N1851 WeakPolarHBondContact CE1-ND2 3.35Å |
| 1730 | K | 92 | Very high | 87.9 | Confident | 71.8 Ų | 71.8 | 45.4 Ų | 45.4 | 31% | 0.312 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.5 | -40.3 | 178.1 | -70.6 | 171.6 | -175.8 | 176.8 | 0 | 112.3 | Q1726 H1727 V1728 T1732 L1733 Q1734 N1851 | Q1726-K1730 VanDerWaalsContact O-CD 3.27Å; Q1726-K1730 WeakPolarHBondContact O-CD 3.26Å; Q1726-K1730 WeakPolarHBondContact O-CE 3.41Å; Q1726-K1730 VanDerWaalsContact O-CG 3.31Å; Q1726-K1730 WeakPolarHBondContact O-CG 3.32Å; Q1726-K1730 PolarHBondContact O-N 3.03Å; Q1726-K1730 VanDerWaalsContact O-N 3.07Å; H1727-K1730 WeakPolarHBondContact O-CB 3.22Å; H1727-K1730 PolarHBondContact O-N 3.2Å; H1727-K1730 VanDerWaalsContact O-N 3.13Å; V1728-K1730 VanDerWaalsContact C-N 3.31Å; V1728-K1730 PolarHBondContact O-N 3.17Å; K1730-T1732 VanDerWaalsContact C-N 3.34Å; K1730-L1733 PolarHBondContact O-N 2.98Å; K1730-Q1734 WeakPolarHBondContact O-CG 3.32Å; K1730-Q1734 PolarHBondContact O-N 3.13Å; K1730-Q1734 VanDerWaalsContact O-N 3.11Å; K1730-N1851 WeakPolarHBondContact CE-OD1 3.27Å |
| 1731 | K | 90.9 | Very high | 88.4 | Confident | 31 Ų | 31 | 42.8 Ų | 42.8 | 14% | 0.135 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.8 | -35.1 | 175.2 | -70.4 | -66.2 | -175.3 | -175 | 0 | 112.5 | H1727 V1728 Y1729 Q1734 A1735 E2001 Y2007 F2060 Y2064 | H1727-K1731 VanDerWaalsContact CE1-CE 3.41Å; H1727-K1731 WeakPolarHBondContact CE1-CE 3.43Å; H1727-K1731 VanDerWaalsContact NE2-CE 3.29Å; H1727-K1731 WeakPolarHBondContact NE2-CE 3.31Å; H1727-K1731 VanDerWaalsContact NE2-CG 3.33Å; H1727-K1731 WeakPolarHBondContact NE2-CG 3.45Å; H1727-K1731 WeakPolarHBondContact O-CG 3.38Å; H1727-K1731 PolarHBondContact O-N 3Å; V1728-K1731 CarbonylContact O-C 3.47Å; V1728-K1731 PolarHBondContact O-N 3.23Å; V1728-K1731 VanDerWaalsContact O-N 3.11Å; Y1729-K1731 VanDerWaalsContact C-N 3.34Å; Y1729-K1731 PolarHBondContact O-N 3.1Å; K1731-Q1734 PolarHBondContact O-N 3.18Å; K1731-A1735 WeakPolarHBondContact O-CB 3.41Å; K1731-A1735 PolarHBondContact O-N 3.07Å; K1731-A1735 VanDerWaalsContact O-N 3.13Å; K1731-E2001 VanDerWaalsContact CE-OE1 3.27Å; K1731-E2001 WeakPolarHBondContact CE-OE1 3.28Å; K1731-E2001 IonicContact NZ-OE1 2.75Å; K1731-E2001 PolarHBondContact NZ-OE1 3.18Å; K1731-E2001 IonicContact NZ-OE2 3.24Å; K1731-E2001 PolarHBondContact NZ-OE2 3.13Å; K1731-Y2007 HydrophobicContact CD-CE1 4.39Å; K1731-F2060 HydrophobicContact CB-CE2 4.18Å; K1731-Y2064 HydrophobicContact CB-CE2 4.32Å; K1731-Y2064 PolarHBondContact O-OH 3.22Å |
| 1732 | T | 94.1 | Very high | 87.9 | Confident | 8.2 Ų | 8.2 | 42.9 Ų | 42.9 | 5% | 0.05 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70 | -41.8 | 175.1 | -51.7 | 0 | 0 | 0 | 0 | 111.2 | V1728 Y1729 K1730 Q1734 A1735 L1736 L1837 L2014 I2056 F2060 | V1728-T1732 WeakPolarHBondContact O-CB 3.33Å; V1728-T1732 PolarHBondContact O-N 3.15Å; V1728-T1732 PolarHBondContact O-OG1 3.26Å; Y1729-T1732 PolarHBondContact O-N 3.09Å; K1730-T1732 VanDerWaalsContact C-N 3.34Å; T1732-Q1734 VanDerWaalsContact C-N 3.31Å; T1732-Q1734 PolarHBondContact O-N 3.18Å; T1732-A1735 WeakPolarHBondContact O-CA 3.2Å; T1732-A1735 WeakPolarHBondContact O-CB 3.29Å; T1732-A1735 PolarHBondContact O-N 3.11Å; T1732-L1736 HydrophobicContact CG2-CD1 3.99Å; T1732-L1736 HydrophobicContact CG2-CG 4.26Å; T1732-L1736 WeakPolarHBondContact O-CB 3.49Å; T1732-L1736 VanDerWaalsContact O-CG 3.3Å; T1732-L1736 WeakPolarHBondContact O-CG 3.29Å; T1732-L1736 PolarHBondContact O-N 2.97Å; T1732-L1837 HydrophobicContact CG2-CD1 3.69Å; T1732-L1837 HydrophobicContact CG2-CD2 3.81Å; T1732-L1837 HydrophobicContact CG2-CG 4.42Å; T1732-L2014 HydrophobicContact CG2-CD1 4.13Å; T1732-L2014 HydrophobicContact CG2-CD2 4.07Å; T1732-I2056 HydrophobicContact CG2-CG2 3.66Å; T1732-F2060 HydrophobicContact CG2-CD2 4.28Å; T1732-F2060 VanDerWaalsContact OG1-CD2 3.26Å; T1732-F2060 WeakPolarHBondContact OG1-CD2 3.36Å; T1732-F2060 WeakPolarHBondContact OG1-CE2 3.29Å |
| 1733 | L | 93.7 | Very high | 87.3 | Confident | 0.2 Ų | 0.2 | 39.9 Ų | 39.9 | 0% | 0.001 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55 | -47.1 | 170.4 | -78.4 | 176.4 | 0 | 0 | 0 | 111.9 | Y1729 K1730 A1735 L1736 L1737 F1834 L1837 N1851 L1852 A1855 | Y1729-L1733 HydrophobicContact CD1-CD1 4.28Å; Y1729-L1733 HydrophobicContact CE1-CD1 3.58Å; Y1729-L1733 VanDerWaalsContact CE1-CD1 3.47Å; Y1729-L1733 HydrophobicContact CE1-CG 4.37Å; Y1729-L1733 HydrophobicContact CE2-CD1 4.35Å; Y1729-L1733 HydrophobicContact CE2-CG 4.4Å; Y1729-L1733 PolarHBondContact O-N 3.04Å; K1730-L1733 PolarHBondContact O-N 2.98Å; L1733-A1735 VanDerWaalsContact C-N 3.34Å; L1733-A1735 PolarHBondContact O-N 2.91Å; L1733-L1736 PolarHBondContact O-N 3.3Å; L1733-L1737 VanDerWaalsContact O-CB 3.24Å; L1733-L1737 WeakPolarHBondContact O-CB 3.38Å; L1733-L1737 WeakPolarHBondContact O-CG 3.35Å; L1733-L1737 PolarHBondContact O-N 2.92Å; L1733-F1834 HydrophobicContact CD2-CD1 4.05Å; L1733-L1837 HydrophobicContact CD2-CD2 3.79Å; L1733-L1837 HydrophobicContact CG-CD2 3.84Å; L1733-N1851 HydrophobicContact CD1-CB 3.84Å; L1733-L1852 HydrophobicContact CD2-CD1 3.98Å; L1733-A1855 HydrophobicContact CB-CB 4.08Å |
| 1734 | Q | 91.1 | Very high | 86.8 | Confident | 30.2 Ų | 30.2 | 34.6 Ų | 34.6 | 14% | 0.141 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.7 | -27.9 | 176.6 | -71.7 | 179.4 | -1.1 | 0 | 0 | 113.4 | K1730 K1731 T1732 Y1738 A1855 S1858 R2063 | K1730-Q1734 WeakPolarHBondContact O-CG 3.32Å; K1730-Q1734 PolarHBondContact O-N 3.13Å; K1730-Q1734 VanDerWaalsContact O-N 3.11Å; K1731-Q1734 PolarHBondContact O-N 3.18Å; T1732-Q1734 VanDerWaalsContact C-N 3.31Å; T1732-Q1734 PolarHBondContact O-N 3.18Å; Q1734-Y1738 PolarHBondContact O-N 3.24Å; Q1734-A1855 HydrophobicContact CG-CB 3.89Å; Q1734-S1858 PolarHBondContact NE2-OG 3.33Å; Q1734-R2063 PolarHBondContact O-NE 3.27Å; Q1734-R2063 PolarHBondContact O-NH2 2.91Å; Q1734-R2063 VanDerWaalsContact O-NH2 3.11Å |
| 1735 | A | 90.5 | Very high | 86.6 | Confident | 12.4 Ų | 12.4 | 37.8 Ų | 37.8 | 10% | 0.102 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -80.3 | -39.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K1731 T1732 L1733 Y1738 P1739 R2063 Y2064 | K1731-A1735 WeakPolarHBondContact O-CB 3.41Å; K1731-A1735 PolarHBondContact O-N 3.07Å; K1731-A1735 VanDerWaalsContact O-N 3.13Å; T1732-A1735 WeakPolarHBondContact O-CA 3.2Å; T1732-A1735 WeakPolarHBondContact O-CB 3.29Å; T1732-A1735 PolarHBondContact O-N 3.11Å; L1733-A1735 VanDerWaalsContact C-N 3.34Å; L1733-A1735 PolarHBondContact O-N 2.91Å; A1735-Y1738 CarbonylContact O-C 3.56Å; A1735-P1739 VanDerWaalsContact O-CA 3.3Å; A1735-P1739 WeakPolarHBondContact O-CA 3.35Å; A1735-R2063 VanDerWaalsContact CA-CD 3.42Å; A1735-R2063 HydrophobicContact CB-CB 4.4Å; A1735-R2063 VanDerWaalsContact CB-CD 3.45Å; A1735-Y2064 HydrophobicContact CB-CE2 4.13Å |
| 1736 | L | 92.6 | Very high | 86.4 | Confident | 10.2 Ų | 10.2 | 37.4 Ų | 37.4 | 5% | 0.053 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -78.4 | -29.8 | -178.4 | -61.5 | 176.1 | 0 | 0 | 0 | 113.4 | T1732 L1733 L1833 F1834 L1837 I2056 E2059 | T1732-L1736 HydrophobicContact CG2-CD1 3.99Å; T1732-L1736 HydrophobicContact CG2-CG 4.26Å; T1732-L1736 WeakPolarHBondContact O-CB 3.49Å; T1732-L1736 VanDerWaalsContact O-CG 3.3Å; T1732-L1736 WeakPolarHBondContact O-CG 3.29Å; T1732-L1736 PolarHBondContact O-N 2.97Å; L1733-L1736 PolarHBondContact O-N 3.3Å; L1736-L1833 HydrophobicContact CD1-CB 4.42Å; L1736-L1833 HydrophobicContact CD2-CB 4.36Å; L1736-L1833 HydrophobicContact CD2-CD1 4.45Å; L1736-L1833 HydrophobicContact CD2-CD2 4.19Å; L1736-F1834 HydrophobicContact CB-CD1 4.34Å; L1736-F1834 HydrophobicContact CB-CE1 3.73Å; L1736-F1834 HydrophobicContact CB-CZ 4.08Å; L1736-L1837 HydrophobicContact CD1-CD2 4.03Å; L1736-I2056 HydrophobicContact CD1-CG1 4.01Å; L1736-I2056 HydrophobicContact CD1-CG2 4.33Å; L1736-I2056 HydrophobicContact CD2-CB 4.35Å; L1736-I2056 HydrophobicContact CD2-CG1 4.24Å; L1736-I2056 HydrophobicContact CD2-CG2 4.45Å; L1736-E2059 HydrophobicContact CD2-CB 4.14Å; L1736-E2059 HydrophobicContact CD2-CG 4.32Å |
| 1737 | L | 91.8 | Very high | 86.5 | Confident | 2.2 Ų | 2.2 | 36.1 Ų | 36.1 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.6 | -34.8 | 179 | -137.4 | 100 | 0 | 0 | 0 | 112.8 | L1733 M1823 I1827 F1834 L1852 A1855 E1856 I1859 | L1733-L1737 VanDerWaalsContact O-CB 3.24Å; L1733-L1737 WeakPolarHBondContact O-CB 3.38Å; L1733-L1737 WeakPolarHBondContact O-CG 3.35Å; L1733-L1737 PolarHBondContact O-N 2.92Å; L1737-M1823 HydrophobicContact CB-CG 4.42Å; L1737-M1823 HydrophobicContact CB-SD 4.34Å; L1737-M1823 HydrophobicContact CD1-CB 3.8Å; L1737-M1823 HydrophobicContact CD1-CG 4.27Å; L1737-M1823 HydrophobicContact CD2-SD 4.2Å; L1737-M1823 HydrophobicContact CG-CB 3.97Å; L1737-M1823 HydrophobicContact CG-CG 3.9Å; L1737-M1823 HydrophobicContact CG-SD 4.1Å; L1737-M1823 WeakPolarHBondContact O-CG 3.3Å; L1737-I1827 HydrophobicContact CD1-CD1 3.59Å; L1737-I1827 HydrophobicContact CD1-CG1 3.7Å; L1737-I1827 HydrophobicContact CD2-CD1 3.67Å; L1737-I1827 HydrophobicContact CD2-CG1 3.75Å; L1737-F1834 HydrophobicContact CB-CE1 4.24Å; L1737-F1834 HydrophobicContact CD1-CE1 4.27Å; L1737-F1834 HydrophobicContact CD1-CZ 4.27Å; L1737-F1834 HydrophobicContact CD2-CE1 3.74Å; L1737-F1834 HydrophobicContact CD2-CZ 4.04Å; L1737-F1834 HydrophobicContact CG-CE1 3.91Å; L1737-F1834 HydrophobicContact CG-CZ 4.48Å; L1737-L1852 HydrophobicContact CD1-CD1 4.24Å; L1737-L1852 HydrophobicContact CD2-CD1 3.96Å; L1737-L1852 HydrophobicContact CD2-CG 4.33Å; L1737-L1852 HydrophobicContact CG-CD1 4.2Å; L1737-A1855 HydrophobicContact CD1-CB 3.58Å; L1737-A1855 HydrophobicContact CD2-CB 4.25Å; L1737-E1856 HydrophobicContact CD2-CB 3.92Å; L1737-E1856 HydrophobicContact CD2-CG 4.36Å; L1737-I1859 HydrophobicContact CB-CD1 3.98Å; L1737-I1859 HydrophobicContact CD1-CD1 4.27Å; L1737-I1859 HydrophobicContact CD2-CD1 4.21Å; L1737-I1859 HydrophobicContact CG-CD1 4.36Å |
| 1738 | Y | 88.6 | Confident | 86.7 | Confident | 19.2 Ų | 19.2 | 34.9 Ų | 34.9 | 8% | 0.075 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -135.1 | 77.3 | 176.2 | -160.7 | -105.8 | 0 | 0 | 0 | 110.5 | Q1734 A1735 D1794 I1819 L1822 M1823 I1859 | Q1734-Y1738 PolarHBondContact O-N 3.24Å; A1735-Y1738 CarbonylContact O-C 3.56Å; Y1738-D1794 WeakPolarHBondContact CE1-OD2 3.38Å; Y1738-D1794 VanDerWaalsContact OH-CG 3.28Å; Y1738-D1794 PolarHBondContact OH-OD1 3.24Å; Y1738-D1794 PolarHBondContact OH-OD2 3.04Å; Y1738-D1794 VanDerWaalsContact OH-OD2 3.14Å; Y1738-I1819 HydrophobicContact CD2-CG2 4.19Å; Y1738-I1819 HydrophobicContact CE2-CG1 4.49Å; Y1738-I1819 HydrophobicContact CE2-CG2 3.93Å; Y1738-L1822 HydrophobicContact CE2-CD1 4.45Å; Y1738-M1823 HydrophobicContact CD2-CE 3.98Å; Y1738-M1823 HydrophobicContact CD2-CG 4.26Å; Y1738-M1823 HydrophobicContact CG-CE 4.22Å; Y1738-I1859 HydrophobicContact CD1-CG2 4.38Å; Y1738-I1859 HydrophobicContact CG-CG2 4.14Å |
| 1739 | P | 86.4 | Confident | 86.7 | Confident | 11.4 Ų | 11.4 | 39.9 Ų | 39.9 | 7% | 0.074 | 22% | 0.22 | C | C | . | . | trans | -78 | 141.6 | -171.3 | 29.1 | -32.8 | 0 | 0 | 0 | 112.7 | A1735 S1741 S1742 E2059 | A1735-P1739 VanDerWaalsContact O-CA 3.3Å; A1735-P1739 WeakPolarHBondContact O-CA 3.35Å; P1739-S1741 VanDerWaalsContact C-N 3.31Å; P1739-S1741 PolarHBondContact O-N 3.08Å; P1739-S1741 VanDerWaalsContact O-N 3.11Å; P1739-S1742 PolarHBondContact O-N 3.14Å; P1739-S1742 VanDerWaalsContact O-N 3.1Å; P1739-E2059 WeakPolarHBondContact CA-OE2 3.45Å; P1739-E2059 HydrophobicContact CB-CG 4.01Å; P1739-E2059 WeakPolarHBondContact CB-OE1 3.26Å; P1739-E2059 WeakPolarHBondContact CB-OE2 3.34Å | ||
| 1740 | I | 79.7 | Confident | 86.7 | Confident | 49.4 Ų | 49.4 | 44.9 Ų | 44.9 | 25% | 0.253 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -67.8 | -30.7 | -177.4 | -66.3 | -170.4 | 0 | 0 | 0 | 111.6 | S1742 N1743 R1965 E2059 I2062 R2063 | I1740-S1742 PolarHBondContact O-N 3.36Å; I1740-S1742 VanDerWaalsContact O-N 3.11Å; I1740-N1743 WeakPolarHBondContact O-CB 3.38Å; I1740-N1743 PolarHBondContact O-N 3.16Å; I1740-N1743 PolarHBondContact O-ND2 3.01Å; I1740-N1743 PolarHBondContact O-OD1 2.83Å; I1740-R1965 VanDerWaalsContact CD1-NH2 3.34Å; I1740-E2059 PolarHBondContact N-OE2 3.07Å; I1740-E2059 VanDerWaalsContact N-OE2 3.14Å; I1740-I2062 HydrophobicContact CB-CG2 3.86Å; I1740-I2062 HydrophobicContact CG2-CG2 3.73Å; I1740-R2063 HydrophobicContact CD1-CB 4.29Å; I1740-R2063 HydrophobicContact CD1-CG 4.18Å; I1740-R2063 HydrophobicContact CG1-CB 4.39Å; I1740-R2063 HydrophobicContact CG1-CG 4.38Å |
| 1741 | S | 73.7 | Confident | 86.8 | Confident | 70.4 Ų | 70.4 | 43.8 Ų | 43.8 | 49% | 0.492 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -58.5 | -23.4 | 175 | 64.5 | 0 | 0 | 0 | 0 | 114 | P1739 E2059 | P1739-S1741 VanDerWaalsContact C-N 3.31Å; P1739-S1741 PolarHBondContact O-N 3.08Å; P1739-S1741 VanDerWaalsContact O-N 3.11Å; S1741-E2059 WeakPolarHBondContact CB-OE1 3.39Å; S1741-E2059 PolarHBondContact OG-OE1 3.13Å |
| 1742 | S | 70.2 | Confident | 86.9 | Confident | 66.8 Ų | 66.8 | 44.7 Ų | 44.7 | 47% | 0.467 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -112.1 | 16.1 | -175.8 | -60.6 | 0 | 0 | 0 | 0 | 112.3 | P1739 I1740 T1744 R1826 | P1739-S1742 PolarHBondContact O-N 3.14Å; P1739-S1742 VanDerWaalsContact O-N 3.1Å; I1740-S1742 PolarHBondContact O-N 3.36Å; I1740-S1742 VanDerWaalsContact O-N 3.11Å; S1742-T1744 PolarHBondContact O-N 3.31Å; S1742-R1826 PolarHBondContact OG-NH1 3.27Å |
| 1743 | N | 71.4 | Confident | 86.7 | Confident | 43.6 Ų | 43.6 | 44.4 Ų | 44.4 | 23% | 0.233 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 138.9 | 176.8 | -82 | -16 | 0 | 0 | 0 | 111.4 | I1740 P1745 | I1740-N1743 WeakPolarHBondContact O-CB 3.38Å; I1740-N1743 PolarHBondContact O-N 3.16Å; I1740-N1743 PolarHBondContact O-ND2 3.01Å; I1740-N1743 PolarHBondContact O-OD1 2.83Å; N1743-P1745 WeakPolarHBondContact O-CD 3.37Å |
| 1744 | T | 75.9 | Confident | 86.5 | Confident | 46.4 Ų | 46.4 | 50 Ų | 50 | 29% | 0.285 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 122.3 | 179.8 | -64.6 | 0 | 0 | 0 | 0 | 110 | S1742 H1746 C1795 L1796 | S1742-T1744 PolarHBondContact O-N 3.31Å; T1744-H1746 PolarHBondContact O-N 3.1Å; T1744-C1795 VanDerWaalsContact O-CB 3.26Å; T1744-C1795 WeakPolarHBondContact O-CB 3.43Å; T1744-L1796 HydrophobicContact CG2-CD2 4.3Å; T1744-L1796 HydrophobicContact CG2-CG 4.25Å; T1744-L1796 VanDerWaalsContact OG1-CD1 3.27Å; T1744-L1796 WeakPolarHBondContact OG1-CD1 3.4Å; T1744-L1796 WeakPolarHBondContact OG1-CG 3.31Å |
| 1745 | P | 82.1 | Confident | 86.5 | Confident | 107.6 Ų | 107.6 | 50.9 Ų | 50.9 | 70% | 0.699 | 30% | 0.296 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 139.4 | -175.5 | 26 | -34.3 | 0 | 0 | 0 | 111.6 | N1743 N1747 | N1743-P1745 WeakPolarHBondContact O-CD 3.37Å; P1745-N1747 PolarHBondContact O-N 3.32Å |
| 1746 | H | 86.4 | Confident | 86.4 | Confident | 24 Ų | 24 | 53.6 Ų | 53.6 | 11% | 0.111 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 117.8 | 179.1 | -66.5 | -86.1 | 0 | 0 | 0 | 111.5 | T1744 F1748 C1776 C1779 S1793 C1795 | T1744-H1746 PolarHBondContact O-N 3.1Å; H1746-F1748 HydrophobicContact CB-CD2 3.69Å; H1746-F1748 HydrophobicContact CB-CE1 4.41Å; H1746-F1748 HydrophobicContact CB-CE2 3.24Å; H1746-F1748 HydrophobicContact CB-CG 4.46Å; H1746-F1748 HydrophobicContact CB-CZ 3.63Å; H1746-F1748 AromaticContact CG-CE2 3.98Å; H1746-F1748 AromaticContact CG-CZ 4Å; H1746-F1748 VanDerWaalsContact O-CD2 3.3Å; H1746-F1748 WeakPolarHBondContact O-CD2 3.38Å; H1746-F1748 PolarHBondContact O-N 3.04Å; H1746-F1748 VanDerWaalsContact O-N 3.09Å; H1746-C1776 HydrophobicContact CB-CB 4.25Å; H1746-C1779 PolarHBondContact ND1-SG 3.12Å; H1746-S1793 PolarHBondContact CE1-O 3.29Å; H1746-S1793 VanDerWaalsContact CE1-O 3.3Å; H1746-S1793 PolarHBondContact NE2-O 2.98Å; H1746-C1795 PolarHBondContact ND1-SG 2.91Å |
| 1747 | N | 90.8 | Very high | 86.2 | Confident | 83 Ų | 83 | 53.9 Ų | 53.9 | 44% | 0.444 | 31% | 0.314 | S | S | . | . | trans | -74.1 | 90.8 | 173.3 | -177.1 | 21 | 0 | 0 | 0 | 110.4 | P1745 C1776 T1777 | P1745-N1747 PolarHBondContact O-N 3.32Å; N1747-C1776 CarbonylContact O-C 3.51Å; N1747-C1776 VanDerWaalsContact O-CA 3.22Å; N1747-C1776 WeakPolarHBondContact O-CA 3.36Å; N1747-C1776 PolarHBondContact O-SG 3.09Å; N1747-C1776 VanDerWaalsContact O-SG 3.41Å; N1747-T1777 WeakPolarHBondContact CB-OG1 3.44Å; N1747-T1777 WeakPolarHBondContact ND2-CG2 3.49Å; N1747-T1777 PolarHBondContact ND2-OG1 2.94Å; N1747-T1777 VanDerWaalsContact ND2-OG1 3.09Å; N1747-T1777 PolarHBondContact O-N 3.21Å; N1747-T1777 PolarHBondContact O-OG1 3.35Å | ||
| 1748 | F | 92.3 | Very high | 85.9 | Confident | 28.4 Ų | 28.4 | 60.9 Ų | 60.9 | 13% | 0.125 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 136.5 | -175.7 | -79.7 | -65.6 | 0 | 0 | 0 | 113.7 | H1746 L1774 C1776 V1781 R1788 L1791 | H1746-F1748 HydrophobicContact CB-CD2 3.69Å; H1746-F1748 HydrophobicContact CB-CE1 4.41Å; H1746-F1748 HydrophobicContact CB-CE2 3.24Å; H1746-F1748 HydrophobicContact CB-CG 4.46Å; H1746-F1748 HydrophobicContact CB-CZ 3.63Å; H1746-F1748 AromaticContact CG-CE2 3.98Å; H1746-F1748 AromaticContact CG-CZ 4Å; H1746-F1748 VanDerWaalsContact O-CD2 3.3Å; H1746-F1748 WeakPolarHBondContact O-CD2 3.38Å; H1746-F1748 PolarHBondContact O-N 3.04Å; H1746-F1748 VanDerWaalsContact O-N 3.09Å; F1748-L1774 HydrophobicContact CB-CB 4.12Å; F1748-L1774 HydrophobicContact CB-CD1 3.98Å; F1748-L1774 HydrophobicContact CD1-CB 3.55Å; F1748-L1774 HydrophobicContact CD1-CD1 4.35Å; F1748-L1774 HydrophobicContact CD2-CD1 4.43Å; F1748-L1774 HydrophobicContact CE1-CB 4.24Å; F1748-L1774 HydrophobicContact CG-CB 4.01Å; F1748-L1774 HydrophobicContact CG-CD1 4.04Å; F1748-C1776 HydrophobicContact CD1-CB 4.08Å; F1748-C1776 HydrophobicContact CE1-CB 3.9Å; F1748-C1776 HydrophobicContact CZ-CB 4.45Å; F1748-V1781 HydrophobicContact CE1-CG1 3.77Å; F1748-V1781 HydrophobicContact CZ-CG1 3.75Å; F1748-R1788 HydrophobicContact CD2-CG 3.7Å; F1748-R1788 HydrophobicContact CE2-CB 4.5Å; F1748-R1788 HydrophobicContact CE2-CG 3.8Å; F1748-L1791 HydrophobicContact CE1-CD1 4.42Å; F1748-L1791 HydrophobicContact CE2-CD1 4.2Å; F1748-L1791 HydrophobicContact CZ-CD1 3.52Å; F1748-L1791 VanDerWaalsContact CZ-CD1 3.49Å |
| 1749 | Q | 93.5 | Very high | 85.8 | Confident | 118.2 Ų | 118.2 | 60 Ų | 60 | 55% | 0.552 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 149.8 | 169.1 | -65.9 | 180 | -15.6 | 0 | 0 | 110.1 | W1751 L1774 R1775 T1777 | Q1749-W1751 PolarHBondContact O-N 3.01Å; Q1749-L1774 CarbonylContact O-C 3.45Å; Q1749-L1774 WeakPolarHBondContact O-CA 3.39Å; Q1749-R1775 PolarHBondContact N-O 3.19Å; Q1749-R1775 PolarHBondContact O-N 2.82Å; Q1749-T1777 VanDerWaalsContact CD-CG2 3.48Å; Q1749-T1777 HydrophobicContact CG-CG2 4Å |
| 1750 | V | 93.6 | Very high | 85.6 | Confident | 107.6 Ų | 107.6 | 62.6 Ų | 62.6 | 65% | 0.652 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63 | 131.9 | 175 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | Q1772 L1774 | V1750-Q1772 HydrophobicContact CG1-CB 4.48Å; V1750-L1774 HydrophobicContact CG2-CD2 4.13Å |
| 1751 | W | 92.9 | Very high | 85.7 | Confident | 49.8 Ų | 49.8 | 61.3 Ų | 61.3 | 19% | 0.189 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 123.6 | -172 | 176.5 | 72.1 | 0 | 0 | 0 | 111.7 | Q1749 A1753 T1757 L1766 G1773 R1775 K1782 | Q1749-W1751 PolarHBondContact O-N 3.01Å; W1751-A1753 HydrophobicContact CE3-CB 4.41Å; W1751-A1753 VanDerWaalsContact CH2-CA 3.43Å; W1751-A1753 HydrophobicContact CH2-CB 3.45Å; W1751-A1753 VanDerWaalsContact CH2-CB 3.45Å; W1751-A1753 HydrophobicContact CZ2-CB 4.25Å; W1751-A1753 HydrophobicContact CZ3-CB 3.56Å; W1751-T1757 HydrophobicContact CH2-CG2 3.99Å; W1751-T1757 HydrophobicContact CZ3-CG2 4Å; W1751-L1766 HydrophobicContact CZ3-CD1 4.39Å; W1751-G1773 PolarHBondContact N-O 3.39Å; W1751-G1773 PolarHBondContact O-N 2.99Å; W1751-R1775 HydrophobicContact CB-CB 3.5Å; W1751-R1775 VanDerWaalsContact CB-CB 3.45Å; W1751-R1775 HydrophobicContact CD2-CB 4.14Å; W1751-R1775 HydrophobicContact CD2-CG 4.48Å; W1751-R1775 HydrophobicContact CE3-CB 4.48Å; W1751-R1775 HydrophobicContact CG-CB 3.66Å; W1751-R1775 HydrophobicContact CG-CG 4.38Å; W1751-K1782 HydrophobicContact CE3-CD 4.18Å; W1751-K1782 HydrophobicContact CE3-CG 4.31Å; W1751-K1782 HydrophobicContact CH2-CD 3.67Å; W1751-K1782 VanDerWaalsContact CH2-CE 3.44Å; W1751-K1782 HydrophobicContact CH2-CG 4.33Å; W1751-K1782 VanDerWaalsContact CH2-NZ 3.26Å; W1751-K1782 HydrophobicContact CZ2-CD 4.32Å; W1751-K1782 VanDerWaalsContact CZ2-CE 3.48Å; W1751-K1782 HydrophobicContact CZ3-CB 4.35Å; W1751-K1782 HydrophobicContact CZ3-CD 3.57Å; W1751-K1782 VanDerWaalsContact CZ3-CD 3.48Å; W1751-K1782 HydrophobicContact CZ3-CG 4.2Å |
| 1752 | T | 92.9 | Very high | 85.9 | Confident | 49.8 Ų | 49.8 | 60.3 Ų | 60.3 | 31% | 0.306 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 126.8 | 172.4 | -54.9 | 0 | 0 | 0 | 0 | 109.8 | T1754 L1769 Q1772 | T1752-T1754 PolarHBondContact O-N 3.3Å; T1752-L1769 HydrophobicContact CG2-CD2 3.95Å; T1752-Q1772 PolarHBondContact OG1-NE2 3.11Å |
| 1753 | A | 90.2 | Very high | 86.3 | Confident | 1.2 Ų | 1.2 | 59.5 Ų | 59.5 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 112.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | W1751 S1755 L1766 W1767 G1768 | W1751-A1753 HydrophobicContact CE3-CB 4.41Å; W1751-A1753 VanDerWaalsContact CH2-CA 3.43Å; W1751-A1753 HydrophobicContact CH2-CB 3.45Å; W1751-A1753 VanDerWaalsContact CH2-CB 3.45Å; W1751-A1753 HydrophobicContact CZ2-CB 4.25Å; W1751-A1753 HydrophobicContact CZ3-CB 3.56Å; A1753-S1755 PolarHBondContact O-N 2.98Å; A1753-L1766 HydrophobicContact CB-CB 4.18Å; A1753-L1766 VanDerWaalsContact CB-O 3.27Å; A1753-L1766 WeakPolarHBondContact CB-O 3.43Å; A1753-W1767 HydrophobicContact CB-CE3 4.28Å; A1753-W1767 WeakPolarHBondContact O-CZ3 3.45Å; A1753-G1768 PolarHBondContact O-N 2.92Å |
| 1754 | T | 90.7 | Very high | 86.7 | Confident | 118.2 Ų | 118.2 | 58.6 Ų | 58.6 | 73% | 0.725 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | -20.9 | 175.4 | 51.4 | 0 | 0 | 0 | 0 | 113.1 | D1325 T1752 W1767 | D1325-T1754 PolarHBondContact OD1-OG1 2.73Å; T1752-T1754 PolarHBondContact O-N 3.3Å; T1754-W1767 VanDerWaalsContact C-CZ3 3.43Å; T1754-W1767 PolarHBondContact O-NE1 3.32Å; T1754-W1767 VanDerWaalsContact O-NE1 3.12Å |
| 1755 | S | 89.6 | Confident | 87.3 | Confident | 49.8 Ų | 49.8 | 58.9 Ų | 58.9 | 35% | 0.348 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 151.6 | 173.9 | 53.1 | 0 | 0 | 0 | 0 | 110 | D1325 A1753 T1757 W1767 | D1325-S1755 WeakPolarHBondContact OD2-CB 3.33Å; D1325-S1755 PolarHBondContact OD2-OG 2.94Å; A1753-S1755 PolarHBondContact O-N 2.98Å; S1755-T1757 VanDerWaalsContact C-N 3.31Å; S1755-T1757 PolarHBondContact O-N 3.31Å; S1755-T1757 VanDerWaalsContact O-N 3.07Å; S1755-T1757 PolarHBondContact O-OG1 3.31Å; S1755-W1767 VanDerWaalsContact C-CZ3 3.45Å; S1755-W1767 VanDerWaalsContact CA-CZ3 3.46Å |
| 1756 | P | 88.4 | Confident | 87.6 | Confident | 69.2 Ų | 69.2 | 53.8 Ų | 53.8 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.5 | 103.7 | 179.7 | -29.8 | 36.6 | 0 | 0 | 0 | 113.4 | D1325 L1765 W1767 | D1325-P1756 HydrophobicContact CB-CB 4.3Å; P1756-L1765 HydrophobicContact CB-CD1 3.98Å; P1756-W1767 HydrophobicContact CG-CD2 4.19Å; P1756-W1767 HydrophobicContact CG-CE3 4.31Å; P1756-W1767 HydrophobicContact CG-CG 4.31Å; P1756-W1767 HydrophobicContact CG-CZ2 4.36Å |
| 1757 | T | 88.4 | Confident | 87.7 | Confident | 16 Ų | 16 | 59.2 Ų | 59.2 | 10% | 0.098 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 139.1 | -173.8 | -64 | 0 | 0 | 0 | 0 | 110.2 | W1751 S1755 L1766 K1782 | W1751-T1757 HydrophobicContact CH2-CG2 3.99Å; W1751-T1757 HydrophobicContact CZ3-CG2 4Å; S1755-T1757 VanDerWaalsContact C-N 3.31Å; S1755-T1757 PolarHBondContact O-N 3.31Å; S1755-T1757 VanDerWaalsContact O-N 3.07Å; S1755-T1757 PolarHBondContact O-OG1 3.31Å; T1757-L1766 HydrophobicContact CG2-CD1 4.44Å; T1757-L1766 PolarHBondContact N-O 3.19Å; T1757-L1766 VanDerWaalsContact N-O 3.13Å; T1757-L1766 CarbonylContact O-C 3.54Å; T1757-L1766 WeakPolarHBondContact O-CA 3.42Å; T1757-L1766 VanDerWaalsContact O-CB 3.3Å; T1757-L1766 WeakPolarHBondContact O-CB 3.4Å; T1757-L1766 PolarHBondContact O-N 2.94Å; T1757-L1766 VanDerWaalsContact O-O 3.06Å; T1757-K1782 HydrophobicContact CG2-CB 4.49Å; T1757-K1782 HydrophobicContact CG2-CD 3.5Å; T1757-K1782 PolarHBondContact OG1-NZ 3.33Å |
| 1758 | Y | 86.4 | Confident | 87.5 | Confident | 149 Ų | 149 | 56.2 Ų | 56.2 | 58% | 0.584 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 140.3 | 175.6 | -57.1 | -77.2 | 0 | 0 | 0 | 111.5 | Y1760 E1763 L1765 | Y1758-Y1760 PolarHBondContact O-N 3.16Å; Y1758-E1763 VanDerWaalsContact CD1-O 3.24Å; Y1758-E1763 WeakPolarHBondContact CD1-O 3.34Å; Y1758-L1765 HydrophobicContact CD1-CB 4.38Å; Y1758-L1765 HydrophobicContact CD1-CD1 4.39Å; Y1758-L1765 HydrophobicContact CE1-CB 4.26Å; Y1758-L1765 HydrophobicContact CE1-CD1 4.04Å |
| 1759 | C | 86 | Confident | 87.3 | Confident | 1.2 Ų | 1.2 | 61 Ų | 61 | 1% | 0.008 | 32% | 0.324 | C | S | . | . | trans | -59.1 | 128.3 | 170.3 | 170.2 | 0 | 0 | 0 | 0 | 109.9 | E1761 C1762 E1763 G1764 L1766 C1783 H1784 | C1759-E1761 PolarHBondContact O-N 3.09Å; C1759-E1761 VanDerWaalsContact O-N 3.11Å; C1759-E1761 PolarHBondContact SG-N 3.06Å; C1759-C1762 VanDerWaalsContact SG-SG 3.65Å; C1759-E1763 VanDerWaalsContact O-CA 3.26Å; C1759-E1763 WeakPolarHBondContact O-CA 3.34Å; C1759-E1763 PolarHBondContact O-N 2.97Å; C1759-E1763 VanDerWaalsContact O-N 3.09Å; C1759-G1764 WeakPolarHBondContact CB-O 3.35Å; C1759-G1764 PolarHBondContact N-O 3.31Å; C1759-L1766 HydrophobicContact CB-CD1 4.25Å; C1759-L1766 HydrophobicContact CB-CG 4.31Å; C1759-C1783 VanDerWaalsContact SG-CA 3.54Å; C1759-H1784 VanDerWaalsContact CB-CE1 3.46Å; C1759-H1784 WeakPolarHBondContact CB-CE1 3.42Å; C1759-H1784 VanDerWaalsContact CB-ND1 3.31Å; C1759-H1784 WeakPolarHBondContact CB-ND1 3.3Å; C1759-H1784 PolarHBondContact SG-N 3.06Å; C1759-H1784 VanDerWaalsContact SG-N 3.43Å; C1759-H1784 PolarHBondContact SG-ND1 3.08Å; C1759-H1784 VanDerWaalsContact SG-ND1 3.39Å | ||
| 1760 | Y | 83.4 | Confident | 86.7 | Confident | 64.4 Ų | 64.4 | 59.9 Ų | 59.9 | 25% | 0.253 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -29.2 | -178.9 | -176.7 | -96.3 | 0 | 0 | 0 | 113.3 | Y1758 V1781 K1782 L1791 S1793 R1798 S1927 R1929 | Y1758-Y1760 PolarHBondContact O-N 3.16Å; Y1760-V1781 HydrophobicContact CD1-CG2 4.03Å; Y1760-V1781 HydrophobicContact CD2-CG2 4.36Å; Y1760-V1781 HydrophobicContact CG-CG2 3.76Å; Y1760-K1782 WeakPolarHBondContact CB-O 3.39Å; Y1760-K1782 PolarHBondContact N-O 3.21Å; Y1760-L1791 HydrophobicContact CD1-CD2 3.63Å; Y1760-L1791 HydrophobicContact CE1-CD2 4.38Å; Y1760-L1791 HydrophobicContact CG-CD2 4.44Å; Y1760-S1793 WeakPolarHBondContact CE1-OG 3.38Å; Y1760-R1798 VanDerWaalsContact CE1-NH2 3.29Å; Y1760-R1798 VanDerWaalsContact CE2-NH2 3.27Å; Y1760-R1798 VanDerWaalsContact CZ-NH1 3.32Å; Y1760-R1798 VanDerWaalsContact CZ-NH2 3.26Å; Y1760-R1798 PolarHBondContact OH-NH2 2.95Å; Y1760-S1927 PolarHBondContact OH-O 3.22Å; Y1760-S1927 VanDerWaalsContact OH-O 3.09Å; Y1760-R1929 PolarHBondContact O-NH2 3.21Å; Y1760-R1929 VanDerWaalsContact O-NH2 3.14Å |
| 1761 | E | 81.4 | Confident | 86.1 | Confident | 23.2 Ų | 23.2 | 61.7 Ų | 61.7 | 11% | 0.108 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -82 | -176.7 | -159 | 42.8 | -109 | 0 | 0 | 112.2 | C1759 E1763 C1787 L1790 L1791 R1929 K1931 | C1759-E1761 PolarHBondContact O-N 3.09Å; C1759-E1761 VanDerWaalsContact O-N 3.11Å; C1759-E1761 PolarHBondContact SG-N 3.06Å; E1761-E1763 VanDerWaalsContact C-N 3.27Å; E1761-E1763 PolarHBondContact O-N 2.78Å; E1761-C1787 HydrophobicContact CB-CB 3.95Å; E1761-C1787 HydrophobicContact CG-CB 4.33Å; E1761-L1790 HydrophobicContact CG-CB 3.75Å; E1761-L1790 HydrophobicContact CG-CD1 4.32Å; E1761-L1791 HydrophobicContact CB-CD2 4.07Å; E1761-L1791 HydrophobicContact CB-CG 4.49Å; E1761-L1791 HydrophobicContact CG-CD2 4.32Å; E1761-L1791 WeakPolarHBondContact OE2-CD2 3.46Å; E1761-R1929 VanDerWaalsContact CD-NH1 3.32Å; E1761-R1929 VanDerWaalsContact CD-NH2 3.3Å; E1761-R1929 PolarHBondContact O-NH2 3.2Å; E1761-R1929 IonicContact OE1-CZ 2.98Å; E1761-R1929 IonicContact OE1-NH1 3.32Å; E1761-R1929 PolarHBondContact OE1-NH1 3.28Å; E1761-R1929 IonicContact OE1-NH2 3.46Å; E1761-R1929 PolarHBondContact OE1-NH2 3.16Å; E1761-R1929 IonicContact OE2-CZ 2.86Å; E1761-R1929 VanDerWaalsContact OE2-CZ 3.32Å; E1761-R1929 IonicContact OE2-NH1 2.97Å; E1761-R1929 PolarHBondContact OE2-NH1 3.08Å; E1761-R1929 VanDerWaalsContact OE2-NH1 3.08Å; E1761-R1929 IonicContact OE2-NH2 3.22Å; E1761-R1929 PolarHBondContact OE2-NH2 3.11Å; E1761-R1929 VanDerWaalsContact OE2-NH2 3.11Å; E1761-K1931 PolarHBondContact O-NZ 3.47Å; E1761-K1931 VanDerWaalsContact O-NZ 3.12Å |
| 1762 | C | 76.6 | Confident | 85.9 | Confident | 49.8 Ų | 49.8 | 63.4 Ų | 63.4 | 34% | 0.336 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 3.1 | -175.8 | 71.3 | 0 | 0 | 0 | 0 | 115.7 | C1759 G1764 H1784 C1787 | C1759-C1762 VanDerWaalsContact SG-SG 3.65Å; C1762-G1764 PolarHBondContact O-N 3.12Å; C1762-G1764 PolarHBondContact SG-N 3.36Å; C1762-H1784 VanDerWaalsContact SG-CE1 3.59Å; C1762-H1784 PolarHBondContact SG-ND1 3.01Å; C1762-H1784 VanDerWaalsContact SG-ND1 3.4Å; C1762-C1787 PolarHBondContact SG-SG 3.23Å |
| 1763 | E | 79.3 | Confident | 85.8 | Confident | 48.8 Ų | 48.8 | 61.2 Ų | 61.2 | 23% | 0.228 | 33% | 0.327 | C | S | . | . | trans | 59 | 5.2 | -177.5 | -62.4 | 175.9 | 162.2 | 0 | 0 | 116.1 | Y1758 C1759 E1761 Q1896 K1931 R1933 | Y1758-E1763 VanDerWaalsContact CD1-O 3.24Å; Y1758-E1763 WeakPolarHBondContact CD1-O 3.34Å; C1759-E1763 VanDerWaalsContact O-CA 3.26Å; C1759-E1763 WeakPolarHBondContact O-CA 3.34Å; C1759-E1763 PolarHBondContact O-N 2.97Å; C1759-E1763 VanDerWaalsContact O-N 3.09Å; E1761-E1763 VanDerWaalsContact C-N 3.27Å; E1761-E1763 PolarHBondContact O-N 2.78Å; E1763-Q1896 PolarHBondContact OE1-NE2 3.42Å; E1763-K1931 VanDerWaalsContact OE1-CD 3.25Å; E1763-K1931 WeakPolarHBondContact OE1-CD 3.37Å; E1763-K1931 WeakPolarHBondContact OE1-CE 3.25Å; E1763-K1931 IonicContact OE1-NZ 3.19Å; E1763-K1931 PolarHBondContact OE1-NZ 2.97Å; E1763-K1931 IonicContact OE2-NZ 2.81Å; E1763-R1933 IonicContact OE2-CZ 3.25Å; E1763-R1933 VanDerWaalsContact OE2-CZ 3.26Å; E1763-R1933 IonicContact OE2-NH1 3.52Å; E1763-R1933 PolarHBondContact OE2-NH1 2.99Å; E1763-R1933 IonicContact OE2-NH2 2.97Å; E1763-R1933 PolarHBondContact OE2-NH2 3.18Å | ||
| 1764 | G | 80.9 | Confident | 86 | Confident | 25.4 Ų | 25.4 | 61.8 Ų | 61.8 | 26% | 0.262 | 33% | 0.33 | S | S | . | . | trans | -65.9 | 147.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | C1759 C1762 L1766 H1784 | C1759-G1764 WeakPolarHBondContact CB-O 3.35Å; C1759-G1764 PolarHBondContact N-O 3.31Å; C1762-G1764 PolarHBondContact O-N 3.12Å; C1762-G1764 PolarHBondContact SG-N 3.36Å; G1764-L1766 PolarHBondContact O-N 2.94Å; G1764-H1784 PolarHBondContact O-CE1 3.15Å | ||
| 1765 | L | 86.8 | Confident | 86.1 | Confident | 52.8 Ų | 52.8 | 60.4 Ų | 60.4 | 28% | 0.276 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 114.9 | -176.4 | 177.3 | 66 | 0 | 0 | 0 | 112.8 | P1756 Y1758 W1767 R1771 | P1756-L1765 HydrophobicContact CB-CD1 3.98Å; Y1758-L1765 HydrophobicContact CD1-CB 4.38Å; Y1758-L1765 HydrophobicContact CD1-CD1 4.39Å; Y1758-L1765 HydrophobicContact CE1-CB 4.26Å; Y1758-L1765 HydrophobicContact CE1-CD1 4.04Å; L1765-W1767 HydrophobicContact CD1-CB 4.21Å; L1765-W1767 HydrophobicContact CD2-CB 4.36Å; L1765-W1767 HydrophobicContact CG-CB 4.09Å; L1765-R1771 VanDerWaalsContact O-CD 3.26Å; L1765-R1771 WeakPolarHBondContact O-CD 3.33Å |
| 1766 | L | 88.2 | Confident | 86.3 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 115.3 | 162.7 | -57.6 | 172.3 | 0 | 0 | 0 | 108.7 | W1751 A1753 T1757 C1759 G1764 R1771 K1782 H1784 | W1751-L1766 HydrophobicContact CZ3-CD1 4.39Å; A1753-L1766 HydrophobicContact CB-CB 4.18Å; A1753-L1766 VanDerWaalsContact CB-O 3.27Å; A1753-L1766 WeakPolarHBondContact CB-O 3.43Å; T1757-L1766 HydrophobicContact CG2-CD1 4.44Å; T1757-L1766 PolarHBondContact N-O 3.19Å; T1757-L1766 VanDerWaalsContact N-O 3.13Å; T1757-L1766 CarbonylContact O-C 3.54Å; T1757-L1766 WeakPolarHBondContact O-CA 3.42Å; T1757-L1766 VanDerWaalsContact O-CB 3.3Å; T1757-L1766 WeakPolarHBondContact O-CB 3.4Å; T1757-L1766 PolarHBondContact O-N 2.94Å; T1757-L1766 VanDerWaalsContact O-O 3.06Å; C1759-L1766 HydrophobicContact CB-CD1 4.25Å; C1759-L1766 HydrophobicContact CB-CG 4.31Å; G1764-L1766 PolarHBondContact O-N 2.94Å; L1766-R1771 CarbonylContact C-O 3.57Å; L1766-R1771 WeakPolarHBondContact CA-O 3.41Å; L1766-K1782 HydrophobicContact CD1-CB 4.34Å; L1766-H1784 VanDerWaalsContact CD2-CD2 3.45Å; L1766-H1784 WeakPolarHBondContact CD2-CD2 3.32Å; L1766-H1784 WeakPolarHBondContact CD2-NE2 3.39Å |
| 1767 | W | 88.9 | Confident | 86.4 | Confident | 136.4 Ų | 136.4 | 56.6 Ų | 56.6 | 52% | 0.517 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 132.7 | 177.6 | -168.4 | 71.6 | 0 | 0 | 0 | 112.4 | A1753 T1754 S1755 P1756 L1765 R1771 | A1753-W1767 HydrophobicContact CB-CE3 4.28Å; A1753-W1767 WeakPolarHBondContact O-CZ3 3.45Å; T1754-W1767 VanDerWaalsContact C-CZ3 3.43Å; T1754-W1767 PolarHBondContact O-NE1 3.32Å; T1754-W1767 VanDerWaalsContact O-NE1 3.12Å; S1755-W1767 VanDerWaalsContact C-CZ3 3.45Å; S1755-W1767 VanDerWaalsContact CA-CZ3 3.46Å; P1756-W1767 HydrophobicContact CG-CD2 4.19Å; P1756-W1767 HydrophobicContact CG-CE3 4.31Å; P1756-W1767 HydrophobicContact CG-CG 4.31Å; P1756-W1767 HydrophobicContact CG-CZ2 4.36Å; L1765-W1767 HydrophobicContact CD1-CB 4.21Å; L1765-W1767 HydrophobicContact CD2-CB 4.36Å; L1765-W1767 HydrophobicContact CG-CB 4.09Å; W1767-R1771 PolarHBondContact N-O 3Å; W1767-R1771 VanDerWaalsContact N-O 3.07Å; W1767-R1771 PolarHBondContact O-N 3.1Å |
| 1768 | G | 88.1 | Confident | 86.4 | Confident | 20.8 Ų | 20.8 | 59.6 Ų | 59.6 | 21% | 0.214 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 59.6 | -162.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A1753 A1770 Q1772 | A1753-G1768 PolarHBondContact O-N 2.92Å; G1768-A1770 VanDerWaalsContact C-N 3.29Å; G1768-A1770 PolarHBondContact O-N 3.29Å; G1768-Q1772 WeakPolarHBondContact O-CG 3.44Å; G1768-Q1772 PolarHBondContact O-N 3.43Å |
| 1769 | L | 87.5 | Confident | 86.5 | Confident | 130 Ų | 130 | 52.8 Ų | 52.8 | 68% | 0.681 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | -27.1 | -179.2 | -62.8 | 175.5 | 0 | 0 | 0 | 113.1 | T1752 R1771 | T1752-L1769 HydrophobicContact CG2-CD2 3.95Å; L1769-R1771 VanDerWaalsContact C-N 3.31Å; L1769-R1771 PolarHBondContact O-N 3.12Å |
| 1770 | A | 80.8 | Confident | 86.6 | Confident | 95 Ų | 95 | 53.6 Ų | 53.6 | 79% | 0.785 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | -20.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G1768 | G1768-A1770 VanDerWaalsContact C-N 3.29Å; G1768-A1770 PolarHBondContact O-N 3.29Å |
| 1771 | R | 80.3 | Confident | 86.9 | Confident | 145.2 Ų | 145.2 | 50.9 Ų | 50.9 | 55% | 0.548 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 59.5 | 176.4 | -62.1 | -173.6 | -174.4 | 170.5 | 2.3 | 110.4 | L1765 L1766 W1767 L1769 | L1765-R1771 VanDerWaalsContact O-CD 3.26Å; L1765-R1771 WeakPolarHBondContact O-CD 3.33Å; L1766-R1771 CarbonylContact C-O 3.57Å; L1766-R1771 WeakPolarHBondContact CA-O 3.41Å; W1767-R1771 PolarHBondContact N-O 3Å; W1767-R1771 VanDerWaalsContact N-O 3.07Å; W1767-R1771 PolarHBondContact O-N 3.1Å; L1769-R1771 VanDerWaalsContact C-N 3.31Å; L1769-R1771 PolarHBondContact O-N 3.12Å |
| 1772 | Q | 88.5 | Confident | 87.4 | Confident | 86.2 Ų | 86.2 | 52.5 Ų | 52.5 | 40% | 0.403 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 153.4 | 167.8 | -70.3 | -178.3 | -39.2 | 0 | 0 | 110.8 | V1750 T1752 G1768 | V1750-Q1772 HydrophobicContact CG1-CB 4.48Å; T1752-Q1772 PolarHBondContact OG1-NE2 3.11Å; G1768-Q1772 WeakPolarHBondContact O-CG 3.44Å; G1768-Q1772 PolarHBondContact O-N 3.43Å |
| 1773 | G | 91.6 | Very high | 88 | Confident | 3.4 Ų | 3.4 | 50.1 Ų | 50.1 | 4% | 0.035 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | -170.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | W1751 C1783 | W1751-G1773 PolarHBondContact N-O 3.39Å; W1751-G1773 PolarHBondContact O-N 2.99Å; G1773-C1783 CarbonylContact C-O 3.54Å; G1773-C1783 WeakPolarHBondContact CA-O 3.35Å |
| 1774 | L | 93.5 | Very high | 88.5 | Confident | 12.8 Ų | 12.8 | 49.5 Ų | 49.5 | 7% | 0.067 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 148.1 | 164.7 | -56.1 | -179.6 | 0 | 0 | 0 | 109.7 | F1748 Q1749 V1750 K1782 C1783 D1785 R1788 | F1748-L1774 HydrophobicContact CB-CB 4.12Å; F1748-L1774 HydrophobicContact CB-CD1 3.98Å; F1748-L1774 HydrophobicContact CD1-CB 3.55Å; F1748-L1774 HydrophobicContact CD1-CD1 4.35Å; F1748-L1774 HydrophobicContact CD2-CD1 4.43Å; F1748-L1774 HydrophobicContact CE1-CB 4.24Å; F1748-L1774 HydrophobicContact CG-CB 4.01Å; F1748-L1774 HydrophobicContact CG-CD1 4.04Å; Q1749-L1774 CarbonylContact O-C 3.45Å; Q1749-L1774 WeakPolarHBondContact O-CA 3.39Å; V1750-L1774 HydrophobicContact CG2-CD2 4.13Å; L1774-K1782 VanDerWaalsContact O-CA 3.31Å; L1774-K1782 WeakPolarHBondContact O-CA 3.34Å; L1774-C1783 PolarHBondContact N-O 3.01Å; L1774-C1783 PolarHBondContact O-N 3.24Å; L1774-D1785 HydrophobicContact CD1-CB 4.41Å; L1774-D1785 WeakPolarHBondContact CD1-OD1 3.17Å; L1774-D1785 HydrophobicContact CG-CB 4.42Å; L1774-R1788 HydrophobicContact CD1-CB 4.03Å; L1774-R1788 HydrophobicContact CD1-CG 4.26Å |
| 1775 | R | 93.6 | Very high | 88.9 | Confident | 89 Ų | 89 | 53.7 Ų | 53.7 | 34% | 0.336 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 130.4 | 169.7 | -176 | -171.5 | -166.4 | -75.6 | 8.7 | 109.1 | Q1749 W1751 G1780 V1781 K1782 | Q1749-R1775 PolarHBondContact N-O 3.19Å; Q1749-R1775 PolarHBondContact O-N 2.82Å; W1751-R1775 HydrophobicContact CB-CB 3.5Å; W1751-R1775 VanDerWaalsContact CB-CB 3.45Å; W1751-R1775 HydrophobicContact CD2-CB 4.14Å; W1751-R1775 HydrophobicContact CD2-CG 4.48Å; W1751-R1775 HydrophobicContact CE3-CB 4.48Å; W1751-R1775 HydrophobicContact CG-CB 3.66Å; W1751-R1775 HydrophobicContact CG-CG 4.38Å; R1775-G1780 VanDerWaalsContact NH1-CA 3.3Å; R1775-G1780 PolarHBondContact NH1-O 2.88Å; R1775-V1781 CarbonylContact C-O 3.33Å; R1775-V1781 VanDerWaalsContact CA-O 3.32Å; R1775-V1781 WeakPolarHBondContact CA-O 3.29Å; R1775-K1782 HydrophobicContact CG-CG 4.33Å |
| 1776 | C | 93.3 | Very high | 88.9 | Confident | 0.2 Ų | 0.2 | 58.7 Ų | 58.7 | 0% | 0.001 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 137.4 | 172.6 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | H1746 N1747 F1748 C1779 G1780 V1781 C1795 | H1746-C1776 HydrophobicContact CB-CB 4.25Å; N1747-C1776 CarbonylContact O-C 3.51Å; N1747-C1776 VanDerWaalsContact O-CA 3.22Å; N1747-C1776 WeakPolarHBondContact O-CA 3.36Å; N1747-C1776 PolarHBondContact O-SG 3.09Å; N1747-C1776 VanDerWaalsContact O-SG 3.41Å; F1748-C1776 HydrophobicContact CD1-CB 4.08Å; F1748-C1776 HydrophobicContact CE1-CB 3.9Å; F1748-C1776 HydrophobicContact CZ-CB 4.45Å; C1776-C1779 VanDerWaalsContact CB-SG 3.53Å; C1776-C1779 WeakPolarHBondContact CB-SG 3.39Å; C1776-C1779 VanDerWaalsContact SG-SG 3.64Å; C1776-G1780 VanDerWaalsContact O-CA 3.24Å; C1776-G1780 WeakPolarHBondContact O-CA 3.35Å; C1776-G1780 PolarHBondContact O-N 3.09Å; C1776-V1781 HydrophobicContact CB-CG1 3.96Å; C1776-V1781 PolarHBondContact N-O 3.13Å; C1776-C1795 VanDerWaalsContact SG-SG 3.65Å |
| 1777 | T | 91.1 | Very high | 88.7 | Confident | 38.2 Ų | 38.2 | 58.8 Ų | 58.8 | 23% | 0.234 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -48.6 | 177.3 | 55.5 | 0 | 0 | 0 | 0 | 111.5 | N1747 Q1749 | N1747-T1777 WeakPolarHBondContact CB-OG1 3.44Å; N1747-T1777 WeakPolarHBondContact ND2-CG2 3.49Å; N1747-T1777 PolarHBondContact ND2-OG1 2.94Å; N1747-T1777 VanDerWaalsContact ND2-OG1 3.09Å; N1747-T1777 PolarHBondContact O-N 3.21Å; N1747-T1777 PolarHBondContact O-OG1 3.35Å; Q1749-T1777 VanDerWaalsContact CD-CG2 3.48Å; Q1749-T1777 HydrophobicContact CG-CG2 4Å |
| 1778 | E | 88 | Confident | 88.5 | Confident | 79.4 Ų | 79.4 | 58.5 Ų | 58.5 | 37% | 0.371 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -71.3 | -172.1 | -51.8 | -39 | 120.2 | 0 | 0 | 112.2 | G1780 A1799 K1802 K1811 | E1778-G1780 VanDerWaalsContact C-N 3.29Å; E1778-G1780 PolarHBondContact O-N 3.11Å; E1778-A1799 HydrophobicContact CB-CB 4.35Å; E1778-K1802 PolarHBondContact O-NZ 3.19Å; E1778-K1811 IonicContact OE2-NZ 3.16Å; E1778-K1811 PolarHBondContact OE2-NZ 2.96Å |
| 1779 | C | 88 | Confident | 88 | Confident | 7.4 Ų | 7.4 | 64.2 Ų | 64.2 | 5% | 0.05 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -21.4 | -175.8 | 78.7 | 0 | 0 | 0 | 0 | 112.7 | H1746 C1776 V1781 C1795 R1798 A1799 K1802 | H1746-C1779 PolarHBondContact ND1-SG 3.12Å; C1776-C1779 VanDerWaalsContact CB-SG 3.53Å; C1776-C1779 WeakPolarHBondContact CB-SG 3.39Å; C1776-C1779 VanDerWaalsContact SG-SG 3.64Å; C1779-V1781 VanDerWaalsContact C-N 3.29Å; C1779-V1781 PolarHBondContact O-N 3.15Å; C1779-V1781 VanDerWaalsContact SG-CB 3.56Å; C1779-V1781 VanDerWaalsContact SG-CG1 3.52Å; C1779-V1781 WeakPolarHBondContact SG-CG1 3.27Å; C1779-V1781 PolarHBondContact SG-N 3.11Å; C1779-V1781 VanDerWaalsContact SG-N 3.38Å; C1779-C1795 VanDerWaalsContact CB-O 3.27Å; C1779-C1795 WeakPolarHBondContact CB-O 3.36Å; C1779-R1798 HydrophobicContact CB-CB 3.73Å; C1779-A1799 HydrophobicContact CB-CB 4.39Å; C1779-K1802 VanDerWaalsContact C-NZ 3.34Å; C1779-K1802 VanDerWaalsContact O-CD 3.26Å; C1779-K1802 WeakPolarHBondContact O-CD 3.28Å; C1779-K1802 PolarHBondContact O-NZ 2.89Å |
| 1780 | G | 89.2 | Confident | 87.5 | Confident | 16.4 Ų | 16.4 | 62.5 Ų | 62.5 | 17% | 0.169 | 31% | 0.305 | C | S | . | . | trans | 73.8 | 10.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | R1775 C1776 E1778 | R1775-G1780 VanDerWaalsContact NH1-CA 3.3Å; R1775-G1780 PolarHBondContact NH1-O 2.88Å; C1776-G1780 VanDerWaalsContact O-CA 3.24Å; C1776-G1780 WeakPolarHBondContact O-CA 3.35Å; C1776-G1780 PolarHBondContact O-N 3.09Å; E1778-G1780 VanDerWaalsContact C-N 3.29Å; E1778-G1780 PolarHBondContact O-N 3.11Å | ||
| 1781 | V | 89 | Confident | 87.3 | Confident | 9.2 Ų | 9.2 | 58.6 Ų | 58.6 | 6% | 0.056 | 27% | 0.271 | C | S | . | . | trans | -59.3 | 145.8 | 173.4 | 78.8 | 0 | 0 | 0 | 0 | 110.3 | F1748 Y1760 R1775 C1776 C1779 L1791 | F1748-V1781 HydrophobicContact CE1-CG1 3.77Å; F1748-V1781 HydrophobicContact CZ-CG1 3.75Å; Y1760-V1781 HydrophobicContact CD1-CG2 4.03Å; Y1760-V1781 HydrophobicContact CD2-CG2 4.36Å; Y1760-V1781 HydrophobicContact CG-CG2 3.76Å; R1775-V1781 CarbonylContact C-O 3.33Å; R1775-V1781 VanDerWaalsContact CA-O 3.32Å; R1775-V1781 WeakPolarHBondContact CA-O 3.29Å; C1776-V1781 HydrophobicContact CB-CG1 3.96Å; C1776-V1781 PolarHBondContact N-O 3.13Å; C1779-V1781 VanDerWaalsContact C-N 3.29Å; C1779-V1781 PolarHBondContact O-N 3.15Å; C1779-V1781 VanDerWaalsContact SG-CB 3.56Å; C1779-V1781 VanDerWaalsContact SG-CG1 3.52Å; C1779-V1781 WeakPolarHBondContact SG-CG1 3.27Å; C1779-V1781 PolarHBondContact SG-N 3.11Å; C1779-V1781 VanDerWaalsContact SG-N 3.38Å; V1781-L1791 HydrophobicContact CG1-CD1 4.26Å; V1781-L1791 HydrophobicContact CG2-CD2 4.37Å | ||
| 1782 | K | 91.6 | Very high | 86.8 | Confident | 55.8 Ų | 55.8 | 55.1 Ų | 55.1 | 24% | 0.243 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 132.6 | -176.4 | -56.5 | 175.8 | 177 | -178.6 | 0 | 109.8 | W1751 T1757 Y1760 L1766 L1774 R1775 | W1751-K1782 HydrophobicContact CE3-CD 4.18Å; W1751-K1782 HydrophobicContact CE3-CG 4.31Å; W1751-K1782 HydrophobicContact CH2-CD 3.67Å; W1751-K1782 VanDerWaalsContact CH2-CE 3.44Å; W1751-K1782 HydrophobicContact CH2-CG 4.33Å; W1751-K1782 VanDerWaalsContact CH2-NZ 3.26Å; W1751-K1782 HydrophobicContact CZ2-CD 4.32Å; W1751-K1782 VanDerWaalsContact CZ2-CE 3.48Å; W1751-K1782 HydrophobicContact CZ3-CB 4.35Å; W1751-K1782 HydrophobicContact CZ3-CD 3.57Å; W1751-K1782 VanDerWaalsContact CZ3-CD 3.48Å; W1751-K1782 HydrophobicContact CZ3-CG 4.2Å; T1757-K1782 HydrophobicContact CG2-CB 4.49Å; T1757-K1782 HydrophobicContact CG2-CD 3.5Å; T1757-K1782 PolarHBondContact OG1-NZ 3.33Å; Y1760-K1782 WeakPolarHBondContact CB-O 3.39Å; Y1760-K1782 PolarHBondContact N-O 3.21Å; L1766-K1782 HydrophobicContact CD1-CB 4.34Å; L1774-K1782 VanDerWaalsContact O-CA 3.31Å; L1774-K1782 WeakPolarHBondContact O-CA 3.34Å; R1775-K1782 HydrophobicContact CG-CG 4.33Å |
| 1783 | C | 90.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 172 | -179.4 | 61.2 | 0 | 0 | 0 | 0 | 112.4 | C1759 G1773 L1774 C1787 L1791 | C1759-C1783 VanDerWaalsContact SG-CA 3.54Å; G1773-C1783 CarbonylContact C-O 3.54Å; G1773-C1783 WeakPolarHBondContact CA-O 3.35Å; L1774-C1783 PolarHBondContact N-O 3.01Å; L1774-C1783 PolarHBondContact O-N 3.24Å; C1783-C1787 HydrophobicContact CB-CB 4.05Å; C1783-L1791 HydrophobicContact CB-CD1 3.89Å |
| 1784 | H | 89.1 | Confident | 85.6 | Confident | 36.4 Ų | 36.4 | 52.1 Ų | 52.1 | 17% | 0.169 | 25% | 0.25 | C | S | . | . | trans | -74 | 157.9 | 159.7 | -59.7 | 95.8 | 0 | 0 | 0 | 109.9 | C1759 C1762 G1764 L1766 K1786 C1787 R1788 | C1759-H1784 VanDerWaalsContact CB-CE1 3.46Å; C1759-H1784 WeakPolarHBondContact CB-CE1 3.42Å; C1759-H1784 VanDerWaalsContact CB-ND1 3.31Å; C1759-H1784 WeakPolarHBondContact CB-ND1 3.3Å; C1759-H1784 PolarHBondContact SG-N 3.06Å; C1759-H1784 VanDerWaalsContact SG-N 3.43Å; C1759-H1784 PolarHBondContact SG-ND1 3.08Å; C1759-H1784 VanDerWaalsContact SG-ND1 3.39Å; C1762-H1784 VanDerWaalsContact SG-CE1 3.59Å; C1762-H1784 PolarHBondContact SG-ND1 3.01Å; C1762-H1784 VanDerWaalsContact SG-ND1 3.4Å; G1764-H1784 PolarHBondContact O-CE1 3.15Å; L1766-H1784 VanDerWaalsContact CD2-CD2 3.45Å; L1766-H1784 WeakPolarHBondContact CD2-CD2 3.32Å; L1766-H1784 WeakPolarHBondContact CD2-NE2 3.39Å; H1784-K1786 VanDerWaalsContact C-N 3.35Å; H1784-K1786 HydrophobicContact CB-CG 4.11Å; H1784-K1786 PolarHBondContact O-N 3.12Å; H1784-C1787 HydrophobicContact CB-CB 4.26Å; H1784-C1787 WeakPolarHBondContact O-CA 3.27Å; H1784-C1787 WeakPolarHBondContact O-CB 3.33Å; H1784-C1787 PolarHBondContact O-N 3Å; H1784-R1788 PolarHBondContact O-N 3.12Å | ||
| 1785 | D | 89.1 | Confident | 85.3 | Confident | 112.4 Ų | 112.4 | 51.6 Ų | 51.6 | 60% | 0.601 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -54 | -50.8 | 172.6 | -170.7 | 44.2 | 0 | 0 | 0 | 111.7 | L1774 C1787 R1788 | L1774-D1785 HydrophobicContact CD1-CB 4.41Å; L1774-D1785 WeakPolarHBondContact CD1-OD1 3.17Å; L1774-D1785 HydrophobicContact CG-CB 4.42Å; D1785-C1787 PolarHBondContact O-N 3.06Å; D1785-R1788 WeakPolarHBondContact O-CB 3.31Å; D1785-R1788 PolarHBondContact O-N 3.15Å |
| 1786 | K | 86.5 | Confident | 85 | Confident | 157.8 Ų | 157.8 | 48.6 Ų | 48.6 | 69% | 0.686 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -61 | -5.5 | 172.7 | 74.2 | 167 | -172.3 | 169.1 | 0 | 116.2 | H1784 D1982 | H1784-K1786 VanDerWaalsContact C-N 3.35Å; H1784-K1786 HydrophobicContact CB-CG 4.11Å; H1784-K1786 PolarHBondContact O-N 3.12Å; K1786-D1982 IonicContact NZ-OD2 3.41Å |
| 1787 | C | 84.4 | Confident | 84.6 | Confident | 3.2 Ų | 3.2 | 50.7 Ų | 50.7 | 2% | 0.022 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -108.5 | -1 | 176.6 | -65.8 | 0 | 0 | 0 | 0 | 112.7 | E1761 C1762 C1783 H1784 D1785 E1789 L1790 L1791 | E1761-C1787 HydrophobicContact CB-CB 3.95Å; E1761-C1787 HydrophobicContact CG-CB 4.33Å; C1762-C1787 PolarHBondContact SG-SG 3.23Å; C1783-C1787 HydrophobicContact CB-CB 4.05Å; H1784-C1787 HydrophobicContact CB-CB 4.26Å; H1784-C1787 WeakPolarHBondContact O-CA 3.27Å; H1784-C1787 WeakPolarHBondContact O-CB 3.33Å; H1784-C1787 PolarHBondContact O-N 3Å; D1785-C1787 PolarHBondContact O-N 3.06Å; C1787-E1789 VanDerWaalsContact C-N 3.32Å; C1787-E1789 PolarHBondContact O-N 3.04Å; C1787-L1790 PolarHBondContact O-N 3.13Å; C1787-L1791 WeakPolarHBondContact O-CG 3.36Å |
| 1788 | R | 84.3 | Confident | 84.2 | Confident | 130.4 Ų | 130.4 | 50.8 Ų | 50.8 | 49% | 0.492 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -54.5 | -46.2 | -179.9 | 176.3 | 175.7 | 176.7 | -170.9 | -2.4 | 113 | F1748 L1774 H1784 D1785 L1790 | F1748-R1788 HydrophobicContact CD2-CG 3.7Å; F1748-R1788 HydrophobicContact CE2-CB 4.5Å; F1748-R1788 HydrophobicContact CE2-CG 3.8Å; L1774-R1788 HydrophobicContact CD1-CB 4.03Å; L1774-R1788 HydrophobicContact CD1-CG 4.26Å; H1784-R1788 PolarHBondContact O-N 3.12Å; D1785-R1788 WeakPolarHBondContact O-CB 3.31Å; D1785-R1788 PolarHBondContact O-N 3.15Å; R1788-L1790 VanDerWaalsContact C-N 3.31Å; R1788-L1790 PolarHBondContact O-N 3.18Å |
| 1789 | E | 77.7 | Confident | 84.2 | Confident | 140.8 Ų | 140.8 | 47.1 Ų | 47.1 | 66% | 0.658 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -82 | -14.2 | -172.6 | -61.5 | -178.2 | 164.7 | 0 | 0 | 113.1 | K1422 T1566 C1787 L1791 | K1422-E1789 VanDerWaalsContact CD-OE1 3.27Å; K1422-E1789 WeakPolarHBondContact CD-OE1 3.31Å; K1422-E1789 IonicContact NZ-OE1 2.87Å; K1422-E1789 PolarHBondContact NZ-OE1 3.47Å; K1422-E1789 IonicContact NZ-OE2 3.97Å; K1422-E1789 PolarHBondContact NZ-OE2 3.13Å; T1566-E1789 HydrophobicContact CG2-CB 3.94Å; T1566-E1789 HydrophobicContact CG2-CG 4.2Å; T1566-E1789 WeakPolarHBondContact CG2-O 3.38Å; C1787-E1789 VanDerWaalsContact C-N 3.32Å; C1787-E1789 PolarHBondContact O-N 3.04Å; E1789-L1791 VanDerWaalsContact C-N 3.31Å; E1789-L1791 PolarHBondContact O-N 3.14Å |
| 1790 | L | 77.7 | Confident | 84.2 | Confident | 92.6 Ų | 92.6 | 47.1 Ų | 47.1 | 49% | 0.485 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -87.4 | 0.7 | 179.8 | -60.3 | 175.6 | 0 | 0 | 0 | 113.2 | W1570 E1761 C1787 R1788 N1792 | W1570-L1790 HydrophobicContact CH2-CB 4.28Å; W1570-L1790 HydrophobicContact CH2-CD2 3.53Å; W1570-L1790 HydrophobicContact CZ2-CD2 4.48Å; W1570-L1790 HydrophobicContact CZ3-CD2 3.85Å; E1761-L1790 HydrophobicContact CG-CB 3.75Å; E1761-L1790 HydrophobicContact CG-CD1 4.32Å; C1787-L1790 PolarHBondContact O-N 3.13Å; R1788-L1790 VanDerWaalsContact C-N 3.31Å; R1788-L1790 PolarHBondContact O-N 3.18Å; L1790-N1792 PolarHBondContact O-N 3.26Å; L1790-N1792 VanDerWaalsContact O-N 3.1Å |
| 1791 | L | 76 | Confident | 83.8 | Confident | 14 Ų | 14 | 47.8 Ų | 47.8 | 7% | 0.073 | 23% | 0.227 | C | C | . | . | trans | -90.3 | 83.9 | -172 | -75.4 | 170 | 0 | 0 | 0 | 113.2 | F1748 Y1760 E1761 V1781 C1783 C1787 E1789 S1793 | F1748-L1791 HydrophobicContact CE1-CD1 4.42Å; F1748-L1791 HydrophobicContact CE2-CD1 4.2Å; F1748-L1791 HydrophobicContact CZ-CD1 3.52Å; F1748-L1791 VanDerWaalsContact CZ-CD1 3.49Å; Y1760-L1791 HydrophobicContact CD1-CD2 3.63Å; Y1760-L1791 HydrophobicContact CE1-CD2 4.38Å; Y1760-L1791 HydrophobicContact CG-CD2 4.44Å; E1761-L1791 HydrophobicContact CB-CD2 4.07Å; E1761-L1791 HydrophobicContact CB-CG 4.49Å; E1761-L1791 HydrophobicContact CG-CD2 4.32Å; E1761-L1791 WeakPolarHBondContact OE2-CD2 3.46Å; V1781-L1791 HydrophobicContact CG1-CD1 4.26Å; V1781-L1791 HydrophobicContact CG2-CD2 4.37Å; C1783-L1791 HydrophobicContact CB-CD1 3.89Å; C1787-L1791 WeakPolarHBondContact O-CG 3.36Å; E1789-L1791 VanDerWaalsContact C-N 3.31Å; E1789-L1791 PolarHBondContact O-N 3.14Å; L1791-S1793 PolarHBondContact O-N 3.14Å; L1791-S1793 VanDerWaalsContact O-N 3.13Å | ||
| 1792 | N | 69.9 | Low | 83.6 | Confident | 71.8 Ų | 71.8 | 50 Ų | 50 | 38% | 0.384 | 24% | 0.236 | S | C | . | . | trans | -68.2 | -4.5 | 178.2 | -83.1 | -10.5 | 0 | 0 | 0 | 115.5 | M1426 L1790 E1963 R1965 | M1426-N1792 WeakPolarHBondContact CE-OD1 3.28Å; L1790-N1792 PolarHBondContact O-N 3.26Å; L1790-N1792 VanDerWaalsContact O-N 3.1Å; N1792-E1963 WeakPolarHBondContact CB-OE1 3.36Å; N1792-E1963 PolarHBondContact ND2-OE1 3.42Å; N1792-E1963 PolarHBondContact ND2-OE2 3.24Å; N1792-R1965 VanDerWaalsContact CG-NH2 3.29Å; N1792-R1965 PolarHBondContact ND2-NH2 2.8Å; N1792-R1965 PolarHBondContact O-NH1 3.12Å; N1792-R1965 PolarHBondContact O-NH2 2.64Å | ||
| 1793 | S | 73.3 | Confident | 83.4 | Confident | 12.4 Ų | 12.4 | 47.6 Ų | 47.6 | 9% | 0.087 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -78.2 | 133.6 | -178.2 | 24.2 | 0 | 0 | 0 | 0 | 112.2 | H1746 Y1760 L1791 R1798 | H1746-S1793 PolarHBondContact CE1-O 3.29Å; H1746-S1793 VanDerWaalsContact CE1-O 3.3Å; H1746-S1793 PolarHBondContact NE2-O 2.98Å; Y1760-S1793 WeakPolarHBondContact CE1-OG 3.38Å; L1791-S1793 PolarHBondContact O-N 3.14Å; L1791-S1793 VanDerWaalsContact O-N 3.13Å; S1793-R1798 VanDerWaalsContact CB-CZ 3.41Å; S1793-R1798 VanDerWaalsContact CB-NH2 3.27Å; S1793-R1798 PolarHBondContact OG-NE 2.76Å; S1793-R1798 PolarHBondContact OG-NH1 3Å; S1793-R1798 PolarHBondContact OG-NH2 3.46Å |
| 1794 | D | 81.5 | Confident | 83 | Confident | 14.4 Ų | 14.4 | 50.4 Ų | 50.4 | 8% | 0.077 | 25% | 0.249 | C | C | . | . | trans | -59.5 | 141.5 | 176.3 | 176.1 | 32.2 | 0 | 0 | 0 | 112.6 | Y1738 L1796 Q1797 R1798 | Y1738-D1794 WeakPolarHBondContact CE1-OD2 3.38Å; Y1738-D1794 VanDerWaalsContact OH-CG 3.28Å; Y1738-D1794 PolarHBondContact OH-OD1 3.24Å; Y1738-D1794 PolarHBondContact OH-OD2 3.04Å; Y1738-D1794 VanDerWaalsContact OH-OD2 3.14Å; D1794-L1796 PolarHBondContact OD1-N 3Å; D1794-L1796 VanDerWaalsContact OD1-N 3.11Å; D1794-L1796 PolarHBondContact OD2-N 2.97Å; D1794-Q1797 HydrophobicContact CB-CB 4.39Å; D1794-Q1797 VanDerWaalsContact OD2-CB 3.27Å; D1794-Q1797 WeakPolarHBondContact OD2-CB 3.37Å; D1794-Q1797 VanDerWaalsContact OD2-CG 3.27Å; D1794-Q1797 WeakPolarHBondContact OD2-CG 3.44Å; D1794-Q1797 PolarHBondContact OD2-N 3.07Å; D1794-R1798 VanDerWaalsContact O-CB 3.3Å; D1794-R1798 WeakPolarHBondContact O-CB 3.36Å; D1794-R1798 WeakPolarHBondContact O-CD 3.35Å; D1794-R1798 VanDerWaalsContact O-CG 3.3Å; D1794-R1798 WeakPolarHBondContact O-CG 3.27Å | ||
| 1795 | C | 87.6 | Confident | 82.7 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.014 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -74.8 | -43.1 | 174.8 | -167.5 | 0 | 0 | 0 | 0 | 112 | T1744 H1746 C1776 C1779 A1799 | T1744-C1795 VanDerWaalsContact O-CB 3.26Å; T1744-C1795 WeakPolarHBondContact O-CB 3.43Å; H1746-C1795 PolarHBondContact ND1-SG 2.91Å; C1776-C1795 VanDerWaalsContact SG-SG 3.65Å; C1779-C1795 VanDerWaalsContact CB-O 3.27Å; C1779-C1795 WeakPolarHBondContact CB-O 3.36Å; C1795-A1799 VanDerWaalsContact O-CB 3.28Å; C1795-A1799 WeakPolarHBondContact O-CB 3.36Å; C1795-A1799 PolarHBondContact O-N 3.09Å |
| 1796 | L | 87.7 | Confident | 82.4 | Confident | 24.8 Ų | 24.8 | 56.9 Ų | 56.9 | 13% | 0.13 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -75.7 | -49.5 | -171.2 | -64.2 | -177.1 | 0 | 0 | 0 | 112.6 | T1744 D1794 R1798 A1799 A1800 I1815 I1819 L1822 | T1744-L1796 HydrophobicContact CG2-CD2 4.3Å; T1744-L1796 HydrophobicContact CG2-CG 4.25Å; T1744-L1796 VanDerWaalsContact OG1-CD1 3.27Å; T1744-L1796 WeakPolarHBondContact OG1-CD1 3.4Å; T1744-L1796 WeakPolarHBondContact OG1-CG 3.31Å; D1794-L1796 PolarHBondContact OD1-N 3Å; D1794-L1796 VanDerWaalsContact OD1-N 3.11Å; D1794-L1796 PolarHBondContact OD2-N 2.97Å; L1796-R1798 VanDerWaalsContact C-N 3.29Å; L1796-R1798 PolarHBondContact O-N 3.16Å; L1796-A1799 CarbonylContact O-C 3.59Å; L1796-A1799 WeakPolarHBondContact O-CA 3.37Å; L1796-A1799 WeakPolarHBondContact O-CB 3.18Å; L1796-A1799 PolarHBondContact O-N 3.11Å; L1796-A1800 PolarHBondContact O-N 3.18Å; L1796-I1815 HydrophobicContact CB-CG2 4.22Å; L1796-I1815 HydrophobicContact CD2-CG2 4.43Å; L1796-I1815 WeakPolarHBondContact O-CG2 3.34Å; L1796-I1819 HydrophobicContact CB-CD1 3.94Å; L1796-I1819 HydrophobicContact CB-CG1 3.86Å; L1796-I1819 HydrophobicContact CD1-CG1 4.01Å; L1796-L1822 HydrophobicContact CD1-CD1 3.58Å |
| 1797 | Q | 84.2 | Confident | 82.2 | Confident | 46 Ų | 46 | 52.5 Ų | 52.5 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.7 | -43.3 | 174.5 | -88.4 | 176.1 | 10.6 | 0 | 0 | 111.1 | D1794 A1799 A1800 E1801 I1819 | D1794-Q1797 HydrophobicContact CB-CB 4.39Å; D1794-Q1797 VanDerWaalsContact OD2-CB 3.27Å; D1794-Q1797 WeakPolarHBondContact OD2-CB 3.37Å; D1794-Q1797 VanDerWaalsContact OD2-CG 3.27Å; D1794-Q1797 WeakPolarHBondContact OD2-CG 3.44Å; D1794-Q1797 PolarHBondContact OD2-N 3.07Å; Q1797-A1799 VanDerWaalsContact C-N 3.32Å; Q1797-A1799 PolarHBondContact O-N 3.21Å; Q1797-A1800 PolarHBondContact O-N 3.08Å; Q1797-E1801 WeakPolarHBondContact O-CB 3.3Å; Q1797-E1801 WeakPolarHBondContact O-CG 3.32Å; Q1797-E1801 PolarHBondContact O-N 3.16Å; Q1797-I1819 HydrophobicContact CG-CD1 4.42Å |
| 1798 | R | 83.9 | Confident | 82.3 | Confident | 39.8 Ų | 39.8 | 54.2 Ų | 54.2 | 15% | 0.15 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.9 | -36.6 | 174.7 | -74.8 | -175.9 | 151.1 | -110.5 | -9 | 113.4 | Y1760 C1779 S1793 D1794 L1796 A1800 K1802 S1927 | Y1760-R1798 VanDerWaalsContact CE1-NH2 3.29Å; Y1760-R1798 VanDerWaalsContact CE2-NH2 3.27Å; Y1760-R1798 VanDerWaalsContact CZ-NH1 3.32Å; Y1760-R1798 VanDerWaalsContact CZ-NH2 3.26Å; Y1760-R1798 PolarHBondContact OH-NH2 2.95Å; C1779-R1798 HydrophobicContact CB-CB 3.73Å; S1793-R1798 VanDerWaalsContact CB-CZ 3.41Å; S1793-R1798 VanDerWaalsContact CB-NH2 3.27Å; S1793-R1798 PolarHBondContact OG-NE 2.76Å; S1793-R1798 PolarHBondContact OG-NH1 3Å; S1793-R1798 PolarHBondContact OG-NH2 3.46Å; D1794-R1798 VanDerWaalsContact O-CB 3.3Å; D1794-R1798 WeakPolarHBondContact O-CB 3.36Å; D1794-R1798 WeakPolarHBondContact O-CD 3.35Å; D1794-R1798 VanDerWaalsContact O-CG 3.3Å; D1794-R1798 WeakPolarHBondContact O-CG 3.27Å; L1796-R1798 VanDerWaalsContact C-N 3.29Å; L1796-R1798 PolarHBondContact O-N 3.16Å; R1798-A1800 VanDerWaalsContact C-N 3.34Å; R1798-K1802 WeakPolarHBondContact O-CB 3.38Å; R1798-K1802 PolarHBondContact O-N 3.13Å; R1798-S1927 PolarHBondContact NH2-O 2.93Å |
| 1799 | A | 88 | Confident | 82.3 | Confident | 2.2 Ų | 2.2 | 50.9 Ų | 50.9 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.2 | -38.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1778 C1779 C1795 L1796 Q1797 K1802 S1803 I1815 | E1778-A1799 HydrophobicContact CB-CB 4.35Å; C1779-A1799 HydrophobicContact CB-CB 4.39Å; C1795-A1799 VanDerWaalsContact O-CB 3.28Å; C1795-A1799 WeakPolarHBondContact O-CB 3.36Å; C1795-A1799 PolarHBondContact O-N 3.09Å; L1796-A1799 CarbonylContact O-C 3.59Å; L1796-A1799 WeakPolarHBondContact O-CA 3.37Å; L1796-A1799 WeakPolarHBondContact O-CB 3.18Å; L1796-A1799 PolarHBondContact O-N 3.11Å; Q1797-A1799 VanDerWaalsContact C-N 3.32Å; Q1797-A1799 PolarHBondContact O-N 3.21Å; A1799-K1802 PolarHBondContact O-N 3.02Å; A1799-S1803 VanDerWaalsContact O-CB 3.3Å; A1799-S1803 WeakPolarHBondContact O-CB 3.32Å; A1799-S1803 PolarHBondContact O-N 3.27Å; A1799-S1803 PolarHBondContact O-OG 3.08Å; A1799-I1815 HydrophobicContact CB-CD1 3.76Å |
| 1800 | A | 86.6 | Confident | 82.8 | Confident | 7.4 Ų | 7.4 | 50.4 Ų | 50.4 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.4 | -51.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1796 Q1797 R1798 K1802 S1803 A1804 I1815 | L1796-A1800 PolarHBondContact O-N 3.18Å; Q1797-A1800 PolarHBondContact O-N 3.08Å; R1798-A1800 VanDerWaalsContact C-N 3.34Å; A1800-K1802 VanDerWaalsContact C-N 3.32Å; A1800-K1802 PolarHBondContact O-N 3.2Å; A1800-S1803 PolarHBondContact O-N 3.29Å; A1800-S1803 VanDerWaalsContact O-N 3.13Å; A1800-A1804 WeakPolarHBondContact O-CB 3.42Å; A1800-A1804 PolarHBondContact O-N 3.22Å; A1800-I1815 HydrophobicContact CB-CB 4.22Å; A1800-I1815 HydrophobicContact CB-CG2 3.87Å |
| 1801 | E | 81.6 | Confident | 83.3 | Confident | 30.2 Ų | 30.2 | 51.2 Ų | 51.2 | 14% | 0.141 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -55.3 | -46.7 | 175.4 | -79.8 | -174.5 | -155.4 | 0 | 0 | 112.3 | Q1797 S1803 A1804 K1805 T1863 | Q1797-E1801 WeakPolarHBondContact O-CB 3.3Å; Q1797-E1801 WeakPolarHBondContact O-CG 3.32Å; Q1797-E1801 PolarHBondContact O-N 3.16Å; E1801-S1803 VanDerWaalsContact C-N 3.34Å; E1801-A1804 PolarHBondContact O-N 3.16Å; E1801-K1805 HydrophobicContact CB-CD 4.47Å; E1801-K1805 VanDerWaalsContact O-CB 3.27Å; E1801-K1805 WeakPolarHBondContact O-CB 3.34Å; E1801-K1805 WeakPolarHBondContact O-CD 3.44Å; E1801-K1805 VanDerWaalsContact O-CG 3.24Å; E1801-K1805 WeakPolarHBondContact O-CG 3.33Å; E1801-K1805 PolarHBondContact O-N 2.93Å; E1801-K1805 IonicContact OE2-NZ 3.2Å; E1801-K1805 PolarHBondContact OE2-NZ 3.21Å; E1801-T1863 WeakPolarHBondContact OE1-CB 3.49Å; E1801-T1863 VanDerWaalsContact OE1-CG2 3.3Å; E1801-T1863 WeakPolarHBondContact OE1-CG2 3.39Å; E1801-T1863 PolarHBondContact OE1-OG1 3.23Å; E1801-T1863 PolarHBondContact OE2-OG1 3.03Å |
| 1802 | K | 84.2 | Confident | 83.8 | Confident | 55.4 Ų | 55.4 | 50.8 Ų | 50.8 | 24% | 0.241 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 178.1 | 170.4 | -179.7 | 155.9 | -145.8 | 0 | 111.1 | E1778 C1779 R1798 A1799 A1800 A1804 K1805 Q1806 | E1778-K1802 PolarHBondContact O-NZ 3.19Å; C1779-K1802 VanDerWaalsContact C-NZ 3.34Å; C1779-K1802 VanDerWaalsContact O-CD 3.26Å; C1779-K1802 WeakPolarHBondContact O-CD 3.28Å; C1779-K1802 PolarHBondContact O-NZ 2.89Å; R1798-K1802 WeakPolarHBondContact O-CB 3.38Å; R1798-K1802 PolarHBondContact O-N 3.13Å; A1799-K1802 PolarHBondContact O-N 3.02Å; A1800-K1802 VanDerWaalsContact C-N 3.32Å; A1800-K1802 PolarHBondContact O-N 3.2Å; K1802-A1804 VanDerWaalsContact C-N 3.34Å; K1802-A1804 PolarHBondContact O-N 3.46Å; K1802-K1805 CarbonylContact O-C 3.56Å; K1802-K1805 PolarHBondContact O-N 3.21Å; K1802-Q1806 HydrophobicContact CG-CG 4.45Å; K1802-Q1806 VanDerWaalsContact CG-OE1 3.24Å; K1802-Q1806 VanDerWaalsContact O-CB 3.28Å; K1802-Q1806 WeakPolarHBondContact O-CB 3.33Å; K1802-Q1806 VanDerWaalsContact O-CG 3.25Å; K1802-Q1806 WeakPolarHBondContact O-CG 3.37Å; K1802-Q1806 PolarHBondContact O-N 3.16Å |
| 1803 | S | 86.7 | Confident | 84.6 | Confident | 6 Ų | 6 | 52.7 Ų | 52.7 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 178.2 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | A1799 A1800 E1801 Q1806 G1807 A1808 K1811 | A1799-S1803 VanDerWaalsContact O-CB 3.3Å; A1799-S1803 WeakPolarHBondContact O-CB 3.32Å; A1799-S1803 PolarHBondContact O-N 3.27Å; A1799-S1803 PolarHBondContact O-OG 3.08Å; A1800-S1803 PolarHBondContact O-N 3.29Å; A1800-S1803 VanDerWaalsContact O-N 3.13Å; E1801-S1803 VanDerWaalsContact C-N 3.34Å; S1803-Q1806 CarbonylContact O-C 3.51Å; S1803-Q1806 PolarHBondContact O-N 3.12Å; S1803-G1807 PolarHBondContact O-N 3.1Å; S1803-A1808 WeakPolarHBondContact O-CA 3.3Å; S1803-A1808 PolarHBondContact O-N 3.1Å; S1803-K1811 WeakPolarHBondContact OG-CG 3.38Å |
| 1804 | A | 83.1 | Confident | 85.5 | Confident | 58.2 Ų | 58.2 | 56.2 Ų | 56.2 | 48% | 0.481 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.6 | -47.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1800 E1801 K1802 Q1806 G1807 A1812 | A1800-A1804 WeakPolarHBondContact O-CB 3.42Å; A1800-A1804 PolarHBondContact O-N 3.22Å; E1801-A1804 PolarHBondContact O-N 3.16Å; K1802-A1804 VanDerWaalsContact C-N 3.34Å; K1802-A1804 PolarHBondContact O-N 3.46Å; A1804-Q1806 VanDerWaalsContact C-N 3.27Å; A1804-Q1806 PolarHBondContact O-N 3.06Å; A1804-Q1806 VanDerWaalsContact O-N 3.16Å; A1804-G1807 PolarHBondContact O-N 3.32Å; A1804-G1807 VanDerWaalsContact O-N 3.12Å; A1804-A1812 HydrophobicContact CB-CB 4.3Å |
| 1805 | K | 81.7 | Confident | 85.8 | Confident | 149 Ų | 149 | 56.5 Ų | 56.5 | 65% | 0.648 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.6 | -21 | 176.2 | -71.5 | 165 | -176.6 | 168.3 | 0 | 113.2 | E1801 K1802 G1807 | E1801-K1805 HydrophobicContact CB-CD 4.47Å; E1801-K1805 VanDerWaalsContact O-CB 3.27Å; E1801-K1805 WeakPolarHBondContact O-CB 3.34Å; E1801-K1805 WeakPolarHBondContact O-CD 3.44Å; E1801-K1805 VanDerWaalsContact O-CG 3.24Å; E1801-K1805 WeakPolarHBondContact O-CG 3.33Å; E1801-K1805 PolarHBondContact O-N 2.93Å; E1801-K1805 IonicContact OE2-NZ 3.2Å; E1801-K1805 PolarHBondContact OE2-NZ 3.21Å; K1802-K1805 CarbonylContact O-C 3.56Å; K1802-K1805 PolarHBondContact O-N 3.21Å; K1805-G1807 VanDerWaalsContact C-N 3.32Å |
| 1806 | Q | 84.4 | Confident | 85.7 | Confident | 136.8 Ų | 136.8 | 59.4 Ų | 59.4 | 64% | 0.639 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 3.4 | 174.4 | -70.7 | -177.1 | -45.5 | 0 | 0 | 113.5 | K1802 S1803 A1804 A1808 | K1802-Q1806 HydrophobicContact CG-CG 4.45Å; K1802-Q1806 VanDerWaalsContact CG-OE1 3.24Å; K1802-Q1806 VanDerWaalsContact O-CB 3.28Å; K1802-Q1806 WeakPolarHBondContact O-CB 3.33Å; K1802-Q1806 VanDerWaalsContact O-CG 3.25Å; K1802-Q1806 WeakPolarHBondContact O-CG 3.37Å; K1802-Q1806 PolarHBondContact O-N 3.16Å; S1803-Q1806 CarbonylContact O-C 3.51Å; S1803-Q1806 PolarHBondContact O-N 3.12Å; A1804-Q1806 VanDerWaalsContact C-N 3.27Å; A1804-Q1806 PolarHBondContact O-N 3.06Å; A1804-Q1806 VanDerWaalsContact O-N 3.16Å; Q1806-A1808 PolarHBondContact O-N 3.04Å; Q1806-A1808 VanDerWaalsContact O-N 3.14Å |
| 1807 | G | 81.7 | Confident | 85.8 | Confident | 65.8 Ų | 65.8 | 63.8 Ų | 63.8 | 68% | 0.678 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 4.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | S1803 A1804 K1805 A1809 | S1803-G1807 PolarHBondContact O-N 3.1Å; A1804-G1807 PolarHBondContact O-N 3.32Å; A1804-G1807 VanDerWaalsContact O-N 3.12Å; K1805-G1807 VanDerWaalsContact C-N 3.32Å; G1807-A1809 VanDerWaalsContact C-N 3.28Å; G1807-A1809 PolarHBondContact O-N 3.1Å; G1807-A1809 VanDerWaalsContact O-N 3.1Å |
| 1808 | A | 87.1 | Confident | 86.1 | Confident | 37.6 Ų | 37.6 | 63.8 Ų | 63.8 | 31% | 0.311 | 36% | 0.359 | S | S | . | . | trans | -82.8 | 65.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | S1803 Q1806 D1810 K1811 A1812 | S1803-A1808 WeakPolarHBondContact O-CA 3.3Å; S1803-A1808 PolarHBondContact O-N 3.1Å; Q1806-A1808 PolarHBondContact O-N 3.04Å; Q1806-A1808 VanDerWaalsContact O-N 3.14Å; A1808-D1810 VanDerWaalsContact C-N 3.33Å; A1808-D1810 PolarHBondContact O-N 3.21Å; A1808-K1811 HydrophobicContact CB-CB 4.24Å; A1808-K1811 HydrophobicContact CB-CD 4.21Å; A1808-K1811 HydrophobicContact CB-CG 4.38Å; A1808-K1811 PolarHBondContact O-N 3.19Å; A1808-K1811 VanDerWaalsContact O-N 3.12Å; A1808-A1812 PolarHBondContact O-N 3.17Å | ||
| 1809 | A | 83.9 | Confident | 86.3 | Confident | 61.4 Ų | 61.4 | 62.2 Ų | 62.2 | 51% | 0.507 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -54.4 | -46.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1807 K1811 A1812 Q1813 | G1807-A1809 VanDerWaalsContact C-N 3.28Å; G1807-A1809 PolarHBondContact O-N 3.1Å; G1807-A1809 VanDerWaalsContact O-N 3.1Å; A1809-K1811 VanDerWaalsContact C-N 3.3Å; A1809-K1811 PolarHBondContact O-N 3.06Å; A1809-A1812 WeakPolarHBondContact O-CA 3.23Å; A1809-A1812 WeakPolarHBondContact O-CB 3.31Å; A1809-A1812 PolarHBondContact O-N 3.04Å; A1809-A1812 VanDerWaalsContact O-N 3.11Å; A1809-Q1813 WeakPolarHBondContact O-CB 3.18Å; A1809-Q1813 WeakPolarHBondContact O-CG 3.49Å; A1809-Q1813 PolarHBondContact O-N 3.08Å |
| 1810 | D | 88.5 | Confident | 86.5 | Confident | 130 Ų | 130 | 66.3 Ų | 66.3 | 70% | 0.695 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.7 | -40.9 | 179.7 | -51.4 | -33.1 | 0 | 0 | 0 | 112 | A1808 A1812 Q1813 T1814 | A1808-D1810 VanDerWaalsContact C-N 3.33Å; A1808-D1810 PolarHBondContact O-N 3.21Å; D1810-A1812 VanDerWaalsContact C-N 3.35Å; D1810-A1812 PolarHBondContact O-N 3.16Å; D1810-Q1813 PolarHBondContact O-N 3.15Å; D1810-T1814 WeakPolarHBondContact O-CB 3.41Å; D1810-T1814 PolarHBondContact O-N 2.86Å; D1810-T1814 PolarHBondContact O-OG1 3.22Å |
| 1811 | K | 87.8 | Confident | 86.7 | Confident | 110.6 Ų | 110.6 | 68.7 Ų | 68.7 | 48% | 0.481 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.6 | -40 | 176.3 | -161.1 | 171.5 | -179.7 | 167 | 0 | 111.2 | E1778 S1803 A1808 A1809 Q1813 T1814 I1815 | E1778-K1811 IonicContact OE2-NZ 3.16Å; E1778-K1811 PolarHBondContact OE2-NZ 2.96Å; S1803-K1811 WeakPolarHBondContact OG-CG 3.38Å; A1808-K1811 HydrophobicContact CB-CB 4.24Å; A1808-K1811 HydrophobicContact CB-CD 4.21Å; A1808-K1811 HydrophobicContact CB-CG 4.38Å; A1808-K1811 PolarHBondContact O-N 3.19Å; A1808-K1811 VanDerWaalsContact O-N 3.12Å; A1809-K1811 VanDerWaalsContact C-N 3.3Å; A1809-K1811 PolarHBondContact O-N 3.06Å; K1811-Q1813 VanDerWaalsContact C-N 3.32Å; K1811-T1814 PolarHBondContact O-N 3.07Å; K1811-I1815 HydrophobicContact CG-CD1 3.97Å; K1811-I1815 HydrophobicContact CG-CG1 4.48Å; K1811-I1815 VanDerWaalsContact O-CD1 3.3Å; K1811-I1815 WeakPolarHBondContact O-CD1 3.35Å; K1811-I1815 VanDerWaalsContact O-CG1 3.24Å; K1811-I1815 WeakPolarHBondContact O-CG1 3.41Å; K1811-I1815 PolarHBondContact O-N 3.03Å; K1811-I1815 VanDerWaalsContact O-N 3.08Å |
| 1812 | A | 86 | Confident | 87.1 | Confident | 5.6 Ų | 5.6 | 70.3 Ų | 70.3 | 5% | 0.046 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1804 A1808 A1809 D1810 T1814 I1815 M1816 | A1804-A1812 HydrophobicContact CB-CB 4.3Å; A1808-A1812 PolarHBondContact O-N 3.17Å; A1809-A1812 WeakPolarHBondContact O-CA 3.23Å; A1809-A1812 WeakPolarHBondContact O-CB 3.31Å; A1809-A1812 PolarHBondContact O-N 3.04Å; A1809-A1812 VanDerWaalsContact O-N 3.11Å; D1810-A1812 VanDerWaalsContact C-N 3.35Å; D1810-A1812 PolarHBondContact O-N 3.16Å; A1812-T1814 PolarHBondContact O-N 3.28Å; A1812-I1815 PolarHBondContact O-N 3.18Å; A1812-M1816 VanDerWaalsContact O-CG 3.31Å; A1812-M1816 WeakPolarHBondContact O-CG 3.42Å; A1812-M1816 PolarHBondContact O-N 3.03Å |
| 1813 | Q | 87.6 | Confident | 87.4 | Confident | 110.2 Ų | 110.2 | 67.7 Ų | 67.7 | 52% | 0.515 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65 | -40 | 177.4 | -158.7 | -172 | -10.8 | 0 | 0 | 112.4 | A1809 D1810 K1811 I1815 M1816 Q1817 | A1809-Q1813 WeakPolarHBondContact O-CB 3.18Å; A1809-Q1813 WeakPolarHBondContact O-CG 3.49Å; A1809-Q1813 PolarHBondContact O-N 3.08Å; D1810-Q1813 PolarHBondContact O-N 3.15Å; K1811-Q1813 VanDerWaalsContact C-N 3.32Å; Q1813-I1815 VanDerWaalsContact C-N 3.32Å; Q1813-I1815 PolarHBondContact O-N 3.14Å; Q1813-M1816 PolarHBondContact O-N 3.1Å; Q1813-Q1817 WeakPolarHBondContact O-CB 3.48Å; Q1813-Q1817 VanDerWaalsContact O-CG 3.31Å; Q1813-Q1817 WeakPolarHBondContact O-CG 3.35Å; Q1813-Q1817 PolarHBondContact O-N 3.12Å |
| 1814 | T | 90.8 | Very high | 87.6 | Confident | 86.4 Ų | 86.4 | 69.6 Ų | 69.6 | 53% | 0.53 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 173.8 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | D1810 K1811 A1812 Q1817 A1818 | D1810-T1814 WeakPolarHBondContact O-CB 3.41Å; D1810-T1814 PolarHBondContact O-N 2.86Å; D1810-T1814 PolarHBondContact O-OG1 3.22Å; K1811-T1814 PolarHBondContact O-N 3.07Å; A1812-T1814 PolarHBondContact O-N 3.28Å; T1814-Q1817 PolarHBondContact O-N 3.31Å; T1814-A1818 PolarHBondContact O-N 3.05Å; T1814-A1818 VanDerWaalsContact O-N 3.09Å |
| 1815 | I | 88.3 | Confident | 88 | Confident | 21.8 Ų | 21.8 | 71.1 Ų | 71.1 | 11% | 0.112 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -69.4 | -40.2 | 176.9 | -62.9 | 160.1 | 0 | 0 | 0 | 110.7 | L1796 A1799 A1800 K1811 A1812 Q1813 Q1817 A1818 I1819 | L1796-I1815 HydrophobicContact CB-CG2 4.22Å; L1796-I1815 HydrophobicContact CD2-CG2 4.43Å; L1796-I1815 WeakPolarHBondContact O-CG2 3.34Å; A1799-I1815 HydrophobicContact CB-CD1 3.76Å; A1800-I1815 HydrophobicContact CB-CB 4.22Å; A1800-I1815 HydrophobicContact CB-CG2 3.87Å; K1811-I1815 HydrophobicContact CG-CD1 3.97Å; K1811-I1815 HydrophobicContact CG-CG1 4.48Å; K1811-I1815 VanDerWaalsContact O-CD1 3.3Å; K1811-I1815 WeakPolarHBondContact O-CD1 3.35Å; K1811-I1815 VanDerWaalsContact O-CG1 3.24Å; K1811-I1815 WeakPolarHBondContact O-CG1 3.41Å; K1811-I1815 PolarHBondContact O-N 3.03Å; K1811-I1815 VanDerWaalsContact O-N 3.08Å; A1812-I1815 PolarHBondContact O-N 3.18Å; Q1813-I1815 VanDerWaalsContact C-N 3.32Å; Q1813-I1815 PolarHBondContact O-N 3.14Å; I1815-Q1817 VanDerWaalsContact C-N 3.32Å; I1815-Q1817 PolarHBondContact O-N 3.2Å; I1815-A1818 WeakPolarHBondContact O-CB 3.28Å; I1815-A1818 PolarHBondContact O-N 3.2Å; I1815-A1818 VanDerWaalsContact O-N 3.12Å; I1815-I1819 HydrophobicContact CG2-CD1 4.19Å; I1815-I1819 WeakPolarHBondContact O-CG1 3.44Å; I1815-I1819 PolarHBondContact O-N 3.23Å |
| 1816 | M | 86.8 | Confident | 88.4 | Confident | 62.8 Ų | 62.8 | 65.5 Ų | 65.5 | 31% | 0.309 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 173.5 | -72 | 167.5 | 174.6 | 0 | 0 | 112.1 | A1812 Q1813 A1818 I1819 K1820 L1860 | A1812-M1816 VanDerWaalsContact O-CG 3.31Å; A1812-M1816 WeakPolarHBondContact O-CG 3.42Å; A1812-M1816 PolarHBondContact O-N 3.03Å; Q1813-M1816 PolarHBondContact O-N 3.1Å; M1816-A1818 VanDerWaalsContact C-N 3.33Å; M1816-A1818 PolarHBondContact O-N 3.39Å; M1816-I1819 PolarHBondContact O-N 3Å; M1816-K1820 WeakPolarHBondContact O-CB 3.35Å; M1816-K1820 PolarHBondContact O-N 3.13Å; M1816-L1860 HydrophobicContact CB-CD2 4.25Å; M1816-L1860 WeakPolarHBondContact O-CD2 3.39Å |
| 1817 | Q | 89.9 | Confident | 88.6 | Confident | 117.2 Ų | 117.2 | 61 Ų | 61 | 55% | 0.548 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64 | -38.7 | 172.9 | -74.1 | 171.8 | -4.2 | 0 | 0 | 112 | Q1813 T1814 I1815 K1820 A1821 | Q1813-Q1817 WeakPolarHBondContact O-CB 3.48Å; Q1813-Q1817 VanDerWaalsContact O-CG 3.31Å; Q1813-Q1817 WeakPolarHBondContact O-CG 3.35Å; Q1813-Q1817 PolarHBondContact O-N 3.12Å; T1814-Q1817 PolarHBondContact O-N 3.31Å; I1815-Q1817 VanDerWaalsContact C-N 3.32Å; I1815-Q1817 PolarHBondContact O-N 3.2Å; Q1817-K1820 PolarHBondContact O-N 3.1Å; Q1817-A1821 WeakPolarHBondContact O-CB 3.37Å; Q1817-A1821 PolarHBondContact O-N 3.25Å |
| 1818 | A | 89.2 | Confident | 89.1 | Confident | 45.4 Ų | 45.4 | 64.1 Ų | 64.1 | 38% | 0.375 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1814 I1815 M1816 K1820 A1821 L1822 | T1814-A1818 PolarHBondContact O-N 3.05Å; T1814-A1818 VanDerWaalsContact O-N 3.09Å; I1815-A1818 WeakPolarHBondContact O-CB 3.28Å; I1815-A1818 PolarHBondContact O-N 3.2Å; I1815-A1818 VanDerWaalsContact O-N 3.12Å; M1816-A1818 VanDerWaalsContact C-N 3.33Å; M1816-A1818 PolarHBondContact O-N 3.39Å; A1818-K1820 VanDerWaalsContact C-N 3.33Å; A1818-K1820 PolarHBondContact O-N 3.43Å; A1818-A1821 WeakPolarHBondContact O-CB 3.42Å; A1818-A1821 PolarHBondContact O-N 3.17Å; A1818-L1822 WeakPolarHBondContact O-CG 3.37Å; A1818-L1822 PolarHBondContact O-N 3.09Å |
| 1819 | I | 89 | Confident | 89.2 | Confident | 5.4 Ų | 5.4 | 67.8 Ų | 67.8 | 3% | 0.028 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.5 | -45 | 174 | -65.7 | 167.2 | 0 | 0 | 0 | 110.4 | Y1738 L1796 Q1797 I1815 M1816 A1821 L1822 M1823 I1859 L1860 | Y1738-I1819 HydrophobicContact CD2-CG2 4.19Å; Y1738-I1819 HydrophobicContact CE2-CG1 4.49Å; Y1738-I1819 HydrophobicContact CE2-CG2 3.93Å; L1796-I1819 HydrophobicContact CB-CD1 3.94Å; L1796-I1819 HydrophobicContact CB-CG1 3.86Å; L1796-I1819 HydrophobicContact CD1-CG1 4.01Å; Q1797-I1819 HydrophobicContact CG-CD1 4.42Å; I1815-I1819 HydrophobicContact CG2-CD1 4.19Å; I1815-I1819 WeakPolarHBondContact O-CG1 3.44Å; I1815-I1819 PolarHBondContact O-N 3.23Å; M1816-I1819 PolarHBondContact O-N 3Å; I1819-A1821 VanDerWaalsContact C-N 3.32Å; I1819-A1821 PolarHBondContact O-N 3.28Å; I1819-L1822 PolarHBondContact O-N 2.98Å; I1819-M1823 HydrophobicContact CG2-CE 3.77Å; I1819-M1823 HydrophobicContact CG2-SD 4.22Å; I1819-M1823 VanDerWaalsContact O-CG 3.32Å; I1819-M1823 WeakPolarHBondContact O-CG 3.35Å; I1819-M1823 PolarHBondContact O-N 3.17Å; I1819-I1859 HydrophobicContact CG2-CG2 4.19Å; I1819-L1860 HydrophobicContact CB-CD2 4.1Å; I1819-L1860 HydrophobicContact CG2-CD2 3.91Å |
| 1820 | K | 91.2 | Very high | 89.5 | Confident | 89.4 Ų | 89.4 | 68.1 Ų | 68.1 | 39% | 0.389 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 174.7 | -178.2 | 172.5 | 176.3 | 77.9 | 0 | 112.5 | M1816 Q1817 A1818 L1822 M1823 S1824 E1856 L1860 | M1816-K1820 WeakPolarHBondContact O-CB 3.35Å; M1816-K1820 PolarHBondContact O-N 3.13Å; Q1817-K1820 PolarHBondContact O-N 3.1Å; A1818-K1820 VanDerWaalsContact C-N 3.33Å; A1818-K1820 PolarHBondContact O-N 3.43Å; K1820-L1822 VanDerWaalsContact C-N 3.35Å; K1820-L1822 PolarHBondContact O-N 3.16Å; K1820-M1823 HydrophobicContact CB-CE 4.41Å; K1820-M1823 PolarHBondContact O-N 3.24Å; K1820-S1824 WeakPolarHBondContact O-CB 3.35Å; K1820-S1824 PolarHBondContact O-N 2.96Å; K1820-S1824 PolarHBondContact O-OG 3.15Å; K1820-E1856 VanDerWaalsContact CD-OE1 3.31Å; K1820-E1856 WeakPolarHBondContact CD-OE1 3.36Å; K1820-E1856 WeakPolarHBondContact CE-OE1 3.22Å; K1820-E1856 VanDerWaalsContact CG-OE1 3.26Å; K1820-E1856 WeakPolarHBondContact CG-OE1 3.32Å; K1820-E1856 IonicContact NZ-OE1 2.78Å; K1820-E1856 PolarHBondContact NZ-OE1 2.92Å; K1820-E1856 IonicContact NZ-OE2 3.06Å; K1820-E1856 PolarHBondContact NZ-OE2 3.2Å; K1820-L1860 HydrophobicContact CB-CD1 4.39Å; K1820-L1860 HydrophobicContact CB-CD2 4.35Å |
| 1821 | A | 90.8 | Very high | 89.7 | Confident | 57 Ų | 57 | 64.3 Ų | 64.3 | 47% | 0.471 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1817 A1818 I1819 M1823 S1824 Q1825 | Q1817-A1821 WeakPolarHBondContact O-CB 3.37Å; Q1817-A1821 PolarHBondContact O-N 3.25Å; A1818-A1821 WeakPolarHBondContact O-CB 3.42Å; A1818-A1821 PolarHBondContact O-N 3.17Å; I1819-A1821 VanDerWaalsContact C-N 3.32Å; I1819-A1821 PolarHBondContact O-N 3.28Å; A1821-M1823 PolarHBondContact O-N 3.04Å; A1821-S1824 PolarHBondContact O-N 3.28Å; A1821-Q1825 WeakPolarHBondContact O-CB 3.43Å; A1821-Q1825 PolarHBondContact O-N 3.17Å |
| 1822 | L | 90.2 | Very high | 89.9 | Confident | 65 Ų | 65 | 63.8 Ų | 63.8 | 34% | 0.34 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 175.4 | -69.8 | 170.6 | 0 | 0 | 0 | 112.5 | Y1738 L1796 A1818 I1819 K1820 S1824 Q1825 R1826 | Y1738-L1822 HydrophobicContact CE2-CD1 4.45Å; L1796-L1822 HydrophobicContact CD1-CD1 3.58Å; A1818-L1822 WeakPolarHBondContact O-CG 3.37Å; A1818-L1822 PolarHBondContact O-N 3.09Å; I1819-L1822 PolarHBondContact O-N 2.98Å; K1820-L1822 VanDerWaalsContact C-N 3.35Å; K1820-L1822 PolarHBondContact O-N 3.16Å; L1822-S1824 VanDerWaalsContact C-N 3.35Å; L1822-Q1825 PolarHBondContact O-N 3.14Å; L1822-R1826 WeakPolarHBondContact O-CB 3.33Å; L1822-R1826 PolarHBondContact O-N 3.28Å |
| 1823 | M | 90.9 | Very high | 90.2 | Very high | 0.2 Ų | 0.2 | 63.7 Ų | 63.7 | 0% | 0.001 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 174.8 | -68 | 177.9 | -106.8 | 0 | 0 | 111.6 | L1737 Y1738 I1819 K1820 A1821 Q1825 R1826 I1827 E1856 I1859 L1860 | L1737-M1823 HydrophobicContact CB-CG 4.42Å; L1737-M1823 HydrophobicContact CB-SD 4.34Å; L1737-M1823 HydrophobicContact CD1-CB 3.8Å; L1737-M1823 HydrophobicContact CD1-CG 4.27Å; L1737-M1823 HydrophobicContact CD2-SD 4.2Å; L1737-M1823 HydrophobicContact CG-CB 3.97Å; L1737-M1823 HydrophobicContact CG-CG 3.9Å; L1737-M1823 HydrophobicContact CG-SD 4.1Å; L1737-M1823 WeakPolarHBondContact O-CG 3.3Å; Y1738-M1823 HydrophobicContact CD2-CE 3.98Å; Y1738-M1823 HydrophobicContact CD2-CG 4.26Å; Y1738-M1823 HydrophobicContact CG-CE 4.22Å; I1819-M1823 HydrophobicContact CG2-CE 3.77Å; I1819-M1823 HydrophobicContact CG2-SD 4.22Å; I1819-M1823 VanDerWaalsContact O-CG 3.32Å; I1819-M1823 WeakPolarHBondContact O-CG 3.35Å; I1819-M1823 PolarHBondContact O-N 3.17Å; K1820-M1823 HydrophobicContact CB-CE 4.41Å; K1820-M1823 PolarHBondContact O-N 3.24Å; A1821-M1823 PolarHBondContact O-N 3.04Å; M1823-Q1825 VanDerWaalsContact C-N 3.32Å; M1823-Q1825 PolarHBondContact O-N 2.89Å; M1823-R1826 PolarHBondContact O-N 3.25Å; M1823-I1827 WeakPolarHBondContact O-CD1 3.42Å; M1823-I1827 WeakPolarHBondContact O-CG1 3.33Å; M1823-I1827 PolarHBondContact O-N 3.01Å; M1823-I1827 VanDerWaalsContact O-N 3.1Å; M1823-E1856 HydrophobicContact CE-CB 4.43Å; M1823-E1856 HydrophobicContact CE-CG 3.32Å; M1823-E1856 HydrophobicContact SD-CB 4.5Å; M1823-E1856 HydrophobicContact SD-CG 3.81Å; M1823-E1856 VanDerWaalsContact SD-CG 3.55Å; M1823-I1859 HydrophobicContact CE-CB 3.49Å; M1823-I1859 VanDerWaalsContact CE-CB 3.49Å; M1823-I1859 HydrophobicContact CE-CD1 3.85Å; M1823-I1859 HydrophobicContact CE-CG1 4.29Å; M1823-I1859 HydrophobicContact CE-CG2 3.82Å; M1823-I1859 HydrophobicContact SD-CB 3.97Å; M1823-I1859 HydrophobicContact SD-CD1 3.75Å; M1823-I1859 HydrophobicContact SD-CG1 4.4Å; M1823-I1859 HydrophobicContact SD-CG2 3.79Å; M1823-L1860 HydrophobicContact CE-CD1 4.38Å; M1823-L1860 HydrophobicContact CE-CD2 3.85Å; M1823-L1860 HydrophobicContact CE-CG 3.93Å |
| 1824 | S | 91.2 | Very high | 90.5 | Very high | 46 Ų | 46 | 58.6 Ų | 58.6 | 32% | 0.322 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 176.2 | -57.5 | 0 | 0 | 0 | 0 | 111.9 | K1820 A1821 L1822 R1826 I1827 N1828 | K1820-S1824 WeakPolarHBondContact O-CB 3.35Å; K1820-S1824 PolarHBondContact O-N 2.96Å; K1820-S1824 PolarHBondContact O-OG 3.15Å; A1821-S1824 PolarHBondContact O-N 3.28Å; L1822-S1824 VanDerWaalsContact C-N 3.35Å; S1824-R1826 VanDerWaalsContact C-N 3.34Å; S1824-R1826 PolarHBondContact O-N 3.35Å; S1824-I1827 PolarHBondContact O-N 2.96Å; S1824-N1828 VanDerWaalsContact O-CG 3.28Å; S1824-N1828 PolarHBondContact O-N 3.1Å; S1824-N1828 VanDerWaalsContact O-N 3.14Å; S1824-N1828 PolarHBondContact O-ND2 3.04Å |
| 1825 | Q | 90.2 | Very high | 90.6 | Very high | 90 Ų | 90 | 58.6 Ų | 58.6 | 42% | 0.421 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 173.5 | 179.8 | 178.9 | -6.2 | 0 | 0 | 111.1 | A1821 L1822 M1823 I1827 N1828 E1829 | A1821-Q1825 WeakPolarHBondContact O-CB 3.43Å; A1821-Q1825 PolarHBondContact O-N 3.17Å; L1822-Q1825 PolarHBondContact O-N 3.14Å; M1823-Q1825 VanDerWaalsContact C-N 3.32Å; M1823-Q1825 PolarHBondContact O-N 2.89Å; Q1825-I1827 VanDerWaalsContact C-N 3.34Å; Q1825-I1827 PolarHBondContact O-N 3.08Å; Q1825-N1828 PolarHBondContact O-N 3.17Å; Q1825-N1828 VanDerWaalsContact O-N 3.11Å; Q1825-E1829 VanDerWaalsContact CG-CD 3.45Å; Q1825-E1829 HydrophobicContact CG-CG 4.15Å; Q1825-E1829 WeakPolarHBondContact CG-OE1 3.38Å; Q1825-E1829 PolarHBondContact NE2-OE1 3.11Å; Q1825-E1829 WeakPolarHBondContact O-CB 3.36Å; Q1825-E1829 WeakPolarHBondContact O-CG 3.35Å; Q1825-E1829 PolarHBondContact O-N 3.07Å |
| 1826 | R | 90.4 | Very high | 90.8 | Very high | 30.6 Ų | 30.6 | 58.5 Ų | 58.5 | 12% | 0.115 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.6 | -40.1 | 179.6 | -176.4 | 59.1 | 171.6 | -140.8 | -0.6 | 113.1 | S1742 L1822 M1823 S1824 N1828 M1830 F1834 E2059 | S1742-R1826 PolarHBondContact OG-NH1 3.27Å; L1822-R1826 WeakPolarHBondContact O-CB 3.33Å; L1822-R1826 PolarHBondContact O-N 3.28Å; M1823-R1826 PolarHBondContact O-N 3.25Å; S1824-R1826 VanDerWaalsContact C-N 3.34Å; S1824-R1826 PolarHBondContact O-N 3.35Å; R1826-N1828 VanDerWaalsContact C-N 3.27Å; R1826-N1828 PolarHBondContact O-N 3.18Å; R1826-M1830 PolarHBondContact O-N 3.18Å; R1826-M1830 VanDerWaalsContact O-N 3.11Å; R1826-F1834 HydrophobicContact CG-CE2 4.38Å; R1826-F1834 HydrophobicContact CG-CZ 4.21Å; R1826-E2059 IonicContact NH2-OE1 2.7Å |
| 1827 | I | 90 | Very high | 91.1 | Very high | 43.6 Ų | 43.6 | 55.6 Ų | 55.6 | 22% | 0.224 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63 | -41.8 | 174.9 | -65 | 158.5 | 0 | 0 | 0 | 110.9 | L1737 M1823 S1824 Q1825 P1831 F1834 L1852 | L1737-I1827 HydrophobicContact CD1-CD1 3.59Å; L1737-I1827 HydrophobicContact CD1-CG1 3.7Å; L1737-I1827 HydrophobicContact CD2-CD1 3.67Å; L1737-I1827 HydrophobicContact CD2-CG1 3.75Å; M1823-I1827 WeakPolarHBondContact O-CD1 3.42Å; M1823-I1827 WeakPolarHBondContact O-CG1 3.33Å; M1823-I1827 PolarHBondContact O-N 3.01Å; M1823-I1827 VanDerWaalsContact O-N 3.1Å; S1824-I1827 PolarHBondContact O-N 2.96Å; Q1825-I1827 VanDerWaalsContact C-N 3.34Å; Q1825-I1827 PolarHBondContact O-N 3.08Å; I1827-P1831 VanDerWaalsContact O-CA 3.31Å; I1827-P1831 WeakPolarHBondContact O-CA 3.4Å; I1827-P1831 WeakPolarHBondContact O-CB 3.36Å; I1827-P1831 WeakPolarHBondContact O-CD 3.47Å; I1827-F1834 HydrophobicContact CB-CE2 4.45Å; I1827-F1834 HydrophobicContact CG1-CD2 4.45Å; I1827-F1834 HydrophobicContact CG1-CE2 4.08Å; I1827-F1834 HydrophobicContact CG1-CZ 4.16Å; I1827-L1852 HydrophobicContact CD1-CD1 4.29Å; I1827-L1852 HydrophobicContact CD1-CD2 3.85Å; I1827-L1852 HydrophobicContact CD1-CG 4.35Å; I1827-L1852 HydrophobicContact CG1-CD1 4.41Å; I1827-L1852 HydrophobicContact CG1-CD2 4.38Å |
| 1828 | N | 90.7 | Very high | 91.2 | Very high | 130.6 Ų | 130.6 | 50.3 Ų | 50.3 | 70% | 0.698 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -75 | -34.3 | -178.6 | -69 | -29.3 | 0 | 0 | 0 | 113.4 | S1824 Q1825 R1826 | S1824-N1828 VanDerWaalsContact O-CG 3.28Å; S1824-N1828 PolarHBondContact O-N 3.1Å; S1824-N1828 VanDerWaalsContact O-N 3.14Å; S1824-N1828 PolarHBondContact O-ND2 3.04Å; Q1825-N1828 PolarHBondContact O-N 3.17Å; Q1825-N1828 VanDerWaalsContact O-N 3.11Å; R1826-N1828 VanDerWaalsContact C-N 3.27Å; R1826-N1828 PolarHBondContact O-N 3.18Å |
| 1829 | E | 90.7 | Very high | 91.4 | Very high | 115.2 Ų | 115.2 | 52.7 Ų | 52.7 | 54% | 0.538 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -79.6 | -34.8 | -178.8 | -74.2 | 178.3 | 173.4 | 0 | 0 | 113 | Y1015 Q1825 P1831 | Y1015-E1829 PolarHBondContact OH-OE1 3.23Å; Y1015-E1829 PolarHBondContact OH-OE2 2.98Å; Q1825-E1829 VanDerWaalsContact CG-CD 3.45Å; Q1825-E1829 HydrophobicContact CG-CG 4.15Å; Q1825-E1829 WeakPolarHBondContact CG-OE1 3.38Å; Q1825-E1829 PolarHBondContact NE2-OE1 3.11Å; Q1825-E1829 WeakPolarHBondContact O-CB 3.36Å; Q1825-E1829 WeakPolarHBondContact O-CG 3.35Å; Q1825-E1829 PolarHBondContact O-N 3.07Å; E1829-P1831 VanDerWaalsContact C-CD 3.49Å |
| 1830 | M | 89.7 | Confident | 91.5 | Very high | 68 Ų | 68 | 52.7 Ų | 52.7 | 34% | 0.335 | 28% | 0.282 | S | S | . | . | trans | -136.8 | 66.3 | 179.7 | -69.7 | -168.8 | -75.7 | 0 | 0 | 111.9 | R1826 D1832 L1833 F1834 | R1826-M1830 PolarHBondContact O-N 3.18Å; R1826-M1830 VanDerWaalsContact O-N 3.11Å; M1830-D1832 PolarHBondContact O-N 3.15Å; M1830-L1833 HydrophobicContact CB-CD1 3.69Å; M1830-L1833 HydrophobicContact CB-CG 4.15Å; M1830-L1833 HydrophobicContact CE-CD1 3.89Å; M1830-L1833 HydrophobicContact CG-CD1 4.38Å; M1830-L1833 PolarHBondContact O-N 3.08Å; M1830-L1833 HydrophobicContact SD-CD1 4.18Å; M1830-F1834 WeakPolarHBondContact O-CD2 3.29Å | ||
| 1831 | P | 91.8 | Very high | 91.6 | Very high | 49.6 Ų | 49.6 | 49.5 Ų | 49.5 | 32% | 0.322 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.7 | -29.3 | 178.5 | 26.6 | -35.4 | 0 | 0 | 0 | 112.3 | I1827 E1829 L1833 F1834 N1835 | I1827-P1831 VanDerWaalsContact O-CA 3.31Å; I1827-P1831 WeakPolarHBondContact O-CA 3.4Å; I1827-P1831 WeakPolarHBondContact O-CB 3.36Å; I1827-P1831 WeakPolarHBondContact O-CD 3.47Å; E1829-P1831 VanDerWaalsContact C-CD 3.49Å; P1831-L1833 VanDerWaalsContact C-N 3.26Å; P1831-L1833 PolarHBondContact O-N 3.16Å; P1831-F1834 PolarHBondContact O-N 3.15Å; P1831-F1834 VanDerWaalsContact O-N 3.11Å; P1831-N1835 VanDerWaalsContact O-CG 3.31Å; P1831-N1835 PolarHBondContact O-N 3.26Å; P1831-N1835 PolarHBondContact O-ND2 3.33Å |
| 1832 | D | 92.5 | Very high | 91.5 | Very high | 100.4 Ų | 100.4 | 54 Ų | 54 | 54% | 0.537 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.9 | -28 | -175.7 | -59.4 | -31.8 | 0 | 0 | 0 | 113.5 | M1830 F1834 L1836 P2052 | M1830-D1832 PolarHBondContact O-N 3.15Å; D1832-F1834 VanDerWaalsContact C-N 3.32Å; D1832-F1834 PolarHBondContact O-N 3.02Å; D1832-L1836 WeakPolarHBondContact O-CB 3.33Å; D1832-L1836 PolarHBondContact O-N 3.31Å; D1832-P2052 HydrophobicContact CB-CB 4.46Å; D1832-P2052 HydrophobicContact CB-CG 4.16Å |
| 1833 | L | 92.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.2 | -45.8 | 172 | -68.2 | 169.5 | 0 | 0 | 0 | 111.5 | L1736 M1830 P1831 L1837 P2052 D2055 I2056 | L1736-L1833 HydrophobicContact CD1-CB 4.42Å; L1736-L1833 HydrophobicContact CD2-CB 4.36Å; L1736-L1833 HydrophobicContact CD2-CD1 4.45Å; L1736-L1833 HydrophobicContact CD2-CD2 4.19Å; M1830-L1833 HydrophobicContact CB-CD1 3.69Å; M1830-L1833 HydrophobicContact CB-CG 4.15Å; M1830-L1833 HydrophobicContact CE-CD1 3.89Å; M1830-L1833 HydrophobicContact CG-CD1 4.38Å; M1830-L1833 PolarHBondContact O-N 3.08Å; M1830-L1833 HydrophobicContact SD-CD1 4.18Å; P1831-L1833 VanDerWaalsContact C-N 3.26Å; P1831-L1833 PolarHBondContact O-N 3.16Å; L1833-L1837 WeakPolarHBondContact O-CB 3.34Å; L1833-L1837 PolarHBondContact O-N 3.12Å; L1833-P2052 HydrophobicContact CD2-CB 3.8Å; L1833-P2052 WeakPolarHBondContact CD2-O 3.32Å; L1833-P2052 HydrophobicContact CG-CB 4.36Å; L1833-D2055 HydrophobicContact CD2-CB 3.76Å; L1833-I2056 HydrophobicContact CD2-CG1 3.94Å; L1833-I2056 WeakPolarHBondContact O-CD1 3.42Å |
| 1834 | F | 93.5 | Very high | 91.5 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -78.1 | -42.4 | -176.9 | -56.3 | -81.4 | 0 | 0 | 0 | 110.6 | L1733 L1736 L1737 R1826 I1827 M1830 P1831 D1832 L1836 L1837 G1838 H1848 L1852 | L1733-F1834 HydrophobicContact CD2-CD1 4.05Å; L1736-F1834 HydrophobicContact CB-CD1 4.34Å; L1736-F1834 HydrophobicContact CB-CE1 3.73Å; L1736-F1834 HydrophobicContact CB-CZ 4.08Å; L1737-F1834 HydrophobicContact CB-CE1 4.24Å; L1737-F1834 HydrophobicContact CD1-CE1 4.27Å; L1737-F1834 HydrophobicContact CD1-CZ 4.27Å; L1737-F1834 HydrophobicContact CD2-CE1 3.74Å; L1737-F1834 HydrophobicContact CD2-CZ 4.04Å; L1737-F1834 HydrophobicContact CG-CE1 3.91Å; L1737-F1834 HydrophobicContact CG-CZ 4.48Å; R1826-F1834 HydrophobicContact CG-CE2 4.38Å; R1826-F1834 HydrophobicContact CG-CZ 4.21Å; I1827-F1834 HydrophobicContact CB-CE2 4.45Å; I1827-F1834 HydrophobicContact CG1-CD2 4.45Å; I1827-F1834 HydrophobicContact CG1-CE2 4.08Å; I1827-F1834 HydrophobicContact CG1-CZ 4.16Å; M1830-F1834 WeakPolarHBondContact O-CD2 3.29Å; P1831-F1834 PolarHBondContact O-N 3.15Å; P1831-F1834 VanDerWaalsContact O-N 3.11Å; D1832-F1834 VanDerWaalsContact C-N 3.32Å; D1832-F1834 PolarHBondContact O-N 3.02Å; F1834-L1836 PolarHBondContact O-N 3.19Å; F1834-L1837 PolarHBondContact O-N 3.2Å; F1834-G1838 PolarHBondContact O-N 3.11Å; F1834-H1848 PolarHBondContact O-CE1 3.06Å; F1834-L1852 HydrophobicContact CD1-CD1 3.85Å; F1834-L1852 HydrophobicContact CE1-CD1 4.19Å; F1834-L1852 HydrophobicContact CG-CD1 4.42Å |
| 1835 | N | 91.9 | Very high | 91.4 | Very high | 85.6 Ų | 85.6 | 60.3 Ų | 60.3 | 46% | 0.458 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.6 | -50.5 | 175.6 | -68.3 | -27.5 | 0 | 0 | 0 | 111.5 | P1831 L1837 G1838 L1839 | P1831-N1835 VanDerWaalsContact O-CG 3.31Å; P1831-N1835 PolarHBondContact O-N 3.26Å; P1831-N1835 PolarHBondContact O-ND2 3.33Å; N1835-L1837 VanDerWaalsContact C-N 3.32Å; N1835-L1837 PolarHBondContact O-N 3.12Å; N1835-G1838 PolarHBondContact O-N 3.06Å; N1835-G1838 VanDerWaalsContact O-N 3.15Å; N1835-L1839 WeakPolarHBondContact O-CG 3.36Å; N1835-L1839 PolarHBondContact O-N 3.15Å; N1835-L1839 VanDerWaalsContact O-N 3.08Å |
| 1836 | L | 93.3 | Very high | 91.4 | Very high | 21.4 Ų | 21.4 | 63.8 Ų | 63.8 | 11% | 0.112 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 178.1 | 179.2 | 61.1 | 0 | 0 | 0 | 111.3 | D1832 F1834 G1838 L1839 V1840 Y2021 P2052 A2053 I2056 | D1832-L1836 WeakPolarHBondContact O-CB 3.33Å; D1832-L1836 PolarHBondContact O-N 3.31Å; F1834-L1836 PolarHBondContact O-N 3.19Å; L1836-G1838 VanDerWaalsContact C-N 3.29Å; L1836-G1838 PolarHBondContact O-N 3.11Å; L1836-L1839 PolarHBondContact O-N 3.01Å; L1836-L1839 VanDerWaalsContact O-N 3.15Å; L1836-V1840 HydrophobicContact CD1-CG2 3.87Å; L1836-V1840 HydrophobicContact CG-CG2 4.05Å; L1836-V1840 WeakPolarHBondContact O-CB 3.41Å; L1836-V1840 VanDerWaalsContact O-CG2 3.24Å; L1836-V1840 WeakPolarHBondContact O-CG2 3.39Å; L1836-V1840 PolarHBondContact O-N 3.17Å; L1836-Y2021 HydrophobicContact CD1-CD1 4.03Å; L1836-Y2021 HydrophobicContact CD1-CE1 3.65Å; L1836-P2052 HydrophobicContact CB-CG 4.44Å; L1836-P2052 HydrophobicContact CD2-CG 3.9Å; L1836-A2053 HydrophobicContact CD2-CB 3.89Å; L1836-I2056 HydrophobicContact CB-CD1 4.33Å; L1836-I2056 HydrophobicContact CD2-CD1 3.98Å; L1836-I2056 HydrophobicContact CG-CD1 4.28Å |
| 1837 | L | 93.6 | Very high | 91.5 | Very high | 0.2 Ų | 0.2 | 65.9 Ų | 65.9 | 0% | 0.001 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 177.7 | -172.6 | 70 | 0 | 0 | 0 | 112.3 | Y1729 T1732 L1733 L1736 L1833 F1834 N1835 L1839 F1841 L2014 I2056 | Y1729-L1837 HydrophobicContact CD2-CD1 4.47Å; Y1729-L1837 HydrophobicContact CD2-CD2 4.2Å; Y1729-L1837 HydrophobicContact CD2-CG 3.89Å; Y1729-L1837 HydrophobicContact CE2-CD2 4.26Å; Y1729-L1837 HydrophobicContact CE2-CG 4Å; Y1729-L1837 WeakPolarHBondContact CE2-O 3.42Å; T1732-L1837 HydrophobicContact CG2-CD1 3.69Å; T1732-L1837 HydrophobicContact CG2-CD2 3.81Å; T1732-L1837 HydrophobicContact CG2-CG 4.42Å; L1733-L1837 HydrophobicContact CD2-CD2 3.79Å; L1733-L1837 HydrophobicContact CG-CD2 3.84Å; L1736-L1837 HydrophobicContact CD1-CD2 4.03Å; L1833-L1837 WeakPolarHBondContact O-CB 3.34Å; L1833-L1837 PolarHBondContact O-N 3.12Å; F1834-L1837 PolarHBondContact O-N 3.2Å; N1835-L1837 VanDerWaalsContact C-N 3.32Å; N1835-L1837 PolarHBondContact O-N 3.12Å; L1837-L1839 VanDerWaalsContact C-N 3.34Å; L1837-F1841 HydrophobicContact CD1-CD2 3.71Å; L1837-F1841 HydrophobicContact CD1-CE2 3.59Å; L1837-F1841 HydrophobicContact CG-CD2 4.34Å; L1837-F1841 WeakPolarHBondContact O-CD2 3.41Å; L1837-F1841 PolarHBondContact O-N 3.18Å; L1837-L2014 HydrophobicContact CD1-CD1 4.15Å; L1837-I2056 HydrophobicContact CD1-CG2 4.4Å |
| 1838 | G | 91.8 | Very high | 91.6 | Very high | 6.4 Ų | 6.4 | 65 Ų | 65 | 7% | 0.066 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1834 N1835 L1836 K1842 V1843 | F1834-G1838 PolarHBondContact O-N 3.11Å; N1835-G1838 PolarHBondContact O-N 3.06Å; N1835-G1838 VanDerWaalsContact O-N 3.15Å; L1836-G1838 VanDerWaalsContact C-N 3.29Å; L1836-G1838 PolarHBondContact O-N 3.11Å; G1838-K1842 PolarHBondContact O-N 3.07Å; G1838-K1842 VanDerWaalsContact O-N 3.14Å; G1838-V1843 PolarHBondContact O-N 2.97Å |
| 1839 | L | 92.6 | Very high | 91.5 | Very high | 97 Ų | 97 | 64.6 Ų | 64.6 | 51% | 0.508 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.8 | -44.8 | 179.7 | -65.5 | 169.5 | 0 | 0 | 0 | 112.7 | N1835 L1836 L1837 F1841 K1842 Y2021 | N1835-L1839 WeakPolarHBondContact O-CG 3.36Å; N1835-L1839 PolarHBondContact O-N 3.15Å; N1835-L1839 VanDerWaalsContact O-N 3.08Å; L1836-L1839 PolarHBondContact O-N 3.01Å; L1836-L1839 VanDerWaalsContact O-N 3.15Å; L1837-L1839 VanDerWaalsContact C-N 3.34Å; L1839-F1841 VanDerWaalsContact C-N 3.32Å; L1839-F1841 PolarHBondContact O-N 2.91Å; L1839-K1842 WeakPolarHBondContact O-CA 3.36Å; L1839-K1842 WeakPolarHBondContact O-CG 3.27Å; L1839-K1842 PolarHBondContact O-N 3.23Å; L1839-K1842 VanDerWaalsContact O-N 3.09Å; L1839-Y2021 HydrophobicContact CB-CE1 4.46Å; L1839-Y2021 HydrophobicContact CB-CE2 3.88Å; L1839-Y2021 WeakPolarHBondContact CB-OH 3.35Å |
| 1840 | V | 92.2 | Very high | 91.6 | Very high | 5 Ų | 5 | 66.3 Ų | 66.3 | 3% | 0.03 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.3 | -45.8 | 178.7 | 167.3 | 0 | 0 | 0 | 0 | 111.5 | L1836 K1842 N2017 I2018 Y2021 | L1836-V1840 HydrophobicContact CD1-CG2 3.87Å; L1836-V1840 HydrophobicContact CG-CG2 4.05Å; L1836-V1840 WeakPolarHBondContact O-CB 3.41Å; L1836-V1840 VanDerWaalsContact O-CG2 3.24Å; L1836-V1840 WeakPolarHBondContact O-CG2 3.39Å; L1836-V1840 PolarHBondContact O-N 3.17Å; V1840-K1842 VanDerWaalsContact C-N 3.3Å; V1840-K1842 PolarHBondContact O-N 3.22Å; V1840-N2017 HydrophobicContact CG1-CB 3.92Å; V1840-I2018 HydrophobicContact CG1-CG1 3.95Å; V1840-I2018 HydrophobicContact CG2-CG1 4.25Å; V1840-Y2021 HydrophobicContact CB-CG 4.27Å; V1840-Y2021 HydrophobicContact CG2-CD1 3.6Å; V1840-Y2021 HydrophobicContact CG2-CD2 4.44Å; V1840-Y2021 HydrophobicContact CG2-CE1 4.3Å; V1840-Y2021 HydrophobicContact CG2-CG 3.71Å |
| 1841 | F | 91.8 | Very high | 91.7 | Very high | 21.6 Ų | 21.6 | 63.8 Ų | 63.8 | 10% | 0.095 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 8 | 178.7 | -73.3 | -90.5 | 0 | 0 | 0 | 113.5 | K1725 V1728 Y1729 L1837 L1839 V1843 L2014 N2017 | K1725-F1841 HydrophobicContact CB-CD1 4.01Å; K1725-F1841 HydrophobicContact CB-CE1 4.08Å; K1725-F1841 HydrophobicContact CG-CD1 4.31Å; K1725-F1841 HydrophobicContact CG-CE1 4.19Å; K1725-F1841 WeakPolarHBondContact O-CE1 3.32Å; V1728-F1841 HydrophobicContact CB-CE1 4.45Å; V1728-F1841 HydrophobicContact CB-CZ 4.46Å; V1728-F1841 HydrophobicContact CG1-CE1 4.33Å; V1728-F1841 HydrophobicContact CG1-CZ 3.88Å; Y1729-F1841 HydrophobicContact CD2-CB 3.69Å; Y1729-F1841 AromaticContact CD2-CD2 3.88Å; Y1729-F1841 HydrophobicContact CD2-CD2 3.88Å; Y1729-F1841 AromaticContact CD2-CG 3.84Å; Y1729-F1841 HydrophobicContact CD2-CG 3.84Å; Y1729-F1841 HydrophobicContact CE2-CB 4.27Å; Y1729-F1841 HydrophobicContact CG-CB 4.26Å; Y1729-F1841 HydrophobicContact CG-CG 4.27Å; L1837-F1841 HydrophobicContact CD1-CD2 3.71Å; L1837-F1841 HydrophobicContact CD1-CE2 3.59Å; L1837-F1841 HydrophobicContact CG-CD2 4.34Å; L1837-F1841 WeakPolarHBondContact O-CD2 3.41Å; L1837-F1841 PolarHBondContact O-N 3.18Å; L1839-F1841 VanDerWaalsContact C-N 3.32Å; L1839-F1841 PolarHBondContact O-N 2.91Å; F1841-V1843 VanDerWaalsContact C-N 3.27Å; F1841-V1843 HydrophobicContact CB-CG2 3.84Å; F1841-V1843 WeakPolarHBondContact O-CG2 3.36Å; F1841-V1843 PolarHBondContact O-N 3.07Å; F1841-L2014 HydrophobicContact CE2-CD1 3.72Å; F1841-L2014 HydrophobicContact CZ-CD1 3.94Å; F1841-N2017 HydrophobicContact CE1-CB 4.48Å; F1841-N2017 HydrophobicContact CZ-CB 4.4Å |
| 1842 | K | 90.6 | Very high | 91.7 | Very high | 151.8 Ų | 151.8 | 62.7 Ų | 62.7 | 66% | 0.66 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 39.4 | 175.5 | -57 | 178.4 | -177.3 | 178.5 | 0 | 112.8 | G1838 L1839 V1840 E2024 | G1838-K1842 PolarHBondContact O-N 3.07Å; G1838-K1842 VanDerWaalsContact O-N 3.14Å; L1839-K1842 WeakPolarHBondContact O-CA 3.36Å; L1839-K1842 WeakPolarHBondContact O-CG 3.27Å; L1839-K1842 PolarHBondContact O-N 3.23Å; L1839-K1842 VanDerWaalsContact O-N 3.09Å; V1840-K1842 VanDerWaalsContact C-N 3.3Å; V1840-K1842 PolarHBondContact O-N 3.22Å; K1842-E2024 IonicContact NZ-OE2 2.66Å; K1842-E2024 PolarHBondContact NZ-OE2 3.29Å; K1842-E2024 VanDerWaalsContact NZ-OE2 3.13Å |
| 1843 | V | 90.1 | Very high | 91.6 | Very high | 34.6 Ų | 34.6 | 62.6 Ų | 62.6 | 21% | 0.21 | 31% | 0.311 | C | S | . | . | trans | -91.7 | 126.2 | -175.8 | -177.1 | 0 | 0 | 0 | 0 | 111.2 | Y1729 G1838 F1841 S1845 I1847 H1848 | Y1729-V1843 HydrophobicContact CD1-CG2 4.42Å; Y1729-V1843 HydrophobicContact CD2-CG2 4.08Å; Y1729-V1843 HydrophobicContact CE1-CG1 4.35Å; Y1729-V1843 HydrophobicContact CE1-CG2 4.22Å; Y1729-V1843 HydrophobicContact CE2-CB 4.35Å; Y1729-V1843 HydrophobicContact CE2-CG2 3.84Å; Y1729-V1843 HydrophobicContact CG-CG2 4.36Å; G1838-V1843 PolarHBondContact O-N 2.97Å; F1841-V1843 VanDerWaalsContact C-N 3.27Å; F1841-V1843 HydrophobicContact CB-CG2 3.84Å; F1841-V1843 WeakPolarHBondContact O-CG2 3.36Å; F1841-V1843 PolarHBondContact O-N 3.07Å; V1843-S1845 PolarHBondContact O-N 2.96Å; V1843-I1847 HydrophobicContact CG1-CB 3.89Å; V1843-I1847 HydrophobicContact CG1-CG2 3.7Å; V1843-H1848 HydrophobicContact CG1-CB 4.3Å | ||
| 1844 | D | 90.3 | Very high | 91.5 | Very high | 111.6 Ų | 111.6 | 67.8 Ų | 67.8 | 60% | 0.597 | 34% | 0.335 | S | S | * | . | trans | -53.5 | 138.7 | 174.2 | -93.6 | -55.6 | 0 | 0 | 0 | 112.5 | K1846 I1847 H1848 | D1844-K1846 VanDerWaalsContact C-N 3.28Å; D1844-K1846 PolarHBondContact O-N 3.23Å; D1844-K1846 VanDerWaalsContact O-N 3.13Å; D1844-K1846 PolarHBondContact OD1-N 3.29Å; D1844-I1847 HydrophobicContact CB-CB 4.28Å; D1844-I1847 HydrophobicContact CB-CD1 4.07Å; D1844-I1847 HydrophobicContact CB-CG1 4.09Å; D1844-I1847 CarbonylContact O-C 3.56Å; D1844-I1847 WeakPolarHBondContact O-CA 3.38Å; D1844-I1847 WeakPolarHBondContact O-CB 3.4Å; D1844-I1847 PolarHBondContact O-N 3.17Å; D1844-H1848 PolarHBondContact O-N 3.16Å | ||
| 1845 | S | 89 | Confident | 91.4 | Very high | 96.4 Ų | 96.4 | 67.8 Ų | 67.8 | 67% | 0.674 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -50.2 | -42.1 | -179.5 | 170.3 | 0 | 0 | 0 | 0 | 113.8 | V1843 I1847 H1848 E1849 | V1843-S1845 PolarHBondContact O-N 2.96Å; S1845-I1847 VanDerWaalsContact C-N 3.3Å; S1845-I1847 PolarHBondContact O-N 3.05Å; S1845-H1848 WeakPolarHBondContact O-CB 3.37Å; S1845-H1848 PolarHBondContact O-N 3.3Å; S1845-E1849 PolarHBondContact O-N 3.2Å |
| 1846 | K | 90.9 | Very high | 91.3 | Very high | 164.8 Ų | 164.8 | 64.7 Ų | 64.7 | 72% | 0.717 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -68.8 | -26.2 | 177.2 | -64.8 | -179.1 | -179.6 | 176.9 | 0 | 113.7 | D1844 R1850 | D1844-K1846 VanDerWaalsContact C-N 3.28Å; D1844-K1846 PolarHBondContact O-N 3.23Å; D1844-K1846 VanDerWaalsContact O-N 3.13Å; D1844-K1846 PolarHBondContact OD1-N 3.29Å; K1846-R1850 WeakPolarHBondContact O-CB 3.48Å; K1846-R1850 PolarHBondContact O-N 3.04Å; K1846-R1850 PolarHBondContact O-NH1 3Å |
| 1847 | I | 90.9 | Very high | 91.1 | Very high | 74 Ų | 74 | 68.4 Ų | 68.4 | 38% | 0.379 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -83.4 | -38.1 | 175.8 | -61.6 | 179.1 | 0 | 0 | 0 | 109.2 | V1843 D1844 S1845 R1850 N1851 | V1843-I1847 HydrophobicContact CG1-CB 3.89Å; V1843-I1847 HydrophobicContact CG1-CG2 3.7Å; D1844-I1847 HydrophobicContact CB-CB 4.28Å; D1844-I1847 HydrophobicContact CB-CD1 4.07Å; D1844-I1847 HydrophobicContact CB-CG1 4.09Å; D1844-I1847 CarbonylContact O-C 3.56Å; D1844-I1847 WeakPolarHBondContact O-CA 3.38Å; D1844-I1847 WeakPolarHBondContact O-CB 3.4Å; D1844-I1847 PolarHBondContact O-N 3.17Å; S1845-I1847 VanDerWaalsContact C-N 3.3Å; S1845-I1847 PolarHBondContact O-N 3.05Å; I1847-R1850 PolarHBondContact O-N 2.98Å; I1847-N1851 VanDerWaalsContact CG2-ND2 3.34Å; I1847-N1851 WeakPolarHBondContact CG2-ND2 3.33Å; I1847-N1851 VanDerWaalsContact O-CB 3.24Å; I1847-N1851 WeakPolarHBondContact O-CB 3.31Å; I1847-N1851 VanDerWaalsContact O-CG 3.25Å; I1847-N1851 PolarHBondContact O-N 2.94Å; I1847-N1851 PolarHBondContact O-ND2 3.31Å; I1847-N1851 VanDerWaalsContact O-ND2 3.1Å |
| 1848 | H | 92 | Very high | 90.8 | Very high | 24.6 Ų | 24.6 | 70.8 Ų | 70.8 | 11% | 0.114 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.1 | -53.3 | 172.5 | 179.5 | 89.9 | 0 | 0 | 0 | 111.5 | Y1729 F1834 V1843 D1844 S1845 R1850 N1851 L1852 | Y1729-H1848 AromaticContact CZ-ND1 3.97Å; Y1729-H1848 WeakPolarHBondContact OH-CA 3.26Å; Y1729-H1848 WeakPolarHBondContact OH-CB 3.35Å; Y1729-H1848 PolarHBondContact OH-ND1 2.91Å; F1834-H1848 PolarHBondContact O-CE1 3.06Å; V1843-H1848 HydrophobicContact CG1-CB 4.3Å; D1844-H1848 PolarHBondContact O-N 3.16Å; S1845-H1848 WeakPolarHBondContact O-CB 3.37Å; S1845-H1848 PolarHBondContact O-N 3.3Å; H1848-R1850 VanDerWaalsContact C-N 3.33Å; H1848-R1850 PolarHBondContact O-N 3.07Å; H1848-N1851 PolarHBondContact O-N 3.09Å; H1848-N1851 VanDerWaalsContact O-N 3.14Å; H1848-L1852 VanDerWaalsContact O-CB 3.31Å; H1848-L1852 WeakPolarHBondContact O-CB 3.36Å; H1848-L1852 PolarHBondContact O-N 3.22Å |
| 1849 | E | 90.3 | Very high | 90.6 | Very high | 121.8 Ų | 121.8 | 71 Ų | 71 | 57% | 0.569 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -55.9 | -46.3 | 177.9 | -175.6 | -176.6 | -165.6 | 0 | 0 | 112.1 | S1845 N1851 L1852 L1853 | S1845-E1849 PolarHBondContact O-N 3.2Å; E1849-N1851 PolarHBondContact O-N 3.34Å; E1849-L1852 WeakPolarHBondContact O-CB 3.43Å; E1849-L1852 PolarHBondContact O-N 3.22Å; E1849-L1853 WeakPolarHBondContact O-CG 3.32Å; E1849-L1853 PolarHBondContact O-N 3.25Å; E1849-L1853 VanDerWaalsContact O-N 3.08Å |
| 1850 | R | 92.6 | Very high | 90.2 | Very high | 151.8 Ų | 151.8 | 67.5 Ų | 67.5 | 57% | 0.573 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.6 | -42 | 176.8 | -172.9 | -171.5 | -53.1 | 115.2 | 2.7 | 112.4 | K1846 I1847 H1848 L1852 L1853 Q1854 | K1846-R1850 WeakPolarHBondContact O-CB 3.48Å; K1846-R1850 PolarHBondContact O-N 3.04Å; K1846-R1850 PolarHBondContact O-NH1 3Å; I1847-R1850 PolarHBondContact O-N 2.98Å; H1848-R1850 VanDerWaalsContact C-N 3.33Å; H1848-R1850 PolarHBondContact O-N 3.07Å; R1850-L1852 VanDerWaalsContact C-N 3.34Å; R1850-L1853 PolarHBondContact O-N 3.43Å; R1850-Q1854 WeakPolarHBondContact O-CB 3.42Å; R1850-Q1854 WeakPolarHBondContact O-CG 3.13Å; R1850-Q1854 PolarHBondContact O-N 2.97Å |
| 1851 | N | 92.1 | Very high | 89.7 | Confident | 15.8 Ų | 15.8 | 69.1 Ų | 69.1 | 8% | 0.084 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.1 | -32.3 | 178.7 | -72.3 | -34.1 | 0 | 0 | 0 | 111.9 | Y1729 K1730 L1733 I1847 H1848 E1849 Q1854 A1855 | Y1729-N1851 HydrophobicContact CE1-CB 3.97Å; Y1729-N1851 WeakPolarHBondContact CE1-ND2 3.35Å; K1730-N1851 WeakPolarHBondContact CE-OD1 3.27Å; L1733-N1851 HydrophobicContact CD1-CB 3.84Å; I1847-N1851 VanDerWaalsContact CG2-ND2 3.34Å; I1847-N1851 WeakPolarHBondContact CG2-ND2 3.33Å; I1847-N1851 VanDerWaalsContact O-CB 3.24Å; I1847-N1851 WeakPolarHBondContact O-CB 3.31Å; I1847-N1851 VanDerWaalsContact O-CG 3.25Å; I1847-N1851 PolarHBondContact O-N 2.94Å; I1847-N1851 PolarHBondContact O-ND2 3.31Å; I1847-N1851 VanDerWaalsContact O-ND2 3.1Å; H1848-N1851 PolarHBondContact O-N 3.09Å; H1848-N1851 VanDerWaalsContact O-N 3.14Å; E1849-N1851 PolarHBondContact O-N 3.34Å; N1851-Q1854 PolarHBondContact O-N 3.12Å; N1851-A1855 WeakPolarHBondContact O-CB 3.33Å; N1851-A1855 PolarHBondContact O-N 3.13Å |
| 1852 | L | 90.8 | Very high | 88.9 | Confident | 25.6 Ų | 25.6 | 69.5 Ų | 69.5 | 13% | 0.134 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 173.3 | -168.3 | 89.7 | 0 | 0 | 0 | 110.8 | L1733 L1737 I1827 F1834 H1848 E1849 R1850 Q1854 A1855 E1856 | L1733-L1852 HydrophobicContact CD2-CD1 3.98Å; L1737-L1852 HydrophobicContact CD1-CD1 4.24Å; L1737-L1852 HydrophobicContact CD2-CD1 3.96Å; L1737-L1852 HydrophobicContact CD2-CG 4.33Å; L1737-L1852 HydrophobicContact CG-CD1 4.2Å; I1827-L1852 HydrophobicContact CD1-CD1 4.29Å; I1827-L1852 HydrophobicContact CD1-CD2 3.85Å; I1827-L1852 HydrophobicContact CD1-CG 4.35Å; I1827-L1852 HydrophobicContact CG1-CD1 4.41Å; I1827-L1852 HydrophobicContact CG1-CD2 4.38Å; F1834-L1852 HydrophobicContact CD1-CD1 3.85Å; F1834-L1852 HydrophobicContact CE1-CD1 4.19Å; F1834-L1852 HydrophobicContact CG-CD1 4.42Å; H1848-L1852 VanDerWaalsContact O-CB 3.31Å; H1848-L1852 WeakPolarHBondContact O-CB 3.36Å; H1848-L1852 PolarHBondContact O-N 3.22Å; E1849-L1852 WeakPolarHBondContact O-CB 3.43Å; E1849-L1852 PolarHBondContact O-N 3.22Å; R1850-L1852 VanDerWaalsContact C-N 3.34Å; L1852-Q1854 VanDerWaalsContact C-N 3.32Å; L1852-Q1854 PolarHBondContact O-N 3.06Å; L1852-A1855 WeakPolarHBondContact O-CB 3.18Å; L1852-A1855 PolarHBondContact O-N 3.1Å; L1852-E1856 WeakPolarHBondContact O-CB 3.42Å; L1852-E1856 PolarHBondContact O-N 3.34Å |
| 1853 | L | 91.4 | Very high | 88.1 | Confident | 98 Ų | 98 | 62.8 Ų | 62.8 | 51% | 0.513 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.5 | -38.1 | 173.7 | -68.7 | 170.5 | 0 | 0 | 0 | 112.5 | E1849 R1850 E1856 Q1857 | E1849-L1853 WeakPolarHBondContact O-CG 3.32Å; E1849-L1853 PolarHBondContact O-N 3.25Å; E1849-L1853 VanDerWaalsContact O-N 3.08Å; R1850-L1853 PolarHBondContact O-N 3.43Å; L1853-E1856 WeakPolarHBondContact O-CB 3.43Å; L1853-E1856 PolarHBondContact O-N 3.24Å; L1853-Q1857 PolarHBondContact O-N 3.05Å; L1853-Q1857 VanDerWaalsContact O-N 3.09Å |
| 1854 | Q | 90.2 | Very high | 87.1 | Confident | 111.6 Ų | 111.6 | 65.8 Ų | 65.8 | 52% | 0.521 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.8 | -39.5 | 175 | -157.2 | 177.2 | 9 | 0 | 0 | 112 | R1850 N1851 L1852 Q1857 S1858 | R1850-Q1854 WeakPolarHBondContact O-CB 3.42Å; R1850-Q1854 WeakPolarHBondContact O-CG 3.13Å; R1850-Q1854 PolarHBondContact O-N 2.97Å; N1851-Q1854 PolarHBondContact O-N 3.12Å; L1852-Q1854 VanDerWaalsContact C-N 3.32Å; L1852-Q1854 PolarHBondContact O-N 3.06Å; Q1854-Q1857 PolarHBondContact O-N 3.28Å; Q1854-S1858 VanDerWaalsContact O-CB 3.26Å; Q1854-S1858 WeakPolarHBondContact O-CB 3.39Å; Q1854-S1858 PolarHBondContact O-N 3.18Å |
| 1855 | A | 90.5 | Very high | 86.3 | Confident | 5 Ų | 5 | 67.2 Ų | 67.2 | 4% | 0.041 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1733 Q1734 L1737 N1851 L1852 S1858 I1859 | L1733-A1855 HydrophobicContact CB-CB 4.08Å; Q1734-A1855 HydrophobicContact CG-CB 3.89Å; L1737-A1855 HydrophobicContact CD1-CB 3.58Å; L1737-A1855 HydrophobicContact CD2-CB 4.25Å; N1851-A1855 WeakPolarHBondContact O-CB 3.33Å; N1851-A1855 PolarHBondContact O-N 3.13Å; L1852-A1855 WeakPolarHBondContact O-CB 3.18Å; L1852-A1855 PolarHBondContact O-N 3.1Å; A1855-S1858 WeakPolarHBondContact O-CB 3.39Å; A1855-S1858 PolarHBondContact O-N 3.06Å; A1855-I1859 WeakPolarHBondContact O-CD1 3.37Å; A1855-I1859 VanDerWaalsContact O-CG1 3.3Å; A1855-I1859 WeakPolarHBondContact O-CG1 3.36Å; A1855-I1859 PolarHBondContact O-N 3.09Å; A1855-I1859 VanDerWaalsContact O-N 3.14Å |
| 1856 | E | 91.1 | Very high | 85.9 | Confident | 19.8 Ų | 19.8 | 64.9 Ų | 64.9 | 9% | 0.093 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.7 | -53.8 | 173.7 | -163.1 | -151.2 | 117.2 | 0 | 0 | 111.2 | L1737 K1820 M1823 L1852 L1853 S1858 I1859 L1860 | L1737-E1856 HydrophobicContact CD2-CB 3.92Å; L1737-E1856 HydrophobicContact CD2-CG 4.36Å; K1820-E1856 VanDerWaalsContact CD-OE1 3.31Å; K1820-E1856 WeakPolarHBondContact CD-OE1 3.36Å; K1820-E1856 WeakPolarHBondContact CE-OE1 3.22Å; K1820-E1856 VanDerWaalsContact CG-OE1 3.26Å; K1820-E1856 WeakPolarHBondContact CG-OE1 3.32Å; K1820-E1856 IonicContact NZ-OE1 2.78Å; K1820-E1856 PolarHBondContact NZ-OE1 2.92Å; K1820-E1856 IonicContact NZ-OE2 3.06Å; K1820-E1856 PolarHBondContact NZ-OE2 3.2Å; M1823-E1856 HydrophobicContact CE-CB 4.43Å; M1823-E1856 HydrophobicContact CE-CG 3.32Å; M1823-E1856 HydrophobicContact SD-CB 4.5Å; M1823-E1856 HydrophobicContact SD-CG 3.81Å; M1823-E1856 VanDerWaalsContact SD-CG 3.55Å; L1852-E1856 WeakPolarHBondContact O-CB 3.42Å; L1852-E1856 PolarHBondContact O-N 3.34Å; L1853-E1856 WeakPolarHBondContact O-CB 3.43Å; L1853-E1856 PolarHBondContact O-N 3.24Å; E1856-S1858 VanDerWaalsContact C-N 3.29Å; E1856-S1858 PolarHBondContact O-N 3.08Å; E1856-I1859 PolarHBondContact O-N 3.16Å; E1856-I1859 VanDerWaalsContact O-N 3.1Å; E1856-L1860 HydrophobicContact CG-CD1 4.37Å; E1856-L1860 WeakPolarHBondContact O-CG 3.4Å; E1856-L1860 PolarHBondContact O-N 3.08Å; E1856-L1860 VanDerWaalsContact O-N 3.08Å; E1856-L1860 WeakPolarHBondContact OE1-CD1 3.34Å |
| 1857 | Q | 89.4 | Confident | 85.6 | Confident | 98.8 Ų | 98.8 | 58.5 Ų | 58.5 | 46% | 0.462 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.8 | -38.7 | 178.1 | -175.6 | 60.9 | 52.7 | 0 | 0 | 112.1 | L1853 Q1854 I1859 L1860 D1861 | L1853-Q1857 PolarHBondContact O-N 3.05Å; L1853-Q1857 VanDerWaalsContact O-N 3.09Å; Q1854-Q1857 PolarHBondContact O-N 3.28Å; Q1857-I1859 VanDerWaalsContact C-N 3.26Å; Q1857-I1859 PolarHBondContact O-N 2.9Å; Q1857-L1860 PolarHBondContact O-N 3.11Å; Q1857-D1861 PolarHBondContact NE2-OD1 3.21Å; Q1857-D1861 WeakPolarHBondContact O-CB 3.35Å; Q1857-D1861 VanDerWaalsContact O-CG 3.27Å; Q1857-D1861 PolarHBondContact O-N 3.2Å |
| 1858 | S | 86.7 | Confident | 85.4 | Confident | 51.6 Ų | 51.6 | 55.2 Ų | 55.2 | 36% | 0.361 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.3 | -25.8 | 177.8 | -173 | 0 | 0 | 0 | 0 | 113.4 | Q1734 Q1854 A1855 E1856 | Q1734-S1858 PolarHBondContact NE2-OG 3.33Å; Q1854-S1858 VanDerWaalsContact O-CB 3.26Å; Q1854-S1858 WeakPolarHBondContact O-CB 3.39Å; Q1854-S1858 PolarHBondContact O-N 3.18Å; A1855-S1858 WeakPolarHBondContact O-CB 3.39Å; A1855-S1858 PolarHBondContact O-N 3.06Å; E1856-S1858 VanDerWaalsContact C-N 3.29Å; E1856-S1858 PolarHBondContact O-N 3.08Å |
| 1859 | I | 86.5 | Confident | 85.4 | Confident | 8.8 Ų | 8.8 | 59.6 Ų | 59.6 | 5% | 0.045 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -83 | -38.9 | 174.8 | -64.6 | 158.2 | 0 | 0 | 0 | 110.3 | L1737 Y1738 I1819 M1823 A1855 E1856 Q1857 D1861 G1862 | L1737-I1859 HydrophobicContact CB-CD1 3.98Å; L1737-I1859 HydrophobicContact CD1-CD1 4.27Å; L1737-I1859 HydrophobicContact CD2-CD1 4.21Å; L1737-I1859 HydrophobicContact CG-CD1 4.36Å; Y1738-I1859 HydrophobicContact CD1-CG2 4.38Å; Y1738-I1859 HydrophobicContact CG-CG2 4.14Å; I1819-I1859 HydrophobicContact CG2-CG2 4.19Å; M1823-I1859 HydrophobicContact CE-CB 3.49Å; M1823-I1859 VanDerWaalsContact CE-CB 3.49Å; M1823-I1859 HydrophobicContact CE-CD1 3.85Å; M1823-I1859 HydrophobicContact CE-CG1 4.29Å; M1823-I1859 HydrophobicContact CE-CG2 3.82Å; M1823-I1859 HydrophobicContact SD-CB 3.97Å; M1823-I1859 HydrophobicContact SD-CD1 3.75Å; M1823-I1859 HydrophobicContact SD-CG1 4.4Å; M1823-I1859 HydrophobicContact SD-CG2 3.79Å; A1855-I1859 WeakPolarHBondContact O-CD1 3.37Å; A1855-I1859 VanDerWaalsContact O-CG1 3.3Å; A1855-I1859 WeakPolarHBondContact O-CG1 3.36Å; A1855-I1859 PolarHBondContact O-N 3.09Å; A1855-I1859 VanDerWaalsContact O-N 3.14Å; E1856-I1859 PolarHBondContact O-N 3.16Å; E1856-I1859 VanDerWaalsContact O-N 3.1Å; Q1857-I1859 VanDerWaalsContact C-N 3.26Å; Q1857-I1859 PolarHBondContact O-N 2.9Å; I1859-D1861 VanDerWaalsContact C-N 3.31Å; I1859-D1861 PolarHBondContact O-N 3.07Å; I1859-G1862 PolarHBondContact O-N 3.14Å; I1859-G1862 VanDerWaalsContact O-N 3.13Å |
| 1860 | L | 85.9 | Confident | 85.4 | Confident | 24 Ų | 24 | 53.9 Ų | 53.9 | 13% | 0.126 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.6 | -33.5 | 176.3 | -65.7 | 175.5 | 0 | 0 | 0 | 113.1 | M1816 I1819 K1820 M1823 E1856 Q1857 G1862 | M1816-L1860 HydrophobicContact CB-CD2 4.25Å; M1816-L1860 WeakPolarHBondContact O-CD2 3.39Å; I1819-L1860 HydrophobicContact CB-CD2 4.1Å; I1819-L1860 HydrophobicContact CG2-CD2 3.91Å; K1820-L1860 HydrophobicContact CB-CD1 4.39Å; K1820-L1860 HydrophobicContact CB-CD2 4.35Å; M1823-L1860 HydrophobicContact CE-CD1 4.38Å; M1823-L1860 HydrophobicContact CE-CD2 3.85Å; M1823-L1860 HydrophobicContact CE-CG 3.93Å; E1856-L1860 HydrophobicContact CG-CD1 4.37Å; E1856-L1860 WeakPolarHBondContact O-CG 3.4Å; E1856-L1860 PolarHBondContact O-N 3.08Å; E1856-L1860 VanDerWaalsContact O-N 3.08Å; E1856-L1860 WeakPolarHBondContact OE1-CD1 3.34Å; Q1857-L1860 PolarHBondContact O-N 3.11Å; L1860-G1862 PolarHBondContact O-N 3.15Å |
| 1861 | D | 81.6 | Confident | 85.5 | Confident | 39.2 Ų | 39.2 | 47.2 Ų | 47.2 | 21% | 0.21 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.8 | 171.9 | -77.5 | -15.4 | 0 | 0 | 0 | 112.5 | Q1857 I1859 T1863 S1864 K1865 | Q1857-D1861 PolarHBondContact NE2-OD1 3.21Å; Q1857-D1861 WeakPolarHBondContact O-CB 3.35Å; Q1857-D1861 VanDerWaalsContact O-CG 3.27Å; Q1857-D1861 PolarHBondContact O-N 3.2Å; I1859-D1861 VanDerWaalsContact C-N 3.31Å; I1859-D1861 PolarHBondContact O-N 3.07Å; D1861-T1863 PolarHBondContact O-N 3.04Å; D1861-S1864 WeakPolarHBondContact O-CB 3.35Å; D1861-S1864 PolarHBondContact O-N 2.98Å; D1861-S1864 VanDerWaalsContact O-N 3.12Å; D1861-S1864 PolarHBondContact O-OG 3.19Å; D1861-K1865 HydrophobicContact CB-CD 4.3Å; D1861-K1865 VanDerWaalsContact CG-CE 3.47Å; D1861-K1865 VanDerWaalsContact OD1-CE 3.3Å; D1861-K1865 WeakPolarHBondContact OD1-CE 3.37Å; D1861-K1865 IonicContact OD1-NZ 3.06Å; D1861-K1865 PolarHBondContact OD1-NZ 3.19Å; D1861-K1865 VanDerWaalsContact OD1-NZ 3.11Å; D1861-K1865 WeakPolarHBondContact OD2-CD 3.45Å; D1861-K1865 WeakPolarHBondContact OD2-CE 3.43Å; D1861-K1865 IonicContact OD2-NZ 3.14Å; D1861-K1865 PolarHBondContact OD2-NZ 3.17Å |
| 1862 | G | 75 | Confident | 85.6 | Confident | 29 Ų | 29 | 46.4 Ų | 46.4 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | -141.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1859 L1860 S1864 | I1859-G1862 PolarHBondContact O-N 3.14Å; I1859-G1862 VanDerWaalsContact O-N 3.13Å; L1860-G1862 PolarHBondContact O-N 3.15Å; G1862-S1864 VanDerWaalsContact C-N 3.28Å; G1862-S1864 PolarHBondContact O-N 3.38Å |
| 1863 | T | 72.1 | Confident | 85.8 | Confident | 12 Ų | 12 | 46.1 Ų | 46.1 | 7% | 0.074 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -3.8 | 176.6 | 62.5 | 0 | 0 | 0 | 0 | 113.7 | E1801 D1861 K1865 W1866 N1925 A1926 | E1801-T1863 WeakPolarHBondContact OE1-CB 3.49Å; E1801-T1863 VanDerWaalsContact OE1-CG2 3.3Å; E1801-T1863 WeakPolarHBondContact OE1-CG2 3.39Å; E1801-T1863 PolarHBondContact OE1-OG1 3.23Å; E1801-T1863 PolarHBondContact OE2-OG1 3.03Å; D1861-T1863 PolarHBondContact O-N 3.04Å; T1863-K1865 VanDerWaalsContact C-N 3.29Å; T1863-K1865 PolarHBondContact O-N 2.98Å; T1863-K1865 VanDerWaalsContact O-N 3.15Å; T1863-W1866 WeakPolarHBondContact O-CB 3.35Å; T1863-W1866 PolarHBondContact O-N 3.02Å; T1863-N1925 WeakPolarHBondContact CG2-OD1 3.37Å; T1863-A1926 HydrophobicContact CG2-CB 4.06Å |
| 1864 | S | 70.3 | Confident | 86 | Confident | 97.6 Ų | 97.6 | 41.4 Ų | 41.4 | 68% | 0.683 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -29.9 | -169 | 69.8 | 0 | 0 | 0 | 0 | 114.6 | D1861 G1862 | D1861-S1864 WeakPolarHBondContact O-CB 3.35Å; D1861-S1864 PolarHBondContact O-N 2.98Å; D1861-S1864 VanDerWaalsContact O-N 3.12Å; D1861-S1864 PolarHBondContact O-OG 3.19Å; G1862-S1864 VanDerWaalsContact C-N 3.28Å; G1862-S1864 PolarHBondContact O-N 3.38Å |
| 1865 | K | 73.4 | Confident | 86.2 | Confident | 140.4 Ų | 140.4 | 38.3 Ų | 38.3 | 61% | 0.61 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -4.8 | 175.5 | -60.7 | 176.6 | -169.7 | 167.4 | 0 | 112.7 | D1861 T1863 | D1861-K1865 HydrophobicContact CB-CD 4.3Å; D1861-K1865 VanDerWaalsContact CG-CE 3.47Å; D1861-K1865 VanDerWaalsContact OD1-CE 3.3Å; D1861-K1865 WeakPolarHBondContact OD1-CE 3.37Å; D1861-K1865 IonicContact OD1-NZ 3.06Å; D1861-K1865 PolarHBondContact OD1-NZ 3.19Å; D1861-K1865 VanDerWaalsContact OD1-NZ 3.11Å; D1861-K1865 WeakPolarHBondContact OD2-CD 3.45Å; D1861-K1865 WeakPolarHBondContact OD2-CE 3.43Å; D1861-K1865 IonicContact OD2-NZ 3.14Å; D1861-K1865 PolarHBondContact OD2-NZ 3.17Å; T1863-K1865 VanDerWaalsContact C-N 3.29Å; T1863-K1865 PolarHBondContact O-N 2.98Å; T1863-K1865 VanDerWaalsContact O-N 3.15Å |
| 1866 | W | 80.8 | Confident | 86.4 | Confident | 48.6 Ų | 48.6 | 39.2 Ų | 39.2 | 18% | 0.184 | 21% | 0.213 | C | C | . | . | trans | -84.6 | 131.7 | -172.8 | -171.5 | 95.7 | 0 | 0 | 0 | 111.2 | T1863 A1868 C1923 N1925 A1926 L1964 I1998 | T1863-W1866 WeakPolarHBondContact O-CB 3.35Å; T1863-W1866 PolarHBondContact O-N 3.02Å; W1866-A1868 HydrophobicContact CH2-CB 3.44Å; W1866-A1868 VanDerWaalsContact CH2-CB 3.43Å; W1866-A1868 HydrophobicContact CZ2-CB 3.62Å; W1866-A1868 HydrophobicContact CZ3-CB 4.11Å; W1866-C1923 HydrophobicContact CH2-CB 4.41Å; W1866-C1923 HydrophobicContact CZ3-CB 4.11Å; W1866-N1925 VanDerWaalsContact CZ3-C 3.46Å; W1866-A1926 HydrophobicContact CD2-CB 3.77Å; W1866-A1926 HydrophobicContact CE3-CB 4.13Å; W1866-A1926 VanDerWaalsContact CE3-N 3.3Å; W1866-A1926 HydrophobicContact CG-CB 4.14Å; W1866-A1926 HydrophobicContact CH2-CB 4.45Å; W1866-A1926 HydrophobicContact CZ2-CB 4.14Å; W1866-A1926 HydrophobicContact CZ3-CB 4.45Å; W1866-L1964 HydrophobicContact CH2-CB 4.42Å; W1866-L1964 HydrophobicContact CH2-CD2 3.99Å; W1866-L1964 HydrophobicContact CZ3-CD2 4.43Å; W1866-I1998 HydrophobicContact CZ2-CD1 4.47Å; W1866-I1998 HydrophobicContact CZ2-CG1 4.34Å | ||
| 1867 | S | 84.4 | Confident | 86.5 | Confident | 30 Ų | 30 | 38.3 Ų | 38.3 | 21% | 0.21 | 21% | 0.21 | C | C | . | . | trans | -152.6 | 143.7 | 169.9 | 55.8 | 0 | 0 | 0 | 0 | 109.3 | C1923 K1999 | S1867-C1923 CarbonylContact C-O 3.54Å; S1867-C1923 VanDerWaalsContact CA-O 3.29Å; S1867-C1923 WeakPolarHBondContact CA-O 3.4Å; S1867-K1999 WeakPolarHBondContact O-CB 3.41Å; S1867-K1999 PolarHBondContact O-N 3.05Å; S1867-K1999 WeakPolarHBondContact OG-CB 3.36Å; S1867-K1999 VanDerWaalsContact OG-CD 3.3Å; S1867-K1999 WeakPolarHBondContact OG-CD 3.41Å | ||
| 1868 | A | 87.3 | Confident | 86.4 | Confident | 5.6 Ų | 5.6 | 35.4 Ų | 35.4 | 5% | 0.046 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 146.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | W1866 I1870 C1923 V1996 E1997 I1998 | W1866-A1868 HydrophobicContact CH2-CB 3.44Å; W1866-A1868 VanDerWaalsContact CH2-CB 3.43Å; W1866-A1868 HydrophobicContact CZ2-CB 3.62Å; W1866-A1868 HydrophobicContact CZ3-CB 4.11Å; A1868-I1870 HydrophobicContact CB-CG1 4.46Å; A1868-C1923 PolarHBondContact N-O 3.24Å; A1868-C1923 PolarHBondContact O-N 3.1Å; A1868-V1996 HydrophobicContact CB-CG1 3.87Å; A1868-E1997 CarbonylContact C-O 3.53Å; A1868-E1997 VanDerWaalsContact CA-O 3.25Å; A1868-E1997 WeakPolarHBondContact CA-O 3.34Å; A1868-E1997 WeakPolarHBondContact CB-O 3.32Å; A1868-I1998 HydrophobicContact CB-CG1 4.12Å |
| 1869 | K | 90.4 | Very high | 86.3 | Confident | 117.4 Ų | 117.4 | 33.1 Ų | 33.1 | 51% | 0.51 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 133.5 | 162.4 | -66.7 | 176.8 | 178.1 | 175.3 | 0 | 108.3 | E1922 V1996 E1997 | K1869-E1922 WeakPolarHBondContact CE-OE1 3.31Å; K1869-E1922 HydrophobicContact CG-CG 4.43Å; K1869-V1996 WeakPolarHBondContact O-CA 3.38Å; K1869-E1997 HydrophobicContact CB-CB 4.33Å; K1869-E1997 WeakPolarHBondContact CD-OE2 3.37Å; K1869-E1997 PolarHBondContact N-O 3.02Å; K1869-E1997 IonicContact NZ-OE2 2.78Å; K1869-E1997 PolarHBondContact O-N 3.25Å |
| 1870 | I | 91.5 | Very high | 86.5 | Confident | 1.4 Ų | 1.4 | 32.7 Ų | 32.7 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 117.8 | -173.1 | -50.3 | 172.6 | 0 | 0 | 0 | 107.7 | A1868 I1872 V1897 Y1920 F1921 C1923 I1930 L1964 I1994 S1995 V1996 | A1868-I1870 HydrophobicContact CB-CG1 4.46Å; I1870-I1872 HydrophobicContact CG2-CD1 4.07Å; I1870-I1872 HydrophobicContact CG2-CG1 3.64Å; I1870-V1897 HydrophobicContact CD1-CG1 4.36Å; I1870-Y1920 CarbonylContact O-C 3.54Å; I1870-Y1920 WeakPolarHBondContact O-CA 3.29Å; I1870-F1921 HydrophobicContact CB-CB 4.4Å; I1870-F1921 PolarHBondContact N-O 3.16Å; I1870-F1921 PolarHBondContact O-N 3.35Å; I1870-C1923 HydrophobicContact CD1-CB 3.94Å; I1870-I1930 HydrophobicContact CG2-CD1 4.26Å; I1870-L1964 HydrophobicContact CD1-CD1 4.14Å; I1870-L1964 HydrophobicContact CD1-CD2 3.48Å; I1870-L1964 VanDerWaalsContact CD1-CD2 3.49Å; I1870-L1964 HydrophobicContact CD1-CG 4.09Å; I1870-L1964 HydrophobicContact CG1-CD2 4.1Å; I1870-I1994 HydrophobicContact CG2-CG2 3.99Å; I1870-S1995 CarbonylContact C-O 3.56Å; I1870-S1995 WeakPolarHBondContact CA-O 3.36Å; I1870-V1996 HydrophobicContact CG1-CG1 4.4Å; I1870-V1996 HydrophobicContact CG2-CG2 4.23Å |
| 1871 | A | 93.4 | Very high | 86.6 | Confident | 10.2 Ų | 10.2 | 33.8 Ų | 33.8 | 8% | 0.084 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 103.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | F1919 Y1920 I1994 S1995 | A1871-F1919 CarbonylContact C-O 3.5Å; A1871-F1919 WeakPolarHBondContact CA-O 3.3Å; A1871-Y1920 HydrophobicContact CB-CD1 3.84Å; A1871-Y1920 HydrophobicContact CB-CE1 3.8Å; A1871-I1994 WeakPolarHBondContact O-CA 3.4Å; A1871-S1995 PolarHBondContact N-O 3.21Å; A1871-S1995 PolarHBondContact O-N 3.14Å |
| 1872 | I | 94.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 113.7 | -177.2 | -53.1 | 175.8 | 0 | 0 | 0 | 108.3 | I1870 I1874 V1895 V1897 K1918 F1919 F1921 I1930 I1932 I1994 | I1870-I1872 HydrophobicContact CG2-CD1 4.07Å; I1870-I1872 HydrophobicContact CG2-CG1 3.64Å; I1872-I1874 HydrophobicContact CG2-CD1 3.83Å; I1872-I1874 HydrophobicContact CG2-CG1 4.43Å; I1872-V1895 HydrophobicContact CD1-CG1 3.64Å; I1872-V1895 HydrophobicContact CG2-CG1 4.36Å; I1872-V1897 HydrophobicContact CD1-CG2 3.96Å; I1872-K1918 CarbonylContact O-C 3.43Å; I1872-K1918 WeakPolarHBondContact O-CA 3.4Å; I1872-F1919 PolarHBondContact N-O 3.13Å; I1872-F1919 PolarHBondContact O-N 3.11Å; I1872-F1921 HydrophobicContact CD1-CD2 3.74Å; I1872-F1921 HydrophobicContact CD1-CE2 3.74Å; I1872-F1921 HydrophobicContact CG1-CD2 4.21Å; I1872-F1921 HydrophobicContact CG1-CE2 4.37Å; I1872-I1930 HydrophobicContact CD1-CD1 3.85Å; I1872-I1930 HydrophobicContact CD1-CG1 4.45Å; I1872-I1930 HydrophobicContact CD1-CG2 3.61Å; I1872-I1930 HydrophobicContact CG1-CD1 4.46Å; I1872-I1932 HydrophobicContact CG2-CD1 4.4Å; I1872-I1994 HydrophobicContact CG1-CG2 4.36Å; I1872-I1994 HydrophobicContact CG2-CG1 4.41Å |
| 1873 | T | 95.8 | Very high | 87.3 | Confident | 18.6 Ų | 18.6 | 35 Ų | 35 | 11% | 0.114 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 114 | 173.3 | -44.9 | 0 | 0 | 0 | 0 | 109.2 | K1875 E1917 K1918 F1993 | T1873-K1875 PolarHBondContact O-N 3.11Å; T1873-E1917 CarbonylContact C-O 3.53Å; T1873-E1917 VanDerWaalsContact CA-O 3.31Å; T1873-E1917 WeakPolarHBondContact CA-O 3.38Å; T1873-K1918 HydrophobicContact CG2-CB 4.24Å; T1873-K1918 WeakPolarHBondContact OG1-CG 3.3Å; T1873-F1993 WeakPolarHBondContact CB-O 3.38Å; T1873-F1993 PolarHBondContact N-O 2.92Å; T1873-F1993 PolarHBondContact O-N 3.05Å; T1873-F1993 PolarHBondContact OG1-O 3.4Å |
| 1874 | I | 95.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 105.5 | 174.3 | -50.4 | -94.4 | 0 | 0 | 0 | 107.1 | I1872 V1893 V1895 T1904 W1915 N1916 E1917 F1919 I1932 I1990 L1992 | I1872-I1874 HydrophobicContact CG2-CD1 3.83Å; I1872-I1874 HydrophobicContact CG2-CG1 4.43Å; I1874-V1893 HydrophobicContact CD1-CB 3.79Å; I1874-V1893 HydrophobicContact CD1-CG1 4.07Å; I1874-V1893 HydrophobicContact CD1-CG2 4.49Å; I1874-V1893 HydrophobicContact CG1-CG1 4.47Å; I1874-V1893 HydrophobicContact CG2-CB 4.35Å; I1874-V1893 HydrophobicContact CG2-CG1 4.43Å; I1874-V1893 HydrophobicContact CG2-CG2 4.08Å; I1874-V1895 HydrophobicContact CD1-CG2 3.54Å; I1874-V1895 HydrophobicContact CG1-CG2 4.06Å; I1874-T1904 HydrophobicContact CB-CG2 4.24Å; I1874-T1904 HydrophobicContact CD1-CG2 3.56Å; I1874-T1904 VanDerWaalsContact CD1-CG2 3.48Å; I1874-T1904 HydrophobicContact CG1-CG2 4.13Å; I1874-T1904 HydrophobicContact CG2-CG2 4.31Å; I1874-W1915 HydrophobicContact CG2-CB 4.41Å; I1874-W1915 HydrophobicContact CG2-CD2 4.17Å; I1874-W1915 HydrophobicContact CG2-CE3 3.56Å; I1874-W1915 HydrophobicContact CG2-CG 4.47Å; I1874-W1915 HydrophobicContact CG2-CZ3 4.09Å; I1874-N1916 CarbonylContact O-C 3.58Å; I1874-N1916 WeakPolarHBondContact O-CA 3.41Å; I1874-N1916 PolarHBondContact O-N 3.08Å; I1874-E1917 PolarHBondContact N-O 3.09Å; I1874-E1917 PolarHBondContact O-N 3.09Å; I1874-E1917 VanDerWaalsContact O-N 3.12Å; I1874-F1919 HydrophobicContact CD1-CD2 4.16Å; I1874-F1919 HydrophobicContact CD1-CE2 3.75Å; I1874-F1919 HydrophobicContact CG1-CD2 4.16Å; I1874-F1919 HydrophobicContact CG1-CE2 3.95Å; I1874-I1932 HydrophobicContact CD1-CD1 4.43Å; I1874-I1990 HydrophobicContact CG2-CD1 4.13Å; I1874-I1990 HydrophobicContact CG2-CG1 4.39Å; I1874-L1992 HydrophobicContact CB-CD2 4.32Å; I1874-L1992 HydrophobicContact CD1-CD2 3.42Å; I1874-L1992 VanDerWaalsContact CD1-CD2 3.42Å; I1874-L1992 HydrophobicContact CG1-CD2 4.09Å; I1874-L1992 HydrophobicContact CG2-CD2 4.1Å |
| 1875 | K | 94.1 | Very high | 88.4 | Confident | 46.2 Ų | 46.2 | 42 Ų | 42 | 20% | 0.201 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | -69.8 | -178.1 | -75 | -178.6 | 169.6 | 173.5 | 0 | 110.3 | T1873 W1915 N1916 D1972 R1991 F1993 | T1873-K1875 PolarHBondContact O-N 3.11Å; K1875-W1915 PolarHBondContact O-N 3.04Å; K1875-N1916 PolarHBondContact O-N 3.2Å; K1875-N1916 VanDerWaalsContact O-N 3.09Å; K1875-D1972 VanDerWaalsContact NZ-CG 3.27Å; K1875-D1972 IonicContact NZ-OD1 3.24Å; K1875-D1972 PolarHBondContact NZ-OD1 3.32Å; K1875-D1972 IonicContact NZ-OD2 3.2Å; K1875-D1972 PolarHBondContact NZ-OD2 3.25Å; K1875-R1991 HydrophobicContact CB-CB 4.31Å; K1875-R1991 HydrophobicContact CB-CG 4.34Å; K1875-R1991 HydrophobicContact CD-CG 4.18Å; K1875-R1991 PolarHBondContact N-O 3.14Å; K1875-R1991 VanDerWaalsContact N-O 3.11Å; K1875-F1993 HydrophobicContact CD-CB 4.21Å; K1875-F1993 HydrophobicContact CG-CB 4.45Å |
| 1876 | C | 94 | Very high | 88.8 | Confident | 23.6 Ų | 23.6 | 39.3 Ų | 39.3 | 16% | 0.159 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 167.6 | -176.2 | 55.7 | 0 | 0 | 0 | 0 | 111.5 | P1913 V1914 I1990 R1991 | C1876-P1913 CarbonylContact C-O 3.54Å; C1876-P1913 WeakPolarHBondContact CA-O 3.38Å; C1876-P1913 VanDerWaalsContact CB-O 3.22Å; C1876-P1913 WeakPolarHBondContact CB-O 3.36Å; C1876-V1914 HydrophobicContact CB-CB 4.41Å; C1876-V1914 HydrophobicContact CB-CG2 3.99Å; C1876-I1990 WeakPolarHBondContact O-CG1 3.26Å; C1876-R1991 PolarHBondContact O-N 2.95Å |
| 1877 | A | 92.6 | Very high | 88.9 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 2% | 0.017 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 164 | 160 | 0 | 0 | 0 | 0 | 0 | 109.7 | L1880 N1912 P1913 W1915 A1989 I1990 | A1877-L1880 HydrophobicContact CB-CD1 4.15Å; A1877-L1880 HydrophobicContact CB-CD2 4.03Å; A1877-L1880 HydrophobicContact CB-CG 4.13Å; A1877-N1912 CarbonylContact O-C 3.54Å; A1877-N1912 WeakPolarHBondContact O-CA 3.39Å; A1877-P1913 HydrophobicContact CB-CG 4.04Å; A1877-P1913 PolarHBondContact N-O 3.06Å; A1877-W1915 HydrophobicContact CB-CH2 3.89Å; A1877-W1915 HydrophobicContact CB-CZ3 3.74Å; A1877-A1989 CarbonylContact C-O 3.54Å; A1877-A1989 VanDerWaalsContact CA-O 3.25Å; A1877-A1989 WeakPolarHBondContact CA-O 3.36Å; A1877-A1989 WeakPolarHBondContact CB-O 3.34Å; A1877-I1990 HydrophobicContact CB-CB 4.37Å; A1877-I1990 HydrophobicContact CB-CG1 4.32Å |
| 1878 | Q | 88.2 | Confident | 89 | Confident | 36.2 Ų | 36.2 | 39.4 Ų | 39.4 | 17% | 0.169 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 140.1 | 179.8 | -167.8 | 177.3 | -1 | 0 | 0 | 109.9 | L1880 N1912 W1974 G1988 A1989 Q2112 E2116 | Q1878-L1880 PolarHBondContact O-N 3.14Å; Q1878-N1912 VanDerWaalsContact CA-OD1 3.3Å; Q1878-N1912 WeakPolarHBondContact CA-OD1 3.4Å; Q1878-N1912 VanDerWaalsContact CG-OD1 3.31Å; Q1878-N1912 WeakPolarHBondContact CG-OD1 3.33Å; Q1878-W1974 HydrophobicContact CB-CH2 4.12Å; Q1878-W1974 HydrophobicContact CB-CZ3 4.04Å; Q1878-G1988 CarbonylContact O-C 3.58Å; Q1878-G1988 WeakPolarHBondContact O-CA 3.42Å; Q1878-A1989 PolarHBondContact N-O 3.17Å; Q1878-A1989 PolarHBondContact O-N 3.36Å; Q1878-Q2112 PolarHBondContact O-NE2 3.09Å; Q1878-E2116 VanDerWaalsContact NE2-CD 3.3Å; Q1878-E2116 VanDerWaalsContact NE2-CG 3.33Å; Q1878-E2116 PolarHBondContact NE2-OE1 3.08Å |
| 1879 | G | 85.7 | Confident | 89 | Confident | 4.4 Ų | 4.4 | 39.2 Ų | 39.2 | 5% | 0.045 | 22% | 0.215 | C | C | . | . | S | Bend | trans | 68.9 | 30.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1911 N1912 S1987 G1988 S2111 | G1879-L1911 PolarHBondContact N-O 3.13Å; G1879-N1912 PolarHBondContact N-OD1 3.06Å; G1879-S1987 CarbonylContact O-C 3.53Å; G1879-S1987 VanDerWaalsContact O-C 3.28Å; G1879-S1987 VanDerWaalsContact O-CB 3.28Å; G1879-S1987 WeakPolarHBondContact O-CB 3.33Å; G1879-S1987 PolarHBondContact O-OG 3.13Å; G1879-G1988 VanDerWaalsContact O-CA 3.24Å; G1879-G1988 WeakPolarHBondContact O-CA 3.36Å; G1879-G1988 PolarHBondContact O-N 2.98Å; G1879-G1988 VanDerWaalsContact O-N 3.14Å; G1879-S2111 PolarHBondContact O-OG 2.97Å |
| 1880 | L | 90.5 | Very high | 89.1 | Confident | 0.8 Ų | 0.8 | 35.4 Ų | 35.4 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -59.3 | 155.8 | 173.5 | -61.2 | 179.8 | 0 | 0 | 0 | 110.8 | A1877 Q1878 P1891 L1911 P1913 V1934 L1957 L1977 | A1877-L1880 HydrophobicContact CB-CD1 4.15Å; A1877-L1880 HydrophobicContact CB-CD2 4.03Å; A1877-L1880 HydrophobicContact CB-CG 4.13Å; Q1878-L1880 PolarHBondContact O-N 3.14Å; L1880-P1891 HydrophobicContact CD1-CB 3.66Å; L1880-P1891 HydrophobicContact CD1-CG 3.91Å; L1880-L1911 HydrophobicContact CB-CB 4.4Å; L1880-L1911 HydrophobicContact CB-CD2 4.34Å; L1880-L1911 VanDerWaalsContact CB-O 3.32Å; L1880-L1911 WeakPolarHBondContact CB-O 3.37Å; L1880-L1911 WeakPolarHBondContact CG-O 3.39Å; L1880-L1911 PolarHBondContact N-O 3.12Å; L1880-P1913 HydrophobicContact CD1-CG 3.71Å; L1880-V1934 HydrophobicContact CD1-CG1 4.21Å; L1880-V1934 HydrophobicContact CD2-CG1 4.34Å; L1880-L1957 HydrophobicContact CD1-CD1 4.42Å; L1880-L1977 HydrophobicContact CD2-CD1 3.38Å |
| 1881 | I | 87.2 | Confident | 89.2 | Confident | 47.6 Ų | 47.6 | 35.4 Ų | 35.4 | 24% | 0.244 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -83.9 | 130.8 | 174.9 | -173.1 | 170.7 | 0 | 0 | 0 | 110.1 | K1883 S1889 L1957 A1985 | I1881-K1883 HydrophobicContact CG2-CD 4.42Å; I1881-K1883 HydrophobicContact CG2-CG 4.4Å; I1881-K1883 PolarHBondContact O-N 3.36Å; I1881-S1889 PolarHBondContact O-OG 3.35Å; I1881-L1957 HydrophobicContact CG2-CD2 3.98Å; I1881-L1957 VanDerWaalsContact O-CD2 3.23Å; I1881-L1957 WeakPolarHBondContact O-CD2 3.37Å; I1881-A1985 HydrophobicContact CD1-CB 3.71Å |
| 1882 | G | 86.8 | Confident | 89.3 | Confident | 27.6 Ų | 27.6 | 35.6 Ų | 35.6 | 29% | 0.285 | 20% | 0.199 | S | C | . | . | P | Polyproline II helix | trans | -70.6 | 129.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1887 T1888 | G1882-G1887 WeakPolarHBondContact CA-O 3.47Å; G1882-T1888 CarbonylContact C-O 3.56Å; G1882-T1888 VanDerWaalsContact CA-O 3.27Å; G1882-T1888 WeakPolarHBondContact CA-O 3.37Å |
| 1883 | K | 85 | Confident | 89.4 | Confident | 65.6 Ų | 65.6 | 35.6 Ų | 35.6 | 29% | 0.285 | 20% | 0.199 | S | C | . | . | trans | -120 | -23.8 | 179.3 | -68.9 | -105.2 | 179.2 | 175.1 | 0 | 113.6 | I1881 T1888 S1889 D1936 D1955 F1956 L1957 | I1881-K1883 HydrophobicContact CG2-CD 4.42Å; I1881-K1883 HydrophobicContact CG2-CG 4.4Å; I1881-K1883 PolarHBondContact O-N 3.36Å; K1883-T1888 PolarHBondContact N-O 3.23Å; K1883-S1889 WeakPolarHBondContact CB-OG 3.42Å; K1883-S1889 PolarHBondContact N-OG 3.42Å; K1883-S1889 VanDerWaalsContact N-OG 3.13Å; K1883-D1936 WeakPolarHBondContact CB-OD2 3.42Å; K1883-D1955 HydrophobicContact CB-CB 4.31Å; K1883-D1955 HydrophobicContact CD-CB 3.85Å; K1883-D1955 WeakPolarHBondContact CD-OD2 3.35Å; K1883-D1955 WeakPolarHBondContact CE-OD2 3.4Å; K1883-D1955 HydrophobicContact CG-CB 4.33Å; K1883-D1955 PolarHBondContact NZ-O 2.9Å; K1883-D1955 IonicContact NZ-OD2 3.09Å; K1883-D1955 PolarHBondContact NZ-OD2 2.96Å; K1883-F1956 WeakPolarHBondContact CE-O 3.46Å; K1883-F1956 PolarHBondContact NZ-O 3.09Å; K1883-L1957 HydrophobicContact CB-CD2 4.31Å; K1883-L1957 HydrophobicContact CD-CD2 3.68Å; K1883-L1957 HydrophobicContact CG-CD2 3.67Å; K1883-L1957 VanDerWaalsContact CG-CD2 3.44Å | ||
| 1884 | D | 83.2 | Confident | 89.3 | Confident | 49.6 Ų | 49.6 | 35 Ų | 35 | 27% | 0.265 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -64.1 | 160.1 | 174.7 | -95.6 | -41 | 0 | 0 | 0 | 111.7 | T1886 G1887 T1888 S1889 | D1884-T1886 WeakPolarHBondContact CB-OG1 3.36Å; D1884-T1886 PolarHBondContact O-N 3.21Å; D1884-T1886 VanDerWaalsContact O-N 3.12Å; D1884-G1887 PolarHBondContact O-N 3.03Å; D1884-G1887 VanDerWaalsContact O-N 3.08Å; D1884-T1888 VanDerWaalsContact CB-O 3.3Å; D1884-T1888 WeakPolarHBondContact CB-O 3.36Å; D1884-T1888 PolarHBondContact N-O 3.28Å; D1884-T1888 PolarHBondContact OD2-OG1 3.06Å; D1884-S1889 VanDerWaalsContact OD2-CA 3.24Å; D1884-S1889 WeakPolarHBondContact OD2-CA 3.3Å; D1884-S1889 PolarHBondContact OD2-N 3.43Å |
| 1885 | K | 81.4 | Confident | 89.3 | Confident | 205.8 Ų | 205.8 | 35 Ų | 35 | 90% | 0.895 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -14.1 | 172.3 | -62.9 | 175.5 | -174.4 | 168.3 | 0 | 113.4 | G1887 | K1885-G1887 VanDerWaalsContact C-N 3.34Š|
| 1886 | T | 81.9 | Confident | 89.2 | Confident | 85 Ų | 85 | 34.7 Ų | 34.7 | 52% | 0.521 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -15.4 | 173.5 | 53.7 | 0 | 0 | 0 | 0 | 112.9 | D1884 T1888 | D1884-T1886 WeakPolarHBondContact CB-OG1 3.36Å; D1884-T1886 PolarHBondContact O-N 3.21Å; D1884-T1886 VanDerWaalsContact O-N 3.12Å; T1886-T1888 VanDerWaalsContact C-N 3.3Å; T1886-T1888 PolarHBondContact O-N 2.74Å; T1886-T1888 PolarHBondContact OG1-N 3.11Å; T1886-T1888 VanDerWaalsContact OG1-N 3.13Å; T1886-T1888 PolarHBondContact OG1-OG1 3.19Å |
| 1887 | G | 82.9 | Confident | 88.9 | Confident | 48.8 Ų | 48.8 | 33.9 Ų | 33.9 | 50% | 0.503 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 81.1 | 4.1 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G1882 D1884 K1885 | G1882-G1887 WeakPolarHBondContact CA-O 3.47Å; D1884-G1887 PolarHBondContact O-N 3.03Å; D1884-G1887 VanDerWaalsContact O-N 3.08Å; K1885-G1887 VanDerWaalsContact C-N 3.34Å |
| 1888 | T | 86.2 | Confident | 88.4 | Confident | 31.8 Ų | 31.8 | 35.2 Ų | 35.2 | 20% | 0.195 | 20% | 0.202 | C | C | . | . | trans | -104.8 | -166.1 | 172.5 | 64.3 | 0 | 0 | 0 | 0 | 110.6 | G1882 K1883 D1884 T1886 Q1909 | G1882-T1888 CarbonylContact C-O 3.56Å; G1882-T1888 VanDerWaalsContact CA-O 3.27Å; G1882-T1888 WeakPolarHBondContact CA-O 3.37Å; K1883-T1888 PolarHBondContact N-O 3.23Å; D1884-T1888 VanDerWaalsContact CB-O 3.3Å; D1884-T1888 WeakPolarHBondContact CB-O 3.36Å; D1884-T1888 PolarHBondContact N-O 3.28Å; D1884-T1888 PolarHBondContact OD2-OG1 3.06Å; T1886-T1888 VanDerWaalsContact C-N 3.3Å; T1886-T1888 PolarHBondContact O-N 2.74Å; T1886-T1888 PolarHBondContact OG1-N 3.11Å; T1886-T1888 VanDerWaalsContact OG1-N 3.13Å; T1886-T1888 PolarHBondContact OG1-OG1 3.19Å; T1888-Q1909 HydrophobicContact CG2-CB 4.31Å | ||
| 1889 | S | 88.9 | Confident | 88.2 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -147.6 | 161 | 166.6 | -75.7 | 0 | 0 | 0 | 0 | 108.6 | I1881 K1883 D1884 P1891 Q1909 E1910 D1936 | I1881-S1889 PolarHBondContact O-OG 3.35Å; K1883-S1889 WeakPolarHBondContact CB-OG 3.42Å; K1883-S1889 PolarHBondContact N-OG 3.42Å; K1883-S1889 VanDerWaalsContact N-OG 3.13Å; D1884-S1889 VanDerWaalsContact OD2-CA 3.24Å; D1884-S1889 WeakPolarHBondContact OD2-CA 3.3Å; D1884-S1889 PolarHBondContact OD2-N 3.43Å; S1889-P1891 WeakPolarHBondContact O-CD 3.41Å; S1889-Q1909 CarbonylContact O-C 3.45Å; S1889-Q1909 WeakPolarHBondContact O-CA 3.32Å; S1889-Q1909 PolarHBondContact O-N 3.06Å; S1889-Q1909 VanDerWaalsContact O-N 3.1Å; S1889-E1910 PolarHBondContact O-N 3.21Å; S1889-E1910 VanDerWaalsContact O-N 3.09Å; S1889-D1936 VanDerWaalsContact CA-OD1 3.3Å; S1889-D1936 WeakPolarHBondContact CA-OD1 3.31Å; S1889-D1936 WeakPolarHBondContact CA-OD2 3.23Å; S1889-D1936 VanDerWaalsContact CB-CG 3.46Å; S1889-D1936 VanDerWaalsContact CB-OD1 3.25Å; S1889-D1936 WeakPolarHBondContact CB-OD1 3.44Å; S1889-D1936 VanDerWaalsContact CB-OD2 3.3Å; S1889-D1936 WeakPolarHBondContact CB-OD2 3.39Å; S1889-D1936 PolarHBondContact OG-OD2 3.25Å | ||
| 1890 | D | 91.8 | Very high | 88.3 | Confident | 38.8 Ų | 38.8 | 47 Ų | 47 | 21% | 0.207 | 26% | 0.258 | C | S | . | . | trans | -102.9 | 73.3 | 169.2 | -73.8 | -5.2 | 0 | 0 | 0 | 109.6 | T1906 V1907 P1908 Q1909 D1936 E1937 | D1890-T1906 HydrophobicContact CB-CG2 3.97Å; D1890-T1906 WeakPolarHBondContact O-CG2 3.37Å; D1890-V1907 CarbonylContact C-O 3.56Å; D1890-V1907 WeakPolarHBondContact CA-O 3.39Å; D1890-P1908 WeakPolarHBondContact OD1-CA 3.33Å; D1890-Q1909 WeakPolarHBondContact OD1-CG 3.33Å; D1890-Q1909 PolarHBondContact OD1-N 3.25Å; D1890-D1936 WeakPolarHBondContact CA-OD1 3.36Å; D1890-D1936 PolarHBondContact N-OD1 3.15Å; D1890-E1937 HydrophobicContact CB-CB 4.5Å; D1890-E1937 PolarHBondContact O-N 3.08Å; D1890-E1937 VanDerWaalsContact O-N 3.09Å | ||
| 1891 | P | 94.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 138.6 | -170.3 | 29.5 | -40.7 | 0 | 0 | 0 | 115.5 | L1880 S1889 V1907 E1910 P1913 W1915 V1934 W1935 L1957 | L1880-P1891 HydrophobicContact CD1-CB 3.66Å; L1880-P1891 HydrophobicContact CD1-CG 3.91Å; S1889-P1891 WeakPolarHBondContact O-CD 3.41Å; P1891-V1907 WeakPolarHBondContact CD-O 3.42Å; P1891-V1907 PolarHBondContact O-N 3.14Å; P1891-E1910 VanDerWaalsContact CD-O 3.28Å; P1891-E1910 WeakPolarHBondContact CD-O 3.35Å; P1891-E1910 VanDerWaalsContact CG-O 3.23Å; P1891-E1910 WeakPolarHBondContact CG-O 3.29Å; P1891-P1913 HydrophobicContact CB-CG 4.14Å; P1891-P1913 HydrophobicContact CG-CB 3.75Å; P1891-P1913 HydrophobicContact CG-CG 3.56Å; P1891-W1915 HydrophobicContact CB-CZ2 4.07Å; P1891-W1915 HydrophobicContact CG-CZ2 4.43Å; P1891-W1915 PolarHBondContact O-NE1 2.89Å; P1891-V1934 HydrophobicContact CB-CG1 4.25Å; P1891-W1935 CarbonylContact C-O 3.5Å; P1891-W1935 VanDerWaalsContact CA-O 3.29Å; P1891-W1935 WeakPolarHBondContact CA-O 3.36Å; P1891-L1957 HydrophobicContact CB-CD1 3.81Å |
| 1892 | Y | 95.4 | Very high | 88.7 | Confident | 15.6 Ų | 15.6 | 54.2 Ų | 54.2 | 6% | 0.061 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 159.2 | 163.3 | 79.6 | -86.6 | 0 | 0 | 0 | 111.9 | T1894 R1903 V1934 W1935 E1937 D1954 | Y1892-T1894 HydrophobicContact CD2-CG2 4.17Å; Y1892-T1894 HydrophobicContact CE2-CG2 3.52Å; Y1892-T1894 VanDerWaalsContact CE2-CG2 3.46Å; Y1892-R1903 HydrophobicContact CD2-CB 4.19Å; Y1892-R1903 VanDerWaalsContact CD2-CZ 3.49Å; Y1892-R1903 VanDerWaalsContact CD2-NE 3.31Å; Y1892-R1903 HydrophobicContact CE2-CB 4.26Å; Y1892-V1934 WeakPolarHBondContact O-CA 3.31Å; Y1892-W1935 HydrophobicContact CD1-CB 3.95Å; Y1892-W1935 HydrophobicContact CD2-CB 4.49Å; Y1892-W1935 HydrophobicContact CE1-CB 3.49Å; Y1892-W1935 VanDerWaalsContact CE1-CB 3.49Å; Y1892-W1935 HydrophobicContact CE1-CG 4.32Å; Y1892-W1935 HydrophobicContact CE2-CB 4.24Å; Y1892-W1935 AromaticContact CE2-CD1 3.8Å; Y1892-W1935 HydrophobicContact CE2-CG 4.35Å; Y1892-W1935 HydrophobicContact CG-CB 4.39Å; Y1892-W1935 VanDerWaalsContact CZ-CB 3.44Å; Y1892-W1935 AromaticContact CZ-CD1 3.9Å; Y1892-W1935 AromaticContact CZ-CG 3.79Å; Y1892-W1935 PolarHBondContact N-O 3.23Å; Y1892-W1935 PolarHBondContact O-N 3.2Å; Y1892-E1937 HydrophobicContact CD1-CB 3.97Å; Y1892-E1937 HydrophobicContact CE1-CB 4.11Å; Y1892-E1937 HydrophobicContact CE1-CG 4.38Å; Y1892-D1954 HydrophobicContact CE1-CB 4.39Å; Y1892-D1954 VanDerWaalsContact CE1-OD2 3.29Å; Y1892-D1954 WeakPolarHBondContact CE1-OD2 3.29Å; Y1892-D1954 VanDerWaalsContact CZ-OD2 3.3Å; Y1892-D1954 PolarHBondContact OH-OD2 3.15Å |
| 1893 | V | 96.2 | Very high | 89 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 130.2 | -176.6 | -172.1 | 0 | 0 | 0 | 0 | 110.7 | I1874 V1895 R1903 T1904 W1915 I1932 R1933 V1934 I1990 | I1874-V1893 HydrophobicContact CD1-CB 3.79Å; I1874-V1893 HydrophobicContact CD1-CG1 4.07Å; I1874-V1893 HydrophobicContact CD1-CG2 4.49Å; I1874-V1893 HydrophobicContact CG1-CG1 4.47Å; I1874-V1893 HydrophobicContact CG2-CB 4.35Å; I1874-V1893 HydrophobicContact CG2-CG1 4.43Å; I1874-V1893 HydrophobicContact CG2-CG2 4.08Å; V1893-V1895 HydrophobicContact CG1-CG2 4.27Å; V1893-R1903 CarbonylContact O-C 3.53Å; V1893-R1903 VanDerWaalsContact O-CA 3.23Å; V1893-R1903 WeakPolarHBondContact O-CA 3.37Å; V1893-T1904 HydrophobicContact CB-CG2 4Å; V1893-T1904 PolarHBondContact N-OG1 3.3Å; V1893-T1904 PolarHBondContact O-N 3.21Å; V1893-T1904 PolarHBondContact O-OG1 3.19Å; V1893-W1915 HydrophobicContact CG2-CD2 4.16Å; V1893-W1915 HydrophobicContact CG2-CE3 4.05Å; V1893-W1915 HydrophobicContact CG2-CH2 3.32Å; V1893-W1915 HydrophobicContact CG2-CZ2 3.49Å; V1893-W1915 VanDerWaalsContact CG2-CZ2 3.48Å; V1893-W1915 HydrophobicContact CG2-CZ3 3.62Å; V1893-I1932 HydrophobicContact CG1-CG2 3.52Å; V1893-I1932 VanDerWaalsContact CG1-CG2 3.44Å; V1893-R1933 CarbonylContact C-O 3.53Å; V1893-R1933 WeakPolarHBondContact CA-O 3.39Å; V1893-V1934 HydrophobicContact CG2-CG1 4.44Å; V1893-V1934 HydrophobicContact CG2-CG2 4.3Å; V1893-I1990 HydrophobicContact CG1-CD1 4.08Å; V1893-I1990 HydrophobicContact CG2-CD1 3.91Å |
| 1894 | T | 94.6 | Very high | 89.6 | Confident | 5.2 Ų | 5.2 | 54.7 Ų | 54.7 | 3% | 0.032 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 130.7 | 166.8 | 63.2 | 0 | 0 | 0 | 0 | 110.5 | Y1892 K1901 K1902 R1903 I1932 R1933 W1935 | Y1892-T1894 HydrophobicContact CD2-CG2 4.17Å; Y1892-T1894 HydrophobicContact CE2-CG2 3.52Å; Y1892-T1894 VanDerWaalsContact CE2-CG2 3.46Å; T1894-K1901 VanDerWaalsContact CB-CE 3.46Å; T1894-K1902 CarbonylContact C-O 3.51Å; T1894-K1902 VanDerWaalsContact CA-O 3.32Å; T1894-K1902 WeakPolarHBondContact CA-O 3.31Å; T1894-R1903 HydrophobicContact CG2-CB 4.1Å; T1894-I1932 CarbonylContact O-C 3.58Å; T1894-I1932 WeakPolarHBondContact O-CA 3.44Å; T1894-R1933 PolarHBondContact N-O 3.07Å; T1894-R1933 PolarHBondContact O-N 2.99Å; T1894-R1933 PolarHBondContact OG1-O 3.07Å; T1894-R1933 VanDerWaalsContact OG1-O 3.1Å; T1894-W1935 PolarHBondContact OG1-NE1 2.99Å |
| 1895 | V | 94.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 120.2 | 178.7 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | I1872 I1874 V1893 V1897 K1901 K1902 F1919 F1921 I1930 I1932 | I1872-V1895 HydrophobicContact CD1-CG1 3.64Å; I1872-V1895 HydrophobicContact CG2-CG1 4.36Å; I1874-V1895 HydrophobicContact CD1-CG2 3.54Å; I1874-V1895 HydrophobicContact CG1-CG2 4.06Å; V1893-V1895 HydrophobicContact CG1-CG2 4.27Å; V1895-V1897 HydrophobicContact CG1-CG2 4.46Å; V1895-K1901 CarbonylContact O-C 3.55Å; V1895-K1901 WeakPolarHBondContact O-CA 3.4Å; V1895-K1902 PolarHBondContact N-O 3.08Å; V1895-K1902 PolarHBondContact O-N 3.21Å; V1895-F1919 HydrophobicContact CB-CD2 4.46Å; V1895-F1919 HydrophobicContact CG2-CD2 4.01Å; V1895-F1919 HydrophobicContact CG2-CE2 4.19Å; V1895-F1921 HydrophobicContact CB-CE2 4.42Å; V1895-F1921 HydrophobicContact CB-CZ 4.09Å; V1895-F1921 HydrophobicContact CG1-CE2 3.7Å; V1895-F1921 HydrophobicContact CG1-CZ 3.68Å; V1895-I1930 HydrophobicContact CG1-CG2 4.14Å; V1895-I1932 HydrophobicContact CG1-CG1 4.18Å; V1895-I1932 HydrophobicContact CG2-CD1 4.47Å; V1895-I1932 HydrophobicContact CG2-CG1 4.33Å; V1895-I1932 HydrophobicContact CG2-CG2 4.44Å |
| 1896 | Q | 91.3 | Very high | 90.7 | Very high | 40.4 Ų | 40.4 | 51.8 Ų | 51.8 | 19% | 0.189 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 125.5 | 179.7 | -178.7 | -173.2 | -27.1 | 0 | 0 | 110.6 | E1763 G1898 V1900 K1901 I1930 K1931 | E1763-Q1896 PolarHBondContact OE1-NE2 3.42Å; Q1896-G1898 PolarHBondContact NE2-O 3.08Å; Q1896-V1900 CarbonylContact C-O 3.5Å; Q1896-V1900 VanDerWaalsContact CA-O 3.27Å; Q1896-V1900 WeakPolarHBondContact CA-O 3.37Å; Q1896-K1901 HydrophobicContact CB-CB 4.34Å; Q1896-K1901 HydrophobicContact CB-CG 4.32Å; Q1896-K1901 HydrophobicContact CG-CB 4.35Å; Q1896-I1930 CarbonylContact O-C 3.59Å; Q1896-I1930 WeakPolarHBondContact O-CA 3.36Å; Q1896-K1931 HydrophobicContact CB-CB 4.34Å; Q1896-K1931 PolarHBondContact N-O 3.14Å; Q1896-K1931 PolarHBondContact O-N 3.2Å |
| 1897 | V | 89.3 | Confident | 91.2 | Very high | 6.6 Ų | 6.6 | 49.3 Ų | 49.3 | 4% | 0.04 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 116.5 | 173 | -174.1 | 0 | 0 | 0 | 0 | 108.1 | I1870 I1872 V1895 K1899 V1900 F1921 C1923 I1930 L1964 | I1870-V1897 HydrophobicContact CD1-CG1 4.36Å; I1872-V1897 HydrophobicContact CD1-CG2 3.96Å; V1895-V1897 HydrophobicContact CG1-CG2 4.46Å; V1897-K1899 PolarHBondContact O-N 3.17Å; V1897-K1899 VanDerWaalsContact O-N 3.13Å; V1897-V1900 PolarHBondContact N-O 3.2Å; V1897-V1900 PolarHBondContact O-N 3.14Å; V1897-F1921 HydrophobicContact CB-CB 4.21Å; V1897-F1921 HydrophobicContact CB-CD1 3.67Å; V1897-F1921 HydrophobicContact CB-CE1 4.15Å; V1897-F1921 HydrophobicContact CB-CG 3.97Å; V1897-F1921 HydrophobicContact CG1-CB 4.46Å; V1897-F1921 HydrophobicContact CG2-CB 4.16Å; V1897-F1921 HydrophobicContact CG2-CD1 3.7Å; V1897-F1921 HydrophobicContact CG2-CD2 3.93Å; V1897-F1921 HydrophobicContact CG2-CE1 3.97Å; V1897-F1921 HydrophobicContact CG2-CE2 4.19Å; V1897-F1921 HydrophobicContact CG2-CG 3.67Å; V1897-F1921 HydrophobicContact CG2-CZ 4.2Å; V1897-C1923 HydrophobicContact CG1-CB 4.46Å; V1897-I1930 HydrophobicContact CG2-CB 4.39Å; V1897-I1930 HydrophobicContact CG2-CG1 4.15Å; V1897-I1930 HydrophobicContact CG2-CG2 3.99Å; V1897-L1964 HydrophobicContact CG1-CD1 4.4Å; V1897-L1964 HydrophobicContact CG1-CD2 4.44Å |
| 1898 | G | 82.1 | Confident | 91.5 | Very high | 30 Ų | 30 | 51.3 Ų | 51.3 | 31% | 0.309 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | -112.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q1896 D1928 | Q1896-G1898 PolarHBondContact NE2-O 3.08Å; G1898-D1928 WeakPolarHBondContact CA-OD2 3.32Å |
| 1899 | K | 82 | Confident | 91.6 | Very high | 212.4 Ų | 212.4 | 55.6 Ų | 55.6 | 92% | 0.923 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -13.5 | 178.1 | -63.5 | -177 | -178.6 | 178.9 | 0 | 114.5 | V1897 | V1897-K1899 PolarHBondContact O-N 3.17Å; V1897-K1899 VanDerWaalsContact O-N 3.13Å |
| 1900 | V | 89.5 | Confident | 91.6 | Very high | 74.8 Ų | 74.8 | 59.3 Ų | 59.3 | 45% | 0.453 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 123.6 | -173.4 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | Q1896 V1897 K1902 F1921 | Q1896-V1900 CarbonylContact C-O 3.5Å; Q1896-V1900 VanDerWaalsContact CA-O 3.27Å; Q1896-V1900 WeakPolarHBondContact CA-O 3.37Å; V1897-V1900 PolarHBondContact N-O 3.2Å; V1897-V1900 PolarHBondContact O-N 3.14Å; V1900-K1902 HydrophobicContact CG1-CG 4.47Å; V1900-F1921 HydrophobicContact CB-CD1 4.05Å; V1900-F1921 HydrophobicContact CB-CE1 4.11Å; V1900-F1921 HydrophobicContact CG1-CD1 3.95Å; V1900-F1921 HydrophobicContact CG1-CE1 3.8Å |
| 1901 | K | 90.8 | Very high | 91.5 | Very high | 122.2 Ų | 122.2 | 59.4 Ų | 59.4 | 53% | 0.531 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 135.1 | 173.7 | -173.8 | -178.9 | 179 | -171.9 | 0 | 110 | T1894 V1895 Q1896 | T1894-K1901 VanDerWaalsContact CB-CE 3.46Å; V1895-K1901 CarbonylContact O-C 3.55Å; V1895-K1901 WeakPolarHBondContact O-CA 3.4Å; Q1896-K1901 HydrophobicContact CB-CB 4.34Å; Q1896-K1901 HydrophobicContact CB-CG 4.32Å; Q1896-K1901 HydrophobicContact CG-CB 4.35Å |
| 1902 | K | 94.2 | Very high | 91.4 | Very high | 78.2 Ų | 78.2 | 62.7 Ų | 62.7 | 34% | 0.34 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 163.5 | 173.1 | -62.8 | -177.6 | 178 | 179.3 | 0 | 109.2 | T1894 V1895 V1900 F1919 Y1920 F1921 | T1894-K1902 CarbonylContact C-O 3.51Å; T1894-K1902 VanDerWaalsContact CA-O 3.32Å; T1894-K1902 WeakPolarHBondContact CA-O 3.31Å; V1895-K1902 PolarHBondContact N-O 3.08Å; V1895-K1902 PolarHBondContact O-N 3.21Å; V1900-K1902 HydrophobicContact CG1-CG 4.47Å; K1902-F1919 HydrophobicContact CB-CD1 3.93Å; K1902-F1919 HydrophobicContact CB-CE1 4.2Å; K1902-F1919 HydrophobicContact CB-CG 4.38Å; K1902-F1919 HydrophobicContact CD-CB 4.13Å; K1902-F1919 HydrophobicContact CD-CD1 3.83Å; K1902-F1919 HydrophobicContact CD-CG 4.29Å; K1902-F1919 HydrophobicContact CG-CD1 4.42Å; K1902-Y1920 PolarHBondContact NZ-O 3.11Å; K1902-F1921 HydrophobicContact CB-CZ 4.21Å; K1902-F1921 HydrophobicContact CD-CE1 4.11Å; K1902-F1921 HydrophobicContact CD-CE2 4.43Å; K1902-F1921 HydrophobicContact CD-CZ 3.85Å; K1902-F1921 HydrophobicContact CG-CE1 4.19Å; K1902-F1921 HydrophobicContact CG-CZ 4.04Å |
| 1903 | R | 94.2 | Very high | 91.3 | Very high | 99.6 Ų | 99.6 | 62 Ų | 62 | 38% | 0.376 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 154.3 | 172.4 | 71.2 | 172.2 | -78.7 | -176.9 | -9.4 | 111.7 | Y1892 V1893 T1894 T1906 F1919 E1937 | Y1892-R1903 HydrophobicContact CD2-CB 4.19Å; Y1892-R1903 VanDerWaalsContact CD2-CZ 3.49Å; Y1892-R1903 VanDerWaalsContact CD2-NE 3.31Å; Y1892-R1903 HydrophobicContact CE2-CB 4.26Å; V1893-R1903 CarbonylContact O-C 3.53Å; V1893-R1903 VanDerWaalsContact O-CA 3.23Å; V1893-R1903 WeakPolarHBondContact O-CA 3.37Å; T1894-R1903 HydrophobicContact CG2-CB 4.1Å; R1903-T1906 PolarHBondContact NH2-OG1 3.23Å; R1903-T1906 VanDerWaalsContact NH2-OG1 3.1Å; R1903-F1919 WeakPolarHBondContact O-CE1 3.49Å; R1903-F1919 WeakPolarHBondContact O-CZ 3.36Å; R1903-E1937 IonicContact CZ-OE1 3.14Å; R1903-E1937 VanDerWaalsContact CZ-OE1 3.22Å; R1903-E1937 IonicContact NH1-OE1 3.16Å; R1903-E1937 PolarHBondContact NH1-OE1 3.26Å; R1903-E1937 VanDerWaalsContact NH2-CD 3.27Å; R1903-E1937 IonicContact NH2-OE1 3.23Å; R1903-E1937 PolarHBondContact NH2-OE1 3.31Å; R1903-E1937 IonicContact NH2-OE2 3.02Å; R1903-E1937 PolarHBondContact NH2-OE2 2.99Å; R1903-E1937 VanDerWaalsContact NH2-OE2 3.12Å |
| 1904 | T | 96 | Very high | 91.2 | Very high | 4 Ų | 4 | 66.2 Ų | 66.2 | 3% | 0.025 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -76 | 170.8 | 164.6 | 63.1 | 0 | 0 | 0 | 0 | 111.3 | I1874 V1893 W1915 E1917 F1919 | I1874-T1904 HydrophobicContact CB-CG2 4.24Å; I1874-T1904 HydrophobicContact CD1-CG2 3.56Å; I1874-T1904 VanDerWaalsContact CD1-CG2 3.48Å; I1874-T1904 HydrophobicContact CG1-CG2 4.13Å; I1874-T1904 HydrophobicContact CG2-CG2 4.31Å; V1893-T1904 HydrophobicContact CB-CG2 4Å; V1893-T1904 PolarHBondContact N-OG1 3.3Å; V1893-T1904 PolarHBondContact O-N 3.21Å; V1893-T1904 PolarHBondContact O-OG1 3.19Å; T1904-W1915 HydrophobicContact CG2-CB 4.31Å; T1904-W1915 HydrophobicContact CG2-CG 4.13Å; T1904-W1915 PolarHBondContact OG1-NE1 3.17Å; T1904-E1917 WeakPolarHBondContact CA-OE2 3.33Å; T1904-E1917 WeakPolarHBondContact CB-OE1 3.29Å; T1904-E1917 HydrophobicContact CG2-CB 4.18Å; T1904-F1919 HydrophobicContact CG2-CE2 3.75Å; T1904-F1919 HydrophobicContact CG2-CZ 3.88Å |
| 1905 | K | 94.2 | Very high | 91.3 | Very high | 155.6 Ų | 155.6 | 67 Ų | 67 | 68% | 0.677 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 161.6 | 154.3 | -60.7 | 170.2 | -175.1 | 175.6 | 0 | 110.6 | W1915 E1917 | K1905-W1915 VanDerWaalsContact O-CD1 3.29Å; K1905-W1915 PolarHBondContact O-NE1 3.07Å; K1905-W1915 VanDerWaalsContact O-NE1 3.14Å; K1905-E1917 VanDerWaalsContact CB-OE1 3.29Å; K1905-E1917 WeakPolarHBondContact CB-OE1 3.4Å; K1905-E1917 VanDerWaalsContact CG-OE1 3.29Å; K1905-E1917 WeakPolarHBondContact CG-OE1 3.31Å; K1905-E1917 PolarHBondContact N-OE1 3.19Å; K1905-E1917 PolarHBondContact N-OE2 2.92Å |
| 1906 | T | 93.9 | Very high | 91.2 | Very high | 37.8 Ų | 37.8 | 71.9 Ų | 71.9 | 23% | 0.232 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -93 | 137.3 | 174.7 | -46.6 | 0 | 0 | 0 | 0 | 109 | D1890 R1903 E1937 | D1890-T1906 HydrophobicContact CB-CG2 3.97Å; D1890-T1906 WeakPolarHBondContact O-CG2 3.37Å; R1903-T1906 PolarHBondContact NH2-OG1 3.23Å; R1903-T1906 VanDerWaalsContact NH2-OG1 3.1Å; T1906-E1937 WeakPolarHBondContact CB-OE2 3.36Å; T1906-E1937 HydrophobicContact CG2-CB 3.82Å; T1906-E1937 WeakPolarHBondContact CG2-OE2 3.42Å; T1906-E1937 PolarHBondContact OG1-OE2 3.18Å |
| 1907 | V | 93 | Very high | 91.5 | Very high | 33.8 Ų | 33.8 | 71.9 Ų | 71.9 | 21% | 0.205 | 36% | 0.361 | C | S | . | . | trans | -105.6 | 118.3 | 171.9 | 179.8 | 0 | 0 | 0 | 0 | 106.7 | D1890 P1891 E1910 P1913 W1915 | D1890-V1907 CarbonylContact C-O 3.56Å; D1890-V1907 WeakPolarHBondContact CA-O 3.39Å; P1891-V1907 WeakPolarHBondContact CD-O 3.42Å; P1891-V1907 PolarHBondContact O-N 3.14Å; V1907-E1910 HydrophobicContact CG1-CB 3.88Å; V1907-E1910 HydrophobicContact CG1-CG 4.32Å; V1907-P1913 HydrophobicContact CB-CB 3.87Å; V1907-P1913 HydrophobicContact CG1-CB 4.1Å; V1907-P1913 HydrophobicContact CG2-CB 4.04Å; V1907-W1915 HydrophobicContact CG2-CG 4.48Å | ||
| 1908 | P | 89.9 | Confident | 91.7 | Very high | 90.6 Ų | 90.6 | 76.4 Ų | 76.4 | 59% | 0.588 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | 143.7 | -175.4 | 30.6 | -34.2 | 0 | 0 | 0 | 112.6 | D1890 E1910 | D1890-P1908 WeakPolarHBondContact OD1-CA 3.33Å; P1908-E1910 VanDerWaalsContact C-N 3.32Å; P1908-E1910 PolarHBondContact O-N 3.31Å |
| 1909 | Q | 87 | Confident | 92.4 | Very high | 122.6 Ų | 122.6 | 76 Ų | 76 | 57% | 0.573 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 37.5 | 169.6 | -58 | -173 | -3.8 | 0 | 0 | 115.8 | T1888 S1889 D1890 | T1888-Q1909 HydrophobicContact CG2-CB 4.31Å; S1889-Q1909 CarbonylContact O-C 3.45Å; S1889-Q1909 WeakPolarHBondContact O-CA 3.32Å; S1889-Q1909 PolarHBondContact O-N 3.06Å; S1889-Q1909 VanDerWaalsContact O-N 3.1Å; D1890-Q1909 WeakPolarHBondContact OD1-CG 3.33Å; D1890-Q1909 PolarHBondContact OD1-N 3.25Å |
| 1910 | E | 90.1 | Very high | 92.9 | Very high | 76.2 Ų | 76.2 | 72.9 Ų | 72.9 | 36% | 0.356 | 35% | 0.353 | S | S | . | . | trans | -131.4 | 132.5 | -175.3 | 179.4 | 55.6 | -94.2 | 0 | 0 | 111.5 | S1889 P1891 V1907 P1908 N1912 P1913 | S1889-E1910 PolarHBondContact O-N 3.21Å; S1889-E1910 VanDerWaalsContact O-N 3.09Å; P1891-E1910 VanDerWaalsContact CD-O 3.28Å; P1891-E1910 WeakPolarHBondContact CD-O 3.35Å; P1891-E1910 VanDerWaalsContact CG-O 3.23Å; P1891-E1910 WeakPolarHBondContact CG-O 3.29Å; V1907-E1910 HydrophobicContact CG1-CB 3.88Å; V1907-E1910 HydrophobicContact CG1-CG 4.32Å; P1908-E1910 VanDerWaalsContact C-N 3.32Å; P1908-E1910 PolarHBondContact O-N 3.31Å; E1910-N1912 PolarHBondContact OE1-N 3.1Å; E1910-N1912 PolarHBondContact OE1-ND2 3.21Å; E1910-P1913 HydrophobicContact CG-CB 4.29Å | ||
| 1911 | L | 89.9 | Confident | 93.1 | Very high | 42.8 Ų | 42.8 | 69.8 Ų | 69.8 | 22% | 0.224 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -97.3 | -9.1 | 178.1 | -59.2 | -177.4 | 0 | 0 | 0 | 112.8 | G1879 L1880 P1913 | G1879-L1911 PolarHBondContact N-O 3.13Å; L1880-L1911 HydrophobicContact CB-CB 4.4Å; L1880-L1911 HydrophobicContact CB-CD2 4.34Å; L1880-L1911 VanDerWaalsContact CB-O 3.32Å; L1880-L1911 WeakPolarHBondContact CB-O 3.37Å; L1880-L1911 WeakPolarHBondContact CG-O 3.39Å; L1880-L1911 PolarHBondContact N-O 3.12Å; L1911-P1913 WeakPolarHBondContact O-CD 3.39Å |
| 1912 | N | 90.7 | Very high | 93.1 | Very high | 68.2 Ų | 68.2 | 70.5 Ų | 70.5 | 37% | 0.365 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -124.3 | 51.3 | 176.9 | -48.9 | -74.6 | 0 | 0 | 0 | 111.8 | A1877 Q1878 G1879 E1910 | A1877-N1912 CarbonylContact O-C 3.54Å; A1877-N1912 WeakPolarHBondContact O-CA 3.39Å; Q1878-N1912 VanDerWaalsContact CA-OD1 3.3Å; Q1878-N1912 WeakPolarHBondContact CA-OD1 3.4Å; Q1878-N1912 VanDerWaalsContact CG-OD1 3.31Å; Q1878-N1912 WeakPolarHBondContact CG-OD1 3.33Å; G1879-N1912 PolarHBondContact N-OD1 3.06Å; E1910-N1912 PolarHBondContact OE1-N 3.1Å; E1910-N1912 PolarHBondContact OE1-ND2 3.21Å |
| 1913 | P | 93.4 | Very high | 92.7 | Very high | 0.2 Ų | 0.2 | 67 Ų | 67 | 0% | 0.001 | 32% | 0.324 | C | S | . | . | trans | -66 | 145.3 | -167.4 | 30.3 | -41 | 0 | 0 | 0 | 112.8 | C1876 A1877 L1880 P1891 V1907 E1910 L1911 W1915 | C1876-P1913 CarbonylContact C-O 3.54Å; C1876-P1913 WeakPolarHBondContact CA-O 3.38Å; C1876-P1913 VanDerWaalsContact CB-O 3.22Å; C1876-P1913 WeakPolarHBondContact CB-O 3.36Å; A1877-P1913 HydrophobicContact CB-CG 4.04Å; A1877-P1913 PolarHBondContact N-O 3.06Å; L1880-P1913 HydrophobicContact CD1-CG 3.71Å; P1891-P1913 HydrophobicContact CB-CG 4.14Å; P1891-P1913 HydrophobicContact CG-CB 3.75Å; P1891-P1913 HydrophobicContact CG-CG 3.56Å; V1907-P1913 HydrophobicContact CB-CB 3.87Å; V1907-P1913 HydrophobicContact CG1-CB 4.1Å; V1907-P1913 HydrophobicContact CG2-CB 4.04Å; E1910-P1913 HydrophobicContact CG-CB 4.29Å; L1911-P1913 WeakPolarHBondContact O-CD 3.39Å; P1913-W1915 HydrophobicContact CB-CD2 4.47Å; P1913-W1915 HydrophobicContact CB-CH2 3.97Å; P1913-W1915 HydrophobicContact CB-CZ2 3.76Å; P1913-W1915 HydrophobicContact CB-CZ3 4.39Å; P1913-W1915 HydrophobicContact CG-CE3 4.46Å; P1913-W1915 HydrophobicContact CG-CH2 3.23Å; P1913-W1915 HydrophobicContact CG-CZ2 3.47Å; P1913-W1915 VanDerWaalsContact CG-CZ2 3.46Å; P1913-W1915 HydrophobicContact CG-CZ3 3.79Å | ||
| 1914 | V | 94.9 | Very high | 92.1 | Very high | 88.8 Ų | 88.8 | 68.6 Ų | 68.6 | 54% | 0.538 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 119.7 | 175.1 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | C1876 N1916 | C1876-V1914 HydrophobicContact CB-CB 4.41Å; C1876-V1914 HydrophobicContact CB-CG2 3.99Å; V1914-N1916 VanDerWaalsContact CG1-ND2 3.32Å; V1914-N1916 WeakPolarHBondContact CG1-ND2 3.37Å |
| 1915 | W | 95.6 | Very high | 91.3 | Very high | 22 Ų | 22 | 69.6 Ų | 69.6 | 8% | 0.083 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | -46 | -179.7 | -62.5 | -80.1 | 0 | 0 | 0 | 112.4 | I1874 K1875 A1877 P1891 V1893 T1904 K1905 V1907 P1913 E1917 V1934 I1990 | I1874-W1915 HydrophobicContact CG2-CB 4.41Å; I1874-W1915 HydrophobicContact CG2-CD2 4.17Å; I1874-W1915 HydrophobicContact CG2-CE3 3.56Å; I1874-W1915 HydrophobicContact CG2-CG 4.47Å; I1874-W1915 HydrophobicContact CG2-CZ3 4.09Å; K1875-W1915 PolarHBondContact O-N 3.04Å; A1877-W1915 HydrophobicContact CB-CH2 3.89Å; A1877-W1915 HydrophobicContact CB-CZ3 3.74Å; P1891-W1915 HydrophobicContact CB-CZ2 4.07Å; P1891-W1915 HydrophobicContact CG-CZ2 4.43Å; P1891-W1915 PolarHBondContact O-NE1 2.89Å; V1893-W1915 HydrophobicContact CG2-CD2 4.16Å; V1893-W1915 HydrophobicContact CG2-CE3 4.05Å; V1893-W1915 HydrophobicContact CG2-CH2 3.32Å; V1893-W1915 HydrophobicContact CG2-CZ2 3.49Å; V1893-W1915 VanDerWaalsContact CG2-CZ2 3.48Å; V1893-W1915 HydrophobicContact CG2-CZ3 3.62Å; T1904-W1915 HydrophobicContact CG2-CB 4.31Å; T1904-W1915 HydrophobicContact CG2-CG 4.13Å; T1904-W1915 PolarHBondContact OG1-NE1 3.17Å; K1905-W1915 VanDerWaalsContact O-CD1 3.29Å; K1905-W1915 PolarHBondContact O-NE1 3.07Å; K1905-W1915 VanDerWaalsContact O-NE1 3.14Å; V1907-W1915 HydrophobicContact CG2-CG 4.48Å; P1913-W1915 HydrophobicContact CB-CD2 4.47Å; P1913-W1915 HydrophobicContact CB-CH2 3.97Å; P1913-W1915 HydrophobicContact CB-CZ2 3.76Å; P1913-W1915 HydrophobicContact CB-CZ3 4.39Å; P1913-W1915 HydrophobicContact CG-CE3 4.46Å; P1913-W1915 HydrophobicContact CG-CH2 3.23Å; P1913-W1915 HydrophobicContact CG-CZ2 3.47Å; P1913-W1915 VanDerWaalsContact CG-CZ2 3.46Å; P1913-W1915 HydrophobicContact CG-CZ3 3.79Å; W1915-E1917 HydrophobicContact CB-CB 4.49Å; W1915-E1917 HydrophobicContact CB-CG 4.36Å; W1915-E1917 PolarHBondContact O-N 3.09Å; W1915-E1917 VanDerWaalsContact O-N 3.15Å; W1915-V1934 HydrophobicContact CH2-CG1 4.46Å; W1915-I1990 HydrophobicContact CZ3-CD1 4.36Å |
| 1916 | N | 93.8 | Very high | 90.4 | Very high | 104 Ų | 104 | 63.2 Ų | 63.2 | 56% | 0.556 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.4 | 33.6 | -170.5 | -66.5 | -44 | 0 | 0 | 0 | 114.6 | I1874 K1875 V1914 | I1874-N1916 CarbonylContact O-C 3.58Å; I1874-N1916 WeakPolarHBondContact O-CA 3.41Å; I1874-N1916 PolarHBondContact O-N 3.08Å; K1875-N1916 PolarHBondContact O-N 3.2Å; K1875-N1916 VanDerWaalsContact O-N 3.09Å; V1914-N1916 VanDerWaalsContact CG1-ND2 3.32Å; V1914-N1916 WeakPolarHBondContact CG1-ND2 3.37Å |
| 1917 | E | 96.1 | Very high | 89.4 | Confident | 39.6 Ų | 39.6 | 62.7 Ų | 62.7 | 19% | 0.185 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 133 | -177 | -74.2 | -172.2 | -129.1 | 0 | 0 | 112.6 | T1873 I1874 T1904 K1905 W1915 F1919 | T1873-E1917 CarbonylContact C-O 3.53Å; T1873-E1917 VanDerWaalsContact CA-O 3.31Å; T1873-E1917 WeakPolarHBondContact CA-O 3.38Å; I1874-E1917 PolarHBondContact N-O 3.09Å; I1874-E1917 PolarHBondContact O-N 3.09Å; I1874-E1917 VanDerWaalsContact O-N 3.12Å; T1904-E1917 WeakPolarHBondContact CA-OE2 3.33Å; T1904-E1917 WeakPolarHBondContact CB-OE1 3.29Å; T1904-E1917 HydrophobicContact CG2-CB 4.18Å; K1905-E1917 VanDerWaalsContact CB-OE1 3.29Å; K1905-E1917 WeakPolarHBondContact CB-OE1 3.4Å; K1905-E1917 VanDerWaalsContact CG-OE1 3.29Å; K1905-E1917 WeakPolarHBondContact CG-OE1 3.31Å; K1905-E1917 PolarHBondContact N-OE1 3.19Å; K1905-E1917 PolarHBondContact N-OE2 2.92Å; W1915-E1917 HydrophobicContact CB-CB 4.49Å; W1915-E1917 HydrophobicContact CB-CG 4.36Å; W1915-E1917 PolarHBondContact O-N 3.09Å; W1915-E1917 VanDerWaalsContact O-N 3.15Å; E1917-F1919 HydrophobicContact CB-CE2 4.11Å; E1917-F1919 HydrophobicContact CB-CZ 4.02Å |
| 1918 | K | 95.1 | Very high | 88.8 | Confident | 100.6 Ų | 100.6 | 63.1 Ų | 63.1 | 44% | 0.437 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 126.3 | -175.3 | -170.7 | 169.2 | -174.7 | 178.9 | 0 | 112.6 | I1872 T1873 Y1920 | I1872-K1918 CarbonylContact O-C 3.43Å; I1872-K1918 WeakPolarHBondContact O-CA 3.4Å; T1873-K1918 HydrophobicContact CG2-CB 4.24Å; T1873-K1918 WeakPolarHBondContact OG1-CG 3.3Å; K1918-Y1920 HydrophobicContact CD-CE1 4.31Å; K1918-Y1920 HydrophobicContact CD-CE2 4.43Å; K1918-Y1920 VanDerWaalsContact CE-OH 3.28Å; K1918-Y1920 WeakPolarHBondContact CE-OH 3.36Å; K1918-Y1920 HydrophobicContact CG-CE2 4.27Å; K1918-Y1920 PolarHBondContact NZ-OH 3.08Å |
| 1919 | F | 95.2 | Very high | 88.6 | Confident | 22.8 Ų | 22.8 | 60 Ų | 60 | 10% | 0.1 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 128.3 | -179.5 | -57.4 | -67.3 | 0 | 0 | 0 | 111.7 | A1871 I1872 I1874 V1895 K1902 R1903 T1904 E1917 F1921 | A1871-F1919 CarbonylContact C-O 3.5Å; A1871-F1919 WeakPolarHBondContact CA-O 3.3Å; I1872-F1919 PolarHBondContact N-O 3.13Å; I1872-F1919 PolarHBondContact O-N 3.11Å; I1874-F1919 HydrophobicContact CD1-CD2 4.16Å; I1874-F1919 HydrophobicContact CD1-CE2 3.75Å; I1874-F1919 HydrophobicContact CG1-CD2 4.16Å; I1874-F1919 HydrophobicContact CG1-CE2 3.95Å; V1895-F1919 HydrophobicContact CB-CD2 4.46Å; V1895-F1919 HydrophobicContact CG2-CD2 4.01Å; V1895-F1919 HydrophobicContact CG2-CE2 4.19Å; K1902-F1919 HydrophobicContact CB-CD1 3.93Å; K1902-F1919 HydrophobicContact CB-CE1 4.2Å; K1902-F1919 HydrophobicContact CB-CG 4.38Å; K1902-F1919 HydrophobicContact CD-CB 4.13Å; K1902-F1919 HydrophobicContact CD-CD1 3.83Å; K1902-F1919 HydrophobicContact CD-CG 4.29Å; K1902-F1919 HydrophobicContact CG-CD1 4.42Å; R1903-F1919 WeakPolarHBondContact O-CE1 3.49Å; R1903-F1919 WeakPolarHBondContact O-CZ 3.36Å; T1904-F1919 HydrophobicContact CG2-CE2 3.75Å; T1904-F1919 HydrophobicContact CG2-CZ 3.88Å; E1917-F1919 HydrophobicContact CB-CE2 4.11Å; E1917-F1919 HydrophobicContact CB-CZ 4.02Å; F1919-F1921 HydrophobicContact CB-CD2 4.3Å; F1919-F1921 HydrophobicContact CB-CE2 3.53Å; F1919-F1921 HydrophobicContact CB-CZ 4.2Å |
| 1920 | Y | 94.4 | Very high | 88.8 | Confident | 146 Ų | 146 | 54.2 Ų | 54.2 | 57% | 0.573 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 138.6 | 174.3 | -60.2 | -86.9 | 0 | 0 | 0 | 111.5 | I1870 A1871 K1902 K1918 | I1870-Y1920 CarbonylContact O-C 3.54Å; I1870-Y1920 WeakPolarHBondContact O-CA 3.29Å; A1871-Y1920 HydrophobicContact CB-CD1 3.84Å; A1871-Y1920 HydrophobicContact CB-CE1 3.8Å; K1902-Y1920 PolarHBondContact NZ-O 3.11Å; K1918-Y1920 HydrophobicContact CD-CE1 4.31Å; K1918-Y1920 HydrophobicContact CD-CE2 4.43Å; K1918-Y1920 VanDerWaalsContact CE-OH 3.28Å; K1918-Y1920 WeakPolarHBondContact CE-OH 3.36Å; K1918-Y1920 HydrophobicContact CG-CE2 4.27Å; K1918-Y1920 PolarHBondContact NZ-OH 3.08Å |
| 1921 | F | 93.1 | Very high | 88.8 | Confident | 10.6 Ų | 10.6 | 51.3 Ų | 51.3 | 5% | 0.046 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 145.9 | 174.6 | -61.1 | -94.6 | 0 | 0 | 0 | 109.7 | I1870 I1872 V1895 V1897 V1900 K1902 F1919 | I1870-F1921 HydrophobicContact CB-CB 4.4Å; I1870-F1921 PolarHBondContact N-O 3.16Å; I1870-F1921 PolarHBondContact O-N 3.35Å; I1872-F1921 HydrophobicContact CD1-CD2 3.74Å; I1872-F1921 HydrophobicContact CD1-CE2 3.74Å; I1872-F1921 HydrophobicContact CG1-CD2 4.21Å; I1872-F1921 HydrophobicContact CG1-CE2 4.37Å; V1895-F1921 HydrophobicContact CB-CE2 4.42Å; V1895-F1921 HydrophobicContact CB-CZ 4.09Å; V1895-F1921 HydrophobicContact CG1-CE2 3.7Å; V1895-F1921 HydrophobicContact CG1-CZ 3.68Å; V1897-F1921 HydrophobicContact CB-CB 4.21Å; V1897-F1921 HydrophobicContact CB-CD1 3.67Å; V1897-F1921 HydrophobicContact CB-CE1 4.15Å; V1897-F1921 HydrophobicContact CB-CG 3.97Å; V1897-F1921 HydrophobicContact CG1-CB 4.46Å; V1897-F1921 HydrophobicContact CG2-CB 4.16Å; V1897-F1921 HydrophobicContact CG2-CD1 3.7Å; V1897-F1921 HydrophobicContact CG2-CD2 3.93Å; V1897-F1921 HydrophobicContact CG2-CE1 3.97Å; V1897-F1921 HydrophobicContact CG2-CE2 4.19Å; V1897-F1921 HydrophobicContact CG2-CG 3.67Å; V1897-F1921 HydrophobicContact CG2-CZ 4.2Å; V1900-F1921 HydrophobicContact CB-CD1 4.05Å; V1900-F1921 HydrophobicContact CB-CE1 4.11Å; V1900-F1921 HydrophobicContact CG1-CD1 3.95Å; V1900-F1921 HydrophobicContact CG1-CE1 3.8Å; K1902-F1921 HydrophobicContact CB-CZ 4.21Å; K1902-F1921 HydrophobicContact CD-CE1 4.11Å; K1902-F1921 HydrophobicContact CD-CE2 4.43Å; K1902-F1921 HydrophobicContact CD-CZ 3.85Å; K1902-F1921 HydrophobicContact CG-CE1 4.19Å; K1902-F1921 HydrophobicContact CG-CZ 4.04Å; F1919-F1921 HydrophobicContact CB-CD2 4.3Å; F1919-F1921 HydrophobicContact CB-CE2 3.53Å; F1919-F1921 HydrophobicContact CB-CZ 4.2Å |
| 1922 | E | 90.1 | Very high | 88.9 | Confident | 136.4 Ų | 136.4 | 49.3 Ų | 49.3 | 64% | 0.637 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 136.7 | 168.9 | -60.6 | -167.8 | 142.7 | 0 | 0 | 108.5 | K1869 | K1869-E1922 WeakPolarHBondContact CE-OE1 3.31Å; K1869-E1922 HydrophobicContact CG-CG 4.43Å |
| 1923 | C | 85.3 | Confident | 89 | Confident | 3.8 Ų | 3.8 | 47 Ų | 47 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 144 | 179.3 | -169.5 | 0 | 0 | 0 | 0 | 111.6 | W1866 S1867 A1868 I1870 V1897 N1925 L1964 | W1866-C1923 HydrophobicContact CH2-CB 4.41Å; W1866-C1923 HydrophobicContact CZ3-CB 4.11Å; S1867-C1923 CarbonylContact C-O 3.54Å; S1867-C1923 VanDerWaalsContact CA-O 3.29Å; S1867-C1923 WeakPolarHBondContact CA-O 3.4Å; A1868-C1923 PolarHBondContact N-O 3.24Å; A1868-C1923 PolarHBondContact O-N 3.1Å; I1870-C1923 HydrophobicContact CD1-CB 3.94Å; V1897-C1923 HydrophobicContact CG1-CB 4.46Å; C1923-N1925 PolarHBondContact SG-N 3.2Å; C1923-N1925 VanDerWaalsContact SG-N 3.44Å; C1923-N1925 PolarHBondContact SG-O 3.21Å; C1923-N1925 VanDerWaalsContact SG-O 3.36Å; C1923-L1964 HydrophobicContact CB-CD1 4.23Å; C1923-L1964 HydrophobicContact CB-CD2 3.76Å; C1923-L1964 VanDerWaalsContact SG-CD1 3.6Å; C1923-L1964 WeakPolarHBondContact SG-CD2 3.37Å |
| 1924 | H | 82.7 | Confident | 89.1 | Confident | 134 Ų | 134 | 47 Ų | 47 | 62% | 0.62 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -123.7 | 22.1 | -179.6 | -46.5 | -56 | 0 | 0 | 0 | 111.6 | ||
| 1925 | N | 78.5 | Confident | 89 | Confident | 25.8 Ų | 25.8 | 43.5 Ų | 43.5 | 14% | 0.138 | 20% | 0.204 | C | C | . | . | trans | -151.1 | 108.5 | -178.6 | -179.3 | 18.3 | 0 | 0 | 0 | 111.2 | T1863 W1866 C1923 S1927 D1928 | T1863-N1925 WeakPolarHBondContact CG2-OD1 3.37Å; W1866-N1925 VanDerWaalsContact CZ3-C 3.46Å; C1923-N1925 PolarHBondContact SG-N 3.2Å; C1923-N1925 VanDerWaalsContact SG-N 3.44Å; C1923-N1925 PolarHBondContact SG-O 3.21Å; C1923-N1925 VanDerWaalsContact SG-O 3.36Å; N1925-S1927 PolarHBondContact O-N 3.24Å; N1925-S1927 VanDerWaalsContact O-N 3.1Å; N1925-S1927 VanDerWaalsContact OD1-CB 3.29Å; N1925-S1927 WeakPolarHBondContact OD1-CB 3.31Å; N1925-S1927 PolarHBondContact OD1-N 3.08Å; N1925-S1927 VanDerWaalsContact OD1-N 3.09Å; N1925-D1928 HydrophobicContact CB-CB 4.45Å; N1925-D1928 PolarHBondContact ND2-N 3.26Å; N1925-D1928 PolarHBondContact ND2-OD1 3.27Å; N1925-D1928 WeakPolarHBondContact O-CB 3.4Å; N1925-D1928 PolarHBondContact O-N 3.14Å | ||
| 1926 | A | 75.4 | Confident | 88.8 | Confident | 19.8 Ų | 19.8 | 42.5 Ų | 42.5 | 16% | 0.164 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -15.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T1863 W1866 D1928 L1964 R1965 | T1863-A1926 HydrophobicContact CG2-CB 4.06Å; W1866-A1926 HydrophobicContact CD2-CB 3.77Å; W1866-A1926 HydrophobicContact CE3-CB 4.13Å; W1866-A1926 VanDerWaalsContact CE3-N 3.3Å; W1866-A1926 HydrophobicContact CG-CB 4.14Å; W1866-A1926 HydrophobicContact CH2-CB 4.45Å; W1866-A1926 HydrophobicContact CZ2-CB 4.14Å; W1866-A1926 HydrophobicContact CZ3-CB 4.45Å; A1926-D1928 VanDerWaalsContact C-N 3.32Å; A1926-L1964 WeakPolarHBondContact O-CB 3.28Å; A1926-R1965 PolarHBondContact O-N 2.97Å |
| 1927 | S | 73.4 | Confident | 88.5 | Confident | 27.6 Ų | 27.6 | 39.8 Ų | 39.8 | 19% | 0.193 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -0.8 | 175 | -57.4 | 0 | 0 | 0 | 0 | 114.1 | Y1760 R1798 N1925 | Y1760-S1927 PolarHBondContact OH-O 3.22Å; Y1760-S1927 VanDerWaalsContact OH-O 3.09Å; R1798-S1927 PolarHBondContact NH2-O 2.93Å; N1925-S1927 PolarHBondContact O-N 3.24Å; N1925-S1927 VanDerWaalsContact O-N 3.1Å; N1925-S1927 VanDerWaalsContact OD1-CB 3.29Å; N1925-S1927 WeakPolarHBondContact OD1-CB 3.31Å; N1925-S1927 PolarHBondContact OD1-N 3.08Å; N1925-S1927 VanDerWaalsContact OD1-N 3.09Å |
| 1928 | D | 81 | Confident | 87.8 | Confident | 42.8 Ų | 42.8 | 39.3 Ų | 39.3 | 23% | 0.229 | 18% | 0.183 | C | C | . | . | trans | -69.4 | 165 | 169.4 | -81.9 | 6.3 | 0 | 0 | 0 | 110.2 | G1898 N1925 A1926 L1964 | G1898-D1928 WeakPolarHBondContact CA-OD2 3.32Å; N1925-D1928 HydrophobicContact CB-CB 4.45Å; N1925-D1928 PolarHBondContact ND2-N 3.26Å; N1925-D1928 PolarHBondContact ND2-OD1 3.27Å; N1925-D1928 WeakPolarHBondContact O-CB 3.4Å; N1925-D1928 PolarHBondContact O-N 3.14Å; A1926-D1928 VanDerWaalsContact C-N 3.32Å; D1928-L1964 HydrophobicContact CB-CD1 4.12Å; D1928-L1964 HydrophobicContact CB-CD2 4.19Å; D1928-L1964 WeakPolarHBondContact O-CD1 3.38Å; D1928-L1964 PolarHBondContact O-N 3.28Å; D1928-L1964 VanDerWaalsContact O-N 3.14Å | ||
| 1929 | R | 84.6 | Confident | 86.6 | Confident | 26.4 Ų | 26.4 | 40.1 Ų | 40.1 | 10% | 0.1 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 136.5 | 179.1 | -58.3 | -173 | -72.2 | 165.8 | -2.9 | 109.9 | Y1760 E1761 K1931 I1961 I1962 E1963 | Y1760-R1929 PolarHBondContact O-NH2 3.21Å; Y1760-R1929 VanDerWaalsContact O-NH2 3.14Å; E1761-R1929 VanDerWaalsContact CD-NH1 3.32Å; E1761-R1929 VanDerWaalsContact CD-NH2 3.3Å; E1761-R1929 PolarHBondContact O-NH2 3.2Å; E1761-R1929 IonicContact OE1-CZ 2.98Å; E1761-R1929 IonicContact OE1-NH1 3.32Å; E1761-R1929 PolarHBondContact OE1-NH1 3.28Å; E1761-R1929 IonicContact OE1-NH2 3.46Å; E1761-R1929 PolarHBondContact OE1-NH2 3.16Å; E1761-R1929 IonicContact OE2-CZ 2.86Å; E1761-R1929 VanDerWaalsContact OE2-CZ 3.32Å; E1761-R1929 IonicContact OE2-NH1 2.97Å; E1761-R1929 PolarHBondContact OE2-NH1 3.08Å; E1761-R1929 VanDerWaalsContact OE2-NH1 3.08Å; E1761-R1929 IonicContact OE2-NH2 3.22Å; E1761-R1929 PolarHBondContact OE2-NH2 3.11Å; E1761-R1929 VanDerWaalsContact OE2-NH2 3.11Å; R1929-K1931 PolarHBondContact O-N 3.14Å; R1929-I1961 HydrophobicContact CB-CG2 4.11Å; R1929-I1962 CarbonylContact C-O 3.52Å; R1929-I1962 VanDerWaalsContact CA-O 3.3Å; R1929-I1962 WeakPolarHBondContact CA-O 3.27Å; R1929-E1963 HydrophobicContact CG-CB 4.41Å; R1929-E1963 HydrophobicContact CG-CG 4.23Å |
| 1930 | I | 90.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 114.4 | 167.7 | -46.8 | -177.9 | 0 | 0 | 0 | 106.6 | I1870 I1872 V1895 Q1896 V1897 I1932 I1961 I1962 L1964 L1967 I1994 | I1870-I1930 HydrophobicContact CG2-CD1 4.26Å; I1872-I1930 HydrophobicContact CD1-CD1 3.85Å; I1872-I1930 HydrophobicContact CD1-CG1 4.45Å; I1872-I1930 HydrophobicContact CD1-CG2 3.61Å; I1872-I1930 HydrophobicContact CG1-CD1 4.46Å; V1895-I1930 HydrophobicContact CG1-CG2 4.14Å; Q1896-I1930 CarbonylContact O-C 3.59Å; Q1896-I1930 WeakPolarHBondContact O-CA 3.36Å; V1897-I1930 HydrophobicContact CG2-CB 4.39Å; V1897-I1930 HydrophobicContact CG2-CG1 4.15Å; V1897-I1930 HydrophobicContact CG2-CG2 3.99Å; I1930-I1932 HydrophobicContact CG2-CD1 3.87Å; I1930-I1932 HydrophobicContact CG2-CG1 3.81Å; I1930-I1961 WeakPolarHBondContact O-CA 3.36Å; I1930-I1962 HydrophobicContact CB-CB 4.25Å; I1930-I1962 PolarHBondContact N-O 2.89Å; I1930-I1962 PolarHBondContact O-N 3.05Å; I1930-L1964 HydrophobicContact CD1-CD1 4.45Å; I1930-L1964 HydrophobicContact CD1-CD2 4.25Å; I1930-L1964 HydrophobicContact CG1-CD1 3.55Å; I1930-L1964 HydrophobicContact CG1-CD2 4.37Å; I1930-L1964 HydrophobicContact CG1-CG 4.34Å; I1930-L1967 HydrophobicContact CD1-CD1 3.45Å; I1930-L1967 VanDerWaalsContact CD1-CD1 3.47Å; I1930-L1967 HydrophobicContact CG1-CD1 4.37Å; I1930-I1994 HydrophobicContact CD1-CD1 4.35Å |
| 1931 | K | 90.3 | Very high | 83.9 | Confident | 15.6 Ų | 15.6 | 42.1 Ų | 42.1 | 7% | 0.068 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 110.9 | 175.7 | -60.4 | -174.7 | -177.5 | -174.9 | 0 | 108.3 | E1761 E1763 Q1896 R1929 I1961 | E1761-K1931 PolarHBondContact O-NZ 3.47Å; E1761-K1931 VanDerWaalsContact O-NZ 3.12Å; E1763-K1931 VanDerWaalsContact OE1-CD 3.25Å; E1763-K1931 WeakPolarHBondContact OE1-CD 3.37Å; E1763-K1931 WeakPolarHBondContact OE1-CE 3.25Å; E1763-K1931 IonicContact OE1-NZ 3.19Å; E1763-K1931 PolarHBondContact OE1-NZ 2.97Å; E1763-K1931 IonicContact OE2-NZ 2.81Å; Q1896-K1931 HydrophobicContact CB-CB 4.34Å; Q1896-K1931 PolarHBondContact N-O 3.14Å; Q1896-K1931 PolarHBondContact O-N 3.2Å; R1929-K1931 PolarHBondContact O-N 3.14Å; K1931-I1961 HydrophobicContact CG-CG1 4.4Å; K1931-I1961 HydrophobicContact CG-CG2 4.4Å |
| 1932 | I | 93.6 | Very high | 82.7 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 120.9 | 179.4 | -65.3 | 175.5 | 0 | 0 | 0 | 106.6 | I1872 I1874 V1893 T1894 V1895 I1930 Q1959 A1960 I1962 I1990 L1992 | I1872-I1932 HydrophobicContact CG2-CD1 4.4Å; I1874-I1932 HydrophobicContact CD1-CD1 4.43Å; V1893-I1932 HydrophobicContact CG1-CG2 3.52Å; V1893-I1932 VanDerWaalsContact CG1-CG2 3.44Å; T1894-I1932 CarbonylContact O-C 3.58Å; T1894-I1932 WeakPolarHBondContact O-CA 3.44Å; V1895-I1932 HydrophobicContact CG1-CG1 4.18Å; V1895-I1932 HydrophobicContact CG2-CD1 4.47Å; V1895-I1932 HydrophobicContact CG2-CG1 4.33Å; V1895-I1932 HydrophobicContact CG2-CG2 4.44Å; I1930-I1932 HydrophobicContact CG2-CD1 3.87Å; I1930-I1932 HydrophobicContact CG2-CG1 3.81Å; I1932-Q1959 CarbonylContact O-C 3.57Å; I1932-Q1959 WeakPolarHBondContact O-CA 3.34Å; I1932-Q1959 VanDerWaalsContact O-CB 3.29Å; I1932-Q1959 WeakPolarHBondContact O-CB 3.39Å; I1932-A1960 HydrophobicContact CB-CB 4.45Å; I1932-A1960 PolarHBondContact N-O 3.32Å; I1932-A1960 PolarHBondContact O-N 3.16Å; I1932-I1962 HydrophobicContact CD1-CD1 4.05Å; I1932-I1990 HydrophobicContact CG2-CD1 4Å; I1932-L1992 HydrophobicContact CD1-CD1 3.25Å; I1932-L1992 HydrophobicContact CD1-CD2 4.03Å; I1932-L1992 HydrophobicContact CD1-CG 4.3Å; I1932-L1992 HydrophobicContact CG1-CD1 4.48Å |
| 1933 | R | 92.8 | Very high | 81.6 | Confident | 21.2 Ų | 21.2 | 43 Ų | 43 | 8% | 0.08 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 127.5 | -177.9 | -61.4 | -178 | 172.4 | 137.5 | 0.7 | 109.3 | E1763 V1893 T1894 W1935 F1956 G1958 Q1959 | E1763-R1933 IonicContact OE2-CZ 3.25Å; E1763-R1933 VanDerWaalsContact OE2-CZ 3.26Å; E1763-R1933 IonicContact OE2-NH1 3.52Å; E1763-R1933 PolarHBondContact OE2-NH1 2.99Å; E1763-R1933 IonicContact OE2-NH2 2.97Å; E1763-R1933 PolarHBondContact OE2-NH2 3.18Å; V1893-R1933 CarbonylContact C-O 3.53Å; V1893-R1933 WeakPolarHBondContact CA-O 3.39Å; T1894-R1933 PolarHBondContact N-O 3.07Å; T1894-R1933 PolarHBondContact O-N 2.99Å; T1894-R1933 PolarHBondContact OG1-O 3.07Å; T1894-R1933 VanDerWaalsContact OG1-O 3.1Å; R1933-W1935 HydrophobicContact CB-CZ2 4.07Å; R1933-W1935 VanDerWaalsContact CB-NE1 3.33Å; R1933-W1935 HydrophobicContact CG-CZ2 4.46Å; R1933-W1935 VanDerWaalsContact O-CD1 3.26Å; R1933-W1935 PolarHBondContact O-NE1 3.14Å; R1933-F1956 HydrophobicContact CB-CE2 4.27Å; R1933-F1956 HydrophobicContact CG-CE2 4.31Å; R1933-G1958 WeakPolarHBondContact CA-O 3.31Å; R1933-Q1959 HydrophobicContact CB-CB 4.48Å; R1933-Q1959 HydrophobicContact CG-CB 3.89Å |
| 1934 | V | 94.3 | Very high | 80.6 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 132.5 | 176.3 | -165.1 | 0 | 0 | 0 | 0 | 107.9 | L1880 P1891 Y1892 V1893 W1915 L1957 G1958 L1977 I1990 | L1880-V1934 HydrophobicContact CD1-CG1 4.21Å; L1880-V1934 HydrophobicContact CD2-CG1 4.34Å; P1891-V1934 HydrophobicContact CB-CG1 4.25Å; Y1892-V1934 WeakPolarHBondContact O-CA 3.31Å; V1893-V1934 HydrophobicContact CG2-CG1 4.44Å; V1893-V1934 HydrophobicContact CG2-CG2 4.3Å; W1915-V1934 HydrophobicContact CH2-CG1 4.46Å; V1934-L1957 HydrophobicContact CB-CB 4.11Å; V1934-L1957 HydrophobicContact CG1-CB 4.03Å; V1934-L1957 HydrophobicContact CG1-CD1 4.08Å; V1934-L1957 PolarHBondContact O-N 3.12Å; V1934-G1958 PolarHBondContact N-O 3.12Å; V1934-G1958 PolarHBondContact O-N 2.87Å; V1934-L1977 HydrophobicContact CG2-CD1 4.08Å; V1934-L1977 HydrophobicContact CG2-CD2 3.87Å; V1934-I1990 HydrophobicContact CG2-CD1 4.1Å |
| 1935 | W | 92.5 | Very high | 79.7 | Confident | 14 Ų | 14 | 48.3 Ų | 48.3 | 5% | 0.053 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 151.9 | -174 | -57.1 | 93.3 | 0 | 0 | 0 | 110 | P1891 Y1892 T1894 R1933 E1952 D1954 D1955 F1956 | P1891-W1935 CarbonylContact C-O 3.5Å; P1891-W1935 VanDerWaalsContact CA-O 3.29Å; P1891-W1935 WeakPolarHBondContact CA-O 3.36Å; Y1892-W1935 HydrophobicContact CD1-CB 3.95Å; Y1892-W1935 HydrophobicContact CD2-CB 4.49Å; Y1892-W1935 HydrophobicContact CE1-CB 3.49Å; Y1892-W1935 VanDerWaalsContact CE1-CB 3.49Å; Y1892-W1935 HydrophobicContact CE1-CG 4.32Å; Y1892-W1935 HydrophobicContact CE2-CB 4.24Å; Y1892-W1935 AromaticContact CE2-CD1 3.8Å; Y1892-W1935 HydrophobicContact CE2-CG 4.35Å; Y1892-W1935 HydrophobicContact CG-CB 4.39Å; Y1892-W1935 VanDerWaalsContact CZ-CB 3.44Å; Y1892-W1935 AromaticContact CZ-CD1 3.9Å; Y1892-W1935 AromaticContact CZ-CG 3.79Å; Y1892-W1935 PolarHBondContact N-O 3.23Å; Y1892-W1935 PolarHBondContact O-N 3.2Å; T1894-W1935 PolarHBondContact OG1-NE1 2.99Å; R1933-W1935 HydrophobicContact CB-CZ2 4.07Å; R1933-W1935 VanDerWaalsContact CB-NE1 3.33Å; R1933-W1935 HydrophobicContact CG-CZ2 4.46Å; R1933-W1935 VanDerWaalsContact O-CD1 3.26Å; R1933-W1935 PolarHBondContact O-NE1 3.14Å; W1935-E1952 HydrophobicContact CH2-CB 4.36Å; W1935-E1952 HydrophobicContact CH2-CG 4.13Å; W1935-E1952 HydrophobicContact CZ3-CB 4.42Å; W1935-E1952 HydrophobicContact CZ3-CG 4.39Å; W1935-D1954 HydrophobicContact CB-CB 4.36Å; W1935-D1954 HydrophobicContact CE3-CB 4.35Å; W1935-D1955 CarbonylContact C-O 3.55Å; W1935-D1955 WeakPolarHBondContact CA-O 3.32Å; W1935-F1956 HydrophobicContact CD2-CD2 4.42Å; W1935-F1956 HydrophobicContact CE3-CB 4.04Å; W1935-F1956 HydrophobicContact CE3-CD2 4.15Å; W1935-F1956 AromaticContact CH2-CD2 3.92Å; W1935-F1956 HydrophobicContact CH2-CD2 3.98Å; W1935-F1956 HydrophobicContact CZ2-CD2 4.27Å; W1935-F1956 HydrophobicContact CZ3-CB 3.88Å; W1935-F1956 AromaticContact CZ3-CD2 3.89Å; W1935-F1956 HydrophobicContact CZ3-CD2 3.92Å; W1935-F1956 HydrophobicContact CZ3-CG 4.4Å |
| 1936 | D | 91.1 | Very high | 79.1 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 122.7 | 173.9 | -159.4 | -4.1 | 0 | 0 | 0 | 109.7 | K1883 S1889 D1890 D1938 D1954 D1955 L1957 | K1883-D1936 WeakPolarHBondContact CB-OD2 3.42Å; S1889-D1936 VanDerWaalsContact CA-OD1 3.3Å; S1889-D1936 WeakPolarHBondContact CA-OD1 3.31Å; S1889-D1936 WeakPolarHBondContact CA-OD2 3.23Å; S1889-D1936 VanDerWaalsContact CB-CG 3.46Å; S1889-D1936 VanDerWaalsContact CB-OD1 3.25Å; S1889-D1936 WeakPolarHBondContact CB-OD1 3.44Å; S1889-D1936 VanDerWaalsContact CB-OD2 3.3Å; S1889-D1936 WeakPolarHBondContact CB-OD2 3.39Å; S1889-D1936 PolarHBondContact OG-OD2 3.25Å; D1890-D1936 WeakPolarHBondContact CA-OD1 3.36Å; D1890-D1936 PolarHBondContact N-OD1 3.15Å; D1936-D1938 VanDerWaalsContact C-N 3.27Å; D1936-D1938 PolarHBondContact O-N 3.44Å; D1936-D1954 WeakPolarHBondContact O-CA 3.25Å; D1936-D1954 VanDerWaalsContact O-CB 3.28Å; D1936-D1954 WeakPolarHBondContact O-CB 3.37Å; D1936-D1955 HydrophobicContact CB-CB 4.01Å; D1936-D1955 WeakPolarHBondContact CB-O 3.42Å; D1936-D1955 PolarHBondContact N-O 3.12Å; D1936-D1955 PolarHBondContact O-N 3.18Å; D1936-D1955 VanDerWaalsContact O-N 3.14Å; D1936-L1957 HydrophobicContact CB-CD1 3.99Å; D1936-L1957 HydrophobicContact CB-CD2 4.21Å; D1936-L1957 HydrophobicContact CB-CG 4Å |
| 1937 | E | 88.6 | Confident | 78.5 | Confident | 48.4 Ų | 48.4 | 51.9 Ų | 51.9 | 23% | 0.226 | 26% | 0.255 | C | S | . | . | trans | -81.8 | 67.7 | -172.1 | -164.8 | 157.3 | -126.8 | 0 | 0 | 113.6 | D1890 Y1892 R1903 T1906 N1939 | D1890-E1937 HydrophobicContact CB-CB 4.5Å; D1890-E1937 PolarHBondContact O-N 3.08Å; D1890-E1937 VanDerWaalsContact O-N 3.09Å; Y1892-E1937 HydrophobicContact CD1-CB 3.97Å; Y1892-E1937 HydrophobicContact CE1-CB 4.11Å; Y1892-E1937 HydrophobicContact CE1-CG 4.38Å; R1903-E1937 IonicContact CZ-OE1 3.14Å; R1903-E1937 VanDerWaalsContact CZ-OE1 3.22Å; R1903-E1937 IonicContact NH1-OE1 3.16Å; R1903-E1937 PolarHBondContact NH1-OE1 3.26Å; R1903-E1937 VanDerWaalsContact NH2-CD 3.27Å; R1903-E1937 IonicContact NH2-OE1 3.23Å; R1903-E1937 PolarHBondContact NH2-OE1 3.31Å; R1903-E1937 IonicContact NH2-OE2 3.02Å; R1903-E1937 PolarHBondContact NH2-OE2 2.99Å; R1903-E1937 VanDerWaalsContact NH2-OE2 3.12Å; T1906-E1937 WeakPolarHBondContact CB-OE2 3.36Å; T1906-E1937 HydrophobicContact CG2-CB 3.82Å; T1906-E1937 WeakPolarHBondContact CG2-OE2 3.42Å; T1906-E1937 PolarHBondContact OG1-OE2 3.18Å; E1937-N1939 PolarHBondContact O-N 3.12Å; E1937-N1939 PolarHBondContact O-ND2 3.32Å; E1937-N1939 VanDerWaalsContact O-ND2 3.09Å | ||
| 1938 | D | 80.7 | Confident | 77.9 | Confident | 29.4 Ų | 29.4 | 59.2 Ų | 59.2 | 16% | 0.157 | 28% | 0.283 | C | S | . | . | trans | -52.9 | 103 | 173.4 | -75.9 | -52.7 | 0 | 0 | 0 | 111.9 | D1936 D1940 A1943 R1946 D1955 | D1936-D1938 VanDerWaalsContact C-N 3.27Å; D1936-D1938 PolarHBondContact O-N 3.44Å; D1938-D1940 VanDerWaalsContact C-N 3.3Å; D1938-D1940 PolarHBondContact O-N 2.92Å; D1938-A1943 HydrophobicContact CB-CB 3.5Å; D1938-A1943 VanDerWaalsContact CB-CB 3.44Å; D1938-A1943 WeakPolarHBondContact O-CB 3.41Å; D1938-R1946 IonicContact OD1-CZ 2.74Å; D1938-R1946 IonicContact OD1-NH1 2.63Å; D1938-R1946 PolarHBondContact OD1-NH1 2.95Å; D1938-R1946 IonicContact OD1-NH2 2.74Å; D1938-R1946 PolarHBondContact OD1-NH2 3.38Å; D1938-R1946 IonicContact OD2-CZ 3.02Å; D1938-R1946 IonicContact OD2-NH1 3.11Å; D1938-R1946 PolarHBondContact OD2-NH1 3.47Å; D1938-R1946 IonicContact OD2-NH2 3.22Å; D1938-R1946 PolarHBondContact OD2-NH2 3.31Å; D1938-D1955 WeakPolarHBondContact OD2-CB 3.32Å; D1938-D1955 VanDerWaalsContact OD2-CG 3.31Å; D1938-D1955 PolarHBondContact OD2-N 3.23Å; D1938-D1955 VanDerWaalsContact OD2-N 3.08Å | ||
| 1939 | N | 69.5 | Low | 76.6 | Confident | 117.4 Ų | 117.4 | 64.6 Ų | 64.6 | 63% | 0.628 | 31% | 0.311 | S | S | * | . | trans | -88.7 | 7.6 | 173.8 | -92.1 | -75.3 | 0 | 0 | 0 | 113.8 | E1937 K1944 | E1937-N1939 PolarHBondContact O-N 3.12Å; E1937-N1939 PolarHBondContact O-ND2 3.32Å; E1937-N1939 VanDerWaalsContact O-ND2 3.09Å; N1939-K1944 WeakPolarHBondContact O-CE 3.38Å; N1939-K1944 PolarHBondContact O-NZ 3.29Å | ||
| 1940 | D | 68.9 | Low | 75.3 | Confident | 60.8 Ų | 60.8 | 66.6 Ų | 66.6 | 33% | 0.325 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -81.5 | 177.8 | -168.8 | 98.4 | -34 | 0 | 0 | 0 | 114.3 | D1938 R1942 A1943 K1944 | D1938-D1940 VanDerWaalsContact C-N 3.3Å; D1938-D1940 PolarHBondContact O-N 2.92Å; D1940-R1942 VanDerWaalsContact C-N 3.29Å; D1940-R1942 VanDerWaalsContact CG-N 3.3Å; D1940-R1942 PolarHBondContact O-N 3.23Å; D1940-R1942 VanDerWaalsContact O-N 3.17Å; D1940-R1942 VanDerWaalsContact OD1-CA 3.28Å; D1940-R1942 WeakPolarHBondContact OD1-CA 3.39Å; D1940-R1942 VanDerWaalsContact OD1-CB 3.25Å; D1940-R1942 WeakPolarHBondContact OD1-CB 3.34Å; D1940-R1942 PolarHBondContact OD1-N 3.02Å; D1940-R1942 VanDerWaalsContact OD2-CB 3.26Å; D1940-R1942 WeakPolarHBondContact OD2-CB 3.41Å; D1940-R1942 PolarHBondContact OD2-N 3.23Å; D1940-R1942 VanDerWaalsContact OD2-N 3.15Å; D1940-A1943 PolarHBondContact O-N 3.13Å; D1940-A1943 PolarHBondContact OD1-N 3.17Å; D1940-K1944 WeakPolarHBondContact O-CD 3.34Å; D1940-K1944 VanDerWaalsContact O-CG 3.3Å; D1940-K1944 WeakPolarHBondContact O-CG 3.35Å; D1940-K1944 PolarHBondContact O-N 3.17Å; D1940-K1944 VanDerWaalsContact O-N 3.16Å |
| 1941 | L | 63.9 | Low | 73.7 | Confident | 148.4 Ų | 148.4 | 72.8 Ų | 72.8 | 78% | 0.777 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -66.8 | -28.1 | 176.7 | -80 | 160.9 | 0 | 0 | 0 | 112.9 | K1944 L1945 | L1941-K1944 PolarHBondContact O-N 2.88Å; L1941-L1945 WeakPolarHBondContact O-CB 3.33Å; L1941-L1945 PolarHBondContact O-N 3.13Å; L1941-L1945 VanDerWaalsContact O-N 3.08Å |
| 1942 | R | 68 | Low | 72.3 | Confident | 163 Ų | 163 | 75.5 Ų | 75.5 | 62% | 0.615 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -72.8 | -41 | 179.2 | -173.7 | 179.9 | 167.7 | 165.6 | -5.4 | 110.9 | D1940 K1944 L1945 R1946 | D1940-R1942 VanDerWaalsContact C-N 3.29Å; D1940-R1942 VanDerWaalsContact CG-N 3.3Å; D1940-R1942 PolarHBondContact O-N 3.23Å; D1940-R1942 VanDerWaalsContact O-N 3.17Å; D1940-R1942 VanDerWaalsContact OD1-CA 3.28Å; D1940-R1942 WeakPolarHBondContact OD1-CA 3.39Å; D1940-R1942 VanDerWaalsContact OD1-CB 3.25Å; D1940-R1942 WeakPolarHBondContact OD1-CB 3.34Å; D1940-R1942 PolarHBondContact OD1-N 3.02Å; D1940-R1942 VanDerWaalsContact OD2-CB 3.26Å; D1940-R1942 WeakPolarHBondContact OD2-CB 3.41Å; D1940-R1942 PolarHBondContact OD2-N 3.23Å; D1940-R1942 VanDerWaalsContact OD2-N 3.15Å; R1942-K1944 PolarHBondContact O-N 3.09Å; R1942-L1945 CarbonylContact O-C 3.56Å; R1942-L1945 WeakPolarHBondContact O-CA 3.28Å; R1942-L1945 WeakPolarHBondContact O-CB 3.46Å; R1942-L1945 PolarHBondContact O-N 2.91Å; R1942-R1946 VanDerWaalsContact NE-NH2 3.1Å; R1942-R1946 WeakPolarHBondContact O-CB 3.39Å; R1942-R1946 VanDerWaalsContact O-CG 3.29Å; R1942-R1946 WeakPolarHBondContact O-CG 3.48Å; R1942-R1946 PolarHBondContact O-N 3.13Å |
| 1943 | A | 67.2 | Low | 71 | Confident | 3.8 Ų | 3.8 | 77.1 Ų | 77.1 | 3% | 0.031 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1938 D1940 L1945 R1946 S1947 S1953 | D1938-A1943 HydrophobicContact CB-CB 3.5Å; D1938-A1943 VanDerWaalsContact CB-CB 3.44Å; D1938-A1943 WeakPolarHBondContact O-CB 3.41Å; D1940-A1943 PolarHBondContact O-N 3.13Å; D1940-A1943 PolarHBondContact OD1-N 3.17Å; A1943-L1945 VanDerWaalsContact C-N 3.28Å; A1943-L1945 PolarHBondContact O-N 3.2Å; A1943-R1946 PolarHBondContact O-N 3.11Å; A1943-S1947 WeakPolarHBondContact O-CB 3.36Å; A1943-S1947 PolarHBondContact O-N 3.2Å; A1943-S1947 PolarHBondContact O-OG 3.17Å; A1943-S1953 WeakPolarHBondContact CB-O 3.4Å; A1943-S1953 WeakPolarHBondContact O-CB 3.33Å |
| 1944 | K | 65.5 | Low | 70.6 | Confident | 124.2 Ų | 124.2 | 77.4 Ų | 77.4 | 54% | 0.54 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.2 | -20.4 | 173.2 | -72.8 | 168.2 | -179.5 | 149.2 | 0 | 113.8 | N1939 D1940 L1941 R1942 S1947 | N1939-K1944 WeakPolarHBondContact O-CE 3.38Å; N1939-K1944 PolarHBondContact O-NZ 3.29Å; D1940-K1944 WeakPolarHBondContact O-CD 3.34Å; D1940-K1944 VanDerWaalsContact O-CG 3.3Å; D1940-K1944 WeakPolarHBondContact O-CG 3.35Å; D1940-K1944 PolarHBondContact O-N 3.17Å; D1940-K1944 VanDerWaalsContact O-N 3.16Å; L1941-K1944 PolarHBondContact O-N 2.88Å; R1942-K1944 PolarHBondContact O-N 3.09Å; K1944-S1947 WeakPolarHBondContact CA-OG 3.29Å; K1944-S1947 PolarHBondContact O-OG 3.19Å |
| 1945 | L | 63.8 | Low | 70.1 | Confident | 124.6 Ų | 124.6 | 79.4 Ų | 79.4 | 65% | 0.652 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -86.4 | -43.5 | 169.7 | -169.1 | 68.6 | 0 | 0 | 0 | 111.5 | L1941 R1942 A1943 S1947 K1948 | L1941-L1945 WeakPolarHBondContact O-CB 3.33Å; L1941-L1945 PolarHBondContact O-N 3.13Å; L1941-L1945 VanDerWaalsContact O-N 3.08Å; R1942-L1945 CarbonylContact O-C 3.56Å; R1942-L1945 WeakPolarHBondContact O-CA 3.28Å; R1942-L1945 WeakPolarHBondContact O-CB 3.46Å; R1942-L1945 PolarHBondContact O-N 2.91Å; A1943-L1945 VanDerWaalsContact C-N 3.28Å; A1943-L1945 PolarHBondContact O-N 3.2Å; L1945-S1947 VanDerWaalsContact C-N 3.32Å; L1945-S1947 PolarHBondContact O-N 3.21Å; L1945-K1948 PolarHBondContact O-N 2.93Å; L1945-K1948 VanDerWaalsContact O-N 3.16Å |
| 1946 | R | 64.7 | Low | 69.9 | Low | 55 Ų | 55 | 79.5 Ų | 79.5 | 21% | 0.208 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -56.9 | -44.9 | 174.8 | -75.2 | 178.5 | -153.4 | 168 | -8.2 | 111.6 | D1938 R1942 A1943 K1948 L1949 T1950 S1953 D1955 | D1938-R1946 IonicContact OD1-CZ 2.74Å; D1938-R1946 IonicContact OD1-NH1 2.63Å; D1938-R1946 PolarHBondContact OD1-NH1 2.95Å; D1938-R1946 IonicContact OD1-NH2 2.74Å; D1938-R1946 PolarHBondContact OD1-NH2 3.38Å; D1938-R1946 IonicContact OD2-CZ 3.02Å; D1938-R1946 IonicContact OD2-NH1 3.11Å; D1938-R1946 PolarHBondContact OD2-NH1 3.47Å; D1938-R1946 IonicContact OD2-NH2 3.22Å; D1938-R1946 PolarHBondContact OD2-NH2 3.31Å; R1942-R1946 VanDerWaalsContact NE-NH2 3.1Å; R1942-R1946 WeakPolarHBondContact O-CB 3.39Å; R1942-R1946 VanDerWaalsContact O-CG 3.29Å; R1942-R1946 WeakPolarHBondContact O-CG 3.48Å; R1942-R1946 PolarHBondContact O-N 3.13Å; A1943-R1946 PolarHBondContact O-N 3.11Å; R1946-K1948 PolarHBondContact O-N 3Å; R1946-L1949 CarbonylContact O-C 3.57Å; R1946-L1949 WeakPolarHBondContact O-CA 3.35Å; R1946-L1949 PolarHBondContact O-N 3.22Å; R1946-T1950 PolarHBondContact O-N 3.13Å; R1946-T1950 PolarHBondContact O-OG1 3.15Å; R1946-T1950 VanDerWaalsContact O-OG1 3.1Å; R1946-S1953 WeakPolarHBondContact CD-O 3.46Å; R1946-S1953 PolarHBondContact NE-O 3.21Å; R1946-S1953 PolarHBondContact NH1-O 3.26Å; R1946-D1955 IonicContact CZ-OD1 3.12Å; R1946-D1955 VanDerWaalsContact CZ-OD1 3.27Å; R1946-D1955 IonicContact CZ-OD2 2.75Å; R1946-D1955 VanDerWaalsContact CZ-OD2 3.27Å; R1946-D1955 VanDerWaalsContact NH1-CG 3.34Å; R1946-D1955 IonicContact NH1-OD1 2.94Å; R1946-D1955 PolarHBondContact NH1-OD1 3.2Å; R1946-D1955 IonicContact NH1-OD2 2.73Å; R1946-D1955 PolarHBondContact NH1-OD2 2.94Å; R1946-D1955 IonicContact NH2-OD1 2.95Å; R1946-D1955 PolarHBondContact NH2-OD1 2.72Å; R1946-D1955 IonicContact NH2-OD2 3.85Å; R1946-D1955 PolarHBondContact NH2-OD2 3.48Å |
| 1947 | S | 62.8 | Low | 69.9 | Low | 65.4 Ų | 65.4 | 79.5 Ų | 79.5 | 46% | 0.457 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -20 | 179.4 | 63.6 | 0 | 0 | 0 | 0 | 114.7 | A1943 K1944 L1945 | A1943-S1947 WeakPolarHBondContact O-CB 3.36Å; A1943-S1947 PolarHBondContact O-N 3.2Å; A1943-S1947 PolarHBondContact O-OG 3.17Å; K1944-S1947 WeakPolarHBondContact CA-OG 3.29Å; K1944-S1947 PolarHBondContact O-OG 3.19Å; L1945-S1947 VanDerWaalsContact C-N 3.32Å; L1945-S1947 PolarHBondContact O-N 3.21Å |
| 1948 | K | 60.8 | Low | 69.9 | Low | 180.8 Ų | 180.8 | 77.2 Ų | 77.2 | 79% | 0.786 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -12.8 | 174.7 | -63.1 | -175.4 | 179.4 | -178.8 | 0 | 114 | L1945 R1946 | L1945-K1948 PolarHBondContact O-N 2.93Å; L1945-K1948 VanDerWaalsContact O-N 3.16Å; R1946-K1948 PolarHBondContact O-N 3Å |
| 1949 | L | 55.4 | Low | 70.4 | Confident | 157.6 Ų | 157.6 | 76.5 Ų | 76.5 | 83% | 0.825 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.5 | -29.5 | -175 | -147.7 | 73.9 | 0 | 0 | 0 | 113 | R1946 | R1946-L1949 CarbonylContact O-C 3.57Å; R1946-L1949 WeakPolarHBondContact O-CA 3.35Å; R1946-L1949 PolarHBondContact O-N 3.22Å |
| 1950 | T | 55.8 | Low | 71.4 | Confident | 68.6 Ų | 68.6 | 71 Ų | 71 | 42% | 0.421 | 37% | 0.365 | S | S | . | . | trans | -132.2 | 142.4 | -179.9 | 50.4 | 0 | 0 | 0 | 0 | 109.8 | R1946 E1952 | R1946-T1950 PolarHBondContact O-N 3.13Å; R1946-T1950 PolarHBondContact O-OG1 3.15Å; R1946-T1950 VanDerWaalsContact O-OG1 3.1Å; T1950-E1952 PolarHBondContact O-N 3.18Å; T1950-E1952 PolarHBondContact OG1-O 3.07Å | ||
| 1951 | S | 58 | Low | 72.3 | Confident | 128.6 Ų | 128.6 | 70.2 Ų | 70.2 | 90% | 0.899 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -71.2 | 13 | 174.5 | 147.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1952 | E | 61.3 | Low | 73.4 | Confident | 74.2 Ų | 74.2 | 63.4 Ų | 63.4 | 35% | 0.347 | 32% | 0.324 | S | S | . | . | trans | -142.6 | 97.5 | -170.8 | -64.4 | 173.8 | -168 | 0 | 0 | 104.7 | W1935 T1950 R1980 | W1935-E1952 HydrophobicContact CH2-CB 4.36Å; W1935-E1952 HydrophobicContact CH2-CG 4.13Å; W1935-E1952 HydrophobicContact CZ3-CB 4.42Å; W1935-E1952 HydrophobicContact CZ3-CG 4.39Å; T1950-E1952 PolarHBondContact O-N 3.18Å; T1950-E1952 PolarHBondContact OG1-O 3.07Å; E1952-R1980 VanDerWaalsContact CD-NH1 3.29Å; E1952-R1980 IonicContact OE1-CZ 3.32Å; E1952-R1980 IonicContact OE1-NH1 3.28Å; E1952-R1980 PolarHBondContact OE1-NH1 3.21Å; E1952-R1980 IonicContact OE1-NH2 3.33Å; E1952-R1980 PolarHBondContact OE1-NH2 3.28Å; E1952-R1980 IonicContact OE2-CZ 2.96Å; E1952-R1980 VanDerWaalsContact OE2-CZ 3.23Å; E1952-R1980 IonicContact OE2-NH1 2.69Å; E1952-R1980 PolarHBondContact OE2-NH1 3.04Å; E1952-R1980 IonicContact OE2-NH2 3.07Å; E1952-R1980 PolarHBondContact OE2-NH2 2.95Å | ||
| 1953 | S | 66.1 | Low | 74.2 | Confident | 33 Ų | 33 | 57.3 Ų | 57.3 | 23% | 0.231 | 30% | 0.302 | C | S | . | . | trans | -82 | -35.6 | 175.9 | 33.8 | 0 | 0 | 0 | 0 | 112 | A1943 R1946 | A1943-S1953 WeakPolarHBondContact CB-O 3.4Å; A1943-S1953 WeakPolarHBondContact O-CB 3.33Å; R1946-S1953 WeakPolarHBondContact CD-O 3.46Å; R1946-S1953 PolarHBondContact NE-O 3.21Å; R1946-S1953 PolarHBondContact NH1-O 3.26Å | ||
| 1954 | D | 82.7 | Confident | 75 | Confident | 28.2 Ų | 28.2 | 57.3 Ų | 57.3 | 15% | 0.151 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -87.8 | 141 | -165.5 | -53.3 | 9.5 | 0 | 0 | 0 | 110 | Y1892 W1935 D1936 F1956 | Y1892-D1954 HydrophobicContact CE1-CB 4.39Å; Y1892-D1954 VanDerWaalsContact CE1-OD2 3.29Å; Y1892-D1954 WeakPolarHBondContact CE1-OD2 3.29Å; Y1892-D1954 VanDerWaalsContact CZ-OD2 3.3Å; Y1892-D1954 PolarHBondContact OH-OD2 3.15Å; W1935-D1954 HydrophobicContact CB-CB 4.36Å; W1935-D1954 HydrophobicContact CE3-CB 4.35Å; D1936-D1954 WeakPolarHBondContact O-CA 3.25Å; D1936-D1954 VanDerWaalsContact O-CB 3.28Å; D1936-D1954 WeakPolarHBondContact O-CB 3.37Å; D1954-F1956 PolarHBondContact O-N 3.3Å; D1954-F1956 VanDerWaalsContact O-N 3.07Å |
| 1955 | D | 85.2 | Confident | 75.7 | Confident | 41.2 Ų | 41.2 | 54.2 Ų | 54.2 | 22% | 0.22 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 126.3 | -174.6 | -112.7 | 42.7 | 0 | 0 | 0 | 111.8 | K1883 W1935 D1936 D1938 R1946 L1957 | K1883-D1955 HydrophobicContact CB-CB 4.31Å; K1883-D1955 HydrophobicContact CD-CB 3.85Å; K1883-D1955 WeakPolarHBondContact CD-OD2 3.35Å; K1883-D1955 WeakPolarHBondContact CE-OD2 3.4Å; K1883-D1955 HydrophobicContact CG-CB 4.33Å; K1883-D1955 PolarHBondContact NZ-O 2.9Å; K1883-D1955 IonicContact NZ-OD2 3.09Å; K1883-D1955 PolarHBondContact NZ-OD2 2.96Å; W1935-D1955 CarbonylContact C-O 3.55Å; W1935-D1955 WeakPolarHBondContact CA-O 3.32Å; D1936-D1955 HydrophobicContact CB-CB 4.01Å; D1936-D1955 WeakPolarHBondContact CB-O 3.42Å; D1936-D1955 PolarHBondContact N-O 3.12Å; D1936-D1955 PolarHBondContact O-N 3.18Å; D1936-D1955 VanDerWaalsContact O-N 3.14Å; D1938-D1955 WeakPolarHBondContact OD2-CB 3.32Å; D1938-D1955 VanDerWaalsContact OD2-CG 3.31Å; D1938-D1955 PolarHBondContact OD2-N 3.23Å; D1938-D1955 VanDerWaalsContact OD2-N 3.08Å; R1946-D1955 IonicContact CZ-OD1 3.12Å; R1946-D1955 VanDerWaalsContact CZ-OD1 3.27Å; R1946-D1955 IonicContact CZ-OD2 2.75Å; R1946-D1955 VanDerWaalsContact CZ-OD2 3.27Å; R1946-D1955 VanDerWaalsContact NH1-CG 3.34Å; R1946-D1955 IonicContact NH1-OD1 2.94Å; R1946-D1955 PolarHBondContact NH1-OD1 3.2Å; R1946-D1955 IonicContact NH1-OD2 2.73Å; R1946-D1955 PolarHBondContact NH1-OD2 2.94Å; R1946-D1955 IonicContact NH2-OD1 2.95Å; R1946-D1955 PolarHBondContact NH2-OD1 2.72Å; R1946-D1955 IonicContact NH2-OD2 3.85Å; R1946-D1955 PolarHBondContact NH2-OD2 3.48Å; D1955-L1957 PolarHBondContact O-N 3Å; D1955-L1957 VanDerWaalsContact O-N 3.14Å |
| 1956 | F | 88 | Confident | 76.6 | Confident | 16.2 Ų | 16.2 | 49.3 Ų | 49.3 | 7% | 0.071 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 115.3 | -173.5 | 176.5 | -94.5 | 0 | 0 | 0 | 112.5 | K1883 R1933 W1935 D1954 G1958 Q1959 R1980 V1986 | K1883-F1956 WeakPolarHBondContact CE-O 3.46Å; K1883-F1956 PolarHBondContact NZ-O 3.09Å; R1933-F1956 HydrophobicContact CB-CE2 4.27Å; R1933-F1956 HydrophobicContact CG-CE2 4.31Å; W1935-F1956 HydrophobicContact CD2-CD2 4.42Å; W1935-F1956 HydrophobicContact CE3-CB 4.04Å; W1935-F1956 HydrophobicContact CE3-CD2 4.15Å; W1935-F1956 AromaticContact CH2-CD2 3.92Å; W1935-F1956 HydrophobicContact CH2-CD2 3.98Å; W1935-F1956 HydrophobicContact CZ2-CD2 4.27Å; W1935-F1956 HydrophobicContact CZ3-CB 3.88Å; W1935-F1956 AromaticContact CZ3-CD2 3.89Å; W1935-F1956 HydrophobicContact CZ3-CD2 3.92Å; W1935-F1956 HydrophobicContact CZ3-CG 4.4Å; D1954-F1956 PolarHBondContact O-N 3.3Å; D1954-F1956 VanDerWaalsContact O-N 3.07Å; F1956-G1958 VanDerWaalsContact CE2-O 3.28Å; F1956-G1958 WeakPolarHBondContact CE2-O 3.35Å; F1956-G1958 VanDerWaalsContact CZ-O 3.29Å; F1956-G1958 WeakPolarHBondContact CZ-O 3.32Å; F1956-Q1959 HydrophobicContact CE2-CB 4.05Å; F1956-Q1959 HydrophobicContact CZ-CB 3.75Å; F1956-Q1959 HydrophobicContact CZ-CG 3.95Å; F1956-R1980 HydrophobicContact CD1-CB 4.36Å; F1956-R1980 VanDerWaalsContact CD2-NE 3.32Å; F1956-R1980 HydrophobicContact CE1-CB 3.62Å; F1956-R1980 HydrophobicContact CE2-CB 4.01Å; F1956-R1980 HydrophobicContact CE2-CG 4.48Å; F1956-R1980 HydrophobicContact CZ-CB 3.4Å; F1956-R1980 VanDerWaalsContact CZ-CB 3.43Å; F1956-R1980 HydrophobicContact CZ-CG 4.4Å; F1956-V1986 HydrophobicContact CD1-CG2 4.29Å; F1956-V1986 HydrophobicContact CE1-CG2 3.88Å |
| 1957 | L | 90.3 | Very high | 77.5 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -27.9 | -177.8 | -65.8 | 174.9 | 0 | 0 | 0 | 113.4 | L1880 I1881 K1883 P1891 V1934 D1936 D1955 V1986 | L1880-L1957 HydrophobicContact CD1-CD1 4.42Å; I1881-L1957 HydrophobicContact CG2-CD2 3.98Å; I1881-L1957 VanDerWaalsContact O-CD2 3.23Å; I1881-L1957 WeakPolarHBondContact O-CD2 3.37Å; K1883-L1957 HydrophobicContact CB-CD2 4.31Å; K1883-L1957 HydrophobicContact CD-CD2 3.68Å; K1883-L1957 HydrophobicContact CG-CD2 3.67Å; K1883-L1957 VanDerWaalsContact CG-CD2 3.44Å; P1891-L1957 HydrophobicContact CB-CD1 3.81Å; V1934-L1957 HydrophobicContact CB-CB 4.11Å; V1934-L1957 HydrophobicContact CG1-CB 4.03Å; V1934-L1957 HydrophobicContact CG1-CD1 4.08Å; V1934-L1957 PolarHBondContact O-N 3.12Å; D1936-L1957 HydrophobicContact CB-CD1 3.99Å; D1936-L1957 HydrophobicContact CB-CD2 4.21Å; D1936-L1957 HydrophobicContact CB-CG 4Å; D1955-L1957 PolarHBondContact O-N 3Å; D1955-L1957 VanDerWaalsContact O-N 3.14Å; L1957-V1986 WeakPolarHBondContact O-CG1 3.4Å; L1957-V1986 WeakPolarHBondContact O-CG2 3.35Å |
| 1958 | G | 90.1 | Very high | 78.4 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164 | 171.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | R1933 V1934 F1956 | R1933-G1958 WeakPolarHBondContact CA-O 3.31Å; V1934-G1958 PolarHBondContact N-O 3.12Å; V1934-G1958 PolarHBondContact O-N 2.87Å; F1956-G1958 VanDerWaalsContact CE2-O 3.28Å; F1956-G1958 WeakPolarHBondContact CE2-O 3.35Å; F1956-G1958 VanDerWaalsContact CZ-O 3.29Å; F1956-G1958 WeakPolarHBondContact CZ-O 3.32Å |
| 1959 | Q | 91.1 | Very high | 79.5 | Confident | 14.6 Ų | 14.6 | 35.5 Ų | 35.5 | 7% | 0.068 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 155 | 172 | 69.3 | -179.3 | 13.6 | 0 | 0 | 113.1 | I1932 R1933 F1956 I1961 E1978 R1980 | I1932-Q1959 CarbonylContact O-C 3.57Å; I1932-Q1959 WeakPolarHBondContact O-CA 3.34Å; I1932-Q1959 VanDerWaalsContact O-CB 3.29Å; I1932-Q1959 WeakPolarHBondContact O-CB 3.39Å; R1933-Q1959 HydrophobicContact CB-CB 4.48Å; R1933-Q1959 HydrophobicContact CG-CB 3.89Å; F1956-Q1959 HydrophobicContact CE2-CB 4.05Å; F1956-Q1959 HydrophobicContact CZ-CB 3.75Å; F1956-Q1959 HydrophobicContact CZ-CG 3.95Å; Q1959-I1961 HydrophobicContact CG-CG1 4.45Å; Q1959-E1978 HydrophobicContact CG-CB 4.2Å; Q1959-E1978 PolarHBondContact N-O 3.12Å; Q1959-E1978 VanDerWaalsContact N-O 3.14Å; Q1959-E1978 PolarHBondContact O-N 2.93Å; Q1959-R1980 HydrophobicContact CG-CB 4.43Å |
| 1960 | A | 89.7 | Confident | 81 | Confident | 3.6 Ų | 3.6 | 33.7 Ų | 33.7 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 128 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | I1932 Y1975 I1990 | I1932-A1960 HydrophobicContact CB-CB 4.45Å; I1932-A1960 PolarHBondContact N-O 3.32Å; I1932-A1960 PolarHBondContact O-N 3.16Å; A1960-Y1975 HydrophobicContact CB-CG 4.35Å; A1960-I1990 HydrophobicContact CB-CG2 4.31Å |
| 1961 | I | 88.1 | Confident | 82.2 | Confident | 44.2 Ų | 44.2 | 30.7 Ų | 30.7 | 23% | 0.227 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 111.6 | 175.4 | -60.5 | -178 | 0 | 0 | 0 | 108.1 | R1929 I1930 K1931 Q1959 | R1929-I1961 HydrophobicContact CB-CG2 4.11Å; I1930-I1961 WeakPolarHBondContact O-CA 3.36Å; K1931-I1961 HydrophobicContact CG-CG1 4.4Å; K1931-I1961 HydrophobicContact CG-CG2 4.4Å; Q1959-I1961 HydrophobicContact CG-CG1 4.45Å |
| 1962 | I | 87.3 | Confident | 83.6 | Confident | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 125.2 | -174.1 | -46.7 | 168.5 | 0 | 0 | 0 | 108.3 | R1929 I1930 I1932 L1967 Y1975 L1992 I1994 | R1929-I1962 CarbonylContact C-O 3.52Å; R1929-I1962 VanDerWaalsContact CA-O 3.3Å; R1929-I1962 WeakPolarHBondContact CA-O 3.27Å; I1930-I1962 HydrophobicContact CB-CB 4.25Å; I1930-I1962 PolarHBondContact N-O 2.89Å; I1930-I1962 PolarHBondContact O-N 3.05Å; I1932-I1962 HydrophobicContact CD1-CD1 4.05Å; I1962-L1967 HydrophobicContact CG2-CD1 4.15Å; I1962-L1967 HydrophobicContact CG2-CD2 3.92Å; I1962-L1967 HydrophobicContact CG2-CG 4.11Å; I1962-Y1975 HydrophobicContact CB-CE1 4.46Å; I1962-Y1975 HydrophobicContact CD1-CD1 4.17Å; I1962-Y1975 HydrophobicContact CD1-CD2 4.09Å; I1962-Y1975 HydrophobicContact CD1-CE1 3.79Å; I1962-Y1975 HydrophobicContact CD1-CE2 3.66Å; I1962-Y1975 HydrophobicContact CD1-CG 4.31Å; I1962-Y1975 VanDerWaalsContact CD1-CZ 3.46Å; I1962-Y1975 HydrophobicContact CG1-CD1 4.02Å; I1962-Y1975 HydrophobicContact CG1-CE1 3.69Å; I1962-Y1975 HydrophobicContact CG1-CE2 4.44Å; I1962-Y1975 HydrophobicContact CG1-CG 4.49Å; I1962-Y1975 HydrophobicContact CG2-CE1 4.16Å; I1962-L1992 HydrophobicContact CD1-CD1 3.62Å; I1962-I1994 HydrophobicContact CD1-CD1 3.75Å |
| 1963 | E | 83.5 | Confident | 84.6 | Confident | 35.2 Ų | 35.2 | 24.4 Ų | 24.4 | 16% | 0.164 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 132.7 | 179.2 | -54.9 | -170.1 | 123.8 | 0 | 0 | 110 | N1792 R1929 R1965 T1966 | N1792-E1963 WeakPolarHBondContact CB-OE1 3.36Å; N1792-E1963 PolarHBondContact ND2-OE1 3.42Å; N1792-E1963 PolarHBondContact ND2-OE2 3.24Å; R1929-E1963 HydrophobicContact CG-CB 4.41Å; R1929-E1963 HydrophobicContact CG-CG 4.23Å; E1963-R1965 HydrophobicContact CB-CG 4.12Å; E1963-R1965 PolarHBondContact O-N 3.13Å; E1963-R1965 VanDerWaalsContact O-N 3.13Å; E1963-R1965 IonicContact OE1-CZ 2.83Å; E1963-R1965 IonicContact OE1-NH1 3.52Å; E1963-R1965 PolarHBondContact OE1-NH1 2.9Å; E1963-R1965 IonicContact OE1-NH2 3.33Å; E1963-R1965 PolarHBondContact OE1-NH2 3.04Å; E1963-R1965 VanDerWaalsContact OE2-CD 3.27Å; E1963-R1965 WeakPolarHBondContact OE2-CD 3.43Å; E1963-R1965 IonicContact OE2-CZ 3.04Å; E1963-R1965 VanDerWaalsContact OE2-CZ 3.26Å; E1963-R1965 IonicContact OE2-NE 2.72Å; E1963-R1965 PolarHBondContact OE2-NE 2.85Å; E1963-R1965 IonicContact OE2-NH1 2.87Å; E1963-R1965 PolarHBondContact OE2-NH1 3.03Å; E1963-R1965 VanDerWaalsContact OE2-NH1 3.16Å; E1963-R1965 IonicContact OE2-NH2 3.31Å; E1963-R1965 PolarHBondContact OE2-NH2 3.2Å; E1963-T1966 HydrophobicContact CB-CG2 4.37Å; E1963-T1966 PolarHBondContact O-N 3.11Å; E1963-T1966 PolarHBondContact O-OG1 3.28Å |
| 1964 | L | 84.4 | Confident | 85.6 | Confident | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -62.5 | -24.4 | -173 | -91.3 | 87.7 | 0 | 0 | 0 | 113.6 | W1866 I1870 V1897 C1923 A1926 D1928 I1930 T1966 L1967 | W1866-L1964 HydrophobicContact CH2-CB 4.42Å; W1866-L1964 HydrophobicContact CH2-CD2 3.99Å; W1866-L1964 HydrophobicContact CZ3-CD2 4.43Å; I1870-L1964 HydrophobicContact CD1-CD1 4.14Å; I1870-L1964 HydrophobicContact CD1-CD2 3.48Å; I1870-L1964 VanDerWaalsContact CD1-CD2 3.49Å; I1870-L1964 HydrophobicContact CD1-CG 4.09Å; I1870-L1964 HydrophobicContact CG1-CD2 4.1Å; V1897-L1964 HydrophobicContact CG1-CD1 4.4Å; V1897-L1964 HydrophobicContact CG1-CD2 4.44Å; C1923-L1964 HydrophobicContact CB-CD1 4.23Å; C1923-L1964 HydrophobicContact CB-CD2 3.76Å; C1923-L1964 VanDerWaalsContact SG-CD1 3.6Å; C1923-L1964 WeakPolarHBondContact SG-CD2 3.37Å; A1926-L1964 WeakPolarHBondContact O-CB 3.28Å; D1928-L1964 HydrophobicContact CB-CD1 4.12Å; D1928-L1964 HydrophobicContact CB-CD2 4.19Å; D1928-L1964 WeakPolarHBondContact O-CD1 3.38Å; D1928-L1964 PolarHBondContact O-N 3.28Å; D1928-L1964 VanDerWaalsContact O-N 3.14Å; I1930-L1964 HydrophobicContact CD1-CD1 4.45Å; I1930-L1964 HydrophobicContact CD1-CD2 4.25Å; I1930-L1964 HydrophobicContact CG1-CD1 3.55Å; I1930-L1964 HydrophobicContact CG1-CD2 4.37Å; I1930-L1964 HydrophobicContact CG1-CG 4.34Å; L1964-T1966 VanDerWaalsContact C-N 3.25Å; L1964-T1966 PolarHBondContact O-N 2.95Å; L1964-T1966 VanDerWaalsContact O-N 3.14Å; L1964-L1967 HydrophobicContact CD2-CD1 3.93Å; L1964-L1967 HydrophobicContact CG-CD1 4.42Å; L1964-L1967 WeakPolarHBondContact O-CB 3.35Å; L1964-L1967 PolarHBondContact O-N 3.29Å; L1964-L1967 VanDerWaalsContact O-N 3.14Å |
| 1965 | R | 79.8 | Confident | 85.8 | Confident | 60 Ų | 60 | 25 Ų | 25 | 23% | 0.226 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -65.2 | -18.7 | 173.1 | 65.5 | 173 | -168.9 | -116.1 | -4.1 | 115.1 | I1740 N1792 A1926 E1963 L1967 Y2007 R2063 | I1740-R1965 VanDerWaalsContact CD1-NH2 3.34Å; N1792-R1965 VanDerWaalsContact CG-NH2 3.29Å; N1792-R1965 PolarHBondContact ND2-NH2 2.8Å; N1792-R1965 PolarHBondContact O-NH1 3.12Å; N1792-R1965 PolarHBondContact O-NH2 2.64Å; A1926-R1965 PolarHBondContact O-N 2.97Å; E1963-R1965 HydrophobicContact CB-CG 4.12Å; E1963-R1965 PolarHBondContact O-N 3.13Å; E1963-R1965 VanDerWaalsContact O-N 3.13Å; E1963-R1965 IonicContact OE1-CZ 2.83Å; E1963-R1965 IonicContact OE1-NH1 3.52Å; E1963-R1965 PolarHBondContact OE1-NH1 2.9Å; E1963-R1965 IonicContact OE1-NH2 3.33Å; E1963-R1965 PolarHBondContact OE1-NH2 3.04Å; E1963-R1965 VanDerWaalsContact OE2-CD 3.27Å; E1963-R1965 WeakPolarHBondContact OE2-CD 3.43Å; E1963-R1965 IonicContact OE2-CZ 3.04Å; E1963-R1965 VanDerWaalsContact OE2-CZ 3.26Å; E1963-R1965 IonicContact OE2-NE 2.72Å; E1963-R1965 PolarHBondContact OE2-NE 2.85Å; E1963-R1965 IonicContact OE2-NH1 2.87Å; E1963-R1965 PolarHBondContact OE2-NH1 3.03Å; E1963-R1965 VanDerWaalsContact OE2-NH1 3.16Å; E1963-R1965 IonicContact OE2-NH2 3.31Å; E1963-R1965 PolarHBondContact OE2-NH2 3.2Å; R1965-L1967 VanDerWaalsContact C-N 3.3Å; R1965-Y2007 VanDerWaalsContact O-CE2 3.31Å; R1965-Y2007 WeakPolarHBondContact O-CE2 3.4Å; R1965-R2063 PolarHBondContact NE-O 3.06Å |
| 1966 | T | 82.7 | Confident | 85.8 | Confident | 20.4 Ų | 20.4 | 28.4 Ų | 28.4 | 13% | 0.125 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -95.2 | 14.6 | 178.6 | 70.5 | 0 | 0 | 0 | 0 | 112.4 | E1963 L1964 Y2007 Y2064 | E1963-T1966 HydrophobicContact CB-CG2 4.37Å; E1963-T1966 PolarHBondContact O-N 3.11Å; E1963-T1966 PolarHBondContact O-OG1 3.28Å; L1964-T1966 VanDerWaalsContact C-N 3.25Å; L1964-T1966 PolarHBondContact O-N 2.95Å; L1964-T1966 VanDerWaalsContact O-N 3.14Å; T1966-Y2007 WeakPolarHBondContact O-CD2 3.47Å; T1966-Y2064 WeakPolarHBondContact CA-O 3.3Å; T1966-Y2064 VanDerWaalsContact CB-O 3.24Å; T1966-Y2064 WeakPolarHBondContact CB-O 3.36Å |
| 1967 | L | 84.2 | Confident | 85.9 | Confident | 1.2 Ų | 1.2 | 28.5 Ų | 28.5 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | trans | -118.1 | 135.1 | -178.1 | -61.4 | 172.5 | 0 | 0 | 0 | 111.8 | I1930 I1962 L1964 R1965 M1971 I1994 V1996 Y2007 | I1930-L1967 HydrophobicContact CD1-CD1 3.45Å; I1930-L1967 VanDerWaalsContact CD1-CD1 3.47Å; I1930-L1967 HydrophobicContact CG1-CD1 4.37Å; I1962-L1967 HydrophobicContact CG2-CD1 4.15Å; I1962-L1967 HydrophobicContact CG2-CD2 3.92Å; I1962-L1967 HydrophobicContact CG2-CG 4.11Å; L1964-L1967 HydrophobicContact CD2-CD1 3.93Å; L1964-L1967 HydrophobicContact CG-CD1 4.42Å; L1964-L1967 WeakPolarHBondContact O-CB 3.35Å; L1964-L1967 PolarHBondContact O-N 3.29Å; L1964-L1967 VanDerWaalsContact O-N 3.14Å; R1965-L1967 VanDerWaalsContact C-N 3.3Å; L1967-M1971 VanDerWaalsContact CA-SD 3.53Å; L1967-M1971 HydrophobicContact CB-SD 4.3Å; L1967-M1971 HydrophobicContact CD2-CE 4.02Å; L1967-M1971 HydrophobicContact CD2-SD 3.66Å; L1967-M1971 VanDerWaalsContact CD2-SD 3.59Å; L1967-M1971 HydrophobicContact CG-SD 4.48Å; L1967-I1994 HydrophobicContact CD1-CG2 4.26Å; L1967-I1994 HydrophobicContact CD2-CD1 4.13Å; L1967-I1994 HydrophobicContact CD2-CG2 4.36Å; L1967-V1996 HydrophobicContact CB-CB 4.45Å; L1967-V1996 HydrophobicContact CB-CG2 3.77Å; L1967-V1996 HydrophobicContact CD1-CG2 4.23Å; L1967-V1996 HydrophobicContact CG-CG2 4.41Å; L1967-Y2007 VanDerWaalsContact C-CE2 3.47Å; L1967-Y2007 VanDerWaalsContact O-CE2 3.27Å; L1967-Y2007 WeakPolarHBondContact O-CE2 3.41Å | ||
| 1968 | S | 82.4 | Confident | 85.6 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.007 | 16% | 0.164 | C | C | . | . | trans | -157.4 | 134 | 178.3 | -176 | 0 | 0 | 0 | 0 | 109.9 | M1971 V2004 A2005 P2006 Y2007 Q2010 | S1968-M1971 PolarHBondContact N-SD 3.03Å; S1968-M1971 VanDerWaalsContact N-SD 3.38Å; S1968-M1971 VanDerWaalsContact O-CG 3.24Å; S1968-M1971 WeakPolarHBondContact O-CG 3.4Å; S1968-V2004 VanDerWaalsContact OG-CG1 3.31Å; S1968-V2004 WeakPolarHBondContact OG-CG1 3.49Å; S1968-V2004 VanDerWaalsContact OG-CG2 3.25Å; S1968-V2004 WeakPolarHBondContact OG-CG2 3.17Å; S1968-A2005 PolarHBondContact OG-O 3.3Å; S1968-P2006 WeakPolarHBondContact O-CA 3.35Å; S1968-Y2007 VanDerWaalsContact CB-CE2 3.47Å; S1968-Q2010 PolarHBondContact OG-NE2 3.26Å | ||
| 1969 | G | 83.8 | Confident | 85.3 | Confident | 10.2 Ų | 10.2 | 39.5 Ų | 39.5 | 11% | 0.105 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 63.4 | -144.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1995 V1996 V2004 | G1969-S1995 CarbonylContact O-C 3.59Å; G1969-S1995 WeakPolarHBondContact O-CA 3.33Å; G1969-V1996 PolarHBondContact N-O 2.96Å; G1969-V1996 PolarHBondContact O-N 3.06Å; G1969-V2004 WeakPolarHBondContact CA-O 3.4Å |
| 1970 | E | 85.4 | Confident | 84.6 | Confident | 118.4 Ų | 118.4 | 41.8 Ų | 41.8 | 55% | 0.553 | 20% | 0.198 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 111.7 | 178.3 | -57.5 | -155.8 | 133.5 | 0 | 0 | 111.6 | F1993 S1995 P2006 | E1970-F1993 HydrophobicContact CB-CE2 4.11Å; E1970-F1993 HydrophobicContact CB-CZ 3.99Å; E1970-F1993 HydrophobicContact CG-CZ 4.32Å; E1970-S1995 VanDerWaalsContact OE1-CB 3.3Å; E1970-S1995 WeakPolarHBondContact OE1-CB 3.42Å; E1970-S1995 PolarHBondContact OE1-OG 3.05Å; E1970-P2006 WeakPolarHBondContact O-CG 3.35Å |
| 1971 | M | 82 | Confident | 83.8 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 3% | 0.034 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 112.9 | -174.8 | -66.2 | -177.8 | 61.5 | 0 | 0 | 110.8 | L1967 S1968 V1973 L1992 F1993 I1994 P2006 | L1967-M1971 VanDerWaalsContact CA-SD 3.53Å; L1967-M1971 HydrophobicContact CB-SD 4.3Å; L1967-M1971 HydrophobicContact CD2-CE 4.02Å; L1967-M1971 HydrophobicContact CD2-SD 3.66Å; L1967-M1971 VanDerWaalsContact CD2-SD 3.59Å; L1967-M1971 HydrophobicContact CG-SD 4.48Å; S1968-M1971 PolarHBondContact N-SD 3.03Å; S1968-M1971 VanDerWaalsContact N-SD 3.38Å; S1968-M1971 VanDerWaalsContact O-CG 3.24Å; S1968-M1971 WeakPolarHBondContact O-CG 3.4Å; M1971-V1973 HydrophobicContact CB-CG2 3.98Å; M1971-V1973 HydrophobicContact CE-CG2 3.99Å; M1971-V1973 PolarHBondContact O-N 2.81Å; M1971-L1992 VanDerWaalsContact O-O 3.12Å; M1971-F1993 CarbonylContact O-C 3.46Å; M1971-F1993 VanDerWaalsContact O-CA 3.29Å; M1971-F1993 WeakPolarHBondContact O-CA 3.37Å; M1971-I1994 PolarHBondContact N-O 3.36Å; M1971-I1994 PolarHBondContact O-N 2.92Å; M1971-P2006 HydrophobicContact CG-CB 3.98Å; M1971-P2006 HydrophobicContact CG-CG 4.27Å |
| 1972 | D | 87 | Confident | 83 | Confident | 62.8 Ų | 62.8 | 49.7 Ų | 49.7 | 34% | 0.336 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 90.6 | 169.6 | -163.1 | 8 | 0 | 0 | 0 | 109.1 | K1875 R1991 L1992 F1993 | K1875-D1972 VanDerWaalsContact NZ-CG 3.27Å; K1875-D1972 IonicContact NZ-OD1 3.24Å; K1875-D1972 PolarHBondContact NZ-OD1 3.32Å; K1875-D1972 IonicContact NZ-OD2 3.2Å; K1875-D1972 PolarHBondContact NZ-OD2 3.25Å; D1972-R1991 IonicContact OD1-CZ 3.07Å; D1972-R1991 IonicContact OD1-NE 3.22Å; D1972-R1991 PolarHBondContact OD1-NE 3.15Å; D1972-R1991 IonicContact OD1-NH2 3.09Å; D1972-R1991 IonicContact OD2-CZ 3.22Å; D1972-R1991 IonicContact OD2-NE 3.18Å; D1972-R1991 IonicContact OD2-NH2 3.25Å; D1972-R1991 PolarHBondContact OD2-NH2 3.18Å; D1972-L1992 WeakPolarHBondContact CA-O 3.46Å; D1972-F1993 HydrophobicContact CB-CD2 3.9Å |
| 1973 | V | 83.5 | Confident | 82.3 | Confident | 7.4 Ų | 7.4 | 59.1 Ų | 59.1 | 5% | 0.045 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 139.2 | -164.6 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | M1971 Y1975 L1992 N2122 | M1971-V1973 HydrophobicContact CB-CG2 3.98Å; M1971-V1973 HydrophobicContact CE-CG2 3.99Å; M1971-V1973 PolarHBondContact O-N 2.81Å; V1973-Y1975 HydrophobicContact CB-CD2 4.37Å; V1973-Y1975 HydrophobicContact CB-CE2 3.65Å; V1973-Y1975 HydrophobicContact CG1-CD1 4.44Å; V1973-Y1975 HydrophobicContact CG1-CD2 3.86Å; V1973-Y1975 HydrophobicContact CG1-CE1 4.05Å; V1973-Y1975 HydrophobicContact CG1-CE2 3.35Å; V1973-Y1975 VanDerWaalsContact CG1-CE2 3.45Å; V1973-Y1975 HydrophobicContact CG1-CG 4.44Å; V1973-Y1975 VanDerWaalsContact CG1-CZ 3.47Å; V1973-L1992 PolarHBondContact N-O 3.11Å; V1973-L1992 PolarHBondContact O-N 3.06Å; V1973-N2122 WeakPolarHBondContact CA-OD1 3.33Å; V1973-N2122 WeakPolarHBondContact CG1-OD1 3.44Å |
| 1974 | W | 86.3 | Confident | 82.1 | Confident | 33 Ų | 33 | 58 Ų | 58 | 13% | 0.125 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 132 | 168.3 | -73.3 | 94.9 | 0 | 0 | 0 | 110.3 | Q1878 A1989 I1990 R1991 A2120 N2122 | Q1878-W1974 HydrophobicContact CB-CH2 4.12Å; Q1878-W1974 HydrophobicContact CB-CZ3 4.04Å; W1974-A1989 HydrophobicContact CE3-CB 3.94Å; W1974-A1989 HydrophobicContact CZ3-CB 4.42Å; W1974-I1990 WeakPolarHBondContact CA-O 3.26Å; W1974-R1991 HydrophobicContact CD2-CB 3.71Å; W1974-R1991 HydrophobicContact CD2-CG 4.07Å; W1974-R1991 HydrophobicContact CE3-CB 3.72Å; W1974-R1991 HydrophobicContact CG-CB 4.42Å; W1974-R1991 HydrophobicContact CG-CG 4.41Å; W1974-R1991 HydrophobicContact CH2-CB 3.95Å; W1974-R1991 HydrophobicContact CZ2-CB 3.94Å; W1974-R1991 HydrophobicContact CZ2-CG 4.25Å; W1974-R1991 HydrophobicContact CZ3-CB 3.83Å; W1974-A2120 HydrophobicContact CB-CB 4.05Å; W1974-A2120 VanDerWaalsContact CB-O 3.25Å; W1974-A2120 WeakPolarHBondContact CB-O 3.48Å; W1974-A2120 HydrophobicContact CD2-CB 3.85Å; W1974-A2120 HydrophobicContact CE3-CB 4.22Å; W1974-A2120 HydrophobicContact CG-CB 3.8Å; W1974-N2122 PolarHBondContact N-OD1 3.22Å; W1974-N2122 PolarHBondContact O-ND2 2.92Å |
| 1975 | Y | 86.7 | Confident | 82.1 | Confident | 40.8 Ų | 40.8 | 59.9 Ų | 59.9 | 16% | 0.16 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 122.7 | 175.3 | -65.2 | -92.4 | 0 | 0 | 0 | 109.4 | A1960 I1962 V1973 A1989 I1990 L1992 I1994 | A1960-Y1975 HydrophobicContact CB-CG 4.35Å; I1962-Y1975 HydrophobicContact CB-CE1 4.46Å; I1962-Y1975 HydrophobicContact CD1-CD1 4.17Å; I1962-Y1975 HydrophobicContact CD1-CD2 4.09Å; I1962-Y1975 HydrophobicContact CD1-CE1 3.79Å; I1962-Y1975 HydrophobicContact CD1-CE2 3.66Å; I1962-Y1975 HydrophobicContact CD1-CG 4.31Å; I1962-Y1975 VanDerWaalsContact CD1-CZ 3.46Å; I1962-Y1975 HydrophobicContact CG1-CD1 4.02Å; I1962-Y1975 HydrophobicContact CG1-CE1 3.69Å; I1962-Y1975 HydrophobicContact CG1-CE2 4.44Å; I1962-Y1975 HydrophobicContact CG1-CG 4.49Å; I1962-Y1975 HydrophobicContact CG2-CE1 4.16Å; V1973-Y1975 HydrophobicContact CB-CD2 4.37Å; V1973-Y1975 HydrophobicContact CB-CE2 3.65Å; V1973-Y1975 HydrophobicContact CG1-CD1 4.44Å; V1973-Y1975 HydrophobicContact CG1-CD2 3.86Å; V1973-Y1975 HydrophobicContact CG1-CE1 4.05Å; V1973-Y1975 HydrophobicContact CG1-CE2 3.35Å; V1973-Y1975 VanDerWaalsContact CG1-CE2 3.45Å; V1973-Y1975 HydrophobicContact CG1-CG 4.44Å; V1973-Y1975 VanDerWaalsContact CG1-CZ 3.47Å; Y1975-A1989 CarbonylContact O-C 3.55Å; Y1975-A1989 VanDerWaalsContact O-CA 3.27Å; Y1975-A1989 WeakPolarHBondContact O-CA 3.37Å; Y1975-A1989 WeakPolarHBondContact O-CB 3.33Å; Y1975-I1990 PolarHBondContact N-O 2.91Å; Y1975-I1990 PolarHBondContact O-N 3.26Å; Y1975-L1992 HydrophobicContact CD2-CB 4.3Å; Y1975-L1992 HydrophobicContact CD2-CD1 3.56Å; Y1975-L1992 HydrophobicContact CD2-CG 4.07Å; Y1975-L1992 HydrophobicContact CE2-CB 4.21Å; Y1975-L1992 HydrophobicContact CE2-CD1 3.82Å; Y1975-L1992 HydrophobicContact CE2-CG 4.4Å; Y1975-L1992 HydrophobicContact CG-CD1 4.4Å; Y1975-I1994 HydrophobicContact CE2-CD1 4.42Å |
| 1976 | N | 85.8 | Confident | 82.3 | Confident | 111.8 Ų | 111.8 | 57.7 Ų | 57.7 | 60% | 0.598 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 141.1 | 171.3 | -67 | -31.3 | 0 | 0 | 0 | 109.8 | ||
| 1977 | L | 89.3 | Confident | 82.4 | Confident | 18 Ų | 18 | 57.2 Ų | 57.2 | 9% | 0.094 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 127 | -179.5 | -67.1 | 176.5 | 0 | 0 | 0 | 111.3 | L1880 V1934 V1986 G1988 I1990 | L1880-L1977 HydrophobicContact CD2-CD1 3.38Å; V1934-L1977 HydrophobicContact CG2-CD1 4.08Å; V1934-L1977 HydrophobicContact CG2-CD2 3.87Å; L1977-V1986 HydrophobicContact CB-CG1 3.6Å; L1977-V1986 VanDerWaalsContact O-CG1 3.24Å; L1977-V1986 WeakPolarHBondContact O-CG1 3.37Å; L1977-G1988 WeakPolarHBondContact CB-O 3.36Å; L1977-G1988 PolarHBondContact N-O 3.01Å; L1977-I1990 HydrophobicContact CD2-CB 4.2Å; L1977-I1990 HydrophobicContact CD2-CG2 3.8Å |
| 1978 | E | 84.9 | Confident | 82.4 | Confident | 107.4 Ų | 107.4 | 57.6 Ų | 57.6 | 50% | 0.502 | 29% | 0.291 | S | S | . | . | B | Isolated β-bridge | trans | -95.3 | 153.6 | -178.6 | -61.6 | -176.1 | 152.5 | 0 | 0 | 112.8 | Q1959 R1980 | Q1959-E1978 HydrophobicContact CG-CB 4.2Å; Q1959-E1978 PolarHBondContact N-O 3.12Å; Q1959-E1978 VanDerWaalsContact N-O 3.14Å; Q1959-E1978 PolarHBondContact O-N 2.93Å; E1978-R1980 PolarHBondContact O-N 2.93Å |
| 1979 | K | 83.6 | Confident | 82.7 | Confident | 124.6 Ų | 124.6 | 57.5 Ų | 57.5 | 54% | 0.542 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 122.7 | 170.3 | -64.6 | -177.3 | 175 | -177.9 | 0 | 110.2 | T1981 S1984 V1986 | K1979-T1981 VanDerWaalsContact C-N 3.32Å; K1979-T1981 PolarHBondContact O-N 2.91Å; K1979-S1984 VanDerWaalsContact CD-O 3.23Å; K1979-S1984 WeakPolarHBondContact CD-O 3.4Å; K1979-S1984 VanDerWaalsContact CE-O 3.3Å; K1979-S1984 WeakPolarHBondContact CE-O 3.34Å; K1979-S1984 VanDerWaalsContact CG-O 3.27Å; K1979-S1984 WeakPolarHBondContact CG-O 3.31Å; K1979-S1984 PolarHBondContact NZ-O 3.09Å; K1979-V1986 HydrophobicContact CB-CG2 4.45Å; K1979-V1986 HydrophobicContact CG-CB 3.96Å; K1979-V1986 HydrophobicContact CG-CG2 3.92Å |
| 1980 | R | 76 | Confident | 83.1 | Confident | 62.2 Ų | 62.2 | 57 Ų | 57 | 24% | 0.235 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -76.6 | -27.8 | 173.8 | -179.7 | 172.6 | 126.5 | -148.9 | -0.5 | 113.1 | E1952 F1956 Q1959 E1978 | E1952-R1980 VanDerWaalsContact CD-NH1 3.29Å; E1952-R1980 IonicContact OE1-CZ 3.32Å; E1952-R1980 IonicContact OE1-NH1 3.28Å; E1952-R1980 PolarHBondContact OE1-NH1 3.21Å; E1952-R1980 IonicContact OE1-NH2 3.33Å; E1952-R1980 PolarHBondContact OE1-NH2 3.28Å; E1952-R1980 IonicContact OE2-CZ 2.96Å; E1952-R1980 VanDerWaalsContact OE2-CZ 3.23Å; E1952-R1980 IonicContact OE2-NH1 2.69Å; E1952-R1980 PolarHBondContact OE2-NH1 3.04Å; E1952-R1980 IonicContact OE2-NH2 3.07Å; E1952-R1980 PolarHBondContact OE2-NH2 2.95Å; F1956-R1980 HydrophobicContact CD1-CB 4.36Å; F1956-R1980 VanDerWaalsContact CD2-NE 3.32Å; F1956-R1980 HydrophobicContact CE1-CB 3.62Å; F1956-R1980 HydrophobicContact CE2-CB 4.01Å; F1956-R1980 HydrophobicContact CE2-CG 4.48Å; F1956-R1980 HydrophobicContact CZ-CB 3.4Å; F1956-R1980 VanDerWaalsContact CZ-CB 3.43Å; F1956-R1980 HydrophobicContact CZ-CG 4.4Å; Q1959-R1980 HydrophobicContact CG-CB 4.43Å; E1978-R1980 PolarHBondContact O-N 2.93Å |
| 1981 | T | 73.5 | Confident | 83.4 | Confident | 64.2 Ų | 64.2 | 55.2 Ų | 55.2 | 39% | 0.394 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -146 | 162.3 | 176.1 | 67.7 | 0 | 0 | 0 | 0 | 110.2 | K1979 K1983 S1984 | K1979-T1981 VanDerWaalsContact C-N 3.32Å; K1979-T1981 PolarHBondContact O-N 2.91Å; T1981-K1983 PolarHBondContact O-N 3.18Å; T1981-K1983 VanDerWaalsContact O-N 3.14Å; T1981-K1983 PolarHBondContact OG1-N 3.03Å; T1981-S1984 PolarHBondContact N-OG 3.02Å; T1981-S1984 VanDerWaalsContact N-OG 3.13Å; T1981-S1984 WeakPolarHBondContact O-CB 3.3Å; T1981-S1984 PolarHBondContact O-N 3.16Å; T1981-S1984 PolarHBondContact O-OG 3.2Å; T1981-S1984 VanDerWaalsContact O-OG 3.11Å; T1981-S1984 PolarHBondContact OG1-N 2.92Å; T1981-S1984 PolarHBondContact OG1-OG 3.07Å |
| 1982 | D | 70.7 | Confident | 83.9 | Confident | 149.2 Ų | 149.2 | 54.9 Ų | 54.9 | 80% | 0.798 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -22.8 | 177.6 | -39 | -59.4 | 0 | 0 | 0 | 113 | K1786 S1984 | K1786-D1982 IonicContact NZ-OD2 3.41Å; D1982-S1984 VanDerWaalsContact C-N 3.29Å; D1982-S1984 PolarHBondContact O-N 3.32Å |
| 1983 | K | 73 | Confident | 84.2 | Confident | 202.4 Ų | 202.4 | 54.1 Ų | 54.1 | 88% | 0.88 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -7.9 | 174.8 | -61 | -171.5 | 178.1 | -171.6 | 0 | 113.7 | T1981 A1985 | T1981-K1983 PolarHBondContact O-N 3.18Å; T1981-K1983 VanDerWaalsContact O-N 3.14Å; T1981-K1983 PolarHBondContact OG1-N 3.03Å; K1983-A1985 PolarHBondContact O-N 3.28Å |
| 1984 | S | 79.3 | Confident | 84.6 | Confident | 12.2 Ų | 12.2 | 53.8 Ų | 53.8 | 9% | 0.085 | 26% | 0.264 | C | S | . | . | trans | -83 | 109.8 | -178.3 | -51.1 | 0 | 0 | 0 | 0 | 109.8 | K1979 T1981 D1982 | K1979-S1984 VanDerWaalsContact CD-O 3.23Å; K1979-S1984 WeakPolarHBondContact CD-O 3.4Å; K1979-S1984 VanDerWaalsContact CE-O 3.3Å; K1979-S1984 WeakPolarHBondContact CE-O 3.34Å; K1979-S1984 VanDerWaalsContact CG-O 3.27Å; K1979-S1984 WeakPolarHBondContact CG-O 3.31Å; K1979-S1984 PolarHBondContact NZ-O 3.09Å; T1981-S1984 PolarHBondContact N-OG 3.02Å; T1981-S1984 VanDerWaalsContact N-OG 3.13Å; T1981-S1984 WeakPolarHBondContact O-CB 3.3Å; T1981-S1984 PolarHBondContact O-N 3.16Å; T1981-S1984 PolarHBondContact O-OG 3.2Å; T1981-S1984 VanDerWaalsContact O-OG 3.11Å; T1981-S1984 PolarHBondContact OG1-N 2.92Å; T1981-S1984 PolarHBondContact OG1-OG 3.07Å; D1982-S1984 VanDerWaalsContact C-N 3.29Å; D1982-S1984 PolarHBondContact O-N 3.32Å | ||
| 1985 | A | 83.3 | Confident | 84.7 | Confident | 44 Ų | 44 | 53 Ų | 53 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | trans | -79.7 | 126.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108 | I1881 K1983 | I1881-A1985 HydrophobicContact CD1-CB 3.71Å; K1983-A1985 PolarHBondContact O-N 3.28Å | ||
| 1986 | V | 84.8 | Confident | 84.8 | Confident | 12.6 Ų | 12.6 | 51.4 Ų | 51.4 | 8% | 0.076 | 26% | 0.258 | C | S | . | . | trans | -142.7 | 139.6 | -171.5 | 173.2 | 0 | 0 | 0 | 0 | 107.9 | F1956 L1957 L1977 K1979 | F1956-V1986 HydrophobicContact CD1-CG2 4.29Å; F1956-V1986 HydrophobicContact CE1-CG2 3.88Å; L1957-V1986 WeakPolarHBondContact O-CG1 3.4Å; L1957-V1986 WeakPolarHBondContact O-CG2 3.35Å; L1977-V1986 HydrophobicContact CB-CG1 3.6Å; L1977-V1986 VanDerWaalsContact O-CG1 3.24Å; L1977-V1986 WeakPolarHBondContact O-CG1 3.37Å; K1979-V1986 HydrophobicContact CB-CG2 4.45Å; K1979-V1986 HydrophobicContact CG-CB 3.96Å; K1979-V1986 HydrophobicContact CG-CG2 3.92Å | ||
| 1987 | S | 85 | Confident | 84.8 | Confident | 10 Ų | 10 | 51.3 Ų | 51.3 | 7% | 0.07 | 25% | 0.254 | C | S | . | . | trans | -145.2 | 159.2 | 174 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | G1879 S2110 S2111 | G1879-S1987 CarbonylContact O-C 3.53Å; G1879-S1987 VanDerWaalsContact O-C 3.28Å; G1879-S1987 VanDerWaalsContact O-CB 3.28Å; G1879-S1987 WeakPolarHBondContact O-CB 3.33Å; G1879-S1987 PolarHBondContact O-OG 3.13Å; S1987-S2110 WeakPolarHBondContact OG-CA 3.38Å; S1987-S2111 PolarHBondContact OG-N 3.38Å; S1987-S2111 PolarHBondContact OG-OG 3.03Å | ||
| 1988 | G | 83.7 | Confident | 84.5 | Confident | 10 Ų | 10 | 50.9 Ų | 50.9 | 10% | 0.103 | 25% | 0.251 | C | S | . | . | trans | 91.5 | -176.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q1878 G1879 L1977 | Q1878-G1988 CarbonylContact O-C 3.58Å; Q1878-G1988 WeakPolarHBondContact O-CA 3.42Å; G1879-G1988 VanDerWaalsContact O-CA 3.24Å; G1879-G1988 WeakPolarHBondContact O-CA 3.36Å; G1879-G1988 PolarHBondContact O-N 2.98Å; G1879-G1988 VanDerWaalsContact O-N 3.14Å; L1977-G1988 WeakPolarHBondContact CB-O 3.36Å; L1977-G1988 PolarHBondContact N-O 3.01Å | ||
| 1989 | A | 88.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 156.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | A1877 Q1878 W1974 Y1975 | A1877-A1989 CarbonylContact C-O 3.54Å; A1877-A1989 VanDerWaalsContact CA-O 3.25Å; A1877-A1989 WeakPolarHBondContact CA-O 3.36Å; A1877-A1989 WeakPolarHBondContact CB-O 3.34Å; Q1878-A1989 PolarHBondContact N-O 3.17Å; Q1878-A1989 PolarHBondContact O-N 3.36Å; W1974-A1989 HydrophobicContact CE3-CB 3.94Å; W1974-A1989 HydrophobicContact CZ3-CB 4.42Å; Y1975-A1989 CarbonylContact O-C 3.55Å; Y1975-A1989 VanDerWaalsContact O-CA 3.27Å; Y1975-A1989 WeakPolarHBondContact O-CA 3.37Å; Y1975-A1989 WeakPolarHBondContact O-CB 3.33Å |
| 1990 | I | 92 | Very high | 83.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 130.5 | 177.8 | -169.3 | 169.2 | 0 | 0 | 0 | 110.7 | I1874 C1876 A1877 V1893 W1915 I1932 V1934 A1960 W1974 Y1975 L1977 L1992 | I1874-I1990 HydrophobicContact CG2-CD1 4.13Å; I1874-I1990 HydrophobicContact CG2-CG1 4.39Å; C1876-I1990 WeakPolarHBondContact O-CG1 3.26Å; A1877-I1990 HydrophobicContact CB-CB 4.37Å; A1877-I1990 HydrophobicContact CB-CG1 4.32Å; V1893-I1990 HydrophobicContact CG1-CD1 4.08Å; V1893-I1990 HydrophobicContact CG2-CD1 3.91Å; W1915-I1990 HydrophobicContact CZ3-CD1 4.36Å; I1932-I1990 HydrophobicContact CG2-CD1 4Å; V1934-I1990 HydrophobicContact CG2-CD1 4.1Å; A1960-I1990 HydrophobicContact CB-CG2 4.31Å; W1974-I1990 WeakPolarHBondContact CA-O 3.26Å; Y1975-I1990 PolarHBondContact N-O 2.91Å; Y1975-I1990 PolarHBondContact O-N 3.26Å; L1977-I1990 HydrophobicContact CD2-CB 4.2Å; L1977-I1990 HydrophobicContact CD2-CG2 3.8Å; I1990-L1992 HydrophobicContact CD1-CD2 4.06Å; I1990-L1992 HydrophobicContact CG1-CD2 3.95Å; I1990-L1992 HydrophobicContact CG1-CG 4.4Å; I1990-L1992 HydrophobicContact CG2-CD1 4.4Å; I1990-L1992 HydrophobicContact CG2-CD2 4.47Å; I1990-L1992 HydrophobicContact CG2-CG 4.38Å |
| 1991 | R | 92.5 | Very high | 83.8 | Confident | 80.4 Ų | 80.4 | 50.3 Ų | 50.3 | 30% | 0.303 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 123.7 | 176.7 | -169 | -179.4 | 178.3 | 164.6 | 2.2 | 110.5 | K1875 C1876 D1972 W1974 | K1875-R1991 HydrophobicContact CB-CB 4.31Å; K1875-R1991 HydrophobicContact CB-CG 4.34Å; K1875-R1991 HydrophobicContact CD-CG 4.18Å; K1875-R1991 PolarHBondContact N-O 3.14Å; K1875-R1991 VanDerWaalsContact N-O 3.11Å; C1876-R1991 PolarHBondContact O-N 2.95Å; D1972-R1991 IonicContact OD1-CZ 3.07Å; D1972-R1991 IonicContact OD1-NE 3.22Å; D1972-R1991 PolarHBondContact OD1-NE 3.15Å; D1972-R1991 IonicContact OD1-NH2 3.09Å; D1972-R1991 IonicContact OD2-CZ 3.22Å; D1972-R1991 IonicContact OD2-NE 3.18Å; D1972-R1991 IonicContact OD2-NH2 3.25Å; D1972-R1991 PolarHBondContact OD2-NH2 3.18Å; W1974-R1991 HydrophobicContact CD2-CB 3.71Å; W1974-R1991 HydrophobicContact CD2-CG 4.07Å; W1974-R1991 HydrophobicContact CE3-CB 3.72Å; W1974-R1991 HydrophobicContact CG-CB 4.42Å; W1974-R1991 HydrophobicContact CG-CG 4.41Å; W1974-R1991 HydrophobicContact CH2-CB 3.95Å; W1974-R1991 HydrophobicContact CZ2-CB 3.94Å; W1974-R1991 HydrophobicContact CZ2-CG 4.25Å; W1974-R1991 HydrophobicContact CZ3-CB 3.83Å |
| 1992 | L | 93.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 128.7 | -176.6 | -56.2 | 176.1 | 0 | 0 | 0 | 109.4 | I1874 I1932 I1962 M1971 D1972 V1973 Y1975 I1990 I1994 | I1874-L1992 HydrophobicContact CB-CD2 4.32Å; I1874-L1992 HydrophobicContact CD1-CD2 3.42Å; I1874-L1992 VanDerWaalsContact CD1-CD2 3.42Å; I1874-L1992 HydrophobicContact CG1-CD2 4.09Å; I1874-L1992 HydrophobicContact CG2-CD2 4.1Å; I1932-L1992 HydrophobicContact CD1-CD1 3.25Å; I1932-L1992 HydrophobicContact CD1-CD2 4.03Å; I1932-L1992 HydrophobicContact CD1-CG 4.3Å; I1932-L1992 HydrophobicContact CG1-CD1 4.48Å; I1962-L1992 HydrophobicContact CD1-CD1 3.62Å; M1971-L1992 VanDerWaalsContact O-O 3.12Å; D1972-L1992 WeakPolarHBondContact CA-O 3.46Å; V1973-L1992 PolarHBondContact N-O 3.11Å; V1973-L1992 PolarHBondContact O-N 3.06Å; Y1975-L1992 HydrophobicContact CD2-CB 4.3Å; Y1975-L1992 HydrophobicContact CD2-CD1 3.56Å; Y1975-L1992 HydrophobicContact CD2-CG 4.07Å; Y1975-L1992 HydrophobicContact CE2-CB 4.21Å; Y1975-L1992 HydrophobicContact CE2-CD1 3.82Å; Y1975-L1992 HydrophobicContact CE2-CG 4.4Å; Y1975-L1992 HydrophobicContact CG-CD1 4.4Å; I1990-L1992 HydrophobicContact CD1-CD2 4.06Å; I1990-L1992 HydrophobicContact CG1-CD2 3.95Å; I1990-L1992 HydrophobicContact CG1-CG 4.4Å; I1990-L1992 HydrophobicContact CG2-CD1 4.4Å; I1990-L1992 HydrophobicContact CG2-CD2 4.47Å; I1990-L1992 HydrophobicContact CG2-CG 4.38Å; L1992-I1994 HydrophobicContact CB-CD1 4.17Å; L1992-I1994 HydrophobicContact CB-CG1 3.99Å; L1992-I1994 HydrophobicContact CD1-CD1 4.29Å |
| 1993 | F | 92.8 | Very high | 83.7 | Confident | 46.4 Ų | 46.4 | 57.2 Ų | 57.2 | 20% | 0.204 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 103.7 | 166.9 | 177.8 | -94.9 | 0 | 0 | 0 | 109.1 | T1873 K1875 E1970 M1971 D1972 | T1873-F1993 WeakPolarHBondContact CB-O 3.38Å; T1873-F1993 PolarHBondContact N-O 2.92Å; T1873-F1993 PolarHBondContact O-N 3.05Å; T1873-F1993 PolarHBondContact OG1-O 3.4Å; K1875-F1993 HydrophobicContact CD-CB 4.21Å; K1875-F1993 HydrophobicContact CG-CB 4.45Å; E1970-F1993 HydrophobicContact CB-CE2 4.11Å; E1970-F1993 HydrophobicContact CB-CZ 3.99Å; E1970-F1993 HydrophobicContact CG-CZ 4.32Å; M1971-F1993 CarbonylContact O-C 3.46Å; M1971-F1993 VanDerWaalsContact O-CA 3.29Å; M1971-F1993 WeakPolarHBondContact O-CA 3.37Å; D1972-F1993 HydrophobicContact CB-CD2 3.9Å |
| 1994 | I | 91.3 | Very high | 84.1 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 114.3 | -175 | -51.2 | 176.6 | 0 | 0 | 0 | 108.2 | I1870 A1871 I1872 I1930 I1962 L1967 M1971 Y1975 L1992 V1996 | I1870-I1994 HydrophobicContact CG2-CG2 3.99Å; A1871-I1994 WeakPolarHBondContact O-CA 3.4Å; I1872-I1994 HydrophobicContact CG1-CG2 4.36Å; I1872-I1994 HydrophobicContact CG2-CG1 4.41Å; I1930-I1994 HydrophobicContact CD1-CD1 4.35Å; I1962-I1994 HydrophobicContact CD1-CD1 3.75Å; L1967-I1994 HydrophobicContact CD1-CG2 4.26Å; L1967-I1994 HydrophobicContact CD2-CD1 4.13Å; L1967-I1994 HydrophobicContact CD2-CG2 4.36Å; M1971-I1994 PolarHBondContact N-O 3.36Å; M1971-I1994 PolarHBondContact O-N 2.92Å; Y1975-I1994 HydrophobicContact CE2-CD1 4.42Å; L1992-I1994 HydrophobicContact CB-CD1 4.17Å; L1992-I1994 HydrophobicContact CB-CG1 3.99Å; L1992-I1994 HydrophobicContact CD1-CD1 4.29Å; I1994-V1996 HydrophobicContact CG2-CG2 3.75Å |
| 1995 | S | 89.7 | Confident | 84.4 | Confident | 16.2 Ų | 16.2 | 49.5 Ų | 49.5 | 11% | 0.113 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 126.1 | 169.4 | -176.9 | 0 | 0 | 0 | 0 | 109.3 | I1870 A1871 G1969 E1970 | I1870-S1995 CarbonylContact C-O 3.56Å; I1870-S1995 WeakPolarHBondContact CA-O 3.36Å; A1871-S1995 PolarHBondContact N-O 3.21Å; A1871-S1995 PolarHBondContact O-N 3.14Å; G1969-S1995 CarbonylContact O-C 3.59Å; G1969-S1995 WeakPolarHBondContact O-CA 3.33Å; E1970-S1995 VanDerWaalsContact OE1-CB 3.3Å; E1970-S1995 WeakPolarHBondContact OE1-CB 3.42Å; E1970-S1995 PolarHBondContact OE1-OG 3.05Å |
| 1996 | V | 87.3 | Confident | 84.6 | Confident | 7.2 Ų | 7.2 | 48.8 Ų | 48.8 | 4% | 0.044 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 107.7 | -179.4 | -172.5 | 0 | 0 | 0 | 0 | 110.7 | A1868 K1869 I1870 L1967 G1969 I1994 I1998 | A1868-V1996 HydrophobicContact CB-CG1 3.87Å; K1869-V1996 WeakPolarHBondContact O-CA 3.38Å; I1870-V1996 HydrophobicContact CG1-CG1 4.4Å; I1870-V1996 HydrophobicContact CG2-CG2 4.23Å; L1967-V1996 HydrophobicContact CB-CB 4.45Å; L1967-V1996 HydrophobicContact CB-CG2 3.77Å; L1967-V1996 HydrophobicContact CD1-CG2 4.23Å; L1967-V1996 HydrophobicContact CG-CG2 4.41Å; G1969-V1996 PolarHBondContact N-O 2.96Å; G1969-V1996 PolarHBondContact O-N 3.06Å; I1994-V1996 HydrophobicContact CG2-CG2 3.75Å; V1996-I1998 HydrophobicContact CG1-CD1 4.4Å; V1996-I1998 HydrophobicContact CG1-CG1 3.81Å; V1996-I1998 PolarHBondContact O-N 3.07Å |
| 1997 | E | 85.6 | Confident | 84.9 | Confident | 109.6 Ų | 109.6 | 48.6 Ų | 48.6 | 51% | 0.512 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 94 | 172.1 | -65.2 | 171.3 | -179.5 | 0 | 0 | 108.5 | A1868 K1869 | A1868-E1997 CarbonylContact C-O 3.53Å; A1868-E1997 VanDerWaalsContact CA-O 3.25Å; A1868-E1997 WeakPolarHBondContact CA-O 3.34Å; A1868-E1997 WeakPolarHBondContact CB-O 3.32Å; K1869-E1997 HydrophobicContact CB-CB 4.33Å; K1869-E1997 WeakPolarHBondContact CD-OE2 3.37Å; K1869-E1997 PolarHBondContact N-O 3.02Å; K1869-E1997 IonicContact NZ-OE2 2.78Å; K1869-E1997 PolarHBondContact O-N 3.25Å |
| 1998 | I | 83.7 | Confident | 85.2 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.051 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 128.1 | 173.1 | -56.9 | 178 | 0 | 0 | 0 | 108.2 | W1866 A1868 V1996 G2000 E2001 | W1866-I1998 HydrophobicContact CZ2-CD1 4.47Å; W1866-I1998 HydrophobicContact CZ2-CG1 4.34Å; A1868-I1998 HydrophobicContact CB-CG1 4.12Å; V1996-I1998 HydrophobicContact CG1-CD1 4.4Å; V1996-I1998 HydrophobicContact CG1-CG1 3.81Å; V1996-I1998 PolarHBondContact O-N 3.07Å; I1998-G2000 PolarHBondContact O-N 3.13Å; I1998-G2000 VanDerWaalsContact O-N 3.11Å; I1998-E2001 HydrophobicContact CB-CB 4.12Å; I1998-E2001 HydrophobicContact CG2-CB 4.23Å; I1998-E2001 CarbonylContact O-C 3.57Å; I1998-E2001 VanDerWaalsContact O-C 3.29Å; I1998-E2001 PolarHBondContact O-N 2.94Å |
| 1999 | K | 80.6 | Confident | 85.5 | Confident | 158 Ų | 158 | 51.4 Ų | 51.4 | 69% | 0.687 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 114.9 | -179.1 | -175.2 | 179.2 | -179.9 | 179.5 | 0 | 111 | S1867 | S1867-K1999 WeakPolarHBondContact O-CB 3.41Å; S1867-K1999 PolarHBondContact O-N 3.05Å; S1867-K1999 WeakPolarHBondContact OG-CB 3.36Å; S1867-K1999 VanDerWaalsContact OG-CD 3.3Å; S1867-K1999 WeakPolarHBondContact OG-CD 3.41Å |
| 2000 | G | 74.4 | Confident | 85.7 | Confident | 70.4 Ų | 70.4 | 51.4 Ų | 51.4 | 73% | 0.726 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.8 | -3.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | I1998 | I1998-G2000 PolarHBondContact O-N 3.13Å; I1998-G2000 VanDerWaalsContact O-N 3.11Å |
| 2001 | E | 74.9 | Confident | 85.8 | Confident | 51.5 Ų | 51.5 | 51.4 Ų | 51.4 | 24% | 0.241 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -130 | 57.8 | 174.1 | -69.1 | -174.6 | 166.4 | 0 | 0 | 109 | K1731 I1998 V2004 | K1731-E2001 VanDerWaalsContact CE-OE1 3.27Å; K1731-E2001 WeakPolarHBondContact CE-OE1 3.28Å; K1731-E2001 IonicContact NZ-OE1 2.75Å; K1731-E2001 PolarHBondContact NZ-OE1 3.18Å; K1731-E2001 IonicContact NZ-OE2 3.24Å; K1731-E2001 PolarHBondContact NZ-OE2 3.13Å; I1998-E2001 HydrophobicContact CB-CB 4.12Å; I1998-E2001 HydrophobicContact CG2-CB 4.23Å; I1998-E2001 CarbonylContact O-C 3.57Å; I1998-E2001 VanDerWaalsContact O-C 3.29Å; I1998-E2001 PolarHBondContact O-N 2.94Å; E2001-V2004 HydrophobicContact CB-CG1 3.98Å; E2001-V2004 HydrophobicContact CB-CG2 4.2Å; E2001-V2004 WeakPolarHBondContact O-CG2 3.33Å |
| 2002 | E | 68.1 | Low | 85.9 | Confident | 145.25 Ų | 145.25 | 48.1 Ų | 48.1 | 68% | 0.679 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 141.6 | 179.8 | -66.1 | 171.6 | -156 | 0 | 0 | 110.5 | V2004 | E2002-V2004 VanDerWaalsContact C-N 3.26Å; E2002-V2004 PolarHBondContact O-N 3.14Å |
| 2003 | K | 74 | Confident | 85.9 | Confident | 215 Ų | 215 | 48.1 Ų | 48.1 | 94% | 0.935 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 23.1 | -179.6 | -53.1 | -178.6 | -179.9 | 179.4 | 0 | 116.5 | ||
| 2004 | V | 81.3 | Confident | 86 | Confident | 21 Ų | 21 | 45.9 Ų | 45.9 | 13% | 0.127 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 149.2 | 176.2 | -86.2 | 0 | 0 | 0 | 0 | 112.6 | H1727 S1968 G1969 E2001 E2002 | H1727-V2004 VanDerWaalsContact CE1-CG1 3.45Å; H1727-V2004 WeakPolarHBondContact CE1-CG1 3.34Å; H1727-V2004 VanDerWaalsContact CE1-CG2 3.45Å; H1727-V2004 WeakPolarHBondContact CE1-CG2 3.48Å; H1727-V2004 VanDerWaalsContact NE2-CG1 3.3Å; H1727-V2004 WeakPolarHBondContact NE2-CG1 3.41Å; S1968-V2004 VanDerWaalsContact OG-CG1 3.31Å; S1968-V2004 WeakPolarHBondContact OG-CG1 3.49Å; S1968-V2004 VanDerWaalsContact OG-CG2 3.25Å; S1968-V2004 WeakPolarHBondContact OG-CG2 3.17Å; G1969-V2004 WeakPolarHBondContact CA-O 3.4Å; E2001-V2004 HydrophobicContact CB-CG1 3.98Å; E2001-V2004 HydrophobicContact CB-CG2 4.2Å; E2001-V2004 WeakPolarHBondContact O-CG2 3.33Å; E2002-V2004 VanDerWaalsContact C-N 3.26Å; E2002-V2004 PolarHBondContact O-N 3.14Å |
| 2005 | A | 85.3 | Confident | 86.2 | Confident | 30.75 Ų | 30.75 | 45.8 Ų | 45.8 | 25% | 0.254 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -74.8 | 150.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1724 S1968 V2009 Q2010 | M1724-A2005 HydrophobicContact SD-CB 4.18Å; S1968-A2005 PolarHBondContact OG-O 3.3Å; A2005-V2009 HydrophobicContact CB-CB 4.43Å; A2005-V2009 HydrophobicContact CB-CG1 4.4Å; A2005-Q2010 HydrophobicContact CB-CG 4.46Å; A2005-Q2010 PolarHBondContact O-NE2 3.17Å |
| 2006 | P | 88.5 | Confident | 86.4 | Confident | 28.5 Ų | 28.5 | 45.5 Ų | 45.5 | 19% | 0.185 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -55.9 | 147 | 174.3 | -30.3 | 39.2 | 0 | 0 | 0 | 114.4 | S1968 E1970 M1971 H2008 V2009 Q2010 | S1968-P2006 WeakPolarHBondContact O-CA 3.35Å; E1970-P2006 WeakPolarHBondContact O-CG 3.35Å; M1971-P2006 HydrophobicContact CG-CB 3.98Å; M1971-P2006 HydrophobicContact CG-CG 4.27Å; P2006-H2008 VanDerWaalsContact C-N 3.25Å; P2006-H2008 PolarHBondContact O-N 3.26Å; P2006-H2008 VanDerWaalsContact O-N 3.11Å; P2006-V2009 HydrophobicContact CB-CG2 4.29Å; P2006-V2009 HydrophobicContact CG-CG2 4.46Å; P2006-V2009 WeakPolarHBondContact O-CA 3.28Å; P2006-V2009 WeakPolarHBondContact O-CB 3.41Å; P2006-V2009 PolarHBondContact O-N 3.33Å; P2006-Q2010 WeakPolarHBondContact O-CG 3.37Å; P2006-Q2010 PolarHBondContact O-N 3.06Å |
| 2007 | Y | 91.1 | Very high | 86.7 | Confident | 9.5 Ų | 9.5 | 45.9 Ų | 45.9 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.5 | -28 | -178.6 | -71.8 | -55.8 | 0 | 0 | 0 | 114.1 | K1731 R1965 T1966 L1967 S1968 V2009 Q2010 Y2011 F2060 Y2064 | K1731-Y2007 HydrophobicContact CD-CE1 4.39Å; R1965-Y2007 VanDerWaalsContact O-CE2 3.31Å; R1965-Y2007 WeakPolarHBondContact O-CE2 3.4Å; T1966-Y2007 WeakPolarHBondContact O-CD2 3.47Å; L1967-Y2007 VanDerWaalsContact C-CE2 3.47Å; L1967-Y2007 VanDerWaalsContact O-CE2 3.27Å; L1967-Y2007 WeakPolarHBondContact O-CE2 3.41Å; S1968-Y2007 VanDerWaalsContact CB-CE2 3.47Å; Y2007-V2009 VanDerWaalsContact C-N 3.33Å; Y2007-V2009 PolarHBondContact O-N 3.44Å; Y2007-Q2010 HydrophobicContact CD1-CB 4.47Å; Y2007-Q2010 HydrophobicContact CD1-CG 4.44Å; Y2007-Q2010 PolarHBondContact O-N 3.17Å; Y2007-Y2011 WeakPolarHBondContact O-CB 3.39Å; Y2007-Y2011 PolarHBondContact O-N 3.01Å; Y2007-F2060 HydrophobicContact CD1-CZ 4.36Å; Y2007-Y2064 AromaticContact CD1-CD1 3.84Å; Y2007-Y2064 HydrophobicContact CD1-CD1 3.84Å; Y2007-Y2064 HydrophobicContact CD1-CD2 4.31Å; Y2007-Y2064 HydrophobicContact CD1-CE1 4.38Å; Y2007-Y2064 AromaticContact CD1-CG 3.75Å; Y2007-Y2064 HydrophobicContact CD1-CG 3.75Å; Y2007-Y2064 HydrophobicContact CD2-CD1 4.17Å; Y2007-Y2064 HydrophobicContact CD2-CG 4.38Å; Y2007-Y2064 AromaticContact CE1-CD1 3.4Å; Y2007-Y2064 HydrophobicContact CE1-CD1 3.4Å; Y2007-Y2064 VanDerWaalsContact CE1-CD1 3.42Å; Y2007-Y2064 HydrophobicContact CE1-CD2 4.25Å; Y2007-Y2064 AromaticContact CE1-CE1 3.67Å; Y2007-Y2064 HydrophobicContact CE1-CE1 3.67Å; Y2007-Y2064 HydrophobicContact CE1-CE2 4.47Å; Y2007-Y2064 AromaticContact CE1-CG 3.8Å; Y2007-Y2064 HydrophobicContact CE1-CG 3.8Å; Y2007-Y2064 AromaticContact CE2-CD1 3.73Å; Y2007-Y2064 HydrophobicContact CE2-CD1 3.73Å; Y2007-Y2064 HydrophobicContact CE2-CE1 4.42Å; Y2007-Y2064 HydrophobicContact CE2-CG 4.39Å; Y2007-Y2064 HydrophobicContact CG-CD1 4.21Å; Y2007-Y2064 HydrophobicContact CG-CG 4.07Å; Y2007-Y2064 AromaticContact CZ-CD1 3.34Å; Y2007-Y2064 VanDerWaalsContact CZ-CD1 3.4Å; Y2007-Y2064 AromaticContact CZ-CE1 3.67Å; Y2007-Y2064 AromaticContact CZ-CG 4Å; Y2007-Y2064 WeakPolarHBondContact OH-CE1 3.34Å |
| 2008 | H | 90.6 | Very high | 87.2 | Confident | 16 Ų | 16 | 40.7 Ų | 40.7 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.5 | -44.8 | 169.8 | -73.2 | 103.1 | 0 | 0 | 0 | 112.4 | P2006 Y2011 T2012 E2067 Y2070 | P2006-H2008 VanDerWaalsContact C-N 3.25Å; P2006-H2008 PolarHBondContact O-N 3.26Å; P2006-H2008 VanDerWaalsContact O-N 3.11Å; H2008-Y2011 PolarHBondContact O-N 2.97Å; H2008-T2012 PolarHBondContact O-N 3.17Å; H2008-T2012 PolarHBondContact O-OG1 3.25Å; H2008-T2012 VanDerWaalsContact O-OG1 3.09Å; H2008-E2067 IonicContact CD2-OE1 3.45Å; H2008-E2067 IonicContact CD2-OE2 3.03Å; H2008-E2067 IonicContact CE1-OE1 2.7Å; H2008-E2067 IonicContact CE1-OE2 2.77Å; H2008-E2067 IonicContact NE2-OE1 3.69Å; H2008-E2067 PolarHBondContact NE2-OE1 3.25Å; H2008-E2067 IonicContact NE2-OE2 3.5Å; H2008-E2067 PolarHBondContact NE2-OE2 3.2Å; H2008-Y2070 HydrophobicContact CB-CE1 4.19Å; H2008-Y2070 HydrophobicContact CB-CE2 3.92Å; H2008-Y2070 AromaticContact CD2-CD1 3.83Å; H2008-Y2070 AromaticContact CD2-CD2 3.53Å; H2008-Y2070 VanDerWaalsContact CD2-CD2 3.49Å; H2008-Y2070 WeakPolarHBondContact CD2-CD2 3.33Å; H2008-Y2070 AromaticContact CD2-CE1 3.94Å; H2008-Y2070 AromaticContact CD2-CE2 3.66Å; H2008-Y2070 AromaticContact CD2-CG 3.69Å; H2008-Y2070 AromaticContact CD2-CZ 3.89Å; H2008-Y2070 AromaticContact CG-CE2 3.93Å; H2008-Y2070 WeakPolarHBondContact O-CE1 3.27Å; H2008-Y2070 PolarHBondContact O-OH 3.12Å |
| 2009 | V | 90.5 | Very high | 87.7 | Confident | 61.75 Ų | 61.75 | 40.7 Ų | 40.7 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -69.5 | -40 | 176.4 | -173.9 | 0 | 0 | 0 | 0 | 110.6 | M1724 A2005 P2006 Y2007 Y2011 T2012 C2013 | M1724-V2009 HydrophobicContact CE-CG1 4.37Å; M1724-V2009 HydrophobicContact SD-CG1 3.77Å; A2005-V2009 HydrophobicContact CB-CB 4.43Å; A2005-V2009 HydrophobicContact CB-CG1 4.4Å; P2006-V2009 HydrophobicContact CB-CG2 4.29Å; P2006-V2009 HydrophobicContact CG-CG2 4.46Å; P2006-V2009 WeakPolarHBondContact O-CA 3.28Å; P2006-V2009 WeakPolarHBondContact O-CB 3.41Å; P2006-V2009 PolarHBondContact O-N 3.33Å; Y2007-V2009 VanDerWaalsContact C-N 3.33Å; Y2007-V2009 PolarHBondContact O-N 3.44Å; V2009-Y2011 PolarHBondContact O-N 3.28Å; V2009-T2012 PolarHBondContact O-N 3.19Å; V2009-C2013 WeakPolarHBondContact O-CB 3.38Å; V2009-C2013 PolarHBondContact O-N 3.24Å |
| 2010 | Q | 92.4 | Very high | 88.2 | Confident | 0.25 Ų | 0.25 | 36.8 Ų | 36.8 | 0% | 0.001 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.3 | -41.8 | 174.5 | -64.7 | -169.2 | 31.5 | 0 | 0 | 112.4 | H1727 V1728 S1968 A2005 P2006 Y2007 C2013 L2014 F2060 | H1727-Q2010 PolarHBondContact CD2-NE2 3.24Å; H1727-Q2010 PolarHBondContact NE2-NE2 3.29Å; V1728-Q2010 HydrophobicContact CG2-CB 3.75Å; V1728-Q2010 HydrophobicContact CG2-CG 3.89Å; S1968-Q2010 PolarHBondContact OG-NE2 3.26Å; A2005-Q2010 HydrophobicContact CB-CG 4.46Å; A2005-Q2010 PolarHBondContact O-NE2 3.17Å; P2006-Q2010 WeakPolarHBondContact O-CG 3.37Å; P2006-Q2010 PolarHBondContact O-N 3.06Å; Y2007-Q2010 HydrophobicContact CD1-CB 4.47Å; Y2007-Q2010 HydrophobicContact CD1-CG 4.44Å; Y2007-Q2010 PolarHBondContact O-N 3.17Å; Q2010-C2013 WeakPolarHBondContact O-CB 3.33Å; Q2010-C2013 PolarHBondContact O-N 2.98Å; Q2010-L2014 WeakPolarHBondContact O-CB 3.4Å; Q2010-L2014 PolarHBondContact O-N 3.28Å; Q2010-F2060 HydrophobicContact CB-CE1 4.33Å; Q2010-F2060 HydrophobicContact CB-CZ 3.79Å |
| 2011 | Y | 94.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.9 | -44.3 | 174.8 | 179.6 | -84.6 | 0 | 0 | 0 | 111.3 | Y2007 H2008 V2009 C2013 L2014 H2015 V2057 F2060 A2061 I2066 Y2070 Q2071 T2074 | Y2007-Y2011 WeakPolarHBondContact O-CB 3.39Å; Y2007-Y2011 PolarHBondContact O-N 3.01Å; H2008-Y2011 PolarHBondContact O-N 2.97Å; V2009-Y2011 PolarHBondContact O-N 3.28Å; Y2011-C2013 VanDerWaalsContact C-N 3.33Å; Y2011-C2013 PolarHBondContact O-N 3.06Å; Y2011-L2014 PolarHBondContact O-N 3.16Å; Y2011-H2015 HydrophobicContact CD1-CB 4.37Å; Y2011-H2015 HydrophobicContact CE1-CB 3.92Å; Y2011-H2015 AromaticContact CE1-ND1 3.58Å; Y2011-H2015 AromaticContact CZ-ND1 3.53Å; Y2011-H2015 WeakPolarHBondContact O-CB 3.35Å; Y2011-H2015 PolarHBondContact O-N 3.37Å; Y2011-H2015 PolarHBondContact OH-ND1 3.07Å; Y2011-V2057 HydrophobicContact CE2-CB 4.04Å; Y2011-F2060 AromaticContact CD2-CD1 3.91Å; Y2011-F2060 HydrophobicContact CD2-CD1 3.91Å; Y2011-F2060 HydrophobicContact CD2-CE1 4.43Å; Y2011-A2061 HydrophobicContact CD2-CB 4.37Å; Y2011-A2061 HydrophobicContact CE2-CB 4.05Å; Y2011-I2066 HydrophobicContact CD1-CG2 4.22Å; Y2011-I2066 HydrophobicContact CD2-CB 4.37Å; Y2011-I2066 HydrophobicContact CD2-CG1 4.18Å; Y2011-I2066 HydrophobicContact CD2-CG2 4.18Å; Y2011-I2066 HydrophobicContact CG-CB 4.5Å; Y2011-I2066 HydrophobicContact CG-CG1 4.24Å; Y2011-I2066 HydrophobicContact CG-CG2 3.96Å; Y2011-Y2070 HydrophobicContact CD1-CD1 4.2Å; Y2011-Y2070 HydrophobicContact CD1-CE1 4.16Å; Y2011-Q2071 HydrophobicContact CE1-CB 4.1Å; Y2011-Q2071 HydrophobicContact CE1-CG 3.92Å; Y2011-Q2071 HydrophobicContact CE2-CG 3.95Å; Y2011-Q2071 VanDerWaalsContact CZ-CG 3.49Å; Y2011-Q2071 VanDerWaalsContact OH-CB 3.31Å; Y2011-Q2071 WeakPolarHBondContact OH-CB 3.28Å; Y2011-Q2071 WeakPolarHBondContact OH-CG 3.39Å; Y2011-Q2071 PolarHBondContact OH-OE1 3.34Å; Y2011-T2074 HydrophobicContact CD1-CG2 4.35Å; Y2011-T2074 HydrophobicContact CE1-CG2 4.14Å |
| 2012 | T | 93.8 | Very high | 90 | Very high | 11.25 Ų | 11.25 | 35.2 Ų | 35.2 | 7% | 0.069 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.6 | -47.2 | 174.3 | -62.2 | 0 | 0 | 0 | 0 | 110.8 | H2008 V2009 L2014 H2015 E2016 Y2070 T2074 | H2008-T2012 PolarHBondContact O-N 3.17Å; H2008-T2012 PolarHBondContact O-OG1 3.25Å; H2008-T2012 VanDerWaalsContact O-OG1 3.09Å; V2009-T2012 PolarHBondContact O-N 3.19Å; T2012-L2014 PolarHBondContact O-N 3.14Å; T2012-H2015 PolarHBondContact O-N 2.99Å; T2012-E2016 HydrophobicContact CG2-CG 4.16Å; T2012-E2016 WeakPolarHBondContact CG2-OE2 3.36Å; T2012-E2016 VanDerWaalsContact O-CB 3.28Å; T2012-E2016 WeakPolarHBondContact O-CB 3.35Å; T2012-E2016 VanDerWaalsContact O-CG 3.26Å; T2012-E2016 WeakPolarHBondContact O-CG 3.39Å; T2012-E2016 PolarHBondContact O-N 3.2Å; T2012-Y2070 WeakPolarHBondContact OG1-CE1 3.44Å; T2012-Y2070 PolarHBondContact OG1-OH 3.23Å; T2012-Y2070 VanDerWaalsContact OG1-OH 3.08Å; T2012-T2074 HydrophobicContact CG2-CG2 4.32Å |
| 2013 | C | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.7 | -45.6 | 174.6 | -177.5 | 0 | 0 | 0 | 0 | 112.3 | M1724 V1728 V2009 Q2010 Y2011 N2017 | M1724-C2013 HydrophobicContact CE-CB 4.21Å; M1724-C2013 HydrophobicContact CG-CB 4.44Å; M1724-C2013 HydrophobicContact SD-CB 4.25Å; V1728-C2013 HydrophobicContact CG2-CB 4.09Å; V2009-C2013 WeakPolarHBondContact O-CB 3.38Å; V2009-C2013 PolarHBondContact O-N 3.24Å; Q2010-C2013 WeakPolarHBondContact O-CB 3.33Å; Q2010-C2013 PolarHBondContact O-N 2.98Å; Y2011-C2013 VanDerWaalsContact C-N 3.33Å; Y2011-C2013 PolarHBondContact O-N 3.06Å; C2013-N2017 WeakPolarHBondContact O-CB 3.3Å; C2013-N2017 PolarHBondContact O-N 3.02Å; C2013-N2017 VanDerWaalsContact O-N 3.1Å; C2013-N2017 PolarHBondContact O-ND2 3.02Å; C2013-N2017 PolarHBondContact SG-ND2 3.24Å |
| 2014 | L | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.7 | -52.6 | 177.4 | 178.1 | 61.3 | 0 | 0 | 0 | 111.8 | V1728 T1732 L1837 F1841 Q2010 Y2011 T2012 E2016 N2017 I2018 I2056 F2060 | V1728-L2014 HydrophobicContact CG1-CB 3.84Å; V1728-L2014 HydrophobicContact CG1-CD1 4.45Å; T1732-L2014 HydrophobicContact CG2-CD1 4.13Å; T1732-L2014 HydrophobicContact CG2-CD2 4.07Å; L1837-L2014 HydrophobicContact CD1-CD1 4.15Å; F1841-L2014 HydrophobicContact CE2-CD1 3.72Å; F1841-L2014 HydrophobicContact CZ-CD1 3.94Å; Q2010-L2014 WeakPolarHBondContact O-CB 3.4Å; Q2010-L2014 PolarHBondContact O-N 3.28Å; Y2011-L2014 PolarHBondContact O-N 3.16Å; T2012-L2014 PolarHBondContact O-N 3.14Å; L2014-E2016 VanDerWaalsContact C-N 3.34Å; L2014-E2016 PolarHBondContact O-N 2.84Å; L2014-N2017 PolarHBondContact O-N 3.18Å; L2014-I2018 HydrophobicContact CD1-CD1 3.74Å; L2014-I2018 HydrophobicContact CD1-CG1 4.26Å; L2014-I2018 HydrophobicContact CG-CD1 3.92Å; L2014-I2018 VanDerWaalsContact O-CG1 3.31Å; L2014-I2018 WeakPolarHBondContact O-CG1 3.41Å; L2014-I2018 PolarHBondContact O-N 3.25Å; L2014-I2056 HydrophobicContact CD1-CG2 4.25Å; L2014-I2056 HydrophobicContact CD2-CG2 4.34Å; L2014-F2060 HydrophobicContact CD2-CB 3.65Å; L2014-F2060 HydrophobicContact CD2-CD1 4.25Å; L2014-F2060 HydrophobicContact CD2-CD2 3.55Å; L2014-F2060 HydrophobicContact CD2-CE2 4.26Å; L2014-F2060 HydrophobicContact CD2-CG 3.54Å |
| 2015 | H | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.3 | -41.2 | -176 | -163.9 | 119.9 | 0 | 0 | 0 | 111.4 | Y2011 T2012 F2019 Y2048 F2049 T2074 H2075 | Y2011-H2015 HydrophobicContact CD1-CB 4.37Å; Y2011-H2015 HydrophobicContact CE1-CB 3.92Å; Y2011-H2015 AromaticContact CE1-ND1 3.58Å; Y2011-H2015 AromaticContact CZ-ND1 3.53Å; Y2011-H2015 WeakPolarHBondContact O-CB 3.35Å; Y2011-H2015 PolarHBondContact O-N 3.37Å; Y2011-H2015 PolarHBondContact OH-ND1 3.07Å; T2012-H2015 PolarHBondContact O-N 2.99Å; H2015-F2019 VanDerWaalsContact O-CB 3.29Å; H2015-F2019 WeakPolarHBondContact O-CB 3.28Å; H2015-F2019 PolarHBondContact O-N 3.22Å; H2015-Y2048 AromaticContact CE1-CD2 3.9Å; H2015-Y2048 AromaticContact CE1-CG 3.85Å; H2015-F2049 AromaticContact CD2-CZ 3.82Å; H2015-F2049 AromaticContact CE1-CE2 3.79Å; H2015-F2049 AromaticContact NE2-CE2 3.7Å; H2015-F2049 AromaticContact NE2-CZ 3.57Å; H2015-T2074 HydrophobicContact CB-CG2 3.9Å; H2015-H2075 AromaticContact CE1-ND1 3.64Å; H2015-H2075 WeakPolarHBondContact NE2-CB 3.42Å; H2015-H2075 AromaticContact NE2-CG 3.6Å; H2015-H2075 AromaticContact NE2-ND1 2.95Å; H2015-H2075 PolarHBondContact NE2-ND1 2.98Å |
| 2016 | E | 93.8 | Very high | 92.5 | Very high | 9.5 Ų | 9.5 | 21.8 Ų | 21.8 | 4% | 0.044 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.7 | -41.9 | 177.5 | -73.1 | -179.6 | 147.2 | 0 | 0 | 112.8 | R1716 S1718 I1719 T2012 L2014 F2019 H2020 | R1716-E2016 VanDerWaalsContact CD-OE1 3.28Å; R1716-E2016 WeakPolarHBondContact CD-OE1 3.36Å; R1716-E2016 WeakPolarHBondContact CG-OE1 3.39Å; R1716-E2016 IonicContact CZ-OE1 3.35Å; R1716-E2016 IonicContact NE-OE1 3.39Å; R1716-E2016 PolarHBondContact NE-OE1 3.09Å; R1716-E2016 IonicContact NH1-OE1 2.92Å; R1716-E2016 PolarHBondContact NH1-OE1 3.14Å; S1718-E2016 VanDerWaalsContact CB-OE2 3.32Å; S1718-E2016 WeakPolarHBondContact CB-OE2 3.42Å; S1718-E2016 PolarHBondContact OG-OE2 3.13Å; I1719-E2016 HydrophobicContact CD1-CB 4.36Å; I1719-E2016 HydrophobicContact CG1-CB 4.37Å; T2012-E2016 HydrophobicContact CG2-CG 4.16Å; T2012-E2016 WeakPolarHBondContact CG2-OE2 3.36Å; T2012-E2016 VanDerWaalsContact O-CB 3.28Å; T2012-E2016 WeakPolarHBondContact O-CB 3.35Å; T2012-E2016 VanDerWaalsContact O-CG 3.26Å; T2012-E2016 WeakPolarHBondContact O-CG 3.39Å; T2012-E2016 PolarHBondContact O-N 3.2Å; L2014-E2016 VanDerWaalsContact C-N 3.34Å; L2014-E2016 PolarHBondContact O-N 2.84Å; E2016-F2019 PolarHBondContact O-N 3.32Å; E2016-H2020 VanDerWaalsContact O-CB 3.29Å; E2016-H2020 WeakPolarHBondContact O-CB 3.32Å; E2016-H2020 PolarHBondContact O-N 3.22Å |
| 2017 | N | 93.5 | Very high | 92.4 | Very high | 15.5 Ų | 15.5 | 26.6 Ų | 26.6 | 8% | 0.083 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.6 | -40.2 | 177.6 | -78.9 | -91.6 | 0 | 0 | 0 | 111.3 | K1725 V1840 F1841 C2013 L2014 H2020 Y2021 | K1725-N2017 VanDerWaalsContact CE-OD1 3.31Å; K1725-N2017 WeakPolarHBondContact CE-OD1 3.24Å; V1840-N2017 HydrophobicContact CG1-CB 3.92Å; F1841-N2017 HydrophobicContact CE1-CB 4.48Å; F1841-N2017 HydrophobicContact CZ-CB 4.4Å; C2013-N2017 WeakPolarHBondContact O-CB 3.3Å; C2013-N2017 PolarHBondContact O-N 3.02Å; C2013-N2017 VanDerWaalsContact O-N 3.1Å; C2013-N2017 PolarHBondContact O-ND2 3.02Å; C2013-N2017 PolarHBondContact SG-ND2 3.24Å; L2014-N2017 PolarHBondContact O-N 3.18Å; N2017-H2020 PolarHBondContact O-N 3.21Å; N2017-Y2021 VanDerWaalsContact O-CB 3.24Å; N2017-Y2021 WeakPolarHBondContact O-CB 3.4Å; N2017-Y2021 PolarHBondContact O-N 3.26Å |
| 2018 | I | 95 | Very high | 92.3 | Very high | 0.25 Ų | 0.25 | 30.8 Ų | 30.8 | 0% | 0.001 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.2 | -50.5 | 173.1 | -70.4 | 172 | 0 | 0 | 0 | 110.4 | V1840 L2014 H2020 Y2021 L2022 F2049 A2053 I2056 V2057 | V1840-I2018 HydrophobicContact CG1-CG1 3.95Å; V1840-I2018 HydrophobicContact CG2-CG1 4.25Å; L2014-I2018 HydrophobicContact CD1-CD1 3.74Å; L2014-I2018 HydrophobicContact CD1-CG1 4.26Å; L2014-I2018 HydrophobicContact CG-CD1 3.92Å; L2014-I2018 VanDerWaalsContact O-CG1 3.31Å; L2014-I2018 WeakPolarHBondContact O-CG1 3.41Å; L2014-I2018 PolarHBondContact O-N 3.25Å; I2018-H2020 PolarHBondContact O-N 3.18Å; I2018-Y2021 PolarHBondContact O-N 3.03Å; I2018-L2022 HydrophobicContact CG2-CD1 3.82Å; I2018-L2022 HydrophobicContact CG2-CG 4.43Å; I2018-L2022 WeakPolarHBondContact O-CB 3.41Å; I2018-L2022 VanDerWaalsContact O-CG 3.32Å; I2018-L2022 WeakPolarHBondContact O-CG 3.38Å; I2018-L2022 PolarHBondContact O-N 3.27Å; I2018-F2049 HydrophobicContact CB-CZ 4.44Å; I2018-F2049 HydrophobicContact CG2-CD1 4.37Å; I2018-F2049 HydrophobicContact CG2-CD2 4.2Å; I2018-F2049 HydrophobicContact CG2-CE1 4.05Å; I2018-F2049 HydrophobicContact CG2-CE2 3.88Å; I2018-F2049 HydrophobicContact CG2-CG 4.44Å; I2018-F2049 HydrophobicContact CG2-CZ 3.79Å; I2018-A2053 HydrophobicContact CG2-CB 4Å; I2018-I2056 HydrophobicContact CD1-CB 4.29Å; I2018-I2056 HydrophobicContact CD1-CG2 3.81Å; I2018-V2057 HydrophobicContact CD1-CG1 3.78Å |
| 2019 | F | 94.3 | Very high | 92.2 | Very high | 10.5 Ų | 10.5 | 35.4 Ų | 35.4 | 5% | 0.046 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.7 | -47 | 179.7 | -177.6 | -93.1 | 0 | 0 | 0 | 111.9 | H2015 E2016 L2022 C2023 V2034 F2049 C2078 L2079 K2082 | H2015-F2019 VanDerWaalsContact O-CB 3.29Å; H2015-F2019 WeakPolarHBondContact O-CB 3.28Å; H2015-F2019 PolarHBondContact O-N 3.22Å; E2016-F2019 PolarHBondContact O-N 3.32Å; F2019-L2022 PolarHBondContact O-N 3.33Å; F2019-C2023 PolarHBondContact O-N 3.02Å; F2019-C2023 PolarHBondContact O-SG 3.14Å; F2019-V2034 HydrophobicContact CE2-CG1 4.45Å; F2019-V2034 HydrophobicContact CZ-CG2 4.32Å; F2019-F2049 HydrophobicContact CB-CE1 4.13Å; F2019-F2049 HydrophobicContact CB-CZ 4.09Å; F2019-F2049 AromaticContact CD2-CE1 3.96Å; F2019-F2049 HydrophobicContact CD2-CE1 4.01Å; F2019-F2049 HydrophobicContact CD2-CZ 4.45Å; F2019-C2078 HydrophobicContact CB-CB 4.29Å; F2019-C2078 HydrophobicContact CD1-CB 3.81Å; F2019-C2078 HydrophobicContact CD2-CB 3.82Å; F2019-C2078 HydrophobicContact CE1-CB 4.03Å; F2019-C2078 HydrophobicContact CE2-CB 4.06Å; F2019-C2078 HydrophobicContact CG-CB 3.7Å; F2019-C2078 HydrophobicContact CZ-CB 4.16Å; F2019-L2079 HydrophobicContact CE2-CD2 3.86Å; F2019-L2079 HydrophobicContact CZ-CD2 4.22Å; F2019-K2082 HydrophobicContact CE1-CG 3.86Å; F2019-K2082 HydrophobicContact CZ-CB 4.32Å; F2019-K2082 HydrophobicContact CZ-CG 3.92Å |
| 2020 | H | 91.7 | Very high | 91.9 | Very high | 76.25 Ų | 76.25 | 35.9 Ų | 35.9 | 35% | 0.353 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.7 | -46.7 | 179.1 | -166.6 | -82.7 | 0 | 0 | 0 | 112 | E2016 N2017 I2018 L2022 C2023 E2024 | E2016-H2020 VanDerWaalsContact O-CB 3.29Å; E2016-H2020 WeakPolarHBondContact O-CB 3.32Å; E2016-H2020 PolarHBondContact O-N 3.22Å; N2017-H2020 PolarHBondContact O-N 3.21Å; I2018-H2020 PolarHBondContact O-N 3.18Å; H2020-L2022 VanDerWaalsContact C-N 3.35Å; H2020-L2022 PolarHBondContact O-N 3.08Å; H2020-C2023 PolarHBondContact O-N 3.19Å; H2020-E2024 IonicContact CE1-OE1 3.05Å; H2020-E2024 PolarHBondContact CE1-OE1 3.07Å; H2020-E2024 IonicContact CE1-OE2 2.95Å; H2020-E2024 PolarHBondContact CE1-OE2 3.45Å; H2020-E2024 VanDerWaalsContact ND1-CD 3.3Å; H2020-E2024 IonicContact ND1-OE1 3.05Å; H2020-E2024 IonicContact ND1-OE2 3.37Å; H2020-E2024 PolarHBondContact ND1-OE2 3.3Å; H2020-E2024 VanDerWaalsContact ND1-OE2 3.15Å; H2020-E2024 IonicContact NE2-OE1 3.19Å; H2020-E2024 WeakPolarHBondContact O-CG 3.37Å; H2020-E2024 PolarHBondContact O-N 3.33Å |
| 2021 | Y | 92.8 | Very high | 91.6 | Very high | 42.5 Ų | 42.5 | 40.7 Ų | 40.7 | 17% | 0.167 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.3 | -46 | 178.7 | 174.8 | -90.6 | 0 | 0 | 0 | 111.9 | L1836 L1839 V1840 N2017 I2018 C2023 E2024 T2025 | L1836-Y2021 HydrophobicContact CD1-CD1 4.03Å; L1836-Y2021 HydrophobicContact CD1-CE1 3.65Å; L1839-Y2021 HydrophobicContact CB-CE1 4.46Å; L1839-Y2021 HydrophobicContact CB-CE2 3.88Å; L1839-Y2021 WeakPolarHBondContact CB-OH 3.35Å; V1840-Y2021 HydrophobicContact CB-CG 4.27Å; V1840-Y2021 HydrophobicContact CG2-CD1 3.6Å; V1840-Y2021 HydrophobicContact CG2-CD2 4.44Å; V1840-Y2021 HydrophobicContact CG2-CE1 4.3Å; V1840-Y2021 HydrophobicContact CG2-CG 3.71Å; N2017-Y2021 VanDerWaalsContact O-CB 3.24Å; N2017-Y2021 WeakPolarHBondContact O-CB 3.4Å; N2017-Y2021 PolarHBondContact O-N 3.26Å; I2018-Y2021 PolarHBondContact O-N 3.03Å; Y2021-C2023 VanDerWaalsContact C-N 3.29Å; Y2021-C2023 PolarHBondContact O-N 3.12Å; Y2021-E2024 PolarHBondContact O-N 3.13Å; Y2021-T2025 VanDerWaalsContact CE1-OG1 3.31Å; Y2021-T2025 WeakPolarHBondContact CE1-OG1 3.39Å; Y2021-T2025 VanDerWaalsContact CZ-OG1 3.31Å; Y2021-T2025 VanDerWaalsContact O-CB 3.3Å; Y2021-T2025 WeakPolarHBondContact O-CB 3.39Å; Y2021-T2025 PolarHBondContact O-N 3.28Å; Y2021-T2025 PolarHBondContact O-OG1 3.33Å; Y2021-T2025 VanDerWaalsContact O-OG1 3.05Å |
| 2022 | L | 93.5 | Very high | 91.1 | Very high | 45.25 Ų | 45.25 | 45.1 Ų | 45.1 | 24% | 0.237 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.7 | -40.4 | 177.8 | -68.4 | 173.4 | 0 | 0 | 0 | 111.5 | I2018 F2019 H2020 T2025 N2026 F2049 A2053 | I2018-L2022 HydrophobicContact CG2-CD1 3.82Å; I2018-L2022 HydrophobicContact CG2-CG 4.43Å; I2018-L2022 WeakPolarHBondContact O-CB 3.41Å; I2018-L2022 VanDerWaalsContact O-CG 3.32Å; I2018-L2022 WeakPolarHBondContact O-CG 3.38Å; I2018-L2022 PolarHBondContact O-N 3.27Å; F2019-L2022 PolarHBondContact O-N 3.33Å; H2020-L2022 VanDerWaalsContact C-N 3.35Å; H2020-L2022 PolarHBondContact O-N 3.08Å; L2022-T2025 PolarHBondContact O-N 2.91Å; L2022-N2026 VanDerWaalsContact O-CB 3.24Å; L2022-N2026 WeakPolarHBondContact O-CB 3.37Å; L2022-N2026 PolarHBondContact O-N 2.94Å; L2022-N2026 PolarHBondContact O-OD1 3.41Å; L2022-F2049 HydrophobicContact CD1-CD1 3.54Å; L2022-F2049 HydrophobicContact CD1-CE1 3.97Å; L2022-F2049 HydrophobicContact CD1-CG 4.21Å; L2022-A2053 HydrophobicContact CD1-CB 4.04Å |
| 2023 | C | 91.6 | Very high | 90.8 | Very high | 6 Ų | 6 | 46.9 Ų | 46.9 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 174.8 | -66.4 | 0 | 0 | 0 | 0 | 112.6 | F2019 H2020 Y2021 K2027 E2033 | F2019-C2023 PolarHBondContact O-N 3.02Å; F2019-C2023 PolarHBondContact O-SG 3.14Å; H2020-C2023 PolarHBondContact O-N 3.19Å; Y2021-C2023 VanDerWaalsContact C-N 3.29Å; Y2021-C2023 PolarHBondContact O-N 3.12Å; C2023-K2027 VanDerWaalsContact O-CB 3.3Å; C2023-K2027 WeakPolarHBondContact O-CB 3.26Å; C2023-K2027 PolarHBondContact O-N 3.24Å; C2023-K2027 VanDerWaalsContact O-N 3.12Å; C2023-E2033 VanDerWaalsContact CA-O 3.24Å; C2023-E2033 WeakPolarHBondContact CA-O 3.33Å; C2023-E2033 HydrophobicContact CB-CG 4.33Å; C2023-E2033 WeakPolarHBondContact CB-O 3.44Å; C2023-E2033 PolarHBondContact SG-O 3.33Å; C2023-E2033 VanDerWaalsContact SG-O 3.36Å |
| 2024 | E | 89.5 | Confident | 90.7 | Very high | 86.25 Ų | 86.25 | 47.6 Ų | 47.6 | 40% | 0.403 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 177 | -71.8 | -172.8 | 124.8 | 0 | 0 | 111.4 | K1842 H2020 Y2021 K2027 S2028 | K1842-E2024 IonicContact NZ-OE2 2.66Å; K1842-E2024 PolarHBondContact NZ-OE2 3.29Å; K1842-E2024 VanDerWaalsContact NZ-OE2 3.13Å; H2020-E2024 IonicContact CE1-OE1 3.05Å; H2020-E2024 PolarHBondContact CE1-OE1 3.07Å; H2020-E2024 IonicContact CE1-OE2 2.95Å; H2020-E2024 PolarHBondContact CE1-OE2 3.45Å; H2020-E2024 VanDerWaalsContact ND1-CD 3.3Å; H2020-E2024 IonicContact ND1-OE1 3.05Å; H2020-E2024 IonicContact ND1-OE2 3.37Å; H2020-E2024 PolarHBondContact ND1-OE2 3.3Å; H2020-E2024 VanDerWaalsContact ND1-OE2 3.15Å; H2020-E2024 IonicContact NE2-OE1 3.19Å; H2020-E2024 WeakPolarHBondContact O-CG 3.37Å; H2020-E2024 PolarHBondContact O-N 3.33Å; Y2021-E2024 PolarHBondContact O-N 3.13Å; E2024-K2027 PolarHBondContact O-N 3.18Å; E2024-S2028 PolarHBondContact O-N 3.26Å; E2024-S2028 VanDerWaalsContact O-N 3.1Å |
| 2025 | T | 91 | Very high | 90.4 | Very high | 28 Ų | 28 | 51.9 Ų | 51.9 | 17% | 0.172 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64 | -53.3 | -178.9 | -56.9 | 0 | 0 | 0 | 0 | 111 | Y2021 L2022 K2027 S2028 E2029 | Y2021-T2025 VanDerWaalsContact CE1-OG1 3.31Å; Y2021-T2025 WeakPolarHBondContact CE1-OG1 3.39Å; Y2021-T2025 VanDerWaalsContact CZ-OG1 3.31Å; Y2021-T2025 VanDerWaalsContact O-CB 3.3Å; Y2021-T2025 WeakPolarHBondContact O-CB 3.39Å; Y2021-T2025 PolarHBondContact O-N 3.28Å; Y2021-T2025 PolarHBondContact O-OG1 3.33Å; Y2021-T2025 VanDerWaalsContact O-OG1 3.05Å; L2022-T2025 PolarHBondContact O-N 2.91Å; T2025-K2027 VanDerWaalsContact C-N 3.28Å; T2025-K2027 PolarHBondContact O-N 3.08Å; T2025-S2028 WeakPolarHBondContact O-CA 3.39Å; T2025-S2028 WeakPolarHBondContact O-CB 3.36Å; T2025-S2028 PolarHBondContact O-N 3.1Å; T2025-S2028 PolarHBondContact O-OG 3.01Å; T2025-E2029 HydrophobicContact CG2-CG 4.46Å; T2025-E2029 WeakPolarHBondContact O-CG 3.46Å; T2025-E2029 PolarHBondContact O-N 3.21Å |
| 2026 | N | 90.6 | Very high | 90.1 | Very high | 9.5 Ų | 9.5 | 54.3 Ų | 54.3 | 5% | 0.051 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.8 | -39.6 | -179.3 | -80.4 | 8.9 | 0 | 0 | 0 | 112.2 | L2022 S2028 E2029 G2030 K2031 P2032 E2035 | L2022-N2026 VanDerWaalsContact O-CB 3.24Å; L2022-N2026 WeakPolarHBondContact O-CB 3.37Å; L2022-N2026 PolarHBondContact O-N 2.94Å; L2022-N2026 PolarHBondContact O-OD1 3.41Å; N2026-S2028 VanDerWaalsContact C-N 3.31Å; N2026-S2028 PolarHBondContact O-N 3.03Å; N2026-E2029 PolarHBondContact O-N 3.08Å; N2026-G2030 PolarHBondContact O-N 3.19Å; N2026-G2030 VanDerWaalsContact O-N 3.11Å; N2026-K2031 HydrophobicContact CB-CB 3.86Å; N2026-K2031 HydrophobicContact CB-CD 4.38Å; N2026-K2031 PolarHBondContact O-N 3.25Å; N2026-K2031 WeakPolarHBondContact OD1-CD 3.28Å; N2026-P2032 VanDerWaalsContact CB-O 3.32Å; N2026-P2032 WeakPolarHBondContact CB-O 3.3Å; N2026-P2032 PolarHBondContact ND2-O 3.11Å; N2026-E2035 WeakPolarHBondContact ND2-CB 3.46Å; N2026-E2035 PolarHBondContact ND2-OE2 3.23Å |
| 2027 | K | 86.7 | Confident | 90 | Very high | 129.5 Ų | 129.5 | 55 Ų | 55 | 56% | 0.563 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.3 | -35.9 | 174.5 | -173.1 | 176.8 | -168.3 | 145.1 | 0 | 112.8 | C2023 E2024 T2025 E2033 | C2023-K2027 VanDerWaalsContact O-CB 3.3Å; C2023-K2027 WeakPolarHBondContact O-CB 3.26Å; C2023-K2027 PolarHBondContact O-N 3.24Å; C2023-K2027 VanDerWaalsContact O-N 3.12Å; E2024-K2027 PolarHBondContact O-N 3.18Å; T2025-K2027 VanDerWaalsContact C-N 3.28Å; T2025-K2027 PolarHBondContact O-N 3.08Å; K2027-E2033 HydrophobicContact CB-CG 4.45Å; K2027-E2033 HydrophobicContact CD-CG 4.42Å; K2027-E2033 IonicContact NZ-OE1 3.15Å; K2027-E2033 PolarHBondContact NZ-OE1 3.09Å; K2027-E2033 IonicContact NZ-OE2 3.4Å; K2027-E2033 PolarHBondContact NZ-OE2 2.91Å |
| 2028 | S | 88.2 | Confident | 89.5 | Confident | 99.25 Ų | 99.25 | 62.5 Ų | 62.5 | 69% | 0.694 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -73.7 | -29.4 | 175.7 | 76.2 | 0 | 0 | 0 | 0 | 113.4 | E2024 T2025 N2026 | E2024-S2028 PolarHBondContact O-N 3.26Å; E2024-S2028 VanDerWaalsContact O-N 3.1Å; T2025-S2028 WeakPolarHBondContact O-CA 3.39Å; T2025-S2028 WeakPolarHBondContact O-CB 3.36Å; T2025-S2028 PolarHBondContact O-N 3.1Å; T2025-S2028 PolarHBondContact O-OG 3.01Å; N2026-S2028 VanDerWaalsContact C-N 3.31Å; N2026-S2028 PolarHBondContact O-N 3.03Å |
| 2029 | E | 89 | Confident | 88.9 | Confident | 112.25 Ų | 112.25 | 64.4 Ų | 64.4 | 53% | 0.525 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -86 | -4.7 | 178.3 | -67.2 | -175.9 | 174.3 | 0 | 0 | 113.8 | T2025 N2026 K2031 | T2025-E2029 HydrophobicContact CG2-CG 4.46Å; T2025-E2029 WeakPolarHBondContact O-CG 3.46Å; T2025-E2029 PolarHBondContact O-N 3.21Å; N2026-E2029 PolarHBondContact O-N 3.08Å; E2029-K2031 VanDerWaalsContact C-N 3.3Å; E2029-K2031 HydrophobicContact CB-CD 4.32Å; E2029-K2031 HydrophobicContact CB-CG 4.32Å; E2029-K2031 PolarHBondContact O-N 3.25Å; E2029-K2031 WeakPolarHBondContact OE2-CD 3.29Å; E2029-K2031 WeakPolarHBondContact OE2-CE 3.31Å; E2029-K2031 IonicContact OE2-NZ 3.22Å; E2029-K2031 PolarHBondContact OE2-NZ 3.31Å |
| 2030 | G | 83.4 | Confident | 88.3 | Confident | 72.75 Ų | 72.75 | 69.4 Ų | 69.4 | 75% | 0.75 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 15.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | N2026 | N2026-G2030 PolarHBondContact O-N 3.19Å; N2026-G2030 VanDerWaalsContact O-N 3.11Å |
| 2031 | K | 86.6 | Confident | 87.9 | Confident | 99.75 Ų | 99.75 | 68.5 Ų | 68.5 | 43% | 0.434 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -81.2 | 167.9 | 172.1 | -71.8 | 173.7 | 176.4 | 166.3 | 0 | 111.2 | N2026 E2029 E2033 | N2026-K2031 HydrophobicContact CB-CB 3.86Å; N2026-K2031 HydrophobicContact CB-CD 4.38Å; N2026-K2031 PolarHBondContact O-N 3.25Å; N2026-K2031 WeakPolarHBondContact OD1-CD 3.28Å; E2029-K2031 VanDerWaalsContact C-N 3.3Å; E2029-K2031 HydrophobicContact CB-CD 4.32Å; E2029-K2031 HydrophobicContact CB-CG 4.32Å; E2029-K2031 PolarHBondContact O-N 3.25Å; E2029-K2031 WeakPolarHBondContact OE2-CD 3.29Å; E2029-K2031 WeakPolarHBondContact OE2-CE 3.31Å; E2029-K2031 IonicContact OE2-NZ 3.22Å; E2029-K2031 PolarHBondContact OE2-NZ 3.31Å; K2031-E2033 PolarHBondContact O-N 3.14Å |
| 2032 | P | 84.8 | Confident | 87.4 | Confident | 92 Ų | 92 | 73.6 Ų | 73.6 | 60% | 0.597 | 43% | 0.433 | S | S | * | . | trans | -53.5 | 128.4 | 167.8 | -25.5 | 35.6 | 0 | 0 | 0 | 111.8 | N2026 V2034 | N2026-P2032 VanDerWaalsContact CB-O 3.32Å; N2026-P2032 WeakPolarHBondContact CB-O 3.3Å; N2026-P2032 PolarHBondContact ND2-O 3.11Å; P2032-V2034 PolarHBondContact O-N 3.13Å; P2032-V2034 VanDerWaalsContact O-N 3.14Å | ||
| 2033 | E | 87.7 | Confident | 87 | Confident | 50.75 Ų | 50.75 | 76.1 Ų | 76.1 | 24% | 0.237 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -60.8 | -25.4 | -176.3 | -178.7 | 168.6 | -175.6 | 0 | 0 | 113 | C2023 K2027 K2031 K2082 | C2023-E2033 VanDerWaalsContact CA-O 3.24Å; C2023-E2033 WeakPolarHBondContact CA-O 3.33Å; C2023-E2033 HydrophobicContact CB-CG 4.33Å; C2023-E2033 WeakPolarHBondContact CB-O 3.44Å; C2023-E2033 PolarHBondContact SG-O 3.33Å; C2023-E2033 VanDerWaalsContact SG-O 3.36Å; K2027-E2033 HydrophobicContact CB-CG 4.45Å; K2027-E2033 HydrophobicContact CD-CG 4.42Å; K2027-E2033 IonicContact NZ-OE1 3.15Å; K2027-E2033 PolarHBondContact NZ-OE1 3.09Å; K2027-E2033 IonicContact NZ-OE2 3.4Å; K2027-E2033 PolarHBondContact NZ-OE2 2.91Å; K2031-E2033 PolarHBondContact O-N 3.14Å; E2033-K2082 WeakPolarHBondContact OE1-CE 3.31Å; E2033-K2082 IonicContact OE1-NZ 3.36Å; E2033-K2082 PolarHBondContact OE1-NZ 3.08Å |
| 2034 | V | 90.7 | Very high | 86.9 | Confident | 14.25 Ų | 14.25 | 77 Ų | 77 | 9% | 0.086 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -122.5 | 118 | 163.6 | -178.3 | 0 | 0 | 0 | 0 | 107.4 | F2019 P2032 L2036 L2079 K2082 C2085 V2088 | F2019-V2034 HydrophobicContact CE2-CG1 4.45Å; F2019-V2034 HydrophobicContact CZ-CG2 4.32Å; P2032-V2034 PolarHBondContact O-N 3.13Å; P2032-V2034 VanDerWaalsContact O-N 3.14Å; V2034-L2036 HydrophobicContact CG1-CD2 3.93Å; V2034-L2036 HydrophobicContact CG1-CG 4.46Å; V2034-L2079 HydrophobicContact CG1-CD2 4.3Å; V2034-K2082 HydrophobicContact CG2-CB 3.58Å; V2034-K2082 HydrophobicContact CG2-CG 3.86Å; V2034-C2085 HydrophobicContact CB-CB 4.37Å; V2034-C2085 HydrophobicContact CG2-CB 4.09Å; V2034-V2088 HydrophobicContact CB-CG2 3.89Å; V2034-V2088 HydrophobicContact CG1-CG2 3.91Å; V2034-V2088 HydrophobicContact CG2-CG2 4.15Å |
| 2035 | E | 89.5 | Confident | 87 | Confident | 89.5 Ų | 89.5 | 74.7 Ų | 74.7 | 42% | 0.418 | 44% | 0.442 | S | S | . | . | trans | -94.6 | 115.1 | 174 | -175.3 | 178.8 | 153.3 | 0 | 0 | 108.3 | N2026 N2050 | N2026-E2035 WeakPolarHBondContact ND2-CB 3.46Å; N2026-E2035 PolarHBondContact ND2-OE2 3.23Å; E2035-N2050 PolarHBondContact OE1-ND2 3.13Å; E2035-N2050 VanDerWaalsContact OE1-ND2 3.16Å | ||
| 2036 | L | 89.1 | Confident | 87.1 | Confident | 50 Ų | 50 | 76.7 Ų | 76.7 | 26% | 0.262 | 45% | 0.448 | S | S | . | . | trans | -89.1 | 135.2 | -176.9 | -61.7 | 170.7 | 0 | 0 | 0 | 109.4 | V2034 G2087 V2088 T2091 | V2034-L2036 HydrophobicContact CG1-CD2 3.93Å; V2034-L2036 HydrophobicContact CG1-CG 4.46Å; L2036-G2087 VanDerWaalsContact CD1-C 3.48Å; L2036-V2088 HydrophobicContact CD2-CG2 4.44Å; L2036-T2091 HydrophobicContact CD2-CG2 4.24Å | ||
| 2037 | P | 90.1 | Very high | 87.3 | Confident | 24.75 Ų | 24.75 | 78.9 Ų | 78.9 | 16% | 0.161 | 46% | 0.462 | C | S | . | . | trans | -73.9 | 140.1 | -179.4 | 29.4 | -34.2 | 0 | 0 | 0 | 112 | A2039 V2047 N2050 | P2037-A2039 VanDerWaalsContact C-N 3.26Å; P2037-A2039 PolarHBondContact O-N 3.18Å; P2037-V2047 HydrophobicContact CB-CG1 3.76Å; P2037-V2047 HydrophobicContact CG-CB 4.38Å; P2037-V2047 HydrophobicContact CG-CG1 3.93Å; P2037-N2050 WeakPolarHBondContact CA-OD1 3.48Å | ||
| 2038 | D | 83 | Confident | 87.6 | Confident | 174.25 Ų | 174.25 | 73 Ų | 73 | 93% | 0.932 | 44% | 0.436 | S | S | * | . | trans | -74.3 | 68.3 | 175.4 | -75.6 | -37.7 | 0 | 0 | 0 | 111.6 | ||||
| 2039 | A | 82.7 | Confident | 87.9 | Confident | 38.75 Ų | 38.75 | 68.7 Ų | 68.7 | 32% | 0.32 | 41% | 0.405 | S | S | . | . | trans | -104.3 | 138.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P2037 A2044 V2047 | P2037-A2039 VanDerWaalsContact C-N 3.26Å; P2037-A2039 PolarHBondContact O-N 3.18Å; A2039-A2044 HydrophobicContact CB-CB 3.83Å; A2039-V2047 HydrophobicContact CB-CB 3.82Å; A2039-V2047 HydrophobicContact CB-CG1 4.29Å; A2039-V2047 HydrophobicContact CB-CG2 3.92Å | ||
| 2040 | S | 81.6 | Confident | 88.1 | Confident | 116.75 Ų | 116.75 | 66.4 Ų | 66.4 | 82% | 0.816 | 40% | 0.396 | S | S | * | . | trans | -141.2 | 152 | 179 | 60.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 2041 | G | 83.1 | Confident | 88.5 | Confident | 57 Ų | 57 | 67.5 Ų | 67.5 | 59% | 0.588 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 94 | 179.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D2043 A2044 | G2041-D2043 PolarHBondContact O-N 3.14Å; G2041-D2043 VanDerWaalsContact O-N 3.11Å; G2041-A2044 WeakPolarHBondContact O-CB 3.33Å; G2041-A2044 PolarHBondContact O-N 3.18Å; G2041-A2044 VanDerWaalsContact O-N 3.08Å |
| 2042 | D | 82 | Confident | 88.8 | Confident | 149.75 Ų | 149.75 | 64.7 Ų | 64.7 | 80% | 0.801 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -21.2 | -169.2 | -56.9 | -21.3 | 0 | 0 | 0 | 114.4 | W2045 | D2042-W2045 PolarHBondContact O-NE1 3.31Å; D2042-W2045 VanDerWaalsContact O-NE1 3.16Å |
| 2043 | D | 86.2 | Confident | 89.3 | Confident | 96.75 Ų | 96.75 | 60.4 Ų | 60.4 | 52% | 0.517 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 0.3 | 177.1 | -76.9 | -38.8 | 0 | 0 | 0 | 113.8 | G2041 W2045 K2046 | G2041-D2043 PolarHBondContact O-N 3.14Å; G2041-D2043 VanDerWaalsContact O-N 3.11Å; D2043-W2045 VanDerWaalsContact C-N 3.27Å; D2043-W2045 PolarHBondContact O-N 3.27Å; D2043-W2045 VanDerWaalsContact O-N 3.15Å; D2043-K2046 HydrophobicContact CB-CD 4.37Å; D2043-K2046 VanDerWaalsContact O-CB 3.3Å; D2043-K2046 WeakPolarHBondContact O-CB 3.27Å; D2043-K2046 PolarHBondContact O-N 3.09Å; D2043-K2046 WeakPolarHBondContact OD1-CD 3.33Å; D2043-K2046 VanDerWaalsContact OD1-CE 3.29Å; D2043-K2046 WeakPolarHBondContact OD1-CE 3.39Å; D2043-K2046 IonicContact OD1-NZ 3.15Å; D2043-K2046 PolarHBondContact OD1-NZ 3.12Å |
| 2044 | A | 88.8 | Confident | 89.6 | Confident | 26.25 Ų | 26.25 | 58.6 Ų | 58.6 | 22% | 0.217 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -58.1 | -34.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A2039 G2041 K2046 V2047 | A2039-A2044 HydrophobicContact CB-CB 3.83Å; G2041-A2044 WeakPolarHBondContact O-CB 3.33Å; G2041-A2044 PolarHBondContact O-N 3.18Å; G2041-A2044 VanDerWaalsContact O-N 3.08Å; A2044-K2046 PolarHBondContact O-N 3.28Å; A2044-K2046 VanDerWaalsContact O-N 3.13Å; A2044-V2047 PolarHBondContact O-N 3.09Å; A2044-V2047 VanDerWaalsContact O-N 3.1Å |
| 2045 | W | 91.2 | Very high | 89.7 | Confident | 36.75 Ų | 36.75 | 60.6 Ų | 60.6 | 14% | 0.139 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -67.6 | -6.2 | 177.1 | 69.3 | -81.5 | 0 | 0 | 0 | 114.6 | D2042 D2043 Y2048 I2069 A2072 L2095 N2098 | D2042-W2045 PolarHBondContact O-NE1 3.31Å; D2042-W2045 VanDerWaalsContact O-NE1 3.16Å; D2043-W2045 VanDerWaalsContact C-N 3.27Å; D2043-W2045 PolarHBondContact O-N 3.27Å; D2043-W2045 VanDerWaalsContact O-N 3.15Å; W2045-Y2048 WeakPolarHBondContact O-CE1 3.34Å; W2045-I2069 HydrophobicContact CH2-CD1 4.45Å; W2045-I2069 HydrophobicContact CZ3-CD1 4.34Å; W2045-A2072 HydrophobicContact CE3-CB 3.63Å; W2045-A2072 HydrophobicContact CZ3-CB 3.49Å; W2045-L2095 HydrophobicContact CB-CD1 4Å; W2045-L2095 HydrophobicContact CE3-CD1 4.14Å; W2045-N2098 HydrophobicContact CB-CB 4.03Å; W2045-N2098 VanDerWaalsContact CD1-CG 3.42Å; W2045-N2098 VanDerWaalsContact CD1-OD1 3.25Å; W2045-N2098 HydrophobicContact CD2-CB 3.67Å; W2045-N2098 HydrophobicContact CE3-CB 4.12Å; W2045-N2098 HydrophobicContact CG-CB 3.63Å; W2045-N2098 PolarHBondContact NE1-OD1 3.43Å |
| 2046 | K | 93.5 | Very high | 90 | Very high | 70.25 Ų | 70.25 | 56.3 Ų | 56.3 | 31% | 0.305 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -96.3 | -2.8 | 175.1 | -56.1 | 172.8 | -175.5 | 167.8 | 0 | 112.5 | D2043 A2044 Y2048 Q2054 | D2043-K2046 HydrophobicContact CB-CD 4.37Å; D2043-K2046 VanDerWaalsContact O-CB 3.3Å; D2043-K2046 WeakPolarHBondContact O-CB 3.27Å; D2043-K2046 PolarHBondContact O-N 3.09Å; D2043-K2046 WeakPolarHBondContact OD1-CD 3.33Å; D2043-K2046 VanDerWaalsContact OD1-CE 3.29Å; D2043-K2046 WeakPolarHBondContact OD1-CE 3.39Å; D2043-K2046 IonicContact OD1-NZ 3.15Å; D2043-K2046 PolarHBondContact OD1-NZ 3.12Å; A2044-K2046 PolarHBondContact O-N 3.28Å; A2044-K2046 VanDerWaalsContact O-N 3.13Å; K2046-Y2048 VanDerWaalsContact O-CE2 3.28Å; K2046-Y2048 WeakPolarHBondContact O-CE2 3.37Å; K2046-Q2054 PolarHBondContact O-NE2 3.13Å |
| 2047 | V | 94.4 | Very high | 90.3 | Very high | 55.25 Ų | 55.25 | 54 Ų | 54 | 34% | 0.335 | 32% | 0.324 | S | S | . | . | trans | -101.5 | 123.2 | 174.2 | -169.5 | 0 | 0 | 0 | 0 | 108.4 | P2037 A2039 A2044 Q2054 | P2037-V2047 HydrophobicContact CB-CG1 3.76Å; P2037-V2047 HydrophobicContact CG-CB 4.38Å; P2037-V2047 HydrophobicContact CG-CG1 3.93Å; A2039-V2047 HydrophobicContact CB-CB 3.82Å; A2039-V2047 HydrophobicContact CB-CG1 4.29Å; A2039-V2047 HydrophobicContact CB-CG2 3.92Å; A2044-V2047 PolarHBondContact O-N 3.09Å; A2044-V2047 VanDerWaalsContact O-N 3.1Å; V2047-Q2054 HydrophobicContact CG1-CG 4.46Å | ||
| 2048 | Y | 94.5 | Very high | 90.5 | Very high | 5.25 Ų | 5.25 | 55.3 Ų | 55.3 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | trans | -116.4 | -29.5 | -169.6 | -50.6 | -54.7 | 0 | 0 | 0 | 112.4 | H2015 W2045 K2046 V2057 Q2071 A2072 H2075 | H2015-Y2048 AromaticContact CE1-CD2 3.9Å; H2015-Y2048 AromaticContact CE1-CG 3.85Å; W2045-Y2048 WeakPolarHBondContact O-CE1 3.34Å; K2046-Y2048 VanDerWaalsContact O-CE2 3.28Å; K2046-Y2048 WeakPolarHBondContact O-CE2 3.37Å; Y2048-V2057 HydrophobicContact CD2-CG2 4.26Å; Y2048-Q2071 HydrophobicContact CE2-CB 3.89Å; Y2048-Q2071 VanDerWaalsContact OH-CB 3.28Å; Y2048-Q2071 WeakPolarHBondContact OH-CB 3.43Å; Y2048-A2072 HydrophobicContact CE1-CB 4.49Å; Y2048-A2072 PolarHBondContact OH-N 3.08Å; Y2048-H2075 HydrophobicContact CD1-CB 3.59Å; Y2048-H2075 AromaticContact CD1-CD2 3.72Å; Y2048-H2075 AromaticContact CD1-CG 3.48Å; Y2048-H2075 VanDerWaalsContact CD1-CG 3.48Å; Y2048-H2075 AromaticContact CD1-ND1 3.99Å; Y2048-H2075 HydrophobicContact CE1-CB 3.96Å; Y2048-H2075 HydrophobicContact CG-CB 4.22Å; Y2048-H2075 AromaticContact CG-CG 3.94Å; Y2048-H2075 PolarHBondContact O-CE1 3.12Å; Y2048-H2075 VanDerWaalsContact O-CE1 3.28Å | ||
| 2049 | F | 94.8 | Very high | 90.9 | Very high | 10.25 Ų | 10.25 | 47.6 Ų | 47.6 | 5% | 0.045 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -142.5 | 165.1 | -176.7 | -53 | -71.6 | 0 | 0 | 0 | 110.5 | H2015 I2018 F2019 L2022 A2053 Q2054 V2057 | H2015-F2049 AromaticContact CD2-CZ 3.82Å; H2015-F2049 AromaticContact CE1-CE2 3.79Å; H2015-F2049 AromaticContact NE2-CE2 3.7Å; H2015-F2049 AromaticContact NE2-CZ 3.57Å; I2018-F2049 HydrophobicContact CB-CZ 4.44Å; I2018-F2049 HydrophobicContact CG2-CD1 4.37Å; I2018-F2049 HydrophobicContact CG2-CD2 4.2Å; I2018-F2049 HydrophobicContact CG2-CE1 4.05Å; I2018-F2049 HydrophobicContact CG2-CE2 3.88Å; I2018-F2049 HydrophobicContact CG2-CG 4.44Å; I2018-F2049 HydrophobicContact CG2-CZ 3.79Å; F2019-F2049 HydrophobicContact CB-CE1 4.13Å; F2019-F2049 HydrophobicContact CB-CZ 4.09Å; F2019-F2049 AromaticContact CD2-CE1 3.96Å; F2019-F2049 HydrophobicContact CD2-CE1 4.01Å; F2019-F2049 HydrophobicContact CD2-CZ 4.45Å; L2022-F2049 HydrophobicContact CD1-CD1 3.54Å; L2022-F2049 HydrophobicContact CD1-CE1 3.97Å; L2022-F2049 HydrophobicContact CD1-CG 4.21Å; F2049-A2053 HydrophobicContact CB-CB 3.66Å; F2049-A2053 HydrophobicContact CD2-CB 4.3Å; F2049-A2053 HydrophobicContact CG-CB 4Å; F2049-Q2054 VanDerWaalsContact N-OE1 3.12Å; F2049-Q2054 WeakPolarHBondContact O-CB 3.28Å; F2049-V2057 HydrophobicContact CD2-CG2 4.33Å; F2049-V2057 HydrophobicContact CE2-CG1 4.19Å; F2049-V2057 HydrophobicContact CE2-CG2 4.48Å |
| 2050 | N | 92.4 | Very high | 91.4 | Very high | 63.5 Ų | 63.5 | 45.7 Ų | 45.7 | 34% | 0.34 | 27% | 0.273 | S | S | . | . | trans | -75.3 | 148.2 | 163.7 | -70 | -29.2 | 0 | 0 | 0 | 110.2 | E2035 P2037 A2053 Q2054 | E2035-N2050 PolarHBondContact OE1-ND2 3.13Å; E2035-N2050 VanDerWaalsContact OE1-ND2 3.16Å; P2037-N2050 WeakPolarHBondContact CA-OD1 3.48Å; N2050-A2053 WeakPolarHBondContact O-CB 3.36Å; N2050-A2053 PolarHBondContact O-N 3.08Å; N2050-A2053 VanDerWaalsContact O-N 3.11Å; N2050-Q2054 PolarHBondContact O-N 2.85Å | ||
| 2051 | P | 91 | Very high | 92 | Very high | 95 Ų | 95 | 40.3 Ų | 40.3 | 62% | 0.617 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 142.3 | 168.2 | -25.2 | 35.5 | 0 | 0 | 0 | 110.9 | ||
| 2052 | P | 93.7 | Very high | 92.2 | Very high | 41 Ų | 41 | 41.6 Ų | 41.6 | 27% | 0.266 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -85.6 | -6.8 | 10.6 | 32.6 | -35.4 | 0 | 0 | 0 | 115.2 | D1832 L1833 L1836 Q2054 D2055 I2056 | D1832-P2052 HydrophobicContact CB-CB 4.46Å; D1832-P2052 HydrophobicContact CB-CG 4.16Å; L1833-P2052 HydrophobicContact CD2-CB 3.8Å; L1833-P2052 WeakPolarHBondContact CD2-O 3.32Å; L1833-P2052 HydrophobicContact CG-CB 4.36Å; L1836-P2052 HydrophobicContact CB-CG 4.44Å; L1836-P2052 HydrophobicContact CD2-CG 3.9Å; P2052-Q2054 VanDerWaalsContact C-N 3.34Å; P2052-Q2054 PolarHBondContact O-N 3.08Å; P2052-D2055 PolarHBondContact O-N 3.09Å; P2052-I2056 WeakPolarHBondContact O-CG1 3.21Å; P2052-I2056 PolarHBondContact O-N 3.22Å |
| 2053 | A | 94.9 | Very high | 92.5 | Very high | 2.25 Ų | 2.25 | 36.5 Ų | 36.5 | 2% | 0.019 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.6 | -35.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1836 I2018 L2022 F2049 N2050 D2055 I2056 V2057 | L1836-A2053 HydrophobicContact CD2-CB 3.89Å; I2018-A2053 HydrophobicContact CG2-CB 4Å; L2022-A2053 HydrophobicContact CD1-CB 4.04Å; F2049-A2053 HydrophobicContact CB-CB 3.66Å; F2049-A2053 HydrophobicContact CD2-CB 4.3Å; F2049-A2053 HydrophobicContact CG-CB 4Å; N2050-A2053 WeakPolarHBondContact O-CB 3.36Å; N2050-A2053 PolarHBondContact O-N 3.08Å; N2050-A2053 VanDerWaalsContact O-N 3.11Å; A2053-D2055 VanDerWaalsContact C-N 3.34Å; A2053-D2055 PolarHBondContact O-N 3.09Å; A2053-I2056 PolarHBondContact O-N 3.35Å; A2053-V2057 PolarHBondContact O-N 3Å |
| 2054 | Q | 94.7 | Very high | 92.7 | Very high | 12.5 Ų | 12.5 | 32.1 Ų | 32.1 | 6% | 0.058 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.1 | -41.6 | 175.7 | -173.8 | 63.3 | 37.9 | 0 | 0 | 112.3 | K2046 V2047 F2049 N2050 P2052 I2056 V2057 N2058 | K2046-Q2054 PolarHBondContact O-NE2 3.13Å; V2047-Q2054 HydrophobicContact CG1-CG 4.46Å; F2049-Q2054 VanDerWaalsContact N-OE1 3.12Å; F2049-Q2054 WeakPolarHBondContact O-CB 3.28Å; N2050-Q2054 PolarHBondContact O-N 2.85Å; P2052-Q2054 VanDerWaalsContact C-N 3.34Å; P2052-Q2054 PolarHBondContact O-N 3.08Å; Q2054-I2056 VanDerWaalsContact C-N 3.28Å; Q2054-I2056 PolarHBondContact O-N 2.93Å; Q2054-V2057 WeakPolarHBondContact O-CG2 3.33Å; Q2054-V2057 PolarHBondContact O-N 3.16Å; Q2054-N2058 PolarHBondContact NE2-ND2 3.34Å; Q2054-N2058 PolarHBondContact NE2-OD1 2.94Å; Q2054-N2058 WeakPolarHBondContact O-CB 3.37Å; Q2054-N2058 VanDerWaalsContact O-CG 3.23Å; Q2054-N2058 PolarHBondContact O-N 2.87Å; Q2054-N2058 PolarHBondContact O-ND2 3.08Å; Q2054-N2058 PolarHBondContact O-OD1 2.99Å |
| 2055 | D | 93.2 | Very high | 92.5 | Very high | 56 Ų | 56 | 32.6 Ų | 32.6 | 30% | 0.299 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -66.8 | -33.8 | -179.3 | -58.7 | -50.4 | 0 | 0 | 0 | 111.1 | L1833 P2052 A2053 N2058 E2059 | L1833-D2055 HydrophobicContact CD2-CB 3.76Å; P2052-D2055 PolarHBondContact O-N 3.09Å; A2053-D2055 VanDerWaalsContact C-N 3.34Å; A2053-D2055 PolarHBondContact O-N 3.09Å; D2055-N2058 PolarHBondContact O-N 2.86Å; D2055-E2059 WeakPolarHBondContact O-CB 3.35Å; D2055-E2059 WeakPolarHBondContact O-CG 3.37Å; D2055-E2059 PolarHBondContact O-N 3.07Å |
| 2056 | I | 95.8 | Very high | 92.5 | Very high | 0.75 Ų | 0.75 | 31.3 Ų | 31.3 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.6 | -48.4 | 176.1 | -62.4 | 174.3 | 0 | 0 | 0 | 111.4 | T1732 L1736 L1833 L1836 L1837 L2014 I2018 P2052 A2053 Q2054 F2060 | T1732-I2056 HydrophobicContact CG2-CG2 3.66Å; L1736-I2056 HydrophobicContact CD1-CG1 4.01Å; L1736-I2056 HydrophobicContact CD1-CG2 4.33Å; L1736-I2056 HydrophobicContact CD2-CB 4.35Å; L1736-I2056 HydrophobicContact CD2-CG1 4.24Å; L1736-I2056 HydrophobicContact CD2-CG2 4.45Å; L1833-I2056 HydrophobicContact CD2-CG1 3.94Å; L1833-I2056 WeakPolarHBondContact O-CD1 3.42Å; L1836-I2056 HydrophobicContact CB-CD1 4.33Å; L1836-I2056 HydrophobicContact CD2-CD1 3.98Å; L1836-I2056 HydrophobicContact CG-CD1 4.28Å; L1837-I2056 HydrophobicContact CD1-CG2 4.4Å; L2014-I2056 HydrophobicContact CD1-CG2 4.25Å; L2014-I2056 HydrophobicContact CD2-CG2 4.34Å; I2018-I2056 HydrophobicContact CD1-CB 4.29Å; I2018-I2056 HydrophobicContact CD1-CG2 3.81Å; P2052-I2056 WeakPolarHBondContact O-CG1 3.21Å; P2052-I2056 PolarHBondContact O-N 3.22Å; A2053-I2056 PolarHBondContact O-N 3.35Å; Q2054-I2056 VanDerWaalsContact C-N 3.28Å; Q2054-I2056 PolarHBondContact O-N 2.93Å; I2056-F2060 WeakPolarHBondContact O-CB 3.42Å; I2056-F2060 PolarHBondContact O-N 3.08Å; I2056-F2060 VanDerWaalsContact O-N 3.15Å |
| 2057 | V | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72.3 | -34.8 | 179 | -64 | 0 | 0 | 0 | 0 | 112.2 | Y2011 I2018 Y2048 F2049 A2053 Q2054 A2061 | Y2011-V2057 HydrophobicContact CE2-CB 4.04Å; I2018-V2057 HydrophobicContact CD1-CG1 3.78Å; Y2048-V2057 HydrophobicContact CD2-CG2 4.26Å; F2049-V2057 HydrophobicContact CD2-CG2 4.33Å; F2049-V2057 HydrophobicContact CE2-CG1 4.19Å; F2049-V2057 HydrophobicContact CE2-CG2 4.48Å; A2053-V2057 PolarHBondContact O-N 3Å; Q2054-V2057 WeakPolarHBondContact O-CG2 3.33Å; Q2054-V2057 PolarHBondContact O-N 3.16Å; V2057-A2061 VanDerWaalsContact O-CB 3.26Å; V2057-A2061 WeakPolarHBondContact O-CB 3.32Å; V2057-A2061 PolarHBondContact O-N 3.05Å |
| 2058 | N | 93.2 | Very high | 92.2 | Very high | 52.75 Ų | 52.75 | 30.2 Ų | 30.2 | 28% | 0.282 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.6 | -51.9 | 176.4 | -76.7 | -9.2 | 0 | 0 | 0 | 111.9 | Q2054 D2055 F2060 A2061 I2062 | Q2054-N2058 PolarHBondContact NE2-ND2 3.34Å; Q2054-N2058 PolarHBondContact NE2-OD1 2.94Å; Q2054-N2058 WeakPolarHBondContact O-CB 3.37Å; Q2054-N2058 VanDerWaalsContact O-CG 3.23Å; Q2054-N2058 PolarHBondContact O-N 2.87Å; Q2054-N2058 PolarHBondContact O-ND2 3.08Å; Q2054-N2058 PolarHBondContact O-OD1 2.99Å; D2055-N2058 PolarHBondContact O-N 2.86Å; N2058-F2060 VanDerWaalsContact C-N 3.33Å; N2058-F2060 PolarHBondContact O-N 2.94Å; N2058-A2061 PolarHBondContact O-N 2.86Å; N2058-I2062 WeakPolarHBondContact O-CB 3.44Å; N2058-I2062 VanDerWaalsContact O-CG1 3.25Å; N2058-I2062 WeakPolarHBondContact O-CG1 3.31Å; N2058-I2062 PolarHBondContact O-N 2.99Å |
| 2059 | E | 91.7 | Very high | 92 | Very high | 12.25 Ų | 12.25 | 30.4 Ų | 30.4 | 6% | 0.057 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65 | -37.6 | -179.1 | -69.4 | -62.6 | 168.8 | 0 | 0 | 112.2 | L1736 P1739 I1740 S1741 R1826 D2055 R2063 | L1736-E2059 HydrophobicContact CD2-CB 4.14Å; L1736-E2059 HydrophobicContact CD2-CG 4.32Å; P1739-E2059 WeakPolarHBondContact CA-OE2 3.45Å; P1739-E2059 HydrophobicContact CB-CG 4.01Å; P1739-E2059 WeakPolarHBondContact CB-OE1 3.26Å; P1739-E2059 WeakPolarHBondContact CB-OE2 3.34Å; I1740-E2059 PolarHBondContact N-OE2 3.07Å; I1740-E2059 VanDerWaalsContact N-OE2 3.14Å; S1741-E2059 WeakPolarHBondContact CB-OE1 3.39Å; S1741-E2059 PolarHBondContact OG-OE1 3.13Å; R1826-E2059 IonicContact NH2-OE1 2.7Å; D2055-E2059 WeakPolarHBondContact O-CB 3.35Å; D2055-E2059 WeakPolarHBondContact O-CG 3.37Å; D2055-E2059 PolarHBondContact O-N 3.07Å; E2059-R2063 VanDerWaalsContact O-CB 3.23Å; E2059-R2063 WeakPolarHBondContact O-CB 3.33Å; E2059-R2063 PolarHBondContact O-N 2.92Å |
| 2060 | F | 94.3 | Very high | 92 | Very high | 0.25 Ų | 0.25 | 30.4 Ų | 30.4 | 0% | 0.001 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.8 | -48.9 | 172.8 | -167.7 | -77.8 | 0 | 0 | 0 | 110.8 | K1731 T1732 Y2007 Q2010 Y2011 L2014 I2056 N2058 R2063 Y2064 | K1731-F2060 HydrophobicContact CB-CE2 4.18Å; T1732-F2060 HydrophobicContact CG2-CD2 4.28Å; T1732-F2060 VanDerWaalsContact OG1-CD2 3.26Å; T1732-F2060 WeakPolarHBondContact OG1-CD2 3.36Å; T1732-F2060 WeakPolarHBondContact OG1-CE2 3.29Å; Y2007-F2060 HydrophobicContact CD1-CZ 4.36Å; Q2010-F2060 HydrophobicContact CB-CE1 4.33Å; Q2010-F2060 HydrophobicContact CB-CZ 3.79Å; Y2011-F2060 AromaticContact CD2-CD1 3.91Å; Y2011-F2060 HydrophobicContact CD2-CD1 3.91Å; Y2011-F2060 HydrophobicContact CD2-CE1 4.43Å; L2014-F2060 HydrophobicContact CD2-CB 3.65Å; L2014-F2060 HydrophobicContact CD2-CD1 4.25Å; L2014-F2060 HydrophobicContact CD2-CD2 3.55Å; L2014-F2060 HydrophobicContact CD2-CE2 4.26Å; L2014-F2060 HydrophobicContact CD2-CG 3.54Å; I2056-F2060 WeakPolarHBondContact O-CB 3.42Å; I2056-F2060 PolarHBondContact O-N 3.08Å; I2056-F2060 VanDerWaalsContact O-N 3.15Å; N2058-F2060 VanDerWaalsContact C-N 3.33Å; N2058-F2060 PolarHBondContact O-N 2.94Å; F2060-R2063 PolarHBondContact O-N 3.01Å; F2060-Y2064 AromaticContact CD1-CD2 3.65Å; F2060-Y2064 HydrophobicContact CD1-CD2 3.65Å; F2060-Y2064 HydrophobicContact CD1-CE2 4.41Å; F2060-Y2064 AromaticContact CD2-CD2 3.75Å; F2060-Y2064 HydrophobicContact CD2-CD2 3.75Å; F2060-Y2064 AromaticContact CD2-CE2 3.66Å; F2060-Y2064 HydrophobicContact CD2-CE2 3.66Å; F2060-Y2064 AromaticContact CE1-CD2 3.57Å; F2060-Y2064 HydrophobicContact CE1-CD2 3.57Å; F2060-Y2064 HydrophobicContact CE1-CE2 4.32Å; F2060-Y2064 HydrophobicContact CE1-CG 4.32Å; F2060-Y2064 AromaticContact CE2-CD2 3.69Å; F2060-Y2064 HydrophobicContact CE2-CD2 3.69Å; F2060-Y2064 AromaticContact CE2-CE2 3.56Å; F2060-Y2064 HydrophobicContact CE2-CE2 3.56Å; F2060-Y2064 VanDerWaalsContact CE2-CE2 3.48Å; F2060-Y2064 AromaticContact CG-CD2 3.74Å; F2060-Y2064 HydrophobicContact CG-CD2 3.74Å; F2060-Y2064 HydrophobicContact CG-CE2 4.1Å; F2060-Y2064 AromaticContact CZ-CD2 3.58Å; F2060-Y2064 HydrophobicContact CZ-CD2 3.58Å; F2060-Y2064 AromaticContact CZ-CE2 3.9Å; F2060-Y2064 HydrophobicContact CZ-CE2 3.9Å; F2060-Y2064 HydrophobicContact CZ-CG 4.47Å; F2060-Y2064 WeakPolarHBondContact O-CB 3.37Å; F2060-Y2064 VanDerWaalsContact O-CD2 3.26Å; F2060-Y2064 WeakPolarHBondContact O-CD2 3.23Å; F2060-Y2064 PolarHBondContact O-N 3.02Å |
| 2061 | A | 93.1 | Very high | 92.2 | Very high | 3.25 Ų | 3.25 | 28.1 Ų | 28.1 | 3% | 0.027 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.3 | -44.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y2011 V2057 N2058 R2063 G2065 I2066 Q2071 | Y2011-A2061 HydrophobicContact CD2-CB 4.37Å; Y2011-A2061 HydrophobicContact CE2-CB 4.05Å; V2057-A2061 VanDerWaalsContact O-CB 3.26Å; V2057-A2061 WeakPolarHBondContact O-CB 3.32Å; V2057-A2061 PolarHBondContact O-N 3.05Å; N2058-A2061 PolarHBondContact O-N 2.86Å; A2061-R2063 VanDerWaalsContact C-N 3.34Å; A2061-R2063 PolarHBondContact O-N 2.93Å; A2061-G2065 WeakPolarHBondContact O-CA 3.36Å; A2061-G2065 PolarHBondContact O-N 3.07Å; A2061-I2066 HydrophobicContact CB-CB 3.93Å; A2061-I2066 HydrophobicContact CB-CG1 4.47Å; A2061-I2066 PolarHBondContact O-N 3.23Å; A2061-Q2071 HydrophobicContact CB-CG 4.41Å |
| 2062 | I | 88 | Confident | 92.4 | Very high | 84 Ų | 84 | 23.6 Ų | 23.6 | 43% | 0.431 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -64.8 | -41 | 178.4 | -65.8 | 165 | 0 | 0 | 0 | 110.7 | I1740 N2058 | I1740-I2062 HydrophobicContact CB-CG2 3.86Å; I1740-I2062 HydrophobicContact CG2-CG2 3.73Å; N2058-I2062 WeakPolarHBondContact O-CB 3.44Å; N2058-I2062 VanDerWaalsContact O-CG1 3.25Å; N2058-I2062 WeakPolarHBondContact O-CG1 3.31Å; N2058-I2062 PolarHBondContact O-N 2.99Å |
| 2063 | R | 87.8 | Confident | 92.5 | Very high | 42.5 Ų | 42.5 | 21.7 Ų | 21.7 | 16% | 0.16 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -71.1 | -39.4 | -177.7 | -167.6 | 174.6 | -160.5 | -98.8 | 6.4 | 113.5 | Q1734 A1735 I1740 R1965 E2059 F2060 A2061 | Q1734-R2063 PolarHBondContact O-NE 3.27Å; Q1734-R2063 PolarHBondContact O-NH2 2.91Å; Q1734-R2063 VanDerWaalsContact O-NH2 3.11Å; A1735-R2063 VanDerWaalsContact CA-CD 3.42Å; A1735-R2063 HydrophobicContact CB-CB 4.4Å; A1735-R2063 VanDerWaalsContact CB-CD 3.45Å; I1740-R2063 HydrophobicContact CD1-CB 4.29Å; I1740-R2063 HydrophobicContact CD1-CG 4.18Å; I1740-R2063 HydrophobicContact CG1-CB 4.39Å; I1740-R2063 HydrophobicContact CG1-CG 4.38Å; R1965-R2063 PolarHBondContact NE-O 3.06Å; E2059-R2063 VanDerWaalsContact O-CB 3.23Å; E2059-R2063 WeakPolarHBondContact O-CB 3.33Å; E2059-R2063 PolarHBondContact O-N 2.92Å; F2060-R2063 PolarHBondContact O-N 3.01Å; A2061-R2063 VanDerWaalsContact C-N 3.34Å; A2061-R2063 PolarHBondContact O-N 2.93Å |
| 2064 | Y | 89.3 | Confident | 92.5 | Very high | 4.75 Ų | 4.75 | 21.6 Ų | 21.6 | 2% | 0.019 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -106 | 4.4 | -173.3 | -57.7 | -59.4 | 0 | 0 | 0 | 114.2 | K1731 A1735 T1966 Y2007 F2060 | K1731-Y2064 HydrophobicContact CB-CE2 4.32Å; K1731-Y2064 PolarHBondContact O-OH 3.22Å; A1735-Y2064 HydrophobicContact CB-CE2 4.13Å; T1966-Y2064 WeakPolarHBondContact CA-O 3.3Å; T1966-Y2064 VanDerWaalsContact CB-O 3.24Å; T1966-Y2064 WeakPolarHBondContact CB-O 3.36Å; Y2007-Y2064 AromaticContact CD1-CD1 3.84Å; Y2007-Y2064 HydrophobicContact CD1-CD1 3.84Å; Y2007-Y2064 HydrophobicContact CD1-CD2 4.31Å; Y2007-Y2064 HydrophobicContact CD1-CE1 4.38Å; Y2007-Y2064 AromaticContact CD1-CG 3.75Å; Y2007-Y2064 HydrophobicContact CD1-CG 3.75Å; Y2007-Y2064 HydrophobicContact CD2-CD1 4.17Å; Y2007-Y2064 HydrophobicContact CD2-CG 4.38Å; Y2007-Y2064 AromaticContact CE1-CD1 3.4Å; Y2007-Y2064 HydrophobicContact CE1-CD1 3.4Å; Y2007-Y2064 VanDerWaalsContact CE1-CD1 3.42Å; Y2007-Y2064 HydrophobicContact CE1-CD2 4.25Å; Y2007-Y2064 AromaticContact CE1-CE1 3.67Å; Y2007-Y2064 HydrophobicContact CE1-CE1 3.67Å; Y2007-Y2064 HydrophobicContact CE1-CE2 4.47Å; Y2007-Y2064 AromaticContact CE1-CG 3.8Å; Y2007-Y2064 HydrophobicContact CE1-CG 3.8Å; Y2007-Y2064 AromaticContact CE2-CD1 3.73Å; Y2007-Y2064 HydrophobicContact CE2-CD1 3.73Å; Y2007-Y2064 HydrophobicContact CE2-CE1 4.42Å; Y2007-Y2064 HydrophobicContact CE2-CG 4.39Å; Y2007-Y2064 HydrophobicContact CG-CD1 4.21Å; Y2007-Y2064 HydrophobicContact CG-CG 4.07Å; Y2007-Y2064 AromaticContact CZ-CD1 3.34Å; Y2007-Y2064 VanDerWaalsContact CZ-CD1 3.4Å; Y2007-Y2064 AromaticContact CZ-CE1 3.67Å; Y2007-Y2064 AromaticContact CZ-CG 4Å; Y2007-Y2064 WeakPolarHBondContact OH-CE1 3.34Å; F2060-Y2064 AromaticContact CD1-CD2 3.65Å; F2060-Y2064 HydrophobicContact CD1-CD2 3.65Å; F2060-Y2064 HydrophobicContact CD1-CE2 4.41Å; F2060-Y2064 AromaticContact CD2-CD2 3.75Å; F2060-Y2064 HydrophobicContact CD2-CD2 3.75Å; F2060-Y2064 AromaticContact CD2-CE2 3.66Å; F2060-Y2064 HydrophobicContact CD2-CE2 3.66Å; F2060-Y2064 AromaticContact CE1-CD2 3.57Å; F2060-Y2064 HydrophobicContact CE1-CD2 3.57Å; F2060-Y2064 HydrophobicContact CE1-CE2 4.32Å; F2060-Y2064 HydrophobicContact CE1-CG 4.32Å; F2060-Y2064 AromaticContact CE2-CD2 3.69Å; F2060-Y2064 HydrophobicContact CE2-CD2 3.69Å; F2060-Y2064 AromaticContact CE2-CE2 3.56Å; F2060-Y2064 HydrophobicContact CE2-CE2 3.56Å; F2060-Y2064 VanDerWaalsContact CE2-CE2 3.48Å; F2060-Y2064 AromaticContact CG-CD2 3.74Å; F2060-Y2064 HydrophobicContact CG-CD2 3.74Å; F2060-Y2064 HydrophobicContact CG-CE2 4.1Å; F2060-Y2064 AromaticContact CZ-CD2 3.58Å; F2060-Y2064 HydrophobicContact CZ-CD2 3.58Å; F2060-Y2064 AromaticContact CZ-CE2 3.9Å; F2060-Y2064 HydrophobicContact CZ-CE2 3.9Å; F2060-Y2064 HydrophobicContact CZ-CG 4.47Å; F2060-Y2064 WeakPolarHBondContact O-CB 3.37Å; F2060-Y2064 VanDerWaalsContact O-CD2 3.26Å; F2060-Y2064 WeakPolarHBondContact O-CD2 3.23Å; F2060-Y2064 PolarHBondContact O-N 3.02Å |
| 2065 | G | 85.8 | Confident | 92.6 | Very high | 36.75 Ų | 36.75 | 21.4 Ų | 21.4 | 38% | 0.379 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 37.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | A2061 | A2061-G2065 WeakPolarHBondContact O-CA 3.36Å; A2061-G2065 PolarHBondContact O-N 3.07Å |
| 2066 | I | 90.9 | Very high | 92.7 | Very high | 9 Ų | 9 | 18.7 Ų | 18.7 | 5% | 0.046 | 10% | 0.104 | C | C | . | . | trans | -90.3 | 113.7 | -177.8 | -49.2 | -58.5 | 0 | 0 | 0 | 110.9 | Y2011 A2061 Y2070 Q2071 | Y2011-I2066 HydrophobicContact CD1-CG2 4.22Å; Y2011-I2066 HydrophobicContact CD2-CB 4.37Å; Y2011-I2066 HydrophobicContact CD2-CG1 4.18Å; Y2011-I2066 HydrophobicContact CD2-CG2 4.18Å; Y2011-I2066 HydrophobicContact CG-CB 4.5Å; Y2011-I2066 HydrophobicContact CG-CG1 4.24Å; Y2011-I2066 HydrophobicContact CG-CG2 3.96Å; A2061-I2066 HydrophobicContact CB-CB 3.93Å; A2061-I2066 HydrophobicContact CB-CG1 4.47Å; A2061-I2066 PolarHBondContact O-N 3.23Å; I2066-Y2070 HydrophobicContact CG2-CD1 3.67Å; I2066-Y2070 HydrophobicContact CG2-CE1 4.5Å; I2066-Y2070 HydrophobicContact CG2-CG 4.2Å; I2066-Q2071 HydrophobicContact CG2-CG 3.87Å; I2066-Q2071 PolarHBondContact O-NE2 3.04Å; I2066-Q2071 VanDerWaalsContact O-NE2 3.13Å | ||
| 2067 | E | 88.1 | Confident | 92.7 | Very high | 60.75 Ų | 60.75 | 19.2 Ų | 19.2 | 28% | 0.284 | 11% | 0.107 | S | C | . | . | trans | -60 | 141.8 | -179 | 4.3 | -164.7 | -159 | 0 | 0 | 112.7 | H2008 I2069 Y2070 Q2071 N2122 | H2008-E2067 IonicContact CD2-OE1 3.45Å; H2008-E2067 IonicContact CD2-OE2 3.03Å; H2008-E2067 IonicContact CE1-OE1 2.7Å; H2008-E2067 IonicContact CE1-OE2 2.77Å; H2008-E2067 IonicContact NE2-OE1 3.69Å; H2008-E2067 PolarHBondContact NE2-OE1 3.25Å; H2008-E2067 IonicContact NE2-OE2 3.5Å; H2008-E2067 PolarHBondContact NE2-OE2 3.2Å; E2067-I2069 HydrophobicContact CB-CG2 4.16Å; E2067-I2069 HydrophobicContact CG-CG2 3.66Å; E2067-I2069 PolarHBondContact O-N 3.12Å; E2067-I2069 VanDerWaalsContact O-N 3.15Å; E2067-Y2070 WeakPolarHBondContact O-CB 3.35Å; E2067-Y2070 PolarHBondContact O-N 3.07Å; E2067-Q2071 WeakPolarHBondContact O-CG 3.34Å; E2067-Q2071 PolarHBondContact O-N 3.13Å; E2067-Q2071 VanDerWaalsContact O-N 3.1Å; E2067-N2122 VanDerWaalsContact CD-ND2 3.29Å; E2067-N2122 VanDerWaalsContact OE1-CB 3.29Å; E2067-N2122 WeakPolarHBondContact OE1-CB 3.4Å; E2067-N2122 PolarHBondContact OE1-ND2 3.17Å; E2067-N2122 PolarHBondContact OE2-ND2 3.44Å | ||
| 2068 | S | 92.6 | Very high | 92.6 | Very high | 41 Ų | 41 | 19.2 Ų | 19.2 | 29% | 0.287 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -56.9 | -32.3 | -178.8 | 52.8 | 0 | 0 | 0 | 0 | 113.4 | Y2070 Q2071 A2072 | S2068-Y2070 VanDerWaalsContact C-N 3.34Å; S2068-Y2070 PolarHBondContact O-N 2.69Å; S2068-Q2071 WeakPolarHBondContact O-CB 3.41Å; S2068-Q2071 PolarHBondContact O-N 3.03Å; S2068-A2072 WeakPolarHBondContact O-CB 3.33Å; S2068-A2072 PolarHBondContact O-N 3.04Å |
| 2069 | I | 92.1 | Very high | 92.6 | Very high | 9 Ų | 9 | 16.7 Ų | 16.7 | 5% | 0.046 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.6 | -37.4 | 175 | -168.9 | 63 | 0 | 0 | 0 | 112.4 | W2045 E2067 Q2071 A2072 M2073 I2099 F2102 Y2103 | W2045-I2069 HydrophobicContact CH2-CD1 4.45Å; W2045-I2069 HydrophobicContact CZ3-CD1 4.34Å; E2067-I2069 HydrophobicContact CB-CG2 4.16Å; E2067-I2069 HydrophobicContact CG-CG2 3.66Å; E2067-I2069 PolarHBondContact O-N 3.12Å; E2067-I2069 VanDerWaalsContact O-N 3.15Å; I2069-Q2071 VanDerWaalsContact C-N 3.34Å; I2069-A2072 PolarHBondContact O-N 2.98Å; I2069-M2073 HydrophobicContact CD1-SD 4.47Å; I2069-M2073 HydrophobicContact CG1-SD 4.07Å; I2069-M2073 WeakPolarHBondContact O-CB 3.35Å; I2069-M2073 VanDerWaalsContact O-CG 3.25Å; I2069-M2073 WeakPolarHBondContact O-CG 3.29Å; I2069-M2073 PolarHBondContact O-N 3.13Å; I2069-I2099 HydrophobicContact CD1-CB 4.28Å; I2069-I2099 HydrophobicContact CD1-CG1 3.97Å; I2069-I2099 HydrophobicContact CD1-CG2 4.19Å; I2069-F2102 HydrophobicContact CB-CD1 4.24Å; I2069-F2102 HydrophobicContact CB-CD2 4.47Å; I2069-F2102 HydrophobicContact CB-CE1 3.99Å; I2069-F2102 HydrophobicContact CB-CE2 4.33Å; I2069-F2102 HydrophobicContact CB-CG 4.45Å; I2069-F2102 HydrophobicContact CB-CZ 4.04Å; I2069-F2102 HydrophobicContact CD1-CB 3.97Å; I2069-F2102 HydrophobicContact CD1-CD1 3.81Å; I2069-F2102 HydrophobicContact CD1-CD2 4.43Å; I2069-F2102 HydrophobicContact CD1-CE1 4.41Å; I2069-F2102 HydrophobicContact CD1-CG 3.82Å; I2069-F2102 HydrophobicContact CG1-CD1 3.69Å; I2069-F2102 HydrophobicContact CG1-CE1 3.83Å; I2069-F2102 HydrophobicContact CG1-CG 4.14Å; I2069-F2102 HydrophobicContact CG1-CZ 4.37Å; I2069-F2102 HydrophobicContact CG2-CE1 3.95Å; I2069-F2102 HydrophobicContact CG2-CZ 3.95Å; I2069-Y2103 HydrophobicContact CD1-CE2 4.07Å; I2069-Y2103 HydrophobicContact CG1-CE2 3.88Å; I2069-Y2103 WeakPolarHBondContact CG1-OH 3.36Å |
| 2070 | Y | 94 | Very high | 92.8 | Very high | 10.25 Ų | 10.25 | 16.2 Ų | 16.2 | 4% | 0.04 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.6 | -39.6 | 174.5 | -173.1 | -82.5 | 0 | 0 | 0 | 111.2 | H2008 Y2011 T2012 I2066 E2067 S2068 M2073 T2074 N2122 F2123 | H2008-Y2070 HydrophobicContact CB-CE1 4.19Å; H2008-Y2070 HydrophobicContact CB-CE2 3.92Å; H2008-Y2070 AromaticContact CD2-CD1 3.83Å; H2008-Y2070 AromaticContact CD2-CD2 3.53Å; H2008-Y2070 VanDerWaalsContact CD2-CD2 3.49Å; H2008-Y2070 WeakPolarHBondContact CD2-CD2 3.33Å; H2008-Y2070 AromaticContact CD2-CE1 3.94Å; H2008-Y2070 AromaticContact CD2-CE2 3.66Å; H2008-Y2070 AromaticContact CD2-CG 3.69Å; H2008-Y2070 AromaticContact CD2-CZ 3.89Å; H2008-Y2070 AromaticContact CG-CE2 3.93Å; H2008-Y2070 WeakPolarHBondContact O-CE1 3.27Å; H2008-Y2070 PolarHBondContact O-OH 3.12Å; Y2011-Y2070 HydrophobicContact CD1-CD1 4.2Å; Y2011-Y2070 HydrophobicContact CD1-CE1 4.16Å; T2012-Y2070 WeakPolarHBondContact OG1-CE1 3.44Å; T2012-Y2070 PolarHBondContact OG1-OH 3.23Å; T2012-Y2070 VanDerWaalsContact OG1-OH 3.08Å; I2066-Y2070 HydrophobicContact CG2-CD1 3.67Å; I2066-Y2070 HydrophobicContact CG2-CE1 4.5Å; I2066-Y2070 HydrophobicContact CG2-CG 4.2Å; E2067-Y2070 WeakPolarHBondContact O-CB 3.35Å; E2067-Y2070 PolarHBondContact O-N 3.07Å; S2068-Y2070 VanDerWaalsContact C-N 3.34Å; S2068-Y2070 PolarHBondContact O-N 2.69Å; Y2070-M2073 PolarHBondContact O-N 3.5Å; Y2070-T2074 WeakPolarHBondContact CE1-OG1 3.38Å; Y2070-T2074 VanDerWaalsContact O-CB 3.3Å; Y2070-T2074 WeakPolarHBondContact O-CB 3.43Å; Y2070-T2074 PolarHBondContact O-N 3.2Å; Y2070-T2074 PolarHBondContact O-OG1 3.02Å; Y2070-N2122 HydrophobicContact CD2-CB 4.24Å; Y2070-N2122 WeakPolarHBondContact CE2-O 3.28Å; Y2070-F2123 HydrophobicContact CD2-CB 4.04Å; Y2070-F2123 HydrophobicContact CD2-CD2 4.44Å; Y2070-F2123 HydrophobicContact CE2-CB 4.15Å; Y2070-F2123 HydrophobicContact CE2-CD2 4.22Å |
| 2071 | Q | 95.8 | Very high | 92.6 | Very high | 17 Ų | 17 | 18 Ų | 18 | 8% | 0.079 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 175.1 | -57.7 | -175.3 | 53.6 | 0 | 0 | 111.2 | Y2011 Y2048 A2061 I2066 E2067 S2068 I2069 T2074 H2075 | Y2011-Q2071 HydrophobicContact CE1-CB 4.1Å; Y2011-Q2071 HydrophobicContact CE1-CG 3.92Å; Y2011-Q2071 HydrophobicContact CE2-CG 3.95Å; Y2011-Q2071 VanDerWaalsContact CZ-CG 3.49Å; Y2011-Q2071 VanDerWaalsContact OH-CB 3.31Å; Y2011-Q2071 WeakPolarHBondContact OH-CB 3.28Å; Y2011-Q2071 WeakPolarHBondContact OH-CG 3.39Å; Y2011-Q2071 PolarHBondContact OH-OE1 3.34Å; Y2048-Q2071 HydrophobicContact CE2-CB 3.89Å; Y2048-Q2071 VanDerWaalsContact OH-CB 3.28Å; Y2048-Q2071 WeakPolarHBondContact OH-CB 3.43Å; A2061-Q2071 HydrophobicContact CB-CG 4.41Å; I2066-Q2071 HydrophobicContact CG2-CG 3.87Å; I2066-Q2071 PolarHBondContact O-NE2 3.04Å; I2066-Q2071 VanDerWaalsContact O-NE2 3.13Å; E2067-Q2071 WeakPolarHBondContact O-CG 3.34Å; E2067-Q2071 PolarHBondContact O-N 3.13Å; E2067-Q2071 VanDerWaalsContact O-N 3.1Å; S2068-Q2071 WeakPolarHBondContact O-CB 3.41Å; S2068-Q2071 PolarHBondContact O-N 3.03Å; I2069-Q2071 VanDerWaalsContact C-N 3.34Å; Q2071-T2074 WeakPolarHBondContact O-CB 3.32Å; Q2071-T2074 PolarHBondContact O-N 3.2Å; Q2071-H2075 PolarHBondContact O-N 3.18Å |
| 2072 | A | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.1 | -44.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | W2045 Y2048 S2068 I2069 T2074 H2075 F2076 L2095 I2099 | W2045-A2072 HydrophobicContact CE3-CB 3.63Å; W2045-A2072 HydrophobicContact CZ3-CB 3.49Å; Y2048-A2072 HydrophobicContact CE1-CB 4.49Å; Y2048-A2072 PolarHBondContact OH-N 3.08Å; S2068-A2072 WeakPolarHBondContact O-CB 3.33Å; S2068-A2072 PolarHBondContact O-N 3.04Å; I2069-A2072 PolarHBondContact O-N 2.98Å; A2072-T2074 VanDerWaalsContact C-N 3.31Å; A2072-T2074 PolarHBondContact O-N 3.26Å; A2072-H2075 PolarHBondContact O-N 3.24Å; A2072-F2076 WeakPolarHBondContact O-CB 3.32Å; A2072-F2076 PolarHBondContact O-N 3.21Å; A2072-L2095 HydrophobicContact CB-CD1 3.89Å; A2072-I2099 HydrophobicContact CB-CD1 4.4Å; A2072-I2099 HydrophobicContact CB-CG1 4.31Å |
| 2073 | M | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.1 | -33.8 | 175.8 | -68.1 | 172.4 | 78.9 | 0 | 0 | 112 | I2069 Y2070 S2077 I2099 Y2103 F2118 F2123 F2128 | I2069-M2073 HydrophobicContact CD1-SD 4.47Å; I2069-M2073 HydrophobicContact CG1-SD 4.07Å; I2069-M2073 WeakPolarHBondContact O-CB 3.35Å; I2069-M2073 VanDerWaalsContact O-CG 3.25Å; I2069-M2073 WeakPolarHBondContact O-CG 3.29Å; I2069-M2073 PolarHBondContact O-N 3.13Å; Y2070-M2073 PolarHBondContact O-N 3.5Å; M2073-S2077 VanDerWaalsContact O-CB 3.32Å; M2073-S2077 WeakPolarHBondContact O-CB 3.42Å; M2073-S2077 PolarHBondContact O-N 3.08Å; M2073-I2099 HydrophobicContact CG-CD1 4Å; M2073-I2099 HydrophobicContact CG-CG1 4.36Å; M2073-I2099 HydrophobicContact CG-CG2 4.25Å; M2073-Y2103 HydrophobicContact SD-CE2 4.12Å; M2073-Y2103 PolarHBondContact SD-OH 2.9Å; M2073-F2118 HydrophobicContact CE-CE2 3.97Å; M2073-F2123 HydrophobicContact CB-CB 4.26Å; M2073-F2123 HydrophobicContact CB-CD1 4.44Å; M2073-F2123 HydrophobicContact CB-CD2 3.67Å; M2073-F2123 HydrophobicContact CB-CE2 4.08Å; M2073-F2123 HydrophobicContact CB-CG 3.87Å; M2073-F2123 HydrophobicContact CE-CB 3.67Å; M2073-F2123 HydrophobicContact CE-CD1 3.83Å; M2073-F2123 HydrophobicContact CE-CG 3.88Å; M2073-F2123 HydrophobicContact SD-CB 3.9Å; M2073-F2123 HydrophobicContact SD-CG 4.38Å; M2073-F2128 HydrophobicContact CB-CD2 4.21Å; M2073-F2128 HydrophobicContact CB-CE2 3.99Å; M2073-F2128 HydrophobicContact CE-CB 3.68Å; M2073-F2128 HydrophobicContact CE-CD1 3.86Å; M2073-F2128 HydrophobicContact CE-CD2 3.43Å; M2073-F2128 VanDerWaalsContact CE-CD2 3.47Å; M2073-F2128 HydrophobicContact CE-CE1 4.31Å; M2073-F2128 HydrophobicContact CE-CE2 3.95Å; M2073-F2128 HydrophobicContact CE-CG 3.38Å; M2073-F2128 VanDerWaalsContact CE-CG 3.42Å; M2073-F2128 HydrophobicContact CE-CZ 4.36Å; M2073-F2128 HydrophobicContact CG-CD2 4.25Å; M2073-F2128 HydrophobicContact CG-CE2 3.91Å; M2073-F2128 HydrophobicContact CG-CZ 4.33Å |
| 2074 | T | 95.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.2 | -44 | 172.3 | -61 | 0 | 0 | 0 | 0 | 111.7 | Y2011 T2012 H2015 Y2070 Q2071 A2072 S2077 C2078 | Y2011-T2074 HydrophobicContact CD1-CG2 4.35Å; Y2011-T2074 HydrophobicContact CE1-CG2 4.14Å; T2012-T2074 HydrophobicContact CG2-CG2 4.32Å; H2015-T2074 HydrophobicContact CB-CG2 3.9Å; Y2070-T2074 WeakPolarHBondContact CE1-OG1 3.38Å; Y2070-T2074 VanDerWaalsContact O-CB 3.3Å; Y2070-T2074 WeakPolarHBondContact O-CB 3.43Å; Y2070-T2074 PolarHBondContact O-N 3.2Å; Y2070-T2074 PolarHBondContact O-OG1 3.02Å; Q2071-T2074 WeakPolarHBondContact O-CB 3.32Å; Q2071-T2074 PolarHBondContact O-N 3.2Å; A2072-T2074 VanDerWaalsContact C-N 3.31Å; A2072-T2074 PolarHBondContact O-N 3.26Å; T2074-S2077 VanDerWaalsContact O-CB 3.31Å; T2074-S2077 WeakPolarHBondContact O-CB 3.37Å; T2074-S2077 PolarHBondContact O-N 2.96Å; T2074-C2078 PolarHBondContact O-N 3.22Å; T2074-C2078 PolarHBondContact O-SG 3.24Å |
| 2075 | H | 96.1 | Very high | 92.8 | Very high | 7.75 Ų | 7.75 | 18.8 Ų | 18.8 | 4% | 0.036 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.8 | -43.1 | 176.4 | -168.9 | 69.3 | 0 | 0 | 0 | 111.8 | H2015 Y2048 Q2071 A2072 S2077 C2078 L2079 L2095 | H2015-H2075 AromaticContact CE1-ND1 3.64Å; H2015-H2075 WeakPolarHBondContact NE2-CB 3.42Å; H2015-H2075 AromaticContact NE2-CG 3.6Å; H2015-H2075 AromaticContact NE2-ND1 2.95Å; H2015-H2075 PolarHBondContact NE2-ND1 2.98Å; Y2048-H2075 HydrophobicContact CD1-CB 3.59Å; Y2048-H2075 AromaticContact CD1-CD2 3.72Å; Y2048-H2075 AromaticContact CD1-CG 3.48Å; Y2048-H2075 VanDerWaalsContact CD1-CG 3.48Å; Y2048-H2075 AromaticContact CD1-ND1 3.99Å; Y2048-H2075 HydrophobicContact CE1-CB 3.96Å; Y2048-H2075 HydrophobicContact CG-CB 4.22Å; Y2048-H2075 AromaticContact CG-CG 3.94Å; Y2048-H2075 PolarHBondContact O-CE1 3.12Å; Y2048-H2075 VanDerWaalsContact O-CE1 3.28Å; Q2071-H2075 PolarHBondContact O-N 3.18Å; A2072-H2075 PolarHBondContact O-N 3.24Å; H2075-S2077 VanDerWaalsContact C-N 3.29Å; H2075-S2077 PolarHBondContact O-N 3.1Å; H2075-C2078 CarbonylContact O-C 3.59Å; H2075-C2078 WeakPolarHBondContact O-CA 3.35Å; H2075-C2078 VanDerWaalsContact O-CB 3.29Å; H2075-C2078 WeakPolarHBondContact O-CB 3.38Å; H2075-C2078 PolarHBondContact O-N 3.03Å; H2075-L2079 WeakPolarHBondContact O-CG 3.37Å; H2075-L2079 PolarHBondContact O-N 3.35Å; H2075-L2095 HydrophobicContact CB-CD2 4.47Å |
| 2076 | F | 96 | Very high | 93 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -56.3 | -45.1 | 172.8 | -175.6 | -92.8 | 0 | 0 | 0 | 111.2 | A2072 C2078 L2079 T2080 M2092 L2095 L2096 I2099 F2128 L2131 L2132 L2135 L2167 | A2072-F2076 WeakPolarHBondContact O-CB 3.32Å; A2072-F2076 PolarHBondContact O-N 3.21Å; F2076-C2078 VanDerWaalsContact C-N 3.31Å; F2076-C2078 PolarHBondContact O-N 3.08Å; F2076-L2079 PolarHBondContact O-N 2.83Å; F2076-T2080 HydrophobicContact CD1-CG2 4.32Å; F2076-T2080 HydrophobicContact CE1-CG2 4.13Å; F2076-T2080 VanDerWaalsContact O-CG2 3.26Å; F2076-T2080 WeakPolarHBondContact O-CG2 3.38Å; F2076-T2080 PolarHBondContact O-N 3.15Å; F2076-T2080 VanDerWaalsContact O-N 3.09Å; F2076-M2092 HydrophobicContact CD2-CB 4.45Å; F2076-M2092 HydrophobicContact CD2-CE 4.26Å; F2076-M2092 HydrophobicContact CD2-CG 4.49Å; F2076-M2092 HydrophobicContact CE1-CE 4.33Å; F2076-M2092 HydrophobicContact CE2-CB 4.04Å; F2076-M2092 HydrophobicContact CE2-CE 3.74Å; F2076-M2092 HydrophobicContact CE2-CG 4.41Å; F2076-M2092 WeakPolarHBondContact CE2-O 3.41Å; F2076-M2092 HydrophobicContact CZ-CE 3.78Å; F2076-L2095 HydrophobicContact CB-CD2 3.76Å; F2076-L2095 HydrophobicContact CB-CG 4.32Å; F2076-L2095 HydrophobicContact CD2-CB 4.45Å; F2076-L2095 HydrophobicContact CD2-CD2 4.21Å; F2076-L2095 HydrophobicContact CD2-CG 4.35Å; F2076-L2095 HydrophobicContact CG-CD2 4.46Å; F2076-L2096 HydrophobicContact CD2-CB 4.4Å; F2076-L2096 HydrophobicContact CE2-CB 3.8Å; F2076-L2096 HydrophobicContact CE2-CD1 4.42Å; F2076-L2096 HydrophobicContact CE2-CD2 4.36Å; F2076-L2096 HydrophobicContact CE2-CG 4.42Å; F2076-L2096 HydrophobicContact CZ-CB 4.36Å; F2076-L2096 HydrophobicContact CZ-CD1 4.29Å; F2076-L2096 HydrophobicContact CZ-CD2 4.14Å; F2076-L2096 HydrophobicContact CZ-CG 4.47Å; F2076-I2099 HydrophobicContact CB-CD1 4.25Å; F2076-I2099 HydrophobicContact CG-CD1 4.48Å; F2076-F2128 AromaticContact CD1-CE2 3.68Å; F2076-F2128 HydrophobicContact CD1-CE2 3.68Å; F2076-F2128 AromaticContact CD1-CZ 3.87Å; F2076-F2128 HydrophobicContact CD1-CZ 3.87Å; F2076-F2128 HydrophobicContact CE1-CE2 4.28Å; F2076-F2128 HydrophobicContact CE1-CZ 4.15Å; F2076-F2128 HydrophobicContact CG-CE2 4.35Å; F2076-F2128 HydrophobicContact CG-CZ 4.43Å; F2076-L2131 HydrophobicContact CD1-CD2 4.02Å; F2076-L2131 HydrophobicContact CE1-CD2 4.34Å; F2076-L2132 HydrophobicContact CE1-CD2 3.69Å; F2076-L2132 HydrophobicContact CZ-CD2 3.81Å; F2076-L2135 HydrophobicContact CE1-CD2 4Å; F2076-L2135 HydrophobicContact CZ-CD2 3.56Å; F2076-L2167 HydrophobicContact CE2-CD1 4.42Å |
| 2077 | S | 94.8 | Very high | 93 | Very high | 10.75 Ų | 10.75 | 21.2 Ų | 21.2 | 8% | 0.075 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.6 | -40.1 | 172.4 | -175.7 | 0 | 0 | 0 | 0 | 112.4 | R1716 M2073 T2074 H2075 T2080 | R1716-S2077 PolarHBondContact NH2-O 2.89Å; R1716-S2077 PolarHBondContact NH2-OG 3.46Å; M2073-S2077 VanDerWaalsContact O-CB 3.32Å; M2073-S2077 WeakPolarHBondContact O-CB 3.42Å; M2073-S2077 PolarHBondContact O-N 3.08Å; T2074-S2077 VanDerWaalsContact O-CB 3.31Å; T2074-S2077 WeakPolarHBondContact O-CB 3.37Å; T2074-S2077 PolarHBondContact O-N 2.96Å; H2075-S2077 VanDerWaalsContact C-N 3.29Å; H2075-S2077 PolarHBondContact O-N 3.1Å; S2077-T2080 PolarHBondContact O-N 3.28Å; S2077-T2080 PolarHBondContact O-OG1 3.09Å |
| 2078 | C | 93.9 | Very high | 93.3 | Very high | 0.25 Ų | 0.25 | 18.3 Ų | 18.3 | 0% | 0.002 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.3 | -50.9 | 173.2 | -66.5 | 0 | 0 | 0 | 0 | 112 | F2019 T2074 H2075 F2076 T2080 T2081 | F2019-C2078 HydrophobicContact CB-CB 4.29Å; F2019-C2078 HydrophobicContact CD1-CB 3.81Å; F2019-C2078 HydrophobicContact CD2-CB 3.82Å; F2019-C2078 HydrophobicContact CE1-CB 4.03Å; F2019-C2078 HydrophobicContact CE2-CB 4.06Å; F2019-C2078 HydrophobicContact CG-CB 3.7Å; F2019-C2078 HydrophobicContact CZ-CB 4.16Å; T2074-C2078 PolarHBondContact O-N 3.22Å; T2074-C2078 PolarHBondContact O-SG 3.24Å; H2075-C2078 CarbonylContact O-C 3.59Å; H2075-C2078 WeakPolarHBondContact O-CA 3.35Å; H2075-C2078 VanDerWaalsContact O-CB 3.29Å; H2075-C2078 WeakPolarHBondContact O-CB 3.38Å; H2075-C2078 PolarHBondContact O-N 3.03Å; F2076-C2078 VanDerWaalsContact C-N 3.31Å; F2076-C2078 PolarHBondContact O-N 3.08Å; C2078-T2080 VanDerWaalsContact C-N 3.26Å; C2078-T2080 PolarHBondContact O-N 3.16Å; C2078-T2081 PolarHBondContact O-N 3.19Å; C2078-T2081 VanDerWaalsContact O-N 3.09Å; C2078-T2081 PolarHBondContact O-OG1 3.09Å |
| 2079 | L | 94.7 | Very high | 93.4 | Very high | 0.25 Ų | 0.25 | 16.4 Ų | 16.4 | 0% | 0.001 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.4 | -31.4 | -179.2 | -64.8 | 175.8 | 0 | 0 | 0 | 113.3 | F2019 V2034 H2075 F2076 T2081 K2082 Y2083 V2088 T2091 M2092 L2095 | F2019-L2079 HydrophobicContact CE2-CD2 3.86Å; F2019-L2079 HydrophobicContact CZ-CD2 4.22Å; V2034-L2079 HydrophobicContact CG1-CD2 4.3Å; H2075-L2079 WeakPolarHBondContact O-CG 3.37Å; H2075-L2079 PolarHBondContact O-N 3.35Å; F2076-L2079 PolarHBondContact O-N 2.83Å; L2079-T2081 PolarHBondContact O-N 3.28Å; L2079-T2081 VanDerWaalsContact O-N 3.08Å; L2079-K2082 CarbonylContact O-C 3.58Å; L2079-K2082 PolarHBondContact O-N 3.24Å; L2079-Y2083 PolarHBondContact O-N 3.05Å; L2079-Y2083 VanDerWaalsContact O-N 3.07Å; L2079-V2088 HydrophobicContact CB-CG1 4.04Å; L2079-V2088 HydrophobicContact CD2-CG1 4.03Å; L2079-V2088 HydrophobicContact CG-CG1 4.45Å; L2079-T2091 HydrophobicContact CD1-CG2 4.11Å; L2079-M2092 HydrophobicContact CB-CE 4.39Å; L2079-M2092 HydrophobicContact CB-CG 3.57Å; L2079-M2092 HydrophobicContact CB-SD 3.76Å; L2079-M2092 HydrophobicContact CD1-CG 3.76Å; L2079-M2092 HydrophobicContact CG-CG 4.31Å; L2079-L2095 HydrophobicContact CD1-CD2 4.17Å |
| 2080 | T | 93.9 | Very high | 93.4 | Very high | 2.25 Ų | 2.25 | 17.6 Ų | 17.6 | 1% | 0.014 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -54.7 | -29.3 | 175.8 | 67 | 0 | 0 | 0 | 0 | 113.8 | F2076 S2077 C2078 K2082 Y2083 M2092 L2131 L2135 | F2076-T2080 HydrophobicContact CD1-CG2 4.32Å; F2076-T2080 HydrophobicContact CE1-CG2 4.13Å; F2076-T2080 VanDerWaalsContact O-CG2 3.26Å; F2076-T2080 WeakPolarHBondContact O-CG2 3.38Å; F2076-T2080 PolarHBondContact O-N 3.15Å; F2076-T2080 VanDerWaalsContact O-N 3.09Å; S2077-T2080 PolarHBondContact O-N 3.28Å; S2077-T2080 PolarHBondContact O-OG1 3.09Å; C2078-T2080 VanDerWaalsContact C-N 3.26Å; C2078-T2080 PolarHBondContact O-N 3.16Å; T2080-K2082 VanDerWaalsContact C-N 3.29Å; T2080-K2082 PolarHBondContact O-N 3.16Å; T2080-Y2083 VanDerWaalsContact O-CD1 3.3Å; T2080-Y2083 WeakPolarHBondContact O-CD1 3.22Å; T2080-M2092 HydrophobicContact CG2-CE 3.76Å; T2080-L2131 HydrophobicContact CG2-CD1 3.75Å; T2080-L2131 HydrophobicContact CG2-CD2 4.29Å; T2080-L2131 HydrophobicContact CG2-CG 4Å; T2080-L2135 HydrophobicContact CG2-CB 4.4Å; T2080-L2135 HydrophobicContact CG2-CD1 4.39Å; T2080-L2135 HydrophobicContact CG2-CD2 4.21Å |
| 2081 | T | 90 | Very high | 93.4 | Very high | 37.75 Ų | 37.75 | 19.2 Ų | 19.2 | 23% | 0.232 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -12 | 178.8 | 61.7 | 0 | 0 | 0 | 0 | 113.7 | N1712 R1716 C2078 L2079 | N1712-T2081 HydrophobicContact CB-CG2 4.05Å; R1716-T2081 PolarHBondContact NH2-OG1 3Å; C2078-T2081 PolarHBondContact O-N 3.19Å; C2078-T2081 VanDerWaalsContact O-N 3.09Å; C2078-T2081 PolarHBondContact O-OG1 3.09Å; L2079-T2081 PolarHBondContact O-N 3.28Å; L2079-T2081 VanDerWaalsContact O-N 3.08Å |
| 2082 | K | 91.3 | Very high | 93.4 | Very high | 51.25 Ų | 51.25 | 18.4 Ų | 18.4 | 22% | 0.223 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | 21.4 | -177.8 | -60 | -64.8 | -178.5 | -179.2 | 0 | 112.5 | F2019 E2033 V2034 L2079 T2080 M2084 C2085 | F2019-K2082 HydrophobicContact CE1-CG 3.86Å; F2019-K2082 HydrophobicContact CZ-CB 4.32Å; F2019-K2082 HydrophobicContact CZ-CG 3.92Å; E2033-K2082 WeakPolarHBondContact OE1-CE 3.31Å; E2033-K2082 IonicContact OE1-NZ 3.36Å; E2033-K2082 PolarHBondContact OE1-NZ 3.08Å; V2034-K2082 HydrophobicContact CG2-CB 3.58Å; V2034-K2082 HydrophobicContact CG2-CG 3.86Å; L2079-K2082 CarbonylContact O-C 3.58Å; L2079-K2082 PolarHBondContact O-N 3.24Å; T2080-K2082 VanDerWaalsContact C-N 3.29Å; T2080-K2082 PolarHBondContact O-N 3.16Å; K2082-M2084 PolarHBondContact O-N 2.92Å; K2082-C2085 VanDerWaalsContact O-CB 3.27Å; K2082-C2085 WeakPolarHBondContact O-CB 3.37Å; K2082-C2085 PolarHBondContact O-N 2.98Å |
| 2083 | Y | 92.1 | Very high | 93.3 | Very high | 16.25 Ų | 16.25 | 19 Ų | 19 | 6% | 0.064 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -16 | -174.7 | 79.9 | -73.2 | 0 | 0 | 0 | 115.2 | L2079 T2080 P2089 L2135 S2138 L2139 S2142 | L2079-Y2083 PolarHBondContact O-N 3.05Å; L2079-Y2083 VanDerWaalsContact O-N 3.07Å; T2080-Y2083 VanDerWaalsContact O-CD1 3.3Å; T2080-Y2083 WeakPolarHBondContact O-CD1 3.22Å; Y2083-P2089 WeakPolarHBondContact O-CD 3.44Å; Y2083-P2089 VanDerWaalsContact O-CG 3.27Å; Y2083-P2089 WeakPolarHBondContact O-CG 3.29Å; Y2083-L2135 HydrophobicContact CD2-CD1 4.43Å; Y2083-L2135 HydrophobicContact CG-CD1 4.29Å; Y2083-S2138 PolarHBondContact OH-O 3.11Å; Y2083-S2138 VanDerWaalsContact OH-O 3.11Å; Y2083-L2139 HydrophobicContact CD2-CD2 3.65Å; Y2083-L2139 HydrophobicContact CD2-CG 4.46Å; Y2083-L2139 HydrophobicContact CE2-CD2 3.92Å; Y2083-L2139 HydrophobicContact CE2-CG 4.46Å; Y2083-S2142 PolarHBondContact OH-OG 3.17Å |
| 2084 | M | 89 | Confident | 93.2 | Very high | 57.75 Ų | 57.75 | 23.4 Ų | 23.4 | 28% | 0.284 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -9.1 | 174.7 | -67.2 | -80.4 | 88.5 | 0 | 0 | 114.1 | K2082 S2142 F2150 K2157 | K2082-M2084 PolarHBondContact O-N 2.92Å; M2084-S2142 WeakPolarHBondContact CE-OG 3.32Å; M2084-S2142 PolarHBondContact SD-OG 3.17Å; M2084-S2142 VanDerWaalsContact SD-OG 3.4Å; M2084-F2150 HydrophobicContact CE-CE1 4.35Å; M2084-F2150 HydrophobicContact CE-CZ 3.8Å; M2084-K2157 PolarHBondContact O-NZ 3Å |
| 2085 | C | 90.6 | Very high | 93.2 | Very high | 25.75 Ų | 25.75 | 23.7 Ų | 23.7 | 17% | 0.174 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -71.3 | 144.5 | 174.2 | -64.4 | 0 | 0 | 0 | 0 | 110.3 | V2034 K2082 G2087 V2088 P2089 | V2034-C2085 HydrophobicContact CB-CB 4.37Å; V2034-C2085 HydrophobicContact CG2-CB 4.09Å; K2082-C2085 VanDerWaalsContact O-CB 3.27Å; K2082-C2085 WeakPolarHBondContact O-CB 3.37Å; K2082-C2085 PolarHBondContact O-N 2.98Å; C2085-G2087 PolarHBondContact O-N 3.33Å; C2085-V2088 HydrophobicContact CB-CB 4.5Å; C2085-V2088 HydrophobicContact CB-CG2 3.75Å; C2085-V2088 VanDerWaalsContact O-CB 3.32Å; C2085-V2088 WeakPolarHBondContact O-CB 3.4Å; C2085-V2088 WeakPolarHBondContact O-CG2 3.16Å; C2085-V2088 PolarHBondContact O-N 3.02Å; C2085-V2088 VanDerWaalsContact O-N 3.16Å; C2085-P2089 WeakPolarHBondContact O-CD 3.26Å |
| 2086 | T | 90.3 | Very high | 93.2 | Very high | 74.5 Ų | 74.5 | 23.3 Ų | 23.3 | 46% | 0.457 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 136.5 | -172.5 | -54.5 | 0 | 0 | 0 | 0 | 112.2 | V2088 D2156 K2157 D2160 | T2086-V2088 PolarHBondContact O-N 3.03Å; T2086-V2088 VanDerWaalsContact O-N 3.17Å; T2086-D2156 HydrophobicContact CG2-CB 4.13Å; T2086-K2157 WeakPolarHBondContact OG1-CE 3.17Å; T2086-K2157 PolarHBondContact OG1-NZ 3.12Å; T2086-D2160 VanDerWaalsContact CA-OD1 3.26Å; T2086-D2160 WeakPolarHBondContact CA-OD1 3.32Å; T2086-D2160 VanDerWaalsContact CA-OD2 3.31Å; T2086-D2160 WeakPolarHBondContact CA-OD2 3.41Å; T2086-D2160 WeakPolarHBondContact CB-OD2 3.33Å; T2086-D2160 PolarHBondContact OG1-OD2 3.37Å |
| 2087 | G | 90.9 | Very high | 93 | Very high | 21.75 Ų | 21.75 | 25.4 Ų | 25.4 | 22% | 0.224 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | -19.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | L2036 C2085 A2090 T2091 D2160 | L2036-G2087 VanDerWaalsContact CD1-C 3.48Å; C2085-G2087 PolarHBondContact O-N 3.33Å; G2087-A2090 WeakPolarHBondContact O-CB 3.37Å; G2087-A2090 PolarHBondContact O-N 3.24Å; G2087-A2090 VanDerWaalsContact O-N 3.11Å; G2087-T2091 PolarHBondContact O-N 3.04Å; G2087-T2091 PolarHBondContact O-OG1 3.23Å; G2087-D2160 PolarHBondContact N-OD1 3Å |
| 2088 | V | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.7 | -42.4 | -177.5 | 178 | 0 | 0 | 0 | 0 | 112.9 | V2034 L2036 L2079 C2085 T2086 A2090 T2091 M2092 | V2034-V2088 HydrophobicContact CB-CG2 3.89Å; V2034-V2088 HydrophobicContact CG1-CG2 3.91Å; V2034-V2088 HydrophobicContact CG2-CG2 4.15Å; L2036-V2088 HydrophobicContact CD2-CG2 4.44Å; L2079-V2088 HydrophobicContact CB-CG1 4.04Å; L2079-V2088 HydrophobicContact CD2-CG1 4.03Å; L2079-V2088 HydrophobicContact CG-CG1 4.45Å; C2085-V2088 HydrophobicContact CB-CB 4.5Å; C2085-V2088 HydrophobicContact CB-CG2 3.75Å; C2085-V2088 VanDerWaalsContact O-CB 3.32Å; C2085-V2088 WeakPolarHBondContact O-CB 3.4Å; C2085-V2088 WeakPolarHBondContact O-CG2 3.16Å; C2085-V2088 PolarHBondContact O-N 3.02Å; C2085-V2088 VanDerWaalsContact O-N 3.16Å; T2086-V2088 PolarHBondContact O-N 3.03Å; T2086-V2088 VanDerWaalsContact O-N 3.17Å; V2088-A2090 VanDerWaalsContact C-N 3.27Å; V2088-A2090 PolarHBondContact O-N 3.28Å; V2088-T2091 PolarHBondContact O-N 3.22Å; V2088-M2092 HydrophobicContact CG1-CG 3.96Å; V2088-M2092 HydrophobicContact CG1-SD 3.8Å; V2088-M2092 WeakPolarHBondContact O-CB 3.4Å; V2088-M2092 VanDerWaalsContact O-CG 3.31Å; V2088-M2092 WeakPolarHBondContact O-CG 3.45Å; V2088-M2092 PolarHBondContact O-N 3.1Å |
| 2089 | P | 94.8 | Very high | 92.9 | Very high | 1.25 Ų | 1.25 | 27.5 Ų | 27.5 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.8 | -36.3 | 176.2 | -25.9 | 34.4 | 0 | 0 | 0 | 113.8 | Y2083 C2085 M2092 S2093 L2167 | Y2083-P2089 WeakPolarHBondContact O-CD 3.44Å; Y2083-P2089 VanDerWaalsContact O-CG 3.27Å; Y2083-P2089 WeakPolarHBondContact O-CG 3.29Å; C2085-P2089 WeakPolarHBondContact O-CD 3.26Å; P2089-M2092 PolarHBondContact O-N 3.04Å; P2089-S2093 VanDerWaalsContact O-CB 3.3Å; P2089-S2093 WeakPolarHBondContact O-CB 3.39Å; P2089-S2093 PolarHBondContact O-N 3.12Å; P2089-L2167 HydrophobicContact CB-CD2 4.5Å |
| 2090 | A | 93.1 | Very high | 92.8 | Very high | 33.25 Ų | 33.25 | 27.9 Ų | 27.9 | 28% | 0.275 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -68.6 | -47.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | G2087 V2088 M2092 S2093 N2094 | G2087-A2090 WeakPolarHBondContact O-CB 3.37Å; G2087-A2090 PolarHBondContact O-N 3.24Å; G2087-A2090 VanDerWaalsContact O-N 3.11Å; V2088-A2090 VanDerWaalsContact C-N 3.27Å; V2088-A2090 PolarHBondContact O-N 3.28Å; A2090-M2092 VanDerWaalsContact C-N 3.34Å; A2090-M2092 PolarHBondContact O-N 3.18Å; A2090-S2093 WeakPolarHBondContact O-CB 3.3Å; A2090-S2093 PolarHBondContact O-N 3.01Å; A2090-N2094 PolarHBondContact O-N 3.01Å; A2090-N2094 PolarHBondContact O-ND2 3.46Å |
| 2091 | T | 93.4 | Very high | 92.6 | Very high | 45.25 Ų | 45.25 | 29.6 Ų | 29.6 | 28% | 0.278 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.9 | -42.4 | 175.1 | -59 | 0 | 0 | 0 | 0 | 111.3 | L2036 L2079 G2087 V2088 S2093 N2094 L2095 | L2036-T2091 HydrophobicContact CD2-CG2 4.24Å; L2079-T2091 HydrophobicContact CD1-CG2 4.11Å; G2087-T2091 PolarHBondContact O-N 3.04Å; G2087-T2091 PolarHBondContact O-OG1 3.23Å; V2088-T2091 PolarHBondContact O-N 3.22Å; T2091-S2093 VanDerWaalsContact C-N 3.35Å; T2091-S2093 PolarHBondContact O-N 3.31Å; T2091-N2094 PolarHBondContact O-N 3.26Å; T2091-L2095 WeakPolarHBondContact O-CB 3.29Å; T2091-L2095 PolarHBondContact O-N 3.18Å |
| 2092 | M | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.3 | -41.4 | 174.8 | -74.2 | -175.8 | 73.7 | 0 | 0 | 112.4 | F2076 L2079 T2080 V2088 P2089 A2090 L2095 L2096 L2135 L2167 | F2076-M2092 HydrophobicContact CD2-CB 4.45Å; F2076-M2092 HydrophobicContact CD2-CE 4.26Å; F2076-M2092 HydrophobicContact CD2-CG 4.49Å; F2076-M2092 HydrophobicContact CE1-CE 4.33Å; F2076-M2092 HydrophobicContact CE2-CB 4.04Å; F2076-M2092 HydrophobicContact CE2-CE 3.74Å; F2076-M2092 HydrophobicContact CE2-CG 4.41Å; F2076-M2092 WeakPolarHBondContact CE2-O 3.41Å; F2076-M2092 HydrophobicContact CZ-CE 3.78Å; L2079-M2092 HydrophobicContact CB-CE 4.39Å; L2079-M2092 HydrophobicContact CB-CG 3.57Å; L2079-M2092 HydrophobicContact CB-SD 3.76Å; L2079-M2092 HydrophobicContact CD1-CG 3.76Å; L2079-M2092 HydrophobicContact CG-CG 4.31Å; T2080-M2092 HydrophobicContact CG2-CE 3.76Å; V2088-M2092 HydrophobicContact CG1-CG 3.96Å; V2088-M2092 HydrophobicContact CG1-SD 3.8Å; V2088-M2092 WeakPolarHBondContact O-CB 3.4Å; V2088-M2092 VanDerWaalsContact O-CG 3.31Å; V2088-M2092 WeakPolarHBondContact O-CG 3.45Å; V2088-M2092 PolarHBondContact O-N 3.1Å; P2089-M2092 PolarHBondContact O-N 3.04Å; A2090-M2092 VanDerWaalsContact C-N 3.34Å; A2090-M2092 PolarHBondContact O-N 3.18Å; M2092-L2095 PolarHBondContact O-N 3.12Å; M2092-L2096 VanDerWaalsContact O-CB 3.29Å; M2092-L2096 WeakPolarHBondContact O-CB 3.35Å; M2092-L2096 PolarHBondContact O-N 3.21Å; M2092-L2135 HydrophobicContact CE-CD1 3.9Å; M2092-L2135 HydrophobicContact CE-CD2 3.5Å; M2092-L2135 VanDerWaalsContact CE-CD2 3.44Å; M2092-L2135 HydrophobicContact CE-CG 4.36Å; M2092-L2167 HydrophobicContact CB-CD1 3.91Å; M2092-L2167 HydrophobicContact CB-CD2 3.9Å; M2092-L2167 HydrophobicContact CE-CD2 4.21Å; M2092-L2167 HydrophobicContact SD-CD2 4.18Å |
| 2093 | S | 94.4 | Very high | 92.4 | Very high | 11.25 Ų | 11.25 | 28.7 Ų | 28.7 | 8% | 0.079 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.6 | -48.8 | 178.1 | -170.9 | 0 | 0 | 0 | 0 | 111.1 | P2089 A2090 T2091 L2095 L2096 A2097 D2166 L2167 S2170 | P2089-S2093 VanDerWaalsContact O-CB 3.3Å; P2089-S2093 WeakPolarHBondContact O-CB 3.39Å; P2089-S2093 PolarHBondContact O-N 3.12Å; A2090-S2093 WeakPolarHBondContact O-CB 3.3Å; A2090-S2093 PolarHBondContact O-N 3.01Å; T2091-S2093 VanDerWaalsContact C-N 3.35Å; T2091-S2093 PolarHBondContact O-N 3.31Å; S2093-L2095 VanDerWaalsContact C-N 3.34Å; S2093-L2095 PolarHBondContact O-N 3.17Å; S2093-L2096 PolarHBondContact O-N 3.04Å; S2093-A2097 WeakPolarHBondContact O-CB 3.22Å; S2093-A2097 PolarHBondContact O-N 3.32Å; S2093-D2166 PolarHBondContact OG-O 3.09Å; S2093-D2166 VanDerWaalsContact OG-O 3.08Å; S2093-L2167 PolarHBondContact OG-N 2.93Å; S2093-S2170 PolarHBondContact OG-OG 3.06Å; S2093-S2170 VanDerWaalsContact OG-OG 3.05Å |
| 2094 | N | 93.3 | Very high | 92 | Very high | 93.75 Ų | 93.75 | 29.1 Ų | 29.1 | 50% | 0.501 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.8 | -40.8 | 176.1 | -76.1 | -21.4 | 0 | 0 | 0 | 112.5 | A2090 T2091 A2097 N2098 | A2090-N2094 PolarHBondContact O-N 3.01Å; A2090-N2094 PolarHBondContact O-ND2 3.46Å; T2091-N2094 PolarHBondContact O-N 3.26Å; N2094-A2097 PolarHBondContact O-N 3.24Å; N2094-N2098 PolarHBondContact O-N 3.13Å; N2094-N2098 VanDerWaalsContact O-N 3.09Å; N2094-N2098 PolarHBondContact O-ND2 3.04Å |
| 2095 | L | 94.8 | Very high | 91.3 | Very high | 6.25 Ų | 6.25 | 33.2 Ų | 33.2 | 3% | 0.033 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.5 | -43.8 | 177.8 | -176.3 | 58 | 0 | 0 | 0 | 111.4 | W2045 A2072 H2075 F2076 L2079 T2091 M2092 S2093 A2097 N2098 I2099 | W2045-L2095 HydrophobicContact CB-CD1 4Å; W2045-L2095 HydrophobicContact CE3-CD1 4.14Å; A2072-L2095 HydrophobicContact CB-CD1 3.89Å; H2075-L2095 HydrophobicContact CB-CD2 4.47Å; F2076-L2095 HydrophobicContact CB-CD2 3.76Å; F2076-L2095 HydrophobicContact CB-CG 4.32Å; F2076-L2095 HydrophobicContact CD2-CB 4.45Å; F2076-L2095 HydrophobicContact CD2-CD2 4.21Å; F2076-L2095 HydrophobicContact CD2-CG 4.35Å; F2076-L2095 HydrophobicContact CG-CD2 4.46Å; L2079-L2095 HydrophobicContact CD1-CD2 4.17Å; T2091-L2095 WeakPolarHBondContact O-CB 3.29Å; T2091-L2095 PolarHBondContact O-N 3.18Å; M2092-L2095 PolarHBondContact O-N 3.12Å; S2093-L2095 VanDerWaalsContact C-N 3.34Å; S2093-L2095 PolarHBondContact O-N 3.17Å; L2095-A2097 VanDerWaalsContact C-N 3.34Å; L2095-A2097 PolarHBondContact O-N 2.96Å; L2095-N2098 PolarHBondContact O-N 3.04Å; L2095-I2099 HydrophobicContact CD1-CD1 4.41Å; L2095-I2099 HydrophobicContact CG-CD1 4.11Å; L2095-I2099 VanDerWaalsContact O-CG1 3.29Å; L2095-I2099 WeakPolarHBondContact O-CG1 3.43Å; L2095-I2099 PolarHBondContact O-N 3.24Å |
| 2096 | L | 95.4 | Very high | 89.9 | Confident | 0.25 Ų | 0.25 | 34.4 Ų | 34.4 | 0% | 0.001 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.7 | -36 | 176 | -173 | 59.2 | 0 | 0 | 0 | 112 | F2076 M2092 S2093 N2098 I2099 N2100 F2128 L2132 L2167 I2171 F2174 | F2076-L2096 HydrophobicContact CD2-CB 4.4Å; F2076-L2096 HydrophobicContact CE2-CB 3.8Å; F2076-L2096 HydrophobicContact CE2-CD1 4.42Å; F2076-L2096 HydrophobicContact CE2-CD2 4.36Å; F2076-L2096 HydrophobicContact CE2-CG 4.42Å; F2076-L2096 HydrophobicContact CZ-CB 4.36Å; F2076-L2096 HydrophobicContact CZ-CD1 4.29Å; F2076-L2096 HydrophobicContact CZ-CD2 4.14Å; F2076-L2096 HydrophobicContact CZ-CG 4.47Å; M2092-L2096 VanDerWaalsContact O-CB 3.29Å; M2092-L2096 WeakPolarHBondContact O-CB 3.35Å; M2092-L2096 PolarHBondContact O-N 3.21Å; S2093-L2096 PolarHBondContact O-N 3.04Å; L2096-N2098 VanDerWaalsContact C-N 3.34Å; L2096-N2098 PolarHBondContact O-N 3.35Å; L2096-I2099 PolarHBondContact O-N 3.15Å; L2096-N2100 VanDerWaalsContact O-CB 3.24Å; L2096-N2100 WeakPolarHBondContact O-CB 3.33Å; L2096-N2100 PolarHBondContact O-N 3.1Å; L2096-F2128 HydrophobicContact CD1-CE1 4Å; L2096-F2128 HydrophobicContact CD1-CZ 4Å; L2096-L2132 HydrophobicContact CD1-CD2 3.98Å; L2096-L2132 HydrophobicContact CD2-CD2 3.92Å; L2096-L2167 HydrophobicContact CD2-CD1 4.32Å; L2096-I2171 HydrophobicContact CD2-CB 4.39Å; L2096-I2171 HydrophobicContact CD2-CG1 3.65Å; L2096-F2174 HydrophobicContact CD1-CB 4.45Å; L2096-F2174 HydrophobicContact CD1-CD2 3.93Å; L2096-F2174 HydrophobicContact CD1-CE2 4.45Å; L2096-F2174 HydrophobicContact CD1-CG 4.26Å |
| 2097 | A | 93 | Very high | 88.2 | Confident | 44.25 Ų | 44.25 | 34.1 Ų | 34.1 | 37% | 0.366 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.1 | -38.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S2093 N2094 L2095 N2100 A2101 | S2093-A2097 WeakPolarHBondContact O-CB 3.22Å; S2093-A2097 PolarHBondContact O-N 3.32Å; N2094-A2097 PolarHBondContact O-N 3.24Å; L2095-A2097 VanDerWaalsContact C-N 3.34Å; L2095-A2097 PolarHBondContact O-N 2.96Å; A2097-N2100 WeakPolarHBondContact O-CB 3.38Å; A2097-N2100 PolarHBondContact O-N 3.11Å; A2097-A2101 WeakPolarHBondContact O-CB 3.3Å; A2097-A2101 PolarHBondContact O-N 3.12Å |
| 2098 | N | 93.1 | Very high | 86.4 | Confident | 54.75 Ų | 54.75 | 38.6 Ų | 38.6 | 29% | 0.293 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -70.7 | -41.3 | 174.4 | -79.4 | -79.3 | 0 | 0 | 0 | 112.5 | W2045 N2094 L2095 L2096 N2100 A2101 F2102 | W2045-N2098 HydrophobicContact CB-CB 4.03Å; W2045-N2098 VanDerWaalsContact CD1-CG 3.42Å; W2045-N2098 VanDerWaalsContact CD1-OD1 3.25Å; W2045-N2098 HydrophobicContact CD2-CB 3.67Å; W2045-N2098 HydrophobicContact CE3-CB 4.12Å; W2045-N2098 HydrophobicContact CG-CB 3.63Å; W2045-N2098 PolarHBondContact NE1-OD1 3.43Å; N2094-N2098 PolarHBondContact O-N 3.13Å; N2094-N2098 VanDerWaalsContact O-N 3.09Å; N2094-N2098 PolarHBondContact O-ND2 3.04Å; L2095-N2098 PolarHBondContact O-N 3.04Å; L2096-N2098 VanDerWaalsContact C-N 3.34Å; L2096-N2098 PolarHBondContact O-N 3.35Å; N2098-N2100 VanDerWaalsContact C-N 3.29Å; N2098-N2100 PolarHBondContact O-N 3.12Å; N2098-A2101 PolarHBondContact O-N 3.31Å; N2098-F2102 WeakPolarHBondContact O-CB 3.46Å; N2098-F2102 PolarHBondContact O-N 3.37Å |
| 2099 | I | 93.6 | Very high | 84.6 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 172.2 | -68 | 165.2 | 0 | 0 | 0 | 110.4 | I2069 A2072 M2073 F2076 L2095 L2096 F2102 Y2103 F2128 F2174 | I2069-I2099 HydrophobicContact CD1-CB 4.28Å; I2069-I2099 HydrophobicContact CD1-CG1 3.97Å; I2069-I2099 HydrophobicContact CD1-CG2 4.19Å; A2072-I2099 HydrophobicContact CB-CD1 4.4Å; A2072-I2099 HydrophobicContact CB-CG1 4.31Å; M2073-I2099 HydrophobicContact CG-CD1 4Å; M2073-I2099 HydrophobicContact CG-CG1 4.36Å; M2073-I2099 HydrophobicContact CG-CG2 4.25Å; F2076-I2099 HydrophobicContact CB-CD1 4.25Å; F2076-I2099 HydrophobicContact CG-CD1 4.48Å; L2095-I2099 HydrophobicContact CD1-CD1 4.41Å; L2095-I2099 HydrophobicContact CG-CD1 4.11Å; L2095-I2099 VanDerWaalsContact O-CG1 3.29Å; L2095-I2099 WeakPolarHBondContact O-CG1 3.43Å; L2095-I2099 PolarHBondContact O-N 3.24Å; L2096-I2099 PolarHBondContact O-N 3.15Å; I2099-F2102 WeakPolarHBondContact O-CB 3.36Å; I2099-F2102 PolarHBondContact O-N 3.16Å; I2099-Y2103 HydrophobicContact CG2-CD2 4.21Å; I2099-Y2103 HydrophobicContact CG2-CE2 4.09Å; I2099-Y2103 VanDerWaalsContact O-CD2 3.28Å; I2099-Y2103 WeakPolarHBondContact O-CD2 3.29Å; I2099-Y2103 PolarHBondContact O-N 3.05Å; I2099-F2128 HydrophobicContact CD1-CZ 4.11Å; I2099-F2128 HydrophobicContact CG2-CE1 4.22Å; I2099-F2128 HydrophobicContact CG2-CZ 4.17Å; I2099-F2174 HydrophobicContact CG2-CE2 4.11Å |
| 2100 | N | 92.4 | Very high | 82.9 | Confident | 9 Ų | 9 | 43.8 Ų | 43.8 | 5% | 0.048 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62 | -49.6 | 174.6 | 179.7 | 79.6 | 0 | 0 | 0 | 111.6 | L2096 A2097 N2098 F2102 Y2103 A2104 F2173 F2174 V2178 | L2096-N2100 VanDerWaalsContact O-CB 3.24Å; L2096-N2100 WeakPolarHBondContact O-CB 3.33Å; L2096-N2100 PolarHBondContact O-N 3.1Å; A2097-N2100 WeakPolarHBondContact O-CB 3.38Å; A2097-N2100 PolarHBondContact O-N 3.11Å; N2098-N2100 VanDerWaalsContact C-N 3.29Å; N2098-N2100 PolarHBondContact O-N 3.12Å; N2100-F2102 VanDerWaalsContact C-N 3.28Å; N2100-F2102 PolarHBondContact O-N 3.08Å; N2100-Y2103 PolarHBondContact O-N 3.1Å; N2100-A2104 WeakPolarHBondContact O-CB 3.39Å; N2100-A2104 PolarHBondContact O-N 3.19Å; N2100-F2173 WeakPolarHBondContact ND2-CD1 3.31Å; N2100-F2173 WeakPolarHBondContact ND2-CE1 3.33Å; N2100-F2174 HydrophobicContact CB-CD2 4.05Å; N2100-F2174 WeakPolarHBondContact OD1-CA 3.41Å; N2100-V2178 WeakPolarHBondContact OD1-CG2 3.4Å |
| 2101 | A | 90.3 | Very high | 81.5 | Confident | 37 Ų | 37 | 46.1 Ų | 46.1 | 31% | 0.306 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.1 | -37.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A2097 N2098 A2104 H2105 | A2097-A2101 WeakPolarHBondContact O-CB 3.3Å; A2097-A2101 PolarHBondContact O-N 3.12Å; N2098-A2101 PolarHBondContact O-N 3.31Å; A2101-A2104 PolarHBondContact O-N 2.86Å; A2101-H2105 WeakPolarHBondContact O-CB 3.32Å; A2101-H2105 PolarHBondContact O-CD2 2.99Å; A2101-H2105 PolarHBondContact O-N 3.16Å |
| 2102 | F | 88.9 | Confident | 80.4 | Confident | 61.5 Ų | 61.5 | 44.8 Ų | 44.8 | 27% | 0.27 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.5 | -55.5 | 174.5 | -175.5 | -89.5 | 0 | 0 | 0 | 111.5 | I2069 N2098 I2099 N2100 A2104 H2105 T2106 | I2069-F2102 HydrophobicContact CB-CD1 4.24Å; I2069-F2102 HydrophobicContact CB-CD2 4.47Å; I2069-F2102 HydrophobicContact CB-CE1 3.99Å; I2069-F2102 HydrophobicContact CB-CE2 4.33Å; I2069-F2102 HydrophobicContact CB-CG 4.45Å; I2069-F2102 HydrophobicContact CB-CZ 4.04Å; I2069-F2102 HydrophobicContact CD1-CB 3.97Å; I2069-F2102 HydrophobicContact CD1-CD1 3.81Å; I2069-F2102 HydrophobicContact CD1-CD2 4.43Å; I2069-F2102 HydrophobicContact CD1-CE1 4.41Å; I2069-F2102 HydrophobicContact CD1-CG 3.82Å; I2069-F2102 HydrophobicContact CG1-CD1 3.69Å; I2069-F2102 HydrophobicContact CG1-CE1 3.83Å; I2069-F2102 HydrophobicContact CG1-CG 4.14Å; I2069-F2102 HydrophobicContact CG1-CZ 4.37Å; I2069-F2102 HydrophobicContact CG2-CE1 3.95Å; I2069-F2102 HydrophobicContact CG2-CZ 3.95Å; N2098-F2102 WeakPolarHBondContact O-CB 3.46Å; N2098-F2102 PolarHBondContact O-N 3.37Å; I2099-F2102 WeakPolarHBondContact O-CB 3.36Å; I2099-F2102 PolarHBondContact O-N 3.16Å; N2100-F2102 VanDerWaalsContact C-N 3.28Å; N2100-F2102 PolarHBondContact O-N 3.08Å; F2102-A2104 VanDerWaalsContact C-N 3.29Å; F2102-A2104 PolarHBondContact O-N 3.09Å; F2102-H2105 PolarHBondContact O-N 2.67Å; F2102-T2106 HydrophobicContact CD1-CG2 4.29Å; F2102-T2106 HydrophobicContact CD2-CG2 3.99Å; F2102-T2106 HydrophobicContact CE1-CG2 4.38Å; F2102-T2106 HydrophobicContact CE2-CG2 4.07Å; F2102-T2106 HydrophobicContact CG-CG2 4.19Å; F2102-T2106 HydrophobicContact CZ-CG2 4.32Å; F2102-T2106 VanDerWaalsContact O-CB 3.24Å; F2102-T2106 WeakPolarHBondContact O-CB 3.44Å; F2102-T2106 WeakPolarHBondContact O-CG2 3.4Å; F2102-T2106 PolarHBondContact O-N 3.05Å; F2102-T2106 PolarHBondContact O-OG1 3.23Å; F2102-T2106 VanDerWaalsContact O-OG1 3.05Å |
| 2103 | Y | 88.7 | Confident | 79.7 | Confident | 9.5 Ų | 9.5 | 46.6 Ų | 46.6 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -74.2 | -29.2 | -178.2 | -68 | -69.4 | 0 | 0 | 0 | 113.8 | I2069 M2073 I2099 N2100 R2117 F2118 S2121 V2178 | I2069-Y2103 HydrophobicContact CD1-CE2 4.07Å; I2069-Y2103 HydrophobicContact CG1-CE2 3.88Å; I2069-Y2103 WeakPolarHBondContact CG1-OH 3.36Å; M2073-Y2103 HydrophobicContact SD-CE2 4.12Å; M2073-Y2103 PolarHBondContact SD-OH 2.9Å; I2099-Y2103 HydrophobicContact CG2-CD2 4.21Å; I2099-Y2103 HydrophobicContact CG2-CE2 4.09Å; I2099-Y2103 VanDerWaalsContact O-CD2 3.28Å; I2099-Y2103 WeakPolarHBondContact O-CD2 3.29Å; I2099-Y2103 PolarHBondContact O-N 3.05Å; N2100-Y2103 PolarHBondContact O-N 3.1Å; Y2103-R2117 HydrophobicContact CD1-CB 4.43Å; Y2103-R2117 WeakPolarHBondContact CE1-O 3.46Å; Y2103-R2117 PolarHBondContact O-NE 3.07Å; Y2103-R2117 VanDerWaalsContact O-NE 3.14Å; Y2103-R2117 PolarHBondContact O-NH1 2.81Å; Y2103-R2117 PolarHBondContact O-NH2 3.15Å; Y2103-F2118 HydrophobicContact CD1-CB 4.01Å; Y2103-F2118 HydrophobicContact CD1-CD2 4.38Å; Y2103-F2118 AromaticContact CD2-CD2 3.88Å; Y2103-F2118 HydrophobicContact CD2-CD2 3.95Å; Y2103-F2118 HydrophobicContact CD2-CE2 4.48Å; Y2103-F2118 HydrophobicContact CE1-CB 4.47Å; Y2103-F2118 HydrophobicContact CE1-CD2 4.29Å; Y2103-F2118 AromaticContact CE2-CD2 3.84Å; Y2103-F2118 HydrophobicContact CE2-CD2 3.84Å; Y2103-F2118 HydrophobicContact CE2-CE2 4.36Å; Y2103-F2118 HydrophobicContact CG-CB 4.11Å; Y2103-F2118 HydrophobicContact CG-CD2 4.23Å; Y2103-F2118 AromaticContact CZ-CD2 3.93Å; Y2103-S2121 VanDerWaalsContact OH-CB 3.24Å; Y2103-S2121 WeakPolarHBondContact OH-CB 3.3Å; Y2103-S2121 PolarHBondContact OH-OG 3.01Å; Y2103-V2178 HydrophobicContact CD2-CG1 4.35Å; Y2103-V2178 HydrophobicContact CG-CG1 4.35Å |
| 2104 | A | 83.6 | Confident | 79.2 | Confident | 23.25 Ų | 23.25 | 46.3 Ų | 46.3 | 19% | 0.192 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -77.2 | -36.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | N2100 A2101 F2102 R2117 V2178 | N2100-A2104 WeakPolarHBondContact O-CB 3.39Å; N2100-A2104 PolarHBondContact O-N 3.19Å; A2101-A2104 PolarHBondContact O-N 2.86Å; F2102-A2104 VanDerWaalsContact C-N 3.29Å; F2102-A2104 PolarHBondContact O-N 3.09Å; A2104-R2117 VanDerWaalsContact C-NH2 3.3Å; A2104-R2117 PolarHBondContact O-NH2 3.25Å; A2104-V2178 HydrophobicContact CB-CG2 4.27Å |
| 2105 | H | 73.2 | Confident | 78.8 | Confident | 144 Ų | 144 | 42.8 Ų | 42.8 | 67% | 0.667 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -117.2 | -2.8 | -167.8 | -56.7 | -55.8 | 0 | 0 | 0 | 115.8 | A2101 F2102 S2107 | A2101-H2105 WeakPolarHBondContact O-CB 3.32Å; A2101-H2105 PolarHBondContact O-CD2 2.99Å; A2101-H2105 PolarHBondContact O-N 3.16Å; F2102-H2105 PolarHBondContact O-N 2.67Å; H2105-S2107 PolarHBondContact O-N 3.12Å; H2105-S2107 VanDerWaalsContact O-N 3.08Å |
| 2106 | T | 62 | Low | 78.2 | Confident | 52.25 Ų | 52.25 | 45.3 Ų | 45.3 | 32% | 0.321 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -67.9 | 106.7 | -179.9 | -8.9 | 0 | 0 | 0 | 0 | 112.2 | F2102 R2117 | F2102-T2106 HydrophobicContact CD1-CG2 4.29Å; F2102-T2106 HydrophobicContact CD2-CG2 3.99Å; F2102-T2106 HydrophobicContact CE1-CG2 4.38Å; F2102-T2106 HydrophobicContact CE2-CG2 4.07Å; F2102-T2106 HydrophobicContact CG-CG2 4.19Å; F2102-T2106 HydrophobicContact CZ-CG2 4.32Å; F2102-T2106 VanDerWaalsContact O-CB 3.24Å; F2102-T2106 WeakPolarHBondContact O-CB 3.44Å; F2102-T2106 WeakPolarHBondContact O-CG2 3.4Å; F2102-T2106 PolarHBondContact O-N 3.05Å; F2102-T2106 PolarHBondContact O-OG1 3.23Å; F2102-T2106 VanDerWaalsContact O-OG1 3.05Å; T2106-R2117 PolarHBondContact O-NH1 3.04Å |
| 2107 | S | 54.6 | Low | 77.6 | Confident | 67.75 Ų | 67.75 | 47.2 Ų | 47.2 | 47% | 0.474 | 30% | 0.297 | S | S | . | . | trans | 65 | 98 | 174.1 | -54 | 0 | 0 | 0 | 0 | 115.5 | H2105 S2109 S2110 | H2105-S2107 PolarHBondContact O-N 3.12Å; H2105-S2107 VanDerWaalsContact O-N 3.08Å; S2107-S2109 PolarHBondContact O-N 3.04Å; S2107-S2110 WeakPolarHBondContact O-CB 3.42Å; S2107-S2110 PolarHBondContact O-N 3.25Å; S2107-S2110 VanDerWaalsContact O-N 3.11Å; S2107-S2110 PolarHBondContact O-OG 3.22Å | ||
| 2108 | A | 51.7 | Low | 77.4 | Confident | 116.25 Ų | 116.25 | 45.1 Ų | 45.1 | 96% | 0.961 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 1.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 2109 | S | 56.7 | Low | 77 | Confident | 81.75 Ų | 81.75 | 44.6 Ų | 44.6 | 57% | 0.572 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 3.3 | 172 | 63.3 | 0 | 0 | 0 | 0 | 113.7 | S2107 | S2107-S2109 PolarHBondContact O-N 3.04Š|
| 2110 | S | 59.8 | Low | 76.4 | Confident | 27.5 Ų | 27.5 | 45.1 Ų | 45.1 | 19% | 0.192 | 29% | 0.285 | C | S | . | . | trans | -84 | 131.5 | 171 | 124 | 0 | 0 | 0 | 0 | 109.9 | S1987 S2107 Q2112 R2117 | S1987-S2110 WeakPolarHBondContact OG-CA 3.38Å; S2107-S2110 WeakPolarHBondContact O-CB 3.42Å; S2107-S2110 PolarHBondContact O-N 3.25Å; S2107-S2110 VanDerWaalsContact O-N 3.11Å; S2107-S2110 PolarHBondContact O-OG 3.22Å; S2110-Q2112 PolarHBondContact O-N 3.21Å; S2110-Q2112 WeakPolarHBondContact OG-CB 3.32Å; S2110-Q2112 PolarHBondContact OG-N 2.99Å; S2110-R2117 PolarHBondContact OG-NH1 2.91Å | ||
| 2111 | S | 63.6 | Low | 76.1 | Confident | 82.75 Ų | 82.75 | 45.2 Ų | 45.2 | 58% | 0.579 | 29% | 0.286 | S | S | * | . | trans | -75 | -4.4 | 173.3 | 44.8 | 0 | 0 | 0 | 0 | 113.7 | G1879 S1987 | G1879-S2111 PolarHBondContact O-OG 2.97Å; S1987-S2111 PolarHBondContact OG-N 3.38Å; S1987-S2111 PolarHBondContact OG-OG 3.03Å | ||
| 2112 | Q | 70.2 | Confident | 76 | Confident | 17.5 Ų | 17.5 | 45.1 Ų | 45.1 | 8% | 0.082 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -85.4 | 149 | -173.2 | -62.5 | -179.1 | -58.5 | 0 | 0 | 113.3 | Q1878 S2110 E2116 R2117 | Q1878-Q2112 PolarHBondContact O-NE2 3.09Å; S2110-Q2112 PolarHBondContact O-N 3.21Å; S2110-Q2112 WeakPolarHBondContact OG-CB 3.32Å; S2110-Q2112 PolarHBondContact OG-N 2.99Å; Q2112-E2116 VanDerWaalsContact CA-OE2 3.32Å; Q2112-E2116 WeakPolarHBondContact CA-OE2 3.3Å; Q2112-E2116 HydrophobicContact CB-CB 4.17Å; Q2112-E2116 WeakPolarHBondContact CB-OE2 3.32Å; Q2112-R2117 HydrophobicContact CB-CG 4Å; Q2112-R2117 PolarHBondContact O-NH1 3.19Å |
| 2113 | S | 80 | Confident | 76 | Confident | 37.5 Ų | 37.5 | 42.7 Ų | 42.7 | 26% | 0.262 | 27% | 0.27 | S | S | . | . | trans | -67.6 | 164.5 | 167.3 | 97.1 | 0 | 0 | 0 | 0 | 112.1 | S2115 E2116 R2117 E2180 | S2113-S2115 VanDerWaalsContact C-N 3.31Å; S2113-S2115 PolarHBondContact O-N 3.13Å; S2113-S2115 PolarHBondContact OG-N 3.23Å; S2113-S2115 VanDerWaalsContact OG-N 3.12Å; S2113-E2116 WeakPolarHBondContact CB-OE2 3.29Å; S2113-E2116 PolarHBondContact N-OE2 3.25Å; S2113-E2116 PolarHBondContact O-N 3.32Å; S2113-E2116 VanDerWaalsContact OG-CB 3.32Å; S2113-E2116 WeakPolarHBondContact OG-CB 3.33Å; S2113-E2116 WeakPolarHBondContact OG-CG 3.21Å; S2113-E2116 PolarHBondContact OG-N 3.06Å; S2113-E2116 VanDerWaalsContact OG-N 3.12Å; S2113-E2116 PolarHBondContact OG-OE2 2.69Å; S2113-R2117 WeakPolarHBondContact O-CG 3.45Å; S2113-R2117 PolarHBondContact O-N 3Å; S2113-R2117 VanDerWaalsContact O-N 3.13Å; S2113-E2180 WeakPolarHBondContact CB-OE1 3.37Å; S2113-E2180 VanDerWaalsContact CB-OE2 3.28Å; S2113-E2180 WeakPolarHBondContact CB-OE2 3.39Å; S2113-E2180 PolarHBondContact OG-OE1 3.39Å; S2113-E2180 PolarHBondContact OG-OE2 3.28Å | ||
| 2114 | A | 83.9 | Confident | 75.9 | Confident | 6 Ų | 6 | 43.5 Ų | 43.5 | 5% | 0.05 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.3 | -35.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E2116 R2117 F2118 K2177 V2178 E2180 | A2114-E2116 VanDerWaalsContact C-N 3.32Å; A2114-E2116 PolarHBondContact O-N 3.12Å; A2114-R2117 PolarHBondContact O-N 3.03Å; A2114-F2118 VanDerWaalsContact O-CB 3.3Å; A2114-F2118 WeakPolarHBondContact O-CB 3.38Å; A2114-F2118 PolarHBondContact O-N 3.16Å; A2114-K2177 VanDerWaalsContact CB-O 3.29Å; A2114-K2177 WeakPolarHBondContact CB-O 3.37Å; A2114-V2178 CarbonylContact C-O 3.44Å; A2114-E2180 HydrophobicContact CB-CG 4.32Å; A2114-E2180 WeakPolarHBondContact CB-OE1 3.42Å; A2114-E2180 PolarHBondContact N-OE1 3.1Å; A2114-E2180 PolarHBondContact N-OE2 3.31Å |
| 2115 | S | 86.2 | Confident | 76.1 | Confident | 20 Ų | 20 | 45.5 Ų | 45.5 | 14% | 0.14 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.3 | -31.6 | 176.6 | -165.7 | 0 | 0 | 0 | 0 | 112.5 | S2113 S2119 K2125 V2178 Q2179 E2180 | S2113-S2115 VanDerWaalsContact C-N 3.31Å; S2113-S2115 PolarHBondContact O-N 3.13Å; S2113-S2115 PolarHBondContact OG-N 3.23Å; S2113-S2115 VanDerWaalsContact OG-N 3.12Å; S2115-S2119 WeakPolarHBondContact O-CB 3.32Å; S2115-S2119 PolarHBondContact O-N 3.3Å; S2115-S2119 PolarHBondContact O-OG 3.19Å; S2115-K2125 PolarHBondContact O-NZ 3.37Å; S2115-K2125 PolarHBondContact OG-NZ 3.23Å; S2115-V2178 WeakPolarHBondContact CA-O 3.39Å; S2115-V2178 WeakPolarHBondContact CB-O 3.44Å; S2115-V2178 PolarHBondContact N-O 3.23Å; S2115-V2178 VanDerWaalsContact N-O 3.15Å; S2115-Q2179 PolarHBondContact OG-O 3.29Å; S2115-E2180 WeakPolarHBondContact CB-OE2 3.36Å; S2115-E2180 PolarHBondContact N-OE2 3.26Å |
| 2116 | E | 80.7 | Confident | 76.9 | Confident | 58.75 Ų | 58.75 | 44.9 Ų | 44.9 | 28% | 0.275 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69.7 | -50.3 | 171.1 | -69.7 | -177.4 | 119.2 | 0 | 0 | 112.1 | Q1878 Q2112 S2113 A2114 F2118 S2119 A2120 | Q1878-E2116 VanDerWaalsContact NE2-CD 3.3Å; Q1878-E2116 VanDerWaalsContact NE2-CG 3.33Å; Q1878-E2116 PolarHBondContact NE2-OE1 3.08Å; Q2112-E2116 VanDerWaalsContact CA-OE2 3.32Å; Q2112-E2116 WeakPolarHBondContact CA-OE2 3.3Å; Q2112-E2116 HydrophobicContact CB-CB 4.17Å; Q2112-E2116 WeakPolarHBondContact CB-OE2 3.32Å; S2113-E2116 WeakPolarHBondContact CB-OE2 3.29Å; S2113-E2116 PolarHBondContact N-OE2 3.25Å; S2113-E2116 PolarHBondContact O-N 3.32Å; S2113-E2116 VanDerWaalsContact OG-CB 3.32Å; S2113-E2116 WeakPolarHBondContact OG-CB 3.33Å; S2113-E2116 WeakPolarHBondContact OG-CG 3.21Å; S2113-E2116 PolarHBondContact OG-N 3.06Å; S2113-E2116 VanDerWaalsContact OG-N 3.12Å; S2113-E2116 PolarHBondContact OG-OE2 2.69Å; A2114-E2116 VanDerWaalsContact C-N 3.32Å; A2114-E2116 PolarHBondContact O-N 3.12Å; E2116-F2118 PolarHBondContact O-N 3.13Å; E2116-S2119 WeakPolarHBondContact O-CA 3.21Å; E2116-S2119 VanDerWaalsContact O-CB 3.29Å; E2116-S2119 WeakPolarHBondContact O-CB 3.37Å; E2116-S2119 PolarHBondContact O-N 2.92Å; E2116-A2120 PolarHBondContact O-N 3.05Å; E2116-A2120 VanDerWaalsContact O-N 3.09Å |
| 2117 | R | 83.1 | Confident | 78.3 | Confident | 40 Ų | 40 | 47 Ų | 47 | 15% | 0.151 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.2 | -35.8 | 175.6 | -72 | -171.6 | -64.3 | -119.5 | -4.9 | 112.1 | Y2103 A2104 T2106 S2110 Q2112 S2113 A2114 S2119 A2120 | Y2103-R2117 HydrophobicContact CD1-CB 4.43Å; Y2103-R2117 WeakPolarHBondContact CE1-O 3.46Å; Y2103-R2117 PolarHBondContact O-NE 3.07Å; Y2103-R2117 VanDerWaalsContact O-NE 3.14Å; Y2103-R2117 PolarHBondContact O-NH1 2.81Å; Y2103-R2117 PolarHBondContact O-NH2 3.15Å; A2104-R2117 VanDerWaalsContact C-NH2 3.3Å; A2104-R2117 PolarHBondContact O-NH2 3.25Å; T2106-R2117 PolarHBondContact O-NH1 3.04Å; S2110-R2117 PolarHBondContact OG-NH1 2.91Å; Q2112-R2117 HydrophobicContact CB-CG 4Å; Q2112-R2117 PolarHBondContact O-NH1 3.19Å; S2113-R2117 WeakPolarHBondContact O-CG 3.45Å; S2113-R2117 PolarHBondContact O-N 3Å; S2113-R2117 VanDerWaalsContact O-N 3.13Å; A2114-R2117 PolarHBondContact O-N 3.03Å; R2117-S2119 VanDerWaalsContact C-N 3.33Å; R2117-A2120 PolarHBondContact O-N 3.02Å |
| 2118 | F | 88.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -74.3 | -28.7 | 173.8 | 178.6 | -126 | 0 | 0 | 0 | 113.5 | M2073 Y2103 A2114 E2116 A2120 S2121 K2125 F2128 V2129 F2174 V2178 Q2179 | M2073-F2118 HydrophobicContact CE-CE2 3.97Å; Y2103-F2118 HydrophobicContact CD1-CB 4.01Å; Y2103-F2118 HydrophobicContact CD1-CD2 4.38Å; Y2103-F2118 AromaticContact CD2-CD2 3.88Å; Y2103-F2118 HydrophobicContact CD2-CD2 3.95Å; Y2103-F2118 HydrophobicContact CD2-CE2 4.48Å; Y2103-F2118 HydrophobicContact CE1-CB 4.47Å; Y2103-F2118 HydrophobicContact CE1-CD2 4.29Å; Y2103-F2118 AromaticContact CE2-CD2 3.84Å; Y2103-F2118 HydrophobicContact CE2-CD2 3.84Å; Y2103-F2118 HydrophobicContact CE2-CE2 4.36Å; Y2103-F2118 HydrophobicContact CG-CB 4.11Å; Y2103-F2118 HydrophobicContact CG-CD2 4.23Å; Y2103-F2118 AromaticContact CZ-CD2 3.93Å; A2114-F2118 VanDerWaalsContact O-CB 3.3Å; A2114-F2118 WeakPolarHBondContact O-CB 3.38Å; A2114-F2118 PolarHBondContact O-N 3.16Å; E2116-F2118 PolarHBondContact O-N 3.13Å; F2118-A2120 PolarHBondContact O-N 3.13Å; F2118-S2121 WeakPolarHBondContact O-CB 3.37Å; F2118-S2121 PolarHBondContact O-N 3.03Å; F2118-S2121 VanDerWaalsContact O-N 3.09Å; F2118-K2125 HydrophobicContact CD1-CB 4.35Å; F2118-K2125 HydrophobicContact CD1-CD 4.03Å; F2118-K2125 HydrophobicContact CD1-CG 3.92Å; F2118-K2125 HydrophobicContact CE1-CB 4.22Å; F2118-K2125 HydrophobicContact CE1-CD 4.3Å; F2118-K2125 HydrophobicContact CE1-CG 3.69Å; F2118-K2125 HydrophobicContact CZ-CB 4.45Å; F2118-K2125 HydrophobicContact CZ-CG 4.37Å; F2118-F2128 HydrophobicContact CE2-CB 4.36Å; F2118-F2128 HydrophobicContact CE2-CD1 4.04Å; F2118-F2128 HydrophobicContact CE2-CG 4.48Å; F2118-F2128 HydrophobicContact CZ-CB 4.05Å; F2118-F2128 AromaticContact CZ-CD1 3.87Å; F2118-F2128 HydrophobicContact CZ-CD1 3.87Å; F2118-F2128 HydrophobicContact CZ-CG 4.4Å; F2118-V2129 HydrophobicContact CE1-CG2 3.87Å; F2118-V2129 HydrophobicContact CZ-CG2 4.25Å; F2118-F2174 HydrophobicContact CD1-CZ 4.38Å; F2118-F2174 HydrophobicContact CD2-CZ 4.22Å; F2118-F2174 AromaticContact CE1-CE1 3.94Å; F2118-F2174 HydrophobicContact CE1-CE1 4Å; F2118-F2174 AromaticContact CE1-CZ 3.92Å; F2118-F2174 HydrophobicContact CE1-CZ 3.95Å; F2118-F2174 AromaticContact CE2-CZ 3.8Å; F2118-F2174 HydrophobicContact CE2-CZ 3.8Å; F2118-F2174 HydrophobicContact CG-CZ 4.48Å; F2118-F2174 AromaticContact CZ-CE1 3.93Å; F2118-F2174 HydrophobicContact CZ-CE1 3.98Å; F2118-F2174 AromaticContact CZ-CZ 3.66Å; F2118-F2174 HydrophobicContact CZ-CZ 3.66Å; F2118-V2178 HydrophobicContact CB-CG1 3.57Å; F2118-V2178 HydrophobicContact CD1-CG1 3.78Å; F2118-V2178 HydrophobicContact CD2-CG1 4.14Å; F2118-V2178 HydrophobicContact CE1-CG1 4.48Å; F2118-V2178 HydrophobicContact CG-CG1 3.56Å; F2118-Q2179 HydrophobicContact CE1-CG 4.41Å |
| 2119 | S | 85 | Confident | 82.1 | Confident | 43.75 Ų | 43.75 | 39.5 Ų | 39.5 | 31% | 0.306 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.6 | -26.2 | 171 | -56.2 | 0 | 0 | 0 | 0 | 112.3 | S2115 E2116 R2117 S2121 K2125 | S2115-S2119 WeakPolarHBondContact O-CB 3.32Å; S2115-S2119 PolarHBondContact O-N 3.3Å; S2115-S2119 PolarHBondContact O-OG 3.19Å; E2116-S2119 WeakPolarHBondContact O-CA 3.21Å; E2116-S2119 VanDerWaalsContact O-CB 3.29Å; E2116-S2119 WeakPolarHBondContact O-CB 3.37Å; E2116-S2119 PolarHBondContact O-N 2.92Å; R2117-S2119 VanDerWaalsContact C-N 3.33Å; S2119-S2121 VanDerWaalsContact C-N 3.27Å; S2119-S2121 PolarHBondContact O-N 3.2Å; S2119-K2125 VanDerWaalsContact OG-CD 3.22Å; S2119-K2125 WeakPolarHBondContact OG-CD 3.33Å; S2119-K2125 PolarHBondContact OG-NZ 3.11Å; S2119-K2125 VanDerWaalsContact OG-NZ 3.1Å |
| 2120 | A | 80.8 | Confident | 83.8 | Confident | 12 Ų | 12 | 41.1 Ų | 41.1 | 10% | 0.099 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 10.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | W1974 E2116 R2117 F2118 N2122 | W1974-A2120 HydrophobicContact CB-CB 4.05Å; W1974-A2120 VanDerWaalsContact CB-O 3.25Å; W1974-A2120 WeakPolarHBondContact CB-O 3.48Å; W1974-A2120 HydrophobicContact CD2-CB 3.85Å; W1974-A2120 HydrophobicContact CE3-CB 4.22Å; W1974-A2120 HydrophobicContact CG-CB 3.8Å; E2116-A2120 PolarHBondContact O-N 3.05Å; E2116-A2120 VanDerWaalsContact O-N 3.09Å; R2117-A2120 PolarHBondContact O-N 3.02Å; F2118-A2120 PolarHBondContact O-N 3.13Å; A2120-N2122 PolarHBondContact O-N 3.38Å |
| 2121 | S | 87 | Confident | 85.4 | Confident | 11 Ų | 11 | 40 Ų | 40 | 8% | 0.077 | 22% | 0.216 | C | C | . | . | trans | -73.7 | 124.3 | 177.9 | -175.2 | 0 | 0 | 0 | 0 | 112.6 | Y2103 F2118 S2119 F2123 G2124 | Y2103-S2121 VanDerWaalsContact OH-CB 3.24Å; Y2103-S2121 WeakPolarHBondContact OH-CB 3.3Å; Y2103-S2121 PolarHBondContact OH-OG 3.01Å; F2118-S2121 WeakPolarHBondContact O-CB 3.37Å; F2118-S2121 PolarHBondContact O-N 3.03Å; F2118-S2121 VanDerWaalsContact O-N 3.09Å; S2119-S2121 VanDerWaalsContact C-N 3.27Å; S2119-S2121 PolarHBondContact O-N 3.2Å; S2121-F2123 PolarHBondContact O-N 3.21Å; S2121-F2123 VanDerWaalsContact O-N 3.15Å; S2121-F2123 PolarHBondContact OG-N 3.24Å; S2121-G2124 WeakPolarHBondContact O-CA 3.27Å; S2121-G2124 PolarHBondContact O-N 3.17Å | ||
| 2122 | N | 86.6 | Confident | 86.9 | Confident | 34.5 Ų | 34.5 | 36.1 Ų | 36.1 | 18% | 0.184 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -14.8 | 176.2 | -64.7 | -41 | 0 | 0 | 0 | 114 | V1973 W1974 E2067 Y2070 A2120 G2124 | V1973-N2122 WeakPolarHBondContact CA-OD1 3.33Å; V1973-N2122 WeakPolarHBondContact CG1-OD1 3.44Å; W1974-N2122 PolarHBondContact N-OD1 3.22Å; W1974-N2122 PolarHBondContact O-ND2 2.92Å; E2067-N2122 VanDerWaalsContact CD-ND2 3.29Å; E2067-N2122 VanDerWaalsContact OE1-CB 3.29Å; E2067-N2122 WeakPolarHBondContact OE1-CB 3.4Å; E2067-N2122 PolarHBondContact OE1-ND2 3.17Å; E2067-N2122 PolarHBondContact OE2-ND2 3.44Å; Y2070-N2122 HydrophobicContact CD2-CB 4.24Å; Y2070-N2122 WeakPolarHBondContact CE2-O 3.28Å; A2120-N2122 PolarHBondContact O-N 3.38Å; N2122-G2124 VanDerWaalsContact C-N 3.29Å; N2122-G2124 PolarHBondContact O-N 2.87Å |
| 2123 | F | 89.6 | Confident | 87.9 | Confident | 9.75 Ų | 9.75 | 38.3 Ų | 38.3 | 4% | 0.043 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -22.4 | 168.8 | -170.8 | -86.1 | 0 | 0 | 0 | 112.1 | Y2070 M2073 S2121 K2127 F2128 | Y2070-F2123 HydrophobicContact CD2-CB 4.04Å; Y2070-F2123 HydrophobicContact CD2-CD2 4.44Å; Y2070-F2123 HydrophobicContact CE2-CB 4.15Å; Y2070-F2123 HydrophobicContact CE2-CD2 4.22Å; M2073-F2123 HydrophobicContact CB-CB 4.26Å; M2073-F2123 HydrophobicContact CB-CD1 4.44Å; M2073-F2123 HydrophobicContact CB-CD2 3.67Å; M2073-F2123 HydrophobicContact CB-CE2 4.08Å; M2073-F2123 HydrophobicContact CB-CG 3.87Å; M2073-F2123 HydrophobicContact CE-CB 3.67Å; M2073-F2123 HydrophobicContact CE-CD1 3.83Å; M2073-F2123 HydrophobicContact CE-CG 3.88Å; M2073-F2123 HydrophobicContact SD-CB 3.9Å; M2073-F2123 HydrophobicContact SD-CG 4.38Å; S2121-F2123 PolarHBondContact O-N 3.21Å; S2121-F2123 VanDerWaalsContact O-N 3.15Å; S2121-F2123 PolarHBondContact OG-N 3.24Å; F2123-K2127 HydrophobicContact CD1-CB 4.4Å; F2123-K2127 HydrophobicContact CD1-CD 4.18Å; F2123-K2127 HydrophobicContact CD1-CG 4.41Å; F2123-K2127 HydrophobicContact CE1-CB 4.29Å; F2123-K2127 HydrophobicContact CE1-CD 3.81Å; F2123-K2127 HydrophobicContact CE1-CG 3.91Å; F2123-K2127 HydrophobicContact CZ-CD 4.2Å; F2123-K2127 WeakPolarHBondContact O-CD 3.31Å; F2123-F2128 HydrophobicContact CD1-CB 3.85Å; F2123-F2128 AromaticContact CD1-CD2 3.91Å; F2123-F2128 HydrophobicContact CD1-CD2 4Å; F2123-F2128 HydrophobicContact CD1-CG 4.39Å; F2123-F2128 HydrophobicContact CE1-CB 3.99Å; F2123-F2128 AromaticContact CE1-CD2 3.77Å; F2123-F2128 HydrophobicContact CE1-CD2 3.77Å; F2123-F2128 HydrophobicContact CE1-CG 4.39Å; F2123-F2128 HydrophobicContact CZ-CD2 4.41Å |
| 2124 | G | 86.3 | Confident | 88.5 | Confident | 27.25 Ų | 27.25 | 39.9 Ų | 39.9 | 28% | 0.281 | 20% | 0.204 | S | C | . | . | trans | 90.8 | 114.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S2121 N2122 E2126 K2127 F2128 | S2121-G2124 WeakPolarHBondContact O-CA 3.27Å; S2121-G2124 PolarHBondContact O-N 3.17Å; N2122-G2124 VanDerWaalsContact C-N 3.29Å; N2122-G2124 PolarHBondContact O-N 2.87Å; G2124-E2126 PolarHBondContact O-N 3.21Å; G2124-K2127 WeakPolarHBondContact O-CB 3.48Å; G2124-K2127 PolarHBondContact O-N 3.11Å; G2124-K2127 VanDerWaalsContact O-N 3.12Å; G2124-F2128 PolarHBondContact O-N 3.12Å; G2124-F2128 VanDerWaalsContact O-N 3.11Å | ||
| 2125 | K | 88.5 | Confident | 89 | Confident | 64.25 Ų | 64.25 | 39.7 Ų | 39.7 | 28% | 0.279 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -47.6 | -57.7 | 176.3 | 170.1 | 164.5 | 175.5 | 173.4 | 0 | 111.9 | S2115 F2118 S2119 K2127 F2128 V2129 | S2115-K2125 PolarHBondContact O-NZ 3.37Å; S2115-K2125 PolarHBondContact OG-NZ 3.23Å; F2118-K2125 HydrophobicContact CD1-CB 4.35Å; F2118-K2125 HydrophobicContact CD1-CD 4.03Å; F2118-K2125 HydrophobicContact CD1-CG 3.92Å; F2118-K2125 HydrophobicContact CE1-CB 4.22Å; F2118-K2125 HydrophobicContact CE1-CD 4.3Å; F2118-K2125 HydrophobicContact CE1-CG 3.69Å; F2118-K2125 HydrophobicContact CZ-CB 4.45Å; F2118-K2125 HydrophobicContact CZ-CG 4.37Å; S2119-K2125 VanDerWaalsContact OG-CD 3.22Å; S2119-K2125 WeakPolarHBondContact OG-CD 3.33Å; S2119-K2125 PolarHBondContact OG-NZ 3.11Å; S2119-K2125 VanDerWaalsContact OG-NZ 3.1Å; K2125-K2127 VanDerWaalsContact C-N 3.3Å; K2125-K2127 PolarHBondContact O-N 3.12Å; K2125-F2128 PolarHBondContact O-N 3.03Å; K2125-F2128 VanDerWaalsContact O-N 3.15Å; K2125-V2129 HydrophobicContact CG-CG2 4.43Å; K2125-V2129 WeakPolarHBondContact O-CB 3.11Å; K2125-V2129 VanDerWaalsContact O-CG2 3.28Å; K2125-V2129 WeakPolarHBondContact O-CG2 3.18Å; K2125-V2129 PolarHBondContact O-N 3.18Å |
| 2126 | E | 89.5 | Confident | 89.3 | Confident | 133.25 Ų | 133.25 | 39.7 Ų | 39.7 | 62% | 0.623 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -56.9 | -40.4 | 179.5 | -71 | -174 | -138.6 | 0 | 0 | 113.6 | G2124 F2128 V2129 K2130 | G2124-E2126 PolarHBondContact O-N 3.21Å; E2126-F2128 VanDerWaalsContact C-N 3.34Å; E2126-F2128 PolarHBondContact O-N 2.7Å; E2126-V2129 PolarHBondContact O-N 3.14Å; E2126-K2130 HydrophobicContact CB-CD 4.48Å; E2126-K2130 VanDerWaalsContact O-CB 3.3Å; E2126-K2130 WeakPolarHBondContact O-CB 3.36Å; E2126-K2130 WeakPolarHBondContact O-CD 3.39Å; E2126-K2130 VanDerWaalsContact O-CG 3.26Å; E2126-K2130 WeakPolarHBondContact O-CG 3.3Å; E2126-K2130 PolarHBondContact O-N 3.04Å; E2126-K2130 IonicContact OE2-NZ 2.87Å; E2126-K2130 PolarHBondContact OE2-NZ 3.04Å |
| 2127 | K | 91.3 | Very high | 89.9 | Confident | 95 Ų | 95 | 40 Ų | 40 | 41% | 0.413 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.3 | -43.6 | -178.7 | -172.4 | -173.1 | 178.7 | -172.5 | 0 | 110.7 | F2123 G2124 K2125 L2131 | F2123-K2127 HydrophobicContact CD1-CB 4.4Å; F2123-K2127 HydrophobicContact CD1-CD 4.18Å; F2123-K2127 HydrophobicContact CD1-CG 4.41Å; F2123-K2127 HydrophobicContact CE1-CB 4.29Å; F2123-K2127 HydrophobicContact CE1-CD 3.81Å; F2123-K2127 HydrophobicContact CE1-CG 3.91Å; F2123-K2127 HydrophobicContact CZ-CD 4.2Å; F2123-K2127 WeakPolarHBondContact O-CD 3.31Å; G2124-K2127 WeakPolarHBondContact O-CB 3.48Å; G2124-K2127 PolarHBondContact O-N 3.11Å; G2124-K2127 VanDerWaalsContact O-N 3.12Å; K2125-K2127 VanDerWaalsContact C-N 3.3Å; K2125-K2127 PolarHBondContact O-N 3.12Å; K2127-L2131 VanDerWaalsContact O-CB 3.29Å; K2127-L2131 WeakPolarHBondContact O-CB 3.36Å; K2127-L2131 PolarHBondContact O-N 3.01Å; K2127-L2131 VanDerWaalsContact O-N 3.12Å |
| 2128 | F | 93.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -73.6 | -35.7 | 178.1 | -162.1 | -106.1 | 0 | 0 | 0 | 112.6 | M2073 F2076 L2096 I2099 F2118 F2123 G2124 K2125 E2126 L2131 L2132 F2174 | M2073-F2128 HydrophobicContact CB-CD2 4.21Å; M2073-F2128 HydrophobicContact CB-CE2 3.99Å; M2073-F2128 HydrophobicContact CE-CB 3.68Å; M2073-F2128 HydrophobicContact CE-CD1 3.86Å; M2073-F2128 HydrophobicContact CE-CD2 3.43Å; M2073-F2128 VanDerWaalsContact CE-CD2 3.47Å; M2073-F2128 HydrophobicContact CE-CE1 4.31Å; M2073-F2128 HydrophobicContact CE-CE2 3.95Å; M2073-F2128 HydrophobicContact CE-CG 3.38Å; M2073-F2128 VanDerWaalsContact CE-CG 3.42Å; M2073-F2128 HydrophobicContact CE-CZ 4.36Å; M2073-F2128 HydrophobicContact CG-CD2 4.25Å; M2073-F2128 HydrophobicContact CG-CE2 3.91Å; M2073-F2128 HydrophobicContact CG-CZ 4.33Å; F2076-F2128 AromaticContact CD1-CE2 3.68Å; F2076-F2128 HydrophobicContact CD1-CE2 3.68Å; F2076-F2128 AromaticContact CD1-CZ 3.87Å; F2076-F2128 HydrophobicContact CD1-CZ 3.87Å; F2076-F2128 HydrophobicContact CE1-CE2 4.28Å; F2076-F2128 HydrophobicContact CE1-CZ 4.15Å; F2076-F2128 HydrophobicContact CG-CE2 4.35Å; F2076-F2128 HydrophobicContact CG-CZ 4.43Å; L2096-F2128 HydrophobicContact CD1-CE1 4Å; L2096-F2128 HydrophobicContact CD1-CZ 4Å; I2099-F2128 HydrophobicContact CD1-CZ 4.11Å; I2099-F2128 HydrophobicContact CG2-CE1 4.22Å; I2099-F2128 HydrophobicContact CG2-CZ 4.17Å; F2118-F2128 HydrophobicContact CE2-CB 4.36Å; F2118-F2128 HydrophobicContact CE2-CD1 4.04Å; F2118-F2128 HydrophobicContact CE2-CG 4.48Å; F2118-F2128 HydrophobicContact CZ-CB 4.05Å; F2118-F2128 AromaticContact CZ-CD1 3.87Å; F2118-F2128 HydrophobicContact CZ-CD1 3.87Å; F2118-F2128 HydrophobicContact CZ-CG 4.4Å; F2123-F2128 HydrophobicContact CD1-CB 3.85Å; F2123-F2128 AromaticContact CD1-CD2 3.91Å; F2123-F2128 HydrophobicContact CD1-CD2 4Å; F2123-F2128 HydrophobicContact CD1-CG 4.39Å; F2123-F2128 HydrophobicContact CE1-CB 3.99Å; F2123-F2128 AromaticContact CE1-CD2 3.77Å; F2123-F2128 HydrophobicContact CE1-CD2 3.77Å; F2123-F2128 HydrophobicContact CE1-CG 4.39Å; F2123-F2128 HydrophobicContact CZ-CD2 4.41Å; G2124-F2128 PolarHBondContact O-N 3.12Å; G2124-F2128 VanDerWaalsContact O-N 3.11Å; K2125-F2128 PolarHBondContact O-N 3.03Å; K2125-F2128 VanDerWaalsContact O-N 3.15Å; E2126-F2128 VanDerWaalsContact C-N 3.34Å; E2126-F2128 PolarHBondContact O-N 2.7Å; F2128-L2131 HydrophobicContact CD2-CD2 4.03Å; F2128-L2131 HydrophobicContact CE2-CD2 4.22Å; F2128-L2131 WeakPolarHBondContact O-CB 3.33Å; F2128-L2131 PolarHBondContact O-N 3.05Å; F2128-L2132 HydrophobicContact CD1-CD1 3.73Å; F2128-L2132 HydrophobicContact CD1-CG 4.15Å; F2128-L2132 HydrophobicContact CE1-CD1 3.67Å; F2128-L2132 HydrophobicContact CE1-CD2 4.3Å; F2128-L2132 HydrophobicContact CE1-CG 4.05Å; F2128-L2132 VanDerWaalsContact O-CG 3.31Å; F2128-L2132 WeakPolarHBondContact O-CG 3.47Å; F2128-L2132 PolarHBondContact O-N 3.06Å; F2128-F2174 HydrophobicContact CD1-CE1 4.24Å; F2128-F2174 AromaticContact CD1-CZ 3.91Å; F2128-F2174 HydrophobicContact CD1-CZ 3.91Å; F2128-F2174 HydrophobicContact CE1-CE1 4.29Å; F2128-F2174 HydrophobicContact CE1-CE2 4.07Å; F2128-F2174 AromaticContact CE1-CZ 3.82Å; F2128-F2174 HydrophobicContact CE1-CZ 3.82Å |
| 2129 | V | 92.6 | Very high | 90.7 | Very high | 26 Ų | 26 | 38.6 Ų | 38.6 | 16% | 0.158 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.4 | -51.2 | 173.8 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | F2118 K2125 E2126 L2131 L2132 D2133 Q2179 | F2118-V2129 HydrophobicContact CE1-CG2 3.87Å; F2118-V2129 HydrophobicContact CZ-CG2 4.25Å; K2125-V2129 HydrophobicContact CG-CG2 4.43Å; K2125-V2129 WeakPolarHBondContact O-CB 3.11Å; K2125-V2129 VanDerWaalsContact O-CG2 3.28Å; K2125-V2129 WeakPolarHBondContact O-CG2 3.18Å; K2125-V2129 PolarHBondContact O-N 3.18Å; E2126-V2129 PolarHBondContact O-N 3.14Å; V2129-L2131 VanDerWaalsContact C-N 3.27Å; V2129-L2131 PolarHBondContact O-N 3.12Å; V2129-L2132 CarbonylContact O-C 3.6Å; V2129-L2132 WeakPolarHBondContact O-CA 3.39Å; V2129-L2132 WeakPolarHBondContact O-CB 3.46Å; V2129-L2132 PolarHBondContact O-N 2.94Å; V2129-L2132 VanDerWaalsContact O-N 3.11Å; V2129-D2133 WeakPolarHBondContact CG1-OD2 3.39Å; V2129-D2133 VanDerWaalsContact O-CG 3.25Å; V2129-D2133 PolarHBondContact O-N 2.94Å; V2129-D2133 VanDerWaalsContact O-OD2 3.12Å; V2129-Q2179 HydrophobicContact CG2-CG 4.5Å; V2129-Q2179 VanDerWaalsContact CG2-NE2 3.28Å |
| 2130 | K | 92.8 | Very high | 91.1 | Very high | 116.75 Ų | 116.75 | 41.7 Ų | 41.7 | 51% | 0.508 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.7 | -37 | 176.6 | -71.9 | 165.6 | 179.4 | 168.7 | 0 | 112.2 | E2126 D2133 Q2134 | E2126-K2130 HydrophobicContact CB-CD 4.48Å; E2126-K2130 VanDerWaalsContact O-CB 3.3Å; E2126-K2130 WeakPolarHBondContact O-CB 3.36Å; E2126-K2130 WeakPolarHBondContact O-CD 3.39Å; E2126-K2130 VanDerWaalsContact O-CG 3.26Å; E2126-K2130 WeakPolarHBondContact O-CG 3.3Å; E2126-K2130 PolarHBondContact O-N 3.04Å; E2126-K2130 IonicContact OE2-NZ 2.87Å; E2126-K2130 PolarHBondContact OE2-NZ 3.04Å; K2130-D2133 PolarHBondContact O-N 3.4Å; K2130-Q2134 WeakPolarHBondContact O-CB 3.34Å; K2130-Q2134 VanDerWaalsContact O-CG 3.28Å; K2130-Q2134 WeakPolarHBondContact O-CG 3.31Å; K2130-Q2134 PolarHBondContact O-N 3.12Å; K2130-Q2134 VanDerWaalsContact O-N 3.12Å; K2130-Q2134 PolarHBondContact O-OE1 3.13Å |
| 2131 | L | 93.5 | Very high | 91.7 | Very high | 4.5 Ų | 4.5 | 44.5 Ų | 44.5 | 2% | 0.024 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.9 | -46.4 | 172.9 | 179 | 74.8 | 0 | 0 | 0 | 112.3 | I1714 F2076 T2080 K2127 F2128 V2129 D2133 Q2134 L2135 | I1714-L2131 HydrophobicContact CD1-CD1 3.79Å; F2076-L2131 HydrophobicContact CD1-CD2 4.02Å; F2076-L2131 HydrophobicContact CE1-CD2 4.34Å; T2080-L2131 HydrophobicContact CG2-CD1 3.75Å; T2080-L2131 HydrophobicContact CG2-CD2 4.29Å; T2080-L2131 HydrophobicContact CG2-CG 4Å; K2127-L2131 VanDerWaalsContact O-CB 3.29Å; K2127-L2131 WeakPolarHBondContact O-CB 3.36Å; K2127-L2131 PolarHBondContact O-N 3.01Å; K2127-L2131 VanDerWaalsContact O-N 3.12Å; F2128-L2131 HydrophobicContact CD2-CD2 4.03Å; F2128-L2131 HydrophobicContact CE2-CD2 4.22Å; F2128-L2131 WeakPolarHBondContact O-CB 3.33Å; F2128-L2131 PolarHBondContact O-N 3.05Å; V2129-L2131 VanDerWaalsContact C-N 3.27Å; V2129-L2131 PolarHBondContact O-N 3.12Å; L2131-D2133 VanDerWaalsContact C-N 3.34Å; L2131-D2133 PolarHBondContact O-N 3.28Å; L2131-Q2134 PolarHBondContact O-N 3.1Å; L2131-L2135 VanDerWaalsContact O-CB 3.3Å; L2131-L2135 WeakPolarHBondContact O-CB 3.38Å; L2131-L2135 PolarHBondContact O-N 3.16Å |
| 2132 | L | 93.9 | Very high | 91.9 | Very high | 0.75 Ų | 0.75 | 44.4 Ų | 44.4 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.1 | -36.2 | 177 | -72 | 172.4 | 0 | 0 | 0 | 112.2 | F2076 L2096 F2128 V2129 L2135 H2136 I2171 F2174 | F2076-L2132 HydrophobicContact CE1-CD2 3.69Å; F2076-L2132 HydrophobicContact CZ-CD2 3.81Å; L2096-L2132 HydrophobicContact CD1-CD2 3.98Å; L2096-L2132 HydrophobicContact CD2-CD2 3.92Å; F2128-L2132 HydrophobicContact CD1-CD1 3.73Å; F2128-L2132 HydrophobicContact CD1-CG 4.15Å; F2128-L2132 HydrophobicContact CE1-CD1 3.67Å; F2128-L2132 HydrophobicContact CE1-CD2 4.3Å; F2128-L2132 HydrophobicContact CE1-CG 4.05Å; F2128-L2132 VanDerWaalsContact O-CG 3.31Å; F2128-L2132 WeakPolarHBondContact O-CG 3.47Å; F2128-L2132 PolarHBondContact O-N 3.06Å; V2129-L2132 CarbonylContact O-C 3.6Å; V2129-L2132 WeakPolarHBondContact O-CA 3.39Å; V2129-L2132 WeakPolarHBondContact O-CB 3.46Å; V2129-L2132 PolarHBondContact O-N 2.94Å; V2129-L2132 VanDerWaalsContact O-N 3.11Å; L2132-L2135 PolarHBondContact O-N 3.38Å; L2132-H2136 VanDerWaalsContact O-CB 3.22Å; L2132-H2136 WeakPolarHBondContact O-CB 3.37Å; L2132-H2136 PolarHBondContact O-N 3.27Å; L2132-I2171 HydrophobicContact CB-CG2 4.46Å; L2132-I2171 HydrophobicContact CD2-CG1 4.14Å; L2132-F2174 HydrophobicContact CD1-CD1 3.42Å; L2132-F2174 VanDerWaalsContact CD1-CD1 3.45Å; L2132-F2174 HydrophobicContact CD1-CE1 3.52Å; L2132-F2174 VanDerWaalsContact CD1-CE1 3.5Å; L2132-F2174 HydrophobicContact CD1-CG 4.15Å; L2132-F2174 HydrophobicContact CD1-CZ 4.32Å |
| 2133 | D | 92.2 | Very high | 92.3 | Very high | 62.75 Ų | 62.75 | 43 Ų | 43 | 34% | 0.336 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -69.4 | -42.6 | 178.1 | -62.9 | -31.2 | 0 | 0 | 0 | 111.6 | V2129 K2130 L2131 H2136 N2137 R2175 | V2129-D2133 WeakPolarHBondContact CG1-OD2 3.39Å; V2129-D2133 VanDerWaalsContact O-CG 3.25Å; V2129-D2133 PolarHBondContact O-N 2.94Å; V2129-D2133 VanDerWaalsContact O-OD2 3.12Å; K2130-D2133 PolarHBondContact O-N 3.4Å; L2131-D2133 VanDerWaalsContact C-N 3.34Å; L2131-D2133 PolarHBondContact O-N 3.28Å; D2133-H2136 PolarHBondContact O-N 3.04Å; D2133-N2137 WeakPolarHBondContact O-CB 3.35Å; D2133-N2137 PolarHBondContact O-N 3.24Å; D2133-R2175 IonicContact OD1-CZ 3.11Å; D2133-R2175 IonicContact OD1-NE 3.29Å; D2133-R2175 PolarHBondContact OD1-NE 2.93Å; D2133-R2175 IonicContact OD1-NH2 3.12Å; D2133-R2175 PolarHBondContact OD1-NH2 3.16Å |
| 2134 | Q | 92.3 | Very high | 92.5 | Very high | 72.5 Ų | 72.5 | 44 Ų | 44 | 34% | 0.339 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.5 | -45.3 | 172.1 | -74.1 | 175.3 | -2.3 | 0 | 0 | 111.6 | N1712 L1713 I1714 K2130 L2131 H2136 N2137 S2138 | N1712-Q2134 PolarHBondContact OD1-OE1 2.67Å; L1713-Q2134 HydrophobicContact CD2-CB 4.43Å; L1713-Q2134 HydrophobicContact CG-CB 4.4Å; I1714-Q2134 VanDerWaalsContact CG1-OE1 3.23Å; K2130-Q2134 WeakPolarHBondContact O-CB 3.34Å; K2130-Q2134 VanDerWaalsContact O-CG 3.28Å; K2130-Q2134 WeakPolarHBondContact O-CG 3.31Å; K2130-Q2134 PolarHBondContact O-N 3.12Å; K2130-Q2134 VanDerWaalsContact O-N 3.12Å; K2130-Q2134 PolarHBondContact O-OE1 3.13Å; L2131-Q2134 PolarHBondContact O-N 3.1Å; Q2134-H2136 PolarHBondContact O-N 3.25Å; Q2134-N2137 PolarHBondContact O-N 3.25Å; Q2134-S2138 WeakPolarHBondContact O-CB 3.48Å; Q2134-S2138 PolarHBondContact O-N 3.04Å; Q2134-S2138 PolarHBondContact O-OG 3.03Å |
| 2135 | L | 94.7 | Very high | 92.8 | Very high | 0.5 Ų | 0.5 | 44.6 Ų | 44.6 | 0% | 0.003 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.1 | -48.6 | 175.5 | 177.6 | 64.6 | 0 | 0 | 0 | 111.3 | F2076 T2080 Y2083 M2092 L2131 L2132 N2137 S2138 L2139 L2167 I2171 | F2076-L2135 HydrophobicContact CE1-CD2 4Å; F2076-L2135 HydrophobicContact CZ-CD2 3.56Å; T2080-L2135 HydrophobicContact CG2-CB 4.4Å; T2080-L2135 HydrophobicContact CG2-CD1 4.39Å; T2080-L2135 HydrophobicContact CG2-CD2 4.21Å; Y2083-L2135 HydrophobicContact CD2-CD1 4.43Å; Y2083-L2135 HydrophobicContact CG-CD1 4.29Å; M2092-L2135 HydrophobicContact CE-CD1 3.9Å; M2092-L2135 HydrophobicContact CE-CD2 3.5Å; M2092-L2135 VanDerWaalsContact CE-CD2 3.44Å; M2092-L2135 HydrophobicContact CE-CG 4.36Å; L2131-L2135 VanDerWaalsContact O-CB 3.3Å; L2131-L2135 WeakPolarHBondContact O-CB 3.38Å; L2131-L2135 PolarHBondContact O-N 3.16Å; L2132-L2135 PolarHBondContact O-N 3.38Å; L2135-N2137 VanDerWaalsContact C-N 3.33Å; L2135-N2137 PolarHBondContact O-N 2.98Å; L2135-S2138 CarbonylContact O-C 3.51Å; L2135-S2138 WeakPolarHBondContact O-CA 3.38Å; L2135-S2138 WeakPolarHBondContact O-CB 3.31Å; L2135-S2138 PolarHBondContact O-N 3.28Å; L2135-S2138 VanDerWaalsContact O-N 3.1Å; L2135-L2139 HydrophobicContact CD1-CD1 4.28Å; L2135-L2139 HydrophobicContact CD1-CD2 4.48Å; L2135-L2139 HydrophobicContact CD1-CG 4.19Å; L2135-L2139 HydrophobicContact CG-CD1 3.96Å; L2135-L2139 HydrophobicContact CG-CG 4.33Å; L2135-L2139 VanDerWaalsContact O-CG 3.28Å; L2135-L2139 WeakPolarHBondContact O-CG 3.27Å; L2135-L2139 PolarHBondContact O-N 3.16Å; L2135-L2167 HydrophobicContact CD2-CD1 4.45Å; L2135-L2167 HydrophobicContact CD2-CD2 4.39Å; L2135-I2171 HydrophobicContact CD2-CD1 3.86Å; L2135-I2171 HydrophobicContact CD2-CG1 4.47Å; L2135-I2171 HydrophobicContact CG-CD1 4.05Å |
| 2136 | H | 93 | Very high | 93.1 | Very high | 20.25 Ų | 20.25 | 41.8 Ų | 41.8 | 9% | 0.094 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.2 | -44.9 | 177.6 | 178.9 | -79.1 | 0 | 0 | 0 | 112 | L2132 D2133 Q2134 S2138 L2139 R2140 L2168 I2171 R2175 | L2132-H2136 VanDerWaalsContact O-CB 3.22Å; L2132-H2136 WeakPolarHBondContact O-CB 3.37Å; L2132-H2136 PolarHBondContact O-N 3.27Å; D2133-H2136 PolarHBondContact O-N 3.04Å; Q2134-H2136 PolarHBondContact O-N 3.25Å; H2136-S2138 VanDerWaalsContact C-N 3.34Å; H2136-L2139 PolarHBondContact O-N 3.07Å; H2136-R2140 WeakPolarHBondContact O-CB 3.37Å; H2136-R2140 PolarHBondContact O-N 2.91Å; H2136-L2168 VanDerWaalsContact CD2-CD1 3.42Å; H2136-L2168 WeakPolarHBondContact CD2-CD1 3.48Å; H2136-I2171 HydrophobicContact CB-CD1 4.43Å; H2136-I2171 HydrophobicContact CB-CG2 4.37Å; H2136-R2175 PolarHBondContact CD2-NH1 2.88Å; H2136-R2175 VanDerWaalsContact CD2-NH1 3.3Å; H2136-R2175 PolarHBondContact NE2-NH1 3.15Å; H2136-R2175 VanDerWaalsContact NE2-NH1 3.18Å |
| 2137 | N | 92.7 | Very high | 93.2 | Very high | 64.75 Ų | 64.75 | 35.8 Ų | 35.8 | 35% | 0.346 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -66.4 | -37.2 | 175.7 | -173.3 | 54 | 0 | 0 | 0 | 112.3 | D2133 Q2134 L2135 R2140 I2141 | D2133-N2137 WeakPolarHBondContact O-CB 3.35Å; D2133-N2137 PolarHBondContact O-N 3.24Å; Q2134-N2137 PolarHBondContact O-N 3.25Å; L2135-N2137 VanDerWaalsContact C-N 3.33Å; L2135-N2137 PolarHBondContact O-N 2.98Å; N2137-R2140 WeakPolarHBondContact O-CB 3.4Å; N2137-R2140 PolarHBondContact O-N 3.14Å; N2137-R2140 PolarHBondContact OD1-NE 3.09Å; N2137-R2140 PolarHBondContact OD1-NH2 3.09Å; N2137-I2141 VanDerWaalsContact O-CG1 3.3Å; N2137-I2141 WeakPolarHBondContact O-CG1 3.32Å; N2137-I2141 PolarHBondContact O-N 2.96Å |
| 2138 | S | 93.5 | Very high | 93.1 | Very high | 12 Ų | 12 | 32.3 Ų | 32.3 | 8% | 0.084 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67 | -41.1 | 176.7 | -60.1 | 0 | 0 | 0 | 0 | 112.4 | L1713 Y2083 Q2134 L2135 H2136 R2140 I2141 S2142 | L1713-S2138 WeakPolarHBondContact CD1-OG 3.46Å; Y2083-S2138 PolarHBondContact OH-O 3.11Å; Y2083-S2138 VanDerWaalsContact OH-O 3.11Å; Q2134-S2138 WeakPolarHBondContact O-CB 3.48Å; Q2134-S2138 PolarHBondContact O-N 3.04Å; Q2134-S2138 PolarHBondContact O-OG 3.03Å; L2135-S2138 CarbonylContact O-C 3.51Å; L2135-S2138 WeakPolarHBondContact O-CA 3.38Å; L2135-S2138 WeakPolarHBondContact O-CB 3.31Å; L2135-S2138 PolarHBondContact O-N 3.28Å; L2135-S2138 VanDerWaalsContact O-N 3.1Å; H2136-S2138 VanDerWaalsContact C-N 3.34Å; S2138-R2140 VanDerWaalsContact C-N 3.31Å; S2138-R2140 PolarHBondContact O-N 3Å; S2138-I2141 PolarHBondContact O-N 3.08Å; S2138-I2141 VanDerWaalsContact O-N 3.15Å; S2138-S2142 PolarHBondContact O-N 3.07Å; S2138-S2142 PolarHBondContact O-OG 3.22Å; S2138-S2142 VanDerWaalsContact O-OG 3.04Å |
| 2139 | L | 94.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.6 | -45.4 | 172.2 | -65.1 | 167.2 | 0 | 0 | 0 | 110.9 | Y2083 L2135 H2136 I2141 S2142 L2143 T2164 L2167 L2168 I2171 | Y2083-L2139 HydrophobicContact CD2-CD2 3.65Å; Y2083-L2139 HydrophobicContact CD2-CG 4.46Å; Y2083-L2139 HydrophobicContact CE2-CD2 3.92Å; Y2083-L2139 HydrophobicContact CE2-CG 4.46Å; L2135-L2139 HydrophobicContact CD1-CD1 4.28Å; L2135-L2139 HydrophobicContact CD1-CD2 4.48Å; L2135-L2139 HydrophobicContact CD1-CG 4.19Å; L2135-L2139 HydrophobicContact CG-CD1 3.96Å; L2135-L2139 HydrophobicContact CG-CG 4.33Å; L2135-L2139 VanDerWaalsContact O-CG 3.28Å; L2135-L2139 WeakPolarHBondContact O-CG 3.27Å; L2135-L2139 PolarHBondContact O-N 3.16Å; H2136-L2139 PolarHBondContact O-N 3.07Å; L2139-I2141 VanDerWaalsContact C-N 3.33Å; L2139-I2141 PolarHBondContact O-N 3.24Å; L2139-S2142 PolarHBondContact O-N 3.11Å; L2139-L2143 WeakPolarHBondContact O-CB 3.38Å; L2139-L2143 VanDerWaalsContact O-CG 3.29Å; L2139-L2143 WeakPolarHBondContact O-CG 3.37Å; L2139-L2143 PolarHBondContact O-N 3.14Å; L2139-T2164 HydrophobicContact CD2-CG2 3.68Å; L2139-L2167 HydrophobicContact CD1-CB 4.46Å; L2139-L2167 HydrophobicContact CD1-CD2 3.99Å; L2139-L2167 HydrophobicContact CD1-CG 3.93Å; L2139-L2167 HydrophobicContact CD2-CD2 4.01Å; L2139-L2168 HydrophobicContact CB-CD1 4.39Å; L2139-L2168 HydrophobicContact CD1-CD1 4.35Å; L2139-I2171 HydrophobicContact CD1-CD1 3.52Å; L2139-I2171 VanDerWaalsContact CD1-CD1 3.48Å |
| 2140 | R | 94.2 | Very high | 92.9 | Very high | 107.5 Ų | 107.5 | 32.1 Ų | 32.1 | 41% | 0.406 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -57.2 | -44.4 | 175.7 | -170.7 | -176.7 | 67 | 117.6 | -1.4 | 111.9 | H2136 N2137 S2138 L2143 S2144 V2190 C2194 | H2136-R2140 WeakPolarHBondContact O-CB 3.37Å; H2136-R2140 PolarHBondContact O-N 2.91Å; N2137-R2140 WeakPolarHBondContact O-CB 3.4Å; N2137-R2140 PolarHBondContact O-N 3.14Å; N2137-R2140 PolarHBondContact OD1-NE 3.09Å; N2137-R2140 PolarHBondContact OD1-NH2 3.09Å; S2138-R2140 VanDerWaalsContact C-N 3.31Å; S2138-R2140 PolarHBondContact O-N 3Å; R2140-L2143 PolarHBondContact O-N 3.16Å; R2140-S2144 WeakPolarHBondContact O-CB 3.41Å; R2140-S2144 PolarHBondContact O-N 3.34Å; R2140-S2144 PolarHBondContact O-OG 3.08Å; R2140-V2190 HydrophobicContact CG-CG1 4.11Å; R2140-C2194 VanDerWaalsContact CG-SG 3.54Å; R2140-C2194 WeakPolarHBondContact CG-SG 3.3Å; R2140-C2194 PolarHBondContact O-SG 3.09Å; R2140-C2194 VanDerWaalsContact O-SG 3.36Å |
| 2141 | I | 92.9 | Very high | 92.8 | Very high | 72 Ų | 72 | 27.1 Ų | 27.1 | 37% | 0.369 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -63.3 | -46.5 | 176.3 | -69 | 163.1 | 0 | 0 | 0 | 111 | N2137 S2138 L2139 L2143 S2144 | N2137-I2141 VanDerWaalsContact O-CG1 3.3Å; N2137-I2141 WeakPolarHBondContact O-CG1 3.32Å; N2137-I2141 PolarHBondContact O-N 2.96Å; S2138-I2141 PolarHBondContact O-N 3.08Å; S2138-I2141 VanDerWaalsContact O-N 3.15Å; L2139-I2141 VanDerWaalsContact C-N 3.33Å; L2139-I2141 PolarHBondContact O-N 3.24Å; I2141-L2143 VanDerWaalsContact C-N 3.32Å; I2141-L2143 PolarHBondContact O-N 3.17Å; I2141-S2144 WeakPolarHBondContact O-CB 3.46Å; I2141-S2144 PolarHBondContact O-N 3.17Å; I2141-S2144 VanDerWaalsContact O-N 3.12Å; I2141-S2144 PolarHBondContact O-OG 3.14Å |
| 2142 | S | 92.1 | Very high | 92.7 | Very high | 8 Ų | 8 | 27.8 Ų | 27.8 | 6% | 0.056 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65 | -36.1 | 178.8 | -60.9 | 0 | 0 | 0 | 0 | 113.1 | Y2083 M2084 S2138 L2139 S2144 V2145 Y2146 S2149 | Y2083-S2142 PolarHBondContact OH-OG 3.17Å; M2084-S2142 WeakPolarHBondContact CE-OG 3.32Å; M2084-S2142 PolarHBondContact SD-OG 3.17Å; M2084-S2142 VanDerWaalsContact SD-OG 3.4Å; S2138-S2142 PolarHBondContact O-N 3.07Å; S2138-S2142 PolarHBondContact O-OG 3.22Å; S2138-S2142 VanDerWaalsContact O-OG 3.04Å; L2139-S2142 PolarHBondContact O-N 3.11Å; S2142-S2144 VanDerWaalsContact C-N 3.32Å; S2142-S2144 PolarHBondContact O-N 3.45Å; S2142-V2145 CarbonylContact O-C 3.54Å; S2142-V2145 VanDerWaalsContact O-C 3.26Å; S2142-V2145 PolarHBondContact O-N 3.19Å; S2142-Y2146 PolarHBondContact O-N 3.1Å; S2142-S2149 PolarHBondContact O-OG 3.1Å |
| 2143 | L | 94.4 | Very high | 92.4 | Very high | 5.5 Ų | 5.5 | 30.8 Ų | 30.8 | 3% | 0.029 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -72.7 | -30.2 | 174.6 | -70.6 | 171.4 | 0 | 0 | 0 | 112.4 | L2139 R2140 I2141 V2145 Y2146 F2150 L2161 T2164 V2165 L2168 V2191 C2194 | L2139-L2143 WeakPolarHBondContact O-CB 3.38Å; L2139-L2143 VanDerWaalsContact O-CG 3.29Å; L2139-L2143 WeakPolarHBondContact O-CG 3.37Å; L2139-L2143 PolarHBondContact O-N 3.14Å; R2140-L2143 PolarHBondContact O-N 3.16Å; I2141-L2143 VanDerWaalsContact C-N 3.32Å; I2141-L2143 PolarHBondContact O-N 3.17Å; L2143-V2145 PolarHBondContact O-N 3.11Å; L2143-V2145 VanDerWaalsContact O-N 3.08Å; L2143-Y2146 WeakPolarHBondContact O-CB 3.34Å; L2143-Y2146 WeakPolarHBondContact O-CD1 3.31Å; L2143-Y2146 PolarHBondContact O-N 3.12Å; L2143-Y2146 VanDerWaalsContact O-N 3.09Å; L2143-F2150 HydrophobicContact CD2-CE2 4.44Å; L2143-L2161 HydrophobicContact CD2-CD1 3.51Å; L2143-L2161 VanDerWaalsContact CD2-CD1 3.48Å; L2143-T2164 HydrophobicContact CD1-CG2 4.31Å; L2143-T2164 HydrophobicContact CD2-CG2 3.96Å; L2143-T2164 HydrophobicContact CG-CG2 4.04Å; L2143-V2165 HydrophobicContact CD2-CG2 4.21Å; L2143-L2168 HydrophobicContact CD1-CD2 4.18Å; L2143-V2191 HydrophobicContact CD1-CG2 4.49Å; L2143-C2194 HydrophobicContact CB-CB 3.69Å |
| 2144 | S | 94.4 | Very high | 92.3 | Very high | 30.5 Ų | 30.5 | 32.2 Ų | 32.2 | 21% | 0.213 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -8.6 | 175.5 | 6.9 | 0 | 0 | 0 | 0 | 113.7 | R2140 I2141 S2142 C2194 A2197 C2198 | R2140-S2144 WeakPolarHBondContact O-CB 3.41Å; R2140-S2144 PolarHBondContact O-N 3.34Å; R2140-S2144 PolarHBondContact O-OG 3.08Å; I2141-S2144 WeakPolarHBondContact O-CB 3.46Å; I2141-S2144 PolarHBondContact O-N 3.17Å; I2141-S2144 VanDerWaalsContact O-N 3.12Å; I2141-S2144 PolarHBondContact O-OG 3.14Å; S2142-S2144 VanDerWaalsContact C-N 3.32Å; S2142-S2144 PolarHBondContact O-N 3.45Å; S2144-C2194 WeakPolarHBondContact CA-O 3.23Å; S2144-A2197 CarbonylContact O-C 3.55Å; S2144-C2198 WeakPolarHBondContact O-CA 3.32Å; S2144-C2198 VanDerWaalsContact O-CB 3.31Å; S2144-C2198 WeakPolarHBondContact O-CB 3.38Å; S2144-C2198 PolarHBondContact O-N 3.09Å; S2144-C2198 VanDerWaalsContact O-N 3.17Å |
| 2145 | V | 93.3 | Very high | 92.2 | Very high | 40.75 Ų | 40.75 | 33 Ų | 33 | 25% | 0.247 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.6 | 39 | 170.1 | -68.3 | 0 | 0 | 0 | 0 | 110.9 | S2142 L2143 R2147 N2148 S2149 | S2142-V2145 CarbonylContact O-C 3.54Å; S2142-V2145 VanDerWaalsContact O-C 3.26Å; S2142-V2145 PolarHBondContact O-N 3.19Å; L2143-V2145 PolarHBondContact O-N 3.11Å; L2143-V2145 VanDerWaalsContact O-N 3.08Å; V2145-R2147 VanDerWaalsContact C-N 3.26Å; V2145-R2147 PolarHBondContact O-N 3.18Å; V2145-R2147 VanDerWaalsContact O-N 3.11Å; V2145-N2148 HydrophobicContact CB-CB 4.46Å; V2145-N2148 WeakPolarHBondContact O-CA 3.49Å; V2145-N2148 WeakPolarHBondContact O-CB 3.48Å; V2145-N2148 PolarHBondContact O-N 3.19Å; V2145-S2149 PolarHBondContact O-N 3.22Å; V2145-S2149 PolarHBondContact O-OG 3.13Å |
| 2146 | Y | 93.9 | Very high | 92 | Very high | 3.75 Ų | 3.75 | 38.3 Ų | 38.3 | 2% | 0.015 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.1 | -35 | -171.5 | 72.9 | -92.7 | 0 | 0 | 0 | 113.7 | S2142 L2143 N2148 S2149 F2150 L2161 C2198 M2199 D2251 Y2255 M2268 | S2142-Y2146 PolarHBondContact O-N 3.1Å; L2143-Y2146 WeakPolarHBondContact O-CB 3.34Å; L2143-Y2146 WeakPolarHBondContact O-CD1 3.31Å; L2143-Y2146 PolarHBondContact O-N 3.12Å; L2143-Y2146 VanDerWaalsContact O-N 3.09Å; Y2146-N2148 PolarHBondContact O-N 3.42Å; Y2146-S2149 PolarHBondContact O-N 3.05Å; Y2146-F2150 CarbonylContact O-C 3.45Å; Y2146-F2150 VanDerWaalsContact O-CA 3.3Å; Y2146-F2150 WeakPolarHBondContact O-CA 3.36Å; Y2146-F2150 WeakPolarHBondContact O-CB 3.32Å; Y2146-F2150 PolarHBondContact O-N 3.11Å; Y2146-L2161 HydrophobicContact CD2-CD2 4.41Å; Y2146-C2198 HydrophobicContact CD1-CB 3.5Å; Y2146-C2198 VanDerWaalsContact CD1-CB 3.46Å; Y2146-C2198 VanDerWaalsContact CD1-SG 3.54Å; Y2146-C2198 WeakPolarHBondContact CD1-SG 3.43Å; Y2146-C2198 HydrophobicContact CE1-CB 3.48Å; Y2146-C2198 VanDerWaalsContact CE1-CB 3.45Å; Y2146-C2198 WeakPolarHBondContact CE1-SG 3.23Å; Y2146-C2198 PolarHBondContact N-SG 3.26Å; Y2146-M2199 HydrophobicContact CE1-CE 4.41Å; Y2146-M2199 WeakPolarHBondContact OH-CE 3.31Å; Y2146-D2251 VanDerWaalsContact OH-CG 3.25Å; Y2146-D2251 PolarHBondContact OH-OD1 3.28Å; Y2146-D2251 PolarHBondContact OH-OD2 3.1Å; Y2146-Y2255 AromaticContact CD2-CD1 3.69Å; Y2146-Y2255 HydrophobicContact CD2-CD1 3.69Å; Y2146-Y2255 AromaticContact CD2-CE1 3.63Å; Y2146-Y2255 HydrophobicContact CD2-CE1 3.63Å; Y2146-Y2255 HydrophobicContact CD2-CE2 4.48Å; Y2146-Y2255 HydrophobicContact CD2-CG 4.19Å; Y2146-Y2255 AromaticContact CD2-CZ 3.97Å; Y2146-Y2255 AromaticContact CE2-CD1 3.6Å; Y2146-Y2255 HydrophobicContact CE2-CD1 3.6Å; Y2146-Y2255 AromaticContact CE2-CD2 3.81Å; Y2146-Y2255 HydrophobicContact CE2-CD2 3.81Å; Y2146-Y2255 AromaticContact CE2-CE1 3.79Å; Y2146-Y2255 HydrophobicContact CE2-CE1 3.79Å; Y2146-Y2255 AromaticContact CE2-CE2 3.86Å; Y2146-Y2255 HydrophobicContact CE2-CE2 3.99Å; Y2146-Y2255 AromaticContact CE2-CG 3.6Å; Y2146-Y2255 HydrophobicContact CE2-CG 3.6Å; Y2146-Y2255 AromaticContact CE2-CZ 3.82Å; Y2146-M2268 HydrophobicContact CE1-CE 3.93Å; Y2146-M2268 HydrophobicContact CE1-SD 4.24Å; Y2146-M2268 HydrophobicContact CE2-CE 3.94Å; Y2146-M2268 VanDerWaalsContact OH-CE 3.28Å; Y2146-M2268 WeakPolarHBondContact OH-CE 3.48Å |
| 2147 | R | 91.5 | Very high | 91.9 | Very high | 7.25 Ų | 7.25 | 39 Ų | 39 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.8 | -28.8 | 177.5 | -65.6 | -179.7 | 145.5 | -81.3 | 3.5 | 113 | S1695 V2145 P2151 T2202 V2247 E2250 D2251 Y2255 | S1695-R2147 VanDerWaalsContact CB-O 3.28Å; S1695-R2147 WeakPolarHBondContact CB-O 3.49Å; V2145-R2147 VanDerWaalsContact C-N 3.26Å; V2145-R2147 PolarHBondContact O-N 3.18Å; V2145-R2147 VanDerWaalsContact O-N 3.11Å; R2147-P2151 WeakPolarHBondContact O-CA 3.24Å; R2147-T2202 WeakPolarHBondContact CD-OG1 3.43Å; R2147-V2247 PolarHBondContact NH2-O 3.37Å; R2147-E2250 IonicContact CZ-OE2 3.31Å; R2147-E2250 IonicContact NH1-OE2 3.38Å; R2147-E2250 PolarHBondContact NH1-OE2 3.13Å; R2147-E2250 IonicContact NH2-OE2 2.74Å; R2147-E2250 PolarHBondContact NH2-OE2 3.11Å; R2147-D2251 IonicContact CZ-OD1 3.19Å; R2147-D2251 IonicContact CZ-OD2 3.27Å; R2147-D2251 IonicContact NE-OD1 3.21Å; R2147-D2251 PolarHBondContact NE-OD1 3.06Å; R2147-D2251 IonicContact NE-OD2 2.7Å; R2147-D2251 PolarHBondContact NE-OD2 2.71Å; R2147-D2251 VanDerWaalsContact NE-OD2 3.11Å; R2147-D2251 IonicContact NH1-OD1 3.2Å; R2147-D2251 IonicContact NH2-OD1 3.21Å; R2147-D2251 PolarHBondContact NH2-OD1 3.01Å; R2147-D2251 IonicContact NH2-OD2 3.76Å; R2147-D2251 PolarHBondContact NH2-OD2 3.14Å; R2147-Y2255 HydrophobicContact CG-CE2 4.24Å |
| 2148 | N | 89.1 | Confident | 92 | Very high | 22.25 Ų | 22.25 | 36.8 Ų | 36.8 | 12% | 0.119 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -93.1 | -39.2 | 178.3 | -62.8 | -21.4 | 0 | 0 | 0 | 111.8 | T1698 M1699 Q1702 M1706 V2145 Y2146 F2150 | T1698-N2148 WeakPolarHBondContact CB-OD1 3.22Å; T1698-N2148 HydrophobicContact CG2-CB 3.88Å; T1698-N2148 PolarHBondContact OG1-OD1 3.41Å; M1699-N2148 WeakPolarHBondContact CE-O 3.42Å; M1699-N2148 HydrophobicContact CG-CB 4.31Å; M1699-N2148 PolarHBondContact N-OD1 3.07Å; Q1702-N2148 PolarHBondContact OE1-ND2 3.19Å; M1706-N2148 HydrophobicContact CE-CB 4.25Å; M1706-N2148 HydrophobicContact SD-CB 4.26Å; V2145-N2148 HydrophobicContact CB-CB 4.46Å; V2145-N2148 WeakPolarHBondContact O-CA 3.49Å; V2145-N2148 WeakPolarHBondContact O-CB 3.48Å; V2145-N2148 PolarHBondContact O-N 3.19Å; Y2146-N2148 PolarHBondContact O-N 3.42Å; N2148-F2150 VanDerWaalsContact C-N 3.28Å; N2148-F2150 PolarHBondContact O-N 3.29Å |
| 2149 | S | 89.1 | Confident | 92 | Very high | 19.25 Ų | 19.25 | 41.8 Ų | 41.8 | 14% | 0.135 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.3 | -32.4 | 178.1 | -63.9 | 0 | 0 | 0 | 0 | 112.9 | S2142 V2145 Y2146 | S2142-S2149 PolarHBondContact O-OG 3.1Å; V2145-S2149 PolarHBondContact O-N 3.22Å; V2145-S2149 PolarHBondContact O-OG 3.13Å; Y2146-S2149 PolarHBondContact O-N 3.05Å |
| 2150 | F | 93 | Very high | 92 | Very high | 3.5 Ų | 3.5 | 42 Ų | 42 | 2% | 0.015 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -137 | 73.7 | -172.3 | -50.5 | -79.3 | 0 | 0 | 0 | 110.5 | M2084 L2143 Y2146 N2148 A2152 K2157 D2160 L2161 T2164 Y2255 | M2084-F2150 HydrophobicContact CE-CE1 4.35Å; M2084-F2150 HydrophobicContact CE-CZ 3.8Å; L2143-F2150 HydrophobicContact CD2-CE2 4.44Å; Y2146-F2150 CarbonylContact O-C 3.45Å; Y2146-F2150 VanDerWaalsContact O-CA 3.3Å; Y2146-F2150 WeakPolarHBondContact O-CA 3.36Å; Y2146-F2150 WeakPolarHBondContact O-CB 3.32Å; Y2146-F2150 PolarHBondContact O-N 3.11Å; N2148-F2150 VanDerWaalsContact C-N 3.28Å; N2148-F2150 PolarHBondContact O-N 3.29Å; F2150-A2152 PolarHBondContact O-N 3.01Å; F2150-K2157 HydrophobicContact CB-CB 4.45Å; F2150-K2157 HydrophobicContact CD1-CB 4.47Å; F2150-K2157 HydrophobicContact CD1-CD 4.36Å; F2150-K2157 VanDerWaalsContact CD1-O 3.26Å; F2150-K2157 WeakPolarHBondContact CD1-O 3.43Å; F2150-D2160 HydrophobicContact CD1-CB 4.06Å; F2150-D2160 HydrophobicContact CE1-CB 3.86Å; F2150-L2161 HydrophobicContact CB-CB 3.83Å; F2150-L2161 HydrophobicContact CB-CD2 4.15Å; F2150-L2161 HydrophobicContact CB-CG 4.42Å; F2150-L2161 HydrophobicContact CD1-CB 3.91Å; F2150-L2161 HydrophobicContact CD2-CB 4.05Å; F2150-L2161 HydrophobicContact CD2-CD1 3.67Å; F2150-L2161 HydrophobicContact CD2-CG 4.32Å; F2150-L2161 HydrophobicContact CE1-CB 4.44Å; F2150-L2161 HydrophobicContact CE2-CD1 3.94Å; F2150-L2161 HydrophobicContact CG-CB 3.67Å; F2150-L2161 HydrophobicContact CG-CD1 4.19Å; F2150-L2161 HydrophobicContact CG-CG 4.36Å; F2150-T2164 HydrophobicContact CE2-CG2 4.46Å; F2150-T2164 HydrophobicContact CZ-CG2 4.09Å; F2150-T2164 WeakPolarHBondContact CZ-OG1 3.41Å; F2150-Y2255 WeakPolarHBondContact O-CE1 3.39Å; F2150-Y2255 PolarHBondContact O-OH 3.18Å |
| 2151 | P | 91.7 | Very high | 92 | Very high | 10.25 Ų | 10.25 | 36.9 Ų | 36.9 | 7% | 0.067 | 21% | 0.206 | C | C | . | . | trans | -66.8 | 136.2 | -173.9 | 28.9 | -36.7 | 0 | 0 | 0 | 111.7 | S1695 M1699 R2147 S2153 Q2154 | S1695-P2151 WeakPolarHBondContact OG-CB 3.46Å; M1699-P2151 HydrophobicContact CE-CB 4.14Å; M1699-P2151 HydrophobicContact CE-CG 3.96Å; R2147-P2151 WeakPolarHBondContact O-CA 3.24Å; P2151-S2153 PolarHBondContact O-N 3.03Å; P2151-S2153 VanDerWaalsContact O-N 3.11Å; P2151-Q2154 HydrophobicContact CG-CB 4.2Å; P2151-Q2154 HydrophobicContact CG-CG 4.15Å; P2151-Q2154 PolarHBondContact O-N 2.99Å; P2151-Q2154 VanDerWaalsContact O-N 3.07Å | ||
| 2152 | A | 89.9 | Confident | 92.1 | Very high | 19.25 Ų | 19.25 | 35.8 Ų | 35.8 | 16% | 0.159 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -19.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1692 S1695 F2150 Q2154 L2158 E2250 T2254 Y2255 | S1692-A2152 VanDerWaalsContact OG-CB 3.27Å; S1692-A2152 WeakPolarHBondContact OG-CB 3.13Å; S1695-A2152 PolarHBondContact OG-N 2.76Å; F2150-A2152 PolarHBondContact O-N 3.01Å; A2152-Q2154 VanDerWaalsContact C-N 3.28Å; A2152-Q2154 PolarHBondContact O-N 3.32Å; A2152-L2158 HydrophobicContact CB-CD2 4.48Å; A2152-E2250 HydrophobicContact CB-CG 4.27Å; A2152-E2250 WeakPolarHBondContact CB-OE1 3.14Å; A2152-T2254 HydrophobicContact CB-CG2 3.86Å; A2152-Y2255 HydrophobicContact CB-CE1 4.47Å; A2152-Y2255 HydrophobicContact CB-CE2 4.06Å; A2152-Y2255 PolarHBondContact N-OH 3.2Å; A2152-Y2255 VanDerWaalsContact N-OH 3.11Å |
| 2153 | S | 88.4 | Confident | 92.3 | Very high | 64.25 Ų | 64.25 | 36.1 Ų | 36.1 | 45% | 0.449 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -14.8 | 173.4 | 59.5 | 0 | 0 | 0 | 0 | 114.5 | D1696 P2151 | D1696-S2153 VanDerWaalsContact OD1-CB 3.29Å; D1696-S2153 WeakPolarHBondContact OD1-CB 3.15Å; D1696-S2153 PolarHBondContact OD1-OG 3.49Å; D1696-S2153 WeakPolarHBondContact OD2-CB 3.31Å; D1696-S2153 PolarHBondContact OD2-OG 2.97Å; P2151-S2153 PolarHBondContact O-N 3.03Å; P2151-S2153 VanDerWaalsContact O-N 3.11Å |
| 2154 | Q | 89.4 | Confident | 92.3 | Very high | 92 Ų | 92 | 35.8 Ų | 35.8 | 43% | 0.43 | 20% | 0.2 | S | C | . | . | trans | -119.9 | 100.8 | -175.3 | -64.8 | -177.7 | 12.8 | 0 | 0 | 111.4 | P2151 A2152 D2156 K2157 L2158 | P2151-Q2154 HydrophobicContact CG-CB 4.2Å; P2151-Q2154 HydrophobicContact CG-CG 4.15Å; P2151-Q2154 PolarHBondContact O-N 2.99Å; P2151-Q2154 VanDerWaalsContact O-N 3.07Å; A2152-Q2154 VanDerWaalsContact C-N 3.28Å; A2152-Q2154 PolarHBondContact O-N 3.32Å; Q2154-D2156 VanDerWaalsContact C-N 3.27Å; Q2154-D2156 PolarHBondContact O-N 3.38Å; Q2154-K2157 HydrophobicContact CB-CB 3.98Å; Q2154-K2157 HydrophobicContact CB-CG 4.09Å; Q2154-K2157 WeakPolarHBondContact O-CB 3.38Å; Q2154-K2157 PolarHBondContact O-N 2.9Å; Q2154-K2157 VanDerWaalsContact O-N 3.08Å; Q2154-K2157 VanDerWaalsContact OE1-CG 3.29Å; Q2154-L2158 PolarHBondContact O-N 3.11Å; Q2154-L2158 VanDerWaalsContact O-N 3.11Å | ||
| 2155 | P | 90.6 | Very high | 92.4 | Very high | 90 Ų | 90 | 34.4 Ų | 34.4 | 58% | 0.584 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -59.5 | -34.6 | -177.1 | -0.9 | 0.5 | 0 | 0 | 0 | 113.6 | K2157 L2158 Q2159 | P2155-K2157 VanDerWaalsContact C-N 3.3Å; P2155-K2157 PolarHBondContact O-N 3.12Å; P2155-L2158 WeakPolarHBondContact O-CB 3.33Å; P2155-L2158 PolarHBondContact O-N 2.97Å; P2155-L2158 VanDerWaalsContact O-N 3.14Å; P2155-Q2159 PolarHBondContact O-N 3.01Å |
| 2156 | D | 90.1 | Very high | 92.4 | Very high | 112 Ų | 112 | 34.5 Ų | 34.5 | 60% | 0.599 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -64.9 | -36.5 | 177.3 | -50.5 | -39.5 | 0 | 0 | 0 | 111.3 | T2086 Q2154 L2158 Q2159 D2160 | T2086-D2156 HydrophobicContact CG2-CB 4.13Å; Q2154-D2156 VanDerWaalsContact C-N 3.27Å; Q2154-D2156 PolarHBondContact O-N 3.38Å; D2156-L2158 VanDerWaalsContact C-N 3.33Å; D2156-Q2159 PolarHBondContact O-N 3.08Å; D2156-D2160 PolarHBondContact O-N 3.16Å |
| 2157 | K | 92.4 | Very high | 92.5 | Very high | 33.75 Ų | 33.75 | 34.3 Ų | 34.3 | 15% | 0.147 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -72.8 | -27.5 | 173.9 | -72.2 | -66 | 163.9 | -153.7 | 0 | 112.9 | M2084 T2086 F2150 Q2154 P2155 Q2159 D2160 L2161 | M2084-K2157 PolarHBondContact O-NZ 3Å; T2086-K2157 WeakPolarHBondContact OG1-CE 3.17Å; T2086-K2157 PolarHBondContact OG1-NZ 3.12Å; F2150-K2157 HydrophobicContact CB-CB 4.45Å; F2150-K2157 HydrophobicContact CD1-CB 4.47Å; F2150-K2157 HydrophobicContact CD1-CD 4.36Å; F2150-K2157 VanDerWaalsContact CD1-O 3.26Å; F2150-K2157 WeakPolarHBondContact CD1-O 3.43Å; Q2154-K2157 HydrophobicContact CB-CB 3.98Å; Q2154-K2157 HydrophobicContact CB-CG 4.09Å; Q2154-K2157 WeakPolarHBondContact O-CB 3.38Å; Q2154-K2157 PolarHBondContact O-N 2.9Å; Q2154-K2157 VanDerWaalsContact O-N 3.08Å; Q2154-K2157 VanDerWaalsContact OE1-CG 3.29Å; P2155-K2157 VanDerWaalsContact C-N 3.3Å; P2155-K2157 PolarHBondContact O-N 3.12Å; K2157-Q2159 VanDerWaalsContact C-N 3.27Å; K2157-D2160 HydrophobicContact CD-CB 4.39Å; K2157-D2160 WeakPolarHBondContact CD-OD2 3.33Å; K2157-D2160 WeakPolarHBondContact CE-OD2 3.4Å; K2157-D2160 IonicContact NZ-OD2 3.02Å; K2157-D2160 PolarHBondContact NZ-OD2 3.09Å; K2157-D2160 WeakPolarHBondContact O-CB 3.47Å; K2157-D2160 PolarHBondContact O-N 3.17Å; K2157-L2161 WeakPolarHBondContact O-CB 3.29Å; K2157-L2161 PolarHBondContact O-N 3.11Å |
| 2158 | L | 93.4 | Very high | 92.7 | Very high | 19.25 Ų | 19.25 | 34 Ų | 34 | 10% | 0.101 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69 | -34.7 | 169.1 | -66 | 179.7 | 0 | 0 | 0 | 111.6 | A2152 Q2154 P2155 D2156 L2161 K2162 T2254 Y2255 V2258 | A2152-L2158 HydrophobicContact CB-CD2 4.48Å; Q2154-L2158 PolarHBondContact O-N 3.11Å; Q2154-L2158 VanDerWaalsContact O-N 3.11Å; P2155-L2158 WeakPolarHBondContact O-CB 3.33Å; P2155-L2158 PolarHBondContact O-N 2.97Å; P2155-L2158 VanDerWaalsContact O-N 3.14Å; D2156-L2158 VanDerWaalsContact C-N 3.33Å; L2158-L2161 HydrophobicContact CD2-CD2 4.37Å; L2158-L2161 WeakPolarHBondContact O-CB 3.35Å; L2158-L2161 PolarHBondContact O-N 3.13Å; L2158-K2162 PolarHBondContact O-N 3.22Å; L2158-T2254 HydrophobicContact CD1-CG2 3.6Å; L2158-T2254 HydrophobicContact CD2-CG2 4.43Å; L2158-Y2255 HydrophobicContact CD2-CD1 4.1Å; L2158-Y2255 HydrophobicContact CD2-CE1 3.73Å; L2158-V2258 HydrophobicContact CB-CG1 4.39Å; L2158-V2258 HydrophobicContact CB-CG2 3.95Å; L2158-V2258 HydrophobicContact CD1-CG2 4.3Å; L2158-V2258 HydrophobicContact CD2-CG2 4.32Å; L2158-V2258 HydrophobicContact CG-CG2 4.42Å; L2158-V2258 WeakPolarHBondContact O-CG1 3.32Å |
| 2159 | Q | 93.1 | Very high | 92.9 | Very high | 116.25 Ų | 116.25 | 34.9 Ų | 34.9 | 54% | 0.543 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -70.1 | -37.2 | 170.7 | -83.7 | -41.8 | -14.1 | 0 | 0 | 112.3 | P2155 D2156 K2157 L2161 K2162 S2163 | P2155-Q2159 PolarHBondContact O-N 3.01Å; D2156-Q2159 PolarHBondContact O-N 3.08Å; K2157-Q2159 VanDerWaalsContact C-N 3.27Å; Q2159-L2161 VanDerWaalsContact C-N 3.31Å; Q2159-L2161 PolarHBondContact O-N 3.48Å; Q2159-K2162 WeakPolarHBondContact O-CB 3.47Å; Q2159-K2162 PolarHBondContact O-N 3.27Å; Q2159-K2162 VanDerWaalsContact O-N 3.12Å; Q2159-K2162 VanDerWaalsContact OE1-CD 3.32Å; Q2159-S2163 VanDerWaalsContact O-CB 3.27Å; Q2159-S2163 WeakPolarHBondContact O-CB 3.34Å; Q2159-S2163 PolarHBondContact O-N 3.17Å; Q2159-S2163 PolarHBondContact O-OG 3.3Å |
| 2160 | D | 94.3 | Very high | 93.1 | Very high | 4.5 Ų | 4.5 | 34.9 Ų | 34.9 | 2% | 0.024 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.1 | -41 | 170.3 | -69.9 | -29.2 | 0 | 0 | 0 | 111.7 | T2086 G2087 F2150 D2156 K2157 S2163 T2164 | T2086-D2160 VanDerWaalsContact CA-OD1 3.26Å; T2086-D2160 WeakPolarHBondContact CA-OD1 3.32Å; T2086-D2160 VanDerWaalsContact CA-OD2 3.31Å; T2086-D2160 WeakPolarHBondContact CA-OD2 3.41Å; T2086-D2160 WeakPolarHBondContact CB-OD2 3.33Å; T2086-D2160 PolarHBondContact OG1-OD2 3.37Å; G2087-D2160 PolarHBondContact N-OD1 3Å; F2150-D2160 HydrophobicContact CD1-CB 4.06Å; F2150-D2160 HydrophobicContact CE1-CB 3.86Å; D2156-D2160 PolarHBondContact O-N 3.16Å; K2157-D2160 HydrophobicContact CD-CB 4.39Å; K2157-D2160 WeakPolarHBondContact CD-OD2 3.33Å; K2157-D2160 WeakPolarHBondContact CE-OD2 3.4Å; K2157-D2160 IonicContact NZ-OD2 3.02Å; K2157-D2160 PolarHBondContact NZ-OD2 3.09Å; K2157-D2160 WeakPolarHBondContact O-CB 3.47Å; K2157-D2160 PolarHBondContact O-N 3.17Å; D2160-S2163 CarbonylContact O-C 3.58Å; D2160-S2163 PolarHBondContact O-N 3.21Å; D2160-T2164 VanDerWaalsContact O-CB 3.25Å; D2160-T2164 WeakPolarHBondContact O-CB 3.44Å; D2160-T2164 PolarHBondContact O-N 3.28Å; D2160-T2164 PolarHBondContact O-OG1 3.04Å |
| 2161 | L | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.5 | -47.4 | 174.9 | 173.4 | 57.3 | 0 | 0 | 0 | 111.1 | L2143 Y2146 F2150 K2157 L2158 Q2159 S2163 T2164 V2165 Y2255 V2258 I2259 | L2143-L2161 HydrophobicContact CD2-CD1 3.51Å; L2143-L2161 VanDerWaalsContact CD2-CD1 3.48Å; Y2146-L2161 HydrophobicContact CD2-CD2 4.41Å; F2150-L2161 HydrophobicContact CB-CB 3.83Å; F2150-L2161 HydrophobicContact CB-CD2 4.15Å; F2150-L2161 HydrophobicContact CB-CG 4.42Å; F2150-L2161 HydrophobicContact CD1-CB 3.91Å; F2150-L2161 HydrophobicContact CD2-CB 4.05Å; F2150-L2161 HydrophobicContact CD2-CD1 3.67Å; F2150-L2161 HydrophobicContact CD2-CG 4.32Å; F2150-L2161 HydrophobicContact CE1-CB 4.44Å; F2150-L2161 HydrophobicContact CE2-CD1 3.94Å; F2150-L2161 HydrophobicContact CG-CB 3.67Å; F2150-L2161 HydrophobicContact CG-CD1 4.19Å; F2150-L2161 HydrophobicContact CG-CG 4.36Å; K2157-L2161 WeakPolarHBondContact O-CB 3.29Å; K2157-L2161 PolarHBondContact O-N 3.11Å; L2158-L2161 HydrophobicContact CD2-CD2 4.37Å; L2158-L2161 WeakPolarHBondContact O-CB 3.35Å; L2158-L2161 PolarHBondContact O-N 3.13Å; Q2159-L2161 VanDerWaalsContact C-N 3.31Å; Q2159-L2161 PolarHBondContact O-N 3.48Å; L2161-S2163 VanDerWaalsContact C-N 3.31Å; L2161-S2163 PolarHBondContact O-N 3.1Å; L2161-T2164 WeakPolarHBondContact O-CB 3.31Å; L2161-T2164 PolarHBondContact O-N 3.12Å; L2161-V2165 PolarHBondContact O-N 3.09Å; L2161-V2165 VanDerWaalsContact O-N 3.1Å; L2161-Y2255 HydrophobicContact CD2-CD1 3.67Å; L2161-Y2255 HydrophobicContact CD2-CE1 3.91Å; L2161-V2258 HydrophobicContact CB-CG1 4.32Å; L2161-V2258 HydrophobicContact CD2-CG1 4.14Å; L2161-V2258 HydrophobicContact CG-CG1 4.16Å; L2161-I2259 HydrophobicContact CD1-CD1 4.21Å; L2161-I2259 HydrophobicContact CD2-CD1 4.06Å; L2161-I2259 HydrophobicContact CD2-CG1 4.31Å; L2161-I2259 HydrophobicContact CG-CD1 4.24Å; L2161-I2259 HydrophobicContact CG-CG1 4.27Å |
| 2162 | K | 95 | Very high | 93.2 | Very high | 48.75 Ų | 48.75 | 35.2 Ų | 35.2 | 21% | 0.212 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.2 | -51 | 175.4 | -169.7 | 174.8 | 174.8 | 53.8 | 0 | 111 | L2158 Q2159 T2164 V2165 D2166 V2258 N2260 Q2261 | L2158-K2162 PolarHBondContact O-N 3.22Å; Q2159-K2162 WeakPolarHBondContact O-CB 3.47Å; Q2159-K2162 PolarHBondContact O-N 3.27Å; Q2159-K2162 VanDerWaalsContact O-N 3.12Å; Q2159-K2162 VanDerWaalsContact OE1-CD 3.32Å; K2162-T2164 VanDerWaalsContact C-N 3.28Å; K2162-T2164 PolarHBondContact O-N 3.17Å; K2162-V2165 WeakPolarHBondContact O-CB 3.31Å; K2162-V2165 PolarHBondContact O-N 3.35Å; K2162-V2165 VanDerWaalsContact O-N 3.12Å; K2162-D2166 IonicContact NZ-OD2 3.03Å; K2162-D2166 VanDerWaalsContact O-CG 3.3Å; K2162-D2166 PolarHBondContact O-N 3.32Å; K2162-V2258 HydrophobicContact CB-CG1 3.97Å; K2162-V2258 PolarHBondContact NZ-O 3.01Å; K2162-N2260 PolarHBondContact NZ-OD1 3.35Å; K2162-Q2261 VanDerWaalsContact CG-NE2 3.28Å; K2162-Q2261 PolarHBondContact O-NE2 2.94Å |
| 2163 | S | 95.1 | Very high | 93.3 | Very high | 15 Ų | 15 | 38.3 Ų | 38.3 | 11% | 0.105 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.9 | -25.6 | -179.1 | -56 | 0 | 0 | 0 | 0 | 113.2 | Q2159 D2160 L2161 D2166 L2167 | Q2159-S2163 VanDerWaalsContact O-CB 3.27Å; Q2159-S2163 WeakPolarHBondContact O-CB 3.34Å; Q2159-S2163 PolarHBondContact O-N 3.17Å; Q2159-S2163 PolarHBondContact O-OG 3.3Å; D2160-S2163 CarbonylContact O-C 3.58Å; D2160-S2163 PolarHBondContact O-N 3.21Å; L2161-S2163 VanDerWaalsContact C-N 3.31Å; L2161-S2163 PolarHBondContact O-N 3.1Å; S2163-D2166 PolarHBondContact O-N 3.25Å; S2163-L2167 VanDerWaalsContact O-CB 3.28Å; S2163-L2167 WeakPolarHBondContact O-CB 3.25Å; S2163-L2167 PolarHBondContact O-N 3.11Å |
| 2164 | T | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.6 | -40.9 | 172.1 | -64.4 | 0 | 0 | 0 | 0 | 110.6 | L2139 L2143 F2150 D2160 L2161 K2162 L2167 L2168 | L2139-T2164 HydrophobicContact CD2-CG2 3.68Å; L2143-T2164 HydrophobicContact CD1-CG2 4.31Å; L2143-T2164 HydrophobicContact CD2-CG2 3.96Å; L2143-T2164 HydrophobicContact CG-CG2 4.04Å; F2150-T2164 HydrophobicContact CE2-CG2 4.46Å; F2150-T2164 HydrophobicContact CZ-CG2 4.09Å; F2150-T2164 WeakPolarHBondContact CZ-OG1 3.41Å; D2160-T2164 VanDerWaalsContact O-CB 3.25Å; D2160-T2164 WeakPolarHBondContact O-CB 3.44Å; D2160-T2164 PolarHBondContact O-N 3.28Å; D2160-T2164 PolarHBondContact O-OG1 3.04Å; L2161-T2164 WeakPolarHBondContact O-CB 3.31Å; L2161-T2164 PolarHBondContact O-N 3.12Å; K2162-T2164 VanDerWaalsContact C-N 3.28Å; K2162-T2164 PolarHBondContact O-N 3.17Å; T2164-L2167 PolarHBondContact O-N 3.3Å; T2164-L2168 PolarHBondContact O-N 3.13Å; T2164-L2168 VanDerWaalsContact O-N 3.11Å |
| 2165 | V | 95.2 | Very high | 93.7 | Very high | 0.25 Ų | 0.25 | 31.7 Ų | 31.7 | 0% | 0.002 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.7 | -42.2 | 171.8 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | L2143 L2161 K2162 L2167 L2168 T2169 V2191 I2259 Q2261 F2262 | L2143-V2165 HydrophobicContact CD2-CG2 4.21Å; L2161-V2165 PolarHBondContact O-N 3.09Å; L2161-V2165 VanDerWaalsContact O-N 3.1Å; K2162-V2165 WeakPolarHBondContact O-CB 3.31Å; K2162-V2165 PolarHBondContact O-N 3.35Å; K2162-V2165 VanDerWaalsContact O-N 3.12Å; V2165-L2167 VanDerWaalsContact C-N 3.31Å; V2165-L2167 PolarHBondContact O-N 3.06Å; V2165-L2168 WeakPolarHBondContact O-CA 3.29Å; V2165-L2168 WeakPolarHBondContact O-CB 3.4Å; V2165-L2168 PolarHBondContact O-N 2.92Å; V2165-L2168 VanDerWaalsContact O-N 3.1Å; V2165-T2169 WeakPolarHBondContact O-CG2 3.43Å; V2165-T2169 PolarHBondContact O-N 3.11Å; V2165-T2169 PolarHBondContact O-OG1 3.35Å; V2165-V2191 HydrophobicContact CG1-CG2 4.12Å; V2165-V2191 HydrophobicContact CG2-CG2 4.26Å; V2165-I2259 HydrophobicContact CG2-CG1 4.48Å; V2165-I2259 HydrophobicContact CG2-CG2 4.39Å; V2165-Q2261 HydrophobicContact CG1-CB 4.27Å; V2165-Q2261 HydrophobicContact CG1-CG 3.96Å; V2165-F2262 HydrophobicContact CG1-CE2 4.09Å; V2165-F2262 HydrophobicContact CG1-CZ 4.41Å |
| 2166 | D | 94.8 | Very high | 93.6 | Very high | 43.5 Ų | 43.5 | 31.4 Ų | 31.4 | 23% | 0.233 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.5 | -33.4 | 176.9 | -61.7 | -32.2 | 0 | 0 | 0 | 112.5 | S2093 K2162 S2163 T2169 S2170 Q2261 | S2093-D2166 PolarHBondContact OG-O 3.09Å; S2093-D2166 VanDerWaalsContact OG-O 3.08Å; K2162-D2166 IonicContact NZ-OD2 3.03Å; K2162-D2166 VanDerWaalsContact O-CG 3.3Å; K2162-D2166 PolarHBondContact O-N 3.32Å; S2163-D2166 PolarHBondContact O-N 3.25Å; D2166-T2169 WeakPolarHBondContact CA-OG1 3.21Å; D2166-T2169 PolarHBondContact O-N 2.83Å; D2166-T2169 PolarHBondContact O-OG1 3.25Å; D2166-S2170 WeakPolarHBondContact O-CB 3.27Å; D2166-S2170 PolarHBondContact O-N 3.13Å; D2166-S2170 VanDerWaalsContact O-N 3.12Å; D2166-S2170 PolarHBondContact O-OG 3.1Å; D2166-S2170 VanDerWaalsContact O-OG 3.14Å; D2166-Q2261 VanDerWaalsContact OD1-CG 3.23Å; D2166-Q2261 WeakPolarHBondContact OD1-CG 3.26Å; D2166-Q2261 PolarHBondContact OD1-NE2 3.09Å; D2166-Q2261 PolarHBondContact OD2-NE2 3.15Å |
| 2167 | L | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.3 | -39.8 | 170.8 | 177.7 | 57.8 | 0 | 0 | 0 | 111.5 | F2076 P2089 M2092 S2093 L2096 L2135 L2139 S2163 T2164 V2165 T2169 S2170 I2171 | F2076-L2167 HydrophobicContact CE2-CD1 4.42Å; P2089-L2167 HydrophobicContact CB-CD2 4.5Å; M2092-L2167 HydrophobicContact CB-CD1 3.91Å; M2092-L2167 HydrophobicContact CB-CD2 3.9Å; M2092-L2167 HydrophobicContact CE-CD2 4.21Å; M2092-L2167 HydrophobicContact SD-CD2 4.18Å; S2093-L2167 PolarHBondContact OG-N 2.93Å; L2096-L2167 HydrophobicContact CD2-CD1 4.32Å; L2135-L2167 HydrophobicContact CD2-CD1 4.45Å; L2135-L2167 HydrophobicContact CD2-CD2 4.39Å; L2139-L2167 HydrophobicContact CD1-CB 4.46Å; L2139-L2167 HydrophobicContact CD1-CD2 3.99Å; L2139-L2167 HydrophobicContact CD1-CG 3.93Å; L2139-L2167 HydrophobicContact CD2-CD2 4.01Å; S2163-L2167 VanDerWaalsContact O-CB 3.28Å; S2163-L2167 WeakPolarHBondContact O-CB 3.25Å; S2163-L2167 PolarHBondContact O-N 3.11Å; T2164-L2167 PolarHBondContact O-N 3.3Å; V2165-L2167 VanDerWaalsContact C-N 3.31Å; V2165-L2167 PolarHBondContact O-N 3.06Å; L2167-T2169 VanDerWaalsContact C-N 3.31Å; L2167-T2169 PolarHBondContact O-N 3.2Å; L2167-S2170 WeakPolarHBondContact O-CB 3.43Å; L2167-S2170 PolarHBondContact O-N 3.08Å; L2167-S2170 VanDerWaalsContact O-N 3.13Å; L2167-I2171 HydrophobicContact CD1-CD1 4.43Å; L2167-I2171 HydrophobicContact CD1-CG1 4.45Å; L2167-I2171 HydrophobicContact CG-CD1 4.3Å; L2167-I2171 VanDerWaalsContact O-CG1 3.28Å; L2167-I2171 WeakPolarHBondContact O-CG1 3.32Å; L2167-I2171 PolarHBondContact O-N 3.08Å |
| 2168 | L | 94.9 | Very high | 93.4 | Very high | 0.25 Ų | 0.25 | 29 Ų | 29 | 0% | 0.001 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.1 | -39.2 | 175.3 | -167.2 | 72.5 | 0 | 0 | 0 | 111.8 | H2136 L2139 L2143 T2164 V2165 S2170 I2171 T2172 V2190 V2191 | H2136-L2168 VanDerWaalsContact CD2-CD1 3.42Å; H2136-L2168 WeakPolarHBondContact CD2-CD1 3.48Å; L2139-L2168 HydrophobicContact CB-CD1 4.39Å; L2139-L2168 HydrophobicContact CD1-CD1 4.35Å; L2143-L2168 HydrophobicContact CD1-CD2 4.18Å; T2164-L2168 PolarHBondContact O-N 3.13Å; T2164-L2168 VanDerWaalsContact O-N 3.11Å; V2165-L2168 WeakPolarHBondContact O-CA 3.29Å; V2165-L2168 WeakPolarHBondContact O-CB 3.4Å; V2165-L2168 PolarHBondContact O-N 2.92Å; V2165-L2168 VanDerWaalsContact O-N 3.1Å; L2168-S2170 VanDerWaalsContact C-N 3.34Å; L2168-S2170 PolarHBondContact O-N 3.27Å; L2168-I2171 PolarHBondContact O-N 3.4Å; L2168-T2172 PolarHBondContact O-N 3.11Å; L2168-T2172 VanDerWaalsContact O-N 3.08Å; L2168-T2172 PolarHBondContact O-OG1 3.34Å; L2168-V2190 HydrophobicContact CD2-CB 4.2Å; L2168-V2190 HydrophobicContact CD2-CG1 3.95Å; L2168-V2191 HydrophobicContact CD2-CG2 3.94Å |
| 2169 | T | 93.2 | Very high | 93.1 | Very high | 40.75 Ų | 40.75 | 29.4 Ų | 29.4 | 25% | 0.25 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.1 | -41.1 | 172.5 | 70.4 | 0 | 0 | 0 | 0 | 111.4 | V2165 D2166 L2167 I2171 T2172 F2173 A2187 F2262 | V2165-T2169 WeakPolarHBondContact O-CG2 3.43Å; V2165-T2169 PolarHBondContact O-N 3.11Å; V2165-T2169 PolarHBondContact O-OG1 3.35Å; D2166-T2169 WeakPolarHBondContact CA-OG1 3.21Å; D2166-T2169 PolarHBondContact O-N 2.83Å; D2166-T2169 PolarHBondContact O-OG1 3.25Å; L2167-T2169 VanDerWaalsContact C-N 3.31Å; L2167-T2169 PolarHBondContact O-N 3.2Å; T2169-I2171 PolarHBondContact O-N 3.06Å; T2169-T2172 CarbonylContact O-C 3.55Å; T2169-T2172 WeakPolarHBondContact O-CB 3.45Å; T2169-T2172 PolarHBondContact O-N 3.24Å; T2169-T2172 VanDerWaalsContact O-N 3.13Å; T2169-F2173 WeakPolarHBondContact O-CB 3.21Å; T2169-F2173 PolarHBondContact O-N 3.17Å; T2169-A2187 HydrophobicContact CG2-CB 4.09Å; T2169-F2262 HydrophobicContact CG2-CE1 4.21Å; T2169-F2262 HydrophobicContact CG2-CE2 4.22Å; T2169-F2262 HydrophobicContact CG2-CZ 3.51Å; T2169-F2262 VanDerWaalsContact CG2-CZ 3.45Å |
| 2170 | S | 94.3 | Very high | 92.8 | Very high | 20.25 Ų | 20.25 | 28.1 Ų | 28.1 | 14% | 0.142 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.3 | -38.3 | 176.7 | -65.3 | 0 | 0 | 0 | 0 | 112.9 | S2093 D2166 L2167 L2168 F2173 F2174 | S2093-S2170 PolarHBondContact OG-OG 3.06Å; S2093-S2170 VanDerWaalsContact OG-OG 3.05Å; D2166-S2170 WeakPolarHBondContact O-CB 3.27Å; D2166-S2170 PolarHBondContact O-N 3.13Å; D2166-S2170 VanDerWaalsContact O-N 3.12Å; D2166-S2170 PolarHBondContact O-OG 3.1Å; D2166-S2170 VanDerWaalsContact O-OG 3.14Å; L2167-S2170 WeakPolarHBondContact O-CB 3.43Å; L2167-S2170 PolarHBondContact O-N 3.08Å; L2167-S2170 VanDerWaalsContact O-N 3.13Å; L2168-S2170 VanDerWaalsContact C-N 3.34Å; L2168-S2170 PolarHBondContact O-N 3.27Å; S2170-F2173 PolarHBondContact O-N 3.27Å; S2170-F2174 WeakPolarHBondContact O-CB 3.31Å; S2170-F2174 PolarHBondContact O-N 3.26Å |
| 2171 | I | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.3 | -44.4 | 172.3 | -64.6 | 164.2 | 0 | 0 | 0 | 110.6 | L2096 L2132 L2135 H2136 L2139 L2167 L2168 T2169 F2173 F2174 R2175 | L2096-I2171 HydrophobicContact CD2-CB 4.39Å; L2096-I2171 HydrophobicContact CD2-CG1 3.65Å; L2132-I2171 HydrophobicContact CB-CG2 4.46Å; L2132-I2171 HydrophobicContact CD2-CG1 4.14Å; L2135-I2171 HydrophobicContact CD2-CD1 3.86Å; L2135-I2171 HydrophobicContact CD2-CG1 4.47Å; L2135-I2171 HydrophobicContact CG-CD1 4.05Å; H2136-I2171 HydrophobicContact CB-CD1 4.43Å; H2136-I2171 HydrophobicContact CB-CG2 4.37Å; L2139-I2171 HydrophobicContact CD1-CD1 3.52Å; L2139-I2171 VanDerWaalsContact CD1-CD1 3.48Å; L2167-I2171 HydrophobicContact CD1-CD1 4.43Å; L2167-I2171 HydrophobicContact CD1-CG1 4.45Å; L2167-I2171 HydrophobicContact CG-CD1 4.3Å; L2167-I2171 VanDerWaalsContact O-CG1 3.28Å; L2167-I2171 WeakPolarHBondContact O-CG1 3.32Å; L2167-I2171 PolarHBondContact O-N 3.08Å; L2168-I2171 PolarHBondContact O-N 3.4Å; T2169-I2171 PolarHBondContact O-N 3.06Å; I2171-F2173 VanDerWaalsContact C-N 3.29Å; I2171-F2173 PolarHBondContact O-N 2.93Å; I2171-F2174 PolarHBondContact O-N 3.02Å; I2171-R2175 WeakPolarHBondContact O-CG 3.36Å; I2171-R2175 PolarHBondContact O-N 3.32Å |
| 2172 | T | 92.1 | Very high | 91.8 | Very high | 19 Ų | 19 | 38.6 Ų | 38.6 | 12% | 0.117 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63 | -40.8 | 177.6 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | L2168 T2169 R2175 M2176 P2184 P2185 | L2168-T2172 PolarHBondContact O-N 3.11Å; L2168-T2172 VanDerWaalsContact O-N 3.08Å; L2168-T2172 PolarHBondContact O-OG1 3.34Å; T2169-T2172 CarbonylContact O-C 3.55Å; T2169-T2172 WeakPolarHBondContact O-CB 3.45Å; T2169-T2172 PolarHBondContact O-N 3.24Å; T2169-T2172 VanDerWaalsContact O-N 3.13Å; T2172-R2175 WeakPolarHBondContact O-CB 3.28Å; T2172-R2175 PolarHBondContact O-N 3.17Å; T2172-M2176 PolarHBondContact O-N 2.97Å; T2172-P2184 HydrophobicContact CG2-CB 4.37Å; T2172-P2184 HydrophobicContact CG2-CG 4.33Å; T2172-P2185 VanDerWaalsContact CG2-O 3.31Å; T2172-P2185 WeakPolarHBondContact CG2-O 3.3Å; T2172-P2185 PolarHBondContact OG1-O 2.55Å |
| 2173 | F | 91.4 | Very high | 91.2 | Very high | 84 Ų | 84 | 40.9 Ų | 40.9 | 37% | 0.368 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.4 | -39.4 | 176.8 | -164.6 | -104.4 | 0 | 0 | 0 | 112.1 | N2100 T2169 S2170 I2171 R2175 M2176 K2177 | N2100-F2173 WeakPolarHBondContact ND2-CD1 3.31Å; N2100-F2173 WeakPolarHBondContact ND2-CE1 3.33Å; T2169-F2173 WeakPolarHBondContact O-CB 3.21Å; T2169-F2173 PolarHBondContact O-N 3.17Å; S2170-F2173 PolarHBondContact O-N 3.27Å; I2171-F2173 VanDerWaalsContact C-N 3.29Å; I2171-F2173 PolarHBondContact O-N 2.93Å; F2173-R2175 PolarHBondContact O-N 3.41Å; F2173-M2176 HydrophobicContact CD2-CE 3.5Å; F2173-M2176 VanDerWaalsContact CD2-CE 3.45Å; F2173-M2176 HydrophobicContact CE2-CE 3.65Å; F2173-M2176 HydrophobicContact CG-CE 4.38Å; F2173-M2176 PolarHBondContact O-N 2.95Å; F2173-M2176 VanDerWaalsContact O-N 3.16Å; F2173-K2177 HydrophobicContact CD1-CG 4.11Å; F2173-K2177 HydrophobicContact CD2-CG 4.32Å; F2173-K2177 HydrophobicContact CE1-CB 4.44Å; F2173-K2177 HydrophobicContact CE1-CG 3.77Å; F2173-K2177 HydrophobicContact CE2-CD 4.49Å; F2173-K2177 HydrophobicContact CE2-CG 3.98Å; F2173-K2177 HydrophobicContact CG-CG 4.35Å; F2173-K2177 HydrophobicContact CZ-CD 4.34Å; F2173-K2177 HydrophobicContact CZ-CG 3.69Å; F2173-K2177 WeakPolarHBondContact O-CB 3.35Å; F2173-K2177 PolarHBondContact O-N 3.32Å |
| 2174 | F | 93.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.9 | -44 | 172.5 | -175.9 | -85.8 | 0 | 0 | 0 | 112 | L2096 I2099 N2100 F2118 F2128 L2132 S2170 I2171 M2176 K2177 V2178 Q2179 | L2096-F2174 HydrophobicContact CD1-CB 4.45Å; L2096-F2174 HydrophobicContact CD1-CD2 3.93Å; L2096-F2174 HydrophobicContact CD1-CE2 4.45Å; L2096-F2174 HydrophobicContact CD1-CG 4.26Å; I2099-F2174 HydrophobicContact CG2-CE2 4.11Å; N2100-F2174 HydrophobicContact CB-CD2 4.05Å; N2100-F2174 WeakPolarHBondContact OD1-CA 3.41Å; F2118-F2174 HydrophobicContact CD1-CZ 4.38Å; F2118-F2174 HydrophobicContact CD2-CZ 4.22Å; F2118-F2174 AromaticContact CE1-CE1 3.94Å; F2118-F2174 HydrophobicContact CE1-CE1 4Å; F2118-F2174 AromaticContact CE1-CZ 3.92Å; F2118-F2174 HydrophobicContact CE1-CZ 3.95Å; F2118-F2174 AromaticContact CE2-CZ 3.8Å; F2118-F2174 HydrophobicContact CE2-CZ 3.8Å; F2118-F2174 HydrophobicContact CG-CZ 4.48Å; F2118-F2174 AromaticContact CZ-CE1 3.93Å; F2118-F2174 HydrophobicContact CZ-CE1 3.98Å; F2118-F2174 AromaticContact CZ-CZ 3.66Å; F2118-F2174 HydrophobicContact CZ-CZ 3.66Å; F2128-F2174 HydrophobicContact CD1-CE1 4.24Å; F2128-F2174 AromaticContact CD1-CZ 3.91Å; F2128-F2174 HydrophobicContact CD1-CZ 3.91Å; F2128-F2174 HydrophobicContact CE1-CE1 4.29Å; F2128-F2174 HydrophobicContact CE1-CE2 4.07Å; F2128-F2174 AromaticContact CE1-CZ 3.82Å; F2128-F2174 HydrophobicContact CE1-CZ 3.82Å; L2132-F2174 HydrophobicContact CD1-CD1 3.42Å; L2132-F2174 VanDerWaalsContact CD1-CD1 3.45Å; L2132-F2174 HydrophobicContact CD1-CE1 3.52Å; L2132-F2174 VanDerWaalsContact CD1-CE1 3.5Å; L2132-F2174 HydrophobicContact CD1-CG 4.15Å; L2132-F2174 HydrophobicContact CD1-CZ 4.32Å; S2170-F2174 WeakPolarHBondContact O-CB 3.31Å; S2170-F2174 PolarHBondContact O-N 3.26Å; I2171-F2174 PolarHBondContact O-N 3.02Å; F2174-M2176 VanDerWaalsContact C-N 3.31Å; F2174-M2176 PolarHBondContact O-N 3.2Å; F2174-K2177 PolarHBondContact O-N 3.2Å; F2174-V2178 HydrophobicContact CD1-CB 4.45Å; F2174-V2178 HydrophobicContact CD2-CB 4.06Å; F2174-V2178 HydrophobicContact CD2-CG1 4.37Å; F2174-V2178 HydrophobicContact CD2-CG2 4.14Å; F2174-V2178 HydrophobicContact CE1-CB 4.28Å; F2174-V2178 HydrophobicContact CE1-CG1 4.13Å; F2174-V2178 HydrophobicContact CE2-CB 3.85Å; F2174-V2178 HydrophobicContact CE2-CG1 3.71Å; F2174-V2178 HydrophobicContact CE2-CG2 4.06Å; F2174-V2178 HydrophobicContact CG-CB 4.36Å; F2174-V2178 HydrophobicContact CZ-CB 3.96Å; F2174-V2178 HydrophobicContact CZ-CG1 3.54Å; F2174-V2178 VanDerWaalsContact CZ-CG1 3.49Å; F2174-V2178 HydrophobicContact CZ-CG2 4.46Å; F2174-V2178 WeakPolarHBondContact O-CA 3.24Å; F2174-V2178 WeakPolarHBondContact O-CB 3.37Å; F2174-V2178 PolarHBondContact O-N 2.9Å; F2174-Q2179 HydrophobicContact CD1-CG 4.35Å; F2174-Q2179 HydrophobicContact CE1-CG 4.2Å; F2174-Q2179 PolarHBondContact O-N 3Å; F2174-Q2179 VanDerWaalsContact O-N 3.15Å |
| 2175 | R | 92.4 | Very high | 90.1 | Very high | 18.75 Ų | 18.75 | 44.5 Ų | 44.5 | 7% | 0.071 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.5 | -41.2 | 173.4 | -71.5 | -171.1 | 178.2 | 140 | -4.7 | 112 | D2133 H2136 I2171 T2172 F2173 Q2179 E2180 L2181 P2184 | D2133-R2175 IonicContact OD1-CZ 3.11Å; D2133-R2175 IonicContact OD1-NE 3.29Å; D2133-R2175 PolarHBondContact OD1-NE 2.93Å; D2133-R2175 IonicContact OD1-NH2 3.12Å; D2133-R2175 PolarHBondContact OD1-NH2 3.16Å; H2136-R2175 PolarHBondContact CD2-NH1 2.88Å; H2136-R2175 VanDerWaalsContact CD2-NH1 3.3Å; H2136-R2175 PolarHBondContact NE2-NH1 3.15Å; H2136-R2175 VanDerWaalsContact NE2-NH1 3.18Å; I2171-R2175 WeakPolarHBondContact O-CG 3.36Å; I2171-R2175 PolarHBondContact O-N 3.32Å; T2172-R2175 WeakPolarHBondContact O-CB 3.28Å; T2172-R2175 PolarHBondContact O-N 3.17Å; F2173-R2175 PolarHBondContact O-N 3.41Å; R2175-Q2179 WeakPolarHBondContact O-CB 3.34Å; R2175-Q2179 PolarHBondContact O-N 3.04Å; R2175-E2180 PolarHBondContact O-N 3.11Å; R2175-L2181 HydrophobicContact CB-CD1 4.24Å; R2175-L2181 HydrophobicContact CG-CD1 4.37Å; R2175-L2181 PolarHBondContact O-N 2.95Å; R2175-L2181 VanDerWaalsContact O-N 3.15Å; R2175-P2184 HydrophobicContact CB-CB 3.86Å |
| 2176 | M | 88.9 | Confident | 89.8 | Confident | 83.75 Ų | 83.75 | 51.4 Ų | 51.4 | 41% | 0.413 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -72.6 | -41.1 | 179.3 | -171.7 | 178.8 | 60.4 | 0 | 0 | 113.7 | T2172 F2173 F2174 E2180 P2184 | T2172-M2176 PolarHBondContact O-N 2.97Å; F2173-M2176 HydrophobicContact CD2-CE 3.5Å; F2173-M2176 VanDerWaalsContact CD2-CE 3.45Å; F2173-M2176 HydrophobicContact CE2-CE 3.65Å; F2173-M2176 HydrophobicContact CG-CE 4.38Å; F2173-M2176 PolarHBondContact O-N 2.95Å; F2173-M2176 VanDerWaalsContact O-N 3.16Å; F2174-M2176 VanDerWaalsContact C-N 3.31Å; F2174-M2176 PolarHBondContact O-N 3.2Å; M2176-E2180 WeakPolarHBondContact O-CA 3.27Å; M2176-P2184 HydrophobicContact CB-CG 4.15Å |
| 2177 | K | 89.2 | Confident | 89.7 | Confident | 95 Ų | 95 | 49.6 Ų | 49.6 | 41% | 0.413 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -100.7 | -23.4 | -170.2 | -68.2 | -57.6 | -167.3 | -175.1 | 0 | 115.3 | A2114 F2173 F2174 | A2114-K2177 VanDerWaalsContact CB-O 3.29Å; A2114-K2177 WeakPolarHBondContact CB-O 3.37Å; F2173-K2177 HydrophobicContact CD1-CG 4.11Å; F2173-K2177 HydrophobicContact CD2-CG 4.32Å; F2173-K2177 HydrophobicContact CE1-CB 4.44Å; F2173-K2177 HydrophobicContact CE1-CG 3.77Å; F2173-K2177 HydrophobicContact CE2-CD 4.49Å; F2173-K2177 HydrophobicContact CE2-CG 3.98Å; F2173-K2177 HydrophobicContact CG-CG 4.35Å; F2173-K2177 HydrophobicContact CZ-CD 4.34Å; F2173-K2177 HydrophobicContact CZ-CG 3.69Å; F2173-K2177 WeakPolarHBondContact O-CB 3.35Å; F2173-K2177 PolarHBondContact O-N 3.32Å; F2174-K2177 PolarHBondContact O-N 3.2Å |
| 2178 | V | 89 | Confident | 89.5 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | -31.9 | -178.2 | 175.3 | 0 | 0 | 0 | 0 | 112.4 | N2100 Y2103 A2104 A2114 S2115 F2118 F2174 E2180 | N2100-V2178 WeakPolarHBondContact OD1-CG2 3.4Å; Y2103-V2178 HydrophobicContact CD2-CG1 4.35Å; Y2103-V2178 HydrophobicContact CG-CG1 4.35Å; A2104-V2178 HydrophobicContact CB-CG2 4.27Å; A2114-V2178 CarbonylContact C-O 3.44Å; S2115-V2178 WeakPolarHBondContact CA-O 3.39Å; S2115-V2178 WeakPolarHBondContact CB-O 3.44Å; S2115-V2178 PolarHBondContact N-O 3.23Å; S2115-V2178 VanDerWaalsContact N-O 3.15Å; F2118-V2178 HydrophobicContact CB-CG1 3.57Å; F2118-V2178 HydrophobicContact CD1-CG1 3.78Å; F2118-V2178 HydrophobicContact CD2-CG1 4.14Å; F2118-V2178 HydrophobicContact CE1-CG1 4.48Å; F2118-V2178 HydrophobicContact CG-CG1 3.56Å; F2174-V2178 HydrophobicContact CD1-CB 4.45Å; F2174-V2178 HydrophobicContact CD2-CB 4.06Å; F2174-V2178 HydrophobicContact CD2-CG1 4.37Å; F2174-V2178 HydrophobicContact CD2-CG2 4.14Å; F2174-V2178 HydrophobicContact CE1-CB 4.28Å; F2174-V2178 HydrophobicContact CE1-CG1 4.13Å; F2174-V2178 HydrophobicContact CE2-CB 3.85Å; F2174-V2178 HydrophobicContact CE2-CG1 3.71Å; F2174-V2178 HydrophobicContact CE2-CG2 4.06Å; F2174-V2178 HydrophobicContact CG-CB 4.36Å; F2174-V2178 HydrophobicContact CZ-CB 3.96Å; F2174-V2178 HydrophobicContact CZ-CG1 3.54Å; F2174-V2178 VanDerWaalsContact CZ-CG1 3.49Å; F2174-V2178 HydrophobicContact CZ-CG2 4.46Å; F2174-V2178 WeakPolarHBondContact O-CA 3.24Å; F2174-V2178 WeakPolarHBondContact O-CB 3.37Å; F2174-V2178 PolarHBondContact O-N 2.9Å; V2178-E2180 VanDerWaalsContact C-N 3.32Å |
| 2179 | Q | 88.2 | Confident | 89.5 | Confident | 28.25 Ų | 28.25 | 53.5 Ų | 53.5 | 13% | 0.132 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -86.9 | -15.3 | 168.2 | -55.5 | 179.1 | -6 | 0 | 0 | 112.7 | S2115 F2118 V2129 F2174 R2175 L2181 | S2115-Q2179 PolarHBondContact OG-O 3.29Å; F2118-Q2179 HydrophobicContact CE1-CG 4.41Å; V2129-Q2179 HydrophobicContact CG2-CG 4.5Å; V2129-Q2179 VanDerWaalsContact CG2-NE2 3.28Å; F2174-Q2179 HydrophobicContact CD1-CG 4.35Å; F2174-Q2179 HydrophobicContact CE1-CG 4.2Å; F2174-Q2179 PolarHBondContact O-N 3Å; F2174-Q2179 VanDerWaalsContact O-N 3.15Å; R2175-Q2179 WeakPolarHBondContact O-CB 3.34Å; R2175-Q2179 PolarHBondContact O-N 3.04Å; Q2179-L2181 VanDerWaalsContact C-N 3.26Å; Q2179-L2181 HydrophobicContact CB-CD1 4.45Å; Q2179-L2181 HydrophobicContact CB-CG 4Å; Q2179-L2181 PolarHBondContact O-N 3.12Å |
| 2180 | E | 86.6 | Confident | 89.5 | Confident | 88.5 Ų | 88.5 | 52 Ų | 52 | 41% | 0.414 | 27% | 0.271 | S | S | . | . | trans | 58.9 | 31.6 | -179 | -64.9 | 164 | 157.7 | 0 | 0 | 112.8 | S2113 A2114 S2115 R2175 M2176 V2178 T2182 | S2113-E2180 WeakPolarHBondContact CB-OE1 3.37Å; S2113-E2180 VanDerWaalsContact CB-OE2 3.28Å; S2113-E2180 WeakPolarHBondContact CB-OE2 3.39Å; S2113-E2180 PolarHBondContact OG-OE1 3.39Å; S2113-E2180 PolarHBondContact OG-OE2 3.28Å; A2114-E2180 HydrophobicContact CB-CG 4.32Å; A2114-E2180 WeakPolarHBondContact CB-OE1 3.42Å; A2114-E2180 PolarHBondContact N-OE1 3.1Å; A2114-E2180 PolarHBondContact N-OE2 3.31Å; S2115-E2180 WeakPolarHBondContact CB-OE2 3.36Å; S2115-E2180 PolarHBondContact N-OE2 3.26Å; R2175-E2180 PolarHBondContact O-N 3.11Å; M2176-E2180 WeakPolarHBondContact O-CA 3.27Å; V2178-E2180 VanDerWaalsContact C-N 3.32Å; E2180-T2182 PolarHBondContact O-N 3.36Å | ||
| 2181 | L | 86.3 | Confident | 89.5 | Confident | 80.5 Ų | 80.5 | 51.3 Ų | 51.3 | 42% | 0.421 | 27% | 0.265 | S | S | . | . | trans | -69.6 | 132.6 | 174.5 | -64 | -178.4 | 0 | 0 | 0 | 110.8 | R2175 Q2179 S2183 P2184 | R2175-L2181 HydrophobicContact CB-CD1 4.24Å; R2175-L2181 HydrophobicContact CG-CD1 4.37Å; R2175-L2181 PolarHBondContact O-N 2.95Å; R2175-L2181 VanDerWaalsContact O-N 3.15Å; Q2179-L2181 VanDerWaalsContact C-N 3.26Å; Q2179-L2181 HydrophobicContact CB-CD1 4.45Å; Q2179-L2181 HydrophobicContact CB-CG 4Å; Q2179-L2181 PolarHBondContact O-N 3.12Å; L2181-S2183 VanDerWaalsContact C-N 3.33Å; L2181-S2183 PolarHBondContact O-N 3.06Å; L2181-P2184 HydrophobicContact CB-CB 4.44Å; L2181-P2184 WeakPolarHBondContact O-CD 3.38Å | ||
| 2182 | T | 82.3 | Confident | 89.5 | Confident | 143.25 Ų | 143.25 | 53.7 Ų | 53.7 | 88% | 0.879 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -69.6 | -37.1 | -179.6 | 49.1 | 0 | 0 | 0 | 0 | 113.3 | E2180 P2184 | E2180-T2182 PolarHBondContact O-N 3.36Å; T2182-P2184 VanDerWaalsContact C-CD 3.43Å |
| 2183 | S | 81 | Confident | 89.7 | Confident | 98.75 Ų | 98.75 | 57.1 Ų | 57.1 | 69% | 0.691 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -135 | 61.8 | -174.4 | 59.5 | 0 | 0 | 0 | 0 | 113 | L2181 | L2181-S2183 VanDerWaalsContact C-N 3.33Å; L2181-S2183 PolarHBondContact O-N 3.06Å |
| 2184 | P | 82.4 | Confident | 89.9 | Confident | 24 Ų | 24 | 53.3 Ų | 53.3 | 16% | 0.156 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 148.3 | 175.4 | 29.4 | -34.4 | 0 | 0 | 0 | 111 | T2172 R2175 M2176 L2181 T2182 R2186 | T2172-P2184 HydrophobicContact CG2-CB 4.37Å; T2172-P2184 HydrophobicContact CG2-CG 4.33Å; R2175-P2184 HydrophobicContact CB-CB 3.86Å; M2176-P2184 HydrophobicContact CB-CG 4.15Å; L2181-P2184 HydrophobicContact CB-CB 4.44Å; L2181-P2184 WeakPolarHBondContact O-CD 3.38Å; T2182-P2184 VanDerWaalsContact C-CD 3.43Å; P2184-R2186 PolarHBondContact O-N 3.31Å; P2184-R2186 VanDerWaalsContact O-N 3.1Å |
| 2185 | P | 86.1 | Confident | 89.9 | Confident | 65.75 Ų | 65.75 | 53.4 Ų | 53.4 | 43% | 0.427 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 118.3 | 178.1 | -28.4 | 35.2 | 0 | 0 | 0 | 112.1 | T2172 A2187 V2190 | T2172-P2185 VanDerWaalsContact CG2-O 3.31Å; T2172-P2185 WeakPolarHBondContact CG2-O 3.3Å; T2172-P2185 PolarHBondContact OG1-O 2.55Å; P2185-A2187 PolarHBondContact O-N 2.85Å; P2185-V2190 HydrophobicContact CB-CG2 4.21Å |
| 2186 | R | 89.2 | Confident | 90.1 | Very high | 145.75 Ų | 145.75 | 55.5 Ų | 55.5 | 55% | 0.55 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 119.9 | -172.5 | -162.9 | 179 | -174.9 | -164.2 | -6.2 | 110.1 | P2184 S2188 Q2189 V2190 E2265 | P2184-R2186 PolarHBondContact O-N 3.31Å; P2184-R2186 VanDerWaalsContact O-N 3.1Å; R2186-S2188 VanDerWaalsContact C-N 3.25Å; R2186-S2188 WeakPolarHBondContact CD-OG 3.41Å; R2186-S2188 WeakPolarHBondContact CG-OG 3.34Å; R2186-S2188 PolarHBondContact NE-OG 3.48Å; R2186-S2188 PolarHBondContact O-N 3.02Å; R2186-S2188 VanDerWaalsContact O-N 3.12Å; R2186-Q2189 HydrophobicContact CB-CB 4.41Å; R2186-Q2189 WeakPolarHBondContact O-CB 3.32Å; R2186-Q2189 PolarHBondContact O-N 3.04Å; R2186-Q2189 VanDerWaalsContact O-N 3.1Å; R2186-V2190 PolarHBondContact O-N 3.08Å; R2186-V2190 VanDerWaalsContact O-N 3.11Å; R2186-E2265 VanDerWaalsContact CZ-CD 3.5Å; R2186-E2265 IonicContact CZ-OE1 3.32Å; R2186-E2265 IonicContact CZ-OE2 3.42Å; R2186-E2265 VanDerWaalsContact CZ-OE2 3.3Å; R2186-E2265 IonicContact NE-OE1 3.37Å; R2186-E2265 PolarHBondContact NE-OE1 2.71Å; R2186-E2265 IonicContact NE-OE2 3.84Å; R2186-E2265 PolarHBondContact NE-OE2 3.06Å; R2186-E2265 VanDerWaalsContact NH1-CD 3.26Å; R2186-E2265 IonicContact NH1-OE1 3.31Å; R2186-E2265 PolarHBondContact NH1-OE1 3.41Å; R2186-E2265 IonicContact NH1-OE2 3.34Å; R2186-E2265 PolarHBondContact NH1-OE2 3.14Å; R2186-E2265 VanDerWaalsContact NH1-OE2 3.09Å; R2186-E2265 IonicContact NH2-OE1 3.07Å; R2186-E2265 PolarHBondContact NH2-OE1 3.04Å; R2186-E2265 IonicContact NH2-OE2 3.33Å; R2186-E2265 PolarHBondContact NH2-OE2 3.15Å |
| 2187 | A | 91.6 | Very high | 90.3 | Very high | 5.5 Ų | 5.5 | 53.4 Ų | 53.4 | 5% | 0.045 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.3 | -35.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | T2169 P2185 Q2189 V2190 V2191 F2262 | T2169-A2187 HydrophobicContact CG2-CB 4.09Å; P2185-A2187 PolarHBondContact O-N 2.85Å; A2187-Q2189 PolarHBondContact O-N 3.33Å; A2187-V2190 PolarHBondContact O-N 3.22Å; A2187-V2191 WeakPolarHBondContact O-CB 3.31Å; A2187-V2191 VanDerWaalsContact O-CG2 3.29Å; A2187-V2191 WeakPolarHBondContact O-CG2 3.45Å; A2187-V2191 PolarHBondContact O-N 3.32Å; A2187-F2262 HydrophobicContact CB-CE1 4.25Å; A2187-F2262 HydrophobicContact CB-CE2 4.23Å; A2187-F2262 HydrophobicContact CB-CZ 3.68Å |
| 2188 | S | 92.8 | Very high | 90.6 | Very high | 3.25 Ų | 3.25 | 48.9 Ų | 48.9 | 2% | 0.023 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 175.3 | 54.9 | 0 | 0 | 0 | 0 | 112.8 | R2186 V2190 V2191 K2192 E2265 V2266 | R2186-S2188 VanDerWaalsContact C-N 3.25Å; R2186-S2188 WeakPolarHBondContact CD-OG 3.41Å; R2186-S2188 WeakPolarHBondContact CG-OG 3.34Å; R2186-S2188 PolarHBondContact NE-OG 3.48Å; R2186-S2188 PolarHBondContact O-N 3.02Å; R2186-S2188 VanDerWaalsContact O-N 3.12Å; S2188-V2190 PolarHBondContact O-N 3.1Å; S2188-V2191 CarbonylContact O-C 3.53Å; S2188-V2191 WeakPolarHBondContact O-CA 3.42Å; S2188-V2191 PolarHBondContact O-N 3.15Å; S2188-V2191 VanDerWaalsContact O-N 3.12Å; S2188-K2192 VanDerWaalsContact O-CB 3.32Å; S2188-K2192 WeakPolarHBondContact O-CB 3.37Å; S2188-K2192 PolarHBondContact O-N 3.05Å; S2188-E2265 WeakPolarHBondContact CB-OE2 3.27Å; S2188-E2265 PolarHBondContact OG-OE2 3.23Å; S2188-V2266 WeakPolarHBondContact O-CG2 3.21Å |
| 2189 | Q | 93.4 | Very high | 90.9 | Very high | 78.5 Ų | 78.5 | 48.9 Ų | 48.9 | 37% | 0.367 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.8 | -42.4 | 177.3 | 179 | 61.6 | 16.9 | 0 | 0 | 111.5 | R2186 A2187 V2191 K2192 E2193 | R2186-Q2189 HydrophobicContact CB-CB 4.41Å; R2186-Q2189 WeakPolarHBondContact O-CB 3.32Å; R2186-Q2189 PolarHBondContact O-N 3.04Å; R2186-Q2189 VanDerWaalsContact O-N 3.1Å; A2187-Q2189 PolarHBondContact O-N 3.33Å; Q2189-V2191 VanDerWaalsContact C-N 3.31Å; Q2189-V2191 PolarHBondContact O-N 3.17Å; Q2189-K2192 WeakPolarHBondContact O-CA 3.5Å; Q2189-K2192 WeakPolarHBondContact O-CB 3.36Å; Q2189-K2192 PolarHBondContact O-N 2.85Å; Q2189-K2192 VanDerWaalsContact O-N 3.13Å; Q2189-E2193 WeakPolarHBondContact CG-OE1 3.31Å; Q2189-E2193 PolarHBondContact NE2-OE1 3.33Å; Q2189-E2193 WeakPolarHBondContact O-CG 3.39Å; Q2189-E2193 PolarHBondContact O-N 3.09Å |
| 2190 | V | 94.3 | Very high | 91.1 | Very high | 10.25 Ų | 10.25 | 51.3 Ų | 51.3 | 6% | 0.062 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 176 | -179.6 | 0 | 0 | 0 | 0 | 111 | R2140 L2168 P2185 R2186 A2187 S2188 K2192 E2193 C2194 | R2140-V2190 HydrophobicContact CG-CG1 4.11Å; L2168-V2190 HydrophobicContact CD2-CB 4.2Å; L2168-V2190 HydrophobicContact CD2-CG1 3.95Å; P2185-V2190 HydrophobicContact CB-CG2 4.21Å; R2186-V2190 PolarHBondContact O-N 3.08Å; R2186-V2190 VanDerWaalsContact O-N 3.11Å; A2187-V2190 PolarHBondContact O-N 3.22Å; S2188-V2190 PolarHBondContact O-N 3.1Å; V2190-K2192 VanDerWaalsContact C-N 3.33Å; V2190-K2192 PolarHBondContact O-N 3.34Å; V2190-E2193 PolarHBondContact O-N 3.11Å; V2190-C2194 WeakPolarHBondContact O-CB 3.39Å; V2190-C2194 PolarHBondContact O-N 2.97Å; V2190-C2194 PolarHBondContact O-SG 3.11Å |
| 2191 | V | 94.9 | Very high | 91.4 | Very high | 4.5 Ų | 4.5 | 49.2 Ų | 49.2 | 3% | 0.027 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 174.3 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | L2143 V2165 L2168 A2187 S2188 Q2189 E2193 C2194 A2195 I2259 F2262 V2266 | L2143-V2191 HydrophobicContact CD1-CG2 4.49Å; V2165-V2191 HydrophobicContact CG1-CG2 4.12Å; V2165-V2191 HydrophobicContact CG2-CG2 4.26Å; L2168-V2191 HydrophobicContact CD2-CG2 3.94Å; A2187-V2191 WeakPolarHBondContact O-CB 3.31Å; A2187-V2191 VanDerWaalsContact O-CG2 3.29Å; A2187-V2191 WeakPolarHBondContact O-CG2 3.45Å; A2187-V2191 PolarHBondContact O-N 3.32Å; S2188-V2191 CarbonylContact O-C 3.53Å; S2188-V2191 WeakPolarHBondContact O-CA 3.42Å; S2188-V2191 PolarHBondContact O-N 3.15Å; S2188-V2191 VanDerWaalsContact O-N 3.12Å; Q2189-V2191 VanDerWaalsContact C-N 3.31Å; Q2189-V2191 PolarHBondContact O-N 3.17Å; V2191-E2193 VanDerWaalsContact C-N 3.31Å; V2191-E2193 PolarHBondContact O-N 3.21Å; V2191-C2194 PolarHBondContact O-N 3.11Å; V2191-A2195 VanDerWaalsContact O-CB 3.3Å; V2191-A2195 WeakPolarHBondContact O-CB 3.42Å; V2191-A2195 PolarHBondContact O-N 3.27Å; V2191-I2259 HydrophobicContact CG1-CG2 4Å; V2191-F2262 HydrophobicContact CG2-CE2 4.34Å; V2191-V2266 HydrophobicContact CG1-CG1 4.04Å |
| 2192 | K | 94.4 | Very high | 91.7 | Very high | 50.25 Ų | 50.25 | 45.6 Ų | 45.6 | 22% | 0.218 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.2 | -42.2 | 176.7 | -170 | 174.1 | -175.4 | 172.2 | 0 | 111.9 | S2188 Q2189 V2190 A2195 R2196 V2266 I2271 | S2188-K2192 VanDerWaalsContact O-CB 3.32Å; S2188-K2192 WeakPolarHBondContact O-CB 3.37Å; S2188-K2192 PolarHBondContact O-N 3.05Å; Q2189-K2192 WeakPolarHBondContact O-CA 3.5Å; Q2189-K2192 WeakPolarHBondContact O-CB 3.36Å; Q2189-K2192 PolarHBondContact O-N 2.85Å; Q2189-K2192 VanDerWaalsContact O-N 3.13Å; V2190-K2192 VanDerWaalsContact C-N 3.33Å; V2190-K2192 PolarHBondContact O-N 3.34Å; K2192-A2195 PolarHBondContact O-N 3.38Å; K2192-R2196 WeakPolarHBondContact O-CB 3.26Å; K2192-R2196 VanDerWaalsContact O-CG 3.29Å; K2192-R2196 WeakPolarHBondContact O-CG 3.39Å; K2192-R2196 PolarHBondContact O-N 3.28Å; K2192-R2196 VanDerWaalsContact O-N 3.09Å; K2192-V2266 HydrophobicContact CB-CG2 4.41Å; K2192-I2271 HydrophobicContact CG-CD1 4.04Å |
| 2193 | E | 94.7 | Very high | 92.3 | Very high | 91.5 Ų | 91.5 | 39 Ų | 39 | 43% | 0.428 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.4 | -44.3 | 174.7 | -72.7 | 167.1 | -166.4 | 0 | 0 | 112.3 | Q2189 V2190 V2191 A2195 R2196 A2197 | Q2189-E2193 WeakPolarHBondContact CG-OE1 3.31Å; Q2189-E2193 PolarHBondContact NE2-OE1 3.33Å; Q2189-E2193 WeakPolarHBondContact O-CG 3.39Å; Q2189-E2193 PolarHBondContact O-N 3.09Å; V2190-E2193 PolarHBondContact O-N 3.11Å; V2191-E2193 VanDerWaalsContact C-N 3.31Å; V2191-E2193 PolarHBondContact O-N 3.21Å; E2193-A2195 VanDerWaalsContact C-N 3.32Å; E2193-A2195 PolarHBondContact O-N 3.15Å; E2193-R2196 PolarHBondContact O-N 2.97Å; E2193-A2197 WeakPolarHBondContact O-CB 3.26Å; E2193-A2197 PolarHBondContact O-N 3.12Å |
| 2194 | C | 95.7 | Very high | 92.8 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 3% | 0.027 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.9 | -42.8 | 175 | -67.3 | 0 | 0 | 0 | 0 | 112 | R2140 L2143 S2144 V2190 V2191 R2196 A2197 C2198 | R2140-C2194 VanDerWaalsContact CG-SG 3.54Å; R2140-C2194 WeakPolarHBondContact CG-SG 3.3Å; R2140-C2194 PolarHBondContact O-SG 3.09Å; R2140-C2194 VanDerWaalsContact O-SG 3.36Å; L2143-C2194 HydrophobicContact CB-CB 3.69Å; S2144-C2194 WeakPolarHBondContact CA-O 3.23Å; V2190-C2194 WeakPolarHBondContact O-CB 3.39Å; V2190-C2194 PolarHBondContact O-N 2.97Å; V2190-C2194 PolarHBondContact O-SG 3.11Å; V2191-C2194 PolarHBondContact O-N 3.11Å; C2194-R2196 VanDerWaalsContact C-N 3.34Å; C2194-R2196 PolarHBondContact O-N 3.19Å; C2194-A2197 PolarHBondContact O-N 3.03Å; C2194-C2198 WeakPolarHBondContact O-CB 3.29Å; C2194-C2198 PolarHBondContact O-N 3.01Å |
| 2195 | A | 94.9 | Very high | 93.2 | Very high | 1.5 Ų | 1.5 | 38.8 Ų | 38.8 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.7 | -51 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V2191 K2192 E2193 A2197 C2198 M2199 M2268 I2271 | V2191-A2195 VanDerWaalsContact O-CB 3.3Å; V2191-A2195 WeakPolarHBondContact O-CB 3.42Å; V2191-A2195 PolarHBondContact O-N 3.27Å; K2192-A2195 PolarHBondContact O-N 3.38Å; E2193-A2195 VanDerWaalsContact C-N 3.32Å; E2193-A2195 PolarHBondContact O-N 3.15Å; A2195-A2197 VanDerWaalsContact C-N 3.33Å; A2195-A2197 PolarHBondContact O-N 3.33Å; A2195-C2198 CarbonylContact O-C 3.54Å; A2195-C2198 WeakPolarHBondContact O-CB 3.36Å; A2195-C2198 PolarHBondContact O-N 2.97Å; A2195-C2198 VanDerWaalsContact O-N 3.1Å; A2195-M2199 HydrophobicContact CB-CE 4.07Å; A2195-M2199 HydrophobicContact CB-SD 4.32Å; A2195-M2199 WeakPolarHBondContact O-CB 3.37Å; A2195-M2199 VanDerWaalsContact O-CG 3.31Å; A2195-M2199 WeakPolarHBondContact O-CG 3.29Å; A2195-M2199 PolarHBondContact O-N 3.25Å; A2195-M2199 VanDerWaalsContact O-SD 3.37Å; A2195-M2268 HydrophobicContact CB-CE 3.82Å; A2195-M2268 HydrophobicContact CB-SD 3.7Å; A2195-M2268 VanDerWaalsContact CB-SD 3.57Å; A2195-I2271 HydrophobicContact CB-CG2 4.15Å |
| 2196 | R | 95.3 | Very high | 93.5 | Very high | 63.5 Ų | 63.5 | 35.7 Ų | 35.7 | 24% | 0.24 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.7 | -45.2 | 176.4 | -71.2 | -173.1 | 169.2 | 137 | -13.3 | 112.7 | A1431 K2192 E2193 C2194 C2198 M2199 Q2200 I2271 | A1431-R2196 PolarHBondContact O-NH1 2.77Å; A1431-R2196 PolarHBondContact O-NH2 2.71Å; K2192-R2196 WeakPolarHBondContact O-CB 3.26Å; K2192-R2196 VanDerWaalsContact O-CG 3.29Å; K2192-R2196 WeakPolarHBondContact O-CG 3.39Å; K2192-R2196 PolarHBondContact O-N 3.28Å; K2192-R2196 VanDerWaalsContact O-N 3.09Å; E2193-R2196 PolarHBondContact O-N 2.97Å; C2194-R2196 VanDerWaalsContact C-N 3.34Å; C2194-R2196 PolarHBondContact O-N 3.19Å; R2196-C2198 VanDerWaalsContact C-N 3.31Å; R2196-C2198 PolarHBondContact O-N 3.13Å; R2196-M2199 WeakPolarHBondContact O-CB 3.32Å; R2196-M2199 PolarHBondContact O-N 3.38Å; R2196-M2199 VanDerWaalsContact O-N 3.13Å; R2196-Q2200 WeakPolarHBondContact O-CB 3.41Å; R2196-Q2200 VanDerWaalsContact O-CG 3.32Å; R2196-Q2200 WeakPolarHBondContact O-CG 3.29Å; R2196-Q2200 PolarHBondContact O-N 3.01Å; R2196-I2271 HydrophobicContact CG-CG2 3.85Å |
| 2197 | A | 94.5 | Very high | 93.6 | Very high | 38.75 Ų | 38.75 | 31.3 Ų | 31.3 | 32% | 0.32 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -61.8 | -41.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S2144 E2193 C2194 A2195 M2199 Q2200 S2201 | S2144-A2197 CarbonylContact O-C 3.55Å; E2193-A2197 WeakPolarHBondContact O-CB 3.26Å; E2193-A2197 PolarHBondContact O-N 3.12Å; C2194-A2197 PolarHBondContact O-N 3.03Å; A2195-A2197 VanDerWaalsContact C-N 3.33Å; A2195-A2197 PolarHBondContact O-N 3.33Å; A2197-M2199 VanDerWaalsContact C-N 3.33Å; A2197-M2199 PolarHBondContact O-N 2.92Å; A2197-Q2200 PolarHBondContact O-N 3.21Å; A2197-S2201 PolarHBondContact O-N 3.11Å |
| 2198 | C | 95.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65 | -41.8 | 175 | -169.3 | 0 | 0 | 0 | 0 | 111.5 | S2144 Y2146 C2194 A2195 R2196 S2201 T2202 | S2144-C2198 WeakPolarHBondContact O-CA 3.32Å; S2144-C2198 VanDerWaalsContact O-CB 3.31Å; S2144-C2198 WeakPolarHBondContact O-CB 3.38Å; S2144-C2198 PolarHBondContact O-N 3.09Å; S2144-C2198 VanDerWaalsContact O-N 3.17Å; Y2146-C2198 HydrophobicContact CD1-CB 3.5Å; Y2146-C2198 VanDerWaalsContact CD1-CB 3.46Å; Y2146-C2198 VanDerWaalsContact CD1-SG 3.54Å; Y2146-C2198 WeakPolarHBondContact CD1-SG 3.43Å; Y2146-C2198 HydrophobicContact CE1-CB 3.48Å; Y2146-C2198 VanDerWaalsContact CE1-CB 3.45Å; Y2146-C2198 WeakPolarHBondContact CE1-SG 3.23Å; Y2146-C2198 PolarHBondContact N-SG 3.26Å; C2194-C2198 WeakPolarHBondContact O-CB 3.29Å; C2194-C2198 PolarHBondContact O-N 3.01Å; A2195-C2198 CarbonylContact O-C 3.54Å; A2195-C2198 WeakPolarHBondContact O-CB 3.36Å; A2195-C2198 PolarHBondContact O-N 2.97Å; A2195-C2198 VanDerWaalsContact O-N 3.1Å; R2196-C2198 VanDerWaalsContact C-N 3.31Å; R2196-C2198 PolarHBondContact O-N 3.13Å; C2198-S2201 PolarHBondContact O-N 3.15Å; C2198-S2201 PolarHBondContact O-OG 3.13Å; C2198-T2202 WeakPolarHBondContact O-CB 3.26Å; C2198-T2202 PolarHBondContact O-N 3.26Å; C2198-T2202 PolarHBondContact O-OG1 2.93Å |
| 2199 | M | 94.4 | Very high | 93.3 | Very high | 0.25 Ų | 0.25 | 38.8 Ų | 38.8 | 0% | 0.001 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.3 | -45.8 | 177.1 | -66.6 | -123 | 177.9 | 0 | 0 | 111.7 | Y2146 A2195 R2196 A2197 S2201 T2202 Y2203 D2251 M2268 I2271 S2272 C2275 M2276 | Y2146-M2199 HydrophobicContact CE1-CE 4.41Å; Y2146-M2199 WeakPolarHBondContact OH-CE 3.31Å; A2195-M2199 HydrophobicContact CB-CE 4.07Å; A2195-M2199 HydrophobicContact CB-SD 4.32Å; A2195-M2199 WeakPolarHBondContact O-CB 3.37Å; A2195-M2199 VanDerWaalsContact O-CG 3.31Å; A2195-M2199 WeakPolarHBondContact O-CG 3.29Å; A2195-M2199 PolarHBondContact O-N 3.25Å; A2195-M2199 VanDerWaalsContact O-SD 3.37Å; R2196-M2199 WeakPolarHBondContact O-CB 3.32Å; R2196-M2199 PolarHBondContact O-N 3.38Å; R2196-M2199 VanDerWaalsContact O-N 3.13Å; A2197-M2199 VanDerWaalsContact C-N 3.33Å; A2197-M2199 PolarHBondContact O-N 2.92Å; M2199-S2201 PolarHBondContact O-N 3.21Å; M2199-T2202 WeakPolarHBondContact O-CB 3.33Å; M2199-T2202 PolarHBondContact O-N 3.09Å; M2199-T2202 VanDerWaalsContact O-N 3.1Å; M2199-Y2203 PolarHBondContact O-N 3.05Å; M2199-D2251 WeakPolarHBondContact CE-OD2 3.19Å; M2199-M2268 HydrophobicContact CE-CE 3.6Å; M2199-M2268 HydrophobicContact CE-CG 4.14Å; M2199-M2268 HydrophobicContact CE-SD 3.48Å; M2199-M2268 VanDerWaalsContact CE-SD 3.55Å; M2199-M2268 WeakPolarHBondContact CE-SD 3.26Å; M2199-I2271 HydrophobicContact CE-CB 4.13Å; M2199-I2271 HydrophobicContact CE-CG2 4.22Å; M2199-I2271 VanDerWaalsContact SD-C 3.55Å; M2199-I2271 HydrophobicContact SD-CB 4.17Å; M2199-I2271 HydrophobicContact SD-CG2 3.6Å; M2199-I2271 VanDerWaalsContact SD-CG2 3.53Å; M2199-S2272 VanDerWaalsContact CE-CB 3.48Å; M2199-S2272 VanDerWaalsContact CE-N 3.33Å; M2199-S2272 VanDerWaalsContact SD-CA 3.54Å; M2199-S2272 WeakPolarHBondContact SD-CA 3.47Å; M2199-S2272 PolarHBondContact SD-N 3.02Å; M2199-C2275 HydrophobicContact CB-CB 3.92Å; M2199-C2275 HydrophobicContact CG-CB 4.13Å; M2199-C2275 HydrophobicContact SD-CB 4.24Å; M2199-M2276 HydrophobicContact CB-CE 3.94Å; M2199-M2276 HydrophobicContact CG-CE 4.29Å; M2199-M2276 VanDerWaalsContact O-CE 3.31Å; M2199-M2276 WeakPolarHBondContact O-CE 3.39Å; M2199-M2276 HydrophobicContact SD-CE 3.91Å |
| 2200 | Q | 93 | Very high | 93 | Very high | 77 Ų | 77 | 35.2 Ų | 35.2 | 36% | 0.36 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61.9 | -43.9 | 176.9 | -71.8 | 175.7 | -9.1 | 0 | 0 | 112 | R2196 A2197 T2202 Y2203 Q2204 | R2196-Q2200 WeakPolarHBondContact O-CB 3.41Å; R2196-Q2200 VanDerWaalsContact O-CG 3.32Å; R2196-Q2200 WeakPolarHBondContact O-CG 3.29Å; R2196-Q2200 PolarHBondContact O-N 3.01Å; A2197-Q2200 PolarHBondContact O-N 3.21Å; Q2200-T2202 VanDerWaalsContact C-N 3.28Å; Q2200-T2202 PolarHBondContact O-N 3.03Å; Q2200-Y2203 PolarHBondContact O-N 3.44Å; Q2200-Q2204 PolarHBondContact O-N 3.03Å; Q2200-Q2204 VanDerWaalsContact O-N 3.08Å |
| 2201 | S | 92 | Very high | 92.5 | Very high | 45.6667 Ų | 45.6667 | 35.9 Ų | 35.9 | 32% | 0.319 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -66.1 | -31.2 | 174.9 | 106.1 | 0 | 0 | 0 | 0 | 112.9 | A2197 C2198 M2199 F2205 | A2197-S2201 PolarHBondContact O-N 3.11Å; C2198-S2201 PolarHBondContact O-N 3.15Å; C2198-S2201 PolarHBondContact O-OG 3.13Å; M2199-S2201 PolarHBondContact O-N 3.21Å; S2201-F2205 VanDerWaalsContact O-CB 3.31Å; S2201-F2205 WeakPolarHBondContact O-CB 3.37Å; S2201-F2205 PolarHBondContact O-N 3.02Å; S2201-F2205 VanDerWaalsContact O-N 3.12Å |
| 2202 | T | 93.4 | Very high | 92 | Very high | 4.33333 Ų | 4.33333 | 40.3 Ų | 40.3 | 3% | 0.027 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -72.3 | -43.1 | 177.5 | -57.8 | 0 | 0 | 0 | 0 | 110.7 | V1694 R2147 C2198 M2199 Q2200 F2205 I2206 V2247 M2276 | V1694-T2202 HydrophobicContact CG2-CG2 3.96Å; R2147-T2202 WeakPolarHBondContact CD-OG1 3.43Å; C2198-T2202 WeakPolarHBondContact O-CB 3.26Å; C2198-T2202 PolarHBondContact O-N 3.26Å; C2198-T2202 PolarHBondContact O-OG1 2.93Å; M2199-T2202 WeakPolarHBondContact O-CB 3.33Å; M2199-T2202 PolarHBondContact O-N 3.09Å; M2199-T2202 VanDerWaalsContact O-N 3.1Å; Q2200-T2202 VanDerWaalsContact C-N 3.28Å; Q2200-T2202 PolarHBondContact O-N 3.03Å; T2202-F2205 PolarHBondContact O-N 3.26Å; T2202-I2206 HydrophobicContact CG2-CD1 3.87Å; T2202-I2206 WeakPolarHBondContact O-CB 3.44Å; T2202-I2206 VanDerWaalsContact O-CG1 3.3Å; T2202-I2206 WeakPolarHBondContact O-CG1 3.41Å; T2202-I2206 PolarHBondContact O-N 2.95Å; T2202-V2247 HydrophobicContact CG2-CG1 4.02Å; T2202-V2247 HydrophobicContact CG2-CG2 4.38Å; T2202-M2276 HydrophobicContact CG2-CE 4.13Å |
| 2203 | Y | 94.5 | Very high | 91.5 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.3 | -54.3 | 173.3 | -176.4 | -82.7 | 0 | 0 | 0 | 110.8 | M2199 Q2200 F2205 I2206 Y2207 L2244 M2276 R2279 L2280 D2283 | M2199-Y2203 PolarHBondContact O-N 3.05Å; Q2200-Y2203 PolarHBondContact O-N 3.44Å; Y2203-F2205 VanDerWaalsContact C-N 3.31Å; Y2203-F2205 PolarHBondContact O-N 3.14Å; Y2203-I2206 PolarHBondContact O-N 2.84Å; Y2203-I2206 VanDerWaalsContact O-N 3.13Å; Y2203-Y2207 AromaticContact CE1-CD2 3.89Å; Y2203-Y2207 HydrophobicContact CE1-CD2 3.98Å; Y2203-Y2207 HydrophobicContact CE1-CG 4.37Å; Y2203-Y2207 WeakPolarHBondContact O-CB 3.16Å; Y2203-Y2207 PolarHBondContact O-N 2.96Å; Y2203-L2244 HydrophobicContact CD2-CD1 4.26Å; Y2203-L2244 HydrophobicContact CD2-CD2 3.67Å; Y2203-L2244 HydrophobicContact CE2-CD1 3.77Å; Y2203-L2244 HydrophobicContact CE2-CD2 4.02Å; Y2203-M2276 HydrophobicContact CD2-SD 4.06Å; Y2203-R2279 HydrophobicContact CD1-CB 3.64Å; Y2203-R2279 HydrophobicContact CD1-CG 4.14Å; Y2203-R2279 HydrophobicContact CD2-CB 3.63Å; Y2203-R2279 HydrophobicContact CD2-CG 4.41Å; Y2203-R2279 HydrophobicContact CE1-CB 3.67Å; Y2203-R2279 HydrophobicContact CE1-CG 4.49Å; Y2203-R2279 HydrophobicContact CE2-CB 3.63Å; Y2203-R2279 HydrophobicContact CG-CB 3.65Å; Y2203-R2279 HydrophobicContact CG-CG 4.12Å; Y2203-R2279 PolarHBondContact OH-O 3.5Å; Y2203-L2280 HydrophobicContact CE2-CB 4.12Å; Y2203-L2280 WeakPolarHBondContact OH-CA 3.49Å; Y2203-D2283 WeakPolarHBondContact CE1-OD2 3.29Å; Y2203-D2283 VanDerWaalsContact CZ-OD2 3.26Å; Y2203-D2283 PolarHBondContact OH-OD2 3.04Å |
| 2204 | Q | 92.3 | Very high | 91.1 | Very high | 97 Ų | 97 | 34.7 Ų | 34.7 | 45% | 0.453 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -56.1 | -46 | -180 | -174 | 66.1 | 29.4 | 0 | 0 | 111.7 | Q2200 I2206 Y2207 E2208 | Q2200-Q2204 PolarHBondContact O-N 3.03Å; Q2200-Q2204 VanDerWaalsContact O-N 3.08Å; Q2204-I2206 VanDerWaalsContact C-N 3.35Å; Q2204-I2206 PolarHBondContact O-N 3.29Å; Q2204-Y2207 PolarHBondContact O-N 3.1Å; Q2204-E2208 PolarHBondContact NE2-OE1 2.97Å; Q2204-E2208 WeakPolarHBondContact O-CB 3.34Å; Q2204-E2208 WeakPolarHBondContact O-CG 3.44Å; Q2204-E2208 PolarHBondContact O-N 3.17Å |
| 2205 | F | 90.8 | Very high | 90.6 | Very high | 22.3333 Ų | 22.3333 | 36.4 Ų | 36.4 | 10% | 0.098 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 177.8 | 174.9 | -98.1 | 0 | 0 | 0 | 112.4 | V1694 L1697 T1698 V1701 Q1702 S2201 T2202 Y2203 E2208 N2209 V2213 | V1694-F2205 HydrophobicContact CG1-CD1 3.9Å; V1694-F2205 HydrophobicContact CG1-CE1 4.1Å; L1697-F2205 HydrophobicContact CB-CE1 4.23Å; L1697-F2205 HydrophobicContact CB-CZ 3.95Å; L1697-F2205 HydrophobicContact CD2-CE1 4.13Å; L1697-F2205 HydrophobicContact CD2-CZ 3.82Å; L1697-F2205 HydrophobicContact CG-CZ 4Å; T1698-F2205 HydrophobicContact CG2-CD1 3.73Å; T1698-F2205 VanDerWaalsContact CG2-CD1 3.48Å; T1698-F2205 HydrophobicContact CG2-CD2 4.06Å; T1698-F2205 HydrophobicContact CG2-CE1 3.72Å; T1698-F2205 HydrophobicContact CG2-CE2 3.94Å; T1698-F2205 HydrophobicContact CG2-CG 4.21Å; T1698-F2205 HydrophobicContact CG2-CZ 3.82Å; V1701-F2205 HydrophobicContact CB-CE2 3.72Å; V1701-F2205 HydrophobicContact CB-CZ 3.69Å; V1701-F2205 HydrophobicContact CG1-CE2 3.7Å; V1701-F2205 HydrophobicContact CG1-CZ 4.06Å; V1701-F2205 HydrophobicContact CG2-CE2 4.5Å; V1701-F2205 HydrophobicContact CG2-CZ 4.03Å; Q1702-F2205 HydrophobicContact CG-CD2 3.91Å; Q1702-F2205 HydrophobicContact CG-CE2 3.99Å; S2201-F2205 VanDerWaalsContact O-CB 3.31Å; S2201-F2205 WeakPolarHBondContact O-CB 3.37Å; S2201-F2205 PolarHBondContact O-N 3.02Å; S2201-F2205 VanDerWaalsContact O-N 3.12Å; T2202-F2205 PolarHBondContact O-N 3.26Å; Y2203-F2205 VanDerWaalsContact C-N 3.31Å; Y2203-F2205 PolarHBondContact O-N 3.14Å; F2205-E2208 PolarHBondContact O-N 3.16Å; F2205-N2209 HydrophobicContact CZ-CB 4.37Å; F2205-N2209 WeakPolarHBondContact O-CB 3.38Å; F2205-N2209 PolarHBondContact O-N 3.07Å; F2205-N2209 VanDerWaalsContact O-N 3.11Å; F2205-N2209 PolarHBondContact O-ND2 3.27Å; F2205-V2213 HydrophobicContact CE1-CG2 4Å; F2205-V2213 HydrophobicContact CZ-CG2 4.42Å |
| 2206 | I | 91.7 | Very high | 90 | Very high | 0.333333 Ų | 0.333333 | 40.9 Ų | 40.9 | 0% | 0.002 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.2 | -44.8 | 179.1 | -70.8 | 169.8 | 0 | 0 | 0 | 110.4 | V1694 T2202 Y2203 Q2204 E2208 N2209 V2210 L2240 L2243 V2247 | V1694-I2206 HydrophobicContact CG1-CD1 4.1Å; V1694-I2206 HydrophobicContact CG2-CD1 4.14Å; T2202-I2206 HydrophobicContact CG2-CD1 3.87Å; T2202-I2206 WeakPolarHBondContact O-CB 3.44Å; T2202-I2206 VanDerWaalsContact O-CG1 3.3Å; T2202-I2206 WeakPolarHBondContact O-CG1 3.41Å; T2202-I2206 PolarHBondContact O-N 2.95Å; Y2203-I2206 PolarHBondContact O-N 2.84Å; Y2203-I2206 VanDerWaalsContact O-N 3.13Å; Q2204-I2206 VanDerWaalsContact C-N 3.35Å; Q2204-I2206 PolarHBondContact O-N 3.29Å; I2206-E2208 VanDerWaalsContact C-N 3.33Å; I2206-E2208 PolarHBondContact O-N 3.26Å; I2206-N2209 CarbonylContact O-C 3.5Å; I2206-N2209 PolarHBondContact O-N 3.12Å; I2206-N2209 VanDerWaalsContact O-N 3.12Å; I2206-V2210 VanDerWaalsContact O-CA 3.29Å; I2206-V2210 WeakPolarHBondContact O-CA 3.22Å; I2206-V2210 WeakPolarHBondContact O-CG2 3.25Å; I2206-V2210 PolarHBondContact O-N 3.25Å; I2206-L2240 HydrophobicContact CG2-CD1 3.76Å; I2206-L2243 HydrophobicContact CG2-CB 3.86Å; I2206-L2243 HydrophobicContact CG2-CD1 3.81Å; I2206-L2243 HydrophobicContact CG2-CG 4.5Å; I2206-V2247 HydrophobicContact CD1-CG2 3.5Å; I2206-V2247 VanDerWaalsContact CD1-CG2 3.42Å |
| 2207 | Y | 91.3 | Very high | 89.1 | Confident | 54.6667 Ų | 54.6667 | 40 Ų | 40 | 21% | 0.214 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.3 | -43.7 | 177.4 | -172.7 | -83.3 | 0 | 0 | 0 | 112.2 | Y2203 Q2204 N2209 P2229 F2236 W2237 L2240 D2283 | Y2203-Y2207 AromaticContact CE1-CD2 3.89Å; Y2203-Y2207 HydrophobicContact CE1-CD2 3.98Å; Y2203-Y2207 HydrophobicContact CE1-CG 4.37Å; Y2203-Y2207 WeakPolarHBondContact O-CB 3.16Å; Y2203-Y2207 PolarHBondContact O-N 2.96Å; Q2204-Y2207 PolarHBondContact O-N 3.1Å; Y2207-N2209 VanDerWaalsContact C-N 3.31Å; Y2207-N2209 PolarHBondContact O-N 3.06Å; Y2207-P2229 HydrophobicContact CE1-CG 4.41Å; Y2207-P2229 VanDerWaalsContact OH-CG 3.3Å; Y2207-P2229 WeakPolarHBondContact OH-CG 3.32Å; Y2207-F2236 HydrophobicContact CD1-CZ 4.49Å; Y2207-F2236 HydrophobicContact CD2-CE1 4.41Å; Y2207-F2236 HydrophobicContact CD2-CZ 4.14Å; Y2207-F2236 HydrophobicContact CE1-CZ 4.48Å; Y2207-F2236 HydrophobicContact CE2-CE1 4.1Å; Y2207-F2236 AromaticContact CE2-CZ 3.98Å; Y2207-F2236 HydrophobicContact CE2-CZ 4.1Å; Y2207-F2236 HydrophobicContact CG-CZ 4.4Å; Y2207-W2237 HydrophobicContact CE2-CH2 4.33Å; Y2207-W2237 HydrophobicContact CE2-CZ3 4.42Å; Y2207-L2240 HydrophobicContact CD2-CD2 3.87Å; Y2207-L2240 HydrophobicContact CE2-CD2 4.34Å; Y2207-D2283 HydrophobicContact CE2-CB 4.1Å; Y2207-D2283 VanDerWaalsContact CE2-CG 3.46Å; Y2207-D2283 VanDerWaalsContact CE2-OD2 3.25Å; Y2207-D2283 WeakPolarHBondContact CE2-OD2 3.31Å; Y2207-D2283 PolarHBondContact OH-OD1 2.6Å |
| 2208 | E | 88.7 | Confident | 88.4 | Confident | 124 Ų | 124 | 41.7 Ų | 41.7 | 58% | 0.579 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -70.2 | -22.7 | 176.8 | -73.7 | 175.8 | -170.5 | 0 | 0 | 113.9 | Q2204 F2205 I2206 | Q2204-E2208 PolarHBondContact NE2-OE1 2.97Å; Q2204-E2208 WeakPolarHBondContact O-CB 3.34Å; Q2204-E2208 WeakPolarHBondContact O-CG 3.44Å; Q2204-E2208 PolarHBondContact O-N 3.17Å; F2205-E2208 PolarHBondContact O-N 3.16Å; I2206-E2208 VanDerWaalsContact C-N 3.33Å; I2206-E2208 PolarHBondContact O-N 3.26Å |
| 2209 | N | 88.7 | Confident | 87.1 | Confident | 41 Ų | 41 | 49.6 Ų | 49.6 | 22% | 0.219 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -127.9 | 19.1 | -169 | -59.6 | -90.4 | 0 | 0 | 0 | 113.9 | F2205 I2206 Y2207 N2211 E2212 V2213 | F2205-N2209 HydrophobicContact CZ-CB 4.37Å; F2205-N2209 WeakPolarHBondContact O-CB 3.38Å; F2205-N2209 PolarHBondContact O-N 3.07Å; F2205-N2209 VanDerWaalsContact O-N 3.11Å; F2205-N2209 PolarHBondContact O-ND2 3.27Å; I2206-N2209 CarbonylContact O-C 3.5Å; I2206-N2209 PolarHBondContact O-N 3.12Å; I2206-N2209 VanDerWaalsContact O-N 3.12Å; Y2207-N2209 VanDerWaalsContact C-N 3.31Å; Y2207-N2209 PolarHBondContact O-N 3.06Å; N2209-N2211 VanDerWaalsContact C-N 3.3Å; N2209-N2211 PolarHBondContact O-N 3.25Å; N2209-N2211 VanDerWaalsContact O-N 3.12Å; N2209-E2212 PolarHBondContact O-N 3.22Å; N2209-E2212 VanDerWaalsContact O-N 3.13Å; N2209-V2213 HydrophobicContact CB-CG2 4.11Å; N2209-V2213 WeakPolarHBondContact O-CG2 3.17Å; N2209-V2213 PolarHBondContact O-N 3.34Å; N2209-V2213 VanDerWaalsContact O-N 3.1Å |
| 2210 | V | 88 | Confident | 86 | Confident | 3.33333 Ų | 3.33333 | 54.6 Ų | 54.6 | 2% | 0.02 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -44.7 | -51.9 | -170.2 | 173.8 | 0 | 0 | 0 | 0 | 112.4 | I2206 E2212 V2213 Y2214 F2236 R2239 L2240 L2243 | I2206-V2210 VanDerWaalsContact O-CA 3.29Å; I2206-V2210 WeakPolarHBondContact O-CA 3.22Å; I2206-V2210 WeakPolarHBondContact O-CG2 3.25Å; I2206-V2210 PolarHBondContact O-N 3.25Å; V2210-E2212 PolarHBondContact O-N 3.27Å; V2210-V2213 PolarHBondContact O-N 3.19Å; V2210-Y2214 WeakPolarHBondContact O-CB 3.35Å; V2210-Y2214 PolarHBondContact O-N 3.22Å; V2210-F2236 HydrophobicContact CB-CD2 4.29Å; V2210-F2236 HydrophobicContact CB-CE2 3.95Å; V2210-F2236 HydrophobicContact CG1-CD2 4.41Å; V2210-F2236 HydrophobicContact CG1-CE2 4.49Å; V2210-F2236 HydrophobicContact CG2-CD2 4.24Å; V2210-F2236 HydrophobicContact CG2-CE2 3.53Å; V2210-F2236 VanDerWaalsContact CG2-CE2 3.46Å; V2210-F2236 HydrophobicContact CG2-CZ 3.79Å; V2210-R2239 HydrophobicContact CG1-CB 3.45Å; V2210-R2239 VanDerWaalsContact CG1-CB 3.45Å; V2210-L2240 HydrophobicContact CG1-CB 4.45Å; V2210-L2240 HydrophobicContact CG2-CB 4.13Å; V2210-L2240 HydrophobicContact CG2-CD1 3.99Å; V2210-L2243 HydrophobicContact CG1-CD1 4.27Å |
| 2211 | N | 83.2 | Confident | 84.6 | Confident | 24.3333 Ų | 24.3333 | 57.7 Ų | 57.7 | 13% | 0.13 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.4 | -36.9 | -175.1 | -69 | -34.6 | 0 | 0 | 0 | 113.5 | N2209 S2215 V2222 E2226 G2227 R2239 | N2209-N2211 VanDerWaalsContact C-N 3.3Å; N2209-N2211 PolarHBondContact O-N 3.25Å; N2209-N2211 VanDerWaalsContact O-N 3.12Å; N2211-S2215 WeakPolarHBondContact O-CB 3.38Å; N2211-S2215 PolarHBondContact O-N 3.33Å; N2211-V2222 HydrophobicContact CB-CB 4.48Å; N2211-V2222 HydrophobicContact CB-CG1 3.86Å; N2211-E2226 PolarHBondContact ND2-O 3.14Å; N2211-G2227 VanDerWaalsContact ND2-CA 3.32Å; N2211-G2227 WeakPolarHBondContact ND2-CA 3.48Å; N2211-G2227 PolarHBondContact ND2-N 2.81Å; N2211-R2239 WeakPolarHBondContact OD1-CD 3.37Å; N2211-R2239 PolarHBondContact OD1-NH1 3.3Å |
| 2212 | E | 84.5 | Confident | 83.3 | Confident | 98.3333 Ų | 98.3333 | 57.1 Ų | 57.1 | 46% | 0.46 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.9 | -42.5 | 177.7 | -175.3 | 175.9 | 160.9 | 0 | 0 | 110.7 | N2209 V2210 K2216 | N2209-E2212 PolarHBondContact O-N 3.22Å; N2209-E2212 VanDerWaalsContact O-N 3.13Å; V2210-E2212 PolarHBondContact O-N 3.27Å; E2212-K2216 HydrophobicContact CG-CD 4.38Å; E2212-K2216 WeakPolarHBondContact O-CB 3.37Å; E2212-K2216 WeakPolarHBondContact O-CD 3.3Å; E2212-K2216 VanDerWaalsContact O-CG 3.23Å; E2212-K2216 WeakPolarHBondContact O-CG 3.37Å; E2212-K2216 PolarHBondContact O-N 3.04Å; E2212-K2216 VanDerWaalsContact O-N 3.14Å; E2212-K2216 WeakPolarHBondContact OE1-CE 3.4Å; E2212-K2216 IonicContact OE1-NZ 2.98Å; E2212-K2216 PolarHBondContact OE1-NZ 3.42Å |
| 2213 | V | 85.1 | Confident | 81.7 | Confident | 2.66667 Ų | 2.66667 | 61.4 Ų | 61.4 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.2 | -47.6 | 178.1 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | L1697 F2205 N2209 V2210 K2216 Q2217 L2243 | L1697-V2213 HydrophobicContact CD2-CB 4.22Å; L1697-V2213 HydrophobicContact CD2-CG1 3.77Å; L1697-V2213 HydrophobicContact CD2-CG2 3.81Å; F2205-V2213 HydrophobicContact CE1-CG2 4Å; F2205-V2213 HydrophobicContact CZ-CG2 4.42Å; N2209-V2213 HydrophobicContact CB-CG2 4.11Å; N2209-V2213 WeakPolarHBondContact O-CG2 3.17Å; N2209-V2213 PolarHBondContact O-N 3.34Å; N2209-V2213 VanDerWaalsContact O-N 3.1Å; V2210-V2213 PolarHBondContact O-N 3.19Å; V2213-K2216 PolarHBondContact O-N 3.1Å; V2213-Q2217 WeakPolarHBondContact O-CB 3.31Å; V2213-Q2217 PolarHBondContact O-N 3.1Å; V2213-L2243 HydrophobicContact CB-CD1 3.81Å; V2213-L2243 HydrophobicContact CB-CD2 4.41Å; V2213-L2243 HydrophobicContact CG1-CD1 3.86Å; V2213-L2243 HydrophobicContact CG1-CD2 3.7Å; V2213-L2243 HydrophobicContact CG1-CG 4.4Å |
| 2214 | Y | 86.3 | Confident | 79.9 | Confident | 21 Ų | 21 | 70.7 Ų | 70.7 | 8% | 0.082 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.3 | -48.9 | -179.9 | -171 | -86.5 | 0 | 0 | 0 | 112 | V2210 K2216 Q2217 F2218 E2220 V2222 R2239 T2242 L2243 | V2210-Y2214 WeakPolarHBondContact O-CB 3.35Å; V2210-Y2214 PolarHBondContact O-N 3.22Å; Y2214-K2216 VanDerWaalsContact C-N 3.32Å; Y2214-K2216 PolarHBondContact O-N 3.01Å; Y2214-Q2217 PolarHBondContact O-N 3.13Å; Y2214-F2218 HydrophobicContact CD1-CD2 4.22Å; Y2214-F2218 AromaticContact CD2-CD2 3.61Å; Y2214-F2218 HydrophobicContact CD2-CD2 3.61Å; Y2214-F2218 AromaticContact CD2-CE2 3.79Å; Y2214-F2218 HydrophobicContact CD2-CE2 3.79Å; Y2214-F2218 HydrophobicContact CE1-CB 4.4Å; Y2214-F2218 HydrophobicContact CE1-CD2 4.2Å; Y2214-F2218 HydrophobicContact CE1-CG 4.49Å; Y2214-F2218 AromaticContact CE2-CD2 3.58Å; Y2214-F2218 HydrophobicContact CE2-CD2 3.58Å; Y2214-F2218 AromaticContact CE2-CE2 3.78Å; Y2214-F2218 HydrophobicContact CE2-CE2 3.78Å; Y2214-F2218 HydrophobicContact CE2-CG 4.41Å; Y2214-F2218 AromaticContact CG-CD2 3.93Å; Y2214-F2218 HydrophobicContact CG-CD2 3.93Å; Y2214-F2218 HydrophobicContact CG-CE2 4.49Å; Y2214-F2218 AromaticContact CZ-CD2 3.88Å; Y2214-F2218 WeakPolarHBondContact O-CD2 3.22Å; Y2214-F2218 PolarHBondContact O-N 3.16Å; Y2214-E2220 HydrophobicContact CE1-CB 4.4Å; Y2214-E2220 WeakPolarHBondContact CE1-OE2 3.38Å; Y2214-E2220 PolarHBondContact OH-OE2 2.95Å; Y2214-V2222 HydrophobicContact CD1-CG2 4.44Å; Y2214-R2239 HydrophobicContact CD1-CG 3.9Å; Y2214-R2239 HydrophobicContact CD2-CB 3.66Å; Y2214-R2239 HydrophobicContact CD2-CG 3.73Å; Y2214-R2239 HydrophobicContact CE1-CG 4.02Å; Y2214-R2239 HydrophobicContact CE2-CB 4.09Å; Y2214-R2239 HydrophobicContact CE2-CG 3.85Å; Y2214-R2239 HydrophobicContact CG-CB 3.96Å; Y2214-R2239 HydrophobicContact CG-CG 3.77Å; Y2214-T2242 HydrophobicContact CE2-CG2 4.03Å; Y2214-L2243 HydrophobicContact CD2-CD2 4.4Å; Y2214-L2243 HydrophobicContact CD2-CG 4.32Å |
| 2215 | S | 83.9 | Confident | 78.1 | Confident | 39.6667 Ų | 39.6667 | 74 Ų | 74 | 28% | 0.277 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 178.5 | -175.2 | 0 | 0 | 0 | 0 | 112 | N2211 Q2217 Q2219 E2220 | N2211-S2215 WeakPolarHBondContact O-CB 3.38Å; N2211-S2215 PolarHBondContact O-N 3.33Å; S2215-Q2217 PolarHBondContact O-N 2.84Å; S2215-Q2219 VanDerWaalsContact O-CA 3.22Å; S2215-Q2219 WeakPolarHBondContact O-CA 3.36Å; S2215-Q2219 PolarHBondContact O-N 3.2Å; S2215-E2220 WeakPolarHBondContact CA-O 3.41Å; S2215-E2220 WeakPolarHBondContact CB-O 3.33Å; S2215-E2220 PolarHBondContact OG-O 3.15Å |
| 2216 | K | 81.9 | Confident | 76.5 | Confident | 95.3333 Ų | 95.3333 | 75.1 Ų | 75.1 | 41% | 0.414 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68.5 | -36.8 | 176.8 | -102.4 | -179.3 | -172.4 | 177.4 | 0 | 113.2 | L1697 E2212 V2213 Y2214 | L1697-K2216 HydrophobicContact CD1-CB 4.49Å; L1697-K2216 HydrophobicContact CD1-CD 4.17Å; L1697-K2216 HydrophobicContact CD2-CB 3.85Å; L1697-K2216 HydrophobicContact CD2-CD 3.94Å; L1697-K2216 HydrophobicContact CG-CD 3.97Å; E2212-K2216 HydrophobicContact CG-CD 4.38Å; E2212-K2216 WeakPolarHBondContact O-CB 3.37Å; E2212-K2216 WeakPolarHBondContact O-CD 3.3Å; E2212-K2216 VanDerWaalsContact O-CG 3.23Å; E2212-K2216 WeakPolarHBondContact O-CG 3.37Å; E2212-K2216 PolarHBondContact O-N 3.04Å; E2212-K2216 VanDerWaalsContact O-N 3.14Å; E2212-K2216 WeakPolarHBondContact OE1-CE 3.4Å; E2212-K2216 IonicContact OE1-NZ 2.98Å; E2212-K2216 PolarHBondContact OE1-NZ 3.42Å; V2213-K2216 PolarHBondContact O-N 3.1Å; Y2214-K2216 VanDerWaalsContact C-N 3.32Å; Y2214-K2216 PolarHBondContact O-N 3.01Å |
| 2217 | Q | 77.3 | Confident | 74.9 | Confident | 44.3333 Ų | 44.3333 | 77.6 Ų | 77.6 | 21% | 0.207 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -76.3 | -45.5 | -177.9 | -178 | 166.7 | -6.8 | 0 | 0 | 112.5 | L1693 V2213 Y2214 S2215 L2243 S2246 | L1693-Q2217 VanDerWaalsContact CD2-OE1 3.23Å; V2213-Q2217 WeakPolarHBondContact O-CB 3.31Å; V2213-Q2217 PolarHBondContact O-N 3.1Å; Y2214-Q2217 PolarHBondContact O-N 3.13Å; S2215-Q2217 PolarHBondContact O-N 2.84Å; Q2217-L2243 VanDerWaalsContact OE1-CD2 3.27Å; Q2217-S2246 PolarHBondContact NE2-OG 3.11Å |
| 2218 | F | 79.6 | Confident | 73.8 | Confident | 74.6667 Ų | 74.6667 | 77.7 Ų | 77.7 | 33% | 0.327 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -99.8 | -7 | -173.8 | -61.6 | -75.3 | 0 | 0 | 0 | 114 | Y2214 E2220 T2242 L2243 | Y2214-F2218 HydrophobicContact CD1-CD2 4.22Å; Y2214-F2218 AromaticContact CD2-CD2 3.61Å; Y2214-F2218 HydrophobicContact CD2-CD2 3.61Å; Y2214-F2218 AromaticContact CD2-CE2 3.79Å; Y2214-F2218 HydrophobicContact CD2-CE2 3.79Å; Y2214-F2218 HydrophobicContact CE1-CB 4.4Å; Y2214-F2218 HydrophobicContact CE1-CD2 4.2Å; Y2214-F2218 HydrophobicContact CE1-CG 4.49Å; Y2214-F2218 AromaticContact CE2-CD2 3.58Å; Y2214-F2218 HydrophobicContact CE2-CD2 3.58Å; Y2214-F2218 AromaticContact CE2-CE2 3.78Å; Y2214-F2218 HydrophobicContact CE2-CE2 3.78Å; Y2214-F2218 HydrophobicContact CE2-CG 4.41Å; Y2214-F2218 AromaticContact CG-CD2 3.93Å; Y2214-F2218 HydrophobicContact CG-CD2 3.93Å; Y2214-F2218 HydrophobicContact CG-CE2 4.49Å; Y2214-F2218 AromaticContact CZ-CD2 3.88Å; Y2214-F2218 WeakPolarHBondContact O-CD2 3.22Å; Y2214-F2218 PolarHBondContact O-N 3.16Å; F2218-E2220 HydrophobicContact CB-CG 4.35Å; F2218-E2220 PolarHBondContact O-N 3.07Å; F2218-T2242 HydrophobicContact CE1-CG2 4.41Å; F2218-T2242 HydrophobicContact CE2-CG2 3.79Å; F2218-T2242 HydrophobicContact CZ-CG2 3.57Å; F2218-L2243 HydrophobicContact CE2-CD2 4.2Å |
| 2219 | Q | 69.4 | Low | 73 | Confident | 167.667 Ų | 167.667 | 74.5 Ų | 74.5 | 78% | 0.783 | 41% | 0.405 | S | S | * | . | trans | 64.1 | 20.5 | 179.8 | -51.4 | -174.2 | -26.8 | 0 | 0 | 114.4 | S2215 | S2215-Q2219 VanDerWaalsContact O-CA 3.22Å; S2215-Q2219 WeakPolarHBondContact O-CA 3.36Å; S2215-Q2219 PolarHBondContact O-N 3.2Å | ||
| 2220 | E | 71.1 | Confident | 72.3 | Confident | 104.667 Ų | 104.667 | 74.4 Ų | 74.4 | 49% | 0.489 | 41% | 0.407 | S | S | . | . | trans | -86.9 | 138.8 | 175.2 | -64.3 | -172.8 | 161.3 | 0 | 0 | 111.4 | Y2214 S2215 F2218 V2222 | Y2214-E2220 HydrophobicContact CE1-CB 4.4Å; Y2214-E2220 WeakPolarHBondContact CE1-OE2 3.38Å; Y2214-E2220 PolarHBondContact OH-OE2 2.95Å; S2215-E2220 WeakPolarHBondContact CA-O 3.41Å; S2215-E2220 WeakPolarHBondContact CB-O 3.33Å; S2215-E2220 PolarHBondContact OG-O 3.15Å; F2218-E2220 HydrophobicContact CB-CG 4.35Å; F2218-E2220 PolarHBondContact O-N 3.07Å; E2220-V2222 PolarHBondContact O-N 3.35Å | ||
| 2221 | T | 63.5 | Low | 71.7 | Confident | 141.667 Ų | 141.667 | 79.7 Ų | 79.7 | 87% | 0.869 | 44% | 0.435 | S | S | * | . | trans | -78.2 | 107.7 | 176.9 | 47.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 2222 | V | 63.6 | Low | 71.6 | Confident | 33.6667 Ų | 33.6667 | 88.2 Ų | 88.2 | 20% | 0.204 | 47% | 0.471 | C | S | . | . | trans | -87.8 | 132.6 | 175.8 | -180 | 0 | 0 | 0 | 0 | 110.4 | N2211 Y2214 E2220 | N2211-V2222 HydrophobicContact CB-CB 4.48Å; N2211-V2222 HydrophobicContact CB-CG1 3.86Å; Y2214-V2222 HydrophobicContact CD1-CG2 4.44Å; E2220-V2222 PolarHBondContact O-N 3.35Å | ||
| 2223 | T | 61.1 | Low | 71.5 | Confident | 95.3333 Ų | 95.3333 | 85.1 Ų | 85.1 | 59% | 0.585 | 46% | 0.46 | S | S | * | . | trans | -77.3 | 143.2 | 173.9 | 46.7 | 0 | 0 | 0 | 0 | 111.1 | D2225 E2226 | T2223-D2225 VanDerWaalsContact C-N 3.29Å; T2223-D2225 PolarHBondContact O-N 3.27Å; T2223-D2225 VanDerWaalsContact O-N 3.12Å; T2223-E2226 PolarHBondContact O-N 2.82Å | ||
| 2224 | Q | 55.5 | Low | 71.5 | Confident | 198.333 Ų | 198.333 | 90.2 Ų | 90.2 | 93% | 0.927 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -67.9 | -16.1 | -168.9 | -72.3 | -174.4 | -25.2 | 0 | 0 | 115.2 | E2226 | Q2224-E2226 VanDerWaalsContact C-N 3.27Å; Q2224-E2226 PolarHBondContact O-N 2.83Å |
| 2225 | D | 54 | Low | 71.5 | Confident | 166 Ų | 166 | 91.8 Ų | 91.8 | 89% | 0.888 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -78.7 | -5.4 | -176.9 | -107.3 | -7.3 | 0 | 0 | 0 | 114.1 | T2223 G2227 | T2223-D2225 VanDerWaalsContact C-N 3.29Å; T2223-D2225 PolarHBondContact O-N 3.27Å; T2223-D2225 VanDerWaalsContact O-N 3.12Å; D2225-G2227 VanDerWaalsContact C-N 3.26Å; D2225-G2227 PolarHBondContact O-N 2.86Å |
| 2226 | E | 59.2 | Low | 71.8 | Confident | 45.6667 Ų | 45.6667 | 90.2 Ų | 90.2 | 21% | 0.213 | 49% | 0.486 | C | S | . | . | G | 310 helix | trans | -98.1 | 21 | -176.1 | -58.1 | -165.4 | 126.6 | 0 | 0 | 113.9 | N2211 T2223 Q2224 A2228 S2233 R2239 | N2211-E2226 PolarHBondContact ND2-O 3.14Å; T2223-E2226 PolarHBondContact O-N 2.82Å; Q2224-E2226 VanDerWaalsContact C-N 3.27Å; Q2224-E2226 PolarHBondContact O-N 2.83Å; E2226-A2228 VanDerWaalsContact C-N 3.29Å; E2226-A2228 PolarHBondContact O-N 3.31Å; E2226-A2228 VanDerWaalsContact O-N 3.1Å; E2226-S2233 PolarHBondContact OE1-OG 3.17Å; E2226-R2239 IonicContact OE2-CZ 3.3Å; E2226-R2239 VanDerWaalsContact OE2-CZ 3.22Å; E2226-R2239 IonicContact OE2-NH1 2.72Å; E2226-R2239 PolarHBondContact OE2-NH1 3.18Å; E2226-R2239 IonicContact OE2-NH2 3.03Å; E2226-R2239 PolarHBondContact OE2-NH2 3.23Å |
| 2227 | G | 56.7 | Low | 72.2 | Confident | 53.6667 Ų | 53.6667 | 86.7 Ų | 86.7 | 55% | 0.553 | 47% | 0.471 | S | S | * | . | trans | -65.5 | -17.9 | -163.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | N2211 D2225 | N2211-G2227 VanDerWaalsContact ND2-CA 3.32Å; N2211-G2227 WeakPolarHBondContact ND2-CA 3.48Å; N2211-G2227 PolarHBondContact ND2-N 2.81Å; D2225-G2227 VanDerWaalsContact C-N 3.26Å; D2225-G2227 PolarHBondContact O-N 2.86Å | ||
| 2228 | A | 67.8 | Low | 72.7 | Confident | 56.3333 Ų | 56.3333 | 89.4 Ų | 89.4 | 47% | 0.466 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -143 | 165.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | E2226 S2230 | E2226-A2228 VanDerWaalsContact C-N 3.29Å; E2226-A2228 PolarHBondContact O-N 3.31Å; E2226-A2228 VanDerWaalsContact O-N 3.1Å; A2228-S2230 PolarHBondContact O-N 3.24Å; A2228-S2230 VanDerWaalsContact O-N 3.09Å |
| 2229 | P | 72.5 | Confident | 73.2 | Confident | 57.6667 Ų | 57.6667 | 87.1 Ų | 87.1 | 37% | 0.374 | 47% | 0.472 | S | S | . | . | trans | -48.7 | 120 | 166.7 | -22.5 | 29 | 0 | 0 | 0 | 110.2 | Y2207 F2236 W2237 | Y2207-P2229 HydrophobicContact CE1-CG 4.41Å; Y2207-P2229 VanDerWaalsContact OH-CG 3.3Å; Y2207-P2229 WeakPolarHBondContact OH-CG 3.32Å; P2229-F2236 HydrophobicContact CB-CD1 4.28Å; P2229-F2236 HydrophobicContact CB-CE1 4.35Å; P2229-F2236 HydrophobicContact CG-CD1 4.03Å; P2229-F2236 HydrophobicContact CG-CE1 3.64Å; P2229-F2236 HydrophobicContact CG-CE2 4.36Å; P2229-F2236 HydrophobicContact CG-CZ 3.83Å; P2229-W2237 HydrophobicContact CB-CZ2 4.07Å; P2229-W2237 HydrophobicContact CG-CZ2 4.41Å | ||
| 2230 | S | 74 | Confident | 74.3 | Confident | 38.6667 Ų | 38.6667 | 79.1 Ų | 79.1 | 27% | 0.27 | 44% | 0.435 | S | S | . | . | B | Isolated β-bridge | trans | -120.6 | 125.6 | -170.5 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | A2228 K2232 S2233 | A2228-S2230 PolarHBondContact O-N 3.24Å; A2228-S2230 VanDerWaalsContact O-N 3.09Å; S2230-K2232 PolarHBondContact O-N 3.04Å; S2230-K2232 VanDerWaalsContact O-N 3.15Å; S2230-K2232 PolarHBondContact OG-N 3.05Å; S2230-K2232 VanDerWaalsContact OG-N 3.15Å; S2230-S2233 CarbonylContact O-C 3.55Å; S2230-S2233 PolarHBondContact O-N 3.27Å; S2230-S2233 VanDerWaalsContact O-O 3.07Å |
| 2231 | L | 76.4 | Confident | 75.4 | Confident | 114.333 Ų | 114.333 | 76.7 Ų | 76.7 | 60% | 0.599 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -11.3 | 172 | -67.8 | 174.6 | 0 | 0 | 0 | 113.4 | V2290 H2291 | L2231-V2290 HydrophobicContact CD1-CG1 4.4Å; L2231-V2290 HydrophobicContact CD2-CG1 3.82Å; L2231-H2291 PolarHBondContact O-CE1 3.18Å |
| 2232 | K | 79.3 | Confident | 76.7 | Confident | 203 Ų | 203 | 71.3 Ų | 71.3 | 88% | 0.883 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -13.9 | 178.7 | -59.2 | -177.2 | -178.5 | 178.7 | 0 | 114.2 | S2230 | S2230-K2232 PolarHBondContact O-N 3.04Å; S2230-K2232 VanDerWaalsContact O-N 3.15Å; S2230-K2232 PolarHBondContact OG-N 3.05Å; S2230-K2232 VanDerWaalsContact OG-N 3.15Å |
| 2233 | S | 82.4 | Confident | 78.1 | Confident | 33.6667 Ų | 33.6667 | 69.7 Ų | 69.7 | 24% | 0.235 | 38% | 0.382 | C | S | . | . | B | Isolated β-bridge | trans | -151.6 | 123 | -172.8 | -179.4 | 0 | 0 | 0 | 0 | 112.3 | E2226 S2230 V2235 | E2226-S2233 PolarHBondContact OE1-OG 3.17Å; S2230-S2233 CarbonylContact O-C 3.55Å; S2230-S2233 PolarHBondContact O-N 3.27Å; S2230-S2233 VanDerWaalsContact O-O 3.07Å; S2233-V2235 PolarHBondContact O-N 2.99Å; S2233-V2235 WeakPolarHBondContact OG-CB 3.29Å; S2233-V2235 VanDerWaalsContact OG-CG2 3.29Å; S2233-V2235 WeakPolarHBondContact OG-CG2 3.44Å; S2233-V2235 PolarHBondContact OG-N 3.01Å |
| 2234 | L | 86.5 | Confident | 79.7 | Confident | 109 Ų | 109 | 65.4 Ų | 65.4 | 57% | 0.571 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 1.2 | 175.8 | -58.4 | 179 | 0 | 0 | 0 | 113.4 | F2236 W2237 H2238 | L2234-F2236 PolarHBondContact O-N 3.3Å; L2234-W2237 PolarHBondContact O-N 3.19Å; L2234-W2237 VanDerWaalsContact O-N 3.1Å; L2234-H2238 PolarHBondContact O-N 2.88Å |
| 2235 | V | 86.1 | Confident | 81.5 | Confident | 54 Ų | 54 | 59.3 Ų | 59.3 | 33% | 0.327 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.1 | -33.8 | -177.8 | 176 | 0 | 0 | 0 | 0 | 112 | S2233 W2237 H2238 R2239 | S2233-V2235 PolarHBondContact O-N 2.99Å; S2233-V2235 WeakPolarHBondContact OG-CB 3.29Å; S2233-V2235 VanDerWaalsContact OG-CG2 3.29Å; S2233-V2235 WeakPolarHBondContact OG-CG2 3.44Å; S2233-V2235 PolarHBondContact OG-N 3.01Å; V2235-W2237 VanDerWaalsContact C-N 3.34Å; V2235-W2237 PolarHBondContact O-N 3.09Å; V2235-H2238 PolarHBondContact O-N 3.06Å; V2235-R2239 HydrophobicContact CG1-CG 4.4Å; V2235-R2239 WeakPolarHBondContact O-CG 3.42Å; V2235-R2239 PolarHBondContact O-N 2.94Å; V2235-R2239 VanDerWaalsContact O-N 3.08Å |
| 2236 | F | 89.4 | Confident | 83.3 | Confident | 5.66667 Ų | 5.66667 | 52.7 Ų | 52.7 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -53.6 | -49.6 | 173.5 | 174.2 | -90.6 | 0 | 0 | 0 | 112 | Y2207 V2210 P2229 L2234 H2238 R2239 L2240 | Y2207-F2236 HydrophobicContact CD1-CZ 4.49Å; Y2207-F2236 HydrophobicContact CD2-CE1 4.41Å; Y2207-F2236 HydrophobicContact CD2-CZ 4.14Å; Y2207-F2236 HydrophobicContact CE1-CZ 4.48Å; Y2207-F2236 HydrophobicContact CE2-CE1 4.1Å; Y2207-F2236 AromaticContact CE2-CZ 3.98Å; Y2207-F2236 HydrophobicContact CE2-CZ 4.1Å; Y2207-F2236 HydrophobicContact CG-CZ 4.4Å; V2210-F2236 HydrophobicContact CB-CD2 4.29Å; V2210-F2236 HydrophobicContact CB-CE2 3.95Å; V2210-F2236 HydrophobicContact CG1-CD2 4.41Å; V2210-F2236 HydrophobicContact CG1-CE2 4.49Å; V2210-F2236 HydrophobicContact CG2-CD2 4.24Å; V2210-F2236 HydrophobicContact CG2-CE2 3.53Å; V2210-F2236 VanDerWaalsContact CG2-CE2 3.46Å; V2210-F2236 HydrophobicContact CG2-CZ 3.79Å; P2229-F2236 HydrophobicContact CB-CD1 4.28Å; P2229-F2236 HydrophobicContact CB-CE1 4.35Å; P2229-F2236 HydrophobicContact CG-CD1 4.03Å; P2229-F2236 HydrophobicContact CG-CE1 3.64Å; P2229-F2236 HydrophobicContact CG-CE2 4.36Å; P2229-F2236 HydrophobicContact CG-CZ 3.83Å; L2234-F2236 PolarHBondContact O-N 3.3Å; F2236-H2238 PolarHBondContact O-N 3.36Å; F2236-R2239 PolarHBondContact O-N 3.14Å; F2236-L2240 HydrophobicContact CE1-CD2 3.92Å; F2236-L2240 HydrophobicContact CZ-CD2 4.38Å; F2236-L2240 WeakPolarHBondContact O-CB 3.39Å; F2236-L2240 PolarHBondContact O-N 3.21Å |
| 2237 | W | 90.5 | Very high | 84.9 | Confident | 23.3333 Ų | 23.3333 | 50.5 Ų | 50.5 | 9% | 0.088 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.7 | -40.3 | -178 | -61.5 | 108.2 | 0 | 0 | 0 | 112.1 | Y2207 P2229 L2234 V2235 R2239 L2240 I2241 D2283 I2284 A2287 | Y2207-W2237 HydrophobicContact CE2-CH2 4.33Å; Y2207-W2237 HydrophobicContact CE2-CZ3 4.42Å; P2229-W2237 HydrophobicContact CB-CZ2 4.07Å; P2229-W2237 HydrophobicContact CG-CZ2 4.41Å; L2234-W2237 PolarHBondContact O-N 3.19Å; L2234-W2237 VanDerWaalsContact O-N 3.1Å; V2235-W2237 VanDerWaalsContact C-N 3.34Å; V2235-W2237 PolarHBondContact O-N 3.09Å; W2237-R2239 PolarHBondContact O-N 3.17Å; W2237-L2240 HydrophobicContact CE3-CD2 3.98Å; W2237-L2240 HydrophobicContact CZ3-CD2 3.98Å; W2237-L2240 PolarHBondContact O-N 3.02Å; W2237-I2241 WeakPolarHBondContact O-CB 3.34Å; W2237-I2241 WeakPolarHBondContact O-CD1 3.45Å; W2237-I2241 VanDerWaalsContact O-CG1 3.26Å; W2237-I2241 WeakPolarHBondContact O-CG1 3.24Å; W2237-I2241 PolarHBondContact O-N 2.88Å; W2237-D2283 HydrophobicContact CH2-CB 4.03Å; W2237-D2283 WeakPolarHBondContact CH2-O 3.33Å; W2237-D2283 HydrophobicContact CZ3-CB 4.1Å; W2237-I2284 HydrophobicContact CD2-CG1 4.46Å; W2237-I2284 HydrophobicContact CE3-CD1 4.42Å; W2237-I2284 HydrophobicContact CE3-CG1 3.7Å; W2237-I2284 HydrophobicContact CH2-CG1 4.47Å; W2237-I2284 HydrophobicContact CZ3-CG1 3.75Å; W2237-A2287 HydrophobicContact CH2-CB 3.87Å; W2237-A2287 HydrophobicContact CZ2-CB 3.27Å |
| 2238 | H | 89.1 | Confident | 86.7 | Confident | 101.333 Ų | 101.333 | 49.8 Ų | 49.8 | 47% | 0.469 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 175.4 | -176.4 | 122.4 | 0 | 0 | 0 | 112 | L2234 V2235 F2236 T2242 | L2234-H2238 PolarHBondContact O-N 2.88Å; V2235-H2238 PolarHBondContact O-N 3.06Å; F2236-H2238 PolarHBondContact O-N 3.36Å; H2238-T2242 WeakPolarHBondContact O-CB 3.23Å; H2238-T2242 PolarHBondContact O-N 3.03Å; H2238-T2242 VanDerWaalsContact O-N 3.1Å; H2238-T2242 PolarHBondContact O-OG1 3.06Å |
| 2239 | R | 89.9 | Confident | 88 | Confident | 25.3333 Ų | 25.3333 | 51 Ų | 51 | 10% | 0.096 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 176.4 | -69.1 | -176.2 | -177.2 | 134.6 | 10.1 | 111.5 | V2210 N2211 Y2214 E2226 V2235 F2236 W2237 T2242 L2243 | V2210-R2239 HydrophobicContact CG1-CB 3.45Å; V2210-R2239 VanDerWaalsContact CG1-CB 3.45Å; N2211-R2239 WeakPolarHBondContact OD1-CD 3.37Å; N2211-R2239 PolarHBondContact OD1-NH1 3.3Å; Y2214-R2239 HydrophobicContact CD1-CG 3.9Å; Y2214-R2239 HydrophobicContact CD2-CB 3.66Å; Y2214-R2239 HydrophobicContact CD2-CG 3.73Å; Y2214-R2239 HydrophobicContact CE1-CG 4.02Å; Y2214-R2239 HydrophobicContact CE2-CB 4.09Å; Y2214-R2239 HydrophobicContact CE2-CG 3.85Å; Y2214-R2239 HydrophobicContact CG-CB 3.96Å; Y2214-R2239 HydrophobicContact CG-CG 3.77Å; E2226-R2239 IonicContact OE2-CZ 3.3Å; E2226-R2239 VanDerWaalsContact OE2-CZ 3.22Å; E2226-R2239 IonicContact OE2-NH1 2.72Å; E2226-R2239 PolarHBondContact OE2-NH1 3.18Å; E2226-R2239 IonicContact OE2-NH2 3.03Å; E2226-R2239 PolarHBondContact OE2-NH2 3.23Å; V2235-R2239 HydrophobicContact CG1-CG 4.4Å; V2235-R2239 WeakPolarHBondContact O-CG 3.42Å; V2235-R2239 PolarHBondContact O-N 2.94Å; V2235-R2239 VanDerWaalsContact O-N 3.08Å; F2236-R2239 PolarHBondContact O-N 3.14Å; W2237-R2239 PolarHBondContact O-N 3.17Å; R2239-T2242 PolarHBondContact O-N 3.09Å; R2239-L2243 WeakPolarHBondContact O-CG 3.21Å; R2239-L2243 PolarHBondContact O-N 3.1Å; R2239-L2243 VanDerWaalsContact O-N 3.1Å |
| 2240 | L | 92 | Very high | 88.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.1 | -52.8 | 177.3 | 176.4 | 58.6 | 0 | 0 | 0 | 111.3 | I2206 Y2207 V2210 F2236 W2237 T2242 L2243 L2244 L2280 | I2206-L2240 HydrophobicContact CG2-CD1 3.76Å; Y2207-L2240 HydrophobicContact CD2-CD2 3.87Å; Y2207-L2240 HydrophobicContact CE2-CD2 4.34Å; V2210-L2240 HydrophobicContact CG1-CB 4.45Å; V2210-L2240 HydrophobicContact CG2-CB 4.13Å; V2210-L2240 HydrophobicContact CG2-CD1 3.99Å; F2236-L2240 HydrophobicContact CE1-CD2 3.92Å; F2236-L2240 HydrophobicContact CZ-CD2 4.38Å; F2236-L2240 WeakPolarHBondContact O-CB 3.39Å; F2236-L2240 PolarHBondContact O-N 3.21Å; W2237-L2240 HydrophobicContact CE3-CD2 3.98Å; W2237-L2240 HydrophobicContact CZ3-CD2 3.98Å; W2237-L2240 PolarHBondContact O-N 3.02Å; L2240-T2242 VanDerWaalsContact C-N 3.3Å; L2240-T2242 PolarHBondContact O-N 3.03Å; L2240-L2243 WeakPolarHBondContact O-CB 3.39Å; L2240-L2243 PolarHBondContact O-N 3.32Å; L2240-L2243 VanDerWaalsContact O-N 3.11Å; L2240-L2244 HydrophobicContact CD1-CD1 3.98Å; L2240-L2244 HydrophobicContact CD1-CD2 4.39Å; L2240-L2244 HydrophobicContact CD1-CG 4.02Å; L2240-L2244 HydrophobicContact CG-CD1 3.93Å; L2240-L2244 HydrophobicContact CG-CG 4.39Å; L2240-L2244 VanDerWaalsContact O-CG 3.31Å; L2240-L2244 WeakPolarHBondContact O-CG 3.44Å; L2240-L2244 PolarHBondContact O-N 2.92Å; L2240-L2280 HydrophobicContact CD2-CD1 4.03Å; L2240-L2280 HydrophobicContact CG-CD1 4.39Å |
| 2241 | I | 93.7 | Very high | 89.8 | Confident | 53 Ų | 53 | 47.1 Ų | 47.1 | 27% | 0.272 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.7 | -43.9 | 179.3 | -69.3 | 167.1 | 0 | 0 | 0 | 111.1 | W2237 L2243 L2244 V2245 L2280 I2284 | W2237-I2241 WeakPolarHBondContact O-CB 3.34Å; W2237-I2241 WeakPolarHBondContact O-CD1 3.45Å; W2237-I2241 VanDerWaalsContact O-CG1 3.26Å; W2237-I2241 WeakPolarHBondContact O-CG1 3.24Å; W2237-I2241 PolarHBondContact O-N 2.88Å; I2241-L2243 VanDerWaalsContact C-N 3.32Å; I2241-L2243 PolarHBondContact O-N 2.81Å; I2241-L2244 PolarHBondContact O-N 3.09Å; I2241-V2245 HydrophobicContact CG2-CG2 4.47Å; I2241-V2245 WeakPolarHBondContact O-CG2 3.41Å; I2241-V2245 PolarHBondContact O-N 3.27Å; I2241-L2280 HydrophobicContact CG1-CD1 4.31Å; I2241-L2280 HydrophobicContact CG1-CD2 4.03Å; I2241-I2284 HydrophobicContact CD1-CD1 4.39Å |
| 2242 | T | 91.5 | Very high | 90.6 | Very high | 29.6667 Ų | 29.6667 | 45.8 Ų | 45.8 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60 | -41 | 177.6 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | Y2214 F2218 H2238 R2239 L2240 S2246 | Y2214-T2242 HydrophobicContact CE2-CG2 4.03Å; F2218-T2242 HydrophobicContact CE1-CG2 4.41Å; F2218-T2242 HydrophobicContact CE2-CG2 3.79Å; F2218-T2242 HydrophobicContact CZ-CG2 3.57Å; H2238-T2242 WeakPolarHBondContact O-CB 3.23Å; H2238-T2242 PolarHBondContact O-N 3.03Å; H2238-T2242 VanDerWaalsContact O-N 3.1Å; H2238-T2242 PolarHBondContact O-OG1 3.06Å; R2239-T2242 PolarHBondContact O-N 3.09Å; L2240-T2242 VanDerWaalsContact C-N 3.3Å; L2240-T2242 PolarHBondContact O-N 3.03Å; T2242-S2246 WeakPolarHBondContact O-CB 3.41Å; T2242-S2246 PolarHBondContact O-N 2.99Å |
| 2243 | L | 92.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.6 | -42.6 | 175.9 | -68.4 | 177.1 | 0 | 0 | 0 | 112.2 | I2206 V2210 V2213 Y2214 Q2217 F2218 R2239 L2240 I2241 V2245 S2246 V2247 | I2206-L2243 HydrophobicContact CG2-CB 3.86Å; I2206-L2243 HydrophobicContact CG2-CD1 3.81Å; I2206-L2243 HydrophobicContact CG2-CG 4.5Å; V2210-L2243 HydrophobicContact CG1-CD1 4.27Å; V2213-L2243 HydrophobicContact CB-CD1 3.81Å; V2213-L2243 HydrophobicContact CB-CD2 4.41Å; V2213-L2243 HydrophobicContact CG1-CD1 3.86Å; V2213-L2243 HydrophobicContact CG1-CD2 3.7Å; V2213-L2243 HydrophobicContact CG1-CG 4.4Å; Y2214-L2243 HydrophobicContact CD2-CD2 4.4Å; Y2214-L2243 HydrophobicContact CD2-CG 4.32Å; Q2217-L2243 VanDerWaalsContact OE1-CD2 3.27Å; F2218-L2243 HydrophobicContact CE2-CD2 4.2Å; R2239-L2243 WeakPolarHBondContact O-CG 3.21Å; R2239-L2243 PolarHBondContact O-N 3.1Å; R2239-L2243 VanDerWaalsContact O-N 3.1Å; L2240-L2243 WeakPolarHBondContact O-CB 3.39Å; L2240-L2243 PolarHBondContact O-N 3.32Å; L2240-L2243 VanDerWaalsContact O-N 3.11Å; I2241-L2243 VanDerWaalsContact C-N 3.32Å; I2241-L2243 PolarHBondContact O-N 2.81Å; L2243-V2245 VanDerWaalsContact C-N 3.35Å; L2243-V2245 PolarHBondContact O-N 3.27Å; L2243-S2246 CarbonylContact O-C 3.56Å; L2243-S2246 WeakPolarHBondContact O-CA 3.35Å; L2243-S2246 WeakPolarHBondContact O-CB 3.29Å; L2243-S2246 PolarHBondContact O-N 3.2Å; L2243-S2246 VanDerWaalsContact O-N 3.13Å; L2243-V2247 VanDerWaalsContact O-CG2 3.28Å; L2243-V2247 WeakPolarHBondContact O-CG2 3.34Å; L2243-V2247 PolarHBondContact O-N 3.35Å |
| 2244 | L | 94.1 | Very high | 91.7 | Very high | 4.33333 Ų | 4.33333 | 39.8 Ų | 39.8 | 2% | 0.023 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62 | -43.1 | 178.3 | -66.1 | 173.8 | 0 | 0 | 0 | 111.6 | Y2203 L2240 I2241 S2246 V2247 I2248 M2276 L2280 | Y2203-L2244 HydrophobicContact CD2-CD1 4.26Å; Y2203-L2244 HydrophobicContact CD2-CD2 3.67Å; Y2203-L2244 HydrophobicContact CE2-CD1 3.77Å; Y2203-L2244 HydrophobicContact CE2-CD2 4.02Å; L2240-L2244 HydrophobicContact CD1-CD1 3.98Å; L2240-L2244 HydrophobicContact CD1-CD2 4.39Å; L2240-L2244 HydrophobicContact CD1-CG 4.02Å; L2240-L2244 HydrophobicContact CG-CD1 3.93Å; L2240-L2244 HydrophobicContact CG-CG 4.39Å; L2240-L2244 VanDerWaalsContact O-CG 3.31Å; L2240-L2244 WeakPolarHBondContact O-CG 3.44Å; L2240-L2244 PolarHBondContact O-N 2.92Å; I2241-L2244 PolarHBondContact O-N 3.09Å; L2244-S2246 VanDerWaalsContact C-N 3.3Å; L2244-S2246 PolarHBondContact O-N 3.08Å; L2244-V2247 WeakPolarHBondContact O-CB 3.46Å; L2244-V2247 PolarHBondContact O-N 2.91Å; L2244-V2247 VanDerWaalsContact O-N 3.12Å; L2244-I2248 WeakPolarHBondContact O-CD1 3.39Å; L2244-I2248 VanDerWaalsContact O-CG1 3.3Å; L2244-I2248 WeakPolarHBondContact O-CG1 3.4Å; L2244-I2248 PolarHBondContact O-N 3.12Å; L2244-M2276 HydrophobicContact CD2-CB 4.41Å; L2244-M2276 HydrophobicContact CD2-CG 4.38Å; L2244-M2276 HydrophobicContact CD2-SD 3.61Å; L2244-M2276 VanDerWaalsContact CD2-SD 3.55Å; L2244-L2280 HydrophobicContact CD1-CB 4.21Å; L2244-L2280 HydrophobicContact CD1-CD1 3.84Å; L2244-L2280 HydrophobicContact CD1-CD2 4.02Å; L2244-L2280 HydrophobicContact CD1-CG 4.25Å |
| 2245 | V | 94 | Very high | 92.1 | Very high | 71.3333 Ų | 71.3333 | 34.6 Ų | 34.6 | 43% | 0.432 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.9 | -42.2 | 173.3 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | I2241 L2243 V2247 I2248 D2249 | I2241-V2245 HydrophobicContact CG2-CG2 4.47Å; I2241-V2245 WeakPolarHBondContact O-CG2 3.41Å; I2241-V2245 PolarHBondContact O-N 3.27Å; L2243-V2245 VanDerWaalsContact C-N 3.35Å; L2243-V2245 PolarHBondContact O-N 3.27Å; V2245-V2247 VanDerWaalsContact C-N 3.29Å; V2245-V2247 PolarHBondContact O-N 3.29Å; V2245-I2248 PolarHBondContact O-N 3.1Å; V2245-D2249 WeakPolarHBondContact O-CB 3.26Å; V2245-D2249 PolarHBondContact O-N 3.29Å |
| 2246 | S | 91.8 | Very high | 92.4 | Very high | 26 Ų | 26 | 33.2 Ų | 33.2 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.4 | -27.3 | 176.9 | -172.6 | 0 | 0 | 0 | 0 | 113.7 | L1693 Q2217 T2242 L2243 L2244 E2250 | L1693-S2246 WeakPolarHBondContact CD2-OG 3.44Å; Q2217-S2246 PolarHBondContact NE2-OG 3.11Å; T2242-S2246 WeakPolarHBondContact O-CB 3.41Å; T2242-S2246 PolarHBondContact O-N 2.99Å; L2243-S2246 CarbonylContact O-C 3.56Å; L2243-S2246 WeakPolarHBondContact O-CA 3.35Å; L2243-S2246 WeakPolarHBondContact O-CB 3.29Å; L2243-S2246 PolarHBondContact O-N 3.2Å; L2243-S2246 VanDerWaalsContact O-N 3.13Å; L2244-S2246 VanDerWaalsContact C-N 3.3Å; L2244-S2246 PolarHBondContact O-N 3.08Å; S2246-E2250 WeakPolarHBondContact O-CB 3.32Å; S2246-E2250 PolarHBondContact O-N 3.35Å; S2246-E2250 VanDerWaalsContact O-N 3.11Å |
| 2247 | V | 93.1 | Very high | 92.5 | Very high | 0.333333 Ų | 0.333333 | 36.1 Ų | 36.1 | 0% | 0.002 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -76.6 | -43.2 | 175.5 | 169.2 | 0 | 0 | 0 | 0 | 111.1 | L1693 V1694 R2147 T2202 I2206 L2243 L2244 V2245 D2249 E2250 D2251 M2276 | L1693-V2247 HydrophobicContact CD2-CG2 4.05Å; V1694-V2247 HydrophobicContact CB-CG2 4.45Å; V1694-V2247 HydrophobicContact CG1-CG2 3.8Å; V1694-V2247 HydrophobicContact CG2-CG2 4.29Å; R2147-V2247 PolarHBondContact NH2-O 3.37Å; T2202-V2247 HydrophobicContact CG2-CG1 4.02Å; T2202-V2247 HydrophobicContact CG2-CG2 4.38Å; I2206-V2247 HydrophobicContact CD1-CG2 3.5Å; I2206-V2247 VanDerWaalsContact CD1-CG2 3.42Å; L2243-V2247 VanDerWaalsContact O-CG2 3.28Å; L2243-V2247 WeakPolarHBondContact O-CG2 3.34Å; L2243-V2247 PolarHBondContact O-N 3.35Å; L2244-V2247 WeakPolarHBondContact O-CB 3.46Å; L2244-V2247 PolarHBondContact O-N 2.91Å; L2244-V2247 VanDerWaalsContact O-N 3.12Å; V2245-V2247 VanDerWaalsContact C-N 3.29Å; V2245-V2247 PolarHBondContact O-N 3.29Å; V2247-D2249 VanDerWaalsContact C-N 3.3Å; V2247-D2249 PolarHBondContact O-N 2.86Å; V2247-E2250 PolarHBondContact O-N 3.24Å; V2247-E2250 VanDerWaalsContact O-N 3.16Å; V2247-D2251 PolarHBondContact O-N 3.01Å; V2247-D2251 VanDerWaalsContact O-N 3.1Å; V2247-M2276 HydrophobicContact CG1-CE 3.62Å; V2247-M2276 HydrophobicContact CG1-SD 4.39Å |
| 2248 | I | 95 | Very high | 92.6 | Very high | 39.3333 Ų | 39.3333 | 36 Ų | 36 | 20% | 0.202 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -42.1 | 176.5 | -65.1 | 161.9 | 0 | 0 | 0 | 110.3 | L2244 V2245 E2250 D2251 N2252 A2273 M2276 | L2244-I2248 WeakPolarHBondContact O-CD1 3.39Å; L2244-I2248 VanDerWaalsContact O-CG1 3.3Å; L2244-I2248 WeakPolarHBondContact O-CG1 3.4Å; L2244-I2248 PolarHBondContact O-N 3.12Å; V2245-I2248 PolarHBondContact O-N 3.1Å; I2248-E2250 PolarHBondContact O-N 3.35Å; I2248-D2251 PolarHBondContact O-N 2.99Å; I2248-N2252 VanDerWaalsContact O-CB 3.25Å; I2248-N2252 WeakPolarHBondContact O-CB 3.35Å; I2248-N2252 PolarHBondContact O-N 2.99Å; I2248-A2273 HydrophobicContact CD1-CB 4.42Å; I2248-A2273 HydrophobicContact CG2-CB 4.04Å; I2248-M2276 HydrophobicContact CD1-CB 4.07Å; I2248-M2276 HydrophobicContact CD1-CG 4.38Å; I2248-M2276 HydrophobicContact CG1-CB 4.33Å; I2248-M2276 HydrophobicContact CG1-CG 4.1Å |
| 2249 | D | 93.4 | Very high | 92.7 | Very high | 81.3333 Ų | 81.3333 | 31.4 Ų | 31.4 | 44% | 0.435 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.4 | -40 | 176.3 | -169.8 | 56.4 | 0 | 0 | 0 | 112.2 | V2245 V2247 D2251 N2252 T2253 | V2245-D2249 WeakPolarHBondContact O-CB 3.26Å; V2245-D2249 PolarHBondContact O-N 3.29Å; V2247-D2249 VanDerWaalsContact C-N 3.3Å; V2247-D2249 PolarHBondContact O-N 2.86Å; D2249-D2251 VanDerWaalsContact C-N 3.33Å; D2249-D2251 PolarHBondContact O-N 3.41Å; D2249-N2252 PolarHBondContact O-N 3.04Å; D2249-T2253 VanDerWaalsContact O-CB 3.3Å; D2249-T2253 WeakPolarHBondContact O-CB 3.25Å; D2249-T2253 VanDerWaalsContact O-CG2 3.29Å; D2249-T2253 WeakPolarHBondContact O-CG2 3.41Å; D2249-T2253 PolarHBondContact O-N 3.12Å; D2249-T2253 PolarHBondContact O-OG1 3.17Å; D2249-T2253 WeakPolarHBondContact OD1-CG2 3.41Å |
| 2250 | E | 91.6 | Very high | 92.8 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 7% | 0.065 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.4 | -39 | 174.9 | -168.8 | -179.2 | -111 | 0 | 0 | 112 | S1692 R2147 A2152 S2246 V2247 I2248 T2254 Y2255 | S1692-E2250 WeakPolarHBondContact CA-OE1 3.44Å; S1692-E2250 WeakPolarHBondContact CB-OE1 3.4Å; S1692-E2250 PolarHBondContact OG-OE1 3.06Å; R2147-E2250 IonicContact CZ-OE2 3.31Å; R2147-E2250 IonicContact NH1-OE2 3.38Å; R2147-E2250 PolarHBondContact NH1-OE2 3.13Å; R2147-E2250 IonicContact NH2-OE2 2.74Å; R2147-E2250 PolarHBondContact NH2-OE2 3.11Å; A2152-E2250 HydrophobicContact CB-CG 4.27Å; A2152-E2250 WeakPolarHBondContact CB-OE1 3.14Å; S2246-E2250 WeakPolarHBondContact O-CB 3.32Å; S2246-E2250 PolarHBondContact O-N 3.35Å; S2246-E2250 VanDerWaalsContact O-N 3.11Å; V2247-E2250 PolarHBondContact O-N 3.24Å; V2247-E2250 VanDerWaalsContact O-N 3.16Å; I2248-E2250 PolarHBondContact O-N 3.35Å; E2250-T2254 WeakPolarHBondContact O-CA 3.34Å; E2250-T2254 VanDerWaalsContact O-CB 3.28Å; E2250-T2254 WeakPolarHBondContact O-CB 3.33Å; E2250-T2254 PolarHBondContact O-N 3.25Å; E2250-Y2255 HydrophobicContact CG-CD2 4.36Å; E2250-Y2255 HydrophobicContact CG-CE2 4.17Å; E2250-Y2255 PolarHBondContact O-N 3.01Å |
| 2251 | D | 94.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -67 | -41.4 | 174.1 | -81.6 | -37.2 | 0 | 0 | 0 | 112.9 | Y2146 R2147 M2199 V2247 I2248 D2249 Y2255 A2256 M2268 S2272 | Y2146-D2251 VanDerWaalsContact OH-CG 3.25Å; Y2146-D2251 PolarHBondContact OH-OD1 3.28Å; Y2146-D2251 PolarHBondContact OH-OD2 3.1Å; R2147-D2251 IonicContact CZ-OD1 3.19Å; R2147-D2251 IonicContact CZ-OD2 3.27Å; R2147-D2251 IonicContact NE-OD1 3.21Å; R2147-D2251 PolarHBondContact NE-OD1 3.06Å; R2147-D2251 IonicContact NE-OD2 2.7Å; R2147-D2251 PolarHBondContact NE-OD2 2.71Å; R2147-D2251 VanDerWaalsContact NE-OD2 3.11Å; R2147-D2251 IonicContact NH1-OD1 3.2Å; R2147-D2251 IonicContact NH2-OD1 3.21Å; R2147-D2251 PolarHBondContact NH2-OD1 3.01Å; R2147-D2251 IonicContact NH2-OD2 3.76Å; R2147-D2251 PolarHBondContact NH2-OD2 3.14Å; M2199-D2251 WeakPolarHBondContact CE-OD2 3.19Å; V2247-D2251 PolarHBondContact O-N 3.01Å; V2247-D2251 VanDerWaalsContact O-N 3.1Å; I2248-D2251 PolarHBondContact O-N 2.99Å; D2249-D2251 VanDerWaalsContact C-N 3.33Å; D2249-D2251 PolarHBondContact O-N 3.41Å; D2251-Y2255 PolarHBondContact O-N 3.02Å; D2251-Y2255 VanDerWaalsContact OD1-CD2 3.26Å; D2251-Y2255 WeakPolarHBondContact OD1-CD2 3.39Å; D2251-A2256 WeakPolarHBondContact O-CB 3.44Å; D2251-A2256 PolarHBondContact O-N 3.08Å; D2251-M2268 HydrophobicContact CB-CG 4.15Å; D2251-S2272 WeakPolarHBondContact OD2-CB 3.25Å; D2251-S2272 PolarHBondContact OD2-OG 3.03Å |
| 2252 | N | 93 | Very high | 92.4 | Very high | 87.6667 Ų | 87.6667 | 35.3 Ų | 35.3 | 47% | 0.469 | 21% | 0.208 | S | C | . | . | I | π-helix | trans | -73.1 | -36.9 | -178.3 | -171.5 | 52 | 0 | 0 | 0 | 112.8 | I2248 D2249 A2256 | I2248-N2252 VanDerWaalsContact O-CB 3.25Å; I2248-N2252 WeakPolarHBondContact O-CB 3.35Å; I2248-N2252 PolarHBondContact O-N 2.99Å; D2249-N2252 PolarHBondContact O-N 3.04Å; N2252-A2256 WeakPolarHBondContact O-CB 3.49Å |
| 2253 | T | 92.1 | Very high | 92.2 | Very high | 74 Ų | 74 | 38.7 Ų | 38.7 | 45% | 0.454 | 23% | 0.23 | S | C | . | . | I | π-helix | trans | -89.4 | -37.9 | -177.1 | 58.4 | 0 | 0 | 0 | 0 | 113.4 | D2249 | D2249-T2253 VanDerWaalsContact O-CB 3.3Å; D2249-T2253 WeakPolarHBondContact O-CB 3.25Å; D2249-T2253 VanDerWaalsContact O-CG2 3.29Å; D2249-T2253 WeakPolarHBondContact O-CG2 3.41Å; D2249-T2253 PolarHBondContact O-N 3.12Å; D2249-T2253 PolarHBondContact O-OG1 3.17Å; D2249-T2253 WeakPolarHBondContact OD1-CG2 3.41Å |
| 2254 | T | 92.8 | Very high | 91.9 | Very high | 36.3333 Ų | 36.3333 | 47.3 Ų | 47.3 | 22% | 0.223 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -106 | -59 | -171.5 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | A2152 L2158 E2250 A2256 A2257 V2258 | A2152-T2254 HydrophobicContact CB-CG2 3.86Å; L2158-T2254 HydrophobicContact CD1-CG2 3.6Å; L2158-T2254 HydrophobicContact CD2-CG2 4.43Å; E2250-T2254 WeakPolarHBondContact O-CA 3.34Å; E2250-T2254 VanDerWaalsContact O-CB 3.28Å; E2250-T2254 WeakPolarHBondContact O-CB 3.33Å; E2250-T2254 PolarHBondContact O-N 3.25Å; T2254-A2256 PolarHBondContact O-N 3.47Å; T2254-A2257 PolarHBondContact O-N 3.13Å; T2254-V2258 WeakPolarHBondContact O-CG2 3.44Å; T2254-V2258 PolarHBondContact O-N 3.05Å |
| 2255 | Y | 94.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -71.8 | -33.5 | -173.2 | -67.7 | -73.2 | 0 | 0 | 0 | 113.3 | Y2146 R2147 F2150 A2152 L2158 L2161 E2250 D2251 A2257 V2258 I2259 | Y2146-Y2255 AromaticContact CD2-CD1 3.69Å; Y2146-Y2255 HydrophobicContact CD2-CD1 3.69Å; Y2146-Y2255 AromaticContact CD2-CE1 3.63Å; Y2146-Y2255 HydrophobicContact CD2-CE1 3.63Å; Y2146-Y2255 HydrophobicContact CD2-CE2 4.48Å; Y2146-Y2255 HydrophobicContact CD2-CG 4.19Å; Y2146-Y2255 AromaticContact CD2-CZ 3.97Å; Y2146-Y2255 AromaticContact CE2-CD1 3.6Å; Y2146-Y2255 HydrophobicContact CE2-CD1 3.6Å; Y2146-Y2255 AromaticContact CE2-CD2 3.81Å; Y2146-Y2255 HydrophobicContact CE2-CD2 3.81Å; Y2146-Y2255 AromaticContact CE2-CE1 3.79Å; Y2146-Y2255 HydrophobicContact CE2-CE1 3.79Å; Y2146-Y2255 AromaticContact CE2-CE2 3.86Å; Y2146-Y2255 HydrophobicContact CE2-CE2 3.99Å; Y2146-Y2255 AromaticContact CE2-CG 3.6Å; Y2146-Y2255 HydrophobicContact CE2-CG 3.6Å; Y2146-Y2255 AromaticContact CE2-CZ 3.82Å; R2147-Y2255 HydrophobicContact CG-CE2 4.24Å; F2150-Y2255 WeakPolarHBondContact O-CE1 3.39Å; F2150-Y2255 PolarHBondContact O-OH 3.18Å; A2152-Y2255 HydrophobicContact CB-CE1 4.47Å; A2152-Y2255 HydrophobicContact CB-CE2 4.06Å; A2152-Y2255 PolarHBondContact N-OH 3.2Å; A2152-Y2255 VanDerWaalsContact N-OH 3.11Å; L2158-Y2255 HydrophobicContact CD2-CD1 4.1Å; L2158-Y2255 HydrophobicContact CD2-CE1 3.73Å; L2161-Y2255 HydrophobicContact CD2-CD1 3.67Å; L2161-Y2255 HydrophobicContact CD2-CE1 3.91Å; E2250-Y2255 HydrophobicContact CG-CD2 4.36Å; E2250-Y2255 HydrophobicContact CG-CE2 4.17Å; E2250-Y2255 PolarHBondContact O-N 3.01Å; D2251-Y2255 PolarHBondContact O-N 3.02Å; D2251-Y2255 VanDerWaalsContact OD1-CD2 3.26Å; D2251-Y2255 WeakPolarHBondContact OD1-CD2 3.39Å; Y2255-A2257 VanDerWaalsContact C-N 3.33Å; Y2255-A2257 PolarHBondContact O-N 2.83Å; Y2255-V2258 PolarHBondContact O-N 2.85Å; Y2255-I2259 PolarHBondContact O-N 3.26Å |
| 2256 | A | 92.1 | Very high | 91.4 | Very high | 24.3333 Ų | 24.3333 | 46.8 Ų | 46.8 | 20% | 0.201 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.5 | -32.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | D2251 N2252 T2254 V2258 M2268 | D2251-A2256 WeakPolarHBondContact O-CB 3.44Å; D2251-A2256 PolarHBondContact O-N 3.08Å; N2252-A2256 WeakPolarHBondContact O-CB 3.49Å; T2254-A2256 PolarHBondContact O-N 3.47Å; A2256-V2258 VanDerWaalsContact C-N 3.33Å; A2256-V2258 PolarHBondContact O-N 2.96Å; A2256-M2268 HydrophobicContact CB-CB 4.04Å |
| 2257 | A | 90.9 | Very high | 91.4 | Very high | 67 Ų | 67 | 49.2 Ų | 49.2 | 55% | 0.554 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -71.1 | -27.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T2254 Y2255 | T2254-A2257 PolarHBondContact O-N 3.13Å; Y2255-A2257 VanDerWaalsContact C-N 3.33Å; Y2255-A2257 PolarHBondContact O-N 2.83Å |
| 2258 | V | 92.2 | Very high | 91.3 | Very high | 20.6667 Ų | 20.6667 | 49.3 Ų | 49.3 | 13% | 0.125 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -85.4 | -49.4 | -179.1 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | L2158 L2161 K2162 T2254 Y2255 A2256 N2260 | L2158-V2258 HydrophobicContact CB-CG1 4.39Å; L2158-V2258 HydrophobicContact CB-CG2 3.95Å; L2158-V2258 HydrophobicContact CD1-CG2 4.3Å; L2158-V2258 HydrophobicContact CD2-CG2 4.32Å; L2158-V2258 HydrophobicContact CG-CG2 4.42Å; L2158-V2258 WeakPolarHBondContact O-CG1 3.32Å; L2161-V2258 HydrophobicContact CB-CG1 4.32Å; L2161-V2258 HydrophobicContact CD2-CG1 4.14Å; L2161-V2258 HydrophobicContact CG-CG1 4.16Å; K2162-V2258 HydrophobicContact CB-CG1 3.97Å; K2162-V2258 PolarHBondContact NZ-O 3.01Å; T2254-V2258 WeakPolarHBondContact O-CG2 3.44Å; T2254-V2258 PolarHBondContact O-N 3.05Å; Y2255-V2258 PolarHBondContact O-N 2.85Å; A2256-V2258 VanDerWaalsContact C-N 3.33Å; A2256-V2258 PolarHBondContact O-N 2.96Å; V2258-N2260 VanDerWaalsContact C-N 3.3Å; V2258-N2260 PolarHBondContact O-N 3.07Å; V2258-N2260 VanDerWaalsContact O-N 3.13Å |
| 2259 | I | 92.3 | Very high | 91.2 | Very high | 5.66667 Ų | 5.66667 | 47.6 Ų | 47.6 | 3% | 0.029 | 27% | 0.268 | C | S | . | . | trans | -89.6 | 69.5 | 179.9 | -55 | 172.1 | 0 | 0 | 0 | 108.8 | L2161 V2165 V2191 Y2255 V2266 M2268 | L2161-I2259 HydrophobicContact CD1-CD1 4.21Å; L2161-I2259 HydrophobicContact CD2-CD1 4.06Å; L2161-I2259 HydrophobicContact CD2-CG1 4.31Å; L2161-I2259 HydrophobicContact CG-CD1 4.24Å; L2161-I2259 HydrophobicContact CG-CG1 4.27Å; V2165-I2259 HydrophobicContact CG2-CG1 4.48Å; V2165-I2259 HydrophobicContact CG2-CG2 4.39Å; V2191-I2259 HydrophobicContact CG1-CG2 4Å; Y2255-I2259 PolarHBondContact O-N 3.26Å; I2259-V2266 HydrophobicContact CG2-CG1 4.33Å; I2259-M2268 HydrophobicContact CB-CE 4.44Å; I2259-M2268 HydrophobicContact CB-CG 4.07Å; I2259-M2268 HydrophobicContact CD1-CE 3.81Å; I2259-M2268 HydrophobicContact CD1-CG 4.06Å; I2259-M2268 HydrophobicContact CD1-SD 3.84Å; I2259-M2268 HydrophobicContact CG2-CE 4.26Å | ||
| 2260 | N | 90.9 | Very high | 91.1 | Very high | 85.6667 Ų | 85.6667 | 49.4 Ų | 49.4 | 46% | 0.458 | 27% | 0.273 | S | S | . | . | trans | -108.2 | 14.3 | -178.5 | 70 | -5.3 | 0 | 0 | 0 | 113.7 | K2162 V2258 F2262 P2263 | K2162-N2260 PolarHBondContact NZ-OD1 3.35Å; V2258-N2260 VanDerWaalsContact C-N 3.3Å; V2258-N2260 PolarHBondContact O-N 3.07Å; V2258-N2260 VanDerWaalsContact O-N 3.13Å; N2260-F2262 VanDerWaalsContact C-N 3.29Å; N2260-F2262 PolarHBondContact O-N 3.04Å; N2260-P2263 WeakPolarHBondContact O-CD 3.4Å | ||
| 2261 | Q | 88 | Confident | 91.2 | Very high | 39.3333 Ų | 39.3333 | 49.1 Ų | 49.1 | 18% | 0.184 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -66.8 | -25.6 | 178.3 | -70 | 82.5 | -5.2 | 0 | 0 | 113.4 | K2162 V2165 D2166 | K2162-Q2261 VanDerWaalsContact CG-NE2 3.28Å; K2162-Q2261 PolarHBondContact O-NE2 2.94Å; V2165-Q2261 HydrophobicContact CG1-CB 4.27Å; V2165-Q2261 HydrophobicContact CG1-CG 3.96Å; D2166-Q2261 VanDerWaalsContact OD1-CG 3.23Å; D2166-Q2261 WeakPolarHBondContact OD1-CG 3.26Å; D2166-Q2261 PolarHBondContact OD1-NE2 3.09Å; D2166-Q2261 PolarHBondContact OD2-NE2 3.15Å |
| 2262 | F | 90.7 | Very high | 91.2 | Very high | 34.6667 Ų | 34.6667 | 49.1 Ų | 49.1 | 15% | 0.152 | 27% | 0.272 | C | S | . | . | trans | -133.8 | 60.4 | -175.1 | -45.3 | -71.1 | 0 | 0 | 0 | 111.5 | V2165 T2169 A2187 V2191 N2260 Q2264 E2265 V2266 | V2165-F2262 HydrophobicContact CG1-CE2 4.09Å; V2165-F2262 HydrophobicContact CG1-CZ 4.41Å; T2169-F2262 HydrophobicContact CG2-CE1 4.21Å; T2169-F2262 HydrophobicContact CG2-CE2 4.22Å; T2169-F2262 HydrophobicContact CG2-CZ 3.51Å; T2169-F2262 VanDerWaalsContact CG2-CZ 3.45Å; A2187-F2262 HydrophobicContact CB-CE1 4.25Å; A2187-F2262 HydrophobicContact CB-CE2 4.23Å; A2187-F2262 HydrophobicContact CB-CZ 3.68Å; V2191-F2262 HydrophobicContact CG2-CE2 4.34Å; N2260-F2262 VanDerWaalsContact C-N 3.29Å; N2260-F2262 PolarHBondContact O-N 3.04Å; F2262-Q2264 PolarHBondContact O-N 3.18Å; F2262-Q2264 VanDerWaalsContact O-N 3.13Å; F2262-E2265 HydrophobicContact CB-CB 4.29Å; F2262-E2265 PolarHBondContact O-N 3.13Å; F2262-V2266 HydrophobicContact CB-CB 4.19Å; F2262-V2266 HydrophobicContact CB-CG2 4.01Å; F2262-V2266 HydrophobicContact CD2-CB 4.43Å; F2262-V2266 HydrophobicContact CD2-CG2 4.19Å; F2262-V2266 HydrophobicContact CG-CG2 4.45Å; F2262-V2266 PolarHBondContact O-N 3.3Å | ||
| 2263 | P | 86.8 | Confident | 91.4 | Very high | 99.6667 Ų | 99.6667 | 46.6 Ų | 46.6 | 65% | 0.647 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -24 | -166.9 | 26.7 | -35 | 0 | 0 | 0 | 114 | N2260 | N2260-P2263 WeakPolarHBondContact O-CD 3.4Š|
| 2264 | Q | 85.9 | Confident | 91.5 | Very high | 181.333 Ų | 181.333 | 46 Ų | 46 | 85% | 0.847 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -21.4 | 175.7 | -67.2 | 175.5 | -23 | 0 | 0 | 113.5 | F2262 | F2262-Q2264 PolarHBondContact O-N 3.18Å; F2262-Q2264 VanDerWaalsContact O-N 3.13Å |
| 2265 | E | 88.1 | Confident | 91.5 | Very high | 60.3333 Ų | 60.3333 | 44.3 Ų | 44.3 | 28% | 0.282 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116 | -28.1 | -170.2 | -61.3 | -176.5 | -161.4 | 0 | 0 | 114.1 | R2186 S2188 F2262 | R2186-E2265 VanDerWaalsContact CZ-CD 3.5Å; R2186-E2265 IonicContact CZ-OE1 3.32Å; R2186-E2265 IonicContact CZ-OE2 3.42Å; R2186-E2265 VanDerWaalsContact CZ-OE2 3.3Å; R2186-E2265 IonicContact NE-OE1 3.37Å; R2186-E2265 PolarHBondContact NE-OE1 2.71Å; R2186-E2265 IonicContact NE-OE2 3.84Å; R2186-E2265 PolarHBondContact NE-OE2 3.06Å; R2186-E2265 VanDerWaalsContact NH1-CD 3.26Å; R2186-E2265 IonicContact NH1-OE1 3.31Å; R2186-E2265 PolarHBondContact NH1-OE1 3.41Å; R2186-E2265 IonicContact NH1-OE2 3.34Å; R2186-E2265 PolarHBondContact NH1-OE2 3.14Å; R2186-E2265 VanDerWaalsContact NH1-OE2 3.09Å; R2186-E2265 IonicContact NH2-OE1 3.07Å; R2186-E2265 PolarHBondContact NH2-OE1 3.04Å; R2186-E2265 IonicContact NH2-OE2 3.33Å; R2186-E2265 PolarHBondContact NH2-OE2 3.15Å; S2188-E2265 WeakPolarHBondContact CB-OE2 3.27Å; S2188-E2265 PolarHBondContact OG-OE2 3.23Å; F2262-E2265 HydrophobicContact CB-CB 4.29Å; F2262-E2265 PolarHBondContact O-N 3.13Å |
| 2266 | V | 89.5 | Confident | 91.5 | Very high | 4.33333 Ų | 4.33333 | 44.4 Ų | 44.4 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | trans | -131.2 | 90.9 | -174.8 | -174.9 | 0 | 0 | 0 | 0 | 109 | S2188 V2191 K2192 I2259 F2262 M2268 I2271 | S2188-V2266 WeakPolarHBondContact O-CG2 3.21Å; V2191-V2266 HydrophobicContact CG1-CG1 4.04Å; K2192-V2266 HydrophobicContact CB-CG2 4.41Å; I2259-V2266 HydrophobicContact CG2-CG1 4.33Å; F2262-V2266 HydrophobicContact CB-CB 4.19Å; F2262-V2266 HydrophobicContact CB-CG2 4.01Å; F2262-V2266 HydrophobicContact CD2-CB 4.43Å; F2262-V2266 HydrophobicContact CD2-CG2 4.19Å; F2262-V2266 HydrophobicContact CG-CG2 4.45Å; F2262-V2266 PolarHBondContact O-N 3.3Å; V2266-M2268 HydrophobicContact CG1-CE 3.81Å; V2266-M2268 HydrophobicContact CG1-SD 4.11Å; V2266-I2271 HydrophobicContact CG1-CD1 3.93Å | ||
| 2267 | N | 91.6 | Very high | 91.7 | Very high | 77.3333 Ų | 77.3333 | 49.2 Ų | 49.2 | 41% | 0.414 | 26% | 0.26 | S | S | . | . | trans | -100.5 | 109.6 | 165.9 | -179.4 | -43.2 | 0 | 0 | 0 | 108.5 | G2269 H2270 I2271 | N2267-G2269 VanDerWaalsContact C-N 3.32Å; N2267-G2269 PolarHBondContact O-N 3.03Å; N2267-G2269 PolarHBondContact OD1-N 2.83Å; N2267-G2269 VanDerWaalsContact OD1-N 3.11Å; N2267-H2270 HydrophobicContact CB-CB 4.06Å; N2267-H2270 PolarHBondContact O-N 3.05Å; N2267-H2270 PolarHBondContact OD1-N 3.2Å; N2267-H2270 VanDerWaalsContact OD1-N 3.09Å; N2267-I2271 VanDerWaalsContact O-CG1 3.29Å; N2267-I2271 WeakPolarHBondContact O-CG1 3.33Å; N2267-I2271 PolarHBondContact O-N 2.98Å | ||
| 2268 | M | 92.1 | Very high | 91.8 | Very high | 1.33333 Ų | 1.33333 | 49.4 Ų | 49.4 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.1 | -37.6 | -174.1 | -134.4 | 27.4 | 36.8 | 0 | 0 | 113 | Y2146 A2195 M2199 D2251 A2256 I2259 V2266 I2271 S2272 | Y2146-M2268 HydrophobicContact CE1-CE 3.93Å; Y2146-M2268 HydrophobicContact CE1-SD 4.24Å; Y2146-M2268 HydrophobicContact CE2-CE 3.94Å; Y2146-M2268 VanDerWaalsContact OH-CE 3.28Å; Y2146-M2268 WeakPolarHBondContact OH-CE 3.48Å; A2195-M2268 HydrophobicContact CB-CE 3.82Å; A2195-M2268 HydrophobicContact CB-SD 3.7Å; A2195-M2268 VanDerWaalsContact CB-SD 3.57Å; M2199-M2268 HydrophobicContact CE-CE 3.6Å; M2199-M2268 HydrophobicContact CE-CG 4.14Å; M2199-M2268 HydrophobicContact CE-SD 3.48Å; M2199-M2268 VanDerWaalsContact CE-SD 3.55Å; M2199-M2268 WeakPolarHBondContact CE-SD 3.26Å; D2251-M2268 HydrophobicContact CB-CG 4.15Å; A2256-M2268 HydrophobicContact CB-CB 4.04Å; I2259-M2268 HydrophobicContact CB-CE 4.44Å; I2259-M2268 HydrophobicContact CB-CG 4.07Å; I2259-M2268 HydrophobicContact CD1-CE 3.81Å; I2259-M2268 HydrophobicContact CD1-CG 4.06Å; I2259-M2268 HydrophobicContact CD1-SD 3.84Å; I2259-M2268 HydrophobicContact CG2-CE 4.26Å; V2266-M2268 HydrophobicContact CG1-CE 3.81Å; V2266-M2268 HydrophobicContact CG1-SD 4.11Å; M2268-I2271 PolarHBondContact O-N 3.12Å; M2268-S2272 VanDerWaalsContact O-CB 3.23Å; M2268-S2272 WeakPolarHBondContact O-CB 3.38Å; M2268-S2272 PolarHBondContact O-N 3.38Å |
| 2269 | G | 91.6 | Very high | 91.8 | Very high | 4.66667 Ų | 4.66667 | 52.5 Ų | 52.5 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N2267 S2272 A2273 | N2267-G2269 VanDerWaalsContact C-N 3.32Å; N2267-G2269 PolarHBondContact O-N 3.03Å; N2267-G2269 PolarHBondContact OD1-N 2.83Å; N2267-G2269 VanDerWaalsContact OD1-N 3.11Å; G2269-S2272 WeakPolarHBondContact O-CB 3.15Å; G2269-S2272 PolarHBondContact O-N 3.05Å; G2269-A2273 WeakPolarHBondContact O-CB 3.3Å; G2269-A2273 PolarHBondContact O-N 3Å |
| 2270 | H | 92.6 | Very high | 91.9 | Very high | 118.667 Ų | 118.667 | 52.9 Ų | 52.9 | 55% | 0.549 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 177.4 | -176.6 | -120.9 | 0 | 0 | 0 | 112.6 | N2267 S2272 A2273 L2274 | N2267-H2270 HydrophobicContact CB-CB 4.06Å; N2267-H2270 PolarHBondContact O-N 3.05Å; N2267-H2270 PolarHBondContact OD1-N 3.2Å; N2267-H2270 VanDerWaalsContact OD1-N 3.09Å; H2270-S2272 VanDerWaalsContact C-N 3.3Å; H2270-S2272 PolarHBondContact O-N 3.21Å; H2270-A2273 PolarHBondContact O-N 3.27Å; H2270-L2274 WeakPolarHBondContact O-CB 3.16Å; H2270-L2274 PolarHBondContact O-N 3.19Å |
| 2271 | I | 93.7 | Very high | 92 | Very high | 9 Ų | 9 | 50.1 Ų | 50.1 | 5% | 0.046 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.2 | -39.1 | 176.2 | -60.7 | 162.4 | 0 | 0 | 0 | 110.2 | K2192 A2195 R2196 M2199 V2266 N2267 M2268 L2274 C2275 | K2192-I2271 HydrophobicContact CG-CD1 4.04Å; A2195-I2271 HydrophobicContact CB-CG2 4.15Å; R2196-I2271 HydrophobicContact CG-CG2 3.85Å; M2199-I2271 HydrophobicContact CE-CB 4.13Å; M2199-I2271 HydrophobicContact CE-CG2 4.22Å; M2199-I2271 VanDerWaalsContact SD-C 3.55Å; M2199-I2271 HydrophobicContact SD-CB 4.17Å; M2199-I2271 HydrophobicContact SD-CG2 3.6Å; M2199-I2271 VanDerWaalsContact SD-CG2 3.53Å; V2266-I2271 HydrophobicContact CG1-CD1 3.93Å; N2267-I2271 VanDerWaalsContact O-CG1 3.29Å; N2267-I2271 WeakPolarHBondContact O-CG1 3.33Å; N2267-I2271 PolarHBondContact O-N 2.98Å; M2268-I2271 PolarHBondContact O-N 3.12Å; I2271-L2274 PolarHBondContact O-N 3.3Å; I2271-C2275 WeakPolarHBondContact O-CB 3.31Å; I2271-C2275 PolarHBondContact O-N 3.17Å; I2271-C2275 VanDerWaalsContact O-N 3.09Å |
| 2272 | S | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.5 | -52.7 | 174.6 | -161.5 | 0 | 0 | 0 | 0 | 111.2 | M2199 D2251 M2268 G2269 H2270 L2274 C2275 M2276 | M2199-S2272 VanDerWaalsContact CE-CB 3.48Å; M2199-S2272 VanDerWaalsContact CE-N 3.33Å; M2199-S2272 VanDerWaalsContact SD-CA 3.54Å; M2199-S2272 WeakPolarHBondContact SD-CA 3.47Å; M2199-S2272 PolarHBondContact SD-N 3.02Å; D2251-S2272 WeakPolarHBondContact OD2-CB 3.25Å; D2251-S2272 PolarHBondContact OD2-OG 3.03Å; M2268-S2272 VanDerWaalsContact O-CB 3.23Å; M2268-S2272 WeakPolarHBondContact O-CB 3.38Å; M2268-S2272 PolarHBondContact O-N 3.38Å; G2269-S2272 WeakPolarHBondContact O-CB 3.15Å; G2269-S2272 PolarHBondContact O-N 3.05Å; H2270-S2272 VanDerWaalsContact C-N 3.3Å; H2270-S2272 PolarHBondContact O-N 3.21Å; S2272-L2274 VanDerWaalsContact C-N 3.33Å; S2272-L2274 PolarHBondContact O-N 3.01Å; S2272-C2275 PolarHBondContact O-N 3.36Å; S2272-M2276 VanDerWaalsContact O-CB 3.25Å; S2272-M2276 WeakPolarHBondContact O-CB 3.33Å; S2272-M2276 WeakPolarHBondContact O-CG 3.35Å; S2272-M2276 PolarHBondContact O-N 3.12Å |
| 2273 | A | 95.3 | Very high | 92.2 | Very high | 34.3333 Ų | 34.3333 | 52.7 Ų | 52.7 | 28% | 0.284 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -56.8 | -45.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I2248 G2269 H2270 W2277 | I2248-A2273 HydrophobicContact CD1-CB 4.42Å; I2248-A2273 HydrophobicContact CG2-CB 4.04Å; G2269-A2273 WeakPolarHBondContact O-CB 3.3Å; G2269-A2273 PolarHBondContact O-N 3Å; H2270-A2273 PolarHBondContact O-N 3.27Å; A2273-W2277 WeakPolarHBondContact O-CB 3.36Å; A2273-W2277 PolarHBondContact O-N 3.27Å |
| 2274 | L | 94.6 | Very high | 92.4 | Very high | 60.6667 Ų | 60.6667 | 49.1 Ų | 49.1 | 32% | 0.318 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.7 | -53.3 | 178.2 | -179.3 | 64.5 | 0 | 0 | 0 | 111.8 | H2270 I2271 S2272 M2276 W2277 E2278 | H2270-L2274 WeakPolarHBondContact O-CB 3.16Å; H2270-L2274 PolarHBondContact O-N 3.19Å; I2271-L2274 PolarHBondContact O-N 3.3Å; S2272-L2274 VanDerWaalsContact C-N 3.33Å; S2272-L2274 PolarHBondContact O-N 3.01Å; L2274-M2276 PolarHBondContact O-N 3.15Å; L2274-W2277 CarbonylContact O-C 3.55Å; L2274-W2277 WeakPolarHBondContact O-CA 3.47Å; L2274-W2277 WeakPolarHBondContact O-CB 3.48Å; L2274-W2277 PolarHBondContact O-N 3.06Å; L2274-W2277 VanDerWaalsContact O-N 3.07Å; L2274-E2278 HydrophobicContact CD1-CG 4.27Å; L2274-E2278 HydrophobicContact CG-CG 4.42Å; L2274-E2278 WeakPolarHBondContact CG-OE1 3.28Å; L2274-E2278 WeakPolarHBondContact O-CB 3.46Å; L2274-E2278 VanDerWaalsContact O-CG 3.29Å; L2274-E2278 WeakPolarHBondContact O-CG 3.34Å; L2274-E2278 PolarHBondContact O-N 2.94Å |
| 2275 | C | 94.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.007 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.9 | -30.1 | -175 | -72 | 0 | 0 | 0 | 0 | 113.9 | M2199 I2271 S2272 E2278 R2279 | M2199-C2275 HydrophobicContact CB-CB 3.92Å; M2199-C2275 HydrophobicContact CG-CB 4.13Å; M2199-C2275 HydrophobicContact SD-CB 4.24Å; I2271-C2275 WeakPolarHBondContact O-CB 3.31Å; I2271-C2275 PolarHBondContact O-N 3.17Å; I2271-C2275 VanDerWaalsContact O-N 3.09Å; S2272-C2275 PolarHBondContact O-N 3.36Å; C2275-E2278 WeakPolarHBondContact CA-OE2 3.4Å; C2275-E2278 PolarHBondContact SG-OE2 3.23Å; C2275-E2278 VanDerWaalsContact SG-OE2 3.39Å; C2275-R2279 WeakPolarHBondContact O-CG 3.27Å; C2275-R2279 PolarHBondContact O-N 3.15Å |
| 2276 | M | 94 | Very high | 92.4 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71 | -37.3 | 171.5 | -62.7 | -64.5 | 167.2 | 0 | 0 | 110.9 | M2199 T2202 Y2203 L2244 V2247 I2248 S2272 L2274 L2280 | M2199-M2276 HydrophobicContact CB-CE 3.94Å; M2199-M2276 HydrophobicContact CG-CE 4.29Å; M2199-M2276 VanDerWaalsContact O-CE 3.31Å; M2199-M2276 WeakPolarHBondContact O-CE 3.39Å; M2199-M2276 HydrophobicContact SD-CE 3.91Å; T2202-M2276 HydrophobicContact CG2-CE 4.13Å; Y2203-M2276 HydrophobicContact CD2-SD 4.06Å; L2244-M2276 HydrophobicContact CD2-CB 4.41Å; L2244-M2276 HydrophobicContact CD2-CG 4.38Å; L2244-M2276 HydrophobicContact CD2-SD 3.61Å; L2244-M2276 VanDerWaalsContact CD2-SD 3.55Å; V2247-M2276 HydrophobicContact CG1-CE 3.62Å; V2247-M2276 HydrophobicContact CG1-SD 4.39Å; I2248-M2276 HydrophobicContact CD1-CB 4.07Å; I2248-M2276 HydrophobicContact CD1-CG 4.38Å; I2248-M2276 HydrophobicContact CG1-CB 4.33Å; I2248-M2276 HydrophobicContact CG1-CG 4.1Å; S2272-M2276 VanDerWaalsContact O-CB 3.25Å; S2272-M2276 WeakPolarHBondContact O-CB 3.33Å; S2272-M2276 WeakPolarHBondContact O-CG 3.35Å; S2272-M2276 PolarHBondContact O-N 3.12Å; L2274-M2276 PolarHBondContact O-N 3.15Å; M2276-L2280 WeakPolarHBondContact O-CB 3.24Å; M2276-L2280 PolarHBondContact O-N 3.23Å; M2276-L2280 VanDerWaalsContact O-N 3.08Å |
| 2277 | W | 95.3 | Very high | 92.3 | Very high | 126 Ų | 126 | 46.3 Ų | 46.3 | 48% | 0.477 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.4 | -46.1 | 175.8 | 177.3 | -107.6 | 0 | 0 | 0 | 112.6 | A2273 L2274 R2279 L2280 S2281 W2299 | A2273-W2277 WeakPolarHBondContact O-CB 3.36Å; A2273-W2277 PolarHBondContact O-N 3.27Å; L2274-W2277 CarbonylContact O-C 3.55Å; L2274-W2277 WeakPolarHBondContact O-CA 3.47Å; L2274-W2277 WeakPolarHBondContact O-CB 3.48Å; L2274-W2277 PolarHBondContact O-N 3.06Å; L2274-W2277 VanDerWaalsContact O-N 3.07Å; W2277-R2279 VanDerWaalsContact C-N 3.31Å; W2277-R2279 PolarHBondContact O-N 3.29Å; W2277-L2280 HydrophobicContact CE3-CB 4.25Å; W2277-L2280 HydrophobicContact CE3-CD2 4.29Å; W2277-L2280 HydrophobicContact CE3-CG 4.45Å; W2277-L2280 HydrophobicContact CZ3-CB 4.3Å; W2277-L2280 HydrophobicContact CZ3-CD2 4.01Å; W2277-L2280 HydrophobicContact CZ3-CG 4.15Å; W2277-L2280 PolarHBondContact O-N 3.27Å; W2277-S2281 VanDerWaalsContact O-CB 3.28Å; W2277-S2281 WeakPolarHBondContact O-CB 3.24Å; W2277-S2281 PolarHBondContact O-N 3.03Å; W2277-S2281 PolarHBondContact O-OG 3.29Å; W2277-W2299 HydrophobicContact CH2-CH2 4.05Å; W2277-W2299 HydrophobicContact CH2-CZ3 4.15Å; W2277-W2299 HydrophobicContact CZ2-CH2 4.28Å |
| 2278 | E | 93.7 | Very high | 92.1 | Very high | 70 Ų | 70 | 43.6 Ų | 43.6 | 33% | 0.327 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -50.7 | -52.2 | 176.2 | -76 | 168 | 165.9 | 0 | 0 | 110.7 | L2274 C2275 S2281 E2282 | L2274-E2278 HydrophobicContact CD1-CG 4.27Å; L2274-E2278 HydrophobicContact CG-CG 4.42Å; L2274-E2278 WeakPolarHBondContact CG-OE1 3.28Å; L2274-E2278 WeakPolarHBondContact O-CB 3.46Å; L2274-E2278 VanDerWaalsContact O-CG 3.29Å; L2274-E2278 WeakPolarHBondContact O-CG 3.34Å; L2274-E2278 PolarHBondContact O-N 2.94Å; C2275-E2278 WeakPolarHBondContact CA-OE2 3.4Å; C2275-E2278 PolarHBondContact SG-OE2 3.23Å; C2275-E2278 VanDerWaalsContact SG-OE2 3.39Å; E2278-S2281 PolarHBondContact O-N 3.27Å; E2278-S2281 PolarHBondContact O-OG 3.29Å; E2278-E2282 WeakPolarHBondContact O-CG 3.32Å; E2278-E2282 PolarHBondContact O-N 3.23Å |
| 2279 | R | 93.1 | Very high | 91.8 | Very high | 87.3333 Ų | 87.3333 | 46 Ų | 46 | 33% | 0.33 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -69.5 | -42.2 | 179 | -65.1 | -53.7 | -171.8 | -166.6 | -0.7 | 113.7 | Y2203 C2275 W2277 S2281 E2282 D2283 | Y2203-R2279 HydrophobicContact CD1-CB 3.64Å; Y2203-R2279 HydrophobicContact CD1-CG 4.14Å; Y2203-R2279 HydrophobicContact CD2-CB 3.63Å; Y2203-R2279 HydrophobicContact CD2-CG 4.41Å; Y2203-R2279 HydrophobicContact CE1-CB 3.67Å; Y2203-R2279 HydrophobicContact CE1-CG 4.49Å; Y2203-R2279 HydrophobicContact CE2-CB 3.63Å; Y2203-R2279 HydrophobicContact CG-CB 3.65Å; Y2203-R2279 HydrophobicContact CG-CG 4.12Å; Y2203-R2279 PolarHBondContact OH-O 3.5Å; C2275-R2279 WeakPolarHBondContact O-CG 3.27Å; C2275-R2279 PolarHBondContact O-N 3.15Å; W2277-R2279 VanDerWaalsContact C-N 3.31Å; W2277-R2279 PolarHBondContact O-N 3.29Å; R2279-S2281 VanDerWaalsContact C-N 3.29Å; R2279-S2281 PolarHBondContact O-N 2.91Å; R2279-E2282 WeakPolarHBondContact CD-OE2 3.36Å; R2279-E2282 IonicContact CZ-OE2 3.16Å; R2279-E2282 IonicContact NE-OE2 3.72Å; R2279-E2282 VanDerWaalsContact NH1-CD 3.34Å; R2279-E2282 IonicContact NH1-OE1 3.22Å; R2279-E2282 PolarHBondContact NH1-OE1 2.78Å; R2279-E2282 IonicContact NH1-OE2 2.89Å; R2279-E2282 PolarHBondContact NH1-OE2 3.33Å; R2279-E2282 PolarHBondContact O-N 3.08Å; R2279-D2283 PolarHBondContact O-N 3.14Å; R2279-D2283 VanDerWaalsContact O-N 3.09Å |
| 2280 | L | 94.4 | Very high | 91.5 | Very high | 14 Ų | 14 | 49.5 Ų | 49.5 | 7% | 0.073 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.8 | -36.9 | 176.9 | -176 | 65.7 | 0 | 0 | 0 | 112 | Y2203 L2240 I2241 L2244 M2276 W2277 D2283 I2284 | Y2203-L2280 HydrophobicContact CE2-CB 4.12Å; Y2203-L2280 WeakPolarHBondContact OH-CA 3.49Å; L2240-L2280 HydrophobicContact CD2-CD1 4.03Å; L2240-L2280 HydrophobicContact CG-CD1 4.39Å; I2241-L2280 HydrophobicContact CG1-CD1 4.31Å; I2241-L2280 HydrophobicContact CG1-CD2 4.03Å; L2244-L2280 HydrophobicContact CD1-CB 4.21Å; L2244-L2280 HydrophobicContact CD1-CD1 3.84Å; L2244-L2280 HydrophobicContact CD1-CD2 4.02Å; L2244-L2280 HydrophobicContact CD1-CG 4.25Å; M2276-L2280 WeakPolarHBondContact O-CB 3.24Å; M2276-L2280 PolarHBondContact O-N 3.23Å; M2276-L2280 VanDerWaalsContact O-N 3.08Å; W2277-L2280 HydrophobicContact CE3-CB 4.25Å; W2277-L2280 HydrophobicContact CE3-CD2 4.29Å; W2277-L2280 HydrophobicContact CE3-CG 4.45Å; W2277-L2280 HydrophobicContact CZ3-CB 4.3Å; W2277-L2280 HydrophobicContact CZ3-CD2 4.01Å; W2277-L2280 HydrophobicContact CZ3-CG 4.15Å; W2277-L2280 PolarHBondContact O-N 3.27Å; L2280-D2283 PolarHBondContact O-N 3.03Å; L2280-I2284 HydrophobicContact CD1-CD1 3.68Å; L2280-I2284 HydrophobicContact CD1-CG1 3.97Å; L2280-I2284 HydrophobicContact CD2-CD1 4.25Å; L2280-I2284 HydrophobicContact CG-CD1 3.69Å; L2280-I2284 HydrophobicContact CG-CG1 4.23Å; L2280-I2284 VanDerWaalsContact O-CB 3.25Å; L2280-I2284 WeakPolarHBondContact O-CB 3.29Å; L2280-I2284 VanDerWaalsContact O-CG1 3.28Å; L2280-I2284 WeakPolarHBondContact O-CG1 3.46Å; L2280-I2284 PolarHBondContact O-N 2.82Å |
| 2281 | S | 92.6 | Very high | 91.2 | Very high | 25.3333 Ų | 25.3333 | 46.1 Ų | 46.1 | 18% | 0.177 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.6 | -43.4 | 178.8 | 64.4 | 0 | 0 | 0 | 0 | 112.4 | W2277 E2278 R2279 D2283 Q2285 | W2277-S2281 VanDerWaalsContact O-CB 3.28Å; W2277-S2281 WeakPolarHBondContact O-CB 3.24Å; W2277-S2281 PolarHBondContact O-N 3.03Å; W2277-S2281 PolarHBondContact O-OG 3.29Å; E2278-S2281 PolarHBondContact O-N 3.27Å; E2278-S2281 PolarHBondContact O-OG 3.29Å; R2279-S2281 VanDerWaalsContact C-N 3.29Å; R2279-S2281 PolarHBondContact O-N 2.91Å; S2281-D2283 PolarHBondContact O-N 3.44Å; S2281-Q2285 VanDerWaalsContact O-CB 3.24Å; S2281-Q2285 WeakPolarHBondContact O-CB 3.34Å; S2281-Q2285 PolarHBondContact O-N 3.12Å |
| 2282 | E | 90.8 | Very high | 90.6 | Very high | 90.3333 Ų | 90.3333 | 46.3 Ų | 46.3 | 42% | 0.422 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.1 | -49.9 | 173.5 | -69.9 | 172.3 | 156.3 | 0 | 0 | 111.1 | E2278 R2279 Q2285 I2286 | E2278-E2282 WeakPolarHBondContact O-CG 3.32Å; E2278-E2282 PolarHBondContact O-N 3.23Å; R2279-E2282 WeakPolarHBondContact CD-OE2 3.36Å; R2279-E2282 IonicContact CZ-OE2 3.16Å; R2279-E2282 IonicContact NE-OE2 3.72Å; R2279-E2282 VanDerWaalsContact NH1-CD 3.34Å; R2279-E2282 IonicContact NH1-OE1 3.22Å; R2279-E2282 PolarHBondContact NH1-OE1 2.78Å; R2279-E2282 IonicContact NH1-OE2 2.89Å; R2279-E2282 PolarHBondContact NH1-OE2 3.33Å; R2279-E2282 PolarHBondContact O-N 3.08Å; E2282-Q2285 PolarHBondContact O-N 2.84Å; E2282-I2286 WeakPolarHBondContact O-CD1 3.32Å; E2282-I2286 WeakPolarHBondContact O-CG1 3.38Å; E2282-I2286 PolarHBondContact O-N 3.32Å; E2282-I2286 VanDerWaalsContact O-N 3.15Å |
| 2283 | D | 91.9 | Very high | 89.8 | Confident | 39.6667 Ų | 39.6667 | 54.4 Ų | 54.4 | 21% | 0.212 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -71.3 | -38.5 | -177.1 | -80.3 | -34.4 | 0 | 0 | 0 | 113.2 | Y2203 Y2207 W2237 R2279 L2280 S2281 Q2285 I2286 A2287 | Y2203-D2283 WeakPolarHBondContact CE1-OD2 3.29Å; Y2203-D2283 VanDerWaalsContact CZ-OD2 3.26Å; Y2203-D2283 PolarHBondContact OH-OD2 3.04Å; Y2207-D2283 HydrophobicContact CE2-CB 4.1Å; Y2207-D2283 VanDerWaalsContact CE2-CG 3.46Å; Y2207-D2283 VanDerWaalsContact CE2-OD2 3.25Å; Y2207-D2283 WeakPolarHBondContact CE2-OD2 3.31Å; Y2207-D2283 PolarHBondContact OH-OD1 2.6Å; W2237-D2283 HydrophobicContact CH2-CB 4.03Å; W2237-D2283 WeakPolarHBondContact CH2-O 3.33Å; W2237-D2283 HydrophobicContact CZ3-CB 4.1Å; R2279-D2283 PolarHBondContact O-N 3.14Å; R2279-D2283 VanDerWaalsContact O-N 3.09Å; L2280-D2283 PolarHBondContact O-N 3.03Å; S2281-D2283 PolarHBondContact O-N 3.44Å; D2283-Q2285 VanDerWaalsContact C-N 3.34Å; D2283-I2286 PolarHBondContact O-N 2.76Å; D2283-A2287 VanDerWaalsContact O-CB 3.3Å; D2283-A2287 WeakPolarHBondContact O-CB 3.43Å; D2283-A2287 PolarHBondContact O-N 3.16Å; D2283-A2287 VanDerWaalsContact O-N 3.07Å |
| 2284 | I | 90 | Very high | 88.8 | Confident | 22.6667 Ų | 22.6667 | 56.4 Ų | 56.4 | 12% | 0.116 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.4 | -40.2 | 175.2 | -75.2 | -179 | 0 | 0 | 0 | 110.9 | W2237 I2241 L2280 A2287 L2288 W2299 | W2237-I2284 HydrophobicContact CD2-CG1 4.46Å; W2237-I2284 HydrophobicContact CE3-CD1 4.42Å; W2237-I2284 HydrophobicContact CE3-CG1 3.7Å; W2237-I2284 HydrophobicContact CH2-CG1 4.47Å; W2237-I2284 HydrophobicContact CZ3-CG1 3.75Å; I2241-I2284 HydrophobicContact CD1-CD1 4.39Å; L2280-I2284 HydrophobicContact CD1-CD1 3.68Å; L2280-I2284 HydrophobicContact CD1-CG1 3.97Å; L2280-I2284 HydrophobicContact CD2-CD1 4.25Å; L2280-I2284 HydrophobicContact CG-CD1 3.69Å; L2280-I2284 HydrophobicContact CG-CG1 4.23Å; L2280-I2284 VanDerWaalsContact O-CB 3.25Å; L2280-I2284 WeakPolarHBondContact O-CB 3.29Å; L2280-I2284 VanDerWaalsContact O-CG1 3.28Å; L2280-I2284 WeakPolarHBondContact O-CG1 3.46Å; L2280-I2284 PolarHBondContact O-N 2.82Å; I2284-A2287 PolarHBondContact O-N 2.99Å; I2284-L2288 HydrophobicContact CG2-CD1 3.51Å; I2284-L2288 VanDerWaalsContact CG2-CD1 3.48Å; I2284-L2288 HydrophobicContact CG2-CG 4.11Å; I2284-L2288 WeakPolarHBondContact O-CB 3.32Å; I2284-L2288 VanDerWaalsContact O-CG 3.3Å; I2284-L2288 WeakPolarHBondContact O-CG 3.31Å; I2284-L2288 PolarHBondContact O-N 3.22Å; I2284-W2299 HydrophobicContact CB-CZ3 4.48Å; I2284-W2299 HydrophobicContact CG2-CE3 3.85Å; I2284-W2299 HydrophobicContact CG2-CZ3 3.96Å |
| 2285 | Q | 87.5 | Confident | 87.5 | Confident | 73.6667 Ų | 73.6667 | 59.7 Ų | 59.7 | 34% | 0.344 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.7 | -54.4 | 176.2 | 174.2 | 172.5 | -13.8 | 0 | 0 | 110.5 | S2281 E2282 D2283 A2287 L2288 E2289 W2299 | S2281-Q2285 VanDerWaalsContact O-CB 3.24Å; S2281-Q2285 WeakPolarHBondContact O-CB 3.34Å; S2281-Q2285 PolarHBondContact O-N 3.12Å; E2282-Q2285 PolarHBondContact O-N 2.84Å; D2283-Q2285 VanDerWaalsContact C-N 3.34Å; Q2285-A2287 VanDerWaalsContact C-N 3.28Å; Q2285-A2287 PolarHBondContact O-N 3.28Å; Q2285-L2288 PolarHBondContact O-N 3.48Å; Q2285-L2288 VanDerWaalsContact O-N 3.11Å; Q2285-E2289 HydrophobicContact CG-CG 4.39Å; Q2285-E2289 WeakPolarHBondContact CG-OE1 3.29Å; Q2285-E2289 PolarHBondContact NE2-OE1 2.97Å; Q2285-E2289 WeakPolarHBondContact O-CB 3.46Å; Q2285-E2289 WeakPolarHBondContact O-CG 3.34Å; Q2285-E2289 PolarHBondContact O-N 3.05Å; Q2285-W2299 HydrophobicContact CB-CD2 4.38Å; Q2285-W2299 HydrophobicContact CB-CZ2 3.94Å |
| 2286 | I | 87.4 | Confident | 86.1 | Confident | 98 Ų | 98 | 61 Ų | 61 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58 | -41.9 | 179.3 | -66.9 | 165.8 | 0 | 0 | 0 | 110.6 | E2282 D2283 E2289 V2290 | E2282-I2286 WeakPolarHBondContact O-CD1 3.32Å; E2282-I2286 WeakPolarHBondContact O-CG1 3.38Å; E2282-I2286 PolarHBondContact O-N 3.32Å; E2282-I2286 VanDerWaalsContact O-N 3.15Å; D2283-I2286 PolarHBondContact O-N 2.76Å; I2286-E2289 PolarHBondContact O-N 2.97Å; I2286-V2290 WeakPolarHBondContact O-CB 3.43Å; I2286-V2290 VanDerWaalsContact O-CG2 3.25Å; I2286-V2290 WeakPolarHBondContact O-CG2 3.38Å; I2286-V2290 PolarHBondContact O-N 2.94Å; I2286-V2290 VanDerWaalsContact O-N 3.1Å |
| 2287 | A | 87.4 | Confident | 85.2 | Confident | 17 Ų | 17 | 69.5 Ų | 69.5 | 14% | 0.14 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | W2237 D2283 I2284 Q2285 V2290 H2291 | W2237-A2287 HydrophobicContact CH2-CB 3.87Å; W2237-A2287 HydrophobicContact CZ2-CB 3.27Å; D2283-A2287 VanDerWaalsContact O-CB 3.3Å; D2283-A2287 WeakPolarHBondContact O-CB 3.43Å; D2283-A2287 PolarHBondContact O-N 3.16Å; D2283-A2287 VanDerWaalsContact O-N 3.07Å; I2284-A2287 PolarHBondContact O-N 2.99Å; Q2285-A2287 VanDerWaalsContact C-N 3.28Å; Q2285-A2287 PolarHBondContact O-N 3.28Å; A2287-V2290 PolarHBondContact O-N 3.01Å; A2287-H2291 WeakPolarHBondContact O-CB 3.44Å; A2287-H2291 PolarHBondContact O-CD2 3.23Å; A2287-H2291 VanDerWaalsContact O-CD2 3.24Å; A2287-H2291 PolarHBondContact O-N 3.14Å |
| 2288 | L | 87.7 | Confident | 84.5 | Confident | 20.6667 Ų | 20.6667 | 66.2 Ų | 66.2 | 11% | 0.108 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71.2 | -36.4 | -178.6 | -70 | 173.4 | 0 | 0 | 0 | 112.3 | I2284 Q2285 V2290 H2291 A2292 W2299 F2300 F2303 | I2284-L2288 HydrophobicContact CG2-CD1 3.51Å; I2284-L2288 VanDerWaalsContact CG2-CD1 3.48Å; I2284-L2288 HydrophobicContact CG2-CG 4.11Å; I2284-L2288 WeakPolarHBondContact O-CB 3.32Å; I2284-L2288 VanDerWaalsContact O-CG 3.3Å; I2284-L2288 WeakPolarHBondContact O-CG 3.31Å; I2284-L2288 PolarHBondContact O-N 3.22Å; Q2285-L2288 PolarHBondContact O-N 3.48Å; Q2285-L2288 VanDerWaalsContact O-N 3.11Å; L2288-V2290 VanDerWaalsContact C-N 3.34Å; L2288-V2290 PolarHBondContact O-N 3.08Å; L2288-H2291 PolarHBondContact O-N 3.2Å; L2288-A2292 VanDerWaalsContact O-CB 3.23Å; L2288-A2292 WeakPolarHBondContact O-CB 3.26Å; L2288-A2292 PolarHBondContact O-N 2.97Å; L2288-W2299 HydrophobicContact CB-CB 4.05Å; L2288-W2299 HydrophobicContact CD1-CB 3.43Å; L2288-W2299 VanDerWaalsContact CD1-CB 3.44Å; L2288-W2299 HydrophobicContact CD1-CE3 4.24Å; L2288-W2299 HydrophobicContact CD1-CG 4.29Å; L2288-W2299 HydrophobicContact CG-CB 4.38Å; L2288-F2300 HydrophobicContact CD1-CD1 4.36Å; L2288-F2300 HydrophobicContact CD1-CD2 4.15Å; L2288-F2300 HydrophobicContact CD1-CE1 3.92Å; L2288-F2300 HydrophobicContact CD1-CE2 3.67Å; L2288-F2300 HydrophobicContact CD1-CG 4.48Å; L2288-F2300 HydrophobicContact CD1-CZ 3.55Å; L2288-F2300 HydrophobicContact CD2-CE1 4.15Å; L2288-F2300 HydrophobicContact CD2-CZ 4.45Å; L2288-F2303 HydrophobicContact CB-CE2 4.28Å; L2288-F2303 HydrophobicContact CD2-CD2 4.42Å; L2288-F2303 HydrophobicContact CD2-CE2 3.78Å; L2288-F2303 HydrophobicContact CD2-CZ 4.2Å; L2288-F2303 HydrophobicContact CG-CE2 4.49Å |
| 2289 | E | 86.3 | Confident | 84.1 | Confident | 52 Ų | 52 | 65.4 Ų | 65.4 | 24% | 0.243 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.1 | -44.8 | 170.2 | -72.9 | 171.8 | -169.9 | 0 | 0 | 111.4 | Q2285 I2286 H2291 A2292 H2293 T2294 | Q2285-E2289 HydrophobicContact CG-CG 4.39Å; Q2285-E2289 WeakPolarHBondContact CG-OE1 3.29Å; Q2285-E2289 PolarHBondContact NE2-OE1 2.97Å; Q2285-E2289 WeakPolarHBondContact O-CB 3.46Å; Q2285-E2289 WeakPolarHBondContact O-CG 3.34Å; Q2285-E2289 PolarHBondContact O-N 3.05Å; I2286-E2289 PolarHBondContact O-N 2.97Å; E2289-H2291 PolarHBondContact O-N 3.43Å; E2289-A2292 PolarHBondContact O-N 3.29Å; E2289-H2293 WeakPolarHBondContact O-CA 3.44Å; E2289-H2293 PolarHBondContact O-N 3.15Å; E2289-T2294 PolarHBondContact O-N 3.07Å |
| 2290 | V | 85.3 | Confident | 84 | Confident | 77.3333 Ų | 77.3333 | 66.5 Ų | 66.5 | 47% | 0.469 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.3 | -35.8 | 177 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | L2231 I2286 A2287 L2288 H2293 | L2231-V2290 HydrophobicContact CD1-CG1 4.4Å; L2231-V2290 HydrophobicContact CD2-CG1 3.82Å; I2286-V2290 WeakPolarHBondContact O-CB 3.43Å; I2286-V2290 VanDerWaalsContact O-CG2 3.25Å; I2286-V2290 WeakPolarHBondContact O-CG2 3.38Å; I2286-V2290 PolarHBondContact O-N 2.94Å; I2286-V2290 VanDerWaalsContact O-N 3.1Å; A2287-V2290 PolarHBondContact O-N 3.01Å; L2288-V2290 VanDerWaalsContact C-N 3.34Å; L2288-V2290 PolarHBondContact O-N 3.08Å; V2290-H2293 PolarHBondContact O-CE1 2.92Å; V2290-H2293 VanDerWaalsContact O-CE1 3.28Å; V2290-H2293 PolarHBondContact O-ND1 3.29Å |
| 2291 | H | 84.4 | Confident | 83.8 | Confident | 48 Ų | 48 | 67.3 Ų | 67.3 | 22% | 0.222 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.7 | -39.7 | 173.1 | -88.8 | -84.8 | 0 | 0 | 0 | 112.7 | L2231 A2287 L2288 E2289 H2293 F2303 | L2231-H2291 PolarHBondContact O-CE1 3.18Å; A2287-H2291 WeakPolarHBondContact O-CB 3.44Å; A2287-H2291 PolarHBondContact O-CD2 3.23Å; A2287-H2291 VanDerWaalsContact O-CD2 3.24Å; A2287-H2291 PolarHBondContact O-N 3.14Å; L2288-H2291 PolarHBondContact O-N 3.2Å; E2289-H2291 PolarHBondContact O-N 3.43Å; H2291-H2293 VanDerWaalsContact C-N 3.32Å; H2291-H2293 PolarHBondContact O-N 2.79Å; H2291-H2293 PolarHBondContact O-ND1 3.47Å; H2291-H2293 VanDerWaalsContact O-ND1 3.13Å; H2291-F2303 HydrophobicContact CB-CE1 3.98Å; H2291-F2303 HydrophobicContact CB-CZ 3.63Å |
| 2292 | A | 82.2 | Confident | 83.7 | Confident | 13.3333 Ų | 13.3333 | 68.3 Ų | 68.3 | 11% | 0.11 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -80.7 | -13.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L2288 E2289 T2294 V2302 F2303 | L2288-A2292 VanDerWaalsContact O-CB 3.23Å; L2288-A2292 WeakPolarHBondContact O-CB 3.26Å; L2288-A2292 PolarHBondContact O-N 2.97Å; E2289-A2292 PolarHBondContact O-N 3.29Å; A2292-T2294 PolarHBondContact O-N 3.03Å; A2292-T2294 PolarHBondContact O-OG1 3.22Å; A2292-V2302 HydrophobicContact CB-CB 4.39Å; A2292-V2302 HydrophobicContact CB-CG1 4.33Å; A2292-V2302 HydrophobicContact CB-CG2 4.38Å; A2292-F2303 HydrophobicContact CB-CE1 4.5Å; A2292-F2303 HydrophobicContact CB-CE2 4.14Å; A2292-F2303 HydrophobicContact CB-CZ 3.78Å |
| 2293 | H | 78.7 | Confident | 83.7 | Confident | 169 Ų | 169 | 66.8 Ų | 66.8 | 78% | 0.782 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 19.3 | -171.4 | -57 | 40.4 | 0 | 0 | 0 | 113.5 | E2289 V2290 H2291 | E2289-H2293 WeakPolarHBondContact O-CA 3.44Å; E2289-H2293 PolarHBondContact O-N 3.15Å; V2290-H2293 PolarHBondContact O-CE1 2.92Å; V2290-H2293 VanDerWaalsContact O-CE1 3.28Å; V2290-H2293 PolarHBondContact O-ND1 3.29Å; H2291-H2293 VanDerWaalsContact C-N 3.32Å; H2291-H2293 PolarHBondContact O-N 2.79Å; H2291-H2293 PolarHBondContact O-ND1 3.47Å; H2291-H2293 VanDerWaalsContact O-ND1 3.13Å |
| 2294 | T | 72.7 | Confident | 83.8 | Confident | 76.6667 Ų | 76.6667 | 65.9 Ų | 65.9 | 47% | 0.47 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -149 | 134.7 | -169.9 | -48.7 | 0 | 0 | 0 | 0 | 109.1 | E2289 A2292 T2296 | E2289-T2294 PolarHBondContact O-N 3.07Å; A2292-T2294 PolarHBondContact O-N 3.03Å; A2292-T2294 PolarHBondContact O-OG1 3.22Å; T2294-T2296 HydrophobicContact CG2-CG2 4Å; T2294-T2296 PolarHBondContact O-N 3.19Å |
| 2295 | D | 67.9 | Low | 83.8 | Confident | 130.667 Ų | 130.667 | 66.9 Ų | 66.9 | 70% | 0.699 | 33% | 0.327 | S | S | * | . | trans | -71.8 | 118.8 | 168.2 | 177 | -1.5 | 0 | 0 | 0 | 109.1 | ||||
| 2296 | T | 64.6 | Low | 84 | Confident | 27.3333 Ų | 27.3333 | 68.1 Ų | 68.1 | 17% | 0.168 | 33% | 0.333 | C | S | . | . | trans | -135.9 | 126.9 | 177.4 | 61 | 0 | 0 | 0 | 0 | 111.8 | T2294 Y2298 V2302 | T2294-T2296 HydrophobicContact CG2-CG2 4Å; T2294-T2296 PolarHBondContact O-N 3.19Å; T2296-Y2298 PolarHBondContact O-N 3.17Å; T2296-Y2298 VanDerWaalsContact O-N 3.1Å; T2296-Y2298 PolarHBondContact OG1-O 3.04Å; T2296-V2302 HydrophobicContact CG2-CG2 3.48Å; T2296-V2302 VanDerWaalsContact CG2-CG2 3.49Å | ||
| 2297 | R | 74.6 | Confident | 84.4 | Confident | 181 Ų | 181 | 67 Ų | 67 | 68% | 0.683 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -52.5 | -33.9 | 177.8 | -174.3 | -178.5 | -140.4 | -176.1 | 3.4 | 113.7 | ||
| 2298 | Y | 82.2 | Confident | 84.7 | Confident | 56.3333 Ų | 56.3333 | 66.2 Ų | 66.2 | 22% | 0.221 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -113 | 93.7 | -180 | -57.2 | -74.7 | 0 | 0 | 0 | 108.5 | T2296 F2300 E2301 E2365 V2368 | T2296-Y2298 PolarHBondContact O-N 3.17Å; T2296-Y2298 VanDerWaalsContact O-N 3.1Å; T2296-Y2298 PolarHBondContact OG1-O 3.04Å; Y2298-F2300 PolarHBondContact O-N 3.03Å; Y2298-E2301 WeakPolarHBondContact CD2-OE2 3.45Å; Y2298-E2301 VanDerWaalsContact O-CB 3.23Å; Y2298-E2301 WeakPolarHBondContact O-CB 3.36Å; Y2298-E2301 PolarHBondContact O-N 3.01Å; Y2298-E2365 HydrophobicContact CD1-CG 4.33Å; Y2298-E2365 HydrophobicContact CE1-CB 4.01Å; Y2298-E2365 HydrophobicContact CE1-CG 3.58Å; Y2298-E2365 WeakPolarHBondContact CE1-OE2 3.42Å; Y2298-E2365 HydrophobicContact CE2-CG 4.42Å; Y2298-E2365 VanDerWaalsContact CZ-OE2 3.31Å; Y2298-E2365 WeakPolarHBondContact OH-CG 3.43Å; Y2298-E2365 PolarHBondContact OH-OE2 3.02Å; Y2298-V2368 HydrophobicContact CD1-CG2 3.85Å; Y2298-V2368 HydrophobicContact CD2-CG2 3.49Å; Y2298-V2368 VanDerWaalsContact CD2-CG2 3.44Å; Y2298-V2368 HydrophobicContact CE1-CG2 4.1Å; Y2298-V2368 HydrophobicContact CE2-CG2 3.78Å; Y2298-V2368 HydrophobicContact CG-CG2 3.54Å |
| 2299 | W | 85 | Confident | 84.9 | Confident | 52.6667 Ų | 52.6667 | 69.1 Ų | 69.1 | 20% | 0.199 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -29.8 | -163.2 | -40.7 | -40.5 | 0 | 0 | 0 | 115 | W2277 I2284 Q2285 L2288 F2303 | W2277-W2299 HydrophobicContact CH2-CH2 4.05Å; W2277-W2299 HydrophobicContact CH2-CZ3 4.15Å; W2277-W2299 HydrophobicContact CZ2-CH2 4.28Å; I2284-W2299 HydrophobicContact CB-CZ3 4.48Å; I2284-W2299 HydrophobicContact CG2-CE3 3.85Å; I2284-W2299 HydrophobicContact CG2-CZ3 3.96Å; Q2285-W2299 HydrophobicContact CB-CD2 4.38Å; Q2285-W2299 HydrophobicContact CB-CZ2 3.94Å; L2288-W2299 HydrophobicContact CB-CB 4.05Å; L2288-W2299 HydrophobicContact CD1-CB 3.43Å; L2288-W2299 VanDerWaalsContact CD1-CB 3.44Å; L2288-W2299 HydrophobicContact CD1-CE3 4.24Å; L2288-W2299 HydrophobicContact CD1-CG 4.29Å; L2288-W2299 HydrophobicContact CG-CB 4.38Å; W2299-F2303 WeakPolarHBondContact O-CD2 3.2Å; W2299-F2303 VanDerWaalsContact O-CE2 3.31Å; W2299-F2303 WeakPolarHBondContact O-CE2 3.37Å |
| 2300 | F | 90.2 | Very high | 85.2 | Confident | 110.667 Ų | 110.667 | 71.4 Ų | 71.4 | 49% | 0.485 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -9.4 | -179.7 | -71 | -79.5 | 0 | 0 | 0 | 114.6 | L2288 Y2298 V2302 F2303 V2304 | L2288-F2300 HydrophobicContact CD1-CD1 4.36Å; L2288-F2300 HydrophobicContact CD1-CD2 4.15Å; L2288-F2300 HydrophobicContact CD1-CE1 3.92Å; L2288-F2300 HydrophobicContact CD1-CE2 3.67Å; L2288-F2300 HydrophobicContact CD1-CG 4.48Å; L2288-F2300 HydrophobicContact CD1-CZ 3.55Å; L2288-F2300 HydrophobicContact CD2-CE1 4.15Å; L2288-F2300 HydrophobicContact CD2-CZ 4.45Å; Y2298-F2300 PolarHBondContact O-N 3.03Å; F2300-V2302 PolarHBondContact O-N 3.12Å; F2300-F2303 PolarHBondContact O-N 2.85Å; F2300-V2304 WeakPolarHBondContact O-CG2 3.23Å; F2300-V2304 PolarHBondContact O-N 3Å; F2300-V2304 VanDerWaalsContact O-N 3.09Å |
| 2301 | E | 89.9 | Confident | 85.6 | Confident | 32 Ų | 32 | 68.3 Ų | 68.3 | 15% | 0.15 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60 | -44.6 | -173.5 | -171.9 | -172.4 | 145.7 | 0 | 0 | 112.2 | Y2298 F2303 V2304 M2305 V2368 R2371 F2372 | Y2298-E2301 WeakPolarHBondContact CD2-OE2 3.45Å; Y2298-E2301 VanDerWaalsContact O-CB 3.23Å; Y2298-E2301 WeakPolarHBondContact O-CB 3.36Å; Y2298-E2301 PolarHBondContact O-N 3.01Å; E2301-F2303 VanDerWaalsContact C-N 3.33Å; E2301-F2303 PolarHBondContact O-N 3.22Å; E2301-V2304 PolarHBondContact O-N 3.24Å; E2301-M2305 HydrophobicContact CG-CG 4.44Å; E2301-M2305 WeakPolarHBondContact O-CB 3.34Å; E2301-M2305 VanDerWaalsContact O-CG 3.28Å; E2301-M2305 WeakPolarHBondContact O-CG 3.38Å; E2301-M2305 PolarHBondContact O-N 3.06Å; E2301-V2368 HydrophobicContact CB-CG1 4.35Å; E2301-V2368 HydrophobicContact CG-CG1 4.2Å; E2301-R2371 VanDerWaalsContact CD-NH1 3.28Å; E2301-R2371 WeakPolarHBondContact OE1-CD 3.29Å; E2301-R2371 IonicContact OE1-CZ 3.02Å; E2301-R2371 IonicContact OE1-NE 3.87Å; E2301-R2371 IonicContact OE1-NH1 3.07Å; E2301-R2371 PolarHBondContact OE1-NH1 3.01Å; E2301-R2371 IonicContact OE1-NH2 2.95Å; E2301-R2371 IonicContact OE2-CZ 3.39Å; E2301-R2371 IonicContact OE2-NH1 3.12Å; E2301-R2371 PolarHBondContact OE2-NH1 3.18Å; E2301-R2371 VanDerWaalsContact OE2-NH1 3.12Å; E2301-R2371 IonicContact OE2-NH2 3.15Å; E2301-R2371 PolarHBondContact OE2-NH2 2.9Å; E2301-F2372 HydrophobicContact CG-CE1 3.96Å; E2301-F2372 HydrophobicContact CG-CZ 4.32Å |
| 2302 | V | 90.5 | Very high | 85.9 | Confident | 46 Ų | 46 | 66.7 Ų | 66.7 | 28% | 0.279 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 179.8 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | A2292 T2296 F2300 M2305 Q2306 | A2292-V2302 HydrophobicContact CB-CB 4.39Å; A2292-V2302 HydrophobicContact CB-CG1 4.33Å; A2292-V2302 HydrophobicContact CB-CG2 4.38Å; T2296-V2302 HydrophobicContact CG2-CG2 3.48Å; T2296-V2302 VanDerWaalsContact CG2-CG2 3.49Å; F2300-V2302 PolarHBondContact O-N 3.12Å; V2302-M2305 PolarHBondContact O-N 3.1Å; V2302-Q2306 WeakPolarHBondContact O-CB 3.39Å; V2302-Q2306 PolarHBondContact O-N 3.11Å |
| 2303 | F | 91.6 | Very high | 86.3 | Confident | 58 Ų | 58 | 72.7 Ų | 72.7 | 25% | 0.254 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -72.2 | -37.4 | -176.8 | -55.4 | -77.7 | 0 | 0 | 0 | 112 | L2288 H2291 A2292 W2299 F2300 E2301 Q2306 W2307 | L2288-F2303 HydrophobicContact CB-CE2 4.28Å; L2288-F2303 HydrophobicContact CD2-CD2 4.42Å; L2288-F2303 HydrophobicContact CD2-CE2 3.78Å; L2288-F2303 HydrophobicContact CD2-CZ 4.2Å; L2288-F2303 HydrophobicContact CG-CE2 4.49Å; H2291-F2303 HydrophobicContact CB-CE1 3.98Å; H2291-F2303 HydrophobicContact CB-CZ 3.63Å; A2292-F2303 HydrophobicContact CB-CE1 4.5Å; A2292-F2303 HydrophobicContact CB-CE2 4.14Å; A2292-F2303 HydrophobicContact CB-CZ 3.78Å; W2299-F2303 WeakPolarHBondContact O-CD2 3.2Å; W2299-F2303 VanDerWaalsContact O-CE2 3.31Å; W2299-F2303 WeakPolarHBondContact O-CE2 3.37Å; F2300-F2303 PolarHBondContact O-N 2.85Å; E2301-F2303 VanDerWaalsContact C-N 3.33Å; E2301-F2303 PolarHBondContact O-N 3.22Å; F2303-Q2306 PolarHBondContact O-N 3.1Å; F2303-W2307 WeakPolarHBondContact O-CB 3.29Å; F2303-W2307 PolarHBondContact O-N 2.8Å |
| 2304 | V | 93 | Very high | 86.9 | Confident | 20.3333 Ų | 20.3333 | 68.5 Ų | 68.5 | 12% | 0.123 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.9 | -39.4 | 173 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | F2300 E2301 W2307 L2308 L2361 F2372 | F2300-V2304 WeakPolarHBondContact O-CG2 3.23Å; F2300-V2304 PolarHBondContact O-N 3Å; F2300-V2304 VanDerWaalsContact O-N 3.09Å; E2301-V2304 PolarHBondContact O-N 3.24Å; V2304-W2307 PolarHBondContact O-N 3.05Å; V2304-L2308 HydrophobicContact CG1-CD1 4.31Å; V2304-L2308 VanDerWaalsContact O-CG 3.32Å; V2304-L2308 WeakPolarHBondContact O-CG 3.18Å; V2304-L2308 PolarHBondContact O-N 2.88Å; V2304-L2361 HydrophobicContact CG1-CD1 3.91Å; V2304-L2361 HydrophobicContact CG2-CD1 3.89Å; V2304-F2372 HydrophobicContact CB-CD1 4.35Å; V2304-F2372 HydrophobicContact CB-CE1 3.64Å; V2304-F2372 HydrophobicContact CB-CE2 4.3Å; V2304-F2372 HydrophobicContact CB-CZ 3.61Å; V2304-F2372 HydrophobicContact CG1-CD1 3.75Å; V2304-F2372 HydrophobicContact CG1-CD2 4.11Å; V2304-F2372 HydrophobicContact CG1-CE1 3.53Å; V2304-F2372 HydrophobicContact CG1-CE2 3.89Å; V2304-F2372 HydrophobicContact CG1-CG 4.05Å; V2304-F2372 HydrophobicContact CG1-CZ 3.6Å; V2304-F2372 HydrophobicContact CG2-CE2 4.5Å; V2304-F2372 HydrophobicContact CG2-CZ 4.05Å |
| 2305 | M | 91.6 | Very high | 88 | Confident | 44 Ų | 44 | 64.9 Ų | 64.9 | 22% | 0.217 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.4 | -39.7 | 173.9 | -75.1 | -65.8 | -163.6 | 0 | 0 | 112.5 | E2301 V2302 L2308 N2309 R2371 F2372 R2375 | E2301-M2305 HydrophobicContact CG-CG 4.44Å; E2301-M2305 WeakPolarHBondContact O-CB 3.34Å; E2301-M2305 VanDerWaalsContact O-CG 3.28Å; E2301-M2305 WeakPolarHBondContact O-CG 3.38Å; E2301-M2305 PolarHBondContact O-N 3.06Å; V2302-M2305 PolarHBondContact O-N 3.1Å; M2305-L2308 PolarHBondContact O-N 3.06Å; M2305-L2308 HydrophobicContact SD-CD1 4.36Å; M2305-N2309 VanDerWaalsContact O-CG 3.26Å; M2305-N2309 PolarHBondContact O-N 3.19Å; M2305-N2309 VanDerWaalsContact O-N 3.08Å; M2305-N2309 PolarHBondContact O-ND2 3.14Å; M2305-N2309 VanDerWaalsContact O-ND2 3.12Å; M2305-R2371 HydrophobicContact CE-CB 3.73Å; M2305-F2372 HydrophobicContact CE-CD1 4.13Å; M2305-F2372 HydrophobicContact CE-CE1 4.38Å; M2305-F2372 HydrophobicContact CG-CD1 4.45Å; M2305-F2372 HydrophobicContact CG-CE1 4.29Å; M2305-F2372 HydrophobicContact SD-CD1 4.23Å; M2305-R2375 HydrophobicContact SD-CB 4.07Å; M2305-R2375 HydrophobicContact SD-CG 4.09Å |
| 2306 | Q | 91.3 | Very high | 89.2 | Confident | 99 Ų | 99 | 59.5 Ų | 59.5 | 46% | 0.463 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.2 | -48.2 | 172.4 | -178.8 | -178.9 | -22.6 | 0 | 0 | 111 | V2302 F2303 L2308 N2309 E2310 | V2302-Q2306 WeakPolarHBondContact O-CB 3.39Å; V2302-Q2306 PolarHBondContact O-N 3.11Å; F2303-Q2306 PolarHBondContact O-N 3.1Å; Q2306-L2308 VanDerWaalsContact C-N 3.3Å; Q2306-L2308 PolarHBondContact O-N 2.76Å; Q2306-N2309 WeakPolarHBondContact O-CA 3.33Å; Q2306-N2309 WeakPolarHBondContact O-CB 3.39Å; Q2306-N2309 PolarHBondContact O-N 3.09Å; Q2306-E2310 WeakPolarHBondContact CG-OE1 3.32Å; Q2306-E2310 PolarHBondContact NE2-OE1 3.11Å; Q2306-E2310 PolarHBondContact O-N 3.05Å |
| 2307 | W | 94.7 | Very high | 90.6 | Very high | 74.6667 Ų | 74.6667 | 62.2 Ų | 62.2 | 28% | 0.283 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.6 | -39.8 | 176.7 | 175.5 | 78.7 | 0 | 0 | 0 | 112.3 | F2303 V2304 N2309 E2310 N2311 C2354 V2357 I2358 | F2303-W2307 WeakPolarHBondContact O-CB 3.29Å; F2303-W2307 PolarHBondContact O-N 2.8Å; V2304-W2307 PolarHBondContact O-N 3.05Å; W2307-N2309 VanDerWaalsContact C-N 3.31Å; W2307-N2309 PolarHBondContact O-N 3.05Å; W2307-E2310 PolarHBondContact O-N 3.03Å; W2307-N2311 VanDerWaalsContact O-CB 3.26Å; W2307-N2311 WeakPolarHBondContact O-CB 3.35Å; W2307-N2311 PolarHBondContact O-N 3.36Å; W2307-C2354 HydrophobicContact CH2-CB 4.47Å; W2307-C2354 VanDerWaalsContact CH2-SG 3.58Å; W2307-V2357 HydrophobicContact CH2-CB 3.66Å; W2307-V2357 HydrophobicContact CH2-CG1 3.63Å; W2307-V2357 HydrophobicContact CH2-CG2 4.28Å; W2307-V2357 HydrophobicContact CZ2-CB 4.03Å; W2307-V2357 HydrophobicContact CZ2-CG1 3.83Å; W2307-V2357 HydrophobicContact CZ2-CG2 4.23Å; W2307-V2357 HydrophobicContact CZ3-CB 4.41Å; W2307-V2357 HydrophobicContact CZ3-CG1 4.09Å; W2307-I2358 HydrophobicContact CZ3-CG1 4.04Å |
| 2308 | L | 94.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.7 | -32.7 | 173.4 | -72.3 | 170.7 | 0 | 0 | 0 | 112.9 | V2304 M2305 Q2306 D2312 I2358 F2372 R2375 F2376 | V2304-L2308 HydrophobicContact CG1-CD1 4.31Å; V2304-L2308 VanDerWaalsContact O-CG 3.32Å; V2304-L2308 WeakPolarHBondContact O-CG 3.18Å; V2304-L2308 PolarHBondContact O-N 2.88Å; M2305-L2308 PolarHBondContact O-N 3.06Å; M2305-L2308 HydrophobicContact SD-CD1 4.36Å; Q2306-L2308 VanDerWaalsContact C-N 3.3Å; Q2306-L2308 PolarHBondContact O-N 2.76Å; L2308-D2312 PolarHBondContact O-N 3.09Å; L2308-I2358 HydrophobicContact CD2-CD1 3.78Å; L2308-I2358 HydrophobicContact CD2-CG1 4.21Å; L2308-F2372 HydrophobicContact CD1-CB 4.24Å; L2308-F2372 HydrophobicContact CD1-CD1 4.22Å; L2308-F2372 HydrophobicContact CD1-CG 4.49Å; L2308-R2375 HydrophobicContact CB-CG 3.82Å; L2308-R2375 HydrophobicContact CD1-CB 4.03Å; L2308-R2375 HydrophobicContact CD1-CG 3.84Å; L2308-R2375 HydrophobicContact CG-CG 4.41Å; L2308-F2376 HydrophobicContact CD2-CB 4.45Å |
| 2309 | N | 92.2 | Very high | 92.2 | Very high | 82.6667 Ų | 82.6667 | 54.4 Ų | 54.4 | 44% | 0.442 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -71.7 | -40.1 | 174 | -67.9 | -34.5 | 0 | 0 | 0 | 112.4 | M2305 Q2306 W2307 N2311 D2312 R2375 | M2305-N2309 VanDerWaalsContact O-CG 3.26Å; M2305-N2309 PolarHBondContact O-N 3.19Å; M2305-N2309 VanDerWaalsContact O-N 3.08Å; M2305-N2309 PolarHBondContact O-ND2 3.14Å; M2305-N2309 VanDerWaalsContact O-ND2 3.12Å; Q2306-N2309 WeakPolarHBondContact O-CA 3.33Å; Q2306-N2309 WeakPolarHBondContact O-CB 3.39Å; Q2306-N2309 PolarHBondContact O-N 3.09Å; W2307-N2309 VanDerWaalsContact C-N 3.31Å; W2307-N2309 PolarHBondContact O-N 3.05Å; N2309-N2311 VanDerWaalsContact C-N 3.29Å; N2309-N2311 PolarHBondContact O-N 2.85Å; N2309-D2312 VanDerWaalsContact O-CB 3.24Å; N2309-D2312 WeakPolarHBondContact O-CB 3.3Å; N2309-D2312 PolarHBondContact O-N 3.32Å; N2309-R2375 VanDerWaalsContact OD1-CZ 3.26Å; N2309-R2375 PolarHBondContact OD1-NE 3.21Å; N2309-R2375 PolarHBondContact OD1-NH2 3.12Å |
| 2310 | E | 92.5 | Very high | 92.6 | Very high | 100.333 Ų | 100.333 | 57.5 Ų | 57.5 | 47% | 0.469 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.1 | -38.1 | 174.3 | -68.3 | 170.8 | -169.9 | 0 | 0 | 111 | Q2306 W2307 D2312 E2313 V2314 | Q2306-E2310 WeakPolarHBondContact CG-OE1 3.32Å; Q2306-E2310 PolarHBondContact NE2-OE1 3.11Å; Q2306-E2310 PolarHBondContact O-N 3.05Å; W2307-E2310 PolarHBondContact O-N 3.03Å; E2310-D2312 VanDerWaalsContact C-N 3.3Å; E2310-D2312 PolarHBondContact O-N 3.22Å; E2310-E2313 PolarHBondContact O-N 2.77Å; E2310-E2313 VanDerWaalsContact O-N 3.1Å; E2310-V2314 PolarHBondContact O-N 3.13Å |
| 2311 | N | 92.6 | Very high | 92.8 | Very high | 12 Ų | 12 | 57.3 Ų | 57.3 | 6% | 0.064 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.6 | -28 | 177.4 | -174.3 | 61.3 | 0 | 0 | 0 | 113.5 | W2307 N2309 E2313 S2315 Q2350 C2354 | W2307-N2311 VanDerWaalsContact O-CB 3.26Å; W2307-N2311 WeakPolarHBondContact O-CB 3.35Å; W2307-N2311 PolarHBondContact O-N 3.36Å; N2309-N2311 VanDerWaalsContact C-N 3.29Å; N2309-N2311 PolarHBondContact O-N 2.85Å; N2311-E2313 VanDerWaalsContact C-N 3.29Å; N2311-E2313 PolarHBondContact O-N 2.87Å; N2311-S2315 PolarHBondContact ND2-OG 3.08Å; N2311-S2315 WeakPolarHBondContact O-CB 3.41Å; N2311-S2315 PolarHBondContact O-N 3.18Å; N2311-S2315 PolarHBondContact O-OG 2.83Å; N2311-S2315 PolarHBondContact OD1-OG 3.2Å; N2311-Q2350 PolarHBondContact OD1-NE2 3.28Å; N2311-C2354 VanDerWaalsContact CG-SG 3.59Å; N2311-C2354 PolarHBondContact ND2-SG 3.15Å; N2311-C2354 PolarHBondContact OD1-SG 3.21Å |
| 2312 | D | 90.8 | Very high | 93.1 | Very high | 13.3333 Ų | 13.3333 | 55.8 Ų | 55.8 | 7% | 0.071 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.4 | -42.8 | 171.2 | -98 | 24.6 | 0 | 0 | 0 | 111.5 | L2308 N2309 E2310 S2315 M2316 R2375 T2379 K2382 | L2308-D2312 PolarHBondContact O-N 3.09Å; N2309-D2312 VanDerWaalsContact O-CB 3.24Å; N2309-D2312 WeakPolarHBondContact O-CB 3.3Å; N2309-D2312 PolarHBondContact O-N 3.32Å; E2310-D2312 VanDerWaalsContact C-N 3.3Å; E2310-D2312 PolarHBondContact O-N 3.22Å; D2312-S2315 PolarHBondContact O-N 2.7Å; D2312-M2316 VanDerWaalsContact O-CB 3.3Å; D2312-M2316 WeakPolarHBondContact O-CB 3.43Å; D2312-M2316 WeakPolarHBondContact O-CG 3.21Å; D2312-M2316 PolarHBondContact O-N 3.05Å; D2312-M2316 VanDerWaalsContact O-N 3.1Å; D2312-R2375 IonicContact OD1-CZ 3.02Å; D2312-R2375 IonicContact OD1-NH1 3.16Å; D2312-R2375 PolarHBondContact OD1-NH1 2.97Å; D2312-R2375 IonicContact OD1-NH2 3.26Å; D2312-R2375 PolarHBondContact OD1-NH2 3.07Å; D2312-R2375 IonicContact OD2-CZ 2.76Å; D2312-R2375 IonicContact OD2-NH1 3.36Å; D2312-R2375 PolarHBondContact OD2-NH1 3.38Å; D2312-R2375 IonicContact OD2-NH2 3.34Å; D2312-R2375 PolarHBondContact OD2-NH2 3.16Å; D2312-T2379 WeakPolarHBondContact OD1-CA 3.38Å; D2312-T2379 VanDerWaalsContact OD1-CB 3.25Å; D2312-T2379 WeakPolarHBondContact OD1-CB 3.35Å; D2312-T2379 VanDerWaalsContact OD1-CG2 3.3Å; D2312-T2379 WeakPolarHBondContact OD1-CG2 3.33Å; D2312-T2379 PolarHBondContact OD1-OG1 3.04Å; D2312-K2382 WeakPolarHBondContact OD2-CD 3.27Å; D2312-K2382 IonicContact OD2-NZ 3.08Å; D2312-K2382 PolarHBondContact OD2-NZ 2.94Å |
| 2313 | E | 90.6 | Very high | 93.4 | Very high | 140.667 Ų | 140.667 | 53.7 Ų | 53.7 | 66% | 0.657 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -73.4 | -46.6 | -178.1 | -59.2 | -166.3 | 154.1 | 0 | 0 | 110.7 | E2310 N2311 S2315 M2316 D2317 | E2310-E2313 PolarHBondContact O-N 2.77Å; E2310-E2313 VanDerWaalsContact O-N 3.1Å; N2311-E2313 VanDerWaalsContact C-N 3.29Å; N2311-E2313 PolarHBondContact O-N 2.87Å; E2313-S2315 VanDerWaalsContact C-N 3.31Å; E2313-S2315 PolarHBondContact O-N 3.28Å; E2313-M2316 PolarHBondContact O-N 3.2Å; E2313-M2316 VanDerWaalsContact O-N 3.15Å; E2313-D2317 PolarHBondContact O-N 2.9Å |
| 2314 | V | 93.2 | Very high | 93.5 | Very high | 80.3333 Ų | 80.3333 | 54.7 Ų | 54.7 | 49% | 0.487 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -55.9 | -46.1 | 175.1 | 178.2 | 0 | 0 | 0 | 0 | 111.1 | E2310 M2316 D2317 F2318 | E2310-V2314 PolarHBondContact O-N 3.13Å; V2314-M2316 VanDerWaalsContact C-N 3.33Å; V2314-M2316 PolarHBondContact O-N 2.86Å; V2314-D2317 PolarHBondContact O-N 3.09Å; V2314-F2318 VanDerWaalsContact O-CB 3.28Å; V2314-F2318 WeakPolarHBondContact O-CB 3.26Å; V2314-F2318 PolarHBondContact O-N 3.28Å |
| 2315 | S | 94.8 | Very high | 93.5 | Very high | 1.66667 Ų | 1.66667 | 59.3 Ų | 59.3 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.2 | -32.9 | -179.1 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | N2311 D2312 E2313 L2319 Q2350 | N2311-S2315 PolarHBondContact ND2-OG 3.08Å; N2311-S2315 WeakPolarHBondContact O-CB 3.41Å; N2311-S2315 PolarHBondContact O-N 3.18Å; N2311-S2315 PolarHBondContact O-OG 2.83Å; N2311-S2315 PolarHBondContact OD1-OG 3.2Å; D2312-S2315 PolarHBondContact O-N 2.7Å; E2313-S2315 VanDerWaalsContact C-N 3.31Å; E2313-S2315 PolarHBondContact O-N 3.28Å; S2315-L2319 VanDerWaalsContact O-CB 3.28Å; S2315-L2319 WeakPolarHBondContact O-CB 3.4Å; S2315-L2319 PolarHBondContact O-N 3.02Å; S2315-Q2350 PolarHBondContact OG-NE2 2.78Å; S2315-Q2350 VanDerWaalsContact OG-NE2 3.11Å |
| 2316 | M | 93.6 | Very high | 93.7 | Very high | 17.3333 Ų | 17.3333 | 57.4 Ų | 57.4 | 9% | 0.085 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.6 | -38.8 | 176.1 | -75.2 | -73.8 | -66.8 | 0 | 0 | 112.8 | D2312 E2313 V2314 L2319 R2320 K2382 V2383 T2386 | D2312-M2316 VanDerWaalsContact O-CB 3.3Å; D2312-M2316 WeakPolarHBondContact O-CB 3.43Å; D2312-M2316 WeakPolarHBondContact O-CG 3.21Å; D2312-M2316 PolarHBondContact O-N 3.05Å; D2312-M2316 VanDerWaalsContact O-N 3.1Å; E2313-M2316 PolarHBondContact O-N 3.2Å; E2313-M2316 VanDerWaalsContact O-N 3.15Å; V2314-M2316 VanDerWaalsContact C-N 3.33Å; V2314-M2316 PolarHBondContact O-N 2.86Å; M2316-L2319 WeakPolarHBondContact O-CB 3.47Å; M2316-L2319 PolarHBondContact O-N 3.38Å; M2316-L2319 HydrophobicContact SD-CD2 4.25Å; M2316-R2320 VanDerWaalsContact O-CG 3.31Å; M2316-R2320 WeakPolarHBondContact O-CG 3.36Å; M2316-R2320 PolarHBondContact O-N 3.04Å; M2316-R2320 VanDerWaalsContact O-N 3.1Å; M2316-K2382 HydrophobicContact CG-CD 4.43Å; M2316-K2382 HydrophobicContact SD-CD 4.47Å; M2316-K2382 HydrophobicContact SD-CG 4.04Å; M2316-V2383 HydrophobicContact CG-CG2 4.41Å; M2316-V2383 HydrophobicContact SD-CG2 4.26Å; M2316-T2386 HydrophobicContact CE-CG2 3.74Å; M2316-T2386 WeakPolarHBondContact CE-OG1 3.29Å; M2316-T2386 HydrophobicContact SD-CG2 4.35Å |
| 2317 | D | 92.9 | Very high | 93.8 | Very high | 82.6667 Ų | 82.6667 | 55.3 Ų | 55.3 | 44% | 0.442 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -75.7 | -34.6 | 175.6 | -77.9 | -10.7 | 0 | 0 | 0 | 111.9 | E2313 V2314 L2319 R2320 N2321 | E2313-D2317 PolarHBondContact O-N 2.9Å; V2314-D2317 PolarHBondContact O-N 3.09Å; D2317-L2319 VanDerWaalsContact C-N 3.35Å; D2317-L2319 PolarHBondContact O-N 3.1Å; D2317-R2320 PolarHBondContact O-N 3Å; D2317-R2320 WeakPolarHBondContact OD1-CD 3.4Å; D2317-R2320 IonicContact OD1-CZ 2.74Å; D2317-R2320 IonicContact OD1-NH1 3.52Å; D2317-R2320 PolarHBondContact OD1-NH1 3.33Å; D2317-R2320 VanDerWaalsContact OD1-NH1 3.11Å; D2317-N2321 WeakPolarHBondContact O-CB 3.34Å; D2317-N2321 VanDerWaalsContact O-CG 3.26Å; D2317-N2321 PolarHBondContact O-N 3.45Å; D2317-N2321 PolarHBondContact O-ND2 3.16Å |
| 2318 | F | 93.9 | Very high | 93.7 | Very high | 73 Ų | 73 | 59.3 Ų | 59.3 | 32% | 0.32 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 170.4 | -165.3 | -83.4 | 0 | 0 | 0 | 111.2 | V2314 R2320 N2321 A2322 D2346 Q2350 | V2314-F2318 VanDerWaalsContact O-CB 3.28Å; V2314-F2318 WeakPolarHBondContact O-CB 3.26Å; V2314-F2318 PolarHBondContact O-N 3.28Å; F2318-R2320 PolarHBondContact O-N 3.14Å; F2318-N2321 PolarHBondContact O-N 2.95Å; F2318-A2322 VanDerWaalsContact O-CB 3.27Å; F2318-A2322 WeakPolarHBondContact O-CB 3.36Å; F2318-A2322 PolarHBondContact O-N 3.28Å; F2318-D2346 HydrophobicContact CE1-CB 3.92Å; F2318-D2346 VanDerWaalsContact CE1-O 3.3Å; F2318-D2346 WeakPolarHBondContact CE1-O 3.49Å; F2318-D2346 HydrophobicContact CZ-CB 4.44Å; F2318-Q2350 HydrophobicContact CB-CG 4.23Å; F2318-Q2350 HydrophobicContact CD1-CB 3.71Å; F2318-Q2350 HydrophobicContact CD1-CG 4.18Å; F2318-Q2350 HydrophobicContact CE1-CB 3.95Å; F2318-Q2350 HydrophobicContact CG-CB 4.12Å; F2318-Q2350 HydrophobicContact CG-CG 4.15Å |
| 2319 | L | 96.1 | Very high | 93.6 | Very high | 0.333333 Ų | 0.333333 | 63.5 Ų | 63.5 | 0% | 0.002 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -52.6 | -54 | 172.6 | 160.8 | 67.4 | 0 | 0 | 0 | 112.3 | S2315 M2316 D2317 N2321 A2322 Y2323 V2347 V2383 T2386 Y2387 | S2315-L2319 VanDerWaalsContact O-CB 3.28Å; S2315-L2319 WeakPolarHBondContact O-CB 3.4Å; S2315-L2319 PolarHBondContact O-N 3.02Å; M2316-L2319 WeakPolarHBondContact O-CB 3.47Å; M2316-L2319 PolarHBondContact O-N 3.38Å; M2316-L2319 HydrophobicContact SD-CD2 4.25Å; D2317-L2319 VanDerWaalsContact C-N 3.35Å; D2317-L2319 PolarHBondContact O-N 3.1Å; L2319-N2321 VanDerWaalsContact C-N 3.33Å; L2319-N2321 PolarHBondContact O-N 2.96Å; L2319-A2322 PolarHBondContact O-N 3.16Å; L2319-Y2323 WeakPolarHBondContact O-CB 3.36Å; L2319-Y2323 PolarHBondContact O-N 3.11Å; L2319-V2347 HydrophobicContact CB-CG2 4.31Å; L2319-V2347 HydrophobicContact CD1-CG2 3.69Å; L2319-V2383 HydrophobicContact CB-CG1 4.37Å; L2319-V2383 HydrophobicContact CD2-CG1 4.2Å; L2319-V2383 WeakPolarHBondContact CD2-O 3.36Å; L2319-T2386 HydrophobicContact CD2-CG2 3.72Å; L2319-Y2387 HydrophobicContact CD1-CD2 3.45Å; L2319-Y2387 VanDerWaalsContact CD1-CD2 3.49Å; L2319-Y2387 HydrophobicContact CD1-CE2 4.36Å; L2319-Y2387 HydrophobicContact CD1-CG 4.03Å |
| 2320 | R | 94.4 | Very high | 93.5 | Very high | 118.333 Ų | 118.333 | 60.5 Ų | 60.5 | 45% | 0.447 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.9 | -44.8 | -178 | -72.5 | 168.2 | -178 | 139.6 | -0.5 | 111.4 | M2316 D2317 F2318 Y2323 E2324 | M2316-R2320 VanDerWaalsContact O-CG 3.31Å; M2316-R2320 WeakPolarHBondContact O-CG 3.36Å; M2316-R2320 PolarHBondContact O-N 3.04Å; M2316-R2320 VanDerWaalsContact O-N 3.1Å; D2317-R2320 PolarHBondContact O-N 3Å; D2317-R2320 WeakPolarHBondContact OD1-CD 3.4Å; D2317-R2320 IonicContact OD1-CZ 2.74Å; D2317-R2320 IonicContact OD1-NH1 3.52Å; D2317-R2320 PolarHBondContact OD1-NH1 3.33Å; D2317-R2320 VanDerWaalsContact OD1-NH1 3.11Å; F2318-R2320 PolarHBondContact O-N 3.14Å; R2320-Y2323 PolarHBondContact O-N 3.19Å; R2320-E2324 VanDerWaalsContact O-CB 3.32Å; R2320-E2324 WeakPolarHBondContact O-CB 3.44Å; R2320-E2324 WeakPolarHBondContact O-CG 3.42Å; R2320-E2324 PolarHBondContact O-N 3.15Å |
| 2321 | N | 94.8 | Very high | 93.6 | Very high | 106.667 Ų | 106.667 | 55.7 Ų | 55.7 | 57% | 0.57 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -68.1 | -37.2 | 179.5 | -73.8 | -53.9 | 0 | 0 | 0 | 112.7 | D2317 F2318 L2319 R2325 | D2317-N2321 WeakPolarHBondContact O-CB 3.34Å; D2317-N2321 VanDerWaalsContact O-CG 3.26Å; D2317-N2321 PolarHBondContact O-N 3.45Å; D2317-N2321 PolarHBondContact O-ND2 3.16Å; F2318-N2321 PolarHBondContact O-N 2.95Å; L2319-N2321 VanDerWaalsContact C-N 3.33Å; L2319-N2321 PolarHBondContact O-N 2.96Å; N2321-R2325 VanDerWaalsContact O-CB 3.31Å; N2321-R2325 WeakPolarHBondContact O-CB 3.39Å; N2321-R2325 PolarHBondContact O-N 3.11Å |
| 2322 | A | 95.6 | Very high | 93.5 | Very high | 0.333333 Ų | 0.333333 | 60.6 Ų | 60.6 | 0% | 0.003 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.1 | -46.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F2318 L2319 R2325 D2326 D2346 V2347 | F2318-A2322 VanDerWaalsContact O-CB 3.27Å; F2318-A2322 WeakPolarHBondContact O-CB 3.36Å; F2318-A2322 PolarHBondContact O-N 3.28Å; L2319-A2322 PolarHBondContact O-N 3.16Å; A2322-R2325 WeakPolarHBondContact O-CB 3.4Å; A2322-R2325 PolarHBondContact O-N 3.09Å; A2322-D2326 WeakPolarHBondContact O-CB 3.37Å; A2322-D2326 PolarHBondContact O-N 3.09Å; A2322-D2326 VanDerWaalsContact O-N 3.11Å; A2322-D2346 HydrophobicContact CB-CB 3.69Å; A2322-V2347 HydrophobicContact CB-CG2 4.47Å |
| 2323 | Y | 96.1 | Very high | 93.4 | Very high | 2.33333 Ų | 2.33333 | 63.1 Ų | 63.1 | 1% | 0.009 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.7 | -45.8 | 178.7 | -170.4 | -90.5 | 0 | 0 | 0 | 112.4 | L2319 R2320 R2325 D2326 K2327 F2331 Y2387 I2390 V2391 D2394 | L2319-Y2323 WeakPolarHBondContact O-CB 3.36Å; L2319-Y2323 PolarHBondContact O-N 3.11Å; R2320-Y2323 PolarHBondContact O-N 3.19Å; Y2323-R2325 VanDerWaalsContact C-N 3.31Å; Y2323-R2325 PolarHBondContact O-N 2.96Å; Y2323-D2326 PolarHBondContact O-N 3.31Å; Y2323-K2327 HydrophobicContact CD1-CD 4.37Å; Y2323-K2327 HydrophobicContact CE1-CB 4.48Å; Y2323-K2327 HydrophobicContact CE1-CD 4.05Å; Y2323-K2327 VanDerWaalsContact O-CB 3.28Å; Y2323-K2327 WeakPolarHBondContact O-CB 3.41Å; Y2323-K2327 PolarHBondContact O-N 3.18Å; Y2323-F2331 HydrophobicContact CD2-CE1 4.35Å; Y2323-F2331 HydrophobicContact CE1-CE1 4.44Å; Y2323-F2331 HydrophobicContact CE1-CZ 4.12Å; Y2323-F2331 AromaticContact CE2-CE1 3.76Å; Y2323-F2331 HydrophobicContact CE2-CE1 3.76Å; Y2323-F2331 AromaticContact CE2-CZ 3.99Å; Y2323-F2331 HydrophobicContact CE2-CZ 4.07Å; Y2323-F2331 AromaticContact CZ-CE1 3.85Å; Y2323-F2331 AromaticContact CZ-CZ 3.65Å; Y2323-F2331 WeakPolarHBondContact OH-CZ 3.34Å; Y2323-Y2387 HydrophobicContact CD2-CD2 4.42Å; Y2323-Y2387 HydrophobicContact CD2-CE1 4.47Å; Y2323-Y2387 AromaticContact CD2-CE2 3.95Å; Y2323-Y2387 HydrophobicContact CD2-CE2 4Å; Y2323-Y2387 AromaticContact CD2-CZ 3.96Å; Y2323-Y2387 HydrophobicContact CE2-CE1 4.45Å; Y2323-I2390 HydrophobicContact CD1-CG2 3.51Å; Y2323-I2390 VanDerWaalsContact CD1-CG2 3.48Å; Y2323-I2390 HydrophobicContact CD2-CG2 4.4Å; Y2323-I2390 HydrophobicContact CE1-CG2 3.29Å; Y2323-I2390 HydrophobicContact CE2-CG2 4.37Å; Y2323-I2390 HydrophobicContact CG-CG2 4.14Å; Y2323-V2391 HydrophobicContact CE2-CG2 3.58Å; Y2323-D2394 WeakPolarHBondContact CE1-OD2 3.35Å; Y2323-D2394 PolarHBondContact OH-OD2 2.98Å |
| 2324 | E | 94.1 | Very high | 93.2 | Very high | 78 Ų | 78 | 58.2 Ų | 58.2 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68 | -21 | 177.5 | -82.9 | -68.9 | 140 | 0 | 0 | 113.5 | R2320 K2327 K2328 | R2320-E2324 VanDerWaalsContact O-CB 3.32Å; R2320-E2324 WeakPolarHBondContact O-CB 3.44Å; R2320-E2324 WeakPolarHBondContact O-CG 3.42Å; R2320-E2324 PolarHBondContact O-N 3.15Å; E2324-K2327 VanDerWaalsContact OE1-CD 3.32Å; E2324-K2327 WeakPolarHBondContact OE1-CD 3.33Å; E2324-K2327 WeakPolarHBondContact OE1-CE 3.36Å; E2324-K2327 IonicContact OE1-NZ 2.7Å; E2324-K2327 PolarHBondContact OE1-NZ 3.04Å; E2324-K2327 VanDerWaalsContact OE1-NZ 3.07Å; E2324-K2328 VanDerWaalsContact O-CD 3.28Å; E2324-K2328 WeakPolarHBondContact O-CD 3.42Å; E2324-K2328 WeakPolarHBondContact O-CE 3.38Å; E2324-K2328 VanDerWaalsContact O-CG 3.26Å; E2324-K2328 WeakPolarHBondContact O-CG 3.29Å; E2324-K2328 PolarHBondContact O-N 2.95Å; E2324-K2328 VanDerWaalsContact O-N 3.09Å; E2324-K2328 PolarHBondContact O-NZ 3.38Å; E2324-K2328 IonicContact OE2-NZ 3.13Å; E2324-K2328 PolarHBondContact OE2-NZ 3.4Å |
| 2325 | R | 94.5 | Very high | 92.9 | Very high | 118.667 Ų | 118.667 | 57.2 Ų | 57.2 | 45% | 0.448 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -72.6 | -54.8 | 168.7 | 178 | -176.6 | 26.6 | -102.9 | 4.2 | 110.2 | N2321 A2322 Y2323 K2327 K2328 D2329 D2346 | N2321-R2325 VanDerWaalsContact O-CB 3.31Å; N2321-R2325 WeakPolarHBondContact O-CB 3.39Å; N2321-R2325 PolarHBondContact O-N 3.11Å; A2322-R2325 WeakPolarHBondContact O-CB 3.4Å; A2322-R2325 PolarHBondContact O-N 3.09Å; Y2323-R2325 VanDerWaalsContact C-N 3.31Å; Y2323-R2325 PolarHBondContact O-N 2.96Å; R2325-K2327 VanDerWaalsContact C-N 3.28Å; R2325-K2327 PolarHBondContact O-N 3.28Å; R2325-K2328 WeakPolarHBondContact O-CA 3.27Å; R2325-K2328 WeakPolarHBondContact O-CB 3.27Å; R2325-K2328 PolarHBondContact O-N 3.19Å; R2325-K2328 VanDerWaalsContact O-N 3.07Å; R2325-D2329 PolarHBondContact O-N 2.79Å; R2325-D2346 IonicContact CZ-OD2 2.82Å; R2325-D2346 IonicContact NE-OD2 3.3Å; R2325-D2346 PolarHBondContact NE-OD2 2.92Å; R2325-D2346 VanDerWaalsContact NH2-CG 3.31Å; R2325-D2346 IonicContact NH2-OD1 3.72Å; R2325-D2346 IonicContact NH2-OD2 2.91Å; R2325-D2346 PolarHBondContact NH2-OD2 3.05Å |
| 2326 | D | 95.2 | Very high | 92.2 | Very high | 2.66667 Ų | 2.66667 | 65.2 Ų | 65.2 | 1% | 0.014 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.2 | -37.3 | -177.9 | -158.9 | 10.1 | 0 | 0 | 0 | 112.3 | A2322 Y2323 K2328 D2329 G2330 F2331 S2341 N2342 S2343 | A2322-D2326 WeakPolarHBondContact O-CB 3.37Å; A2322-D2326 PolarHBondContact O-N 3.09Å; A2322-D2326 VanDerWaalsContact O-N 3.11Å; Y2323-D2326 PolarHBondContact O-N 3.31Å; D2326-K2328 VanDerWaalsContact C-N 3.32Å; D2326-K2328 PolarHBondContact O-N 3.14Å; D2326-D2329 CarbonylContact O-C 3.37Å; D2326-D2329 PolarHBondContact O-N 3.15Å; D2326-G2330 PolarHBondContact O-N 3Å; D2326-G2330 VanDerWaalsContact O-N 3.1Å; D2326-F2331 HydrophobicContact CB-CD1 4.27Å; D2326-F2331 HydrophobicContact CB-CE1 4.4Å; D2326-F2331 PolarHBondContact O-N 3.09Å; D2326-S2341 VanDerWaalsContact CG-OG 3.29Å; D2326-S2341 VanDerWaalsContact OD1-CB 3.3Å; D2326-S2341 WeakPolarHBondContact OD1-CB 3.3Å; D2326-S2341 PolarHBondContact OD1-OG 3.06Å; D2326-S2341 VanDerWaalsContact OD2-CB 3.26Å; D2326-S2341 WeakPolarHBondContact OD2-CB 3.34Å; D2326-S2341 PolarHBondContact OD2-OG 2.95Å; D2326-N2342 PolarHBondContact OD2-N 3.28Å; D2326-S2343 WeakPolarHBondContact OD2-CB 3.27Å; D2326-S2343 PolarHBondContact OD2-N 3.19Å; D2326-S2343 PolarHBondContact OD2-OG 2.76Å |
| 2327 | K | 93.6 | Very high | 91.8 | Very high | 56.3333 Ų | 56.3333 | 72.4 Ų | 72.4 | 25% | 0.245 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.9 | -33.3 | 172.1 | -177.3 | 177.1 | 176.2 | 174.6 | 0 | 113.7 | Y2323 E2324 R2325 D2329 G2330 F2331 D2394 W2398 | Y2323-K2327 HydrophobicContact CD1-CD 4.37Å; Y2323-K2327 HydrophobicContact CE1-CB 4.48Å; Y2323-K2327 HydrophobicContact CE1-CD 4.05Å; Y2323-K2327 VanDerWaalsContact O-CB 3.28Å; Y2323-K2327 WeakPolarHBondContact O-CB 3.41Å; Y2323-K2327 PolarHBondContact O-N 3.18Å; E2324-K2327 VanDerWaalsContact OE1-CD 3.32Å; E2324-K2327 WeakPolarHBondContact OE1-CD 3.33Å; E2324-K2327 WeakPolarHBondContact OE1-CE 3.36Å; E2324-K2327 IonicContact OE1-NZ 2.7Å; E2324-K2327 PolarHBondContact OE1-NZ 3.04Å; E2324-K2327 VanDerWaalsContact OE1-NZ 3.07Å; R2325-K2327 VanDerWaalsContact C-N 3.28Å; R2325-K2327 PolarHBondContact O-N 3.28Å; K2327-D2329 VanDerWaalsContact C-N 3.34Å; K2327-G2330 PolarHBondContact O-N 3.28Å; K2327-F2331 HydrophobicContact CB-CE1 4.28Å; K2327-F2331 HydrophobicContact CB-CE2 4.09Å; K2327-F2331 HydrophobicContact CB-CZ 3.65Å; K2327-F2331 HydrophobicContact CG-CE2 4.14Å; K2327-F2331 HydrophobicContact CG-CZ 4.01Å; K2327-D2394 WeakPolarHBondContact CD-OD2 3.26Å; K2327-D2394 WeakPolarHBondContact CE-OD2 3.41Å; K2327-D2394 VanDerWaalsContact NZ-CG 3.32Å; K2327-D2394 IonicContact NZ-OD1 2.71Å; K2327-D2394 PolarHBondContact NZ-OD1 3.37Å; K2327-D2394 VanDerWaalsContact NZ-OD1 3.15Å; K2327-D2394 IonicContact NZ-OD2 3.12Å; K2327-D2394 PolarHBondContact NZ-OD2 3.34Å; K2327-W2398 HydrophobicContact CG-CZ2 4.41Å |
| 2328 | K | 92.4 | Very high | 91.6 | Very high | 156.667 Ų | 156.667 | 69 Ų | 69 | 68% | 0.681 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -76.5 | -33.1 | 174.6 | -71.2 | 173.1 | -174.6 | 120.7 | 0 | 111.9 | E2324 R2325 D2326 G2330 | E2324-K2328 VanDerWaalsContact O-CD 3.28Å; E2324-K2328 WeakPolarHBondContact O-CD 3.42Å; E2324-K2328 WeakPolarHBondContact O-CE 3.38Å; E2324-K2328 VanDerWaalsContact O-CG 3.26Å; E2324-K2328 WeakPolarHBondContact O-CG 3.29Å; E2324-K2328 PolarHBondContact O-N 2.95Å; E2324-K2328 VanDerWaalsContact O-N 3.09Å; E2324-K2328 PolarHBondContact O-NZ 3.38Å; E2324-K2328 IonicContact OE2-NZ 3.13Å; E2324-K2328 PolarHBondContact OE2-NZ 3.4Å; R2325-K2328 WeakPolarHBondContact O-CA 3.27Å; R2325-K2328 WeakPolarHBondContact O-CB 3.27Å; R2325-K2328 PolarHBondContact O-N 3.19Å; R2325-K2328 VanDerWaalsContact O-N 3.07Å; D2326-K2328 VanDerWaalsContact C-N 3.32Å; D2326-K2328 PolarHBondContact O-N 3.14Å; K2328-G2330 PolarHBondContact O-N 2.86Å |
| 2329 | D | 91.7 | Very high | 91.6 | Very high | 88.6667 Ų | 88.6667 | 67.6 Ų | 67.6 | 47% | 0.474 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -75 | -11.2 | 173.7 | -60.2 | -27.2 | 0 | 0 | 0 | 112.1 | R2325 D2326 K2327 Q2332 | R2325-D2329 PolarHBondContact O-N 2.79Å; D2326-D2329 CarbonylContact O-C 3.37Å; D2326-D2329 PolarHBondContact O-N 3.15Å; K2327-D2329 VanDerWaalsContact C-N 3.34Å; D2329-Q2332 WeakPolarHBondContact O-CG 3.37Å; D2329-Q2332 PolarHBondContact O-NE2 3.2Å |
| 2330 | G | 91 | Very high | 91.5 | Very high | 19.3333 Ų | 19.3333 | 69.3 Ų | 69.3 | 20% | 0.199 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | 23.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D2326 K2327 K2328 | D2326-G2330 PolarHBondContact O-N 3Å; D2326-G2330 VanDerWaalsContact O-N 3.1Å; K2327-G2330 PolarHBondContact O-N 3.28Å; K2328-G2330 PolarHBondContact O-N 2.86Å |
| 2331 | F | 93.2 | Very high | 91.5 | Very high | 0.666667 Ų | 0.666667 | 63.7 Ų | 63.7 | 0% | 0.003 | 31% | 0.311 | C | S | . | . | S | Bend | trans | 54.8 | 55.6 | -175.2 | -53.3 | -81.1 | 0 | 0 | 0 | 112.7 | Y2323 D2326 K2327 W2398 T2404 I2407 I2408 | Y2323-F2331 HydrophobicContact CD2-CE1 4.35Å; Y2323-F2331 HydrophobicContact CE1-CE1 4.44Å; Y2323-F2331 HydrophobicContact CE1-CZ 4.12Å; Y2323-F2331 AromaticContact CE2-CE1 3.76Å; Y2323-F2331 HydrophobicContact CE2-CE1 3.76Å; Y2323-F2331 AromaticContact CE2-CZ 3.99Å; Y2323-F2331 HydrophobicContact CE2-CZ 4.07Å; Y2323-F2331 AromaticContact CZ-CE1 3.85Å; Y2323-F2331 AromaticContact CZ-CZ 3.65Å; Y2323-F2331 WeakPolarHBondContact OH-CZ 3.34Å; D2326-F2331 HydrophobicContact CB-CD1 4.27Å; D2326-F2331 HydrophobicContact CB-CE1 4.4Å; D2326-F2331 PolarHBondContact O-N 3.09Å; K2327-F2331 HydrophobicContact CB-CE1 4.28Å; K2327-F2331 HydrophobicContact CB-CE2 4.09Å; K2327-F2331 HydrophobicContact CB-CZ 3.65Å; K2327-F2331 HydrophobicContact CG-CE2 4.14Å; K2327-F2331 HydrophobicContact CG-CZ 4.01Å; F2331-W2398 HydrophobicContact CD2-CZ2 4.37Å; F2331-W2398 HydrophobicContact CE2-CD2 4.41Å; F2331-W2398 AromaticContact CE2-CE2 3.74Å; F2331-W2398 AromaticContact CE2-CZ2 3.86Å; F2331-W2398 HydrophobicContact CE2-CZ2 3.86Å; F2331-W2398 AromaticContact CE2-NE1 3.73Å; F2331-T2404 HydrophobicContact CB-CG2 4.1Å; F2331-T2404 HydrophobicContact CD2-CG2 3.75Å; F2331-T2404 HydrophobicContact CG-CG2 4.34Å; F2331-I2407 HydrophobicContact CB-CG2 4.33Å; F2331-I2407 VanDerWaalsContact O-CD1 3.3Å; F2331-I2407 WeakPolarHBondContact O-CD1 3.35Å; F2331-I2408 HydrophobicContact CD1-CG1 4.35Å; F2331-I2408 HydrophobicContact CD2-CD1 3.95Å; F2331-I2408 HydrophobicContact CD2-CG1 4.23Å; F2331-I2408 HydrophobicContact CE2-CD1 3.98Å; F2331-I2408 HydrophobicContact CE2-CG1 4.48Å; F2331-I2408 HydrophobicContact CG-CD1 4.38Å; F2331-I2408 HydrophobicContact CG-CG1 4.14Å; F2331-I2408 HydrophobicContact CZ-CD1 4.43Å |
| 2332 | Q | 90.4 | Very high | 91.5 | Very high | 114.667 Ų | 114.667 | 61.9 Ų | 61.9 | 54% | 0.536 | 30% | 0.301 | S | S | . | . | trans | -65.5 | 145 | 173.4 | -58.1 | -55.3 | -43.7 | 0 | 0 | 110.8 | D2329 S2334 S2341 | D2329-Q2332 WeakPolarHBondContact O-CG 3.37Å; D2329-Q2332 PolarHBondContact O-NE2 3.2Å; Q2332-S2334 PolarHBondContact O-N 3.11Å; Q2332-S2341 VanDerWaalsContact O-CA 3.28Å; Q2332-S2341 WeakPolarHBondContact O-CA 3.32Å; Q2332-S2341 WeakPolarHBondContact O-CB 3.27Å | ||
| 2333 | R | 89.5 | Confident | 91.5 | Very high | 65.6667 Ų | 65.6667 | 61.9 Ų | 61.9 | 25% | 0.248 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 137.3 | 170.4 | -61.4 | -175.5 | -167.2 | -152.8 | 2.9 | 110.3 | S2335 A2338 E2403 I2407 | R2333-S2335 WeakPolarHBondContact CB-O 3.2Å; R2333-S2335 PolarHBondContact O-N 3.09Å; R2333-A2338 WeakPolarHBondContact CB-O 3.37Å; R2333-E2403 IonicContact CZ-OE1 3.89Å; R2333-E2403 IonicContact NE-OE1 2.83Å; R2333-E2403 PolarHBondContact NE-OE1 2.96Å; R2333-E2403 IonicContact NH2-OE1 3.78Å; R2333-E2403 PolarHBondContact NH2-OE1 2.7Å; R2333-I2407 HydrophobicContact CG-CD1 3.66Å; R2333-I2407 HydrophobicContact CG-CG1 4.14Å |
| 2334 | S | 85.3 | Confident | 91.5 | Very high | 38.3333 Ų | 38.3333 | 61.9 Ų | 61.9 | 27% | 0.268 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | -27 | 177.2 | -60.1 | 0 | 0 | 0 | 0 | 112.8 | Q2332 F2340 S2341 N2342 | Q2332-S2334 PolarHBondContact O-N 3.11Å; S2334-F2340 WeakPolarHBondContact CB-O 3.49Å; S2334-F2340 PolarHBondContact N-O 3.38Å; S2334-F2340 PolarHBondContact OG-O 3.33Å; S2334-S2341 VanDerWaalsContact OG-C 3.25Å; S2334-S2341 PolarHBondContact OG-O 3.13Å; S2334-N2342 WeakPolarHBondContact CA-OD1 3.31Å; S2334-N2342 VanDerWaalsContact CB-OD1 3.23Å; S2334-N2342 WeakPolarHBondContact CB-OD1 3.37Å; S2334-N2342 PolarHBondContact OG-N 3.1Å; S2334-N2342 PolarHBondContact OG-OD1 3.03Å |
| 2335 | S | 87.3 | Confident | 91.5 | Very high | 59.3333 Ų | 59.3333 | 61.2 Ų | 61.2 | 42% | 0.415 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 172.1 | 171.1 | 69.1 | 0 | 0 | 0 | 0 | 109.9 | R2333 H2337 A2338 | R2333-S2335 WeakPolarHBondContact CB-O 3.2Å; R2333-S2335 PolarHBondContact O-N 3.09Å; S2335-H2337 PolarHBondContact O-N 3.2Å; S2335-H2337 VanDerWaalsContact O-N 3.12Å; S2335-H2337 PolarHBondContact OG-N 3.31Å; S2335-A2338 PolarHBondContact O-N 3.21Å; S2335-A2338 VanDerWaalsContact O-N 3.14Å; S2335-A2338 VanDerWaalsContact O-O 3.09Å; S2335-A2338 VanDerWaalsContact OG-CB 3.23Å; S2335-A2338 WeakPolarHBondContact OG-CB 3.22Å; S2335-A2338 PolarHBondContact OG-N 3.23Å; S2335-A2338 VanDerWaalsContact OG-N 3.11Å |
| 2336 | E | 79.8 | Confident | 91.5 | Very high | 169.667 Ų | 169.667 | 57.5 Ų | 57.5 | 79% | 0.793 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -30.1 | 175.2 | -142.8 | 176.5 | -179.6 | 0 | 0 | 113.2 | ||
| 2337 | H | 85.4 | Confident | 91.5 | Very high | 168.667 Ų | 168.667 | 57.5 Ų | 57.5 | 78% | 0.781 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -14.7 | 179.3 | -53.4 | -36.2 | 0 | 0 | 0 | 113.8 | S2335 L2339 | S2335-H2337 PolarHBondContact O-N 3.2Å; S2335-H2337 VanDerWaalsContact O-N 3.12Å; S2335-H2337 PolarHBondContact OG-N 3.31Å; H2337-L2339 PolarHBondContact O-N 3.29Å |
| 2338 | A | 89.7 | Confident | 91.7 | Very high | 11 Ų | 11 | 55.1 Ų | 55.1 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 102.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | R2333 S2335 F2340 | R2333-A2338 WeakPolarHBondContact CB-O 3.37Å; S2335-A2338 PolarHBondContact O-N 3.21Å; S2335-A2338 VanDerWaalsContact O-N 3.14Å; S2335-A2338 VanDerWaalsContact O-O 3.09Å; S2335-A2338 VanDerWaalsContact OG-CB 3.23Å; S2335-A2338 WeakPolarHBondContact OG-CB 3.22Å; S2335-A2338 PolarHBondContact OG-N 3.23Å; S2335-A2338 VanDerWaalsContact OG-N 3.11Å; A2338-F2340 HydrophobicContact CB-CD1 4.39Å; A2338-F2340 HydrophobicContact CB-CE1 3.89Å; A2338-F2340 HydrophobicContact CB-CE2 4.13Å; A2338-F2340 HydrophobicContact CB-CZ 3.74Å; A2338-F2340 PolarHBondContact O-N 3.13Å |
| 2339 | L | 93.1 | Very high | 91.8 | Very high | 42.6667 Ų | 42.6667 | 50.7 Ų | 50.7 | 22% | 0.223 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 3 | -177.7 | -54.2 | 179 | 0 | 0 | 0 | 114.2 | H2337 N2410 E2514 | H2337-L2339 PolarHBondContact O-N 3.29Å; L2339-N2410 HydrophobicContact CB-CB 4.41Å; L2339-N2410 WeakPolarHBondContact CB-ND2 3.4Å; L2339-N2410 WeakPolarHBondContact O-CB 3.3Å; L2339-N2410 PolarHBondContact O-ND2 3.17Å; L2339-E2514 HydrophobicContact CD1-CB 4.38Å |
| 2340 | F | 94.4 | Very high | 91.9 | Very high | 37 Ų | 37 | 47.4 Ų | 47.4 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 161.9 | 179.4 | 56.1 | -94.5 | 0 | 0 | 0 | 110.3 | S2334 A2338 V2344 V2345 N2410 N2411 Q2414 | S2334-F2340 WeakPolarHBondContact CB-O 3.49Å; S2334-F2340 PolarHBondContact N-O 3.38Å; S2334-F2340 PolarHBondContact OG-O 3.33Å; A2338-F2340 HydrophobicContact CB-CD1 4.39Å; A2338-F2340 HydrophobicContact CB-CE1 3.89Å; A2338-F2340 HydrophobicContact CB-CE2 4.13Å; A2338-F2340 HydrophobicContact CB-CZ 3.74Å; A2338-F2340 PolarHBondContact O-N 3.13Å; F2340-V2344 HydrophobicContact CD2-CB 4.4Å; F2340-V2345 HydrophobicContact CD2-CG2 4.45Å; F2340-V2345 HydrophobicContact CE2-CG2 3.79Å; F2340-N2410 HydrophobicContact CB-CB 4.48Å; F2340-N2411 VanDerWaalsContact CA-OD1 3.23Å; F2340-N2411 WeakPolarHBondContact CA-OD1 3.43Å; F2340-N2411 VanDerWaalsContact CB-OD1 3.25Å; F2340-N2411 WeakPolarHBondContact CB-OD1 3.37Å; F2340-Q2414 HydrophobicContact CB-CB 4.09Å; F2340-Q2414 HydrophobicContact CB-CG 4.38Å; F2340-Q2414 HydrophobicContact CD1-CB 3.91Å; F2340-Q2414 HydrophobicContact CD1-CG 3.6Å; F2340-Q2414 HydrophobicContact CD2-CG 4.03Å; F2340-Q2414 HydrophobicContact CE1-CB 4.46Å; F2340-Q2414 VanDerWaalsContact CE1-CD 3.49Å; F2340-Q2414 HydrophobicContact CE1-CG 3.81Å; F2340-Q2414 HydrophobicContact CE2-CG 4.22Å; F2340-Q2414 HydrophobicContact CG-CB 3.95Å; F2340-Q2414 HydrophobicContact CG-CG 3.73Å; F2340-Q2414 HydrophobicContact CZ-CG 4.12Å |
| 2341 | S | 95 | Very high | 92.1 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 170.8 | -178 | 68.4 | 0 | 0 | 0 | 0 | 113.7 | D2326 Q2332 S2334 S2343 V2344 N2411 | D2326-S2341 VanDerWaalsContact CG-OG 3.29Å; D2326-S2341 VanDerWaalsContact OD1-CB 3.3Å; D2326-S2341 WeakPolarHBondContact OD1-CB 3.3Å; D2326-S2341 PolarHBondContact OD1-OG 3.06Å; D2326-S2341 VanDerWaalsContact OD2-CB 3.26Å; D2326-S2341 WeakPolarHBondContact OD2-CB 3.34Å; D2326-S2341 PolarHBondContact OD2-OG 2.95Å; Q2332-S2341 VanDerWaalsContact O-CA 3.28Å; Q2332-S2341 WeakPolarHBondContact O-CA 3.32Å; Q2332-S2341 WeakPolarHBondContact O-CB 3.27Å; S2334-S2341 VanDerWaalsContact OG-C 3.25Å; S2334-S2341 PolarHBondContact OG-O 3.13Å; S2341-S2343 VanDerWaalsContact C-N 3.34Å; S2341-S2343 PolarHBondContact O-N 2.83Å; S2341-V2344 PolarHBondContact O-N 2.96Å; S2341-N2411 PolarHBondContact N-OD1 3.23Å; S2341-N2411 PolarHBondContact OG-ND2 3.23Å; S2341-N2411 PolarHBondContact OG-OD1 3.33Å |
| 2342 | N | 93.9 | Very high | 92.2 | Very high | 69 Ų | 69 | 49.3 Ų | 49.3 | 37% | 0.369 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.2 | -27.8 | -163.4 | -69.4 | -41.7 | 0 | 0 | 0 | 114.7 | D2326 S2334 V2344 V2345 D2346 | D2326-N2342 PolarHBondContact OD2-N 3.28Å; S2334-N2342 WeakPolarHBondContact CA-OD1 3.31Å; S2334-N2342 VanDerWaalsContact CB-OD1 3.23Å; S2334-N2342 WeakPolarHBondContact CB-OD1 3.37Å; S2334-N2342 PolarHBondContact OG-N 3.1Å; S2334-N2342 PolarHBondContact OG-OD1 3.03Å; N2342-V2344 PolarHBondContact O-N 3.02Å; N2342-V2344 VanDerWaalsContact O-N 3.12Å; N2342-V2345 WeakPolarHBondContact O-CA 3.47Å; N2342-V2345 WeakPolarHBondContact O-CB 3.19Å; N2342-V2345 PolarHBondContact O-N 2.93Å; N2342-D2346 PolarHBondContact O-N 2.91Å |
| 2343 | S | 95.6 | Very high | 92.3 | Very high | 0.333333 Ų | 0.333333 | 48.9 Ų | 48.9 | 0% | 0.002 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.4 | -27.1 | -178.7 | 56.3 | 0 | 0 | 0 | 0 | 113.5 | D2326 S2341 V2347 Y2387 | D2326-S2343 WeakPolarHBondContact OD2-CB 3.27Å; D2326-S2343 PolarHBondContact OD2-N 3.19Å; D2326-S2343 PolarHBondContact OD2-OG 2.76Å; S2341-S2343 VanDerWaalsContact C-N 3.34Å; S2341-S2343 PolarHBondContact O-N 2.83Å; S2343-V2347 WeakPolarHBondContact O-CB 3.22Å; S2343-V2347 VanDerWaalsContact O-CG2 3.25Å; S2343-V2347 WeakPolarHBondContact O-CG2 3.27Å; S2343-V2347 PolarHBondContact O-N 3.02Å; S2343-V2347 VanDerWaalsContact O-N 3.08Å; S2343-Y2387 WeakPolarHBondContact OG-CE2 3.21Å; S2343-Y2387 PolarHBondContact OG-OH 2.89Å |
| 2344 | V | 95.6 | Very high | 92.5 | Very high | 1.66667 Ų | 1.66667 | 46 Ų | 46 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.2 | -40.4 | 174.3 | 178.5 | 0 | 0 | 0 | 0 | 111.4 | F2340 S2341 N2342 F2348 Y2387 N2411 Q2414 L2415 | F2340-V2344 HydrophobicContact CD2-CB 4.4Å; S2341-V2344 PolarHBondContact O-N 2.96Å; N2342-V2344 PolarHBondContact O-N 3.02Å; N2342-V2344 VanDerWaalsContact O-N 3.12Å; V2344-F2348 HydrophobicContact CG1-CD2 4.21Å; V2344-F2348 HydrophobicContact CG1-CE2 4.46Å; V2344-F2348 WeakPolarHBondContact O-CD2 3.3Å; V2344-F2348 PolarHBondContact O-N 3.04Å; V2344-F2348 VanDerWaalsContact O-N 3.14Å; V2344-Y2387 HydrophobicContact CG2-CE2 4.44Å; V2344-Y2387 WeakPolarHBondContact CG2-OH 3.37Å; V2344-N2411 HydrophobicContact CG2-CB 3.62Å; V2344-Q2414 HydrophobicContact CG1-CB 4.03Å; V2344-Q2414 HydrophobicContact CG1-CG 3.56Å; V2344-L2415 HydrophobicContact CB-CD2 4.42Å; V2344-L2415 HydrophobicContact CG1-CD2 3.9Å; V2344-L2415 HydrophobicContact CG2-CD2 4.04Å |
| 2345 | V | 94.5 | Very high | 92.9 | Very high | 65 Ų | 65 | 44.8 Ų | 44.8 | 39% | 0.394 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.3 | -48.5 | 177.4 | -175 | 0 | 0 | 0 | 0 | 109.7 | F2340 N2342 V2347 F2348 T2349 | F2340-V2345 HydrophobicContact CD2-CG2 4.45Å; F2340-V2345 HydrophobicContact CE2-CG2 3.79Å; N2342-V2345 WeakPolarHBondContact O-CA 3.47Å; N2342-V2345 WeakPolarHBondContact O-CB 3.19Å; N2342-V2345 PolarHBondContact O-N 2.93Å; V2345-V2347 PolarHBondContact O-N 3.02Å; V2345-F2348 PolarHBondContact O-N 3.31Å; V2345-T2349 WeakPolarHBondContact O-CB 3.37Å; V2345-T2349 PolarHBondContact O-N 3.22Å; V2345-T2349 PolarHBondContact O-OG1 2.94Å; V2345-T2349 VanDerWaalsContact O-OG1 3.04Å |
| 2346 | D | 94.9 | Very high | 93.2 | Very high | 39.3333 Ų | 39.3333 | 45.5 Ų | 45.5 | 21% | 0.21 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -53.1 | -53.6 | 176.7 | -79.2 | -9.1 | 0 | 0 | 0 | 111.3 | F2318 A2322 R2325 N2342 F2348 T2349 Q2350 | F2318-D2346 HydrophobicContact CE1-CB 3.92Å; F2318-D2346 VanDerWaalsContact CE1-O 3.3Å; F2318-D2346 WeakPolarHBondContact CE1-O 3.49Å; F2318-D2346 HydrophobicContact CZ-CB 4.44Å; A2322-D2346 HydrophobicContact CB-CB 3.69Å; R2325-D2346 IonicContact CZ-OD2 2.82Å; R2325-D2346 IonicContact NE-OD2 3.3Å; R2325-D2346 PolarHBondContact NE-OD2 2.92Å; R2325-D2346 VanDerWaalsContact NH2-CG 3.31Å; R2325-D2346 IonicContact NH2-OD1 3.72Å; R2325-D2346 IonicContact NH2-OD2 2.91Å; R2325-D2346 PolarHBondContact NH2-OD2 3.05Å; N2342-D2346 PolarHBondContact O-N 2.91Å; D2346-F2348 PolarHBondContact O-N 3.05Å; D2346-T2349 WeakPolarHBondContact O-CB 3.36Å; D2346-T2349 PolarHBondContact O-N 3.11Å; D2346-T2349 VanDerWaalsContact O-N 3.12Å; D2346-Q2350 PolarHBondContact O-N 2.97Å; D2346-Q2350 VanDerWaalsContact O-N 3.13Å |
| 2347 | V | 96.2 | Very high | 93.8 | Very high | 2.66667 Ų | 2.66667 | 40.3 Ų | 40.3 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.9 | -43.9 | -177.7 | 167.6 | 0 | 0 | 0 | 0 | 112.2 | L2319 A2322 S2343 V2345 T2349 Q2350 L2351 V2383 L2384 Y2387 | L2319-V2347 HydrophobicContact CB-CG2 4.31Å; L2319-V2347 HydrophobicContact CD1-CG2 3.69Å; A2322-V2347 HydrophobicContact CB-CG2 4.47Å; S2343-V2347 WeakPolarHBondContact O-CB 3.22Å; S2343-V2347 VanDerWaalsContact O-CG2 3.25Å; S2343-V2347 WeakPolarHBondContact O-CG2 3.27Å; S2343-V2347 PolarHBondContact O-N 3.02Å; S2343-V2347 VanDerWaalsContact O-N 3.08Å; V2345-V2347 PolarHBondContact O-N 3.02Å; V2347-T2349 VanDerWaalsContact C-N 3.31Å; V2347-T2349 PolarHBondContact O-N 3.21Å; V2347-Q2350 PolarHBondContact O-N 3.15Å; V2347-L2351 HydrophobicContact CG1-CD1 4.2Å; V2347-L2351 WeakPolarHBondContact O-CG 3.24Å; V2347-L2351 PolarHBondContact O-N 3.14Å; V2347-L2351 VanDerWaalsContact O-N 3.08Å; V2347-V2383 HydrophobicContact CG1-CG1 3.76Å; V2347-L2384 HydrophobicContact CG1-CD2 4.06Å; V2347-Y2387 HydrophobicContact CG2-CD2 4.17Å; V2347-Y2387 HydrophobicContact CG2-CE2 4.36Å |
| 2348 | F | 96 | Very high | 94.1 | Very high | 7 Ų | 7 | 32.8 Ų | 32.8 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -73.3 | -26.1 | 177 | -85.2 | -85.1 | 0 | 0 | 0 | 113.2 | V2344 V2345 D2346 L2351 N2352 L2384 L2415 Q2418 L2419 V2422 | V2344-F2348 HydrophobicContact CG1-CD2 4.21Å; V2344-F2348 HydrophobicContact CG1-CE2 4.46Å; V2344-F2348 WeakPolarHBondContact O-CD2 3.3Å; V2344-F2348 PolarHBondContact O-N 3.04Å; V2344-F2348 VanDerWaalsContact O-N 3.14Å; V2345-F2348 PolarHBondContact O-N 3.31Å; D2346-F2348 PolarHBondContact O-N 3.05Å; F2348-L2351 HydrophobicContact CE1-CD1 4.48Å; F2348-N2352 VanDerWaalsContact O-CB 3.3Å; F2348-N2352 WeakPolarHBondContact O-CB 3.42Å; F2348-N2352 VanDerWaalsContact O-CG 3.31Å; F2348-N2352 PolarHBondContact O-N 3.04Å; F2348-N2352 PolarHBondContact O-ND2 3.12Å; F2348-L2384 HydrophobicContact CE1-CD1 4.45Å; F2348-L2384 HydrophobicContact CE2-CD1 4.43Å; F2348-L2384 HydrophobicContact CE2-CD2 3.76Å; F2348-L2384 HydrophobicContact CZ-CD1 3.78Å; F2348-L2384 HydrophobicContact CZ-CD2 3.82Å; F2348-L2384 HydrophobicContact CZ-CG 4.4Å; F2348-L2415 HydrophobicContact CD2-CD2 4.42Å; F2348-L2415 HydrophobicContact CE2-CB 4.36Å; F2348-L2415 HydrophobicContact CE2-CD2 3.8Å; F2348-L2415 WeakPolarHBondContact CZ-O 3.33Å; F2348-Q2418 HydrophobicContact CD1-CB 3.56Å; F2348-Q2418 HydrophobicContact CD1-CG 4.49Å; F2348-Q2418 HydrophobicContact CD2-CB 3.69Å; F2348-Q2418 HydrophobicContact CD2-CG 4.2Å; F2348-Q2418 HydrophobicContact CE1-CB 3.44Å; F2348-Q2418 HydrophobicContact CE2-CB 3.59Å; F2348-Q2418 HydrophobicContact CE2-CG 4.28Å; F2348-Q2418 HydrophobicContact CG-CB 3.67Å; F2348-Q2418 HydrophobicContact CG-CG 4.29Å; F2348-Q2418 HydrophobicContact CZ-CB 3.45Å; F2348-L2419 HydrophobicContact CZ-CB 4.33Å; F2348-V2422 HydrophobicContact CD1-CG2 3.86Å; F2348-V2422 HydrophobicContact CE1-CG2 3.81Å |
| 2349 | T | 94.6 | Very high | 94.2 | Very high | 63.3333 Ų | 63.3333 | 38.5 Ų | 38.5 | 39% | 0.389 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.7 | -46.7 | 170.4 | -65.5 | 0 | 0 | 0 | 0 | 110.7 | V2345 D2346 V2347 N2352 Q2353 | V2345-T2349 WeakPolarHBondContact O-CB 3.37Å; V2345-T2349 PolarHBondContact O-N 3.22Å; V2345-T2349 PolarHBondContact O-OG1 2.94Å; V2345-T2349 VanDerWaalsContact O-OG1 3.04Å; D2346-T2349 WeakPolarHBondContact O-CB 3.36Å; D2346-T2349 PolarHBondContact O-N 3.11Å; D2346-T2349 VanDerWaalsContact O-N 3.12Å; V2347-T2349 VanDerWaalsContact C-N 3.31Å; V2347-T2349 PolarHBondContact O-N 3.21Å; T2349-N2352 PolarHBondContact O-N 3.38Å; T2349-Q2353 VanDerWaalsContact O-CG 3.3Å; T2349-Q2353 WeakPolarHBondContact O-CG 3.36Å; T2349-Q2353 PolarHBondContact O-N 2.96Å; T2349-Q2353 VanDerWaalsContact O-N 3.09Å |
| 2350 | Q | 94.5 | Very high | 94.2 | Very high | 20.6667 Ų | 20.6667 | 43 Ų | 43 | 10% | 0.097 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60 | -50.1 | 175 | 173.2 | 61.3 | 24.8 | 0 | 0 | 111.8 | N2311 S2315 F2318 D2346 V2347 N2352 Q2353 C2354 | N2311-Q2350 PolarHBondContact OD1-NE2 3.28Å; S2315-Q2350 PolarHBondContact OG-NE2 2.78Å; S2315-Q2350 VanDerWaalsContact OG-NE2 3.11Å; F2318-Q2350 HydrophobicContact CB-CG 4.23Å; F2318-Q2350 HydrophobicContact CD1-CB 3.71Å; F2318-Q2350 HydrophobicContact CD1-CG 4.18Å; F2318-Q2350 HydrophobicContact CE1-CB 3.95Å; F2318-Q2350 HydrophobicContact CG-CB 4.12Å; F2318-Q2350 HydrophobicContact CG-CG 4.15Å; D2346-Q2350 PolarHBondContact O-N 2.97Å; D2346-Q2350 VanDerWaalsContact O-N 3.13Å; V2347-Q2350 PolarHBondContact O-N 3.15Å; Q2350-N2352 PolarHBondContact O-N 2.96Å; Q2350-Q2353 PolarHBondContact O-N 3.27Å; Q2350-C2354 PolarHBondContact NE2-SG 2.89Å; Q2350-C2354 VanDerWaalsContact NE2-SG 3.4Å; Q2350-C2354 PolarHBondContact O-N 3.06Å; Q2350-C2354 VanDerWaalsContact O-N 3.11Å; Q2350-C2354 PolarHBondContact O-SG 3.48Å |
| 2351 | L | 95 | Very high | 94 | Very high | 0.666667 Ų | 0.666667 | 44.8 Ų | 44.8 | 0% | 0.003 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.5 | -41.3 | -178.8 | -68.2 | 175.8 | 0 | 0 | 0 | 112.6 | V2347 F2348 C2354 F2355 F2376 V2380 V2383 L2384 | V2347-L2351 HydrophobicContact CG1-CD1 4.2Å; V2347-L2351 WeakPolarHBondContact O-CG 3.24Å; V2347-L2351 PolarHBondContact O-N 3.14Å; V2347-L2351 VanDerWaalsContact O-N 3.08Å; F2348-L2351 HydrophobicContact CE1-CD1 4.48Å; L2351-C2354 WeakPolarHBondContact O-CB 3.41Å; L2351-C2354 PolarHBondContact O-N 3.34Å; L2351-F2355 PolarHBondContact O-N 3.37Å; L2351-F2376 WeakPolarHBondContact O-CZ 3.3Å; L2351-V2380 HydrophobicContact CD1-CG1 4.43Å; L2351-V2380 HydrophobicContact CD1-CG2 4.46Å; L2351-V2380 HydrophobicContact CD2-CG2 4.19Å; L2351-V2383 HydrophobicContact CD1-CG1 4.31Å; L2351-V2383 HydrophobicContact CD2-CB 4.41Å; L2351-V2383 HydrophobicContact CD2-CG1 4.39Å; L2351-V2383 HydrophobicContact CD2-CG2 4.36Å; L2351-L2384 HydrophobicContact CD1-CD2 4.17Å; L2351-L2384 HydrophobicContact CD1-CG 4.4Å |
| 2352 | N | 94.8 | Very high | 93.7 | Very high | 58.3333 Ų | 58.3333 | 51.9 Ų | 51.9 | 31% | 0.312 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.3 | -38.7 | 177.2 | -76.9 | -61.8 | 0 | 0 | 0 | 112.2 | F2348 T2349 Q2350 C2354 F2355 D2356 | F2348-N2352 VanDerWaalsContact O-CB 3.3Å; F2348-N2352 WeakPolarHBondContact O-CB 3.42Å; F2348-N2352 VanDerWaalsContact O-CG 3.31Å; F2348-N2352 PolarHBondContact O-N 3.04Å; F2348-N2352 PolarHBondContact O-ND2 3.12Å; T2349-N2352 PolarHBondContact O-N 3.38Å; Q2350-N2352 PolarHBondContact O-N 2.96Å; N2352-C2354 VanDerWaalsContact C-N 3.32Å; N2352-C2354 PolarHBondContact O-N 3.17Å; N2352-F2355 PolarHBondContact O-N 3.32Å; N2352-D2356 WeakPolarHBondContact O-CB 3.12Å; N2352-D2356 VanDerWaalsContact O-CG 3.29Å; N2352-D2356 PolarHBondContact O-N 3.03Å |
| 2353 | Q | 93.7 | Very high | 93.4 | Very high | 107 Ų | 107 | 50 Ų | 50 | 50% | 0.5 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60 | -40 | 174.3 | -74.8 | 175.7 | 17.2 | 0 | 0 | 112.1 | T2349 Q2350 D2356 V2357 | T2349-Q2353 VanDerWaalsContact O-CG 3.3Å; T2349-Q2353 WeakPolarHBondContact O-CG 3.36Å; T2349-Q2353 PolarHBondContact O-N 2.96Å; T2349-Q2353 VanDerWaalsContact O-N 3.09Å; Q2350-Q2353 PolarHBondContact O-N 3.27Å; Q2353-D2356 PolarHBondContact O-N 2.85Å; Q2353-V2357 WeakPolarHBondContact O-CG2 3.39Å; Q2353-V2357 PolarHBondContact O-N 3.03Å |
| 2354 | C | 93.2 | Very high | 92.9 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 3% | 0.027 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.6 | -45.3 | 174.9 | -86.2 | 0 | 0 | 0 | 0 | 111.5 | W2307 N2311 Q2350 L2351 N2352 D2356 V2357 I2358 F2376 | W2307-C2354 HydrophobicContact CH2-CB 4.47Å; W2307-C2354 VanDerWaalsContact CH2-SG 3.58Å; N2311-C2354 VanDerWaalsContact CG-SG 3.59Å; N2311-C2354 PolarHBondContact ND2-SG 3.15Å; N2311-C2354 PolarHBondContact OD1-SG 3.21Å; Q2350-C2354 PolarHBondContact NE2-SG 2.89Å; Q2350-C2354 VanDerWaalsContact NE2-SG 3.4Å; Q2350-C2354 PolarHBondContact O-N 3.06Å; Q2350-C2354 VanDerWaalsContact O-N 3.11Å; Q2350-C2354 PolarHBondContact O-SG 3.48Å; L2351-C2354 WeakPolarHBondContact O-CB 3.41Å; L2351-C2354 PolarHBondContact O-N 3.34Å; N2352-C2354 VanDerWaalsContact C-N 3.32Å; N2352-C2354 PolarHBondContact O-N 3.17Å; C2354-D2356 VanDerWaalsContact C-N 3.27Å; C2354-D2356 PolarHBondContact O-N 3.12Å; C2354-V2357 WeakPolarHBondContact O-CB 3.46Å; C2354-V2357 PolarHBondContact O-N 3.21Å; C2354-V2357 VanDerWaalsContact O-N 3.12Å; C2354-I2358 PolarHBondContact O-N 3.32Å; C2354-F2376 HydrophobicContact CB-CD2 4.48Å; C2354-F2376 HydrophobicContact CB-CE2 3.85Å |
| 2355 | F | 93.6 | Very high | 92.5 | Very high | 13 Ų | 13 | 56.4 Ų | 56.4 | 6% | 0.057 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 176.7 | 179.7 | -113.4 | 0 | 0 | 0 | 112.6 | L2351 N2352 V2357 I2358 K2359 L2373 F2376 A2425 M2426 | L2351-F2355 PolarHBondContact O-N 3.37Å; N2352-F2355 PolarHBondContact O-N 3.32Å; F2355-V2357 VanDerWaalsContact C-N 3.26Å; F2355-V2357 PolarHBondContact O-N 3.12Å; F2355-I2358 WeakPolarHBondContact O-CB 3.4Å; F2355-I2358 PolarHBondContact O-N 3.29Å; F2355-I2358 VanDerWaalsContact O-N 3.12Å; F2355-K2359 HydrophobicContact CE1-CD 4.07Å; F2355-K2359 HydrophobicContact CZ-CB 4.48Å; F2355-K2359 HydrophobicContact CZ-CD 4.29Å; F2355-K2359 WeakPolarHBondContact O-CB 3.43Å; F2355-K2359 PolarHBondContact O-N 3.17Å; F2355-L2373 HydrophobicContact CE2-CD2 3.88Å; F2355-F2376 HydrophobicContact CB-CE1 3.81Å; F2355-F2376 HydrophobicContact CB-CE2 4.49Å; F2355-F2376 HydrophobicContact CB-CZ 3.74Å; F2355-F2376 HydrophobicContact CD2-CD1 4.19Å; F2355-F2376 AromaticContact CD2-CE1 3.93Å; F2355-F2376 HydrophobicContact CD2-CE1 3.93Å; F2355-F2376 HydrophobicContact CG-CE1 4.2Å; F2355-A2425 HydrophobicContact CD1-CB 4.46Å; F2355-A2425 HydrophobicContact CE1-CB 3.9Å; F2355-A2425 WeakPolarHBondContact CE1-O 3.32Å; F2355-A2425 HydrophobicContact CZ-CB 4.44Å; F2355-A2425 WeakPolarHBondContact CZ-O 3.35Å; F2355-M2426 HydrophobicContact CD2-CG 3.91Å; F2355-M2426 HydrophobicContact CE2-CB 4.25Å; F2355-M2426 HydrophobicContact CE2-CG 3.59Å; F2355-M2426 HydrophobicContact CZ-CB 4.49Å; F2355-M2426 HydrophobicContact CZ-CG 4.15Å |
| 2356 | D | 93.5 | Very high | 92.2 | Very high | 74 Ų | 74 | 56.7 Ų | 56.7 | 40% | 0.396 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.2 | -32.9 | 178.5 | -93.7 | -8.5 | 0 | 0 | 0 | 112.6 | N2352 Q2353 C2354 K2359 K2360 | N2352-D2356 WeakPolarHBondContact O-CB 3.12Å; N2352-D2356 VanDerWaalsContact O-CG 3.29Å; N2352-D2356 PolarHBondContact O-N 3.03Å; Q2353-D2356 PolarHBondContact O-N 2.85Å; C2354-D2356 VanDerWaalsContact C-N 3.27Å; C2354-D2356 PolarHBondContact O-N 3.12Å; D2356-K2359 PolarHBondContact O-N 3.4Å; D2356-K2360 VanDerWaalsContact CG-NZ 3.35Å; D2356-K2360 WeakPolarHBondContact O-CB 3.41Å; D2356-K2360 WeakPolarHBondContact O-CD 3.22Å; D2356-K2360 WeakPolarHBondContact O-CE 3.21Å; D2356-K2360 VanDerWaalsContact O-CG 3.25Å; D2356-K2360 WeakPolarHBondContact O-CG 3.32Å; D2356-K2360 PolarHBondContact O-N 2.85Å; D2356-K2360 VanDerWaalsContact O-N 3.15Å; D2356-K2360 IonicContact OD2-NZ 3.38Å; D2356-K2360 PolarHBondContact OD2-NZ 3.15Å |
| 2357 | V | 93.2 | Very high | 91.9 | Very high | 62 Ų | 62 | 56.9 Ų | 56.9 | 38% | 0.376 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.1 | -48.9 | 172.8 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | W2307 Q2353 C2354 F2355 K2359 K2360 L2361 | W2307-V2357 HydrophobicContact CH2-CB 3.66Å; W2307-V2357 HydrophobicContact CH2-CG1 3.63Å; W2307-V2357 HydrophobicContact CH2-CG2 4.28Å; W2307-V2357 HydrophobicContact CZ2-CB 4.03Å; W2307-V2357 HydrophobicContact CZ2-CG1 3.83Å; W2307-V2357 HydrophobicContact CZ2-CG2 4.23Å; W2307-V2357 HydrophobicContact CZ3-CB 4.41Å; W2307-V2357 HydrophobicContact CZ3-CG1 4.09Å; Q2353-V2357 WeakPolarHBondContact O-CG2 3.39Å; Q2353-V2357 PolarHBondContact O-N 3.03Å; C2354-V2357 WeakPolarHBondContact O-CB 3.46Å; C2354-V2357 PolarHBondContact O-N 3.21Å; C2354-V2357 VanDerWaalsContact O-N 3.12Å; F2355-V2357 VanDerWaalsContact C-N 3.26Å; F2355-V2357 PolarHBondContact O-N 3.12Å; V2357-K2359 VanDerWaalsContact C-N 3.27Å; V2357-K2359 PolarHBondContact O-N 3.17Å; V2357-K2360 PolarHBondContact O-N 3.31Å; V2357-K2360 VanDerWaalsContact O-N 3.14Å; V2357-L2361 WeakPolarHBondContact O-CG 3.36Å; V2357-L2361 PolarHBondContact O-N 3.04Å |
| 2358 | I | 92 | Very high | 91.6 | Very high | 10.6667 Ų | 10.6667 | 56.9 Ų | 56.9 | 6% | 0.055 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.8 | -43.9 | 177.7 | -56.1 | 168.2 | 0 | 0 | 0 | 110.3 | W2307 L2308 C2354 F2355 K2360 L2361 F2372 F2376 | W2307-I2358 HydrophobicContact CZ3-CG1 4.04Å; L2308-I2358 HydrophobicContact CD2-CD1 3.78Å; L2308-I2358 HydrophobicContact CD2-CG1 4.21Å; C2354-I2358 PolarHBondContact O-N 3.32Å; F2355-I2358 WeakPolarHBondContact O-CB 3.4Å; F2355-I2358 PolarHBondContact O-N 3.29Å; F2355-I2358 VanDerWaalsContact O-N 3.12Å; I2358-K2360 VanDerWaalsContact C-N 3.33Å; I2358-K2360 PolarHBondContact O-N 3.12Å; I2358-L2361 WeakPolarHBondContact O-CB 3.28Å; I2358-L2361 PolarHBondContact O-N 3.09Å; I2358-L2361 VanDerWaalsContact O-N 3.16Å; I2358-F2372 HydrophobicContact CG2-CB 4.12Å; I2358-F2376 HydrophobicContact CD1-CB 3.67Å; I2358-F2376 HydrophobicContact CD1-CD1 4.27Å; I2358-F2376 HydrophobicContact CD1-CD2 3.91Å; I2358-F2376 HydrophobicContact CD1-CG 3.68Å |
| 2359 | K | 90.6 | Very high | 91.3 | Very high | 129.667 Ų | 129.667 | 60.8 Ų | 60.8 | 56% | 0.564 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.2 | -39.3 | 179.1 | -171.9 | 173.6 | -179.2 | 174.3 | 0 | 112.5 | F2355 D2356 V2357 L2361 E2362 | F2355-K2359 HydrophobicContact CE1-CD 4.07Å; F2355-K2359 HydrophobicContact CZ-CB 4.48Å; F2355-K2359 HydrophobicContact CZ-CD 4.29Å; F2355-K2359 WeakPolarHBondContact O-CB 3.43Å; F2355-K2359 PolarHBondContact O-N 3.17Å; D2356-K2359 PolarHBondContact O-N 3.4Å; V2357-K2359 VanDerWaalsContact C-N 3.27Å; V2357-K2359 PolarHBondContact O-N 3.17Å; K2359-L2361 PolarHBondContact O-N 3.15Å; K2359-E2362 PolarHBondContact O-N 2.97Å |
| 2360 | K | 92.9 | Very high | 91.1 | Very high | 138.667 Ų | 138.667 | 62.1 Ų | 62.1 | 60% | 0.603 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -71.3 | -9.7 | 177.5 | -74.8 | 170.4 | -174.1 | 175.5 | 0 | 114.2 | D1679 D2356 V2357 I2358 E2362 | D1679-K2360 IonicContact OD2-NZ 2.83Å; D2356-K2360 VanDerWaalsContact CG-NZ 3.35Å; D2356-K2360 WeakPolarHBondContact O-CB 3.41Å; D2356-K2360 WeakPolarHBondContact O-CD 3.22Å; D2356-K2360 WeakPolarHBondContact O-CE 3.21Å; D2356-K2360 VanDerWaalsContact O-CG 3.25Å; D2356-K2360 WeakPolarHBondContact O-CG 3.32Å; D2356-K2360 PolarHBondContact O-N 2.85Å; D2356-K2360 VanDerWaalsContact O-N 3.15Å; D2356-K2360 IonicContact OD2-NZ 3.38Å; D2356-K2360 PolarHBondContact OD2-NZ 3.15Å; V2357-K2360 PolarHBondContact O-N 3.31Å; V2357-K2360 VanDerWaalsContact O-N 3.14Å; I2358-K2360 VanDerWaalsContact C-N 3.33Å; I2358-K2360 PolarHBondContact O-N 3.12Å; K2360-E2362 VanDerWaalsContact C-N 3.29Å; K2360-E2362 PolarHBondContact O-N 2.87Å |
| 2361 | L | 90.5 | Very high | 90.9 | Very high | 73.3333 Ų | 73.3333 | 65.8 Ų | 65.8 | 38% | 0.384 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -16.5 | 171.4 | -62.8 | 176.2 | 0 | 0 | 0 | 113 | V2304 V2357 I2358 K2359 C2363 F2372 | V2304-L2361 HydrophobicContact CG1-CD1 3.91Å; V2304-L2361 HydrophobicContact CG2-CD1 3.89Å; V2357-L2361 WeakPolarHBondContact O-CG 3.36Å; V2357-L2361 PolarHBondContact O-N 3.04Å; I2358-L2361 WeakPolarHBondContact O-CB 3.28Å; I2358-L2361 PolarHBondContact O-N 3.09Å; I2358-L2361 VanDerWaalsContact O-N 3.16Å; K2359-L2361 PolarHBondContact O-N 3.15Å; L2361-C2363 PolarHBondContact O-N 3.17Å; L2361-C2363 VanDerWaalsContact O-N 3.11Å; L2361-F2372 HydrophobicContact CD1-CE2 4.41Å |
| 2362 | E | 89.7 | Confident | 90.8 | Very high | 149.667 Ų | 149.667 | 66.1 Ų | 66.1 | 70% | 0.699 | 33% | 0.334 | S | S | * | . | trans | 42.1 | 43.9 | 178.7 | -58.2 | -173 | 156.8 | 0 | 0 | 113.2 | K2359 K2360 P2364 | K2359-E2362 PolarHBondContact O-N 2.97Å; K2360-E2362 VanDerWaalsContact C-N 3.29Å; K2360-E2362 PolarHBondContact O-N 2.87Å; E2362-P2364 WeakPolarHBondContact O-CD 3.38Å; E2362-P2364 VanDerWaalsContact O-N 3.16Å | ||
| 2363 | C | 85.7 | Confident | 90.8 | Very high | 29.3333 Ų | 29.3333 | 64 Ų | 64 | 20% | 0.198 | 32% | 0.322 | C | S | . | . | trans | -61 | 120.3 | -168.7 | -170.5 | 0 | 0 | 0 | 0 | 111.5 | L2361 E2365 Q2369 | L2361-C2363 PolarHBondContact O-N 3.17Å; L2361-C2363 VanDerWaalsContact O-N 3.11Å; C2363-E2365 VanDerWaalsContact C-N 3.26Å; C2363-E2365 PolarHBondContact O-N 2.75Å; C2363-Q2369 HydrophobicContact CB-CB 4.38Å | ||
| 2364 | P | 86.5 | Confident | 90.7 | Very high | 94 Ų | 94 | 60 Ų | 60 | 61% | 0.61 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -80.9 | -9.4 | -172.7 | 32 | -36.5 | 0 | 0 | 0 | 114.1 | E2362 P2366 | E2362-P2364 WeakPolarHBondContact O-CD 3.38Å; E2362-P2364 VanDerWaalsContact O-N 3.16Å; P2364-P2366 WeakPolarHBondContact O-CD 3.27Å |
| 2365 | E | 87.4 | Confident | 90.7 | Very high | 42.3333 Ų | 42.3333 | 61.6 Ų | 61.6 | 20% | 0.198 | 31% | 0.31 | C | S | . | . | trans | -100.1 | 109.4 | 177.6 | 173.7 | 72.2 | -122.2 | 0 | 0 | 109.5 | R1603 Y2298 C2363 S2367 V2368 Q2369 | R1603-E2365 IonicContact CZ-OE1 2.64Å; R1603-E2365 IonicContact NH1-OE1 3.7Å; R1603-E2365 PolarHBondContact NH1-OE1 3.42Å; R1603-E2365 IonicContact NH2-OE1 2.8Å; R1603-E2365 PolarHBondContact NH2-OE1 2.84Å; R1603-E2365 IonicContact NH2-OE2 2.64Å; R1603-E2365 PolarHBondContact NH2-OE2 2.87Å; Y2298-E2365 HydrophobicContact CD1-CG 4.33Å; Y2298-E2365 HydrophobicContact CE1-CB 4.01Å; Y2298-E2365 HydrophobicContact CE1-CG 3.58Å; Y2298-E2365 WeakPolarHBondContact CE1-OE2 3.42Å; Y2298-E2365 HydrophobicContact CE2-CG 4.42Å; Y2298-E2365 VanDerWaalsContact CZ-OE2 3.31Å; Y2298-E2365 WeakPolarHBondContact OH-CG 3.43Å; Y2298-E2365 PolarHBondContact OH-OE2 3.02Å; C2363-E2365 VanDerWaalsContact C-N 3.26Å; C2363-E2365 PolarHBondContact O-N 2.75Å; E2365-S2367 VanDerWaalsContact C-N 3.27Å; E2365-S2367 VanDerWaalsContact CG-OG 3.28Å; E2365-S2367 WeakPolarHBondContact CG-OG 3.39Å; E2365-S2367 PolarHBondContact O-N 2.82Å; E2365-S2367 WeakPolarHBondContact OE1-CB 3.34Å; E2365-S2367 PolarHBondContact OE1-N 3.02Å; E2365-S2367 PolarHBondContact OE1-OG 2.99Å; E2365-V2368 HydrophobicContact CB-CB 4.29Å; E2365-V2368 HydrophobicContact CB-CG2 4.16Å; E2365-V2368 HydrophobicContact CG-CB 4.12Å; E2365-V2368 HydrophobicContact CG-CG2 3.67Å; E2365-V2368 VanDerWaalsContact CG-CG2 3.49Å; E2365-V2368 PolarHBondContact O-N 3.1Å; E2365-V2368 VanDerWaalsContact O-N 3.1Å; E2365-Q2369 PolarHBondContact O-N 3.09Å; E2365-Q2369 VanDerWaalsContact O-N 3.09Å | ||
| 2366 | P | 87.3 | Confident | 90.7 | Very high | 70.3333 Ų | 70.3333 | 61 Ų | 61 | 46% | 0.457 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.8 | -37.8 | -176.9 | -25.2 | 34.9 | 0 | 0 | 0 | 112.8 | P2364 V2368 Q2369 E2370 | P2364-P2366 WeakPolarHBondContact O-CD 3.27Å; P2366-V2368 VanDerWaalsContact C-N 3.28Å; P2366-V2368 PolarHBondContact O-N 3.12Å; P2366-Q2369 PolarHBondContact O-N 2.98Å; P2366-Q2369 VanDerWaalsContact O-N 3.15Å; P2366-E2370 WeakPolarHBondContact O-CB 3.47Å; P2366-E2370 WeakPolarHBondContact O-CG 3.47Å; P2366-E2370 PolarHBondContact O-N 3.14Å |
| 2367 | S | 88.3 | Confident | 90.8 | Very high | 43.3333 Ų | 43.3333 | 57.5 Ų | 57.5 | 30% | 0.303 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.7 | -22.9 | -179 | 67.5 | 0 | 0 | 0 | 0 | 113.9 | E2365 R2371 | E2365-S2367 VanDerWaalsContact C-N 3.27Å; E2365-S2367 VanDerWaalsContact CG-OG 3.28Å; E2365-S2367 WeakPolarHBondContact CG-OG 3.39Å; E2365-S2367 PolarHBondContact O-N 2.82Å; E2365-S2367 WeakPolarHBondContact OE1-CB 3.34Å; E2365-S2367 PolarHBondContact OE1-N 3.02Å; E2365-S2367 PolarHBondContact OE1-OG 2.99Å; S2367-R2371 WeakPolarHBondContact O-CG 3.38Å; S2367-R2371 PolarHBondContact O-NE 2.95Å |
| 2368 | V | 89.7 | Confident | 90.7 | Very high | 4.33333 Ų | 4.33333 | 61.8 Ų | 61.8 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -84.7 | -43.2 | 172.5 | 174.2 | 0 | 0 | 0 | 0 | 109.9 | Y2298 E2301 E2365 P2366 E2370 R2371 F2372 | Y2298-V2368 HydrophobicContact CD1-CG2 3.85Å; Y2298-V2368 HydrophobicContact CD2-CG2 3.49Å; Y2298-V2368 VanDerWaalsContact CD2-CG2 3.44Å; Y2298-V2368 HydrophobicContact CE1-CG2 4.1Å; Y2298-V2368 HydrophobicContact CE2-CG2 3.78Å; Y2298-V2368 HydrophobicContact CG-CG2 3.54Å; E2301-V2368 HydrophobicContact CB-CG1 4.35Å; E2301-V2368 HydrophobicContact CG-CG1 4.2Å; E2365-V2368 HydrophobicContact CB-CB 4.29Å; E2365-V2368 HydrophobicContact CB-CG2 4.16Å; E2365-V2368 HydrophobicContact CG-CB 4.12Å; E2365-V2368 HydrophobicContact CG-CG2 3.67Å; E2365-V2368 VanDerWaalsContact CG-CG2 3.49Å; E2365-V2368 PolarHBondContact O-N 3.1Å; E2365-V2368 VanDerWaalsContact O-N 3.1Å; P2366-V2368 VanDerWaalsContact C-N 3.28Å; P2366-V2368 PolarHBondContact O-N 3.12Å; V2368-E2370 VanDerWaalsContact C-N 3.34Å; V2368-E2370 PolarHBondContact O-N 3.08Å; V2368-R2371 VanDerWaalsContact CG2-NH2 3.34Å; V2368-R2371 WeakPolarHBondContact O-CB 3.42Å; V2368-R2371 PolarHBondContact O-N 2.93Å; V2368-R2371 VanDerWaalsContact O-N 3.15Å; V2368-F2372 HydrophobicContact CG1-CD2 4.24Å; V2368-F2372 HydrophobicContact CG1-CE1 4Å; V2368-F2372 HydrophobicContact CG1-CE2 3.53Å; V2368-F2372 VanDerWaalsContact CG1-CE2 3.49Å; V2368-F2372 HydrophobicContact CG1-CZ 3.39Å; V2368-F2372 VanDerWaalsContact CG1-CZ 3.41Å; V2368-F2372 WeakPolarHBondContact O-CG 3.37Å; V2368-F2372 PolarHBondContact O-N 2.98Å |
| 2369 | Q | 90.1 | Very high | 90.8 | Very high | 88.6667 Ų | 88.6667 | 61.3 Ų | 61.3 | 41% | 0.414 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.5 | -45.4 | 176 | -172.5 | -179.9 | 1.7 | 0 | 0 | 112.1 | C2363 E2365 P2366 R2371 F2372 L2373 | C2363-Q2369 HydrophobicContact CB-CB 4.38Å; E2365-Q2369 PolarHBondContact O-N 3.09Å; E2365-Q2369 VanDerWaalsContact O-N 3.09Å; P2366-Q2369 PolarHBondContact O-N 2.98Å; P2366-Q2369 VanDerWaalsContact O-N 3.15Å; Q2369-R2371 VanDerWaalsContact C-N 3.28Å; Q2369-R2371 PolarHBondContact O-N 3.08Å; Q2369-F2372 PolarHBondContact O-N 3.03Å; Q2369-L2373 HydrophobicContact CG-CD1 4.11Å; Q2369-L2373 HydrophobicContact CG-CG 4.47Å; Q2369-L2373 VanDerWaalsContact O-CG 3.32Å; Q2369-L2373 WeakPolarHBondContact O-CG 3.32Å; Q2369-L2373 PolarHBondContact O-N 3.15Å |
| 2370 | E | 90.3 | Very high | 91 | Very high | 90 Ų | 90 | 55.1 Ų | 55.1 | 42% | 0.421 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.4 | -40.1 | 175 | -77.6 | 175.9 | -156.2 | 0 | 0 | 112.3 | P2366 V2368 L2373 N2374 C2432 | P2366-E2370 WeakPolarHBondContact O-CB 3.47Å; P2366-E2370 WeakPolarHBondContact O-CG 3.47Å; P2366-E2370 PolarHBondContact O-N 3.14Å; V2368-E2370 VanDerWaalsContact C-N 3.34Å; V2368-E2370 PolarHBondContact O-N 3.08Å; E2370-L2373 PolarHBondContact O-N 3.24Å; E2370-N2374 WeakPolarHBondContact O-CB 3.44Å; E2370-N2374 PolarHBondContact O-N 3.02Å; E2370-C2432 HydrophobicContact CG-CB 4.28Å |
| 2371 | R | 91.1 | Very high | 91.1 | Very high | 98 Ų | 98 | 49.6 Ų | 49.6 | 37% | 0.37 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -68.8 | -38.6 | 178.1 | -75.6 | -177.2 | -79.9 | 153.5 | 5 | 111.9 | E2301 M2305 S2367 V2368 Q2369 R2375 | E2301-R2371 VanDerWaalsContact CD-NH1 3.28Å; E2301-R2371 WeakPolarHBondContact OE1-CD 3.29Å; E2301-R2371 IonicContact OE1-CZ 3.02Å; E2301-R2371 IonicContact OE1-NE 3.87Å; E2301-R2371 IonicContact OE1-NH1 3.07Å; E2301-R2371 PolarHBondContact OE1-NH1 3.01Å; E2301-R2371 IonicContact OE1-NH2 2.95Å; E2301-R2371 IonicContact OE2-CZ 3.39Å; E2301-R2371 IonicContact OE2-NH1 3.12Å; E2301-R2371 PolarHBondContact OE2-NH1 3.18Å; E2301-R2371 VanDerWaalsContact OE2-NH1 3.12Å; E2301-R2371 IonicContact OE2-NH2 3.15Å; E2301-R2371 PolarHBondContact OE2-NH2 2.9Å; M2305-R2371 HydrophobicContact CE-CB 3.73Å; S2367-R2371 WeakPolarHBondContact O-CG 3.38Å; S2367-R2371 PolarHBondContact O-NE 2.95Å; V2368-R2371 VanDerWaalsContact CG2-NH2 3.34Å; V2368-R2371 WeakPolarHBondContact O-CB 3.42Å; V2368-R2371 PolarHBondContact O-N 2.93Å; V2368-R2371 VanDerWaalsContact O-N 3.15Å; Q2369-R2371 VanDerWaalsContact C-N 3.28Å; Q2369-R2371 PolarHBondContact O-N 3.08Å; R2371-R2375 WeakPolarHBondContact O-CB 3.39Å; R2371-R2375 PolarHBondContact O-N 3.14Å |
| 2372 | F | 93.5 | Very high | 91.3 | Very high | 8 Ų | 8 | 50.3 Ų | 50.3 | 4% | 0.035 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.6 | -44 | 171.2 | -60.9 | -26.3 | 0 | 0 | 0 | 112 | E2301 V2304 M2305 L2308 I2358 L2361 V2368 Q2369 R2375 F2376 | E2301-F2372 HydrophobicContact CG-CE1 3.96Å; E2301-F2372 HydrophobicContact CG-CZ 4.32Å; V2304-F2372 HydrophobicContact CB-CD1 4.35Å; V2304-F2372 HydrophobicContact CB-CE1 3.64Å; V2304-F2372 HydrophobicContact CB-CE2 4.3Å; V2304-F2372 HydrophobicContact CB-CZ 3.61Å; V2304-F2372 HydrophobicContact CG1-CD1 3.75Å; V2304-F2372 HydrophobicContact CG1-CD2 4.11Å; V2304-F2372 HydrophobicContact CG1-CE1 3.53Å; V2304-F2372 HydrophobicContact CG1-CE2 3.89Å; V2304-F2372 HydrophobicContact CG1-CG 4.05Å; V2304-F2372 HydrophobicContact CG1-CZ 3.6Å; V2304-F2372 HydrophobicContact CG2-CE2 4.5Å; V2304-F2372 HydrophobicContact CG2-CZ 4.05Å; M2305-F2372 HydrophobicContact CE-CD1 4.13Å; M2305-F2372 HydrophobicContact CE-CE1 4.38Å; M2305-F2372 HydrophobicContact CG-CD1 4.45Å; M2305-F2372 HydrophobicContact CG-CE1 4.29Å; M2305-F2372 HydrophobicContact SD-CD1 4.23Å; L2308-F2372 HydrophobicContact CD1-CB 4.24Å; L2308-F2372 HydrophobicContact CD1-CD1 4.22Å; L2308-F2372 HydrophobicContact CD1-CG 4.49Å; I2358-F2372 HydrophobicContact CG2-CB 4.12Å; L2361-F2372 HydrophobicContact CD1-CE2 4.41Å; V2368-F2372 HydrophobicContact CG1-CD2 4.24Å; V2368-F2372 HydrophobicContact CG1-CE1 4Å; V2368-F2372 HydrophobicContact CG1-CE2 3.53Å; V2368-F2372 VanDerWaalsContact CG1-CE2 3.49Å; V2368-F2372 HydrophobicContact CG1-CZ 3.39Å; V2368-F2372 VanDerWaalsContact CG1-CZ 3.41Å; V2368-F2372 WeakPolarHBondContact O-CG 3.37Å; V2368-F2372 PolarHBondContact O-N 2.98Å; Q2369-F2372 PolarHBondContact O-N 3.03Å; F2372-R2375 PolarHBondContact O-N 3.08Å; F2372-F2376 WeakPolarHBondContact O-CB 3.43Å; F2372-F2376 PolarHBondContact O-N 2.85Å |
| 2373 | L | 93 | Very high | 91.6 | Very high | 13.6667 Ų | 13.6667 | 43.3 Ų | 43.3 | 7% | 0.072 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.8 | -41.6 | 178.8 | -68.1 | 172.7 | 0 | 0 | 0 | 112 | F2355 Q2369 E2370 R2375 F2376 A2377 M2426 L2431 | F2355-L2373 HydrophobicContact CE2-CD2 3.88Å; Q2369-L2373 HydrophobicContact CG-CD1 4.11Å; Q2369-L2373 HydrophobicContact CG-CG 4.47Å; Q2369-L2373 VanDerWaalsContact O-CG 3.32Å; Q2369-L2373 WeakPolarHBondContact O-CG 3.32Å; Q2369-L2373 PolarHBondContact O-N 3.15Å; E2370-L2373 PolarHBondContact O-N 3.24Å; L2373-R2375 VanDerWaalsContact C-N 3.34Å; L2373-R2375 PolarHBondContact O-N 3.1Å; L2373-F2376 PolarHBondContact O-N 3.36Å; L2373-A2377 VanDerWaalsContact O-CB 3.28Å; L2373-A2377 WeakPolarHBondContact O-CB 3.43Å; L2373-A2377 PolarHBondContact O-N 3.22Å; L2373-M2426 HydrophobicContact CD2-CB 4.4Å; L2373-M2426 HydrophobicContact CD2-CG 4.27Å; L2373-L2431 HydrophobicContact CB-CD2 4.36Å; L2373-L2431 HydrophobicContact CD1-CD2 3.82Å |
| 2374 | N | 92.4 | Very high | 92.2 | Very high | 22.3333 Ų | 22.3333 | 41.9 Ų | 41.9 | 12% | 0.119 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.4 | -41.9 | 173.7 | -169.2 | -90.9 | 0 | 0 | 0 | 111.7 | E2370 A2377 R2378 D2434 T2435 | E2370-N2374 WeakPolarHBondContact O-CB 3.44Å; E2370-N2374 PolarHBondContact O-N 3.02Å; N2374-A2377 WeakPolarHBondContact O-CB 3.32Å; N2374-A2377 PolarHBondContact O-N 3.09Å; N2374-R2378 WeakPolarHBondContact O-CG 3.4Å; N2374-R2378 PolarHBondContact O-N 3.15Å; N2374-R2378 VanDerWaalsContact OD1-CZ 3.3Å; N2374-R2378 PolarHBondContact OD1-NE 3.21Å; N2374-R2378 PolarHBondContact OD1-NH2 3.12Å; N2374-D2434 WeakPolarHBondContact ND2-CB 3.36Å; N2374-T2435 WeakPolarHBondContact CA-OG1 3.26Å; N2374-T2435 WeakPolarHBondContact CB-OG1 3.22Å; N2374-T2435 PolarHBondContact ND2-N 2.95Å; N2374-T2435 PolarHBondContact ND2-OG1 2.86Å |
| 2375 | R | 93.1 | Very high | 92.6 | Very high | 38.6667 Ų | 38.6667 | 39.5 Ų | 39.5 | 15% | 0.146 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.9 | -40.8 | 177.7 | 177.8 | 59.7 | -171.7 | 96.1 | -13.3 | 112.2 | M2305 L2308 N2309 D2312 R2371 F2372 L2373 R2378 T2379 | M2305-R2375 HydrophobicContact SD-CB 4.07Å; M2305-R2375 HydrophobicContact SD-CG 4.09Å; L2308-R2375 HydrophobicContact CB-CG 3.82Å; L2308-R2375 HydrophobicContact CD1-CB 4.03Å; L2308-R2375 HydrophobicContact CD1-CG 3.84Å; L2308-R2375 HydrophobicContact CG-CG 4.41Å; N2309-R2375 VanDerWaalsContact OD1-CZ 3.26Å; N2309-R2375 PolarHBondContact OD1-NE 3.21Å; N2309-R2375 PolarHBondContact OD1-NH2 3.12Å; D2312-R2375 IonicContact OD1-CZ 3.02Å; D2312-R2375 IonicContact OD1-NH1 3.16Å; D2312-R2375 PolarHBondContact OD1-NH1 2.97Å; D2312-R2375 IonicContact OD1-NH2 3.26Å; D2312-R2375 PolarHBondContact OD1-NH2 3.07Å; D2312-R2375 IonicContact OD2-CZ 2.76Å; D2312-R2375 IonicContact OD2-NH1 3.36Å; D2312-R2375 PolarHBondContact OD2-NH1 3.38Å; D2312-R2375 IonicContact OD2-NH2 3.34Å; D2312-R2375 PolarHBondContact OD2-NH2 3.16Å; R2371-R2375 WeakPolarHBondContact O-CB 3.39Å; R2371-R2375 PolarHBondContact O-N 3.14Å; F2372-R2375 PolarHBondContact O-N 3.08Å; L2373-R2375 VanDerWaalsContact C-N 3.34Å; L2373-R2375 PolarHBondContact O-N 3.1Å; R2375-R2378 WeakPolarHBondContact O-CB 3.21Å; R2375-R2378 PolarHBondContact O-N 3.19Å; R2375-T2379 PolarHBondContact NH1-OG1 3.18Å; R2375-T2379 PolarHBondContact O-N 3.13Å; R2375-T2379 PolarHBondContact O-OG1 2.99Å |
| 2376 | F | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.2 | -37 | 175.3 | 177.3 | -111.7 | 0 | 0 | 0 | 112.2 | L2308 L2351 C2354 F2355 I2358 F2372 L2373 R2378 T2379 V2380 V2422 M2426 | L2308-F2376 HydrophobicContact CD2-CB 4.45Å; L2351-F2376 WeakPolarHBondContact O-CZ 3.3Å; C2354-F2376 HydrophobicContact CB-CD2 4.48Å; C2354-F2376 HydrophobicContact CB-CE2 3.85Å; F2355-F2376 HydrophobicContact CB-CE1 3.81Å; F2355-F2376 HydrophobicContact CB-CE2 4.49Å; F2355-F2376 HydrophobicContact CB-CZ 3.74Å; F2355-F2376 HydrophobicContact CD2-CD1 4.19Å; F2355-F2376 AromaticContact CD2-CE1 3.93Å; F2355-F2376 HydrophobicContact CD2-CE1 3.93Å; F2355-F2376 HydrophobicContact CG-CE1 4.2Å; I2358-F2376 HydrophobicContact CD1-CB 3.67Å; I2358-F2376 HydrophobicContact CD1-CD1 4.27Å; I2358-F2376 HydrophobicContact CD1-CD2 3.91Å; I2358-F2376 HydrophobicContact CD1-CG 3.68Å; F2372-F2376 WeakPolarHBondContact O-CB 3.43Å; F2372-F2376 PolarHBondContact O-N 2.85Å; L2373-F2376 PolarHBondContact O-N 3.36Å; F2376-R2378 VanDerWaalsContact C-N 3.26Å; F2376-R2378 PolarHBondContact O-N 3.2Å; F2376-T2379 WeakPolarHBondContact O-CA 3.36Å; F2376-T2379 VanDerWaalsContact O-CB 3.23Å; F2376-T2379 WeakPolarHBondContact O-CB 3.31Å; F2376-T2379 PolarHBondContact O-N 2.87Å; F2376-V2380 HydrophobicContact CD1-CG2 4.2Å; F2376-V2380 HydrophobicContact CD2-CG2 4.49Å; F2376-V2380 HydrophobicContact CE1-CG2 3.7Å; F2376-V2380 HydrophobicContact CE2-CG2 4.05Å; F2376-V2380 HydrophobicContact CZ-CG2 3.61Å; F2376-V2380 WeakPolarHBondContact O-CG2 3.27Å; F2376-V2380 PolarHBondContact O-N 3.12Å; F2376-V2422 HydrophobicContact CE1-CG1 4.23Å; F2376-M2426 HydrophobicContact CD1-CG 4.46Å; F2376-M2426 HydrophobicContact CD1-SD 3.64Å; F2376-M2426 HydrophobicContact CE1-CG 4.44Å; F2376-M2426 HydrophobicContact CE1-SD 3.89Å |
| 2377 | A | 93.9 | Very high | 93.5 | Very high | 0.666667 Ų | 0.666667 | 35.3 Ų | 35.3 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59 | -36.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L2373 N2374 V2380 S2381 T2435 M2439 | L2373-A2377 VanDerWaalsContact O-CB 3.28Å; L2373-A2377 WeakPolarHBondContact O-CB 3.43Å; L2373-A2377 PolarHBondContact O-N 3.22Å; N2374-A2377 WeakPolarHBondContact O-CB 3.32Å; N2374-A2377 PolarHBondContact O-N 3.09Å; A2377-V2380 PolarHBondContact O-N 3.01Å; A2377-S2381 WeakPolarHBondContact O-CB 3.3Å; A2377-S2381 PolarHBondContact O-N 3.23Å; A2377-T2435 HydrophobicContact CB-CG2 3.74Å; A2377-M2439 HydrophobicContact CB-CE 3.39Å; A2377-M2439 VanDerWaalsContact CB-CE 3.48Å; A2377-M2439 VanDerWaalsContact O-CE 3.29Å; A2377-M2439 WeakPolarHBondContact O-CE 3.36Å |
| 2378 | R | 93.1 | Very high | 93.9 | Very high | 151.667 Ų | 151.667 | 33.3 Ų | 33.3 | 57% | 0.572 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -65.6 | -38.5 | 171.6 | -63.4 | 173.9 | -167.4 | -144.2 | 0.2 | 112.1 | N2374 R2375 F2376 S2381 K2382 | N2374-R2378 WeakPolarHBondContact O-CG 3.4Å; N2374-R2378 PolarHBondContact O-N 3.15Å; N2374-R2378 VanDerWaalsContact OD1-CZ 3.3Å; N2374-R2378 PolarHBondContact OD1-NE 3.21Å; N2374-R2378 PolarHBondContact OD1-NH2 3.12Å; R2375-R2378 WeakPolarHBondContact O-CB 3.21Å; R2375-R2378 PolarHBondContact O-N 3.19Å; F2376-R2378 VanDerWaalsContact C-N 3.26Å; F2376-R2378 PolarHBondContact O-N 3.2Å; R2378-S2381 PolarHBondContact O-N 3.33Å; R2378-K2382 VanDerWaalsContact O-CB 3.28Å; R2378-K2382 WeakPolarHBondContact O-CB 3.33Å; R2378-K2382 PolarHBondContact O-N 2.87Å |
| 2379 | T | 93.4 | Very high | 94.1 | Very high | 0.333333 Ų | 0.333333 | 39.5 Ų | 39.5 | 0% | 0.002 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60 | -51.1 | 172.8 | -51.8 | 0 | 0 | 0 | 0 | 111.3 | D2312 R2375 F2376 S2381 K2382 V2383 | D2312-T2379 WeakPolarHBondContact OD1-CA 3.38Å; D2312-T2379 VanDerWaalsContact OD1-CB 3.25Å; D2312-T2379 WeakPolarHBondContact OD1-CB 3.35Å; D2312-T2379 VanDerWaalsContact OD1-CG2 3.3Å; D2312-T2379 WeakPolarHBondContact OD1-CG2 3.33Å; D2312-T2379 PolarHBondContact OD1-OG1 3.04Å; R2375-T2379 PolarHBondContact NH1-OG1 3.18Å; R2375-T2379 PolarHBondContact O-N 3.13Å; R2375-T2379 PolarHBondContact O-OG1 2.99Å; F2376-T2379 WeakPolarHBondContact O-CA 3.36Å; F2376-T2379 VanDerWaalsContact O-CB 3.23Å; F2376-T2379 WeakPolarHBondContact O-CB 3.31Å; F2376-T2379 PolarHBondContact O-N 2.87Å; T2379-S2381 VanDerWaalsContact C-N 3.33Å; T2379-S2381 PolarHBondContact O-N 3.23Å; T2379-K2382 PolarHBondContact O-N 3.04Å; T2379-V2383 HydrophobicContact CG2-CG2 4.42Å; T2379-V2383 VanDerWaalsContact O-CG2 3.32Å; T2379-V2383 WeakPolarHBondContact O-CG2 3.25Å; T2379-V2383 PolarHBondContact O-N 3.13Å |
| 2380 | V | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.7 | -46.3 | 178 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | L2351 F2376 A2377 V2383 L2384 L2419 M2439 L2442 | L2351-V2380 HydrophobicContact CD1-CG1 4.43Å; L2351-V2380 HydrophobicContact CD1-CG2 4.46Å; L2351-V2380 HydrophobicContact CD2-CG2 4.19Å; F2376-V2380 HydrophobicContact CD1-CG2 4.2Å; F2376-V2380 HydrophobicContact CD2-CG2 4.49Å; F2376-V2380 HydrophobicContact CE1-CG2 3.7Å; F2376-V2380 HydrophobicContact CE2-CG2 4.05Å; F2376-V2380 HydrophobicContact CZ-CG2 3.61Å; F2376-V2380 WeakPolarHBondContact O-CG2 3.27Å; F2376-V2380 PolarHBondContact O-N 3.12Å; A2377-V2380 PolarHBondContact O-N 3.01Å; V2380-V2383 PolarHBondContact O-N 3.13Å; V2380-L2384 HydrophobicContact CG1-CD1 3.81Å; V2380-L2384 HydrophobicContact CG1-CG 4.3Å; V2380-L2384 WeakPolarHBondContact O-CB 3.31Å; V2380-L2384 WeakPolarHBondContact O-CG 3.26Å; V2380-L2384 PolarHBondContact O-N 2.81Å; V2380-L2419 HydrophobicContact CG1-CD1 3.68Å; V2380-M2439 HydrophobicContact CB-CE 4.11Å; V2380-M2439 HydrophobicContact CG1-CE 4.16Å; V2380-L2442 HydrophobicContact CG1-CD2 4.1Å |
| 2381 | S | 94.8 | Very high | 94.6 | Very high | 22.6667 Ų | 22.6667 | 33.1 Ų | 33.1 | 16% | 0.159 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60 | -50 | 177.2 | -173.6 | 0 | 0 | 0 | 0 | 112.5 | A2377 R2378 T2379 V2383 L2384 L2385 | A2377-S2381 WeakPolarHBondContact O-CB 3.3Å; A2377-S2381 PolarHBondContact O-N 3.23Å; R2378-S2381 PolarHBondContact O-N 3.33Å; T2379-S2381 VanDerWaalsContact C-N 3.33Å; T2379-S2381 PolarHBondContact O-N 3.23Å; S2381-V2383 PolarHBondContact O-N 3.32Å; S2381-L2384 PolarHBondContact O-N 3.12Å; S2381-L2385 VanDerWaalsContact O-CB 3.31Å; S2381-L2385 WeakPolarHBondContact O-CB 3.33Å; S2381-L2385 VanDerWaalsContact O-CG 3.26Å; S2381-L2385 WeakPolarHBondContact O-CG 3.32Å; S2381-L2385 PolarHBondContact O-N 3.3Å |
| 2382 | K | 94.6 | Very high | 94.7 | Very high | 88 Ų | 88 | 32.7 Ų | 32.7 | 38% | 0.383 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -56.7 | -46.6 | 177.4 | -173.8 | -174 | -175.4 | -174.4 | 0 | 112.3 | D2312 M2316 R2378 T2379 T2386 | D2312-K2382 WeakPolarHBondContact OD2-CD 3.27Å; D2312-K2382 IonicContact OD2-NZ 3.08Å; D2312-K2382 PolarHBondContact OD2-NZ 2.94Å; M2316-K2382 HydrophobicContact CG-CD 4.43Å; M2316-K2382 HydrophobicContact SD-CD 4.47Å; M2316-K2382 HydrophobicContact SD-CG 4.04Å; R2378-K2382 VanDerWaalsContact O-CB 3.28Å; R2378-K2382 WeakPolarHBondContact O-CB 3.33Å; R2378-K2382 PolarHBondContact O-N 2.87Å; T2379-K2382 PolarHBondContact O-N 3.04Å; K2382-T2386 VanDerWaalsContact O-CB 3.32Å; K2382-T2386 WeakPolarHBondContact O-CB 3.26Å; K2382-T2386 PolarHBondContact O-N 2.94Å; K2382-T2386 VanDerWaalsContact O-N 3.12Å; K2382-T2386 PolarHBondContact O-OG1 3.26Å |
| 2383 | V | 96.2 | Very high | 94.7 | Very high | 2.33333 Ų | 2.33333 | 35.6 Ų | 35.6 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.1 | -49.2 | -179.3 | 170.5 | 0 | 0 | 0 | 0 | 111.5 | M2316 L2319 V2347 L2351 T2379 V2380 S2381 T2386 Y2387 | M2316-V2383 HydrophobicContact CG-CG2 4.41Å; M2316-V2383 HydrophobicContact SD-CG2 4.26Å; L2319-V2383 HydrophobicContact CB-CG1 4.37Å; L2319-V2383 HydrophobicContact CD2-CG1 4.2Å; L2319-V2383 WeakPolarHBondContact CD2-O 3.36Å; V2347-V2383 HydrophobicContact CG1-CG1 3.76Å; L2351-V2383 HydrophobicContact CD1-CG1 4.31Å; L2351-V2383 HydrophobicContact CD2-CB 4.41Å; L2351-V2383 HydrophobicContact CD2-CG1 4.39Å; L2351-V2383 HydrophobicContact CD2-CG2 4.36Å; T2379-V2383 HydrophobicContact CG2-CG2 4.42Å; T2379-V2383 VanDerWaalsContact O-CG2 3.32Å; T2379-V2383 WeakPolarHBondContact O-CG2 3.25Å; T2379-V2383 PolarHBondContact O-N 3.13Å; V2380-V2383 PolarHBondContact O-N 3.13Å; S2381-V2383 PolarHBondContact O-N 3.32Å; V2383-T2386 PolarHBondContact O-N 3.05Å; V2383-Y2387 PolarHBondContact O-N 2.97Å |
| 2384 | L | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72.2 | -35.3 | -175.7 | -63.3 | -175.5 | 0 | 0 | 0 | 113 | V2347 F2348 L2351 V2380 S2381 Y2387 A2388 L2415 L2419 L2442 L2446 | V2347-L2384 HydrophobicContact CG1-CD2 4.06Å; F2348-L2384 HydrophobicContact CE1-CD1 4.45Å; F2348-L2384 HydrophobicContact CE2-CD1 4.43Å; F2348-L2384 HydrophobicContact CE2-CD2 3.76Å; F2348-L2384 HydrophobicContact CZ-CD1 3.78Å; F2348-L2384 HydrophobicContact CZ-CD2 3.82Å; F2348-L2384 HydrophobicContact CZ-CG 4.4Å; L2351-L2384 HydrophobicContact CD1-CD2 4.17Å; L2351-L2384 HydrophobicContact CD1-CG 4.4Å; V2380-L2384 HydrophobicContact CG1-CD1 3.81Å; V2380-L2384 HydrophobicContact CG1-CG 4.3Å; V2380-L2384 WeakPolarHBondContact O-CB 3.31Å; V2380-L2384 WeakPolarHBondContact O-CG 3.26Å; V2380-L2384 PolarHBondContact O-N 2.81Å; S2381-L2384 PolarHBondContact O-N 3.12Å; L2384-Y2387 PolarHBondContact O-N 2.9Å; L2384-A2388 WeakPolarHBondContact O-CB 3.42Å; L2384-A2388 PolarHBondContact O-N 3.06Å; L2384-A2388 VanDerWaalsContact O-N 3.12Å; L2384-L2415 HydrophobicContact CD2-CD1 4.43Å; L2384-L2415 HydrophobicContact CD2-CD2 4.12Å; L2384-L2419 HydrophobicContact CD1-CB 4.11Å; L2384-L2419 HydrophobicContact CD1-CD1 3.96Å; L2384-L2419 HydrophobicContact CD1-CD2 4.22Å; L2384-L2419 HydrophobicContact CD1-CG 4.33Å; L2384-L2442 HydrophobicContact CB-CD1 4.38Å; L2384-L2442 HydrophobicContact CD1-CD2 4.17Å; L2384-L2446 HydrophobicContact CB-CD1 4.45Å; L2384-L2446 HydrophobicContact CD1-CD1 4.36Å |
| 2385 | L | 95.9 | Very high | 94.8 | Very high | 44 Ų | 44 | 35.4 Ų | 35.4 | 23% | 0.23 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.7 | -41.8 | 171.6 | -68.7 | 175.2 | 0 | 0 | 0 | 111.4 | S2381 Y2387 A2388 E2389 L2442 M2445 | S2381-L2385 VanDerWaalsContact O-CB 3.31Å; S2381-L2385 WeakPolarHBondContact O-CB 3.33Å; S2381-L2385 VanDerWaalsContact O-CG 3.26Å; S2381-L2385 WeakPolarHBondContact O-CG 3.32Å; S2381-L2385 PolarHBondContact O-N 3.3Å; L2385-Y2387 VanDerWaalsContact C-N 3.34Å; L2385-Y2387 PolarHBondContact O-N 3.16Å; L2385-A2388 CarbonylContact O-C 3.51Å; L2385-A2388 WeakPolarHBondContact O-CB 3.42Å; L2385-A2388 PolarHBondContact O-N 3.02Å; L2385-A2388 VanDerWaalsContact O-N 3.13Å; L2385-E2389 WeakPolarHBondContact O-CG 3.41Å; L2385-E2389 PolarHBondContact O-N 3.03Å; L2385-L2442 HydrophobicContact CD1-CD1 4.28Å; L2385-L2442 HydrophobicContact CD2-CD1 3.75Å; L2385-L2442 HydrophobicContact CG-CD1 3.62Å; L2385-M2445 HydrophobicContact CD1-CE 3.86Å; L2385-M2445 HydrophobicContact CD1-SD 4.14Å; L2385-M2445 HydrophobicContact CD2-CB 3.8Å; L2385-M2445 HydrophobicContact CD2-CE 4.16Å; L2385-M2445 HydrophobicContact CD2-SD 4.03Å; L2385-M2445 HydrophobicContact CG-CE 4.48Å |
| 2386 | T | 95.9 | Very high | 94.6 | Very high | 23.6667 Ų | 23.6667 | 40.4 Ų | 40.4 | 15% | 0.145 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.2 | -41 | 176.3 | -57 | 0 | 0 | 0 | 0 | 111.5 | M2316 L2319 K2382 V2383 A2388 E2389 I2390 | M2316-T2386 HydrophobicContact CE-CG2 3.74Å; M2316-T2386 WeakPolarHBondContact CE-OG1 3.29Å; M2316-T2386 HydrophobicContact SD-CG2 4.35Å; L2319-T2386 HydrophobicContact CD2-CG2 3.72Å; K2382-T2386 VanDerWaalsContact O-CB 3.32Å; K2382-T2386 WeakPolarHBondContact O-CB 3.26Å; K2382-T2386 PolarHBondContact O-N 2.94Å; K2382-T2386 VanDerWaalsContact O-N 3.12Å; K2382-T2386 PolarHBondContact O-OG1 3.26Å; V2383-T2386 PolarHBondContact O-N 3.05Å; T2386-A2388 VanDerWaalsContact C-N 3.31Å; T2386-A2388 PolarHBondContact O-N 3Å; T2386-E2389 PolarHBondContact O-N 3.12Å; T2386-I2390 HydrophobicContact CG2-CD1 3.94Å; T2386-I2390 HydrophobicContact CG2-CG1 4.43Å; T2386-I2390 VanDerWaalsContact O-CG1 3.25Å; T2386-I2390 WeakPolarHBondContact O-CG1 3.4Å; T2386-I2390 PolarHBondContact O-N 3.15Å |
| 2387 | Y | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.5 | -47.6 | 172.3 | -170.8 | -71.3 | 0 | 0 | 0 | 110.8 | L2319 Y2323 S2343 V2344 V2347 V2383 L2384 L2385 E2389 I2390 V2391 N2411 I2412 L2415 | L2319-Y2387 HydrophobicContact CD1-CD2 3.45Å; L2319-Y2387 VanDerWaalsContact CD1-CD2 3.49Å; L2319-Y2387 HydrophobicContact CD1-CE2 4.36Å; L2319-Y2387 HydrophobicContact CD1-CG 4.03Å; Y2323-Y2387 HydrophobicContact CD2-CD2 4.42Å; Y2323-Y2387 HydrophobicContact CD2-CE1 4.47Å; Y2323-Y2387 AromaticContact CD2-CE2 3.95Å; Y2323-Y2387 HydrophobicContact CD2-CE2 4Å; Y2323-Y2387 AromaticContact CD2-CZ 3.96Å; Y2323-Y2387 HydrophobicContact CE2-CE1 4.45Å; S2343-Y2387 WeakPolarHBondContact OG-CE2 3.21Å; S2343-Y2387 PolarHBondContact OG-OH 2.89Å; V2344-Y2387 HydrophobicContact CG2-CE2 4.44Å; V2344-Y2387 WeakPolarHBondContact CG2-OH 3.37Å; V2347-Y2387 HydrophobicContact CG2-CD2 4.17Å; V2347-Y2387 HydrophobicContact CG2-CE2 4.36Å; V2383-Y2387 PolarHBondContact O-N 2.97Å; L2384-Y2387 PolarHBondContact O-N 2.9Å; L2385-Y2387 VanDerWaalsContact C-N 3.34Å; L2385-Y2387 PolarHBondContact O-N 3.16Å; Y2387-E2389 PolarHBondContact O-N 3.01Å; Y2387-I2390 PolarHBondContact O-N 2.84Å; Y2387-V2391 HydrophobicContact CD1-CG2 3.8Å; Y2387-V2391 HydrophobicContact CE1-CG2 3.52Å; Y2387-V2391 VanDerWaalsContact CE1-CG2 3.47Å; Y2387-V2391 WeakPolarHBondContact O-CB 3.28Å; Y2387-V2391 WeakPolarHBondContact O-CG2 3.31Å; Y2387-V2391 PolarHBondContact O-N 3.08Å; Y2387-N2411 HydrophobicContact CE1-CB 4.28Å; Y2387-N2411 PolarHBondContact OH-ND2 3.15Å; Y2387-N2411 VanDerWaalsContact OH-ND2 3.09Å; Y2387-I2412 HydrophobicContact CD1-CD1 3.85Å; Y2387-I2412 HydrophobicContact CE1-CD1 4Å; Y2387-L2415 HydrophobicContact CD1-CD1 3.63Å; Y2387-L2415 HydrophobicContact CD1-CD2 4.43Å; Y2387-L2415 HydrophobicContact CD1-CG 4.44Å; Y2387-L2415 HydrophobicContact CE1-CD1 4.23Å; Y2387-L2415 HydrophobicContact CE1-CD2 4.48Å; Y2387-L2415 HydrophobicContact CG-CD1 4.02Å; Y2387-L2415 HydrophobicContact CG-CD2 4.44Å |
| 2388 | A | 96.2 | Very high | 94.3 | Very high | 2.66667 Ų | 2.66667 | 47 Ų | 47 | 2% | 0.022 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.5 | -35.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L2384 L2385 T2386 K2392 I2412 L2446 V2449 | L2384-A2388 WeakPolarHBondContact O-CB 3.42Å; L2384-A2388 PolarHBondContact O-N 3.06Å; L2384-A2388 VanDerWaalsContact O-N 3.12Å; L2385-A2388 CarbonylContact O-C 3.51Å; L2385-A2388 WeakPolarHBondContact O-CB 3.42Å; L2385-A2388 PolarHBondContact O-N 3.02Å; L2385-A2388 VanDerWaalsContact O-N 3.13Å; T2386-A2388 VanDerWaalsContact C-N 3.31Å; T2386-A2388 PolarHBondContact O-N 3Å; A2388-K2392 VanDerWaalsContact O-CB 3.27Å; A2388-K2392 WeakPolarHBondContact O-CB 3.24Å; A2388-K2392 PolarHBondContact O-N 3.05Å; A2388-I2412 HydrophobicContact CB-CD1 4.15Å; A2388-L2446 HydrophobicContact CB-CD2 3.94Å; A2388-V2449 HydrophobicContact CB-CG1 4.26Å; A2388-V2449 HydrophobicContact CB-CG2 4.12Å |
| 2389 | E | 95.5 | Very high | 94.1 | Very high | 135 Ų | 135 | 40.5 Ų | 40.5 | 63% | 0.631 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -66.1 | -45.5 | 173.6 | -74.5 | -177.2 | 162.6 | 0 | 0 | 112.2 | L2385 T2386 Y2387 V2391 K2392 A2393 | L2385-E2389 WeakPolarHBondContact O-CG 3.41Å; L2385-E2389 PolarHBondContact O-N 3.03Å; T2386-E2389 PolarHBondContact O-N 3.12Å; Y2387-E2389 PolarHBondContact O-N 3.01Å; E2389-V2391 VanDerWaalsContact C-N 3.34Å; E2389-V2391 PolarHBondContact O-N 2.74Å; E2389-K2392 PolarHBondContact O-N 3.27Å; E2389-A2393 WeakPolarHBondContact O-CB 3.2Å; E2389-A2393 PolarHBondContact O-N 3.02Å |
| 2390 | I | 95.2 | Very high | 93.9 | Very high | 43.3333 Ų | 43.3333 | 48.3 Ų | 48.3 | 22% | 0.222 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.5 | -46.6 | 176.4 | -63.8 | 165.6 | 0 | 0 | 0 | 109.8 | Y2323 T2386 Y2387 K2392 A2393 D2394 | Y2323-I2390 HydrophobicContact CD1-CG2 3.51Å; Y2323-I2390 VanDerWaalsContact CD1-CG2 3.48Å; Y2323-I2390 HydrophobicContact CD2-CG2 4.4Å; Y2323-I2390 HydrophobicContact CE1-CG2 3.29Å; Y2323-I2390 HydrophobicContact CE2-CG2 4.37Å; Y2323-I2390 HydrophobicContact CG-CG2 4.14Å; T2386-I2390 HydrophobicContact CG2-CD1 3.94Å; T2386-I2390 HydrophobicContact CG2-CG1 4.43Å; T2386-I2390 VanDerWaalsContact O-CG1 3.25Å; T2386-I2390 WeakPolarHBondContact O-CG1 3.4Å; T2386-I2390 PolarHBondContact O-N 3.15Å; Y2387-I2390 PolarHBondContact O-N 2.84Å; I2390-K2392 PolarHBondContact O-N 3.18Å; I2390-A2393 PolarHBondContact O-N 3.01Å; I2390-D2394 PolarHBondContact O-N 2.86Å |
| 2391 | V | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.1 | -49 | 173.8 | 159.6 | 0 | 0 | 0 | 0 | 111.4 | Y2323 Y2387 E2389 A2393 D2394 F2395 I2408 I2412 L2453 | Y2323-V2391 HydrophobicContact CE2-CG2 3.58Å; Y2387-V2391 HydrophobicContact CD1-CG2 3.8Å; Y2387-V2391 HydrophobicContact CE1-CG2 3.52Å; Y2387-V2391 VanDerWaalsContact CE1-CG2 3.47Å; Y2387-V2391 WeakPolarHBondContact O-CB 3.28Å; Y2387-V2391 WeakPolarHBondContact O-CG2 3.31Å; Y2387-V2391 PolarHBondContact O-N 3.08Å; E2389-V2391 VanDerWaalsContact C-N 3.34Å; E2389-V2391 PolarHBondContact O-N 2.74Å; V2391-A2393 VanDerWaalsContact C-N 3.26Å; V2391-A2393 PolarHBondContact O-N 3.39Å; V2391-D2394 PolarHBondContact O-N 3.19Å; V2391-F2395 VanDerWaalsContact O-CB 3.26Å; V2391-F2395 WeakPolarHBondContact O-CB 3.34Å; V2391-F2395 PolarHBondContact O-N 3.06Å; V2391-I2408 HydrophobicContact CB-CG2 4.39Å; V2391-I2408 HydrophobicContact CG1-CG2 3.38Å; V2391-I2408 VanDerWaalsContact CG1-CG2 3.42Å; V2391-I2408 HydrophobicContact CG2-CG2 4.23Å; V2391-I2412 HydrophobicContact CB-CD1 4.01Å; V2391-I2412 HydrophobicContact CG1-CD1 3.95Å; V2391-I2412 HydrophobicContact CG1-CG1 3.98Å; V2391-I2412 HydrophobicContact CG2-CD1 3.99Å; V2391-L2453 HydrophobicContact CG1-CD1 3.81Å; V2391-L2453 HydrophobicContact CG1-CD2 4.24Å |
| 2392 | K | 93.6 | Very high | 93.4 | Very high | 89.3333 Ų | 89.3333 | 55.1 Ų | 55.1 | 39% | 0.388 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.3 | -31.6 | -179.1 | 179.4 | 168.4 | 176.1 | 148.3 | 0 | 112.8 | A2388 E2389 I2390 D2452 | A2388-K2392 VanDerWaalsContact O-CB 3.27Å; A2388-K2392 WeakPolarHBondContact O-CB 3.24Å; A2388-K2392 PolarHBondContact O-N 3.05Å; E2389-K2392 PolarHBondContact O-N 3.27Å; I2390-K2392 PolarHBondContact O-N 3.18Å; K2392-D2452 WeakPolarHBondContact CD-OD2 3.34Å; K2392-D2452 WeakPolarHBondContact CE-OD2 3.23Å; K2392-D2452 IonicContact NZ-OD1 3.09Å; K2392-D2452 PolarHBondContact NZ-OD1 3.35Å; K2392-D2452 IonicContact NZ-OD2 2.68Å; K2392-D2452 PolarHBondContact NZ-OD2 2.97Å |
| 2393 | A | 93.2 | Very high | 93.3 | Very high | 70 Ų | 70 | 55.4 Ų | 55.4 | 58% | 0.579 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -71.1 | -49 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | E2389 I2390 V2391 | E2389-A2393 WeakPolarHBondContact O-CB 3.2Å; E2389-A2393 PolarHBondContact O-N 3.02Å; I2390-A2393 PolarHBondContact O-N 3.01Å; V2391-A2393 VanDerWaalsContact C-N 3.26Å; V2391-A2393 PolarHBondContact O-N 3.39Å |
| 2394 | D | 93.2 | Very high | 93.2 | Very high | 31 Ų | 31 | 56 Ų | 56 | 17% | 0.166 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -77.9 | -24.4 | -175.9 | -84.4 | -17.2 | 0 | 0 | 0 | 113.8 | Y2323 K2327 I2390 V2391 K2396 C2397 W2398 | Y2323-D2394 WeakPolarHBondContact CE1-OD2 3.35Å; Y2323-D2394 PolarHBondContact OH-OD2 2.98Å; K2327-D2394 WeakPolarHBondContact CD-OD2 3.26Å; K2327-D2394 WeakPolarHBondContact CE-OD2 3.41Å; K2327-D2394 VanDerWaalsContact NZ-CG 3.32Å; K2327-D2394 IonicContact NZ-OD1 2.71Å; K2327-D2394 PolarHBondContact NZ-OD1 3.37Å; K2327-D2394 VanDerWaalsContact NZ-OD1 3.15Å; K2327-D2394 IonicContact NZ-OD2 3.12Å; K2327-D2394 PolarHBondContact NZ-OD2 3.34Å; I2390-D2394 PolarHBondContact O-N 2.86Å; V2391-D2394 PolarHBondContact O-N 3.19Å; D2394-K2396 PolarHBondContact O-N 2.98Å; D2394-K2396 VanDerWaalsContact O-N 3.09Å; D2394-C2397 WeakPolarHBondContact O-CB 3.33Å; D2394-C2397 PolarHBondContact O-N 3.07Å; D2394-W2398 VanDerWaalsContact O-CD1 3.25Å |
| 2395 | F | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -52.6 | -36.3 | -172.1 | -172.3 | -116.2 | 0 | 0 | 0 | 113.3 | V2391 C2397 W2398 V2399 A2405 I2408 M2409 L2453 Q2456 | V2391-F2395 VanDerWaalsContact O-CB 3.26Å; V2391-F2395 WeakPolarHBondContact O-CB 3.34Å; V2391-F2395 PolarHBondContact O-N 3.06Å; F2395-C2397 PolarHBondContact O-N 3.21Å; F2395-C2397 VanDerWaalsContact O-N 3.13Å; F2395-W2398 CarbonylContact O-C 3.48Å; F2395-W2398 WeakPolarHBondContact O-CA 3.2Å; F2395-W2398 PolarHBondContact O-N 3.1Å; F2395-V2399 HydrophobicContact CD1-CG2 3.58Å; F2395-V2399 VanDerWaalsContact CD1-CG2 3.45Å; F2395-V2399 HydrophobicContact CE1-CG2 3.58Å; F2395-V2399 VanDerWaalsContact CE1-CG2 3.43Å; F2395-V2399 HydrophobicContact CG-CG2 4.24Å; F2395-V2399 HydrophobicContact CZ-CG2 4.02Å; F2395-V2399 WeakPolarHBondContact O-CG2 3.39Å; F2395-V2399 PolarHBondContact O-N 3.05Å; F2395-A2405 HydrophobicContact CE2-CB 4.1Å; F2395-A2405 HydrophobicContact CZ-CB 4.33Å; F2395-I2408 HydrophobicContact CD2-CB 4.34Å; F2395-I2408 HydrophobicContact CD2-CG2 3.84Å; F2395-I2408 HydrophobicContact CE2-CB 4.47Å; F2395-I2408 HydrophobicContact CE2-CG2 4.31Å; F2395-M2409 HydrophobicContact CE2-CG 4.07Å; F2395-M2409 HydrophobicContact CZ-CE 4.37Å; F2395-M2409 HydrophobicContact CZ-CG 4.1Å; F2395-M2409 HydrophobicContact CZ-SD 4.18Å; F2395-L2453 HydrophobicContact CB-CD2 3.67Å; F2395-L2453 HydrophobicContact CD1-CB 4.4Å; F2395-L2453 HydrophobicContact CD1-CD2 3.54Å; F2395-L2453 VanDerWaalsContact CD1-CD2 3.46Å; F2395-L2453 HydrophobicContact CD2-CD2 3.89Å; F2395-L2453 HydrophobicContact CE1-CB 4.04Å; F2395-L2453 HydrophobicContact CE1-CD2 4.06Å; F2395-L2453 VanDerWaalsContact CE1-O 3.28Å; F2395-L2453 WeakPolarHBondContact CE1-O 3.31Å; F2395-L2453 HydrophobicContact CE2-CB 4.43Å; F2395-L2453 HydrophobicContact CE2-CD2 4.36Å; F2395-L2453 HydrophobicContact CG-CD2 3.44Å; F2395-L2453 VanDerWaalsContact CG-CD2 3.44Å; F2395-L2453 HydrophobicContact CZ-CB 4.07Å; F2395-L2453 HydrophobicContact CZ-CD2 4.33Å; F2395-Q2456 HydrophobicContact CD1-CB 4.18Å; F2395-Q2456 HydrophobicContact CE1-CB 4Å |
| 2396 | K | 89 | Confident | 92.9 | Very high | 144 Ų | 144 | 53.9 Ų | 53.9 | 63% | 0.626 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -57.1 | -28 | 178.6 | -64.7 | -179.2 | -177.9 | 179.1 | 0 | 113.6 | D2394 W2398 | D2394-K2396 PolarHBondContact O-N 2.98Å; D2394-K2396 VanDerWaalsContact O-N 3.09Å; K2396-W2398 VanDerWaalsContact C-N 3.35Å |
| 2397 | C | 90.1 | Very high | 92.8 | Very high | 95 Ų | 95 | 52.9 Ų | 52.9 | 64% | 0.642 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -76.3 | -25.6 | 174.9 | -62.2 | 0 | 0 | 0 | 0 | 112.7 | D2394 F2395 | D2394-C2397 WeakPolarHBondContact O-CB 3.33Å; D2394-C2397 PolarHBondContact O-N 3.07Å; F2395-C2397 PolarHBondContact O-N 3.21Å; F2395-C2397 VanDerWaalsContact O-N 3.13Å |
| 2398 | W | 91.3 | Very high | 92.7 | Very high | 43.6667 Ų | 43.6667 | 52.9 Ų | 52.9 | 17% | 0.165 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -104.1 | -12.6 | -172.8 | -56 | 107.5 | 0 | 0 | 0 | 113.9 | K2327 F2331 D2394 F2395 K2396 H2400 Q2401 T2404 I2408 | K2327-W2398 HydrophobicContact CG-CZ2 4.41Å; F2331-W2398 HydrophobicContact CD2-CZ2 4.37Å; F2331-W2398 HydrophobicContact CE2-CD2 4.41Å; F2331-W2398 AromaticContact CE2-CE2 3.74Å; F2331-W2398 AromaticContact CE2-CZ2 3.86Å; F2331-W2398 HydrophobicContact CE2-CZ2 3.86Å; F2331-W2398 AromaticContact CE2-NE1 3.73Å; D2394-W2398 VanDerWaalsContact O-CD1 3.25Å; F2395-W2398 CarbonylContact O-C 3.48Å; F2395-W2398 WeakPolarHBondContact O-CA 3.2Å; F2395-W2398 PolarHBondContact O-N 3.1Å; K2396-W2398 VanDerWaalsContact C-N 3.35Å; W2398-H2400 PolarHBondContact O-N 3.23Å; W2398-H2400 VanDerWaalsContact O-N 3.09Å; W2398-Q2401 WeakPolarHBondContact O-CA 3.32Å; W2398-Q2401 PolarHBondContact O-N 3.43Å; W2398-T2404 HydrophobicContact CB-CG2 4.26Å; W2398-T2404 HydrophobicContact CD2-CG2 3.88Å; W2398-T2404 HydrophobicContact CE3-CG2 3.55Å; W2398-T2404 HydrophobicContact CG-CG2 4.19Å; W2398-T2404 HydrophobicContact CZ3-CG2 4.14Å; W2398-I2408 HydrophobicContact CB-CD1 3.87Å; W2398-I2408 HydrophobicContact CD2-CD1 4.49Å; W2398-I2408 HydrophobicContact CG-CD1 3.77Å |
| 2399 | V | 90.2 | Very high | 92.7 | Very high | 14.6667 Ų | 14.6667 | 52.8 Ų | 52.8 | 9% | 0.089 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -31.1 | 179.7 | 169.8 | 0 | 0 | 0 | 0 | 113.7 | F2395 Q2401 Y2457 A2460 | F2395-V2399 HydrophobicContact CD1-CG2 3.58Å; F2395-V2399 VanDerWaalsContact CD1-CG2 3.45Å; F2395-V2399 HydrophobicContact CE1-CG2 3.58Å; F2395-V2399 VanDerWaalsContact CE1-CG2 3.43Å; F2395-V2399 HydrophobicContact CG-CG2 4.24Å; F2395-V2399 HydrophobicContact CZ-CG2 4.02Å; F2395-V2399 WeakPolarHBondContact O-CG2 3.39Å; F2395-V2399 PolarHBondContact O-N 3.05Å; V2399-Q2401 VanDerWaalsContact C-N 3.34Å; V2399-Y2457 HydrophobicContact CG1-CD2 4.19Å; V2399-Y2457 VanDerWaalsContact O-CE2 3.31Å; V2399-Y2457 WeakPolarHBondContact O-CE2 3.43Å; V2399-A2460 HydrophobicContact CB-CB 4.46Å; V2399-A2460 HydrophobicContact CG1-CB 3.27Å |
| 2400 | H | 87.5 | Confident | 92.7 | Very high | 164.333 Ų | 164.333 | 46.5 Ų | 46.5 | 76% | 0.761 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -8.7 | 178.1 | -59.6 | -46.8 | 0 | 0 | 0 | 114.4 | W2398 | W2398-H2400 PolarHBondContact O-N 3.23Å; W2398-H2400 VanDerWaalsContact O-N 3.09Å |
| 2401 | Q | 91.2 | Very high | 92.7 | Very high | 96.5 Ų | 96.5 | 44.5 Ų | 44.5 | 45% | 0.451 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -102.4 | 97.9 | 175.9 | -64.6 | -174.1 | 9.2 | 0 | 0 | 109.2 | W2398 V2399 E2403 T2404 A2405 | W2398-Q2401 WeakPolarHBondContact O-CA 3.32Å; W2398-Q2401 PolarHBondContact O-N 3.43Å; V2399-Q2401 VanDerWaalsContact C-N 3.34Å; Q2401-E2403 PolarHBondContact O-N 3.15Å; Q2401-T2404 PolarHBondContact O-N 3.12Å; Q2401-T2404 PolarHBondContact OE1-OG1 2.83Å; Q2401-A2405 WeakPolarHBondContact O-CB 3.21Å; Q2401-A2405 PolarHBondContact O-N 2.88Å |
| 2402 | Q | 89.7 | Confident | 92.8 | Very high | 69 Ų | 69 | 44.5 Ų | 44.5 | 32% | 0.322 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -53.2 | -49.2 | -170.6 | 172 | 171.1 | -15.8 | 0 | 0 | 113.8 | C2406 Y2457 A2508 L2512 | Q2402-C2406 PolarHBondContact O-N 2.79Å; Q2402-C2406 VanDerWaalsContact O-N 3.13Å; Q2402-C2406 PolarHBondContact O-SG 3.04Å; Q2402-Y2457 WeakPolarHBondContact CG-OH 3.26Å; Q2402-A2508 VanDerWaalsContact NE2-CB 3.28Å; Q2402-L2512 HydrophobicContact CG-CD1 3.68Å |
| 2403 | E | 91.8 | Very high | 92.9 | Very high | 94.5 Ų | 94.5 | 40.6 Ų | 40.6 | 44% | 0.442 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64 | -51.7 | 179.9 | 177.8 | 158.3 | -145.9 | 0 | 0 | 111.9 | R2333 Q2401 A2405 C2406 I2407 L2512 | R2333-E2403 IonicContact CZ-OE1 3.89Å; R2333-E2403 IonicContact NE-OE1 2.83Å; R2333-E2403 PolarHBondContact NE-OE1 2.96Å; R2333-E2403 IonicContact NH2-OE1 3.78Å; R2333-E2403 PolarHBondContact NH2-OE1 2.7Å; Q2401-E2403 PolarHBondContact O-N 3.15Å; E2403-A2405 VanDerWaalsContact C-N 3.31Å; E2403-A2405 PolarHBondContact O-N 3.35Å; E2403-C2406 WeakPolarHBondContact O-CB 3.27Å; E2403-C2406 PolarHBondContact O-N 2.92Å; E2403-I2407 HydrophobicContact CG-CD1 3.7Å; E2403-I2407 HydrophobicContact CG-CG1 4.27Å; E2403-I2407 WeakPolarHBondContact O-CG1 3.23Å; E2403-I2407 PolarHBondContact O-N 3.05Å; E2403-L2512 HydrophobicContact CB-CD2 4.1Å; E2403-L2512 HydrophobicContact CG-CD2 3.91Å |
| 2404 | T | 93.3 | Very high | 93.1 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 9% | 0.092 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.7 | -40.5 | -179.7 | -45.8 | 0 | 0 | 0 | 0 | 112.4 | F2331 W2398 Q2401 C2406 I2407 I2408 | F2331-T2404 HydrophobicContact CB-CG2 4.1Å; F2331-T2404 HydrophobicContact CD2-CG2 3.75Å; F2331-T2404 HydrophobicContact CG-CG2 4.34Å; W2398-T2404 HydrophobicContact CB-CG2 4.26Å; W2398-T2404 HydrophobicContact CD2-CG2 3.88Å; W2398-T2404 HydrophobicContact CE3-CG2 3.55Å; W2398-T2404 HydrophobicContact CG-CG2 4.19Å; W2398-T2404 HydrophobicContact CZ3-CG2 4.14Å; Q2401-T2404 PolarHBondContact O-N 3.12Å; Q2401-T2404 PolarHBondContact OE1-OG1 2.83Å; T2404-C2406 VanDerWaalsContact C-N 3.33Å; T2404-C2406 PolarHBondContact O-N 3.02Å; T2404-I2407 PolarHBondContact O-N 3.14Å; T2404-I2408 HydrophobicContact CG2-CD1 3.97Å; T2404-I2408 HydrophobicContact CG2-CG1 4.44Å; T2404-I2408 WeakPolarHBondContact O-CB 3.44Å; T2404-I2408 VanDerWaalsContact O-CG1 3.28Å; T2404-I2408 WeakPolarHBondContact O-CG1 3.34Å; T2404-I2408 PolarHBondContact O-N 2.86Å |
| 2405 | A | 93.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.9 | -42.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F2395 Q2401 E2403 I2408 M2409 Y2457 | F2395-A2405 HydrophobicContact CE2-CB 4.1Å; F2395-A2405 HydrophobicContact CZ-CB 4.33Å; Q2401-A2405 WeakPolarHBondContact O-CB 3.21Å; Q2401-A2405 PolarHBondContact O-N 2.88Å; E2403-A2405 VanDerWaalsContact C-N 3.31Å; E2403-A2405 PolarHBondContact O-N 3.35Å; A2405-I2408 PolarHBondContact O-N 3.16Å; A2405-M2409 VanDerWaalsContact O-CE 3.3Å; A2405-M2409 WeakPolarHBondContact O-CE 3.29Å; A2405-M2409 WeakPolarHBondContact O-CG 3.32Å; A2405-M2409 PolarHBondContact O-N 2.89Å; A2405-M2409 VanDerWaalsContact O-N 3.11Å; A2405-Y2457 HydrophobicContact CB-CD2 3.72Å; A2405-Y2457 HydrophobicContact CB-CE2 3.63Å |
| 2406 | C | 94.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.6 | -46.7 | 175.6 | -64.7 | 0 | 0 | 0 | 0 | 111.5 | Q2402 E2403 T2404 I2408 M2409 N2410 L2509 L2512 C2513 | Q2402-C2406 PolarHBondContact O-N 2.79Å; Q2402-C2406 VanDerWaalsContact O-N 3.13Å; Q2402-C2406 PolarHBondContact O-SG 3.04Å; E2403-C2406 WeakPolarHBondContact O-CB 3.27Å; E2403-C2406 PolarHBondContact O-N 2.92Å; T2404-C2406 VanDerWaalsContact C-N 3.33Å; T2404-C2406 PolarHBondContact O-N 3.02Å; C2406-I2408 PolarHBondContact O-N 3.34Å; C2406-M2409 PolarHBondContact O-N 3.1Å; C2406-N2410 WeakPolarHBondContact O-CB 3.23Å; C2406-N2410 PolarHBondContact O-N 3.08Å; C2406-N2410 PolarHBondContact O-ND2 3.02Å; C2406-N2410 VanDerWaalsContact O-ND2 3.15Å; C2406-L2509 VanDerWaalsContact SG-CD2 3.56Å; C2406-L2512 HydrophobicContact CB-CB 3.72Å; C2406-C2513 PolarHBondContact SG-SG 3.21Å |
| 2407 | I | 94.3 | Very high | 93.7 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.015 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.6 | -44.2 | 178.8 | -65.1 | 168.6 | 0 | 0 | 0 | 110.8 | F2331 R2333 E2403 T2404 M2409 N2410 N2411 | F2331-I2407 HydrophobicContact CB-CG2 4.33Å; F2331-I2407 VanDerWaalsContact O-CD1 3.3Å; F2331-I2407 WeakPolarHBondContact O-CD1 3.35Å; R2333-I2407 HydrophobicContact CG-CD1 3.66Å; R2333-I2407 HydrophobicContact CG-CG1 4.14Å; E2403-I2407 HydrophobicContact CG-CD1 3.7Å; E2403-I2407 HydrophobicContact CG-CG1 4.27Å; E2403-I2407 WeakPolarHBondContact O-CG1 3.23Å; E2403-I2407 PolarHBondContact O-N 3.05Å; T2404-I2407 PolarHBondContact O-N 3.14Å; I2407-M2409 VanDerWaalsContact C-N 3.34Å; I2407-M2409 PolarHBondContact O-N 3.24Å; I2407-N2410 CarbonylContact O-C 3.54Å; I2407-N2410 WeakPolarHBondContact O-CA 3.41Å; I2407-N2410 WeakPolarHBondContact O-CB 3.24Å; I2407-N2410 PolarHBondContact O-N 3.14Å; I2407-N2410 VanDerWaalsContact O-N 3.14Å; I2407-N2411 VanDerWaalsContact O-CG 3.25Å; I2407-N2411 PolarHBondContact O-N 3.02Å; I2407-N2411 PolarHBondContact O-OD1 3.2Å; I2407-N2411 VanDerWaalsContact O-OD1 3.08Å |
| 2408 | I | 94.8 | Very high | 93.9 | Very high | 0.5 Ų | 0.5 | 31.9 Ų | 31.9 | 0% | 0.003 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.1 | -38.9 | 177.7 | -68.6 | 168 | 0 | 0 | 0 | 111.8 | F2331 V2391 F2395 W2398 T2404 A2405 C2406 N2411 I2412 | F2331-I2408 HydrophobicContact CD1-CG1 4.35Å; F2331-I2408 HydrophobicContact CD2-CD1 3.95Å; F2331-I2408 HydrophobicContact CD2-CG1 4.23Å; F2331-I2408 HydrophobicContact CE2-CD1 3.98Å; F2331-I2408 HydrophobicContact CE2-CG1 4.48Å; F2331-I2408 HydrophobicContact CG-CD1 4.38Å; F2331-I2408 HydrophobicContact CG-CG1 4.14Å; F2331-I2408 HydrophobicContact CZ-CD1 4.43Å; V2391-I2408 HydrophobicContact CB-CG2 4.39Å; V2391-I2408 HydrophobicContact CG1-CG2 3.38Å; V2391-I2408 VanDerWaalsContact CG1-CG2 3.42Å; V2391-I2408 HydrophobicContact CG2-CG2 4.23Å; F2395-I2408 HydrophobicContact CD2-CB 4.34Å; F2395-I2408 HydrophobicContact CD2-CG2 3.84Å; F2395-I2408 HydrophobicContact CE2-CB 4.47Å; F2395-I2408 HydrophobicContact CE2-CG2 4.31Å; W2398-I2408 HydrophobicContact CB-CD1 3.87Å; W2398-I2408 HydrophobicContact CD2-CD1 4.49Å; W2398-I2408 HydrophobicContact CG-CD1 3.77Å; T2404-I2408 HydrophobicContact CG2-CD1 3.97Å; T2404-I2408 HydrophobicContact CG2-CG1 4.44Å; T2404-I2408 WeakPolarHBondContact O-CB 3.44Å; T2404-I2408 VanDerWaalsContact O-CG1 3.28Å; T2404-I2408 WeakPolarHBondContact O-CG1 3.34Å; T2404-I2408 PolarHBondContact O-N 2.86Å; A2405-I2408 PolarHBondContact O-N 3.16Å; C2406-I2408 PolarHBondContact O-N 3.34Å; I2408-N2411 WeakPolarHBondContact O-CB 3.34Å; I2408-N2411 PolarHBondContact O-N 2.92Å; I2408-I2412 PolarHBondContact O-N 3.37Å |
| 2409 | M | 95.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.9 | -39.4 | 173.2 | -72.3 | -176.3 | -76 | 0 | 0 | 112 | F2395 A2405 C2406 I2407 N2411 I2412 Q2413 L2453 Y2457 V2517 L2521 | F2395-M2409 HydrophobicContact CE2-CG 4.07Å; F2395-M2409 HydrophobicContact CZ-CE 4.37Å; F2395-M2409 HydrophobicContact CZ-CG 4.1Å; F2395-M2409 HydrophobicContact CZ-SD 4.18Å; A2405-M2409 VanDerWaalsContact O-CE 3.3Å; A2405-M2409 WeakPolarHBondContact O-CE 3.29Å; A2405-M2409 WeakPolarHBondContact O-CG 3.32Å; A2405-M2409 PolarHBondContact O-N 2.89Å; A2405-M2409 VanDerWaalsContact O-N 3.11Å; C2406-M2409 PolarHBondContact O-N 3.1Å; I2407-M2409 VanDerWaalsContact C-N 3.34Å; I2407-M2409 PolarHBondContact O-N 3.24Å; M2409-N2411 VanDerWaalsContact C-N 3.28Å; M2409-N2411 PolarHBondContact O-N 3.05Å; M2409-I2412 PolarHBondContact O-N 2.75Å; M2409-Q2413 PolarHBondContact O-N 3.1Å; M2409-Q2413 VanDerWaalsContact O-N 3.14Å; M2409-L2453 HydrophobicContact CG-CB 3.84Å; M2409-L2453 HydrophobicContact CG-CD1 4.29Å; M2409-L2453 HydrophobicContact SD-CB 4.28Å; M2409-Y2457 HydrophobicContact CE-CD1 4.27Å; M2409-Y2457 HydrophobicContact CE-CG 4.15Å; M2409-V2517 HydrophobicContact CB-CG1 3.64Å; M2409-V2517 HydrophobicContact CB-CG2 4.32Å; M2409-V2517 HydrophobicContact CE-CG1 4.43Å; M2409-V2517 HydrophobicContact CG-CG1 4.45Å; M2409-V2517 HydrophobicContact SD-CG1 4.16Å; M2409-L2521 HydrophobicContact CE-CD1 3.84Å; M2409-L2521 HydrophobicContact CE-CD2 4.09Å; M2409-L2521 HydrophobicContact CE-CG 4.41Å; M2409-L2521 HydrophobicContact SD-CD1 4.4Å; M2409-L2521 HydrophobicContact SD-CD2 4.01Å; M2409-L2521 HydrophobicContact SD-CG 4.41Å |
| 2410 | N | 95.6 | Very high | 94.4 | Very high | 3.5 Ų | 3.5 | 34.5 Ų | 34.5 | 2% | 0.019 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.7 | -31.9 | 174 | -63.5 | -29.8 | 0 | 0 | 0 | 111.9 | L2339 F2340 C2406 I2407 Q2413 Q2414 L2512 E2514 | L2339-N2410 HydrophobicContact CB-CB 4.41Å; L2339-N2410 WeakPolarHBondContact CB-ND2 3.4Å; L2339-N2410 WeakPolarHBondContact O-CB 3.3Å; L2339-N2410 PolarHBondContact O-ND2 3.17Å; F2340-N2410 HydrophobicContact CB-CB 4.48Å; C2406-N2410 WeakPolarHBondContact O-CB 3.23Å; C2406-N2410 PolarHBondContact O-N 3.08Å; C2406-N2410 PolarHBondContact O-ND2 3.02Å; C2406-N2410 VanDerWaalsContact O-ND2 3.15Å; I2407-N2410 CarbonylContact O-C 3.54Å; I2407-N2410 WeakPolarHBondContact O-CA 3.41Å; I2407-N2410 WeakPolarHBondContact O-CB 3.24Å; I2407-N2410 PolarHBondContact O-N 3.14Å; I2407-N2410 VanDerWaalsContact O-N 3.14Å; N2410-Q2413 CarbonylContact O-C 3.6Å; N2410-Q2413 PolarHBondContact O-N 3.08Å; N2410-Q2414 WeakPolarHBondContact O-CB 3.3Å; N2410-Q2414 PolarHBondContact O-N 3.36Å; N2410-L2512 PolarHBondContact ND2-O 2.86Å; N2410-E2514 PolarHBondContact OD1-N 3.26Å |
| 2411 | N | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.1 | -50.7 | 175.6 | -71 | -3.4 | 0 | 0 | 0 | 111.1 | F2340 S2341 V2344 Y2387 I2407 I2408 M2409 Q2413 Q2414 L2415 | F2340-N2411 VanDerWaalsContact CA-OD1 3.23Å; F2340-N2411 WeakPolarHBondContact CA-OD1 3.43Å; F2340-N2411 VanDerWaalsContact CB-OD1 3.25Å; F2340-N2411 WeakPolarHBondContact CB-OD1 3.37Å; S2341-N2411 PolarHBondContact N-OD1 3.23Å; S2341-N2411 PolarHBondContact OG-ND2 3.23Å; S2341-N2411 PolarHBondContact OG-OD1 3.33Å; V2344-N2411 HydrophobicContact CG2-CB 3.62Å; Y2387-N2411 HydrophobicContact CE1-CB 4.28Å; Y2387-N2411 PolarHBondContact OH-ND2 3.15Å; Y2387-N2411 VanDerWaalsContact OH-ND2 3.09Å; I2407-N2411 VanDerWaalsContact O-CG 3.25Å; I2407-N2411 PolarHBondContact O-N 3.02Å; I2407-N2411 PolarHBondContact O-OD1 3.2Å; I2407-N2411 VanDerWaalsContact O-OD1 3.08Å; I2408-N2411 WeakPolarHBondContact O-CB 3.34Å; I2408-N2411 PolarHBondContact O-N 2.92Å; M2409-N2411 VanDerWaalsContact C-N 3.28Å; M2409-N2411 PolarHBondContact O-N 3.05Å; N2411-Q2413 VanDerWaalsContact C-N 3.27Å; N2411-Q2413 PolarHBondContact O-N 3.2Å; N2411-Q2414 CarbonylContact O-C 3.52Å; N2411-Q2414 WeakPolarHBondContact O-CA 3.11Å; N2411-Q2414 WeakPolarHBondContact O-CB 3.34Å; N2411-Q2414 PolarHBondContact O-N 3.01Å; N2411-Q2414 VanDerWaalsContact O-N 3.1Å; N2411-L2415 WeakPolarHBondContact O-CG 3.37Å; N2411-L2415 PolarHBondContact O-N 3.12Å |
| 2412 | I | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.7 | -39.2 | 177.9 | -56.9 | -57.4 | 0 | 0 | 0 | 111 | Y2387 A2388 V2391 I2408 M2409 Q2414 L2415 R2416 L2446 V2449 I2450 L2453 | Y2387-I2412 HydrophobicContact CD1-CD1 3.85Å; Y2387-I2412 HydrophobicContact CE1-CD1 4Å; A2388-I2412 HydrophobicContact CB-CD1 4.15Å; V2391-I2412 HydrophobicContact CB-CD1 4.01Å; V2391-I2412 HydrophobicContact CG1-CD1 3.95Å; V2391-I2412 HydrophobicContact CG1-CG1 3.98Å; V2391-I2412 HydrophobicContact CG2-CD1 3.99Å; I2408-I2412 PolarHBondContact O-N 3.37Å; M2409-I2412 PolarHBondContact O-N 2.75Å; I2412-Q2414 VanDerWaalsContact C-N 3.34Å; I2412-L2415 HydrophobicContact CD1-CD1 3.94Å; I2412-L2415 WeakPolarHBondContact O-CB 3.41Å; I2412-L2415 PolarHBondContact O-N 3.42Å; I2412-R2416 PolarHBondContact O-N 3.25Å; I2412-L2446 HydrophobicContact CG2-CD2 4.48Å; I2412-V2449 HydrophobicContact CD1-CG1 4.48Å; I2412-V2449 HydrophobicContact CG1-CG1 4.3Å; I2412-V2449 HydrophobicContact CG2-CB 4.3Å; I2412-V2449 HydrophobicContact CG2-CG1 4.16Å; I2412-I2450 HydrophobicContact CB-CG1 3.96Å; I2412-I2450 HydrophobicContact CG2-CD1 4.15Å; I2412-I2450 HydrophobicContact CG2-CG1 3.49Å; I2412-I2450 VanDerWaalsContact CG2-CG1 3.43Å; I2412-L2453 HydrophobicContact CG1-CD1 3.88Å |
| 2413 | Q | 96 | Very high | 94.9 | Very high | 8.5 Ų | 8.5 | 26.1 Ų | 26.1 | 4% | 0.04 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.7 | -39.7 | 174.2 | 172.5 | 55.7 | 19 | 0 | 0 | 112.3 | M2409 N2410 N2411 L2415 R2416 V2417 I2450 E2514 T2516 V2517 | M2409-Q2413 PolarHBondContact O-N 3.1Å; M2409-Q2413 VanDerWaalsContact O-N 3.14Å; N2410-Q2413 CarbonylContact O-C 3.6Å; N2410-Q2413 PolarHBondContact O-N 3.08Å; N2411-Q2413 VanDerWaalsContact C-N 3.27Å; N2411-Q2413 PolarHBondContact O-N 3.2Å; Q2413-L2415 VanDerWaalsContact C-N 3.32Å; Q2413-L2415 PolarHBondContact O-N 3.06Å; Q2413-R2416 WeakPolarHBondContact O-CB 3.28Å; Q2413-R2416 PolarHBondContact O-N 3.13Å; Q2413-R2416 VanDerWaalsContact O-N 3.14Å; Q2413-V2417 PolarHBondContact O-N 3.21Å; Q2413-I2450 HydrophobicContact CB-CD1 3.89Å; Q2413-E2514 VanDerWaalsContact CD-OE2 3.27Å; Q2413-E2514 HydrophobicContact CG-CB 4.46Å; Q2413-E2514 HydrophobicContact CG-CG 4.45Å; Q2413-E2514 WeakPolarHBondContact CG-OE2 3.27Å; Q2413-E2514 PolarHBondContact NE2-OE2 3.17Å; Q2413-T2516 PolarHBondContact NE2-OG1 2.78Å; Q2413-V2517 HydrophobicContact CB-CG2 3.8Å; Q2413-V2517 HydrophobicContact CG-CG2 4.17Å |
| 2414 | Q | 96.1 | Very high | 95 | Very high | 26 Ų | 26 | 27.4 Ų | 27.4 | 12% | 0.121 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.1 | -32.2 | 174.1 | -175.1 | 66.9 | -1.6 | 0 | 0 | 111.9 | F2340 V2344 N2410 N2411 I2412 R2416 V2417 Q2418 | F2340-Q2414 HydrophobicContact CB-CB 4.09Å; F2340-Q2414 HydrophobicContact CB-CG 4.38Å; F2340-Q2414 HydrophobicContact CD1-CB 3.91Å; F2340-Q2414 HydrophobicContact CD1-CG 3.6Å; F2340-Q2414 HydrophobicContact CD2-CG 4.03Å; F2340-Q2414 HydrophobicContact CE1-CB 4.46Å; F2340-Q2414 VanDerWaalsContact CE1-CD 3.49Å; F2340-Q2414 HydrophobicContact CE1-CG 3.81Å; F2340-Q2414 HydrophobicContact CE2-CG 4.22Å; F2340-Q2414 HydrophobicContact CG-CB 3.95Å; F2340-Q2414 HydrophobicContact CG-CG 3.73Å; F2340-Q2414 HydrophobicContact CZ-CG 4.12Å; V2344-Q2414 HydrophobicContact CG1-CB 4.03Å; V2344-Q2414 HydrophobicContact CG1-CG 3.56Å; N2410-Q2414 WeakPolarHBondContact O-CB 3.3Å; N2410-Q2414 PolarHBondContact O-N 3.36Å; N2411-Q2414 CarbonylContact O-C 3.52Å; N2411-Q2414 WeakPolarHBondContact O-CA 3.11Å; N2411-Q2414 WeakPolarHBondContact O-CB 3.34Å; N2411-Q2414 PolarHBondContact O-N 3.01Å; N2411-Q2414 VanDerWaalsContact O-N 3.1Å; I2412-Q2414 VanDerWaalsContact C-N 3.34Å; Q2414-R2416 VanDerWaalsContact C-N 3.25Å; Q2414-R2416 PolarHBondContact O-N 3.06Å; Q2414-V2417 PolarHBondContact O-N 2.82Å; Q2414-Q2418 HydrophobicContact CG-CG 4.14Å; Q2414-Q2418 WeakPolarHBondContact O-CB 3.41Å; Q2414-Q2418 VanDerWaalsContact O-CG 3.29Å; Q2414-Q2418 WeakPolarHBondContact O-CG 3.42Å; Q2414-Q2418 PolarHBondContact O-N 3.02Å |
| 2415 | L | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.9 | -41.8 | 170.6 | -57.1 | -174.8 | 0 | 0 | 0 | 111 | V2344 F2348 L2384 Y2387 N2411 I2412 Q2413 L2419 L2446 | V2344-L2415 HydrophobicContact CB-CD2 4.42Å; V2344-L2415 HydrophobicContact CG1-CD2 3.9Å; V2344-L2415 HydrophobicContact CG2-CD2 4.04Å; F2348-L2415 HydrophobicContact CD2-CD2 4.42Å; F2348-L2415 HydrophobicContact CE2-CB 4.36Å; F2348-L2415 HydrophobicContact CE2-CD2 3.8Å; F2348-L2415 WeakPolarHBondContact CZ-O 3.33Å; L2384-L2415 HydrophobicContact CD2-CD1 4.43Å; L2384-L2415 HydrophobicContact CD2-CD2 4.12Å; Y2387-L2415 HydrophobicContact CD1-CD1 3.63Å; Y2387-L2415 HydrophobicContact CD1-CD2 4.43Å; Y2387-L2415 HydrophobicContact CD1-CG 4.44Å; Y2387-L2415 HydrophobicContact CE1-CD1 4.23Å; Y2387-L2415 HydrophobicContact CE1-CD2 4.48Å; Y2387-L2415 HydrophobicContact CG-CD1 4.02Å; Y2387-L2415 HydrophobicContact CG-CD2 4.44Å; N2411-L2415 WeakPolarHBondContact O-CG 3.37Å; N2411-L2415 PolarHBondContact O-N 3.12Å; I2412-L2415 HydrophobicContact CD1-CD1 3.94Å; I2412-L2415 WeakPolarHBondContact O-CB 3.41Å; I2412-L2415 PolarHBondContact O-N 3.42Å; Q2413-L2415 VanDerWaalsContact C-N 3.32Å; Q2413-L2415 PolarHBondContact O-N 3.06Å; L2415-L2419 WeakPolarHBondContact O-CB 3.34Å; L2415-L2419 PolarHBondContact O-N 2.94Å; L2415-L2446 HydrophobicContact CB-CD1 4.16Å; L2415-L2446 HydrophobicContact CD1-CD2 4.09Å |
| 2416 | R | 96.9 | Very high | 94.7 | Very high | 47.5 Ų | 47.5 | 29.5 Ų | 29.5 | 18% | 0.179 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.8 | -44.7 | 178.9 | -64.4 | 177.6 | 64.5 | -117.6 | -8.3 | 112.3 | I2412 Q2413 Q2414 Q2418 L2419 E2420 Q2443 L2446 I2450 | I2412-R2416 PolarHBondContact O-N 3.25Å; Q2413-R2416 WeakPolarHBondContact O-CB 3.28Å; Q2413-R2416 PolarHBondContact O-N 3.13Å; Q2413-R2416 VanDerWaalsContact O-N 3.14Å; Q2414-R2416 VanDerWaalsContact C-N 3.25Å; Q2414-R2416 PolarHBondContact O-N 3.06Å; R2416-Q2418 VanDerWaalsContact C-N 3.34Å; R2416-Q2418 PolarHBondContact O-N 3.02Å; R2416-L2419 PolarHBondContact O-N 3.23Å; R2416-E2420 PolarHBondContact O-N 3.06Å; R2416-E2420 VanDerWaalsContact O-N 3.13Å; R2416-Q2443 PolarHBondContact O-NE2 3.17Å; R2416-L2446 HydrophobicContact CG-CB 3.62Å; R2416-L2446 HydrophobicContact CG-CD1 4.11Å; R2416-I2450 VanDerWaalsContact CD-CD1 3.48Å |
| 2417 | V | 95.8 | Very high | 94.4 | Very high | 41 Ų | 41 | 30.9 Ų | 30.9 | 25% | 0.248 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.2 | -39.3 | 178.9 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | Q2413 Q2414 E2420 K2421 | Q2413-V2417 PolarHBondContact O-N 3.21Å; Q2414-V2417 PolarHBondContact O-N 2.82Å; V2417-E2420 PolarHBondContact O-N 3.38Å; V2417-K2421 PolarHBondContact O-N 3.17Å |
| 2418 | Q | 95.4 | Very high | 94.2 | Very high | 42.5 Ų | 42.5 | 31 Ų | 31 | 20% | 0.199 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -78.3 | -31.8 | 178.3 | -62.4 | -70.4 | 10.6 | 0 | 0 | 112.1 | F2348 Q2414 R2416 E2420 K2421 V2422 | F2348-Q2418 HydrophobicContact CD1-CB 3.56Å; F2348-Q2418 HydrophobicContact CD1-CG 4.49Å; F2348-Q2418 HydrophobicContact CD2-CB 3.69Å; F2348-Q2418 HydrophobicContact CD2-CG 4.2Å; F2348-Q2418 HydrophobicContact CE1-CB 3.44Å; F2348-Q2418 HydrophobicContact CE2-CB 3.59Å; F2348-Q2418 HydrophobicContact CE2-CG 4.28Å; F2348-Q2418 HydrophobicContact CG-CB 3.67Å; F2348-Q2418 HydrophobicContact CG-CG 4.29Å; F2348-Q2418 HydrophobicContact CZ-CB 3.45Å; Q2414-Q2418 HydrophobicContact CG-CG 4.14Å; Q2414-Q2418 WeakPolarHBondContact O-CB 3.41Å; Q2414-Q2418 VanDerWaalsContact O-CG 3.29Å; Q2414-Q2418 WeakPolarHBondContact O-CG 3.42Å; Q2414-Q2418 PolarHBondContact O-N 3.02Å; R2416-Q2418 VanDerWaalsContact C-N 3.34Å; R2416-Q2418 PolarHBondContact O-N 3.02Å; Q2418-E2420 VanDerWaalsContact C-N 3.32Å; Q2418-E2420 PolarHBondContact O-N 3.09Å; Q2418-K2421 WeakPolarHBondContact O-CB 3.44Å; Q2418-K2421 PolarHBondContact O-N 3.17Å; Q2418-V2422 WeakPolarHBondContact O-CG2 3.3Å; Q2418-V2422 PolarHBondContact O-N 2.82Å |
| 2419 | L | 96 | Very high | 93.7 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.4 | -40.2 | 172.4 | 173.8 | 61 | 0 | 0 | 0 | 111.8 | F2348 V2380 L2384 L2415 R2416 K2421 V2422 F2423 M2439 L2442 Q2443 L2446 | F2348-L2419 HydrophobicContact CZ-CB 4.33Å; V2380-L2419 HydrophobicContact CG1-CD1 3.68Å; L2384-L2419 HydrophobicContact CD1-CB 4.11Å; L2384-L2419 HydrophobicContact CD1-CD1 3.96Å; L2384-L2419 HydrophobicContact CD1-CD2 4.22Å; L2384-L2419 HydrophobicContact CD1-CG 4.33Å; L2415-L2419 WeakPolarHBondContact O-CB 3.34Å; L2415-L2419 PolarHBondContact O-N 2.94Å; R2416-L2419 PolarHBondContact O-N 3.23Å; L2419-K2421 VanDerWaalsContact C-N 3.3Å; L2419-K2421 PolarHBondContact O-N 3.19Å; L2419-V2422 PolarHBondContact O-N 3.16Å; L2419-F2423 WeakPolarHBondContact O-CB 3.41Å; L2419-F2423 PolarHBondContact O-N 3.35Å; L2419-M2439 HydrophobicContact CD1-CE 4.4Å; L2419-M2439 HydrophobicContact CD1-SD 3.71Å; L2419-L2442 HydrophobicContact CD1-CD2 3.85Å; L2419-L2442 HydrophobicContact CD2-CB 4.21Å; L2419-L2442 HydrophobicContact CD2-CD2 3.61Å; L2419-L2442 HydrophobicContact CD2-CG 3.61Å; L2419-L2442 HydrophobicContact CG-CD2 4.41Å; L2419-Q2443 HydrophobicContact CD2-CG 3.86Å; L2419-Q2443 HydrophobicContact CG-CG 4.43Å; L2419-L2446 HydrophobicContact CD2-CD1 3.85Å |
| 2420 | E | 94.5 | Very high | 93.4 | Very high | 112.5 Ų | 112.5 | 43.2 Ų | 43.2 | 53% | 0.526 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.5 | -41.2 | 174.5 | -171.4 | 167.7 | -152.5 | 0 | 0 | 111.6 | R2416 V2417 Q2418 F2423 E2424 | R2416-E2420 PolarHBondContact O-N 3.06Å; R2416-E2420 VanDerWaalsContact O-N 3.13Å; V2417-E2420 PolarHBondContact O-N 3.38Å; Q2418-E2420 VanDerWaalsContact C-N 3.32Å; Q2418-E2420 PolarHBondContact O-N 3.09Å; E2420-F2423 WeakPolarHBondContact O-CB 3.36Å; E2420-F2423 PolarHBondContact O-N 3.24Å; E2420-E2424 WeakPolarHBondContact O-CG 3.34Å; E2420-E2424 PolarHBondContact O-N 3.11Å |
| 2421 | K | 93.7 | Very high | 92.9 | Very high | 113 Ų | 113 | 43.8 Ų | 43.8 | 49% | 0.491 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.4 | -38.3 | 174.5 | -63 | 177.5 | -168.6 | 167.6 | 0 | 113.1 | V2417 Q2418 L2419 F2423 E2424 A2425 | V2417-K2421 PolarHBondContact O-N 3.17Å; Q2418-K2421 WeakPolarHBondContact O-CB 3.44Å; Q2418-K2421 PolarHBondContact O-N 3.17Å; L2419-K2421 VanDerWaalsContact C-N 3.3Å; L2419-K2421 PolarHBondContact O-N 3.19Å; K2421-F2423 VanDerWaalsContact C-N 3.32Å; K2421-E2424 PolarHBondContact O-N 3.18Å; K2421-A2425 VanDerWaalsContact O-CB 3.29Å; K2421-A2425 WeakPolarHBondContact O-CB 3.31Å; K2421-A2425 PolarHBondContact O-N 3.43Å |
| 2422 | V | 93 | Very high | 92.5 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.6 | -39.4 | 174.6 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | F2348 F2376 Q2418 L2419 A2425 M2426 | F2348-V2422 HydrophobicContact CD1-CG2 3.86Å; F2348-V2422 HydrophobicContact CE1-CG2 3.81Å; F2376-V2422 HydrophobicContact CE1-CG1 4.23Å; Q2418-V2422 WeakPolarHBondContact O-CG2 3.3Å; Q2418-V2422 PolarHBondContact O-N 2.82Å; L2419-V2422 PolarHBondContact O-N 3.16Å; V2422-A2425 PolarHBondContact O-N 2.78Å; V2422-M2426 HydrophobicContact CG1-CE 4.2Å; V2422-M2426 HydrophobicContact CG1-CG 4.43Å; V2422-M2426 HydrophobicContact CG1-SD 4.39Å; V2422-M2426 WeakPolarHBondContact O-CB 3.23Å; V2422-M2426 VanDerWaalsContact O-CG 3.28Å; V2422-M2426 WeakPolarHBondContact O-CG 3.38Å; V2422-M2426 PolarHBondContact O-N 3.13Å |
| 2423 | F | 93.6 | Very high | 92.1 | Very high | 38.5 Ų | 38.5 | 53.4 Ų | 53.4 | 17% | 0.169 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60 | -49.6 | 174.4 | 170 | -103.1 | 0 | 0 | 0 | 112.2 | L2419 E2420 K2421 A2425 M2426 G2427 G2428 L2431 M2439 | L2419-F2423 WeakPolarHBondContact O-CB 3.41Å; L2419-F2423 PolarHBondContact O-N 3.35Å; E2420-F2423 WeakPolarHBondContact O-CB 3.36Å; E2420-F2423 PolarHBondContact O-N 3.24Å; K2421-F2423 VanDerWaalsContact C-N 3.32Å; F2423-A2425 VanDerWaalsContact C-N 3.34Å; F2423-A2425 PolarHBondContact O-N 2.84Å; F2423-M2426 PolarHBondContact O-N 3.05Å; F2423-G2427 PolarHBondContact O-N 3.33Å; F2423-G2428 WeakPolarHBondContact CE2-O 3.47Å; F2423-G2428 VanDerWaalsContact CZ-C 3.44Å; F2423-G2428 WeakPolarHBondContact CZ-O 3.4Å; F2423-G2428 WeakPolarHBondContact O-CA 3.33Å; F2423-G2428 PolarHBondContact O-N 3.17Å; F2423-L2431 HydrophobicContact CD2-CD1 3.84Å; F2423-L2431 HydrophobicContact CE2-CD1 3.83Å; F2423-M2439 HydrophobicContact CD2-CB 3.85Å; F2423-M2439 HydrophobicContact CD2-CG 3.98Å; F2423-M2439 HydrophobicContact CE2-CB 4.31Å |
| 2424 | E | 92.7 | Very high | 91.7 | Very high | 120.5 Ų | 120.5 | 58.7 Ų | 58.7 | 56% | 0.563 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -62.1 | -42.2 | 174.7 | -70.1 | -116.7 | 152.4 | 0 | 0 | 111.8 | E2420 K2421 M2426 G2427 | E2420-E2424 WeakPolarHBondContact O-CG 3.34Å; E2420-E2424 PolarHBondContact O-N 3.11Å; K2421-E2424 PolarHBondContact O-N 3.18Å; E2424-M2426 VanDerWaalsContact C-N 3.29Å; E2424-M2426 PolarHBondContact O-N 2.86Å; E2424-G2427 PolarHBondContact O-N 3.41Å; E2424-G2427 VanDerWaalsContact O-N 3.11Å |
| 2425 | A | 90.9 | Very high | 91.4 | Very high | 49 Ų | 49 | 57.5 Ų | 57.5 | 41% | 0.405 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.9 | -33.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | F2355 K2421 V2422 F2423 G2427 | F2355-A2425 HydrophobicContact CD1-CB 4.46Å; F2355-A2425 HydrophobicContact CE1-CB 3.9Å; F2355-A2425 WeakPolarHBondContact CE1-O 3.32Å; F2355-A2425 HydrophobicContact CZ-CB 4.44Å; F2355-A2425 WeakPolarHBondContact CZ-O 3.35Å; K2421-A2425 VanDerWaalsContact O-CB 3.29Å; K2421-A2425 WeakPolarHBondContact O-CB 3.31Å; K2421-A2425 PolarHBondContact O-N 3.43Å; V2422-A2425 PolarHBondContact O-N 2.78Å; F2423-A2425 VanDerWaalsContact C-N 3.34Å; F2423-A2425 PolarHBondContact O-N 2.84Å; A2425-G2427 VanDerWaalsContact C-N 3.32Å; A2425-G2427 PolarHBondContact O-N 3.05Å |
| 2426 | M | 89.6 | Confident | 91.1 | Very high | 11 Ų | 11 | 60.2 Ų | 60.2 | 5% | 0.054 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.3 | -16.7 | 174.6 | -74.2 | -172.8 | -58.6 | 0 | 0 | 113.7 | F2355 L2373 F2376 V2422 F2423 E2424 L2431 M2439 | F2355-M2426 HydrophobicContact CD2-CG 3.91Å; F2355-M2426 HydrophobicContact CE2-CB 4.25Å; F2355-M2426 HydrophobicContact CE2-CG 3.59Å; F2355-M2426 HydrophobicContact CZ-CB 4.49Å; F2355-M2426 HydrophobicContact CZ-CG 4.15Å; L2373-M2426 HydrophobicContact CD2-CB 4.4Å; L2373-M2426 HydrophobicContact CD2-CG 4.27Å; F2376-M2426 HydrophobicContact CD1-CG 4.46Å; F2376-M2426 HydrophobicContact CD1-SD 3.64Å; F2376-M2426 HydrophobicContact CE1-CG 4.44Å; F2376-M2426 HydrophobicContact CE1-SD 3.89Å; V2422-M2426 HydrophobicContact CG1-CE 4.2Å; V2422-M2426 HydrophobicContact CG1-CG 4.43Å; V2422-M2426 HydrophobicContact CG1-SD 4.39Å; V2422-M2426 WeakPolarHBondContact O-CB 3.23Å; V2422-M2426 VanDerWaalsContact O-CG 3.28Å; V2422-M2426 WeakPolarHBondContact O-CG 3.38Å; V2422-M2426 PolarHBondContact O-N 3.13Å; F2423-M2426 PolarHBondContact O-N 3.05Å; E2424-M2426 VanDerWaalsContact C-N 3.29Å; E2424-M2426 PolarHBondContact O-N 2.86Å; M2426-L2431 HydrophobicContact CB-CD1 3.99Å; M2426-L2431 HydrophobicContact CB-CD2 4.17Å; M2426-L2431 HydrophobicContact CE-CD1 4.34Å; M2426-L2431 WeakPolarHBondContact O-CD2 3.38Å; M2426-M2439 HydrophobicContact CE-CE 4.05Å; M2426-M2439 HydrophobicContact CE-CG 4.05Å; M2426-M2439 HydrophobicContact CE-SD 3.71Å |
| 2427 | G | 87.3 | Confident | 90.8 | Very high | 29.5 Ų | 29.5 | 60.6 Ų | 60.6 | 30% | 0.304 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 128.8 | -1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | F2423 E2424 A2425 S2429 I2430 | F2423-G2427 PolarHBondContact O-N 3.33Å; E2424-G2427 PolarHBondContact O-N 3.41Å; E2424-G2427 VanDerWaalsContact O-N 3.11Å; A2425-G2427 VanDerWaalsContact C-N 3.32Å; A2425-G2427 PolarHBondContact O-N 3.05Å; G2427-S2429 PolarHBondContact O-N 3.11Å; G2427-I2430 WeakPolarHBondContact O-CB 3.29Å; G2427-I2430 PolarHBondContact O-N 2.85Å |
| 2428 | G | 90 | Very high | 90.6 | Very high | 4.5 Ų | 4.5 | 60 Ų | 60 | 5% | 0.046 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | 53.8 | -121 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F2423 I2430 L2431 | F2423-G2428 WeakPolarHBondContact CE2-O 3.47Å; F2423-G2428 VanDerWaalsContact CZ-C 3.44Å; F2423-G2428 WeakPolarHBondContact CZ-O 3.4Å; F2423-G2428 WeakPolarHBondContact O-CA 3.33Å; F2423-G2428 PolarHBondContact O-N 3.17Å; G2428-I2430 PolarHBondContact O-N 3.2Å; G2428-I2430 VanDerWaalsContact O-N 3.1Å; G2428-L2431 WeakPolarHBondContact O-CB 3.08Å; G2428-L2431 WeakPolarHBondContact O-CG 3.49Å; G2428-L2431 PolarHBondContact O-N 3.05Å |
| 2429 | S | 86.3 | Confident | 90.5 | Very high | 106.5 Ų | 106.5 | 58.1 Ų | 58.1 | 75% | 0.745 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -68 | -7.7 | -179.5 | 59.7 | 0 | 0 | 0 | 0 | 115.8 | G2427 L2431 | G2427-S2429 PolarHBondContact O-N 3.11Å; S2429-L2431 VanDerWaalsContact C-N 3.34Å |
| 2430 | I | 87 | Confident | 90.3 | Very high | 150 Ų | 150 | 61.5 Ų | 61.5 | 77% | 0.769 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -86.6 | -12.5 | 178.7 | -52.4 | 172.2 | 0 | 0 | 0 | 111.3 | G2427 G2428 | G2427-I2430 WeakPolarHBondContact O-CB 3.29Å; G2427-I2430 PolarHBondContact O-N 2.85Å; G2428-I2430 PolarHBondContact O-N 3.2Å; G2428-I2430 VanDerWaalsContact O-N 3.1Å |
| 2431 | L | 86.7 | Confident | 90.2 | Very high | 16.5 Ų | 16.5 | 59.5 Ų | 59.5 | 9% | 0.086 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -64 | 146.1 | 178.8 | -69.1 | 171 | 0 | 0 | 0 | 112.3 | L2373 F2423 M2426 G2428 S2429 T2435 | L2373-L2431 HydrophobicContact CB-CD2 4.36Å; L2373-L2431 HydrophobicContact CD1-CD2 3.82Å; F2423-L2431 HydrophobicContact CD2-CD1 3.84Å; F2423-L2431 HydrophobicContact CE2-CD1 3.83Å; M2426-L2431 HydrophobicContact CB-CD1 3.99Å; M2426-L2431 HydrophobicContact CB-CD2 4.17Å; M2426-L2431 HydrophobicContact CE-CD1 4.34Å; M2426-L2431 WeakPolarHBondContact O-CD2 3.38Å; G2428-L2431 WeakPolarHBondContact O-CB 3.08Å; G2428-L2431 WeakPolarHBondContact O-CG 3.49Å; G2428-L2431 PolarHBondContact O-N 3.05Å; S2429-L2431 VanDerWaalsContact C-N 3.34Å; L2431-T2435 HydrophobicContact CB-CG2 4.41Å; L2431-T2435 HydrophobicContact CD1-CG2 4.22Å; L2431-T2435 HydrophobicContact CD2-CG2 4.26Å |
| 2432 | C | 87.4 | Confident | 90.3 | Very high | 33.5 Ų | 33.5 | 54.1 Ų | 54.1 | 23% | 0.226 | 31% | 0.31 | C | S | . | . | trans | -61.8 | 152 | 176.1 | 65 | 0 | 0 | 0 | 0 | 112 | E2370 D2434 T2435 L2436 | E2370-C2432 HydrophobicContact CG-CB 4.28Å; C2432-D2434 VanDerWaalsContact C-N 3.3Å; C2432-D2434 PolarHBondContact O-N 2.99Å; C2432-T2435 WeakPolarHBondContact O-CA 3.38Å; C2432-T2435 WeakPolarHBondContact O-CB 3.46Å; C2432-T2435 PolarHBondContact O-N 3.29Å; C2432-T2435 PolarHBondContact SG-OG1 3.05Å; C2432-L2436 PolarHBondContact O-N 3.3Å | ||
| 2433 | E | 89 | Confident | 90.4 | Very high | 168.5 Ų | 168.5 | 55.6 Ų | 55.6 | 79% | 0.787 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -55.1 | -43.5 | -168.1 | -169.9 | 171.5 | -175.6 | 0 | 0 | 113.3 | T2435 L2436 S2437 | E2433-T2435 VanDerWaalsContact C-N 3.29Å; E2433-T2435 PolarHBondContact O-N 3.15Å; E2433-L2436 PolarHBondContact O-N 2.77Å; E2433-S2437 WeakPolarHBondContact O-CB 3.3Å; E2433-S2437 PolarHBondContact O-N 3.04Å |
| 2434 | D | 87.5 | Confident | 90.5 | Very high | 118.5 Ų | 118.5 | 59.9 Ų | 59.9 | 63% | 0.634 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -58 | -40.2 | 175.6 | -73.3 | -7.7 | 0 | 0 | 0 | 112.7 | N2374 C2432 A2438 | N2374-D2434 WeakPolarHBondContact ND2-CB 3.36Å; C2432-D2434 VanDerWaalsContact C-N 3.3Å; C2432-D2434 PolarHBondContact O-N 2.99Å; D2434-A2438 WeakPolarHBondContact O-CB 3.31Å; D2434-A2438 PolarHBondContact O-N 2.98Å; D2434-A2438 VanDerWaalsContact O-N 3.14Å |
| 2435 | T | 89.8 | Confident | 90.6 | Very high | 0.5 Ų | 0.5 | 58 Ų | 58 | 0% | 0.003 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -74.8 | -39.6 | -179.1 | -54.3 | 0 | 0 | 0 | 0 | 110.8 | N2374 A2377 L2431 C2432 E2433 A2438 M2439 | N2374-T2435 WeakPolarHBondContact CA-OG1 3.26Å; N2374-T2435 WeakPolarHBondContact CB-OG1 3.22Å; N2374-T2435 PolarHBondContact ND2-N 2.95Å; N2374-T2435 PolarHBondContact ND2-OG1 2.86Å; A2377-T2435 HydrophobicContact CB-CG2 3.74Å; L2431-T2435 HydrophobicContact CB-CG2 4.41Å; L2431-T2435 HydrophobicContact CD1-CG2 4.22Å; L2431-T2435 HydrophobicContact CD2-CG2 4.26Å; C2432-T2435 WeakPolarHBondContact O-CA 3.38Å; C2432-T2435 WeakPolarHBondContact O-CB 3.46Å; C2432-T2435 PolarHBondContact O-N 3.29Å; C2432-T2435 PolarHBondContact SG-OG1 3.05Å; E2433-T2435 VanDerWaalsContact C-N 3.29Å; E2433-T2435 PolarHBondContact O-N 3.15Å; T2435-A2438 PolarHBondContact O-N 2.94Å; T2435-M2439 WeakPolarHBondContact O-CG 3.35Å; T2435-M2439 PolarHBondContact O-N 2.93Å; T2435-M2439 VanDerWaalsContact O-N 3.12Å |
| 2436 | L | 90.3 | Very high | 90.9 | Very high | 57 Ų | 57 | 55.7 Ų | 55.7 | 30% | 0.298 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 176 | -175.3 | 148.2 | 0 | 0 | 0 | 111.4 | C2432 E2433 M2439 N2440 | C2432-L2436 PolarHBondContact O-N 3.3Å; E2433-L2436 PolarHBondContact O-N 2.77Å; L2436-M2439 PolarHBondContact O-N 3.38Å; L2436-N2440 WeakPolarHBondContact CD2-ND2 3.4Å; L2436-N2440 WeakPolarHBondContact O-CB 3.35Å; L2436-N2440 PolarHBondContact O-N 2.95Å; L2436-N2440 VanDerWaalsContact O-N 3.11Å; L2436-N2440 PolarHBondContact O-ND2 2.94Å; L2436-N2440 VanDerWaalsContact O-ND2 3.13Å |
| 2437 | S | 91.2 | Very high | 91.2 | Very high | 56.5 Ų | 56.5 | 56.5 Ų | 56.5 | 40% | 0.395 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.5 | -53.1 | 173 | -166.1 | 0 | 0 | 0 | 0 | 110.3 | E2433 M2439 N2440 D2441 | E2433-S2437 WeakPolarHBondContact O-CB 3.3Å; E2433-S2437 PolarHBondContact O-N 3.04Å; S2437-M2439 VanDerWaalsContact C-N 3.28Å; S2437-M2439 PolarHBondContact O-N 3.1Å; S2437-N2440 PolarHBondContact O-N 2.91Å; S2437-D2441 WeakPolarHBondContact O-CB 3.33Å; S2437-D2441 PolarHBondContact O-N 3.08Å; S2437-D2441 PolarHBondContact OG-OD2 3.11Å |
| 2438 | A | 90.6 | Very high | 91.5 | Very high | 28.5 Ų | 28.5 | 58 Ų | 58 | 24% | 0.236 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.5 | -35.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D2434 T2435 L2442 | D2434-A2438 WeakPolarHBondContact O-CB 3.31Å; D2434-A2438 PolarHBondContact O-N 2.98Å; D2434-A2438 VanDerWaalsContact O-N 3.14Å; T2435-A2438 PolarHBondContact O-N 2.94Å; A2438-L2442 VanDerWaalsContact O-CB 3.26Å; A2438-L2442 WeakPolarHBondContact O-CB 3.33Å; A2438-L2442 PolarHBondContact O-N 3.05Å; A2438-L2442 VanDerWaalsContact O-N 3.09Å |
| 2439 | M | 92.5 | Very high | 91.8 | Very high | 3.5 Ų | 3.5 | 58.7 Ų | 58.7 | 2% | 0.017 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -73.3 | -42.1 | 175.9 | -74.1 | -68.9 | 131.4 | 0 | 0 | 113.2 | A2377 V2380 L2419 F2423 M2426 T2435 L2436 S2437 L2442 Q2443 | A2377-M2439 HydrophobicContact CB-CE 3.39Å; A2377-M2439 VanDerWaalsContact CB-CE 3.48Å; A2377-M2439 VanDerWaalsContact O-CE 3.29Å; A2377-M2439 WeakPolarHBondContact O-CE 3.36Å; V2380-M2439 HydrophobicContact CB-CE 4.11Å; V2380-M2439 HydrophobicContact CG1-CE 4.16Å; L2419-M2439 HydrophobicContact CD1-CE 4.4Å; L2419-M2439 HydrophobicContact CD1-SD 3.71Å; F2423-M2439 HydrophobicContact CD2-CB 3.85Å; F2423-M2439 HydrophobicContact CD2-CG 3.98Å; F2423-M2439 HydrophobicContact CE2-CB 4.31Å; M2426-M2439 HydrophobicContact CE-CE 4.05Å; M2426-M2439 HydrophobicContact CE-CG 4.05Å; M2426-M2439 HydrophobicContact CE-SD 3.71Å; T2435-M2439 WeakPolarHBondContact O-CG 3.35Å; T2435-M2439 PolarHBondContact O-N 2.93Å; T2435-M2439 VanDerWaalsContact O-N 3.12Å; L2436-M2439 PolarHBondContact O-N 3.38Å; S2437-M2439 VanDerWaalsContact C-N 3.28Å; S2437-M2439 PolarHBondContact O-N 3.1Å; M2439-L2442 PolarHBondContact O-N 2.91Å; M2439-Q2443 PolarHBondContact O-N 3.07Å |
| 2440 | N | 92.5 | Very high | 92.2 | Very high | 70.5 Ų | 70.5 | 53.7 Ų | 53.7 | 38% | 0.377 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69.5 | -38.1 | 177 | -77.9 | -55.5 | 0 | 0 | 0 | 112.3 | L2436 S2437 L2442 Q2443 Q2444 | L2436-N2440 WeakPolarHBondContact CD2-ND2 3.4Å; L2436-N2440 WeakPolarHBondContact O-CB 3.35Å; L2436-N2440 PolarHBondContact O-N 2.95Å; L2436-N2440 VanDerWaalsContact O-N 3.11Å; L2436-N2440 PolarHBondContact O-ND2 2.94Å; L2436-N2440 VanDerWaalsContact O-ND2 3.13Å; S2437-N2440 PolarHBondContact O-N 2.91Å; N2440-L2442 VanDerWaalsContact C-N 3.32Å; N2440-L2442 PolarHBondContact O-N 2.81Å; N2440-Q2443 WeakPolarHBondContact O-CB 3.24Å; N2440-Q2443 PolarHBondContact O-N 3.33Å; N2440-Q2444 WeakPolarHBondContact O-CG 3.34Å; N2440-Q2444 PolarHBondContact O-N 3.26Å; N2440-Q2444 PolarHBondContact O-NE2 2.94Å |
| 2441 | D | 93.4 | Very high | 92.5 | Very high | 71.5 Ų | 71.5 | 49.3 Ų | 49.3 | 38% | 0.382 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 174.3 | -65.7 | -32.7 | 0 | 0 | 0 | 110.4 | S2437 Q2443 Q2444 M2445 | S2437-D2441 WeakPolarHBondContact O-CB 3.33Å; S2437-D2441 PolarHBondContact O-N 3.08Å; S2437-D2441 PolarHBondContact OG-OD2 3.11Å; D2441-Q2443 PolarHBondContact O-N 3.36Å; D2441-Q2444 PolarHBondContact O-N 3.04Å; D2441-M2445 HydrophobicContact CB-CE 4.35Å; D2441-M2445 WeakPolarHBondContact O-CE 3.33Å; D2441-M2445 WeakPolarHBondContact O-CG 3.38Å; D2441-M2445 PolarHBondContact O-N 3.24Å |
| 2442 | L | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 174.5 | -177.6 | 61 | 0 | 0 | 0 | 112.8 | V2380 L2384 L2385 L2419 A2438 M2439 N2440 Q2444 M2445 L2446 | V2380-L2442 HydrophobicContact CG1-CD2 4.1Å; L2384-L2442 HydrophobicContact CB-CD1 4.38Å; L2384-L2442 HydrophobicContact CD1-CD2 4.17Å; L2385-L2442 HydrophobicContact CD1-CD1 4.28Å; L2385-L2442 HydrophobicContact CD2-CD1 3.75Å; L2385-L2442 HydrophobicContact CG-CD1 3.62Å; L2419-L2442 HydrophobicContact CD1-CD2 3.85Å; L2419-L2442 HydrophobicContact CD2-CB 4.21Å; L2419-L2442 HydrophobicContact CD2-CD2 3.61Å; L2419-L2442 HydrophobicContact CD2-CG 3.61Å; L2419-L2442 HydrophobicContact CG-CD2 4.41Å; A2438-L2442 VanDerWaalsContact O-CB 3.26Å; A2438-L2442 WeakPolarHBondContact O-CB 3.33Å; A2438-L2442 PolarHBondContact O-N 3.05Å; A2438-L2442 VanDerWaalsContact O-N 3.09Å; M2439-L2442 PolarHBondContact O-N 2.91Å; N2440-L2442 VanDerWaalsContact C-N 3.32Å; N2440-L2442 PolarHBondContact O-N 2.81Å; L2442-Q2444 VanDerWaalsContact C-N 3.3Å; L2442-Q2444 PolarHBondContact O-N 3.1Å; L2442-M2445 HydrophobicContact CB-CE 4.46Å; L2442-M2445 HydrophobicContact CD1-CE 4.43Å; L2442-M2445 PolarHBondContact O-N 3.37Å; L2442-L2446 HydrophobicContact CD1-CD1 4.45Å; L2442-L2446 HydrophobicContact CD1-CG 4.32Å; L2442-L2446 HydrophobicContact CG-CD1 4.34Å; L2442-L2446 WeakPolarHBondContact O-CB 3.3Å; L2442-L2446 WeakPolarHBondContact O-CG 3.44Å; L2442-L2446 PolarHBondContact O-N 2.89Å |
| 2443 | Q | 94.5 | Very high | 93.2 | Very high | 33.5 Ų | 33.5 | 49.2 Ų | 49.2 | 16% | 0.157 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.3 | -41 | 173.7 | -82 | -71 | -3.9 | 0 | 0 | 112.4 | R2416 L2419 M2439 N2440 D2441 Q2447 | R2416-Q2443 PolarHBondContact O-NE2 3.17Å; L2419-Q2443 HydrophobicContact CD2-CG 3.86Å; L2419-Q2443 HydrophobicContact CG-CG 4.43Å; M2439-Q2443 PolarHBondContact O-N 3.07Å; N2440-Q2443 WeakPolarHBondContact O-CB 3.24Å; N2440-Q2443 PolarHBondContact O-N 3.33Å; D2441-Q2443 PolarHBondContact O-N 3.36Å; Q2443-Q2447 VanDerWaalsContact O-CB 3.27Å; Q2443-Q2447 WeakPolarHBondContact O-CB 3.35Å; Q2443-Q2447 PolarHBondContact O-N 2.98Å |
| 2444 | Q | 95.2 | Very high | 93.4 | Very high | 129 Ų | 129 | 41.2 Ų | 41.2 | 60% | 0.603 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -69.7 | -40.9 | 177 | -71 | 175.8 | 65.6 | 0 | 0 | 112.4 | N2440 D2441 L2442 Q2447 A2448 | N2440-Q2444 WeakPolarHBondContact O-CG 3.34Å; N2440-Q2444 PolarHBondContact O-N 3.26Å; N2440-Q2444 PolarHBondContact O-NE2 2.94Å; D2441-Q2444 PolarHBondContact O-N 3.04Å; L2442-Q2444 VanDerWaalsContact C-N 3.3Å; L2442-Q2444 PolarHBondContact O-N 3.1Å; Q2444-Q2447 WeakPolarHBondContact O-CB 3.32Å; Q2444-Q2447 PolarHBondContact O-N 3.07Å; Q2444-A2448 PolarHBondContact O-N 3.07Å |
| 2445 | M | 96.1 | Very high | 93.7 | Very high | 80.5 Ų | 80.5 | 38.1 Ų | 38.1 | 40% | 0.397 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.5 | -46.3 | 176.9 | -74 | -174.6 | -74.7 | 0 | 0 | 111.9 | L2385 D2441 L2442 Q2447 A2448 V2449 | L2385-M2445 HydrophobicContact CD1-CE 3.86Å; L2385-M2445 HydrophobicContact CD1-SD 4.14Å; L2385-M2445 HydrophobicContact CD2-CB 3.8Å; L2385-M2445 HydrophobicContact CD2-CE 4.16Å; L2385-M2445 HydrophobicContact CD2-SD 4.03Å; L2385-M2445 HydrophobicContact CG-CE 4.48Å; D2441-M2445 HydrophobicContact CB-CE 4.35Å; D2441-M2445 WeakPolarHBondContact O-CE 3.33Å; D2441-M2445 WeakPolarHBondContact O-CG 3.38Å; D2441-M2445 PolarHBondContact O-N 3.24Å; L2442-M2445 HydrophobicContact CB-CE 4.46Å; L2442-M2445 HydrophobicContact CD1-CE 4.43Å; L2442-M2445 PolarHBondContact O-N 3.37Å; M2445-Q2447 PolarHBondContact O-N 2.98Å; M2445-A2448 WeakPolarHBondContact O-CB 3.42Å; M2445-A2448 PolarHBondContact O-N 3.23Å; M2445-V2449 WeakPolarHBondContact O-CG2 3.35Å; M2445-V2449 PolarHBondContact O-N 3.13Å; M2445-V2449 VanDerWaalsContact O-N 3.14Å |
| 2446 | L | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.4 | -35.7 | 173.9 | -68.7 | 176 | 0 | 0 | 0 | 111.6 | L2384 A2388 I2412 L2415 R2416 L2419 L2442 V2449 I2450 | L2384-L2446 HydrophobicContact CB-CD1 4.45Å; L2384-L2446 HydrophobicContact CD1-CD1 4.36Å; A2388-L2446 HydrophobicContact CB-CD2 3.94Å; I2412-L2446 HydrophobicContact CG2-CD2 4.48Å; L2415-L2446 HydrophobicContact CB-CD1 4.16Å; L2415-L2446 HydrophobicContact CD1-CD2 4.09Å; R2416-L2446 HydrophobicContact CG-CB 3.62Å; R2416-L2446 HydrophobicContact CG-CD1 4.11Å; L2419-L2446 HydrophobicContact CD2-CD1 3.85Å; L2442-L2446 HydrophobicContact CD1-CD1 4.45Å; L2442-L2446 HydrophobicContact CD1-CG 4.32Å; L2442-L2446 HydrophobicContact CG-CD1 4.34Å; L2442-L2446 WeakPolarHBondContact O-CB 3.3Å; L2442-L2446 WeakPolarHBondContact O-CG 3.44Å; L2442-L2446 PolarHBondContact O-N 2.89Å; L2446-V2449 PolarHBondContact O-N 3.23Å; L2446-I2450 PolarHBondContact O-N 2.95Å |
| 2447 | Q | 95.1 | Very high | 94 | Very high | 29 Ų | 29 | 37.2 Ų | 37.2 | 14% | 0.136 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.8 | -44.5 | 175 | -177.8 | 56.8 | 96.4 | 0 | 0 | 112.1 | Q2443 Q2444 M2445 V2449 I2450 D2451 R2520 | Q2443-Q2447 VanDerWaalsContact O-CB 3.27Å; Q2443-Q2447 WeakPolarHBondContact O-CB 3.35Å; Q2443-Q2447 PolarHBondContact O-N 2.98Å; Q2444-Q2447 WeakPolarHBondContact O-CB 3.32Å; Q2444-Q2447 PolarHBondContact O-N 3.07Å; M2445-Q2447 PolarHBondContact O-N 2.98Å; Q2447-V2449 VanDerWaalsContact C-N 3.26Å; Q2447-V2449 PolarHBondContact O-N 3.46Å; Q2447-I2450 PolarHBondContact O-N 3.19Å; Q2447-I2450 VanDerWaalsContact O-N 3.16Å; Q2447-D2451 PolarHBondContact NE2-OD2 3.07Å; Q2447-D2451 PolarHBondContact O-N 3.12Å; Q2447-R2520 VanDerWaalsContact NE2-NE 3.12Å |
| 2448 | A | 95.4 | Very high | 94 | Very high | 59 Ų | 59 | 34.6 Ų | 34.6 | 49% | 0.488 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.9 | -32.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q2444 M2445 D2451 D2452 | Q2444-A2448 PolarHBondContact O-N 3.07Å; M2445-A2448 WeakPolarHBondContact O-CB 3.42Å; M2445-A2448 PolarHBondContact O-N 3.23Å; A2448-D2451 PolarHBondContact O-N 3.11Å; A2448-D2452 PolarHBondContact O-N 3.21Å; A2448-D2452 VanDerWaalsContact O-N 3.12Å |
| 2449 | V | 95.5 | Very high | 94 | Very high | 21 Ų | 21 | 39.5 Ų | 39.5 | 13% | 0.127 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.2 | -42.9 | 174.8 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | A2388 I2412 M2445 L2446 Q2447 D2451 D2452 L2453 | A2388-V2449 HydrophobicContact CB-CG1 4.26Å; A2388-V2449 HydrophobicContact CB-CG2 4.12Å; I2412-V2449 HydrophobicContact CD1-CG1 4.48Å; I2412-V2449 HydrophobicContact CG1-CG1 4.3Å; I2412-V2449 HydrophobicContact CG2-CB 4.3Å; I2412-V2449 HydrophobicContact CG2-CG1 4.16Å; M2445-V2449 WeakPolarHBondContact O-CG2 3.35Å; M2445-V2449 PolarHBondContact O-N 3.13Å; M2445-V2449 VanDerWaalsContact O-N 3.14Å; L2446-V2449 PolarHBondContact O-N 3.23Å; Q2447-V2449 VanDerWaalsContact C-N 3.26Å; Q2447-V2449 PolarHBondContact O-N 3.46Å; V2449-D2451 VanDerWaalsContact C-N 3.28Å; V2449-D2451 PolarHBondContact O-N 2.87Å; V2449-D2452 PolarHBondContact O-N 2.75Å; V2449-L2453 HydrophobicContact CG1-CD1 3.98Å; V2449-L2453 HydrophobicContact CG1-CG 4.2Å; V2449-L2453 VanDerWaalsContact O-CG 3.27Å; V2449-L2453 WeakPolarHBondContact O-CG 3.25Å; V2449-L2453 PolarHBondContact O-N 3.08Å |
| 2450 | I | 95 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.1 | -39.8 | 176.9 | -58.6 | 167.1 | 0 | 0 | 0 | 111 | I2412 Q2413 R2416 L2446 Q2447 L2453 A2454 V2517 | I2412-I2450 HydrophobicContact CB-CG1 3.96Å; I2412-I2450 HydrophobicContact CG2-CD1 4.15Å; I2412-I2450 HydrophobicContact CG2-CG1 3.49Å; I2412-I2450 VanDerWaalsContact CG2-CG1 3.43Å; Q2413-I2450 HydrophobicContact CB-CD1 3.89Å; R2416-I2450 VanDerWaalsContact CD-CD1 3.48Å; L2446-I2450 PolarHBondContact O-N 2.95Å; Q2447-I2450 PolarHBondContact O-N 3.19Å; Q2447-I2450 VanDerWaalsContact O-N 3.16Å; I2450-L2453 PolarHBondContact O-N 2.78Å; I2450-A2454 VanDerWaalsContact O-CB 3.26Å; I2450-A2454 WeakPolarHBondContact O-CB 3.39Å; I2450-A2454 PolarHBondContact O-N 3.04Å; I2450-V2517 HydrophobicContact CG2-CG2 4.42Å |
| 2451 | D | 93.3 | Very high | 93.8 | Very high | 58.5 Ų | 58.5 | 38 Ų | 38 | 31% | 0.313 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.5 | -38.3 | 179.1 | -72.9 | -43.1 | 0 | 0 | 0 | 112.4 | Q2447 A2448 V2449 A2454 S2455 R2520 | Q2447-D2451 PolarHBondContact NE2-OD2 3.07Å; Q2447-D2451 PolarHBondContact O-N 3.12Å; A2448-D2451 PolarHBondContact O-N 3.11Å; V2449-D2451 VanDerWaalsContact C-N 3.28Å; V2449-D2451 PolarHBondContact O-N 2.87Å; D2451-A2454 PolarHBondContact O-N 3.38Å; D2451-S2455 WeakPolarHBondContact O-CB 3.43Å; D2451-S2455 PolarHBondContact O-N 2.87Å; D2451-R2520 VanDerWaalsContact OD1-CD 3.25Å; D2451-R2520 WeakPolarHBondContact OD1-CD 3.35Å; D2451-R2520 WeakPolarHBondContact OD1-CG 3.35Å; D2451-R2520 IonicContact OD1-CZ 3.55Å; D2451-R2520 IonicContact OD1-NE 3.16Å; D2451-R2520 IonicContact OD1-NH1 2.89Å; D2451-R2520 PolarHBondContact OD1-NH1 2.79Å; D2451-R2520 IonicContact OD2-CZ 3.14Å; D2451-R2520 IonicContact OD2-NH1 3.29Å; D2451-R2520 PolarHBondContact OD2-NH1 3.41Å |
| 2452 | D | 93.8 | Very high | 93.7 | Very high | 48.5 Ų | 48.5 | 37.6 Ų | 37.6 | 26% | 0.259 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.3 | -45.4 | 173.7 | -178.2 | 58.2 | 0 | 0 | 0 | 112.1 | K2392 A2448 V2449 A2454 S2455 Q2456 | K2392-D2452 WeakPolarHBondContact CD-OD2 3.34Å; K2392-D2452 WeakPolarHBondContact CE-OD2 3.23Å; K2392-D2452 IonicContact NZ-OD1 3.09Å; K2392-D2452 PolarHBondContact NZ-OD1 3.35Å; K2392-D2452 IonicContact NZ-OD2 2.68Å; K2392-D2452 PolarHBondContact NZ-OD2 2.97Å; A2448-D2452 PolarHBondContact O-N 3.21Å; A2448-D2452 VanDerWaalsContact O-N 3.12Å; V2449-D2452 PolarHBondContact O-N 2.75Å; D2452-A2454 VanDerWaalsContact C-N 3.35Å; D2452-A2454 PolarHBondContact O-N 2.83Å; D2452-S2455 PolarHBondContact O-N 3.11Å; D2452-Q2456 VanDerWaalsContact CG-NE2 3.31Å; D2452-Q2456 WeakPolarHBondContact O-CG 3.43Å; D2452-Q2456 PolarHBondContact O-N 3.14Å; D2452-Q2456 PolarHBondContact OD1-NE2 3.26Å; D2452-Q2456 PolarHBondContact OD2-NE2 2.9Å |
| 2453 | L | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.1 | -42.7 | 175.8 | -61.7 | 174.6 | 0 | 0 | 0 | 111.5 | V2391 F2395 M2409 I2412 V2449 I2450 S2455 Q2456 Y2457 | V2391-L2453 HydrophobicContact CG1-CD1 3.81Å; V2391-L2453 HydrophobicContact CG1-CD2 4.24Å; F2395-L2453 HydrophobicContact CB-CD2 3.67Å; F2395-L2453 HydrophobicContact CD1-CB 4.4Å; F2395-L2453 HydrophobicContact CD1-CD2 3.54Å; F2395-L2453 VanDerWaalsContact CD1-CD2 3.46Å; F2395-L2453 HydrophobicContact CD2-CD2 3.89Å; F2395-L2453 HydrophobicContact CE1-CB 4.04Å; F2395-L2453 HydrophobicContact CE1-CD2 4.06Å; F2395-L2453 VanDerWaalsContact CE1-O 3.28Å; F2395-L2453 WeakPolarHBondContact CE1-O 3.31Å; F2395-L2453 HydrophobicContact CE2-CB 4.43Å; F2395-L2453 HydrophobicContact CE2-CD2 4.36Å; F2395-L2453 HydrophobicContact CG-CD2 3.44Å; F2395-L2453 VanDerWaalsContact CG-CD2 3.44Å; F2395-L2453 HydrophobicContact CZ-CB 4.07Å; F2395-L2453 HydrophobicContact CZ-CD2 4.33Å; M2409-L2453 HydrophobicContact CG-CB 3.84Å; M2409-L2453 HydrophobicContact CG-CD1 4.29Å; M2409-L2453 HydrophobicContact SD-CB 4.28Å; I2412-L2453 HydrophobicContact CG1-CD1 3.88Å; V2449-L2453 HydrophobicContact CG1-CD1 3.98Å; V2449-L2453 HydrophobicContact CG1-CG 4.2Å; V2449-L2453 VanDerWaalsContact O-CG 3.27Å; V2449-L2453 WeakPolarHBondContact O-CG 3.25Å; V2449-L2453 PolarHBondContact O-N 3.08Å; I2450-L2453 PolarHBondContact O-N 2.78Å; L2453-S2455 VanDerWaalsContact C-N 3.33Å; L2453-S2455 PolarHBondContact O-N 2.73Å; L2453-Q2456 PolarHBondContact O-N 3.14Å; L2453-Y2457 WeakPolarHBondContact O-CB 3.26Å; L2453-Y2457 PolarHBondContact O-N 3.17Å |
| 2454 | A | 93.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.4 | -40 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | I2450 D2451 D2452 Y2457 A2458 R2520 L2521 | I2450-A2454 VanDerWaalsContact O-CB 3.26Å; I2450-A2454 WeakPolarHBondContact O-CB 3.39Å; I2450-A2454 PolarHBondContact O-N 3.04Å; D2451-A2454 PolarHBondContact O-N 3.38Å; D2452-A2454 VanDerWaalsContact C-N 3.35Å; D2452-A2454 PolarHBondContact O-N 2.83Å; A2454-Y2457 PolarHBondContact O-N 3.08Å; A2454-A2458 WeakPolarHBondContact O-CB 3.28Å; A2454-A2458 PolarHBondContact O-N 3.29Å; A2454-R2520 HydrophobicContact CB-CB 4.2Å; A2454-L2521 HydrophobicContact CB-CD2 3.89Å; A2454-L2521 HydrophobicContact CB-CG 4.42Å |
| 2455 | S | 92.6 | Very high | 92.9 | Very high | 52.5 Ų | 52.5 | 39.9 Ų | 39.9 | 37% | 0.367 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.1 | -45.7 | 175.8 | -164.7 | 0 | 0 | 0 | 0 | 111.9 | D2451 D2452 L2453 Y2457 A2458 E2459 E2524 | D2451-S2455 WeakPolarHBondContact O-CB 3.43Å; D2451-S2455 PolarHBondContact O-N 2.87Å; D2452-S2455 PolarHBondContact O-N 3.11Å; L2453-S2455 VanDerWaalsContact C-N 3.33Å; L2453-S2455 PolarHBondContact O-N 2.73Å; S2455-Y2457 VanDerWaalsContact C-N 3.3Å; S2455-Y2457 PolarHBondContact O-N 2.96Å; S2455-A2458 PolarHBondContact O-N 3.03Å; S2455-E2459 PolarHBondContact O-N 3.07Å; S2455-E2524 PolarHBondContact OG-OE2 2.93Å |
| 2456 | Q | 92.4 | Very high | 92.6 | Very high | 34.5 Ų | 34.5 | 37.1 Ų | 37.1 | 16% | 0.161 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.7 | -38 | 176.4 | -73.5 | -179.2 | 64.1 | 0 | 0 | 112.2 | F2395 D2452 L2453 A2460 | F2395-Q2456 HydrophobicContact CD1-CB 4.18Å; F2395-Q2456 HydrophobicContact CE1-CB 4Å; D2452-Q2456 VanDerWaalsContact CG-NE2 3.31Å; D2452-Q2456 WeakPolarHBondContact O-CG 3.43Å; D2452-Q2456 PolarHBondContact O-N 3.14Å; D2452-Q2456 PolarHBondContact OD1-NE2 3.26Å; D2452-Q2456 PolarHBondContact OD2-NE2 2.9Å; L2453-Q2456 PolarHBondContact O-N 3.14Å; Q2456-A2460 PolarHBondContact O-N 2.9Å |
| 2457 | Y | 93.6 | Very high | 92.4 | Very high | 5.5 Ų | 5.5 | 42.5 Ų | 42.5 | 2% | 0.022 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.3 | -39.8 | 176.2 | -170.9 | -103.2 | 0 | 0 | 0 | 112.6 | V2399 Q2402 A2405 M2409 L2453 A2454 S2455 E2459 A2460 L2461 L2509 L2521 | V2399-Y2457 HydrophobicContact CG1-CD2 4.19Å; V2399-Y2457 VanDerWaalsContact O-CE2 3.31Å; V2399-Y2457 WeakPolarHBondContact O-CE2 3.43Å; Q2402-Y2457 WeakPolarHBondContact CG-OH 3.26Å; A2405-Y2457 HydrophobicContact CB-CD2 3.72Å; A2405-Y2457 HydrophobicContact CB-CE2 3.63Å; M2409-Y2457 HydrophobicContact CE-CD1 4.27Å; M2409-Y2457 HydrophobicContact CE-CG 4.15Å; L2453-Y2457 WeakPolarHBondContact O-CB 3.26Å; L2453-Y2457 PolarHBondContact O-N 3.17Å; A2454-Y2457 PolarHBondContact O-N 3.08Å; S2455-Y2457 VanDerWaalsContact C-N 3.3Å; S2455-Y2457 PolarHBondContact O-N 2.96Å; Y2457-E2459 VanDerWaalsContact C-N 3.33Å; Y2457-E2459 PolarHBondContact O-N 3.24Å; Y2457-A2460 PolarHBondContact O-N 3.14Å; Y2457-L2461 HydrophobicContact CD1-CD1 3.92Å; Y2457-L2461 HydrophobicContact CE1-CD1 3.46Å; Y2457-L2461 VanDerWaalsContact CE1-CD1 3.46Å; Y2457-L2461 HydrophobicContact CE1-CG 4.17Å; Y2457-L2461 PolarHBondContact O-N 2.96Å; Y2457-L2461 VanDerWaalsContact O-N 3.15Å; Y2457-L2509 HydrophobicContact CE1-CD2 3.93Å; Y2457-L2521 HydrophobicContact CD1-CD2 3.68Å; Y2457-L2521 HydrophobicContact CG-CD2 4.37Å |
| 2458 | A | 92.1 | Very high | 92.2 | Very high | 1.5 Ų | 1.5 | 43.8 Ų | 43.8 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.7 | -36.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A2454 S2455 A2460 L2461 Q2462 E2524 L2525 | A2454-A2458 WeakPolarHBondContact O-CB 3.28Å; A2454-A2458 PolarHBondContact O-N 3.29Å; S2455-A2458 PolarHBondContact O-N 3.03Å; A2458-A2460 VanDerWaalsContact C-N 3.33Å; A2458-A2460 PolarHBondContact O-N 3Å; A2458-L2461 PolarHBondContact O-N 3.06Å; A2458-Q2462 PolarHBondContact O-N 3.18Å; A2458-E2524 HydrophobicContact CB-CB 3.58Å; A2458-L2525 HydrophobicContact CB-CD2 4.38Å |
| 2459 | E | 90.5 | Very high | 92 | Very high | 131 Ų | 131 | 41 Ų | 41 | 61% | 0.612 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -62.6 | -38 | 174.1 | -172.9 | 175.7 | -168.8 | 0 | 0 | 111.9 | S2455 Y2457 Q2462 | S2455-E2459 PolarHBondContact O-N 3.07Å; Y2457-E2459 VanDerWaalsContact C-N 3.33Å; Y2457-E2459 PolarHBondContact O-N 3.24Å; E2459-Q2462 VanDerWaalsContact O-CB 3.29Å; E2459-Q2462 WeakPolarHBondContact O-CB 3.32Å; E2459-Q2462 PolarHBondContact O-N 3.07Å |
| 2460 | A | 90.7 | Very high | 91.7 | Very high | 28 Ų | 28 | 45.1 Ų | 45.1 | 23% | 0.231 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.6 | -37 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V2399 Q2456 Y2457 A2458 Q2462 | V2399-A2460 HydrophobicContact CB-CB 4.46Å; V2399-A2460 HydrophobicContact CG1-CB 3.27Å; Q2456-A2460 PolarHBondContact O-N 2.9Å; Y2457-A2460 PolarHBondContact O-N 3.14Å; A2458-A2460 VanDerWaalsContact C-N 3.33Å; A2458-A2460 PolarHBondContact O-N 3Å; A2460-Q2462 VanDerWaalsContact C-N 3.32Å |
| 2461 | L | 90.3 | Very high | 91.4 | Very high | 15 Ų | 15 | 47.6 Ų | 47.6 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.8 | -25.2 | 174.2 | -69.4 | 177.4 | 0 | 0 | 0 | 112.8 | Y2457 A2458 V2463 Q2464 I2465 T2505 L2525 | Y2457-L2461 HydrophobicContact CD1-CD1 3.92Å; Y2457-L2461 HydrophobicContact CE1-CD1 3.46Å; Y2457-L2461 VanDerWaalsContact CE1-CD1 3.46Å; Y2457-L2461 HydrophobicContact CE1-CG 4.17Å; Y2457-L2461 PolarHBondContact O-N 2.96Å; Y2457-L2461 VanDerWaalsContact O-N 3.15Å; A2458-L2461 PolarHBondContact O-N 3.06Å; L2461-V2463 PolarHBondContact O-N 2.86Å; L2461-V2463 VanDerWaalsContact O-N 3.12Å; L2461-Q2464 PolarHBondContact O-N 3Å; L2461-Q2464 VanDerWaalsContact O-N 3.09Å; L2461-I2465 HydrophobicContact CB-CD1 4.24Å; L2461-I2465 WeakPolarHBondContact O-CG1 3.47Å; L2461-I2465 PolarHBondContact O-N 2.99Å; L2461-I2465 VanDerWaalsContact O-N 3.13Å; L2461-T2505 HydrophobicContact CD1-CG2 4.26Å; L2461-L2525 HydrophobicContact CB-CD2 4.08Å; L2461-L2525 HydrophobicContact CD1-CD1 4.48Å; L2461-L2525 HydrophobicContact CD1-CD2 3.84Å |
| 2462 | Q | 90.6 | Very high | 91.2 | Very high | 63 Ų | 63 | 44.9 Ų | 44.9 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -53.8 | -34.9 | 179.5 | 179.2 | 172.4 | -13.7 | 0 | 0 | 112.9 | A2458 E2459 A2460 Q2464 I2465 V2466 V2528 N2532 | A2458-Q2462 PolarHBondContact O-N 3.18Å; E2459-Q2462 VanDerWaalsContact O-CB 3.29Å; E2459-Q2462 WeakPolarHBondContact O-CB 3.32Å; E2459-Q2462 PolarHBondContact O-N 3.07Å; A2460-Q2462 VanDerWaalsContact C-N 3.32Å; Q2462-Q2464 VanDerWaalsContact C-N 3.3Å; Q2462-Q2464 PolarHBondContact O-N 3.12Å; Q2462-I2465 PolarHBondContact O-N 3.36Å; Q2462-V2466 HydrophobicContact CG-CG2 3.85Å; Q2462-V2466 VanDerWaalsContact O-CB 3.28Å; Q2462-V2466 WeakPolarHBondContact O-CB 3.35Å; Q2462-V2466 VanDerWaalsContact O-CG2 3.26Å; Q2462-V2466 WeakPolarHBondContact O-CG2 3.27Å; Q2462-V2466 PolarHBondContact O-N 3.37Å; Q2462-V2528 HydrophobicContact CB-CG1 3.79Å; Q2462-V2528 HydrophobicContact CG-CG1 3.68Å; Q2462-N2532 PolarHBondContact NE2-ND2 2.82Å |
| 2463 | V | 88.6 | Confident | 90.9 | Very high | 108.5 Ų | 108.5 | 43.4 Ų | 43.4 | 66% | 0.658 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -58.4 | -43.9 | 179.5 | -177.4 | 0 | 0 | 0 | 0 | 111.3 | L2461 Q2467 | L2461-V2463 PolarHBondContact O-N 2.86Å; L2461-V2463 VanDerWaalsContact O-N 3.12Å; V2463-Q2467 PolarHBondContact O-N 3.13Å |
| 2464 | Q | 89.1 | Confident | 90.5 | Very high | 100 Ų | 100 | 49.5 Ų | 49.5 | 47% | 0.467 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -73.1 | -44.5 | 179.5 | -57.3 | -174.7 | 36.5 | 0 | 0 | 110.9 | L2461 Q2462 V2466 Q2467 K2468 H2501 | L2461-Q2464 PolarHBondContact O-N 3Å; L2461-Q2464 VanDerWaalsContact O-N 3.09Å; Q2462-Q2464 VanDerWaalsContact C-N 3.3Å; Q2462-Q2464 PolarHBondContact O-N 3.12Å; Q2464-V2466 VanDerWaalsContact C-N 3.33Å; Q2464-V2466 PolarHBondContact O-N 3.25Å; Q2464-Q2467 WeakPolarHBondContact O-CB 3.29Å; Q2464-Q2467 PolarHBondContact O-N 3.21Å; Q2464-Q2467 VanDerWaalsContact O-N 3.09Å; Q2464-K2468 WeakPolarHBondContact O-CG 3.35Å; Q2464-K2468 PolarHBondContact O-N 2.96Å; Q2464-H2501 PolarHBondContact OE1-CE1 2.97Å |
| 2465 | I | 91 | Very high | 90.2 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.4 | -44.4 | 178 | -64.1 | 165.5 | 0 | 0 | 0 | 110.9 | L2461 Q2462 Q2467 K2468 I2469 L2498 Y2502 L2525 V2528 | L2461-I2465 HydrophobicContact CB-CD1 4.24Å; L2461-I2465 WeakPolarHBondContact O-CG1 3.47Å; L2461-I2465 PolarHBondContact O-N 2.99Å; L2461-I2465 VanDerWaalsContact O-N 3.13Å; Q2462-I2465 PolarHBondContact O-N 3.36Å; I2465-Q2467 VanDerWaalsContact C-N 3.34Å; I2465-Q2467 PolarHBondContact O-N 3.11Å; I2465-K2468 PolarHBondContact O-N 2.97Å; I2465-I2469 HydrophobicContact CG2-CD1 3.75Å; I2465-I2469 HydrophobicContact CG2-CG1 4.43Å; I2465-I2469 WeakPolarHBondContact O-CB 3.39Å; I2465-I2469 VanDerWaalsContact O-CG1 3.3Å; I2465-I2469 WeakPolarHBondContact O-CG1 3.43Å; I2465-I2469 PolarHBondContact O-N 3.2Å; I2465-L2498 HydrophobicContact CG2-CD1 4.48Å; I2465-Y2502 HydrophobicContact CD1-CE1 4.39Å; I2465-Y2502 HydrophobicContact CG1-CE1 4.37Å; I2465-Y2502 WeakPolarHBondContact CG2-OH 3.28Å; I2465-L2525 HydrophobicContact CD1-CD2 3.71Å; I2465-V2528 HydrophobicContact CD1-CG1 4.13Å; I2465-V2528 HydrophobicContact CG2-CG1 4.37Å |
| 2466 | V | 90.8 | Very high | 89.9 | Confident | 22 Ų | 22 | 48.6 Ų | 48.6 | 13% | 0.133 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.4 | -38.3 | 176.6 | 165.7 | 0 | 0 | 0 | 0 | 111.8 | Q2462 Q2464 K2468 I2469 K2470 N2532 | Q2462-V2466 HydrophobicContact CG-CG2 3.85Å; Q2462-V2466 VanDerWaalsContact O-CB 3.28Å; Q2462-V2466 WeakPolarHBondContact O-CB 3.35Å; Q2462-V2466 VanDerWaalsContact O-CG2 3.26Å; Q2462-V2466 WeakPolarHBondContact O-CG2 3.27Å; Q2462-V2466 PolarHBondContact O-N 3.37Å; Q2464-V2466 VanDerWaalsContact C-N 3.33Å; Q2464-V2466 PolarHBondContact O-N 3.25Å; V2466-K2468 VanDerWaalsContact C-N 3.35Å; V2466-I2469 PolarHBondContact O-N 3.02Å; V2466-K2470 HydrophobicContact CG1-CD 4.33Å; V2466-K2470 VanDerWaalsContact O-CG 3.3Å; V2466-K2470 WeakPolarHBondContact O-CG 3.31Å; V2466-K2470 PolarHBondContact O-N 2.97Å; V2466-K2470 VanDerWaalsContact O-N 3.1Å; V2466-N2532 HydrophobicContact CG2-CB 4.2Å; V2466-N2532 VanDerWaalsContact CG2-OD1 3.29Å; V2466-N2532 WeakPolarHBondContact CG2-OD1 3.43Å |
| 2467 | Q | 90.9 | Very high | 89.4 | Confident | 114 Ų | 114 | 50.3 Ų | 50.3 | 53% | 0.533 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.4 | -44.7 | 174.2 | -175.9 | 177.9 | -26.5 | 0 | 0 | 111.1 | V2463 Q2464 I2465 I2469 K2470 E2471 | V2463-Q2467 PolarHBondContact O-N 3.13Å; Q2464-Q2467 WeakPolarHBondContact O-CB 3.29Å; Q2464-Q2467 PolarHBondContact O-N 3.21Å; Q2464-Q2467 VanDerWaalsContact O-N 3.09Å; I2465-Q2467 VanDerWaalsContact C-N 3.34Å; I2465-Q2467 PolarHBondContact O-N 3.11Å; Q2467-I2469 PolarHBondContact O-N 3.21Å; Q2467-K2470 WeakPolarHBondContact O-CB 3.42Å; Q2467-K2470 PolarHBondContact O-N 3.34Å; Q2467-K2470 VanDerWaalsContact O-N 3.11Å; Q2467-E2471 WeakPolarHBondContact CG-OE1 3.3Å; Q2467-E2471 PolarHBondContact NE2-OE1 2.81Å; Q2467-E2471 PolarHBondContact O-N 3.09Å |
| 2468 | K | 92.1 | Very high | 88.9 | Confident | 57 Ų | 57 | 56.6 Ų | 56.6 | 25% | 0.248 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.9 | -37.2 | 177.5 | -64.3 | -45.9 | -164.4 | 176.8 | 0 | 113.3 | Q2464 I2465 V2466 K2470 E2471 L2472 P2497 L2498 H2501 | Q2464-K2468 WeakPolarHBondContact O-CG 3.35Å; Q2464-K2468 PolarHBondContact O-N 2.96Å; I2465-K2468 PolarHBondContact O-N 2.97Å; V2466-K2468 VanDerWaalsContact C-N 3.35Å; K2468-K2470 VanDerWaalsContact C-N 3.31Å; K2468-K2470 PolarHBondContact O-N 3.18Å; K2468-E2471 WeakPolarHBondContact CD-OE2 3.44Å; K2468-E2471 IonicContact NZ-OE1 3.16Å; K2468-E2471 IonicContact NZ-OE2 3.71Å; K2468-E2471 PolarHBondContact NZ-OE2 2.86Å; K2468-E2471 WeakPolarHBondContact O-CB 3.2Å; K2468-E2471 PolarHBondContact O-N 2.95Å; K2468-E2471 VanDerWaalsContact O-N 3.14Å; K2468-L2472 WeakPolarHBondContact O-CB 3.38Å; K2468-L2472 PolarHBondContact O-N 2.85Å; K2468-P2497 HydrophobicContact CD-CB 4.44Å; K2468-P2497 WeakPolarHBondContact CD-O 3.43Å; K2468-P2497 WeakPolarHBondContact CE-O 3.42Å; K2468-P2497 VanDerWaalsContact CG-O 3.29Å; K2468-P2497 WeakPolarHBondContact CG-O 3.3Å; K2468-L2498 HydrophobicContact CB-CB 4.41Å; K2468-L2498 HydrophobicContact CB-CD1 3.85Å; K2468-H2501 HydrophobicContact CG-CB 4.05Å |
| 2469 | I | 91.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.3 | -35.2 | 172.2 | -71.2 | 169.3 | 0 | 0 | 0 | 111.6 | I2465 V2466 Q2467 L2472 S2473 L2498 N2532 L2533 Q2536 V2537 | I2465-I2469 HydrophobicContact CG2-CD1 3.75Å; I2465-I2469 HydrophobicContact CG2-CG1 4.43Å; I2465-I2469 WeakPolarHBondContact O-CB 3.39Å; I2465-I2469 VanDerWaalsContact O-CG1 3.3Å; I2465-I2469 WeakPolarHBondContact O-CG1 3.43Å; I2465-I2469 PolarHBondContact O-N 3.2Å; V2466-I2469 PolarHBondContact O-N 3.02Å; Q2467-I2469 PolarHBondContact O-N 3.21Å; I2469-L2472 PolarHBondContact O-N 3.29Å; I2469-S2473 WeakPolarHBondContact O-CB 3.15Å; I2469-S2473 PolarHBondContact O-N 2.94Å; I2469-L2498 HydrophobicContact CG1-CD1 4.3Å; I2469-L2498 HydrophobicContact CG1-CD2 4.35Å; I2469-N2532 HydrophobicContact CD1-CB 3.56Å; I2469-N2532 VanDerWaalsContact CD1-CB 3.5Å; I2469-L2533 HydrophobicContact CD1-CD2 4.41Å; I2469-L2533 HydrophobicContact CD1-CG 4.15Å; I2469-L2533 HydrophobicContact CG1-CD2 4.08Å; I2469-L2533 HydrophobicContact CG1-CG 4.36Å; I2469-L2533 HydrophobicContact CG2-CD2 4.1Å; I2469-Q2536 HydrophobicContact CG2-CB 3.97Å; I2469-Q2536 HydrophobicContact CG2-CG 4.3Å; I2469-V2537 HydrophobicContact CG2-CG2 3.69Å |
| 2470 | K | 87.7 | Confident | 87.4 | Confident | 106.5 Ų | 106.5 | 54.3 Ų | 54.3 | 46% | 0.463 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70 | -32.1 | 172.8 | -72.6 | 172.3 | -179.2 | 175.9 | 0 | 112.9 | V2466 Q2467 K2468 S2473 K2474 Q2536 | V2466-K2470 HydrophobicContact CG1-CD 4.33Å; V2466-K2470 VanDerWaalsContact O-CG 3.3Å; V2466-K2470 WeakPolarHBondContact O-CG 3.31Å; V2466-K2470 PolarHBondContact O-N 2.97Å; V2466-K2470 VanDerWaalsContact O-N 3.1Å; Q2467-K2470 WeakPolarHBondContact O-CB 3.42Å; Q2467-K2470 PolarHBondContact O-N 3.34Å; Q2467-K2470 VanDerWaalsContact O-N 3.11Å; K2468-K2470 VanDerWaalsContact C-N 3.31Å; K2468-K2470 PolarHBondContact O-N 3.18Å; K2470-S2473 PolarHBondContact O-N 3.3Å; K2470-K2474 WeakPolarHBondContact O-CD 3.42Å; K2470-K2474 VanDerWaalsContact O-CG 3.29Å; K2470-K2474 WeakPolarHBondContact O-CG 3.33Å; K2470-K2474 PolarHBondContact O-N 3.07Å; K2470-Q2536 VanDerWaalsContact CG-OE1 3.28Å |
| 2471 | E | 89.4 | Confident | 86.4 | Confident | 52 Ų | 52 | 56.1 Ų | 56.1 | 24% | 0.243 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.9 | -48.3 | 171.7 | -70.8 | 167.5 | -157.8 | 0 | 0 | 110.4 | Q2467 K2468 S2473 K2474 L2475 P2497 | Q2467-E2471 WeakPolarHBondContact CG-OE1 3.3Å; Q2467-E2471 PolarHBondContact NE2-OE1 2.81Å; Q2467-E2471 PolarHBondContact O-N 3.09Å; K2468-E2471 WeakPolarHBondContact CD-OE2 3.44Å; K2468-E2471 IonicContact NZ-OE1 3.16Å; K2468-E2471 IonicContact NZ-OE2 3.71Å; K2468-E2471 PolarHBondContact NZ-OE2 2.86Å; K2468-E2471 WeakPolarHBondContact O-CB 3.2Å; K2468-E2471 PolarHBondContact O-N 2.95Å; K2468-E2471 VanDerWaalsContact O-N 3.14Å; E2471-S2473 VanDerWaalsContact C-N 3.32Å; E2471-S2473 PolarHBondContact O-N 3.14Å; E2471-K2474 WeakPolarHBondContact O-CB 3.32Å; E2471-K2474 PolarHBondContact O-N 3.34Å; E2471-K2474 VanDerWaalsContact O-N 3.08Å; E2471-L2475 WeakPolarHBondContact O-CG 3.23Å; E2471-L2475 PolarHBondContact O-N 3.03Å; E2471-P2497 HydrophobicContact CB-CB 4.01Å; E2471-P2497 HydrophobicContact CB-CG 4.33Å |
| 2472 | L | 90.2 | Very high | 85.3 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -54 | -47.3 | 172 | 179.5 | 162.1 | 0 | 0 | 0 | 112 | K2468 I2469 K2474 L2475 L2476 I2494 L2495 L2498 L2533 V2537 | K2468-L2472 WeakPolarHBondContact O-CB 3.38Å; K2468-L2472 PolarHBondContact O-N 2.85Å; I2469-L2472 PolarHBondContact O-N 3.29Å; L2472-K2474 VanDerWaalsContact C-N 3.32Å; L2472-K2474 PolarHBondContact O-N 3.16Å; L2472-L2475 PolarHBondContact O-N 3.14Å; L2472-L2475 VanDerWaalsContact O-N 3.11Å; L2472-L2476 WeakPolarHBondContact O-CB 3.26Å; L2472-L2476 PolarHBondContact O-N 3.14Å; L2472-I2494 HydrophobicContact CD2-CD1 4.46Å; L2472-I2494 HydrophobicContact CD2-CG2 3.94Å; L2472-I2494 HydrophobicContact CG-CB 4.44Å; L2472-I2494 HydrophobicContact CG-CG2 3.77Å; L2472-I2494 VanDerWaalsContact CG-O 3.3Å; L2472-I2494 WeakPolarHBondContact CG-O 3.47Å; L2472-L2495 HydrophobicContact CD1-CD2 3.99Å; L2472-L2498 HydrophobicContact CD1-CB 4.38Å; L2472-L2498 HydrophobicContact CD1-CD2 4.08Å; L2472-L2533 HydrophobicContact CD1-CD2 4.23Å; L2472-L2533 HydrophobicContact CD2-CD2 4.4Å; L2472-V2537 HydrophobicContact CD2-CG1 4.32Å; L2472-V2537 HydrophobicContact CD2-CG2 4.21Å |
| 2473 | S | 86.6 | Confident | 84.4 | Confident | 16.5 Ų | 16.5 | 61 Ų | 61 | 12% | 0.115 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.6 | -39.3 | 177.9 | -171.9 | 0 | 0 | 0 | 0 | 112.2 | I2469 K2470 E2471 L2476 H2477 Q2536 | I2469-S2473 WeakPolarHBondContact O-CB 3.15Å; I2469-S2473 PolarHBondContact O-N 2.94Å; K2470-S2473 PolarHBondContact O-N 3.3Å; E2471-S2473 VanDerWaalsContact C-N 3.32Å; E2471-S2473 PolarHBondContact O-N 3.14Å; S2473-L2476 PolarHBondContact O-N 2.91Å; S2473-H2477 PolarHBondContact O-N 3.12Å; S2473-H2477 PolarHBondContact O-ND1 3.17Å; S2473-Q2536 PolarHBondContact OG-O 3.44Å |
| 2474 | K | 86.6 | Confident | 83.6 | Confident | 128.5 Ų | 128.5 | 66 Ų | 66 | 56% | 0.559 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.5 | -40.4 | 175.2 | -71.9 | 169.1 | -175.4 | 176.7 | 0 | 112.1 | K2470 E2471 L2472 H2477 Q2478 | K2470-K2474 WeakPolarHBondContact O-CD 3.42Å; K2470-K2474 VanDerWaalsContact O-CG 3.29Å; K2470-K2474 WeakPolarHBondContact O-CG 3.33Å; K2470-K2474 PolarHBondContact O-N 3.07Å; E2471-K2474 WeakPolarHBondContact O-CB 3.32Å; E2471-K2474 PolarHBondContact O-N 3.34Å; E2471-K2474 VanDerWaalsContact O-N 3.08Å; L2472-K2474 VanDerWaalsContact C-N 3.32Å; L2472-K2474 PolarHBondContact O-N 3.16Å; K2474-H2477 PolarHBondContact O-N 3.4Å; K2474-Q2478 VanDerWaalsContact O-CG 3.31Å; K2474-Q2478 WeakPolarHBondContact O-CG 3.2Å; K2474-Q2478 PolarHBondContact O-N 3.03Å; K2474-Q2478 PolarHBondContact O-NE2 2.93Å; K2474-Q2478 VanDerWaalsContact O-NE2 3.14Å |
| 2475 | L | 88.1 | Confident | 82.9 | Confident | 33.5 Ų | 33.5 | 63.5 Ų | 63.5 | 18% | 0.175 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.1 | -42.5 | 177.2 | -64.7 | 175 | 0 | 0 | 0 | 111.3 | E2471 L2472 H2477 Q2478 C2479 I2494 P2497 | E2471-L2475 WeakPolarHBondContact O-CG 3.23Å; E2471-L2475 PolarHBondContact O-N 3.03Å; L2472-L2475 PolarHBondContact O-N 3.14Å; L2472-L2475 VanDerWaalsContact O-N 3.11Å; L2475-H2477 VanDerWaalsContact C-N 3.29Å; L2475-H2477 PolarHBondContact O-N 2.96Å; L2475-Q2478 WeakPolarHBondContact O-CB 3.26Å; L2475-Q2478 PolarHBondContact O-N 3.13Å; L2475-C2479 PolarHBondContact O-N 2.85Å; L2475-C2479 PolarHBondContact O-SG 2.9Å; L2475-I2494 HydrophobicContact CB-CB 4.36Å; L2475-I2494 HydrophobicContact CB-CG1 3.82Å; L2475-I2494 HydrophobicContact CB-CG2 3.96Å; L2475-P2497 HydrophobicContact CD1-CG 3.63Å |
| 2476 | L | 86.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -56.2 | -42.6 | 175.9 | -176.4 | 71.4 | 0 | 0 | 0 | 112.2 | L2472 S2473 Q2478 C2479 I2494 V2537 L2597 H2601 I2604 L2605 | L2472-L2476 WeakPolarHBondContact O-CB 3.26Å; L2472-L2476 PolarHBondContact O-N 3.14Å; S2473-L2476 PolarHBondContact O-N 2.91Å; L2476-Q2478 VanDerWaalsContact C-N 3.27Å; L2476-Q2478 PolarHBondContact O-N 2.75Å; L2476-C2479 WeakPolarHBondContact O-CB 3.43Å; L2476-C2479 PolarHBondContact O-N 2.99Å; L2476-I2494 HydrophobicContact CB-CD1 4.35Å; L2476-I2494 HydrophobicContact CB-CG2 4.43Å; L2476-I2494 HydrophobicContact CD1-CD1 3.97Å; L2476-V2537 HydrophobicContact CD2-CG1 3.63Å; L2476-L2597 HydrophobicContact CD2-CD2 3.83Å; L2476-H2601 HydrophobicContact CD1-CB 4.07Å; L2476-H2601 HydrophobicContact CG-CB 4.34Å; L2476-H2601 PolarHBondContact O-CD2 3.47Å; L2476-H2601 PolarHBondContact O-NE2 2.89Å; L2476-H2601 VanDerWaalsContact O-NE2 3.17Å; L2476-I2604 HydrophobicContact CD1-CB 4.33Å; L2476-I2604 HydrophobicContact CD1-CG2 4.2Å; L2476-L2605 HydrophobicContact CD1-CD2 4.46Å; L2476-L2605 HydrophobicContact CD1-CG 4.25Å; L2476-L2605 HydrophobicContact CD2-CD1 3.89Å; L2476-L2605 HydrophobicContact CD2-CD2 4.07Å; L2476-L2605 HydrophobicContact CD2-CG 4.06Å |
| 2477 | H | 80.5 | Confident | 82.3 | Confident | 70 Ų | 70 | 67.5 Ų | 67.5 | 32% | 0.324 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -13 | 178.8 | -71.7 | 89.9 | 0 | 0 | 0 | 114.1 | S2473 K2474 L2475 R2595 | S2473-H2477 PolarHBondContact O-N 3.12Å; S2473-H2477 PolarHBondContact O-ND1 3.17Å; K2474-H2477 PolarHBondContact O-N 3.4Å; L2475-H2477 VanDerWaalsContact C-N 3.29Å; L2475-H2477 PolarHBondContact O-N 2.96Å; H2477-R2595 WeakPolarHBondContact NE2-CB 3.28Å |
| 2478 | Q | 83.2 | Confident | 82 | Confident | 138 Ų | 138 | 67.4 Ų | 67.4 | 65% | 0.645 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -83.8 | -20 | 172.4 | -70 | 168.9 | 22.5 | 0 | 0 | 112.3 | K2474 L2475 L2476 P2480 | K2474-Q2478 VanDerWaalsContact O-CG 3.31Å; K2474-Q2478 WeakPolarHBondContact O-CG 3.2Å; K2474-Q2478 PolarHBondContact O-N 3.03Å; K2474-Q2478 PolarHBondContact O-NE2 2.93Å; K2474-Q2478 VanDerWaalsContact O-NE2 3.14Å; L2475-Q2478 WeakPolarHBondContact O-CB 3.26Å; L2475-Q2478 PolarHBondContact O-N 3.13Å; L2476-Q2478 VanDerWaalsContact C-N 3.27Å; L2476-Q2478 PolarHBondContact O-N 2.75Å; Q2478-P2480 WeakPolarHBondContact O-CD 3.25Å |
| 2479 | C | 78.4 | Confident | 81.8 | Confident | 13.5 Ų | 13.5 | 68 Ų | 68 | 9% | 0.091 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -65.8 | 123.2 | 175.9 | -74.7 | 0 | 0 | 0 | 0 | 111.4 | L2475 L2476 H2601 I2604 | L2475-C2479 PolarHBondContact O-N 2.85Å; L2475-C2479 PolarHBondContact O-SG 2.9Å; L2476-C2479 WeakPolarHBondContact O-CB 3.43Å; L2476-C2479 PolarHBondContact O-N 2.99Å; C2479-H2601 PolarHBondContact O-NE2 2.9Å; C2479-I2604 HydrophobicContact CB-CD1 4.17Å |
| 2480 | P | 73.7 | Confident | 81.5 | Confident | 71.5 Ų | 71.5 | 68.9 Ų | 68.9 | 46% | 0.464 | 36% | 0.357 | S | S | . | . | trans | -64.5 | 137.7 | 178 | -19 | 30.5 | 0 | 0 | 0 | 111.5 | Q2478 N2482 S2483 R2600 | Q2478-P2480 WeakPolarHBondContact O-CD 3.25Å; P2480-N2482 PolarHBondContact O-N 3.24Å; P2480-N2482 VanDerWaalsContact O-N 3.11Å; P2480-S2483 WeakPolarHBondContact O-CB 3.42Å; P2480-S2483 PolarHBondContact O-N 3.37Å; P2480-R2600 PolarHBondContact O-NH1 2.74Å | ||
| 2481 | P | 68.2 | Low | 81.6 | Confident | 65.5 Ų | 65.5 | 63.9 Ų | 63.9 | 43% | 0.425 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -23.6 | -179 | 24.9 | -34.8 | 0 | 0 | 0 | 113.6 | T2598 R2600 | P2481-T2598 HydrophobicContact CB-CG2 3.73Å; P2481-R2600 WeakPolarHBondContact O-CD 3.41Å |
| 2482 | N | 68.1 | Low | 81.5 | Confident | 151.5 Ų | 151.5 | 67.9 Ų | 67.9 | 81% | 0.81 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | 30.7 | 179.3 | -67.7 | -17.1 | 0 | 0 | 0 | 112.6 | P2480 | P2480-N2482 PolarHBondContact O-N 3.24Å; P2480-N2482 VanDerWaalsContact O-N 3.11Å |
| 2483 | S | 71.9 | Confident | 81.5 | Confident | 28.5 Ų | 28.5 | 73 Ų | 73 | 20% | 0.199 | 38% | 0.377 | C | S | . | . | trans | -64.9 | 141.4 | 177.3 | 172.5 | 0 | 0 | 0 | 0 | 111.9 | P2480 A2485 E2490 R2600 | P2480-S2483 WeakPolarHBondContact O-CB 3.42Å; P2480-S2483 PolarHBondContact O-N 3.37Å; S2483-A2485 VanDerWaalsContact C-N 3.29Å; S2483-A2485 VanDerWaalsContact OG-CB 3.3Å; S2483-A2485 WeakPolarHBondContact OG-CB 3.34Å; S2483-A2485 PolarHBondContact OG-N 2.89Å; S2483-A2485 VanDerWaalsContact OG-N 3.1Å; S2483-E2490 WeakPolarHBondContact CB-OE1 3.27Å; S2483-E2490 PolarHBondContact OG-OE1 3.19Å; S2483-R2600 VanDerWaalsContact CB-CZ 3.43Å; S2483-R2600 VanDerWaalsContact O-CZ 3.28Å; S2483-R2600 PolarHBondContact O-NE 3.15Å; S2483-R2600 PolarHBondContact O-NH1 2.93Å; S2483-R2600 PolarHBondContact O-NH2 3.36Å; S2483-R2600 PolarHBondContact OG-NH2 2.86Å | ||
| 2484 | K | 71.9 | Confident | 81.6 | Confident | 213.5 Ų | 213.5 | 72.2 Ų | 72.2 | 93% | 0.928 | 37% | 0.372 | S | S | * | . | trans | -95.3 | 3.6 | 173.9 | -67.9 | -172.5 | 177.7 | -177.3 | 0 | 113 | ||||
| 2485 | A | 74.1 | Confident | 81.9 | Confident | 48 Ų | 48 | 66.4 Ų | 66.4 | 40% | 0.397 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -68.1 | 161.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S2483 V2487 E2490 R2600 | S2483-A2485 VanDerWaalsContact C-N 3.29Å; S2483-A2485 VanDerWaalsContact OG-CB 3.3Å; S2483-A2485 WeakPolarHBondContact OG-CB 3.34Å; S2483-A2485 PolarHBondContact OG-N 2.89Å; S2483-A2485 VanDerWaalsContact OG-N 3.1Å; A2485-V2487 PolarHBondContact O-N 3.49Å; A2485-E2490 HydrophobicContact CB-CG 4.23Å; A2485-E2490 WeakPolarHBondContact CB-OE1 3.48Å; A2485-R2600 PolarHBondContact O-NH2 3.25Å |
| 2486 | N | 84.3 | Confident | 82.1 | Confident | 78.5 Ų | 78.5 | 69.8 Ų | 69.8 | 42% | 0.42 | 36% | 0.362 | S | S | . | . | trans | -67.8 | 128.9 | 173.8 | -175.3 | 3.3 | 0 | 0 | 0 | 109.6 | E2488 T2489 E2490 | N2486-E2488 PolarHBondContact ND2-OE2 2.79Å; N2486-E2488 PolarHBondContact O-N 3.24Å; N2486-E2488 PolarHBondContact OD1-N 2.85Å; N2486-E2488 VanDerWaalsContact OD1-N 3.15Å; N2486-E2488 PolarHBondContact OD1-OE2 3.06Å; N2486-T2489 HydrophobicContact CB-CG2 4.29Å; N2486-T2489 PolarHBondContact O-N 3.01Å; N2486-T2489 PolarHBondContact O-OG1 3.02Å; N2486-E2490 PolarHBondContact O-N 3.02Å; N2486-E2490 VanDerWaalsContact O-N 3.1Å | ||
| 2487 | V | 83.6 | Confident | 82.3 | Confident | 30 Ų | 30 | 70.9 Ų | 70.9 | 18% | 0.182 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.2 | -34.2 | -179.7 | -166.2 | 0 | 0 | 0 | 0 | 110.8 | A2485 E2490 A2491 Q2603 I2604 I2607 | A2485-V2487 PolarHBondContact O-N 3.49Å; V2487-E2490 PolarHBondContact O-N 2.79Å; V2487-A2491 WeakPolarHBondContact O-CB 3.35Å; V2487-A2491 PolarHBondContact O-N 2.89Å; V2487-Q2603 HydrophobicContact CG1-CB 4.08Å; V2487-I2604 HydrophobicContact CG1-CB 4.32Å; V2487-I2604 HydrophobicContact CG1-CG1 3.61Å; V2487-I2607 HydrophobicContact CB-CD1 4.11Å; V2487-I2607 HydrophobicContact CG1-CD1 3.75Å |
| 2488 | E | 85.3 | Confident | 82.8 | Confident | 110.5 Ų | 110.5 | 67.5 Ų | 67.5 | 52% | 0.516 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.7 | -49 | 177.4 | -62 | 162.3 | 162.7 | 0 | 0 | 111.1 | N2486 E2490 A2491 E2492 I2607 | N2486-E2488 PolarHBondContact ND2-OE2 2.79Å; N2486-E2488 PolarHBondContact O-N 3.24Å; N2486-E2488 PolarHBondContact OD1-N 2.85Å; N2486-E2488 VanDerWaalsContact OD1-N 3.15Å; N2486-E2488 PolarHBondContact OD1-OE2 3.06Å; E2488-E2490 VanDerWaalsContact C-N 3.28Å; E2488-E2490 PolarHBondContact O-N 2.99Å; E2488-A2491 WeakPolarHBondContact O-CB 3.3Å; E2488-A2491 PolarHBondContact O-N 3.17Å; E2488-A2491 VanDerWaalsContact O-N 3.12Å; E2488-E2492 WeakPolarHBondContact O-CG 3.33Å; E2488-E2492 PolarHBondContact O-N 3.14Å; E2488-I2607 HydrophobicContact CG-CD1 4.09Å |
| 2489 | T | 87.2 | Confident | 83.2 | Confident | 71 Ų | 71 | 62.7 Ų | 62.7 | 44% | 0.436 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.5 | -29.2 | 178 | 55.1 | 0 | 0 | 0 | 0 | 113.1 | N2486 H2493 | N2486-T2489 HydrophobicContact CB-CG2 4.29Å; N2486-T2489 PolarHBondContact O-N 3.01Å; N2486-T2489 PolarHBondContact O-OG1 3.02Å; T2489-H2493 WeakPolarHBondContact O-CB 3.4Å; T2489-H2493 PolarHBondContact O-N 2.93Å; T2489-H2493 VanDerWaalsContact O-N 3.09Å |
| 2490 | E | 86.4 | Confident | 83.8 | Confident | 18 Ų | 18 | 65.7 Ų | 65.7 | 8% | 0.084 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -72.7 | -38.5 | 172.4 | -71 | -177.6 | 161.8 | 0 | 0 | 111.4 | S2483 A2485 N2486 V2487 E2488 H2493 I2494 R2600 I2604 | S2483-E2490 WeakPolarHBondContact CB-OE1 3.27Å; S2483-E2490 PolarHBondContact OG-OE1 3.19Å; A2485-E2490 HydrophobicContact CB-CG 4.23Å; A2485-E2490 WeakPolarHBondContact CB-OE1 3.48Å; N2486-E2490 PolarHBondContact O-N 3.02Å; N2486-E2490 VanDerWaalsContact O-N 3.1Å; V2487-E2490 PolarHBondContact O-N 2.79Å; E2488-E2490 VanDerWaalsContact C-N 3.28Å; E2488-E2490 PolarHBondContact O-N 2.99Å; E2490-H2493 PolarHBondContact O-N 3.04Å; E2490-I2494 WeakPolarHBondContact O-CB 3.45Å; E2490-I2494 WeakPolarHBondContact O-CD1 3.44Å; E2490-I2494 VanDerWaalsContact O-CG1 3.32Å; E2490-I2494 WeakPolarHBondContact O-CG1 3.32Å; E2490-I2494 WeakPolarHBondContact O-CG2 3.45Å; E2490-I2494 PolarHBondContact O-N 3.01Å; E2490-R2600 VanDerWaalsContact CD-NH1 3.31Å; E2490-R2600 IonicContact OE1-CZ 3.9Å; E2490-R2600 IonicContact OE1-NH1 3.86Å; E2490-R2600 PolarHBondContact OE1-NH1 2.85Å; E2490-R2600 VanDerWaalsContact OE1-NH1 3.09Å; E2490-R2600 IonicContact OE1-NH2 3.18Å; E2490-R2600 PolarHBondContact OE1-NH2 3.36Å; E2490-R2600 IonicContact OE2-CZ 2.78Å; E2490-R2600 IonicContact OE2-NE 3.7Å; E2490-R2600 PolarHBondContact OE2-NE 3.38Å; E2490-R2600 IonicContact OE2-NH1 3.99Å; E2490-R2600 PolarHBondContact OE2-NH1 2.82Å; E2490-R2600 IonicContact OE2-NH2 3Å; E2490-R2600 PolarHBondContact OE2-NH2 2.84Å; E2490-I2604 HydrophobicContact CB-CD1 4.19Å; E2490-I2604 HydrophobicContact CB-CG1 4.39Å; E2490-I2604 WeakPolarHBondContact OE2-CD1 3.41Å |
| 2491 | A | 88.7 | Confident | 84.6 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.008 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V2487 E2488 I2494 L2495 I2604 I2607 | V2487-A2491 WeakPolarHBondContact O-CB 3.35Å; V2487-A2491 PolarHBondContact O-N 2.89Å; E2488-A2491 WeakPolarHBondContact O-CB 3.3Å; E2488-A2491 PolarHBondContact O-N 3.17Å; E2488-A2491 VanDerWaalsContact O-N 3.12Å; A2491-I2494 WeakPolarHBondContact O-CG1 3.48Å; A2491-I2494 PolarHBondContact O-N 3.49Å; A2491-L2495 VanDerWaalsContact O-CB 3.27Å; A2491-L2495 WeakPolarHBondContact O-CB 3.45Å; A2491-L2495 VanDerWaalsContact O-CG 3.28Å; A2491-L2495 WeakPolarHBondContact O-CG 3.36Å; A2491-L2495 PolarHBondContact O-N 2.79Å; A2491-L2495 VanDerWaalsContact O-N 3.13Å; A2491-I2604 HydrophobicContact CB-CG2 4.08Å; A2491-I2607 HydrophobicContact CB-CB 3.92Å; A2491-I2607 HydrophobicContact CB-CG2 3.65Å |
| 2492 | E | 87.9 | Confident | 85.6 | Confident | 136 Ų | 136 | 60.4 Ų | 60.4 | 64% | 0.636 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -58 | -47.7 | 172.9 | -71.7 | 175.2 | 167.9 | 0 | 0 | 111.6 | E2488 I2494 L2495 H2496 | E2488-E2492 WeakPolarHBondContact O-CG 3.33Å; E2488-E2492 PolarHBondContact O-N 3.14Å; E2492-I2494 PolarHBondContact O-N 2.89Å; E2492-L2495 PolarHBondContact O-N 2.85Å; E2492-H2496 PolarHBondContact O-N 2.88Å; E2492-H2496 VanDerWaalsContact O-N 3.1Å |
| 2493 | H | 89.7 | Confident | 86.6 | Confident | 109.5 Ų | 109.5 | 58.6 Ų | 58.6 | 51% | 0.507 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | -180 | -179 | 61 | 0 | 0 | 0 | 113 | T2489 E2490 L2495 | T2489-H2493 WeakPolarHBondContact O-CB 3.4Å; T2489-H2493 PolarHBondContact O-N 2.93Å; T2489-H2493 VanDerWaalsContact O-N 3.09Å; E2490-H2493 PolarHBondContact O-N 3.04Å; H2493-L2495 VanDerWaalsContact C-N 3.28Å; H2493-L2495 PolarHBondContact O-N 2.98Å |
| 2494 | I | 90.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.2 | -31.5 | 178.8 | -5.1 | 162.1 | 0 | 0 | 0 | 112 | L2472 L2475 L2476 E2490 A2491 E2492 P2497 I2604 L2605 A2608 | L2472-I2494 HydrophobicContact CD2-CD1 4.46Å; L2472-I2494 HydrophobicContact CD2-CG2 3.94Å; L2472-I2494 HydrophobicContact CG-CB 4.44Å; L2472-I2494 HydrophobicContact CG-CG2 3.77Å; L2472-I2494 VanDerWaalsContact CG-O 3.3Å; L2472-I2494 WeakPolarHBondContact CG-O 3.47Å; L2475-I2494 HydrophobicContact CB-CB 4.36Å; L2475-I2494 HydrophobicContact CB-CG1 3.82Å; L2475-I2494 HydrophobicContact CB-CG2 3.96Å; L2476-I2494 HydrophobicContact CB-CD1 4.35Å; L2476-I2494 HydrophobicContact CB-CG2 4.43Å; L2476-I2494 HydrophobicContact CD1-CD1 3.97Å; E2490-I2494 WeakPolarHBondContact O-CB 3.45Å; E2490-I2494 WeakPolarHBondContact O-CD1 3.44Å; E2490-I2494 VanDerWaalsContact O-CG1 3.32Å; E2490-I2494 WeakPolarHBondContact O-CG1 3.32Å; E2490-I2494 WeakPolarHBondContact O-CG2 3.45Å; E2490-I2494 PolarHBondContact O-N 3.01Å; A2491-I2494 WeakPolarHBondContact O-CG1 3.48Å; A2491-I2494 PolarHBondContact O-N 3.49Å; E2492-I2494 PolarHBondContact O-N 2.89Å; I2494-P2497 WeakPolarHBondContact O-CD 3.34Å; I2494-I2604 HydrophobicContact CD1-CG2 3.47Å; I2494-I2604 VanDerWaalsContact CD1-CG2 3.47Å; I2494-I2604 HydrophobicContact CG1-CG2 4.03Å; I2494-L2605 HydrophobicContact CD1-CD2 4.38Å; I2494-A2608 HydrophobicContact CD1-CB 4.22Å |
| 2495 | L | 91.7 | Very high | 88.3 | Confident | 7 Ų | 7 | 51.9 Ų | 51.9 | 4% | 0.037 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -77.8 | -30.2 | -178.6 | -86.7 | -179.9 | 0 | 0 | 0 | 114.1 | L2472 A2491 E2492 H2493 P2497 L2498 M2499 A2608 A2611 I2612 | L2472-L2495 HydrophobicContact CD1-CD2 3.99Å; A2491-L2495 VanDerWaalsContact O-CB 3.27Å; A2491-L2495 WeakPolarHBondContact O-CB 3.45Å; A2491-L2495 VanDerWaalsContact O-CG 3.28Å; A2491-L2495 WeakPolarHBondContact O-CG 3.36Å; A2491-L2495 PolarHBondContact O-N 2.79Å; A2491-L2495 VanDerWaalsContact O-N 3.13Å; E2492-L2495 PolarHBondContact O-N 2.85Å; H2493-L2495 VanDerWaalsContact C-N 3.28Å; H2493-L2495 PolarHBondContact O-N 2.98Å; L2495-P2497 VanDerWaalsContact C-CD 3.42Å; L2495-P2497 VanDerWaalsContact C-N 3.35Å; L2495-P2497 WeakPolarHBondContact O-CD 3.32Å; L2495-P2497 VanDerWaalsContact O-N 3.12Å; L2495-L2498 WeakPolarHBondContact O-CB 3.46Å; L2495-L2498 PolarHBondContact O-N 3.1Å; L2495-M2499 HydrophobicContact CB-CG 3.81Å; L2495-M2499 HydrophobicContact CD1-CG 4.46Å; L2495-M2499 HydrophobicContact CD1-SD 4.4Å; L2495-M2499 HydrophobicContact CD2-CG 4.49Å; L2495-M2499 HydrophobicContact CD2-SD 4.43Å; L2495-M2499 HydrophobicContact CG-CG 4.49Å; L2495-M2499 WeakPolarHBondContact O-CG 3.31Å; L2495-M2499 PolarHBondContact O-N 2.97Å; L2495-A2608 HydrophobicContact CD1-CB 3.77Å; L2495-A2608 HydrophobicContact CD2-CB 3.93Å; L2495-A2608 HydrophobicContact CG-CB 3.74Å; L2495-A2611 HydrophobicContact CD1-CB 3.61Å; L2495-I2612 HydrophobicContact CD2-CD1 3.71Å; L2495-I2612 HydrophobicContact CD2-CG1 3.7Å |
| 2496 | H | 91.8 | Very high | 89.1 | Confident | 105 Ų | 105 | 50.5 Ų | 50.5 | 49% | 0.486 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -42.6 | -47.5 | -173.3 | 179 | 44.1 | 0 | 0 | 0 | 114.7 | E2492 L2498 M2499 D2500 | E2492-H2496 PolarHBondContact O-N 2.88Å; E2492-H2496 VanDerWaalsContact O-N 3.1Å; H2496-L2498 VanDerWaalsContact C-N 3.26Å; H2496-L2498 PolarHBondContact O-N 3.09Å; H2496-L2498 VanDerWaalsContact O-N 3.11Å; H2496-M2499 PolarHBondContact O-N 2.87Å; H2496-D2500 IonicContact CE1-OD1 3.36Å; H2496-D2500 PolarHBondContact CE1-OD1 3.12Å; H2496-D2500 VanDerWaalsContact CE1-OD1 3.31Å; H2496-D2500 IonicContact CE1-OD2 3.71Å; H2496-D2500 PolarHBondContact CE1-OD2 2.93Å; H2496-D2500 IonicContact CG-OD1 3.29Å; H2496-D2500 VanDerWaalsContact ND1-CG 3.31Å; H2496-D2500 IonicContact ND1-OD1 3.18Å; H2496-D2500 PolarHBondContact ND1-OD1 2.93Å; H2496-D2500 IonicContact ND1-OD2 3.84Å; H2496-D2500 PolarHBondContact ND1-OD2 3.05Å; H2496-D2500 IonicContact NE2-OD2 3.44Å; H2496-D2500 PolarHBondContact NE2-OD2 3.28Å; H2496-D2500 WeakPolarHBondContact O-CB 3.47Å; H2496-D2500 VanDerWaalsContact O-CG 3.3Å; H2496-D2500 PolarHBondContact O-N 2.94Å; H2496-D2500 VanDerWaalsContact O-N 3.1Å |
| 2497 | P | 90.6 | Very high | 89.3 | Confident | 22 Ų | 22 | 49.7 Ų | 49.7 | 14% | 0.143 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.5 | -28.4 | 179.3 | -21.9 | 33.5 | 0 | 0 | 0 | 115 | K2468 E2471 L2475 I2494 L2495 | K2468-P2497 HydrophobicContact CD-CB 4.44Å; K2468-P2497 WeakPolarHBondContact CD-O 3.43Å; K2468-P2497 WeakPolarHBondContact CE-O 3.42Å; K2468-P2497 VanDerWaalsContact CG-O 3.29Å; K2468-P2497 WeakPolarHBondContact CG-O 3.3Å; E2471-P2497 HydrophobicContact CB-CB 4.01Å; E2471-P2497 HydrophobicContact CB-CG 4.33Å; L2475-P2497 HydrophobicContact CD1-CG 3.63Å; I2494-P2497 WeakPolarHBondContact O-CD 3.34Å; L2495-P2497 VanDerWaalsContact C-CD 3.42Å; L2495-P2497 VanDerWaalsContact C-N 3.35Å; L2495-P2497 WeakPolarHBondContact O-CD 3.32Å; L2495-P2497 VanDerWaalsContact O-N 3.12Å |
| 2498 | L | 92 | Very high | 89.6 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -89.1 | -37.8 | 179.3 | -175.9 | 64.1 | 0 | 0 | 0 | 111.4 | I2465 K2468 I2469 L2472 L2495 H2496 H2501 Y2502 T2529 I2612 | I2465-L2498 HydrophobicContact CG2-CD1 4.48Å; K2468-L2498 HydrophobicContact CB-CB 4.41Å; K2468-L2498 HydrophobicContact CB-CD1 3.85Å; I2469-L2498 HydrophobicContact CG1-CD1 4.3Å; I2469-L2498 HydrophobicContact CG1-CD2 4.35Å; L2472-L2498 HydrophobicContact CD1-CB 4.38Å; L2472-L2498 HydrophobicContact CD1-CD2 4.08Å; L2495-L2498 WeakPolarHBondContact O-CB 3.46Å; L2495-L2498 PolarHBondContact O-N 3.1Å; H2496-L2498 VanDerWaalsContact C-N 3.26Å; H2496-L2498 PolarHBondContact O-N 3.09Å; H2496-L2498 VanDerWaalsContact O-N 3.11Å; L2498-H2501 PolarHBondContact O-N 3.01Å; L2498-Y2502 HydrophobicContact CD1-CD2 4.09Å; L2498-Y2502 HydrophobicContact CD1-CE2 3.51Å; L2498-Y2502 VanDerWaalsContact CD1-CE2 3.49Å; L2498-Y2502 HydrophobicContact CD2-CE2 4.15Å; L2498-Y2502 HydrophobicContact CG-CD2 3.91Å; L2498-Y2502 HydrophobicContact CG-CE2 3.62Å; L2498-Y2502 VanDerWaalsContact O-CD2 3.3Å; L2498-Y2502 WeakPolarHBondContact O-CD2 3.35Å; L2498-Y2502 PolarHBondContact O-N 3.35Å; L2498-Y2502 VanDerWaalsContact O-N 3.16Å; L2498-T2529 HydrophobicContact CD2-CG2 4.32Å; L2498-I2612 HydrophobicContact CD2-CD1 3.94Å |
| 2499 | M | 91.3 | Very high | 90 | Very high | 36.5 Ų | 36.5 | 44.5 Ų | 44.5 | 18% | 0.18 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.3 | -44.7 | -179.2 | -64 | -63.7 | -68.3 | 0 | 0 | 111.8 | L2495 H2496 H2501 Y2502 E2503 I2612 Y2615 | L2495-M2499 HydrophobicContact CB-CG 3.81Å; L2495-M2499 HydrophobicContact CD1-CG 4.46Å; L2495-M2499 HydrophobicContact CD1-SD 4.4Å; L2495-M2499 HydrophobicContact CD2-CG 4.49Å; L2495-M2499 HydrophobicContact CD2-SD 4.43Å; L2495-M2499 HydrophobicContact CG-CG 4.49Å; L2495-M2499 WeakPolarHBondContact O-CG 3.31Å; L2495-M2499 PolarHBondContact O-N 2.97Å; H2496-M2499 PolarHBondContact O-N 2.87Å; M2499-H2501 VanDerWaalsContact C-N 3.28Å; M2499-H2501 PolarHBondContact O-N 3Å; M2499-Y2502 CarbonylContact O-C 3.54Å; M2499-Y2502 WeakPolarHBondContact O-CA 3.42Å; M2499-Y2502 PolarHBondContact O-N 2.86Å; M2499-Y2502 VanDerWaalsContact O-N 3.13Å; M2499-E2503 PolarHBondContact O-N 2.91Å; M2499-I2612 HydrophobicContact SD-CG1 4.46Å; M2499-Y2615 HydrophobicContact CE-CD1 4.26Å; M2499-Y2615 HydrophobicContact CE-CD2 3.16Å; M2499-Y2615 HydrophobicContact CE-CE2 3.7Å; M2499-Y2615 HydrophobicContact CE-CG 3.47Å; M2499-Y2615 VanDerWaalsContact CE-CG 3.47Å; M2499-Y2615 HydrophobicContact SD-CD2 4.48Å; M2499-Y2615 HydrophobicContact SD-CG 4.28Å |
| 2500 | D | 90.4 | Very high | 90.1 | Very high | 76.5 Ų | 76.5 | 43.6 Ų | 43.6 | 41% | 0.409 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.7 | -38.7 | 176.2 | -69.5 | 18.8 | 0 | 0 | 0 | 112 | H2496 E2503 S2504 | H2496-D2500 IonicContact CE1-OD1 3.36Å; H2496-D2500 PolarHBondContact CE1-OD1 3.12Å; H2496-D2500 VanDerWaalsContact CE1-OD1 3.31Å; H2496-D2500 IonicContact CE1-OD2 3.71Å; H2496-D2500 PolarHBondContact CE1-OD2 2.93Å; H2496-D2500 IonicContact CG-OD1 3.29Å; H2496-D2500 VanDerWaalsContact ND1-CG 3.31Å; H2496-D2500 IonicContact ND1-OD1 3.18Å; H2496-D2500 PolarHBondContact ND1-OD1 2.93Å; H2496-D2500 IonicContact ND1-OD2 3.84Å; H2496-D2500 PolarHBondContact ND1-OD2 3.05Å; H2496-D2500 IonicContact NE2-OD2 3.44Å; H2496-D2500 PolarHBondContact NE2-OD2 3.28Å; H2496-D2500 WeakPolarHBondContact O-CB 3.47Å; H2496-D2500 VanDerWaalsContact O-CG 3.3Å; H2496-D2500 PolarHBondContact O-N 2.94Å; H2496-D2500 VanDerWaalsContact O-N 3.1Å; D2500-E2503 PolarHBondContact O-N 3.01Å; D2500-S2504 PolarHBondContact O-N 2.9Å; D2500-S2504 VanDerWaalsContact O-N 3.16Å |
| 2501 | H | 90.6 | Very high | 90.3 | Very high | 23 Ų | 23 | 48.4 Ų | 48.4 | 11% | 0.106 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 176.1 | 176.7 | 54.5 | 0 | 0 | 0 | 111.3 | Q2464 K2468 L2498 M2499 T2505 | Q2464-H2501 PolarHBondContact OE1-CE1 2.97Å; K2468-H2501 HydrophobicContact CG-CB 4.05Å; L2498-H2501 PolarHBondContact O-N 3.01Å; M2499-H2501 VanDerWaalsContact C-N 3.28Å; M2499-H2501 PolarHBondContact O-N 3Å; H2501-T2505 PolarHBondContact CE1-OG1 2.93Å; H2501-T2505 PolarHBondContact ND1-OG1 2.73Å; H2501-T2505 VanDerWaalsContact O-CB 3.28Å; H2501-T2505 WeakPolarHBondContact O-CB 3.42Å; H2501-T2505 PolarHBondContact O-N 3.11Å; H2501-T2505 PolarHBondContact O-OG1 3.03Å |
| 2502 | Y | 90.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.1 | -31.5 | 174.8 | -76.9 | -50.5 | 0 | 0 | 0 | 113.3 | I2465 L2498 M2499 T2505 L2506 T2529 F2616 | I2465-Y2502 HydrophobicContact CD1-CE1 4.39Å; I2465-Y2502 HydrophobicContact CG1-CE1 4.37Å; I2465-Y2502 WeakPolarHBondContact CG2-OH 3.28Å; L2498-Y2502 HydrophobicContact CD1-CD2 4.09Å; L2498-Y2502 HydrophobicContact CD1-CE2 3.51Å; L2498-Y2502 VanDerWaalsContact CD1-CE2 3.49Å; L2498-Y2502 HydrophobicContact CD2-CE2 4.15Å; L2498-Y2502 HydrophobicContact CG-CD2 3.91Å; L2498-Y2502 HydrophobicContact CG-CE2 3.62Å; L2498-Y2502 VanDerWaalsContact O-CD2 3.3Å; L2498-Y2502 WeakPolarHBondContact O-CD2 3.35Å; L2498-Y2502 PolarHBondContact O-N 3.35Å; L2498-Y2502 VanDerWaalsContact O-N 3.16Å; M2499-Y2502 CarbonylContact O-C 3.54Å; M2499-Y2502 WeakPolarHBondContact O-CA 3.42Å; M2499-Y2502 PolarHBondContact O-N 2.86Å; M2499-Y2502 VanDerWaalsContact O-N 3.13Å; Y2502-T2505 PolarHBondContact O-N 3.28Å; Y2502-L2506 HydrophobicContact CD1-CD1 4.12Å; Y2502-L2506 HydrophobicContact CD1-CD2 4.21Å; Y2502-L2506 HydrophobicContact CD1-CG 3.97Å; Y2502-L2506 HydrophobicContact CG-CD1 4.37Å; Y2502-L2506 HydrophobicContact CG-CG 4.44Å; Y2502-L2506 WeakPolarHBondContact O-CB 3.37Å; Y2502-L2506 VanDerWaalsContact O-CG 3.31Å; Y2502-L2506 WeakPolarHBondContact O-CG 3.4Å; Y2502-L2506 PolarHBondContact O-N 3.1Å; Y2502-T2529 HydrophobicContact CE2-CG2 4.2Å; Y2502-T2529 PolarHBondContact OH-OG1 2.81Å; Y2502-F2616 HydrophobicContact CD1-CZ 4.37Å; Y2502-F2616 HydrophobicContact CD2-CE2 4.28Å; Y2502-F2616 HydrophobicContact CE1-CE2 4.28Å; Y2502-F2616 AromaticContact CE1-CZ 3.88Å; Y2502-F2616 HydrophobicContact CE1-CZ 3.88Å; Y2502-F2616 AromaticContact CE2-CE2 3.95Å; Y2502-F2616 HydrophobicContact CE2-CE2 3.95Å; Y2502-F2616 HydrophobicContact CE2-CZ 4.27Å; Y2502-F2616 AromaticContact CZ-CZ 3.84Å |
| 2503 | E | 89.2 | Confident | 90.6 | Very high | 114 Ų | 114 | 43.2 Ų | 43.2 | 53% | 0.533 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.1 | -48.2 | 176.2 | -172.4 | 166.6 | -169.1 | 0 | 0 | 111.7 | M2499 D2500 S2507 Y2615 | M2499-E2503 PolarHBondContact O-N 2.91Å; D2500-E2503 PolarHBondContact O-N 3.01Å; E2503-S2507 VanDerWaalsContact O-CB 3.24Å; E2503-S2507 WeakPolarHBondContact O-CB 3.29Å; E2503-S2507 PolarHBondContact O-N 2.77Å; E2503-S2507 PolarHBondContact O-OG 3.22Å; E2503-Y2615 WeakPolarHBondContact CA-OH 3.12Å; E2503-Y2615 WeakPolarHBondContact CB-OH 3.27Å; E2503-Y2615 WeakPolarHBondContact CG-OH 2.94Å; E2503-Y2615 PolarHBondContact N-OH 2.85Å |
| 2504 | S | 89.4 | Confident | 90.8 | Very high | 89.5 Ų | 89.5 | 40.4 Ų | 40.4 | 63% | 0.626 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -66.6 | -43.7 | 175 | 179.6 | 0 | 0 | 0 | 0 | 112.2 | D2500 A2508 | D2500-S2504 PolarHBondContact O-N 2.9Å; D2500-S2504 VanDerWaalsContact O-N 3.16Å; S2504-A2508 WeakPolarHBondContact O-CB 3.39Å; S2504-A2508 PolarHBondContact O-N 3.13Å |
| 2505 | T | 89.8 | Confident | 90.9 | Very high | 12 Ų | 12 | 48.1 Ų | 48.1 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -74.6 | -50.1 | -173.3 | -52.5 | 0 | 0 | 0 | 0 | 112.1 | L2461 H2501 Y2502 A2508 L2509 | L2461-T2505 HydrophobicContact CD1-CG2 4.26Å; H2501-T2505 PolarHBondContact CE1-OG1 2.93Å; H2501-T2505 PolarHBondContact ND1-OG1 2.73Å; H2501-T2505 VanDerWaalsContact O-CB 3.28Å; H2501-T2505 WeakPolarHBondContact O-CB 3.42Å; H2501-T2505 PolarHBondContact O-N 3.11Å; H2501-T2505 PolarHBondContact O-OG1 3.03Å; Y2502-T2505 PolarHBondContact O-N 3.28Å; T2505-A2508 PolarHBondContact O-N 3.24Å; T2505-L2509 HydrophobicContact CG2-CD1 4.06Å; T2505-L2509 HydrophobicContact CG2-CG 4.45Å; T2505-L2509 WeakPolarHBondContact O-CB 3.18Å; T2505-L2509 VanDerWaalsContact O-CG 3.28Å; T2505-L2509 WeakPolarHBondContact O-CG 3.4Å; T2505-L2509 PolarHBondContact O-N 3.34Å |
| 2506 | L | 90 | Very high | 90.9 | Very high | 19 Ų | 19 | 49.7 Ų | 49.7 | 10% | 0.099 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -72.8 | -34.4 | -174.2 | -59.7 | -172.5 | 0 | 0 | 0 | 112.4 | Y2502 L2509 A2510 L2522 L2525 Y2615 | Y2502-L2506 HydrophobicContact CD1-CD1 4.12Å; Y2502-L2506 HydrophobicContact CD1-CD2 4.21Å; Y2502-L2506 HydrophobicContact CD1-CG 3.97Å; Y2502-L2506 HydrophobicContact CG-CD1 4.37Å; Y2502-L2506 HydrophobicContact CG-CG 4.44Å; Y2502-L2506 WeakPolarHBondContact O-CB 3.37Å; Y2502-L2506 VanDerWaalsContact O-CG 3.31Å; Y2502-L2506 WeakPolarHBondContact O-CG 3.4Å; Y2502-L2506 PolarHBondContact O-N 3.1Å; L2506-L2509 HydrophobicContact CD2-CD1 4.39Å; L2506-L2509 PolarHBondContact O-N 3.25Å; L2506-A2510 WeakPolarHBondContact O-CB 3.48Å; L2506-A2510 PolarHBondContact O-N 3.3Å; L2506-L2522 HydrophobicContact CD1-CD2 4.09Å; L2506-L2522 HydrophobicContact CD2-CD2 3.68Å; L2506-L2522 HydrophobicContact CG-CD2 4.43Å; L2506-L2525 HydrophobicContact CD2-CD1 3.91Å; L2506-Y2615 HydrophobicContact CD1-CD1 3.92Å; L2506-Y2615 HydrophobicContact CD1-CE1 3.93Å |
| 2507 | S | 89.5 | Confident | 91.1 | Very high | 60.5 Ų | 60.5 | 44.8 Ų | 44.8 | 42% | 0.423 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.5 | -49.7 | 174.3 | -54.5 | 0 | 0 | 0 | 0 | 110.4 | E2503 L2509 A2510 D2511 | E2503-S2507 VanDerWaalsContact O-CB 3.24Å; E2503-S2507 WeakPolarHBondContact O-CB 3.29Å; E2503-S2507 PolarHBondContact O-N 2.77Å; E2503-S2507 PolarHBondContact O-OG 3.22Å; S2507-L2509 VanDerWaalsContact C-N 3.33Å; S2507-L2509 PolarHBondContact O-N 3.18Å; S2507-A2510 WeakPolarHBondContact O-CA 3.15Å; S2507-A2510 WeakPolarHBondContact O-CB 3.3Å; S2507-A2510 PolarHBondContact O-N 3.08Å; S2507-A2510 VanDerWaalsContact O-N 3.16Å; S2507-D2511 PolarHBondContact O-N 2.84Å; S2507-D2511 VanDerWaalsContact O-N 3.14Å |
| 2508 | A | 90.3 | Very high | 91.2 | Very high | 31.5 Ų | 31.5 | 44.6 Ų | 44.6 | 26% | 0.26 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.6 | -36.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q2402 S2504 T2505 A2510 D2511 L2512 | Q2402-A2508 VanDerWaalsContact NE2-CB 3.28Å; S2504-A2508 WeakPolarHBondContact O-CB 3.39Å; S2504-A2508 PolarHBondContact O-N 3.13Å; T2505-A2508 PolarHBondContact O-N 3.24Å; A2508-A2510 VanDerWaalsContact C-N 3.32Å; A2508-A2510 PolarHBondContact O-N 2.98Å; A2508-D2511 PolarHBondContact O-N 3.11Å; A2508-L2512 WeakPolarHBondContact O-CB 3.3Å; A2508-L2512 VanDerWaalsContact O-CD1 3.3Å; A2508-L2512 WeakPolarHBondContact O-CD1 3.43Å; A2508-L2512 WeakPolarHBondContact O-CG 3.46Å; A2508-L2512 PolarHBondContact O-N 2.73Å; A2508-L2512 VanDerWaalsContact O-N 3.09Å |
| 2509 | L | 92.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.3 | -33.7 | 172.5 | -71.1 | 178.1 | 0 | 0 | 0 | 112.7 | C2406 Y2457 T2505 L2506 S2507 D2511 L2512 C2513 L2518 L2521 L2525 | C2406-L2509 VanDerWaalsContact SG-CD2 3.56Å; Y2457-L2509 HydrophobicContact CE1-CD2 3.93Å; T2505-L2509 HydrophobicContact CG2-CD1 4.06Å; T2505-L2509 HydrophobicContact CG2-CG 4.45Å; T2505-L2509 WeakPolarHBondContact O-CB 3.18Å; T2505-L2509 VanDerWaalsContact O-CG 3.28Å; T2505-L2509 WeakPolarHBondContact O-CG 3.4Å; T2505-L2509 PolarHBondContact O-N 3.34Å; L2506-L2509 HydrophobicContact CD2-CD1 4.39Å; L2506-L2509 PolarHBondContact O-N 3.25Å; S2507-L2509 VanDerWaalsContact C-N 3.33Å; S2507-L2509 PolarHBondContact O-N 3.18Å; L2509-D2511 VanDerWaalsContact C-N 3.3Å; L2509-D2511 PolarHBondContact O-N 2.82Å; L2509-L2512 PolarHBondContact O-N 2.83Å; L2509-C2513 WeakPolarHBondContact O-CB 3.45Å; L2509-C2513 PolarHBondContact O-N 2.91Å; L2509-C2513 PolarHBondContact O-SG 2.82Å; L2509-C2513 VanDerWaalsContact O-SG 3.32Å; L2509-L2518 HydrophobicContact CB-CD1 4.06Å; L2509-L2521 HydrophobicContact CD2-CD1 4.27Å; L2509-L2525 HydrophobicContact CD1-CD1 4.01Å |
| 2510 | A | 89.9 | Confident | 91.4 | Very high | 51 Ų | 51 | 49.9 Ų | 49.9 | 42% | 0.421 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.6 | -33 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L2506 S2507 A2508 L2518 | L2506-A2510 WeakPolarHBondContact O-CB 3.48Å; L2506-A2510 PolarHBondContact O-N 3.3Å; S2507-A2510 WeakPolarHBondContact O-CA 3.15Å; S2507-A2510 WeakPolarHBondContact O-CB 3.3Å; S2507-A2510 PolarHBondContact O-N 3.08Å; S2507-A2510 VanDerWaalsContact O-N 3.16Å; A2508-A2510 VanDerWaalsContact C-N 3.32Å; A2508-A2510 PolarHBondContact O-N 2.98Å; A2510-L2518 HydrophobicContact CB-CD2 4.15Å |
| 2511 | D | 89.8 | Confident | 91.5 | Very high | 119.5 Ų | 119.5 | 46.3 Ų | 46.3 | 64% | 0.639 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -79.8 | -24.6 | 176.2 | -64.4 | -26.9 | 0 | 0 | 0 | 113.4 | S2507 A2508 L2509 | S2507-D2511 PolarHBondContact O-N 2.84Å; S2507-D2511 VanDerWaalsContact O-N 3.14Å; A2508-D2511 PolarHBondContact O-N 3.11Å; L2509-D2511 VanDerWaalsContact C-N 3.3Å; L2509-D2511 PolarHBondContact O-N 2.82Å |
| 2512 | L | 91.7 | Very high | 91.7 | Very high | 22 Ų | 22 | 45.6 Ų | 45.6 | 12% | 0.115 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -97.7 | -28.3 | -176.1 | -62.4 | 167.9 | 0 | 0 | 0 | 113.9 | Q2402 E2403 C2406 N2410 A2508 L2509 | Q2402-L2512 HydrophobicContact CG-CD1 3.68Å; E2403-L2512 HydrophobicContact CB-CD2 4.1Å; E2403-L2512 HydrophobicContact CG-CD2 3.91Å; C2406-L2512 HydrophobicContact CB-CB 3.72Å; N2410-L2512 PolarHBondContact ND2-O 2.86Å; A2508-L2512 WeakPolarHBondContact O-CB 3.3Å; A2508-L2512 VanDerWaalsContact O-CD1 3.3Å; A2508-L2512 WeakPolarHBondContact O-CD1 3.43Å; A2508-L2512 WeakPolarHBondContact O-CG 3.46Å; A2508-L2512 PolarHBondContact O-N 2.73Å; A2508-L2512 VanDerWaalsContact O-N 3.09Å; L2509-L2512 PolarHBondContact O-N 2.83Å |
| 2513 | C | 92.9 | Very high | 91.8 | Very high | 5.5 Ų | 5.5 | 49.1 Ų | 49.1 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -103.4 | 142.7 | -171.2 | -64.2 | 0 | 0 | 0 | 0 | 113.4 | C2406 L2509 V2517 L2518 L2521 | C2406-C2513 PolarHBondContact SG-SG 3.21Å; L2509-C2513 WeakPolarHBondContact O-CB 3.45Å; L2509-C2513 PolarHBondContact O-N 2.91Å; L2509-C2513 PolarHBondContact O-SG 2.82Å; L2509-C2513 VanDerWaalsContact O-SG 3.32Å; C2513-V2517 HydrophobicContact CB-CB 4.21Å; C2513-V2517 HydrophobicContact CB-CG1 4.09Å; C2513-L2518 HydrophobicContact CB-CB 3.92Å; C2513-L2521 VanDerWaalsContact SG-CD1 3.58Å |
| 2514 | E | 93.1 | Very high | 92 | Very high | 50 Ų | 50 | 45.5 Ų | 45.5 | 23% | 0.234 | 25% | 0.246 | C | C | . | . | trans | -63.7 | 149.6 | 164.5 | -161.1 | -114.6 | 78.2 | 0 | 0 | 110.4 | L2339 N2410 Q2413 T2516 V2517 L2518 | L2339-E2514 HydrophobicContact CD1-CB 4.38Å; N2410-E2514 PolarHBondContact OD1-N 3.26Å; Q2413-E2514 VanDerWaalsContact CD-OE2 3.27Å; Q2413-E2514 HydrophobicContact CG-CB 4.46Å; Q2413-E2514 HydrophobicContact CG-CG 4.45Å; Q2413-E2514 WeakPolarHBondContact CG-OE2 3.27Å; Q2413-E2514 PolarHBondContact NE2-OE2 3.17Å; E2514-T2516 PolarHBondContact O-N 2.9Å; E2514-T2516 WeakPolarHBondContact OE1-CB 3.36Å; E2514-T2516 PolarHBondContact OE1-N 2.86Å; E2514-T2516 PolarHBondContact OE1-OG1 2.97Å; E2514-V2517 HydrophobicContact CB-CG2 4.44Å; E2514-V2517 WeakPolarHBondContact O-CA 3.35Å; E2514-V2517 WeakPolarHBondContact O-CB 3.24Å; E2514-V2517 PolarHBondContact O-N 3.28Å; E2514-L2518 PolarHBondContact O-N 3.26Å | ||
| 2515 | K | 91.9 | Very high | 92.2 | Very high | 162 Ų | 162 | 41.3 Ų | 41.3 | 70% | 0.704 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -52.1 | -33.1 | -173.6 | -69.5 | 179.3 | 179.8 | 174 | 0 | 113.5 | K2519 | K2515-K2519 WeakPolarHBondContact O-CB 3.31Å; K2515-K2519 WeakPolarHBondContact O-CD 3.4Å; K2515-K2519 VanDerWaalsContact O-CG 3.31Å; K2515-K2519 WeakPolarHBondContact O-CG 3.29Å; K2515-K2519 PolarHBondContact O-N 2.99Å; K2515-K2519 VanDerWaalsContact O-N 3.14Å |
| 2516 | T | 92.9 | Very high | 92.4 | Very high | 42 Ų | 42 | 40.8 Ų | 40.8 | 26% | 0.258 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -72.6 | -43.5 | 177.8 | -52.1 | 0 | 0 | 0 | 0 | 111.9 | Q2413 E2514 R2520 | Q2413-T2516 PolarHBondContact NE2-OG1 2.78Å; E2514-T2516 PolarHBondContact O-N 2.9Å; E2514-T2516 WeakPolarHBondContact OE1-CB 3.36Å; E2514-T2516 PolarHBondContact OE1-N 2.86Å; E2514-T2516 PolarHBondContact OE1-OG1 2.97Å; T2516-R2520 WeakPolarHBondContact O-CG 3.32Å; T2516-R2520 PolarHBondContact O-N 3.13Å |
| 2517 | V | 94.6 | Very high | 92.5 | Very high | 0.5 Ų | 0.5 | 43.9 Ų | 43.9 | 0% | 0.003 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.6 | -48.1 | 176.5 | 176.4 | 0 | 0 | 0 | 0 | 109.9 | M2409 Q2413 I2450 C2513 E2514 K2519 R2520 L2521 | M2409-V2517 HydrophobicContact CB-CG1 3.64Å; M2409-V2517 HydrophobicContact CB-CG2 4.32Å; M2409-V2517 HydrophobicContact CE-CG1 4.43Å; M2409-V2517 HydrophobicContact CG-CG1 4.45Å; M2409-V2517 HydrophobicContact SD-CG1 4.16Å; Q2413-V2517 HydrophobicContact CB-CG2 3.8Å; Q2413-V2517 HydrophobicContact CG-CG2 4.17Å; I2450-V2517 HydrophobicContact CG2-CG2 4.42Å; C2513-V2517 HydrophobicContact CB-CB 4.21Å; C2513-V2517 HydrophobicContact CB-CG1 4.09Å; E2514-V2517 HydrophobicContact CB-CG2 4.44Å; E2514-V2517 WeakPolarHBondContact O-CA 3.35Å; E2514-V2517 WeakPolarHBondContact O-CB 3.24Å; E2514-V2517 PolarHBondContact O-N 3.28Å; V2517-K2519 VanDerWaalsContact C-N 3.33Å; V2517-K2519 PolarHBondContact O-N 3.04Å; V2517-R2520 PolarHBondContact O-N 2.95Å; V2517-L2521 HydrophobicContact CG1-CD1 4.02Å; V2517-L2521 HydrophobicContact CG1-CG 4.41Å; V2517-L2521 PolarHBondContact O-N 3.02Å |
| 2518 | L | 94 | Very high | 92.6 | Very high | 19.5 Ų | 19.5 | 41.8 Ų | 41.8 | 10% | 0.102 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.3 | -47.9 | 177.6 | -179.1 | 63 | 0 | 0 | 0 | 111.8 | L2509 A2510 C2513 E2514 R2520 L2521 L2522 | L2509-L2518 HydrophobicContact CB-CD1 4.06Å; A2510-L2518 HydrophobicContact CB-CD2 4.15Å; C2513-L2518 HydrophobicContact CB-CB 3.92Å; E2514-L2518 PolarHBondContact O-N 3.26Å; L2518-R2520 VanDerWaalsContact C-N 3.28Å; L2518-R2520 PolarHBondContact O-N 3.4Å; L2518-L2521 PolarHBondContact O-N 3.09Å; L2518-L2522 HydrophobicContact CD1-CD1 4.33Å; L2518-L2522 HydrophobicContact CD1-CG 4.3Å; L2518-L2522 HydrophobicContact CG-CD1 4.06Å; L2518-L2522 HydrophobicContact CG-CG 4.44Å; L2518-L2522 WeakPolarHBondContact O-CB 3.42Å; L2518-L2522 VanDerWaalsContact O-CG 3.28Å; L2518-L2522 WeakPolarHBondContact O-CG 3.45Å; L2518-L2522 PolarHBondContact O-N 3.36Å |
| 2519 | K | 92.8 | Very high | 92.7 | Very high | 97.5 Ų | 97.5 | 40.3 Ų | 40.3 | 42% | 0.424 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.8 | -25.8 | 179.3 | -75.9 | 172.5 | -177.1 | 171.2 | 0 | 113.4 | K2515 V2517 K2523 | K2515-K2519 WeakPolarHBondContact O-CB 3.31Å; K2515-K2519 WeakPolarHBondContact O-CD 3.4Å; K2515-K2519 VanDerWaalsContact O-CG 3.31Å; K2515-K2519 WeakPolarHBondContact O-CG 3.29Å; K2515-K2519 PolarHBondContact O-N 2.99Å; K2515-K2519 VanDerWaalsContact O-N 3.14Å; V2517-K2519 VanDerWaalsContact C-N 3.33Å; V2517-K2519 PolarHBondContact O-N 3.04Å; K2519-K2523 WeakPolarHBondContact O-CG 3.32Å; K2519-K2523 PolarHBondContact O-N 3.46Å |
| 2520 | R | 93.5 | Very high | 92.8 | Very high | 50 Ų | 50 | 40.3 Ų | 40.3 | 19% | 0.189 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -78.2 | -47.1 | 175.4 | -71.6 | 171.1 | -174.7 | -71.8 | -2.2 | 110.6 | Q2447 D2451 A2454 T2516 V2517 L2518 L2522 K2523 E2524 | Q2447-R2520 VanDerWaalsContact NE2-NE 3.12Å; D2451-R2520 VanDerWaalsContact OD1-CD 3.25Å; D2451-R2520 WeakPolarHBondContact OD1-CD 3.35Å; D2451-R2520 WeakPolarHBondContact OD1-CG 3.35Å; D2451-R2520 IonicContact OD1-CZ 3.55Å; D2451-R2520 IonicContact OD1-NE 3.16Å; D2451-R2520 IonicContact OD1-NH1 2.89Å; D2451-R2520 PolarHBondContact OD1-NH1 2.79Å; D2451-R2520 IonicContact OD2-CZ 3.14Å; D2451-R2520 IonicContact OD2-NH1 3.29Å; D2451-R2520 PolarHBondContact OD2-NH1 3.41Å; A2454-R2520 HydrophobicContact CB-CB 4.2Å; T2516-R2520 WeakPolarHBondContact O-CG 3.32Å; T2516-R2520 PolarHBondContact O-N 3.13Å; V2517-R2520 PolarHBondContact O-N 2.95Å; L2518-R2520 VanDerWaalsContact C-N 3.28Å; L2518-R2520 PolarHBondContact O-N 3.4Å; R2520-L2522 VanDerWaalsContact C-N 3.34Å; R2520-L2522 PolarHBondContact O-N 3.1Å; R2520-K2523 WeakPolarHBondContact O-CB 3.38Å; R2520-K2523 PolarHBondContact O-N 3.14Å; R2520-K2523 VanDerWaalsContact O-N 3.15Å; R2520-E2524 PolarHBondContact O-N 3.45Å; R2520-E2524 VanDerWaalsContact O-N 3.14Å |
| 2521 | L | 93.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.5 | -46.8 | 172.3 | -71.5 | 175.6 | 0 | 0 | 0 | 112.4 | M2409 A2454 Y2457 L2509 C2513 V2517 L2518 K2523 E2524 L2525 | M2409-L2521 HydrophobicContact CE-CD1 3.84Å; M2409-L2521 HydrophobicContact CE-CD2 4.09Å; M2409-L2521 HydrophobicContact CE-CG 4.41Å; M2409-L2521 HydrophobicContact SD-CD1 4.4Å; M2409-L2521 HydrophobicContact SD-CD2 4.01Å; M2409-L2521 HydrophobicContact SD-CG 4.41Å; A2454-L2521 HydrophobicContact CB-CD2 3.89Å; A2454-L2521 HydrophobicContact CB-CG 4.42Å; Y2457-L2521 HydrophobicContact CD1-CD2 3.68Å; Y2457-L2521 HydrophobicContact CG-CD2 4.37Å; L2509-L2521 HydrophobicContact CD2-CD1 4.27Å; C2513-L2521 VanDerWaalsContact SG-CD1 3.58Å; V2517-L2521 HydrophobicContact CG1-CD1 4.02Å; V2517-L2521 HydrophobicContact CG1-CG 4.41Å; V2517-L2521 PolarHBondContact O-N 3.02Å; L2518-L2521 PolarHBondContact O-N 3.09Å; L2521-K2523 VanDerWaalsContact C-N 3.28Å; L2521-K2523 PolarHBondContact O-N 2.92Å; L2521-E2524 PolarHBondContact O-N 2.96Å; L2521-L2525 VanDerWaalsContact O-CB 3.31Å; L2521-L2525 WeakPolarHBondContact O-CB 3.32Å; L2521-L2525 VanDerWaalsContact O-CG 3.25Å; L2521-L2525 WeakPolarHBondContact O-CG 3.42Å; L2521-L2525 PolarHBondContact O-N 2.88Å |
| 2522 | L | 93.7 | Very high | 92.8 | Very high | 9 Ų | 9 | 36.5 Ų | 36.5 | 5% | 0.047 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.5 | -34.4 | 177.7 | -73.4 | 174 | 0 | 0 | 0 | 113 | L2506 L2518 R2520 W2526 F2616 L2623 | L2506-L2522 HydrophobicContact CD1-CD2 4.09Å; L2506-L2522 HydrophobicContact CD2-CD2 3.68Å; L2506-L2522 HydrophobicContact CG-CD2 4.43Å; L2518-L2522 HydrophobicContact CD1-CD1 4.33Å; L2518-L2522 HydrophobicContact CD1-CG 4.3Å; L2518-L2522 HydrophobicContact CG-CD1 4.06Å; L2518-L2522 HydrophobicContact CG-CG 4.44Å; L2518-L2522 WeakPolarHBondContact O-CB 3.42Å; L2518-L2522 VanDerWaalsContact O-CG 3.28Å; L2518-L2522 WeakPolarHBondContact O-CG 3.45Å; L2518-L2522 PolarHBondContact O-N 3.36Å; R2520-L2522 VanDerWaalsContact C-N 3.34Å; R2520-L2522 PolarHBondContact O-N 3.1Å; L2522-W2526 WeakPolarHBondContact O-CB 3.31Å; L2522-W2526 PolarHBondContact O-N 3.34Å; L2522-F2616 HydrophobicContact CD2-CD1 4.21Å; L2522-F2616 HydrophobicContact CD2-CE1 4.37Å; L2522-L2623 HydrophobicContact CB-CD1 3.99Å; L2522-L2623 HydrophobicContact CB-CD2 3.89Å; L2522-L2623 HydrophobicContact CB-CG 3.78Å; L2522-L2623 HydrophobicContact CD1-CG 4.41Å |
| 2523 | K | 93.4 | Very high | 92.7 | Very high | 75 Ų | 75 | 35.8 Ų | 35.8 | 33% | 0.326 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -67.5 | -46.7 | 176.3 | -74.3 | 177.8 | -179.8 | 179.4 | 0 | 111.6 | K2519 R2520 L2521 W2526 K2527 L2623 Y2627 | K2519-K2523 WeakPolarHBondContact O-CG 3.32Å; K2519-K2523 PolarHBondContact O-N 3.46Å; R2520-K2523 WeakPolarHBondContact O-CB 3.38Å; R2520-K2523 PolarHBondContact O-N 3.14Å; R2520-K2523 VanDerWaalsContact O-N 3.15Å; L2521-K2523 VanDerWaalsContact C-N 3.28Å; L2521-K2523 PolarHBondContact O-N 2.92Å; K2523-W2526 PolarHBondContact O-N 3.38Å; K2523-K2527 WeakPolarHBondContact O-CB 3.37Å; K2523-K2527 WeakPolarHBondContact O-CG 3.46Å; K2523-K2527 PolarHBondContact O-N 3.37Å; K2523-L2623 HydrophobicContact CG-CD1 4.34Å; K2523-L2623 HydrophobicContact CG-CD2 3.71Å; K2523-Y2627 HydrophobicContact CD-CE2 4.28Å; K2523-Y2627 HydrophobicContact CG-CE1 3.86Å; K2523-Y2627 HydrophobicContact CG-CE2 4.46Å; K2523-Y2627 WeakPolarHBondContact CG-OH 3.42Å |
| 2524 | E | 93.3 | Very high | 92.5 | Very high | 39 Ų | 39 | 37 Ų | 37 | 18% | 0.182 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.4 | -42.5 | 179.7 | -62.7 | -51.5 | 116.5 | 0 | 0 | 111 | S2455 A2458 R2520 L2521 W2526 K2527 V2528 | S2455-E2524 PolarHBondContact OG-OE2 2.93Å; A2458-E2524 HydrophobicContact CB-CB 3.58Å; R2520-E2524 PolarHBondContact O-N 3.45Å; R2520-E2524 VanDerWaalsContact O-N 3.14Å; L2521-E2524 PolarHBondContact O-N 2.96Å; E2524-W2526 PolarHBondContact O-N 3.33Å; E2524-K2527 PolarHBondContact O-N 3.29Å; E2524-K2527 WeakPolarHBondContact OE1-CE 3.39Å; E2524-K2527 IonicContact OE1-NZ 3.97Å; E2524-K2527 PolarHBondContact OE1-NZ 3.33Å; E2524-K2527 WeakPolarHBondContact OE2-CD 3.27Å; E2524-K2527 IonicContact OE2-NZ 2.86Å; E2524-K2527 PolarHBondContact OE2-NZ 3.39Å; E2524-V2528 WeakPolarHBondContact O-CB 3.46Å; E2524-V2528 VanDerWaalsContact O-CG2 3.28Å; E2524-V2528 WeakPolarHBondContact O-CG2 3.4Å; E2524-V2528 PolarHBondContact O-N 2.9Å |
| 2525 | L | 93.1 | Very high | 92.1 | Very high | 1.5 Ų | 1.5 | 39.2 Ų | 39.2 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.7 | -43.5 | 173.4 | -70.4 | 173.3 | 0 | 0 | 0 | 112 | A2458 L2461 I2465 L2506 L2509 L2521 V2528 T2529 F2616 | A2458-L2525 HydrophobicContact CB-CD2 4.38Å; L2461-L2525 HydrophobicContact CB-CD2 4.08Å; L2461-L2525 HydrophobicContact CD1-CD1 4.48Å; L2461-L2525 HydrophobicContact CD1-CD2 3.84Å; I2465-L2525 HydrophobicContact CD1-CD2 3.71Å; L2506-L2525 HydrophobicContact CD2-CD1 3.91Å; L2509-L2525 HydrophobicContact CD1-CD1 4.01Å; L2521-L2525 VanDerWaalsContact O-CB 3.31Å; L2521-L2525 WeakPolarHBondContact O-CB 3.32Å; L2521-L2525 VanDerWaalsContact O-CG 3.25Å; L2521-L2525 WeakPolarHBondContact O-CG 3.42Å; L2521-L2525 PolarHBondContact O-N 2.88Å; L2525-V2528 WeakPolarHBondContact O-CB 3.32Å; L2525-V2528 PolarHBondContact O-N 3.02Å; L2525-T2529 WeakPolarHBondContact O-CB 3.5Å; L2525-T2529 PolarHBondContact O-N 2.9Å; L2525-T2529 PolarHBondContact O-OG1 3.15Å; L2525-F2616 HydrophobicContact CB-CE1 3.9Å; L2525-F2616 HydrophobicContact CB-CZ 4.21Å |
| 2526 | W | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.6 | -47.9 | 176.2 | 168.8 | -95 | 0 | 0 | 0 | 112.1 | L2522 K2523 E2524 V2528 T2529 M2530 I2612 K2613 F2616 L2623 L2628 S2631 L2634 | L2522-W2526 WeakPolarHBondContact O-CB 3.31Å; L2522-W2526 PolarHBondContact O-N 3.34Å; K2523-W2526 PolarHBondContact O-N 3.38Å; E2524-W2526 PolarHBondContact O-N 3.33Å; W2526-V2528 VanDerWaalsContact C-N 3.32Å; W2526-V2528 PolarHBondContact O-N 3.12Å; W2526-T2529 WeakPolarHBondContact O-CB 3.32Å; W2526-T2529 PolarHBondContact O-N 3.14Å; W2526-M2530 HydrophobicContact CD2-CG 4.03Å; W2526-M2530 HydrophobicContact CE3-CE 4.1Å; W2526-M2530 HydrophobicContact CE3-CG 4.45Å; W2526-M2530 HydrophobicContact CH2-CE 4.02Å; W2526-M2530 HydrophobicContact CH2-CG 4.3Å; W2526-M2530 HydrophobicContact CH2-SD 3.88Å; W2526-M2530 HydrophobicContact CZ2-CE 4.44Å; W2526-M2530 HydrophobicContact CZ2-CG 3.85Å; W2526-M2530 HydrophobicContact CZ2-SD 3.93Å; W2526-M2530 HydrophobicContact CZ3-CE 3.79Å; W2526-M2530 HydrophobicContact CZ3-SD 4.26Å; W2526-M2530 WeakPolarHBondContact O-CG 3.39Å; W2526-M2530 PolarHBondContact O-N 3.04Å; W2526-I2612 HydrophobicContact CZ3-CG2 4.18Å; W2526-K2613 HydrophobicContact CH2-CB 4.11Å; W2526-K2613 HydrophobicContact CH2-CG 4.28Å; W2526-K2613 HydrophobicContact CZ3-CB 4.34Å; W2526-F2616 HydrophobicContact CB-CD1 3.96Å; W2526-F2616 HydrophobicContact CB-CE1 3.92Å; W2526-F2616 HydrophobicContact CE3-CB 4.05Å; W2526-F2616 HydrophobicContact CE3-CD1 4.19Å; W2526-F2616 AromaticContact CE3-CD2 3.98Å; W2526-F2616 HydrophobicContact CE3-CD2 3.98Å; W2526-F2616 HydrophobicContact CE3-CE2 4.49Å; W2526-F2616 AromaticContact CE3-CG 3.8Å; W2526-F2616 HydrophobicContact CE3-CG 3.8Å; W2526-F2616 HydrophobicContact CZ3-CB 4.41Å; W2526-F2616 HydrophobicContact CZ3-CD2 4.42Å; W2526-F2616 HydrophobicContact CZ3-CG 4.45Å; W2526-L2623 HydrophobicContact CB-CD1 4.18Å; W2526-L2628 HydrophobicContact CD2-CD2 3.48Å; W2526-L2628 VanDerWaalsContact CD2-CD2 3.48Å; W2526-L2628 HydrophobicContact CE3-CD2 3.6Å; W2526-L2628 HydrophobicContact CG-CD2 4.02Å; W2526-L2628 HydrophobicContact CH2-CB 4.35Å; W2526-L2628 HydrophobicContact CH2-CD2 4Å; W2526-L2628 HydrophobicContact CZ2-CB 4.2Å; W2526-L2628 HydrophobicContact CZ2-CD2 3.88Å; W2526-L2628 HydrophobicContact CZ3-CD2 3.87Å; W2526-S2631 VanDerWaalsContact NE1-CB 3.26Å; W2526-S2631 PolarHBondContact NE1-OG 2.89Å; W2526-L2634 HydrophobicContact CH2-CD2 4.28Å; W2526-L2634 HydrophobicContact CZ2-CB 3.96Å; W2526-L2634 HydrophobicContact CZ2-CD2 4.04Å; W2526-L2634 HydrophobicContact CZ2-CG 4.4Å |
| 2527 | K | 93 | Very high | 91.3 | Very high | 84 Ų | 84 | 31.9 Ų | 31.9 | 37% | 0.365 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -57.5 | -48 | 176 | -124.9 | 176.3 | -178.4 | 177.5 | 0 | 111.2 | K2523 E2524 T2529 M2530 H2531 E2633 | K2523-K2527 WeakPolarHBondContact O-CB 3.37Å; K2523-K2527 WeakPolarHBondContact O-CG 3.46Å; K2523-K2527 PolarHBondContact O-N 3.37Å; E2524-K2527 PolarHBondContact O-N 3.29Å; E2524-K2527 WeakPolarHBondContact OE1-CE 3.39Å; E2524-K2527 IonicContact OE1-NZ 3.97Å; E2524-K2527 PolarHBondContact OE1-NZ 3.33Å; E2524-K2527 WeakPolarHBondContact OE2-CD 3.27Å; E2524-K2527 IonicContact OE2-NZ 2.86Å; E2524-K2527 PolarHBondContact OE2-NZ 3.39Å; K2527-T2529 VanDerWaalsContact C-N 3.32Å; K2527-T2529 PolarHBondContact O-N 3.11Å; K2527-M2530 PolarHBondContact O-N 3.16Å; K2527-H2531 VanDerWaalsContact O-CB 3.28Å; K2527-H2531 WeakPolarHBondContact O-CB 3.22Å; K2527-H2531 PolarHBondContact O-N 3.16Å; K2527-E2633 HydrophobicContact CG-CG 4.13Å |
| 2528 | V | 91.5 | Very high | 90.7 | Very high | 18 Ų | 18 | 32 Ų | 32 | 11% | 0.109 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.4 | -42.1 | 177.3 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | Q2462 I2465 E2524 L2525 W2526 N2532 | Q2462-V2528 HydrophobicContact CB-CG1 3.79Å; Q2462-V2528 HydrophobicContact CG-CG1 3.68Å; I2465-V2528 HydrophobicContact CD1-CG1 4.13Å; I2465-V2528 HydrophobicContact CG2-CG1 4.37Å; E2524-V2528 WeakPolarHBondContact O-CB 3.46Å; E2524-V2528 VanDerWaalsContact O-CG2 3.28Å; E2524-V2528 WeakPolarHBondContact O-CG2 3.4Å; E2524-V2528 PolarHBondContact O-N 2.9Å; L2525-V2528 WeakPolarHBondContact O-CB 3.32Å; L2525-V2528 PolarHBondContact O-N 3.02Å; W2526-V2528 VanDerWaalsContact C-N 3.32Å; W2526-V2528 PolarHBondContact O-N 3.12Å; V2528-N2532 WeakPolarHBondContact O-CB 3.25Å; V2528-N2532 PolarHBondContact O-N 2.78Å; V2528-N2532 VanDerWaalsContact O-N 3.09Å; V2528-N2532 PolarHBondContact O-ND2 2.82Å |
| 2529 | T | 92.7 | Very high | 90 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.2 | -54.5 | 177.6 | -45.7 | 0 | 0 | 0 | 0 | 111.4 | L2498 Y2502 L2525 W2526 K2527 H2531 N2532 L2533 I2612 | L2498-T2529 HydrophobicContact CD2-CG2 4.32Å; Y2502-T2529 HydrophobicContact CE2-CG2 4.2Å; Y2502-T2529 PolarHBondContact OH-OG1 2.81Å; L2525-T2529 WeakPolarHBondContact O-CB 3.5Å; L2525-T2529 PolarHBondContact O-N 2.9Å; L2525-T2529 PolarHBondContact O-OG1 3.15Å; W2526-T2529 WeakPolarHBondContact O-CB 3.32Å; W2526-T2529 PolarHBondContact O-N 3.14Å; K2527-T2529 VanDerWaalsContact C-N 3.32Å; K2527-T2529 PolarHBondContact O-N 3.11Å; T2529-H2531 PolarHBondContact O-N 3.2Å; T2529-N2532 PolarHBondContact O-N 2.87Å; T2529-L2533 HydrophobicContact CG2-CD1 3.98Å; T2529-L2533 HydrophobicContact CG2-CG 4.49Å; T2529-L2533 WeakPolarHBondContact O-CB 3.31Å; T2529-L2533 WeakPolarHBondContact O-CG 3.38Å; T2529-L2533 PolarHBondContact O-N 2.96Å; T2529-I2612 HydrophobicContact CG2-CG2 4.45Å |
| 2530 | M | 93.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.5 | -46.6 | -175 | -66.8 | -58.8 | 105.6 | 0 | 0 | 111.5 | W2526 K2527 N2532 L2533 E2534 L2609 I2612 E2633 L2634 L2637 | W2526-M2530 HydrophobicContact CD2-CG 4.03Å; W2526-M2530 HydrophobicContact CE3-CE 4.1Å; W2526-M2530 HydrophobicContact CE3-CG 4.45Å; W2526-M2530 HydrophobicContact CH2-CE 4.02Å; W2526-M2530 HydrophobicContact CH2-CG 4.3Å; W2526-M2530 HydrophobicContact CH2-SD 3.88Å; W2526-M2530 HydrophobicContact CZ2-CE 4.44Å; W2526-M2530 HydrophobicContact CZ2-CG 3.85Å; W2526-M2530 HydrophobicContact CZ2-SD 3.93Å; W2526-M2530 HydrophobicContact CZ3-CE 3.79Å; W2526-M2530 HydrophobicContact CZ3-SD 4.26Å; W2526-M2530 WeakPolarHBondContact O-CG 3.39Å; W2526-M2530 PolarHBondContact O-N 3.04Å; K2527-M2530 PolarHBondContact O-N 3.16Å; M2530-N2532 VanDerWaalsContact C-N 3.33Å; M2530-N2532 PolarHBondContact O-N 3.06Å; M2530-L2533 HydrophobicContact CE-CD1 3.83Å; M2530-L2533 PolarHBondContact O-N 3.06Å; M2530-E2534 PolarHBondContact O-N 3.17Å; M2530-L2609 HydrophobicContact CE-CD2 4.27Å; M2530-L2609 HydrophobicContact SD-CD2 4.1Å; M2530-I2612 HydrophobicContact CE-CG2 3.88Å; M2530-E2633 HydrophobicContact CB-CB 3.48Å; M2530-E2633 VanDerWaalsContact CB-CB 3.48Å; M2530-E2633 HydrophobicContact CB-CG 4.5Å; M2530-E2633 HydrophobicContact CG-CB 4.22Å; M2530-L2634 HydrophobicContact SD-CB 4.48Å; M2530-L2634 HydrophobicContact SD-CD1 3.93Å; M2530-L2637 HydrophobicContact SD-CD2 4.22Å |
| 2531 | H | 90.3 | Very high | 87.2 | Confident | 84.5 Ų | 84.5 | 35 Ų | 35 | 39% | 0.391 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.6 | -41.5 | 178.1 | 179.9 | 69.5 | 0 | 0 | 0 | 112.5 | K2527 T2529 K2535 | K2527-H2531 VanDerWaalsContact O-CB 3.28Å; K2527-H2531 WeakPolarHBondContact O-CB 3.22Å; K2527-H2531 PolarHBondContact O-N 3.16Å; T2529-H2531 PolarHBondContact O-N 3.2Å; H2531-K2535 VanDerWaalsContact O-CB 3.28Å; H2531-K2535 WeakPolarHBondContact O-CB 3.43Å; H2531-K2535 PolarHBondContact O-N 3.06Å |
| 2532 | N | 89.6 | Confident | 85.3 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -77.1 | -29.1 | 179.8 | -75.3 | -77.2 | 0 | 0 | 0 | 112.8 | Q2462 V2466 I2469 V2528 T2529 M2530 Q2536 | Q2462-N2532 PolarHBondContact NE2-ND2 2.82Å; V2466-N2532 HydrophobicContact CG2-CB 4.2Å; V2466-N2532 VanDerWaalsContact CG2-OD1 3.29Å; V2466-N2532 WeakPolarHBondContact CG2-OD1 3.43Å; I2469-N2532 HydrophobicContact CD1-CB 3.56Å; I2469-N2532 VanDerWaalsContact CD1-CB 3.5Å; V2528-N2532 WeakPolarHBondContact O-CB 3.25Å; V2528-N2532 PolarHBondContact O-N 2.78Å; V2528-N2532 VanDerWaalsContact O-N 3.09Å; V2528-N2532 PolarHBondContact O-ND2 2.82Å; T2529-N2532 PolarHBondContact O-N 2.87Å; M2530-N2532 VanDerWaalsContact C-N 3.33Å; M2530-N2532 PolarHBondContact O-N 3.06Å; N2532-Q2536 VanDerWaalsContact O-CB 3.23Å; N2532-Q2536 WeakPolarHBondContact O-CB 3.39Å; N2532-Q2536 WeakPolarHBondContact O-CG 3.27Å; N2532-Q2536 PolarHBondContact O-N 3.08Å; N2532-Q2536 PolarHBondContact OD1-NE2 3.42Å |
| 2533 | L | 90.2 | Very high | 83.2 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 169.3 | -76.7 | 170.6 | 0 | 0 | 0 | 111 | I2469 L2472 T2529 M2530 V2537 V2538 L2609 I2612 L2637 | I2469-L2533 HydrophobicContact CD1-CD2 4.41Å; I2469-L2533 HydrophobicContact CD1-CG 4.15Å; I2469-L2533 HydrophobicContact CG1-CD2 4.08Å; I2469-L2533 HydrophobicContact CG1-CG 4.36Å; I2469-L2533 HydrophobicContact CG2-CD2 4.1Å; L2472-L2533 HydrophobicContact CD1-CD2 4.23Å; L2472-L2533 HydrophobicContact CD2-CD2 4.4Å; T2529-L2533 HydrophobicContact CG2-CD1 3.98Å; T2529-L2533 HydrophobicContact CG2-CG 4.49Å; T2529-L2533 WeakPolarHBondContact O-CB 3.31Å; T2529-L2533 WeakPolarHBondContact O-CG 3.38Å; T2529-L2533 PolarHBondContact O-N 2.96Å; M2530-L2533 HydrophobicContact CE-CD1 3.83Å; M2530-L2533 PolarHBondContact O-N 3.06Å; L2533-V2537 HydrophobicContact CD2-CG2 3.99Å; L2533-V2537 WeakPolarHBondContact O-CA 3.34Å; L2533-V2537 VanDerWaalsContact O-CB 3.22Å; L2533-V2537 WeakPolarHBondContact O-CB 3.29Å; L2533-V2537 WeakPolarHBondContact O-CG2 3.37Å; L2533-V2537 PolarHBondContact O-N 2.9Å; L2533-V2538 PolarHBondContact O-N 3.04Å; L2533-L2609 HydrophobicContact CD1-CD2 4Å; L2533-I2612 HydrophobicContact CD1-CD1 3.75Å; L2533-L2637 HydrophobicContact CB-CD2 4.04Å |
| 2534 | E | 88.2 | Confident | 80.8 | Confident | 31.5 Ų | 31.5 | 42.2 Ų | 42.2 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -58.3 | -53.8 | 174.6 | -168.9 | 175.2 | -150.4 | 0 | 0 | 111.2 | M2530 Q2536 V2538 L2539 S2636 L2637 | M2530-E2534 PolarHBondContact O-N 3.17Å; E2534-Q2536 PolarHBondContact O-N 3.2Å; E2534-V2538 PolarHBondContact O-N 3.38Å; E2534-L2539 HydrophobicContact CG-CD1 4.47Å; E2534-L2539 PolarHBondContact O-N 3.15Å; E2534-S2636 WeakPolarHBondContact OE1-CB 3.38Å; E2534-S2636 PolarHBondContact OE1-OG 2.68Å; E2534-L2637 HydrophobicContact CB-CD1 3.78Å; E2534-L2637 HydrophobicContact CG-CD1 4.11Å |
| 2535 | K | 84.7 | Confident | 78.5 | Confident | 96 Ų | 96 | 44.9 Ų | 44.9 | 42% | 0.417 | 26% | 0.256 | S | S | . | . | I | π-helix | trans | -73.2 | -27 | -173.4 | -173.2 | 176 | -179.7 | 176.8 | 0 | 115.2 | H2531 L2539 P2540 T2541 | H2531-K2535 VanDerWaalsContact O-CB 3.28Å; H2531-K2535 WeakPolarHBondContact O-CB 3.43Å; H2531-K2535 PolarHBondContact O-N 3.06Å; K2535-L2539 CarbonylContact O-C 3.56Å; K2535-L2539 VanDerWaalsContact O-O 3.09Å; K2535-P2540 VanDerWaalsContact O-CA 3.26Å; K2535-P2540 WeakPolarHBondContact O-CA 3.22Å; K2535-T2541 HydrophobicContact CG-CG2 4.22Å |
| 2536 | Q | 83.1 | Confident | 76.3 | Confident | 45.5 Ų | 45.5 | 53.9 Ų | 53.9 | 21% | 0.213 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -110.4 | -18.7 | -174.4 | -56.1 | -118.9 | -8 | 0 | 0 | 114 | I2469 K2470 S2473 N2532 E2534 | I2469-Q2536 HydrophobicContact CG2-CB 3.97Å; I2469-Q2536 HydrophobicContact CG2-CG 4.3Å; K2470-Q2536 VanDerWaalsContact CG-OE1 3.28Å; S2473-Q2536 PolarHBondContact OG-O 3.44Å; N2532-Q2536 VanDerWaalsContact O-CB 3.23Å; N2532-Q2536 WeakPolarHBondContact O-CB 3.39Å; N2532-Q2536 WeakPolarHBondContact O-CG 3.27Å; N2532-Q2536 PolarHBondContact O-N 3.08Å; N2532-Q2536 PolarHBondContact OD1-NE2 3.42Å; E2534-Q2536 PolarHBondContact O-N 3.2Å |
| 2537 | V | 84.1 | Confident | 74 | Confident | 3.5 Ų | 3.5 | 55.9 Ų | 55.9 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | I | π-helix | trans | -115.8 | -48.8 | -176.4 | -165.7 | 0 | 0 | 0 | 0 | 111.5 | I2469 L2472 L2476 L2533 L2605 | I2469-V2537 HydrophobicContact CG2-CG2 3.69Å; L2472-V2537 HydrophobicContact CD2-CG1 4.32Å; L2472-V2537 HydrophobicContact CD2-CG2 4.21Å; L2476-V2537 HydrophobicContact CD2-CG1 3.63Å; L2533-V2537 HydrophobicContact CD2-CG2 3.99Å; L2533-V2537 WeakPolarHBondContact O-CA 3.34Å; L2533-V2537 VanDerWaalsContact O-CB 3.22Å; L2533-V2537 WeakPolarHBondContact O-CB 3.29Å; L2533-V2537 WeakPolarHBondContact O-CG2 3.37Å; L2533-V2537 PolarHBondContact O-N 2.9Å; V2537-L2605 HydrophobicContact CG1-CD1 4.21Å; V2537-L2605 HydrophobicContact CG1-CD2 4.09Å |
| 2538 | V | 82 | Confident | 71.7 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | I | π-helix | trans | -89.3 | -44.6 | -173 | -176.1 | 0 | 0 | 0 | 0 | 112.8 | L2533 E2534 P2540 L2597 L2605 L2637 A2640 L2641 Y2644 | L2533-V2538 PolarHBondContact O-N 3.04Å; E2534-V2538 PolarHBondContact O-N 3.38Å; V2538-P2540 VanDerWaalsContact C-CD 3.41Å; V2538-P2540 WeakPolarHBondContact O-CD 3.41Å; V2538-L2597 HydrophobicContact CG1-CD1 4.32Å; V2538-L2605 HydrophobicContact CG2-CD1 4.17Å; V2538-L2637 HydrophobicContact CB-CD1 3.96Å; V2538-L2637 HydrophobicContact CG1-CD1 4.47Å; V2538-L2637 HydrophobicContact CG2-CD1 3.41Å; V2538-L2637 VanDerWaalsContact CG2-CD1 3.41Å; V2538-A2640 HydrophobicContact CG1-CB 3.86Å; V2538-L2641 HydrophobicContact CG1-CD2 3.97Å; V2538-L2641 HydrophobicContact CG1-CG 4.26Å; V2538-L2641 HydrophobicContact CG2-CD2 3.83Å; V2538-L2641 HydrophobicContact CG2-CG 4.25Å; V2538-Y2644 HydrophobicContact CG1-CE2 4.27Å; V2538-Y2644 PolarHBondContact O-OH 2.86Å |
| 2539 | L | 79.2 | Confident | 69.5 | Low | 57 Ų | 57 | 59.5 Ų | 59.5 | 30% | 0.298 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -125.2 | 61.9 | 179.7 | -62.1 | 175.9 | 0 | 0 | 0 | 110.8 | E2534 K2535 T2541 A2640 Y2644 T2832 | E2534-L2539 HydrophobicContact CG-CD1 4.47Å; E2534-L2539 PolarHBondContact O-N 3.15Å; K2535-L2539 CarbonylContact O-C 3.56Å; K2535-L2539 VanDerWaalsContact O-O 3.09Å; L2539-T2541 PolarHBondContact O-N 3.39Å; L2539-A2640 HydrophobicContact CD1-CB 3.96Å; L2539-A2640 HydrophobicContact CG-CB 4.34Å; L2539-Y2644 HydrophobicContact CD2-CE2 4.35Å; L2539-T2832 HydrophobicContact CD2-CG2 3.66Å |
| 2540 | P | 69.7 | Low | 67.1 | Low | 67.5 Ų | 67.5 | 65.5 Ų | 65.5 | 44% | 0.438 | 36% | 0.355 | S | S | . | . | trans | -57.7 | 124.1 | 178.6 | 23.7 | -32.2 | 0 | 0 | 0 | 111 | K2535 V2538 V2542 | K2535-P2540 VanDerWaalsContact O-CA 3.26Å; K2535-P2540 WeakPolarHBondContact O-CA 3.22Å; V2538-P2540 VanDerWaalsContact C-CD 3.41Å; V2538-P2540 WeakPolarHBondContact O-CD 3.41Å; P2540-V2542 PolarHBondContact O-N 2.98Å; P2540-V2542 VanDerWaalsContact O-N 3.15Å | ||
| 2541 | T | 59 | Low | 64.4 | Low | 105 Ų | 105 | 70.9 Ų | 70.9 | 64% | 0.644 | 38% | 0.384 | S | S | * | . | trans | -63.7 | 114.6 | -178.4 | 53.5 | 0 | 0 | 0 | 0 | 110.9 | K2535 L2539 A2543 | K2535-T2541 HydrophobicContact CG-CG2 4.22Å; L2539-T2541 PolarHBondContact O-N 3.39Å; T2541-A2543 PolarHBondContact O-N 2.7Å | ||
| 2542 | V | 53.7 | Low | 62 | Low | 54 Ų | 54 | 71.6 Ų | 71.6 | 33% | 0.327 | 39% | 0.39 | S | S | . | . | trans | -69.3 | 121.9 | 172.1 | -174.8 | 0 | 0 | 0 | 0 | 108.3 | P2540 D2544 A2547 M2548 | P2540-V2542 PolarHBondContact O-N 2.98Å; P2540-V2542 VanDerWaalsContact O-N 3.15Å; V2542-D2544 PolarHBondContact O-N 2.81Å; V2542-D2544 VanDerWaalsContact O-N 3.11Å; V2542-A2547 HydrophobicContact CG1-CB 4.36Å; V2542-M2548 HydrophobicContact CG1-CG 4.27Å; V2542-M2548 HydrophobicContact CG1-SD 4.37Å; V2542-M2548 HydrophobicContact CG2-CE 4.01Å; V2542-M2548 HydrophobicContact CG2-SD 3.88Å | ||
| 2543 | A | 48 | Very low | 59.5 | Low | 110.5 Ų | 110.5 | 75.9 Ų | 75.9 | 91% | 0.913 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -65.1 | -15.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | T2541 | T2541-A2543 PolarHBondContact O-N 2.7Š|
| 2544 | D | 43.9 | Very low | 56.9 | Low | 72 Ų | 72 | 81.2 Ų | 81.2 | 39% | 0.385 | 45% | 0.448 | S | S | . | . | trans | -140.5 | 115.4 | 169.7 | -176.8 | 2 | 0 | 0 | 0 | 109.7 | V2542 R2546 A2547 | V2542-D2544 PolarHBondContact O-N 2.81Å; V2542-D2544 VanDerWaalsContact O-N 3.11Å; D2544-R2546 PolarHBondContact O-N 3.08Å; D2544-R2546 VanDerWaalsContact O-N 3.09Å; D2544-R2546 VanDerWaalsContact OD1-CB 3.31Å; D2544-R2546 WeakPolarHBondContact OD1-CB 3.3Å; D2544-R2546 PolarHBondContact OD1-N 3.45Å; D2544-A2547 HydrophobicContact CB-CB 4.16Å; D2544-A2547 WeakPolarHBondContact O-CB 3.24Å; D2544-A2547 PolarHBondContact O-N 3Å | ||
| 2545 | P | 45.1 | Very low | 54.4 | Low | 94.5 Ų | 94.5 | 84.1 Ų | 84.1 | 61% | 0.614 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -24.4 | 173.4 | -25.9 | 34.5 | 0 | 0 | 0 | 113.7 | F2549 | P2545-F2549 WeakPolarHBondContact O-CD2 3.42Å; P2545-F2549 WeakPolarHBondContact O-CE2 3.04Å |
| 2546 | R | 47 | Very low | 52 | Low | 192 Ų | 192 | 85.4 Ų | 85.4 | 73% | 0.725 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -27.6 | 177.9 | -61.7 | 178.7 | 164.7 | 128.2 | -3.2 | 113.1 | D2544 M2548 F2549 L2550 | D2544-R2546 PolarHBondContact O-N 3.08Å; D2544-R2546 VanDerWaalsContact O-N 3.09Å; D2544-R2546 VanDerWaalsContact OD1-CB 3.31Å; D2544-R2546 WeakPolarHBondContact OD1-CB 3.3Å; D2544-R2546 PolarHBondContact OD1-N 3.45Å; R2546-M2548 VanDerWaalsContact C-N 3.27Å; R2546-M2548 PolarHBondContact O-N 3.45Å; R2546-F2549 PolarHBondContact O-N 3.49Å; R2546-L2550 WeakPolarHBondContact O-CG 3.42Å |
| 2547 | A | 46.3 | Very low | 49.7 | Very low | 41.5 Ų | 41.5 | 89.2 Ų | 89.2 | 34% | 0.343 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -32 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | V2542 D2544 F2549 L2550 N2551 | V2542-A2547 HydrophobicContact CG1-CB 4.36Å; D2544-A2547 HydrophobicContact CB-CB 4.16Å; D2544-A2547 WeakPolarHBondContact O-CB 3.24Å; D2544-A2547 PolarHBondContact O-N 3Å; A2547-F2549 VanDerWaalsContact C-N 3.34Å; A2547-F2549 PolarHBondContact O-N 3.12Å; A2547-F2549 VanDerWaalsContact O-N 3.15Å; A2547-L2550 PolarHBondContact O-N 3.37Å; A2547-N2551 PolarHBondContact O-N 3.35Å; A2547-N2551 VanDerWaalsContact O-N 3.11Å |
| 2548 | M | 44 | Very low | 47.5 | Very low | 95.5 Ų | 95.5 | 92.6 Ų | 92.6 | 47% | 0.47 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -25.5 | 179.9 | -125.2 | 178.5 | -176.9 | 0 | 0 | 113.8 | V2542 R2546 R2835 | V2542-M2548 HydrophobicContact CG1-CG 4.27Å; V2542-M2548 HydrophobicContact CG1-SD 4.37Å; V2542-M2548 HydrophobicContact CG2-CE 4.01Å; V2542-M2548 HydrophobicContact CG2-SD 3.88Å; R2546-M2548 VanDerWaalsContact C-N 3.27Å; R2546-M2548 PolarHBondContact O-N 3.45Å; M2548-R2835 HydrophobicContact CE-CG 3.87Å; M2548-R2835 HydrophobicContact SD-CG 4.03Å |
| 2549 | F | 45.4 | Very low | 45.1 | Very low | 82.5 Ų | 82.5 | 101.1 Ų | 101.1 | 36% | 0.362 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.6 | -8 | -177.1 | -93.1 | -80.1 | 0 | 0 | 0 | 114 | P2545 R2546 A2547 N2551 L2552 L2570 W2831 V2850 | P2545-F2549 WeakPolarHBondContact O-CD2 3.42Å; P2545-F2549 WeakPolarHBondContact O-CE2 3.04Å; R2546-F2549 PolarHBondContact O-N 3.49Å; A2547-F2549 VanDerWaalsContact C-N 3.34Å; A2547-F2549 PolarHBondContact O-N 3.12Å; A2547-F2549 VanDerWaalsContact O-N 3.15Å; F2549-N2551 PolarHBondContact O-N 2.83Å; F2549-L2552 PolarHBondContact O-N 3.28Å; F2549-L2570 HydrophobicContact CD1-CD2 3.96Å; F2549-L2570 HydrophobicContact CE1-CD2 3.95Å; F2549-W2831 HydrophobicContact CE2-CZ3 4.45Å; F2549-V2850 HydrophobicContact CD1-CG1 3.75Å; F2549-V2850 HydrophobicContact CE1-CG1 3.4Å; F2549-V2850 VanDerWaalsContact CE1-CG1 3.4Å |
| 2550 | L | 41.9 | Very low | 42.9 | Very low | 124.5 Ų | 124.5 | 102.4 Ų | 102.4 | 65% | 0.652 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -84.4 | -28.1 | -175.9 | -75 | 165.8 | 0 | 0 | 0 | 113.2 | R2546 A2547 L2552 S2553 | R2546-L2550 WeakPolarHBondContact O-CG 3.42Å; A2547-L2550 PolarHBondContact O-N 3.37Å; L2550-L2552 VanDerWaalsContact C-N 3.32Å; L2550-L2552 PolarHBondContact O-N 3.16Å; L2550-S2553 PolarHBondContact O-OG 2.84Å |
| 2551 | N | 37.9 | Very low | 41.1 | Very low | 113.5 Ų | 113.5 | 108.9 Ų | 108.9 | 61% | 0.607 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -76.5 | -4.5 | 179.9 | -72.9 | -5.4 | 0 | 0 | 0 | 114.7 | A2547 F2549 S2553 E2594 | A2547-N2551 PolarHBondContact O-N 3.35Å; A2547-N2551 VanDerWaalsContact O-N 3.11Å; F2549-N2551 PolarHBondContact O-N 2.83Å; N2551-S2553 PolarHBondContact O-N 2.96Å; N2551-E2594 PolarHBondContact ND2-OE2 3.47Å |
| 2552 | L | 38.9 | Very low | 39.9 | Very low | 101 Ų | 101 | 111.5 Ų | 111.5 | 53% | 0.529 | 63% | 0.634 | S | S | . | * | G | 310 helix | trans | -84.5 | 21.6 | 178.5 | -88.1 | 151.3 | 0 | 0 | 0 | 114.1 | F2549 L2550 I2554 R2847 | F2549-L2552 PolarHBondContact O-N 3.28Å; L2550-L2552 VanDerWaalsContact C-N 3.32Å; L2550-L2552 PolarHBondContact O-N 3.16Å; L2552-I2554 PolarHBondContact O-N 3.37Å; L2552-R2847 HydrophobicContact CD2-CG 3.64Å |
| 2553 | S | 37.2 | Very low | 38.8 | Very low | 96 Ų | 96 | 114.3 Ų | 114.3 | 67% | 0.671 | 65% | 0.652 | S | S | * | * | trans | -89.7 | 57.7 | -179.7 | 61.1 | 0 | 0 | 0 | 0 | 113.3 | L2550 N2551 | L2550-S2553 PolarHBondContact O-OG 2.84Å; N2551-S2553 PolarHBondContact O-N 2.96Å | ||
| 2554 | I | 36.2 | Very low | 38.1 | Very low | 118.5 Ų | 118.5 | 112.3 Ų | 112.3 | 61% | 0.608 | 63% | 0.631 | S | S | * | * | trans | -87.2 | 122.4 | 179.9 | -56.9 | 174.3 | 0 | 0 | 0 | 110.2 | L2552 S2556 | L2552-I2554 PolarHBondContact O-N 3.37Å; I2554-S2556 PolarHBondContact O-N 2.94Å | ||
| 2555 | P | 34.9 | Very low | 37.7 | Very low | 93 Ų | 93 | 112.8 Ų | 112.8 | 60% | 0.604 | 64% | 0.637 | S | S | * | * | trans | -59.3 | 135.3 | 175.8 | -22.9 | 32.8 | 0 | 0 | 0 | 112.3 | T2557 A2558 | P2555-T2557 PolarHBondContact O-N 2.86Å; P2555-A2558 PolarHBondContact O-N 3.26Å | ||
| 2556 | S | 33.9 | Very low | 37.4 | Very low | 122 Ų | 122 | 112.5 Ų | 112.5 | 85% | 0.853 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 18.7 | -171.6 | 64.6 | 0 | 0 | 0 | 0 | 115.8 | I2554 | I2554-S2556 PolarHBondContact O-N 2.94Š|
| 2557 | T | 35.7 | Very low | 37 | Very low | 127 Ų | 127 | 111.1 Ų | 111.1 | 78% | 0.779 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | -4 | -175 | 49.2 | 0 | 0 | 0 | 0 | 114.7 | P2555 Q2559 | P2555-T2557 PolarHBondContact O-N 2.86Å; T2557-Q2559 PolarHBondContact O-N 3.22Å |
| 2558 | A | 36.9 | Very low | 36.6 | Very low | 74.5 Ų | 74.5 | 111.5 Ų | 111.5 | 62% | 0.616 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -105.8 | 35.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | P2555 A2560 | P2555-A2558 PolarHBondContact O-N 3.26Å; A2558-A2560 VanDerWaalsContact C-N 3.34Å; A2558-A2560 PolarHBondContact O-N 3.37Å |
| 2559 | Q | 31.7 | Very low | 36.4 | Very low | 181.5 Ų | 181.5 | 113 Ų | 113 | 85% | 0.848 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 36.8 | -180 | -76.8 | -172.8 | -20.7 | 0 | 0 | 114.1 | T2557 | T2557-Q2559 PolarHBondContact O-N 3.22Š|
| 2560 | A | 33.6 | Very low | 36.1 | Very low | 84.5 Ų | 84.5 | 115.1 Ų | 115.1 | 70% | 0.698 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.2 | 51.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | A2558 L2562 | A2558-A2560 VanDerWaalsContact C-N 3.34Å; A2558-A2560 PolarHBondContact O-N 3.37Å; A2560-L2562 VanDerWaalsContact C-N 3.3Å; A2560-L2562 PolarHBondContact O-N 3Å |
| 2561 | K | 31.7 | Very low | 35.9 | Very low | 202.5 Ų | 202.5 | 113.7 Ų | 113.7 | 88% | 0.88 | 66% | 0.659 | S | S | * | * | S | Bend | trans | 136.4 | -0.1 | 169.1 | -88.1 | -179.9 | 178.8 | 177.6 | 0 | 120.3 | T2563 | K2561-T2563 PolarHBondContact O-N 3.38Å; K2561-T2563 VanDerWaalsContact O-N 3.08Å |
| 2562 | L | 33 | Very low | 35.8 | Very low | 159.5 Ų | 159.5 | 113.7 Ų | 113.7 | 84% | 0.835 | 66% | 0.659 | S | S | * | * | trans | -103.4 | 62.9 | 177.7 | -81.5 | 161.9 | 0 | 0 | 0 | 112.4 | A2560 | A2560-L2562 VanDerWaalsContact C-N 3.3Å; A2560-L2562 PolarHBondContact O-N 3Å | ||
| 2563 | T | 30.6 | Very low | 35.8 | Very low | 113 Ų | 113 | 115.1 Ų | 115.1 | 69% | 0.693 | 67% | 0.672 | S | S | * | * | trans | -111.4 | 116.3 | 165.6 | 32.5 | 0 | 0 | 0 | 0 | 110.6 | K2561 | K2561-T2563 PolarHBondContact O-N 3.38Å; K2561-T2563 VanDerWaalsContact O-N 3.08Å | ||
| 2564 | S | 35.1 | Very low | 35.6 | Very low | 68.5 Ų | 68.5 | 115.7 Ų | 115.7 | 48% | 0.479 | 68% | 0.676 | S | S | . | * | S | Bend | trans | 132.1 | 47.1 | 161.5 | 63 | 0 | 0 | 0 | 0 | 116.3 | ||
| 2565 | V | 35.1 | Very low | 35.4 | Very low | 83.5 Ų | 83.5 | 114.8 Ų | 114.8 | 51% | 0.506 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -12.2 | 22.6 | 171.7 | -156.7 | 0 | 0 | 0 | 0 | 114.7 | Q2567 S2568 | V2565-Q2567 PolarHBondContact O-N 3.49Å; V2565-S2568 WeakPolarHBondContact O-CA 3.31Å; V2565-S2568 WeakPolarHBondContact O-CB 3.45Å; V2565-S2568 PolarHBondContact O-N 2.86Å |
| 2566 | S | 39.4 | Very low | 35.4 | Very low | 87.5 Ų | 87.5 | 118.9 Ų | 118.9 | 61% | 0.612 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -117.9 | 6.4 | 159.9 | -15.4 | 0 | 0 | 0 | 0 | 113.1 | S2568 | S2566-S2568 VanDerWaalsContact C-N 3.3Å; S2566-S2568 PolarHBondContact O-N 3.05Å |
| 2567 | Q | 37.8 | Very low | 35.5 | Very low | 162.5 Ų | 162.5 | 121 Ų | 121 | 76% | 0.759 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -70.5 | 32.1 | 161.7 | -75.2 | 179.3 | -29.5 | 0 | 0 | 110.5 | V2565 T2571 | V2565-Q2567 PolarHBondContact O-N 3.49Å; Q2567-T2571 PolarHBondContact O-OG1 2.96Å |
| 2568 | S | 38.6 | Very low | 35.3 | Very low | 50.5 Ų | 50.5 | 120.6 Ų | 120.6 | 35% | 0.353 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -123.9 | -16.8 | 178.3 | -157.5 | 0 | 0 | 0 | 0 | 115.3 | V2565 S2566 T2571 | V2565-S2568 WeakPolarHBondContact O-CA 3.31Å; V2565-S2568 WeakPolarHBondContact O-CB 3.45Å; V2565-S2568 PolarHBondContact O-N 2.86Å; S2566-S2568 VanDerWaalsContact C-N 3.3Å; S2566-S2568 PolarHBondContact O-N 3.05Å; S2568-T2571 PolarHBondContact O-OG1 2.72Å |
| 2569 | L | 38.4 | Very low | 34.9 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 66% | 0.66 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -102.1 | -8.1 | -174.8 | -79 | 167.5 | 0 | 0 | 0 | 114.9 | T2571 | L2569-T2571 VanDerWaalsContact C-N 3.31Å; L2569-T2571 PolarHBondContact O-N 3.49Å |
| 2570 | L | 38.6 | Very low | 34.9 | Very low | 128 Ų | 128 | 118.4 Ų | 118.4 | 67% | 0.67 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 6.8 | 177 | -67.4 | 173.5 | 0 | 0 | 0 | 114.3 | F2549 | F2549-L2570 HydrophobicContact CD1-CD2 3.96Å; F2549-L2570 HydrophobicContact CE1-CD2 3.95Å |
| 2571 | T | 37.7 | Very low | 34.9 | Very low | 95.5 Ų | 95.5 | 125.6 Ų | 125.6 | 59% | 0.586 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -14.9 | -173.8 | 26.1 | 0 | 0 | 0 | 0 | 115.7 | Q2567 S2568 L2569 S2574 | Q2567-T2571 PolarHBondContact O-OG1 2.96Å; S2568-T2571 PolarHBondContact O-OG1 2.72Å; L2569-T2571 VanDerWaalsContact C-N 3.31Å; L2569-T2571 PolarHBondContact O-N 3.49Å; T2571-S2574 WeakPolarHBondContact O-CB 3.32Å; T2571-S2574 PolarHBondContact O-N 2.68Å |
| 2572 | N | 36.6 | Very low | 35.1 | Very low | 113 Ų | 113 | 122.1 Ų | 122.1 | 60% | 0.604 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -105.3 | 1.4 | -170.2 | -81.6 | -3.3 | 0 | 0 | 0 | 116 | S2574 S2575 | N2572-S2574 PolarHBondContact O-N 3.41Å; N2572-S2575 PolarHBondContact O-OG 3.08Å |
| 2573 | V | 38.9 | Very low | 35.1 | Very low | 130.5 Ų | 130.5 | 122.2 Ų | 122.2 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -100.7 | 21 | 169.1 | -169.8 | 0 | 0 | 0 | 0 | 111.3 | S2575 | V2573-S2575 PolarHBondContact O-N 3.22Š|
| 2574 | S | 33.2 | Very low | 35.3 | Very low | 109 Ų | 109 | 124.8 Ų | 124.8 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -94.1 | 48.9 | 177.8 | -166.9 | 0 | 0 | 0 | 0 | 111.1 | T2571 N2572 | T2571-S2574 WeakPolarHBondContact O-CB 3.32Å; T2571-S2574 PolarHBondContact O-N 2.68Å; N2572-S2574 PolarHBondContact O-N 3.41Å |
| 2575 | S | 32.8 | Very low | 35.2 | Very low | 99.5 Ų | 99.5 | 127.6 Ų | 127.6 | 70% | 0.696 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -137 | 38 | 175.9 | 51.4 | 0 | 0 | 0 | 0 | 112.9 | N2572 V2573 | N2572-S2575 PolarHBondContact O-OG 3.08Å; V2573-S2575 PolarHBondContact O-N 3.22Å |
| 2576 | Q | 34.7 | Very low | 35.4 | Very low | 179 Ų | 179 | 129.3 Ų | 129.3 | 84% | 0.836 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -153.5 | 56.9 | 164.8 | -79.3 | 178.8 | 8.8 | 0 | 0 | 112.9 | ||
| 2577 | L | 35.2 | Very low | 35.2 | Very low | 165 Ų | 165 | 130 Ų | 130 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 164.7 | 136.5 | 174.3 | -64.5 | 169.4 | 0 | 0 | 0 | 115.5 | ||
| 2578 | P | 32.3 | Very low | 35 | Very low | 119 Ų | 119 | 131 Ų | 131 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | trans | -100.9 | 145.1 | -143.6 | 5.2 | 13.1 | 0 | 0 | 0 | 114.7 | S2580 | P2578-S2580 PolarHBondContact O-N 2.83Š| ||
| 2579 | A | 28.7 | Very low | 34.7 | Very low | 109 Ų | 109 | 135.7 Ų | 135.7 | 90% | 0.901 | 75% | 0.745 | S | S | * | * | trans | -19.3 | 102.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 2580 | S | 30.7 | Very low | 34.4 | Very low | 101.5 Ų | 101.5 | 134.1 Ų | 134.1 | 71% | 0.71 | 75% | 0.75 | S | S | * | * | trans | -142.9 | 115.5 | 152.3 | -173.8 | 0 | 0 | 0 | 0 | 111.8 | P2578 L2582 | P2578-S2580 PolarHBondContact O-N 2.83Å; S2580-L2582 VanDerWaalsContact C-N 3.32Å; S2580-L2582 PolarHBondContact O-N 3.13Å | ||
| 2581 | R | 33.2 | Very low | 34 | Very low | 235.5 Ų | 235.5 | 131.7 Ų | 131.7 | 89% | 0.889 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -5 | 12 | 170.6 | -66.1 | 178.8 | 171.9 | 168.9 | -3 | 118.8 | L2583 | R2581-L2583 VanDerWaalsContact C-N 3.27Å; R2581-L2583 PolarHBondContact O-N 3.32Å |
| 2582 | L | 35.3 | Very low | 33.9 | Very low | 129 Ų | 129 | 133.2 Ų | 133.2 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | trans | -89 | -11.8 | -173.4 | -138.7 | 93.9 | 0 | 0 | 0 | 115.1 | S2580 Q2584 I2586 | S2580-L2582 VanDerWaalsContact C-N 3.32Å; S2580-L2582 PolarHBondContact O-N 3.13Å; L2582-Q2584 PolarHBondContact O-N 3.15Å; L2582-I2586 HydrophobicContact CD2-CD1 3.81Å; L2582-I2586 HydrophobicContact CG-CD1 4.01Å; L2582-I2586 WeakPolarHBondContact O-CD1 3.32Å; L2582-I2586 VanDerWaalsContact O-CG1 3.23Å; L2582-I2586 WeakPolarHBondContact O-CG1 3.45Å | ||
| 2583 | L | 33.9 | Very low | 34 | Very low | 161 Ų | 161 | 132 Ų | 132 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 4.3 | -164.8 | -103.7 | 162.5 | 0 | 0 | 0 | 115.7 | R2581 | R2581-L2583 VanDerWaalsContact C-N 3.27Å; R2581-L2583 PolarHBondContact O-N 3.32Å |
| 2584 | Q | 34.3 | Very low | 34.5 | Very low | 168.5 Ų | 168.5 | 132.3 Ų | 132.3 | 79% | 0.787 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.2 | -17.6 | -176.6 | -152.7 | 163.9 | 15.8 | 0 | 0 | 114.8 | L2582 | L2582-Q2584 PolarHBondContact O-N 3.15Š|
| 2585 | D | 32.9 | Very low | 35.5 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 68% | 0.679 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -16.6 | 177.2 | -68.8 | -32.1 | 0 | 0 | 0 | 113.4 | S2587 | D2585-S2587 VanDerWaalsContact C-N 3.31Å; D2585-S2587 PolarHBondContact O-N 2.99Å |
| 2586 | I | 39.4 | Very low | 37 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 61% | 0.605 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -19.3 | -179.4 | -64.5 | 174.9 | 0 | 0 | 0 | 112.3 | L2582 K2588 | L2582-I2586 HydrophobicContact CD2-CD1 3.81Å; L2582-I2586 HydrophobicContact CG-CD1 4.01Å; L2582-I2586 WeakPolarHBondContact O-CD1 3.32Å; L2582-I2586 VanDerWaalsContact O-CG1 3.23Å; L2582-I2586 WeakPolarHBondContact O-CG1 3.45Å; I2586-K2588 PolarHBondContact O-N 3.48Å |
| 2587 | S | 36.6 | Very low | 39.1 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 17 | -176.4 | -60.1 | 0 | 0 | 0 | 0 | 115.3 | D2585 | D2585-S2587 VanDerWaalsContact C-N 3.31Å; D2585-S2587 PolarHBondContact O-N 2.99Å |
| 2588 | K | 33.6 | Very low | 41.1 | Very low | 183 Ų | 183 | 119 Ų | 119 | 80% | 0.796 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -123.1 | -19.7 | -179.7 | -85.6 | -176.7 | 175.3 | 176.6 | 0 | 116.6 | I2586 | I2586-K2588 PolarHBondContact O-N 3.48Š|
| 2589 | D | 31.9 | Very low | 43.4 | Very low | 149.5 Ų | 149.5 | 117.3 Ų | 117.3 | 80% | 0.799 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -107.7 | 22.4 | -176.2 | -77.7 | -31.6 | 0 | 0 | 0 | 114.5 | G2591 | D2589-G2591 PolarHBondContact O-N 3.19Š|
| 2590 | A | 31.9 | Very low | 46 | Very low | 91 Ų | 91 | 113.7 Ų | 113.7 | 75% | 0.752 | 62% | 0.615 | S | S | * | * | trans | -101.2 | 69.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I2592 | A2590-I2592 PolarHBondContact O-N 2.92Š| ||
| 2591 | G | 29.6 | Very low | 48.6 | Very low | 78 Ų | 78 | 109.3 Ų | 109.3 | 80% | 0.804 | 58% | 0.583 | S | S | * | * | trans | -102.6 | 11.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | D2589 S2593 | D2589-G2591 PolarHBondContact O-N 3.19Å; G2591-S2593 PolarHBondContact O-N 3.38Å | ||
| 2592 | I | 36 | Very low | 51.1 | Low | 127 Ų | 127 | 98.2 Ų | 98.2 | 65% | 0.651 | 54% | 0.541 | S | S | * | . | trans | -97.1 | 88.9 | 179.1 | -53 | 177.4 | 0 | 0 | 0 | 108.6 | A2590 E2594 R2595 | A2590-I2592 PolarHBondContact O-N 2.92Å; I2592-E2594 PolarHBondContact O-N 3.03Å; I2592-R2595 HydrophobicContact CG2-CG 4.1Å | ||
| 2593 | S | 38.1 | Very low | 53.5 | Low | 87 Ų | 87 | 97.3 Ų | 97.3 | 61% | 0.608 | 53% | 0.534 | S | S | * | . | trans | -53.9 | 122.4 | 162.7 | 56.1 | 0 | 0 | 0 | 0 | 109.4 | G2591 R2595 | G2591-S2593 PolarHBondContact O-N 3.38Å; S2593-R2595 VanDerWaalsContact C-N 3.32Å; S2593-R2595 PolarHBondContact O-N 3.26Å; S2593-R2595 VanDerWaalsContact O-N 3.09Å; S2593-R2595 PolarHBondContact OG-NE 3.1Å | ||
| 2594 | E | 49.2 | Very low | 56.2 | Low | 138 Ų | 138 | 89.6 Ų | 89.6 | 65% | 0.645 | 49% | 0.494 | S | S | * | . | trans | -51.9 | 100.8 | 177.3 | -65.5 | 177.1 | 148.8 | 0 | 0 | 110.8 | N2551 I2592 N2596 | N2551-E2594 PolarHBondContact ND2-OE2 3.47Å; I2592-E2594 PolarHBondContact O-N 3.03Å; E2594-N2596 PolarHBondContact O-N 3.29Å | ||
| 2595 | R | 55.4 | Low | 58.8 | Low | 134 Ų | 134 | 82.1 Ų | 82.1 | 51% | 0.506 | 46% | 0.459 | S | S | . | . | trans | -86 | 96.1 | -176.3 | -76.4 | -178.5 | -172.3 | -167.4 | 2.1 | 109.8 | H2477 I2592 S2593 | H2477-R2595 WeakPolarHBondContact NE2-CB 3.28Å; I2592-R2595 HydrophobicContact CG2-CG 4.1Å; S2593-R2595 VanDerWaalsContact C-N 3.32Å; S2593-R2595 PolarHBondContact O-N 3.26Å; S2593-R2595 VanDerWaalsContact O-N 3.09Å; S2593-R2595 PolarHBondContact OG-NE 3.1Å | ||
| 2596 | N | 65.1 | Low | 61.5 | Low | 94 Ų | 94 | 79.2 Ų | 79.2 | 50% | 0.503 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 141.9 | 171.5 | -65.8 | -24.5 | 0 | 0 | 0 | 110.8 | E2594 T2598 Q2839 | E2594-N2596 PolarHBondContact O-N 3.29Å; N2596-T2598 PolarHBondContact O-N 2.96Å; N2596-Q2839 VanDerWaalsContact OD1-CD 3.22Å; N2596-Q2839 PolarHBondContact OD1-NE2 3.29Å |
| 2597 | L | 77 | Confident | 63.9 | Low | 14.5 Ų | 14.5 | 76.6 Ų | 76.6 | 8% | 0.076 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 130.4 | 171.9 | -72.7 | 169.6 | 0 | 0 | 0 | 109.9 | L2476 V2538 H2601 L2605 Y2644 | L2476-L2597 HydrophobicContact CD2-CD2 3.83Å; V2538-L2597 HydrophobicContact CG1-CD1 4.32Å; L2597-H2601 HydrophobicContact CD2-CB 3.75Å; L2597-L2605 HydrophobicContact CD2-CD1 4.02Å; L2597-Y2644 HydrophobicContact CB-CD1 4.03Å; L2597-Y2644 HydrophobicContact CB-CE1 3.98Å; L2597-Y2644 HydrophobicContact CD1-CD2 4.43Å; L2597-Y2644 HydrophobicContact CD1-CE1 4.33Å; L2597-Y2644 HydrophobicContact CD1-CE2 4.02Å |
| 2598 | T | 78.8 | Confident | 66.5 | Low | 30 Ų | 30 | 71.8 Ų | 71.8 | 18% | 0.184 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -90.2 | 161 | 175 | 65.8 | 0 | 0 | 0 | 0 | 110.6 | P2481 N2596 R2600 H2601 C2602 | P2481-T2598 HydrophobicContact CB-CG2 3.73Å; N2596-T2598 PolarHBondContact O-N 2.96Å; T2598-R2600 PolarHBondContact O-N 3.12Å; T2598-R2600 VanDerWaalsContact O-N 3.13Å; T2598-H2601 PolarHBondContact N-ND1 3.19Å; T2598-H2601 WeakPolarHBondContact O-CB 3.37Å; T2598-H2601 PolarHBondContact O-N 3.5Å; T2598-H2601 PolarHBondContact OG1-CE1 3.45Å; T2598-H2601 VanDerWaalsContact OG1-CG 3.24Å; T2598-H2601 PolarHBondContact OG1-N 3.47Å; T2598-H2601 PolarHBondContact OG1-ND1 2.93Å; T2598-C2602 PolarHBondContact O-N 2.93Å; T2598-C2602 PolarHBondContact O-SG 2.96Å; T2598-C2602 VanDerWaalsContact O-SG 3.34Å |
| 2599 | P | 79.9 | Confident | 69.3 | Low | 84.5 Ų | 84.5 | 63.5 Ų | 63.5 | 55% | 0.549 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -53.9 | -32.8 | 172.4 | -28 | 36 | 0 | 0 | 0 | 113 | C2602 Q2603 | P2599-C2602 PolarHBondContact O-N 3.49Å; P2599-Q2603 WeakPolarHBondContact O-CG 3.47Å; P2599-Q2603 PolarHBondContact O-N 2.95Å; P2599-Q2603 VanDerWaalsContact O-N 3.14Å |
| 2600 | R | 83.1 | Confident | 72.2 | Confident | 32 Ų | 32 | 59.2 Ų | 59.2 | 12% | 0.121 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 173.9 | -174 | 111 | 175.3 | -92.4 | -5.3 | 112.1 | P2480 P2481 S2483 A2485 E2490 T2598 C2602 Q2603 I2604 | P2480-R2600 PolarHBondContact O-NH1 2.74Å; P2481-R2600 WeakPolarHBondContact O-CD 3.41Å; S2483-R2600 VanDerWaalsContact CB-CZ 3.43Å; S2483-R2600 VanDerWaalsContact O-CZ 3.28Å; S2483-R2600 PolarHBondContact O-NE 3.15Å; S2483-R2600 PolarHBondContact O-NH1 2.93Å; S2483-R2600 PolarHBondContact O-NH2 3.36Å; S2483-R2600 PolarHBondContact OG-NH2 2.86Å; A2485-R2600 PolarHBondContact O-NH2 3.25Å; E2490-R2600 VanDerWaalsContact CD-NH1 3.31Å; E2490-R2600 IonicContact OE1-CZ 3.9Å; E2490-R2600 IonicContact OE1-NH1 3.86Å; E2490-R2600 PolarHBondContact OE1-NH1 2.85Å; E2490-R2600 VanDerWaalsContact OE1-NH1 3.09Å; E2490-R2600 IonicContact OE1-NH2 3.18Å; E2490-R2600 PolarHBondContact OE1-NH2 3.36Å; E2490-R2600 IonicContact OE2-CZ 2.78Å; E2490-R2600 IonicContact OE2-NE 3.7Å; E2490-R2600 PolarHBondContact OE2-NE 3.38Å; E2490-R2600 IonicContact OE2-NH1 3.99Å; E2490-R2600 PolarHBondContact OE2-NH1 2.82Å; E2490-R2600 IonicContact OE2-NH2 3Å; E2490-R2600 PolarHBondContact OE2-NH2 2.84Å; T2598-R2600 PolarHBondContact O-N 3.12Å; T2598-R2600 VanDerWaalsContact O-N 3.13Å; R2600-C2602 VanDerWaalsContact C-N 3.28Å; R2600-C2602 PolarHBondContact O-N 3.13Å; R2600-Q2603 PolarHBondContact O-N 3.13Å; R2600-I2604 HydrophobicContact CG-CD1 4.48Å; R2600-I2604 VanDerWaalsContact O-CG1 3.3Å; R2600-I2604 WeakPolarHBondContact O-CG1 3.41Å; R2600-I2604 PolarHBondContact O-N 3.05Å |
| 2601 | H | 86.4 | Confident | 75 | Confident | 10 Ų | 10 | 56.5 Ų | 56.5 | 5% | 0.046 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61 | -36.3 | 173.9 | -60.7 | 138.2 | 0 | 0 | 0 | 112.5 | L2476 C2479 L2597 T2598 I2604 L2605 | L2476-H2601 HydrophobicContact CD1-CB 4.07Å; L2476-H2601 HydrophobicContact CG-CB 4.34Å; L2476-H2601 PolarHBondContact O-CD2 3.47Å; L2476-H2601 PolarHBondContact O-NE2 2.89Å; L2476-H2601 VanDerWaalsContact O-NE2 3.17Å; C2479-H2601 PolarHBondContact O-NE2 2.9Å; L2597-H2601 HydrophobicContact CD2-CB 3.75Å; T2598-H2601 PolarHBondContact N-ND1 3.19Å; T2598-H2601 WeakPolarHBondContact O-CB 3.37Å; T2598-H2601 PolarHBondContact O-N 3.5Å; T2598-H2601 PolarHBondContact OG1-CE1 3.45Å; T2598-H2601 VanDerWaalsContact OG1-CG 3.24Å; T2598-H2601 PolarHBondContact OG1-N 3.47Å; T2598-H2601 PolarHBondContact OG1-ND1 2.93Å; H2601-I2604 PolarHBondContact O-N 2.94Å; H2601-L2605 WeakPolarHBondContact O-CG 3.43Å; H2601-L2605 PolarHBondContact O-N 3.22Å |
| 2602 | C | 85.4 | Confident | 78 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.014 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 175.7 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | T2598 P2599 R2600 I2604 L2605 D2606 L2641 T2645 | T2598-C2602 PolarHBondContact O-N 2.93Å; T2598-C2602 PolarHBondContact O-SG 2.96Å; T2598-C2602 VanDerWaalsContact O-SG 3.34Å; P2599-C2602 PolarHBondContact O-N 3.49Å; R2600-C2602 VanDerWaalsContact C-N 3.28Å; R2600-C2602 PolarHBondContact O-N 3.13Å; C2602-I2604 PolarHBondContact O-N 3.1Å; C2602-L2605 PolarHBondContact O-N 3.22Å; C2602-D2606 PolarHBondContact O-N 3.13Å; C2602-L2641 HydrophobicContact CB-CD2 4.48Å; C2602-T2645 HydrophobicContact CB-CG2 4.43Å |
| 2603 | Q | 85.9 | Confident | 80.7 | Confident | 110 Ų | 110 | 48 Ų | 48 | 51% | 0.514 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 175.8 | -70.1 | 174.7 | -2.5 | 0 | 0 | 112.4 | V2487 P2599 R2600 L2605 D2606 I2607 | V2487-Q2603 HydrophobicContact CG1-CB 4.08Å; P2599-Q2603 WeakPolarHBondContact O-CG 3.47Å; P2599-Q2603 PolarHBondContact O-N 2.95Å; P2599-Q2603 VanDerWaalsContact O-N 3.14Å; R2600-Q2603 PolarHBondContact O-N 3.13Å; Q2603-L2605 VanDerWaalsContact C-N 3.33Å; Q2603-D2606 PolarHBondContact O-N 2.82Å; Q2603-I2607 PolarHBondContact O-N 2.91Å |
| 2604 | I | 89.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 175.5 | -61.5 | 166.1 | 0 | 0 | 0 | 110.1 | L2476 C2479 V2487 E2490 A2491 I2494 R2600 H2601 C2602 A2608 | L2476-I2604 HydrophobicContact CD1-CB 4.33Å; L2476-I2604 HydrophobicContact CD1-CG2 4.2Å; C2479-I2604 HydrophobicContact CB-CD1 4.17Å; V2487-I2604 HydrophobicContact CG1-CB 4.32Å; V2487-I2604 HydrophobicContact CG1-CG1 3.61Å; E2490-I2604 HydrophobicContact CB-CD1 4.19Å; E2490-I2604 HydrophobicContact CB-CG1 4.39Å; E2490-I2604 WeakPolarHBondContact OE2-CD1 3.41Å; A2491-I2604 HydrophobicContact CB-CG2 4.08Å; I2494-I2604 HydrophobicContact CD1-CG2 3.47Å; I2494-I2604 VanDerWaalsContact CD1-CG2 3.47Å; I2494-I2604 HydrophobicContact CG1-CG2 4.03Å; R2600-I2604 HydrophobicContact CG-CD1 4.48Å; R2600-I2604 VanDerWaalsContact O-CG1 3.3Å; R2600-I2604 WeakPolarHBondContact O-CG1 3.41Å; R2600-I2604 PolarHBondContact O-N 3.05Å; H2601-I2604 PolarHBondContact O-N 2.94Å; C2602-I2604 PolarHBondContact O-N 3.1Å; I2604-A2608 WeakPolarHBondContact O-CB 3.39Å; I2604-A2608 PolarHBondContact O-N 2.89Å |
| 2605 | L | 89.1 | Confident | 85.3 | Confident | 10 Ų | 10 | 44.3 Ų | 44.3 | 5% | 0.052 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.7 | -38.7 | 178.8 | -74.4 | 173.7 | 0 | 0 | 0 | 113 | L2476 I2494 V2537 V2538 L2597 H2601 C2602 Q2603 A2608 L2609 L2641 | L2476-L2605 HydrophobicContact CD1-CD2 4.46Å; L2476-L2605 HydrophobicContact CD1-CG 4.25Å; L2476-L2605 HydrophobicContact CD2-CD1 3.89Å; L2476-L2605 HydrophobicContact CD2-CD2 4.07Å; L2476-L2605 HydrophobicContact CD2-CG 4.06Å; I2494-L2605 HydrophobicContact CD1-CD2 4.38Å; V2537-L2605 HydrophobicContact CG1-CD1 4.21Å; V2537-L2605 HydrophobicContact CG1-CD2 4.09Å; V2538-L2605 HydrophobicContact CG2-CD1 4.17Å; L2597-L2605 HydrophobicContact CD2-CD1 4.02Å; H2601-L2605 WeakPolarHBondContact O-CG 3.43Å; H2601-L2605 PolarHBondContact O-N 3.22Å; C2602-L2605 PolarHBondContact O-N 3.22Å; Q2603-L2605 VanDerWaalsContact C-N 3.33Å; L2605-A2608 WeakPolarHBondContact O-CB 3.48Å; L2605-A2608 PolarHBondContact O-N 3.08Å; L2605-L2609 VanDerWaalsContact O-CG 3.27Å; L2605-L2609 WeakPolarHBondContact O-CG 3.33Å; L2605-L2609 PolarHBondContact O-N 2.97Å; L2605-L2641 HydrophobicContact CB-CD1 4.26Å; L2605-L2641 HydrophobicContact CB-CD2 4.29Å; L2605-L2641 HydrophobicContact CD1-CD2 3.81Å |
| 2606 | D | 88.7 | Confident | 87 | Confident | 66 Ų | 66 | 38 Ų | 38 | 35% | 0.353 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.2 | -45.7 | 177.1 | -83.9 | -35.4 | 0 | 0 | 0 | 112.1 | C2602 Q2603 A2608 L2609 D2610 | C2602-D2606 PolarHBondContact O-N 3.13Å; Q2603-D2606 PolarHBondContact O-N 2.82Å; D2606-A2608 VanDerWaalsContact C-N 3.32Å; D2606-A2608 PolarHBondContact O-N 2.72Å; D2606-L2609 PolarHBondContact O-N 3.48Å; D2606-D2610 PolarHBondContact O-N 3.46Å |
| 2607 | I | 91.3 | Very high | 88.4 | Confident | 64 Ų | 64 | 35.3 Ų | 35.3 | 33% | 0.328 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.8 | -42.5 | 174.9 | -62.7 | 176.3 | 0 | 0 | 0 | 110.1 | V2487 E2488 A2491 Q2603 L2609 D2610 A2611 | V2487-I2607 HydrophobicContact CB-CD1 4.11Å; V2487-I2607 HydrophobicContact CG1-CD1 3.75Å; E2488-I2607 HydrophobicContact CG-CD1 4.09Å; A2491-I2607 HydrophobicContact CB-CB 3.92Å; A2491-I2607 HydrophobicContact CB-CG2 3.65Å; Q2603-I2607 PolarHBondContact O-N 2.91Å; I2607-L2609 VanDerWaalsContact C-N 3.33Å; I2607-L2609 PolarHBondContact O-N 2.78Å; I2607-D2610 PolarHBondContact O-N 3.07Å; I2607-A2611 PolarHBondContact O-N 2.76Å |
| 2608 | A | 91.7 | Very high | 89 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 3% | 0.033 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.2 | -39.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I2494 L2495 I2604 L2605 D2606 A2611 I2612 | I2494-A2608 HydrophobicContact CD1-CB 4.22Å; L2495-A2608 HydrophobicContact CD1-CB 3.77Å; L2495-A2608 HydrophobicContact CD2-CB 3.93Å; L2495-A2608 HydrophobicContact CG-CB 3.74Å; I2604-A2608 WeakPolarHBondContact O-CB 3.39Å; I2604-A2608 PolarHBondContact O-N 2.89Å; L2605-A2608 WeakPolarHBondContact O-CB 3.48Å; L2605-A2608 PolarHBondContact O-N 3.08Å; D2606-A2608 VanDerWaalsContact C-N 3.32Å; D2606-A2608 PolarHBondContact O-N 2.72Å; A2608-A2611 PolarHBondContact O-N 2.63Å; A2608-I2612 WeakPolarHBondContact O-CG1 3.39Å; A2608-I2612 PolarHBondContact O-N 3.03Å |
| 2609 | L | 92.2 | Very high | 89.4 | Confident | 8 Ų | 8 | 39.3 Ų | 39.3 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.8 | -39.5 | 176.6 | -71.6 | 173.4 | 0 | 0 | 0 | 112.5 | M2530 L2533 L2605 D2606 I2607 A2611 I2612 K2613 L2634 L2637 L2641 | M2530-L2609 HydrophobicContact CE-CD2 4.27Å; M2530-L2609 HydrophobicContact SD-CD2 4.1Å; L2533-L2609 HydrophobicContact CD1-CD2 4Å; L2605-L2609 VanDerWaalsContact O-CG 3.27Å; L2605-L2609 WeakPolarHBondContact O-CG 3.33Å; L2605-L2609 PolarHBondContact O-N 2.97Å; D2606-L2609 PolarHBondContact O-N 3.48Å; I2607-L2609 VanDerWaalsContact C-N 3.33Å; I2607-L2609 PolarHBondContact O-N 2.78Å; L2609-A2611 VanDerWaalsContact C-N 3.35Å; L2609-I2612 PolarHBondContact O-N 3.43Å; L2609-K2613 VanDerWaalsContact O-CB 3.31Å; L2609-K2613 WeakPolarHBondContact O-CB 3.42Å; L2609-K2613 PolarHBondContact O-N 3.28Å; L2609-L2634 HydrophobicContact CD1-CD1 4.44Å; L2609-L2634 HydrophobicContact CD2-CD1 4.48Å; L2609-L2637 HydrophobicContact CD1-CD2 3.88Å; L2609-L2637 HydrophobicContact CD1-CG 4.02Å; L2609-L2637 HydrophobicContact CD2-CD2 3.47Å; L2609-L2637 VanDerWaalsContact CD2-CD2 3.47Å; L2609-L2637 HydrophobicContact CD2-CG 4.48Å; L2609-L2637 HydrophobicContact CG-CD2 4.32Å; L2609-L2641 HydrophobicContact CD1-CD1 3.78Å |
| 2610 | D | 91.6 | Very high | 89.7 | Confident | 59 Ų | 59 | 37.7 Ų | 37.7 | 32% | 0.316 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -68.7 | -33.3 | 175.8 | -82.2 | -32.9 | 0 | 0 | 0 | 112.3 | D2606 I2607 K2613 N2614 R2638 | D2606-D2610 PolarHBondContact O-N 3.46Å; I2607-D2610 PolarHBondContact O-N 3.07Å; D2610-K2613 PolarHBondContact O-N 3.04Å; D2610-K2613 VanDerWaalsContact OD1-CE 3.28Å; D2610-K2613 WeakPolarHBondContact OD1-CE 3.44Å; D2610-K2613 IonicContact OD1-NZ 2.64Å; D2610-K2613 PolarHBondContact OD1-NZ 3.43Å; D2610-N2614 VanDerWaalsContact O-CG 3.3Å; D2610-N2614 PolarHBondContact O-N 3.41Å; D2610-N2614 PolarHBondContact O-ND2 3.49Å; D2610-R2638 IonicContact OD1-NH2 3.56Å; D2610-R2638 PolarHBondContact OD1-NH2 3.31Å; D2610-R2638 IonicContact OD2-NH2 2.61Å; D2610-R2638 PolarHBondContact OD2-NH2 3.16Å |
| 2611 | A | 91.7 | Very high | 89.8 | Confident | 35 Ų | 35 | 40.8 Ų | 40.8 | 29% | 0.289 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.1 | -47.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L2495 I2607 A2608 L2609 K2613 N2614 Y2615 | L2495-A2611 HydrophobicContact CD1-CB 3.61Å; I2607-A2611 PolarHBondContact O-N 2.76Å; A2608-A2611 PolarHBondContact O-N 2.63Å; L2609-A2611 VanDerWaalsContact C-N 3.35Å; A2611-K2613 VanDerWaalsContact C-N 3.29Å; A2611-K2613 PolarHBondContact O-N 3.01Å; A2611-N2614 PolarHBondContact O-N 3.42Å; A2611-Y2615 PolarHBondContact O-N 2.95Å |
| 2612 | I | 92.5 | Very high | 89.9 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.6 | -43.8 | 174.4 | -64.3 | 168.7 | 0 | 0 | 0 | 110.3 | L2495 L2498 M2499 W2526 T2529 M2530 L2533 A2608 L2609 N2614 Y2615 F2616 | L2495-I2612 HydrophobicContact CD2-CD1 3.71Å; L2495-I2612 HydrophobicContact CD2-CG1 3.7Å; L2498-I2612 HydrophobicContact CD2-CD1 3.94Å; M2499-I2612 HydrophobicContact SD-CG1 4.46Å; W2526-I2612 HydrophobicContact CZ3-CG2 4.18Å; T2529-I2612 HydrophobicContact CG2-CG2 4.45Å; M2530-I2612 HydrophobicContact CE-CG2 3.88Å; L2533-I2612 HydrophobicContact CD1-CD1 3.75Å; A2608-I2612 WeakPolarHBondContact O-CG1 3.39Å; A2608-I2612 PolarHBondContact O-N 3.03Å; L2609-I2612 PolarHBondContact O-N 3.43Å; I2612-N2614 PolarHBondContact O-N 3.47Å; I2612-Y2615 WeakPolarHBondContact O-CB 3.34Å; I2612-Y2615 PolarHBondContact O-N 3Å; I2612-Y2615 VanDerWaalsContact O-N 3.12Å; I2612-F2616 HydrophobicContact CG2-CD2 3.85Å; I2612-F2616 HydrophobicContact CG2-CE2 3.94Å; I2612-F2616 WeakPolarHBondContact O-CD2 3.46Å; I2612-F2616 PolarHBondContact O-N 3.36Å |
| 2613 | K | 92.9 | Very high | 90.2 | Very high | 23 Ų | 23 | 40.9 Ų | 40.9 | 10% | 0.1 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.1 | -46.7 | 176.6 | -176 | 179.5 | 72.4 | -172.9 | 0 | 112.3 | W2526 L2609 D2610 A2611 Y2615 F2616 H2617 L2628 D2629 L2634 | W2526-K2613 HydrophobicContact CH2-CB 4.11Å; W2526-K2613 HydrophobicContact CH2-CG 4.28Å; W2526-K2613 HydrophobicContact CZ3-CB 4.34Å; L2609-K2613 VanDerWaalsContact O-CB 3.31Å; L2609-K2613 WeakPolarHBondContact O-CB 3.42Å; L2609-K2613 PolarHBondContact O-N 3.28Å; D2610-K2613 PolarHBondContact O-N 3.04Å; D2610-K2613 VanDerWaalsContact OD1-CE 3.28Å; D2610-K2613 WeakPolarHBondContact OD1-CE 3.44Å; D2610-K2613 IonicContact OD1-NZ 2.64Å; D2610-K2613 PolarHBondContact OD1-NZ 3.43Å; A2611-K2613 VanDerWaalsContact C-N 3.29Å; A2611-K2613 PolarHBondContact O-N 3.01Å; K2613-Y2615 PolarHBondContact O-N 3.33Å; K2613-F2616 PolarHBondContact O-N 3.16Å; K2613-H2617 WeakPolarHBondContact O-CB 3.21Å; K2613-H2617 PolarHBondContact O-N 2.76Å; K2613-L2628 HydrophobicContact CD-CB 4.31Å; K2613-L2628 HydrophobicContact CG-CB 3.91Å; K2613-L2628 HydrophobicContact CG-CD1 3.93Å; K2613-L2628 WeakPolarHBondContact O-CD1 3.41Å; K2613-D2629 WeakPolarHBondContact CD-OD1 3.2Å; K2613-D2629 IonicContact NZ-OD1 2.66Å; K2613-D2629 PolarHBondContact NZ-OD1 2.96Å; K2613-L2634 HydrophobicContact CD-CD2 4.46Å |
| 2614 | N | 91.6 | Very high | 90.6 | Very high | 82 Ų | 82 | 43.5 Ų | 43.5 | 44% | 0.439 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.4 | -33.5 | 177.1 | -73.9 | -32.9 | 0 | 0 | 0 | 111.8 | D2610 A2611 I2612 H2617 A2618 | D2610-N2614 VanDerWaalsContact O-CG 3.3Å; D2610-N2614 PolarHBondContact O-N 3.41Å; D2610-N2614 PolarHBondContact O-ND2 3.49Å; A2611-N2614 PolarHBondContact O-N 3.42Å; I2612-N2614 PolarHBondContact O-N 3.47Å; N2614-H2617 WeakPolarHBondContact O-CB 3.43Å; N2614-H2617 PolarHBondContact O-N 3.07Å; N2614-A2618 PolarHBondContact O-N 3.07Å; N2614-A2618 VanDerWaalsContact O-N 3.08Å |
| 2615 | Y | 90.6 | Very high | 90.6 | Very high | 67 Ų | 67 | 48.1 Ų | 48.1 | 26% | 0.263 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.5 | -50.6 | 176.8 | -151.6 | -101.9 | 0 | 0 | 0 | 112.8 | M2499 E2503 L2506 A2611 I2612 K2613 H2617 A2618 | M2499-Y2615 HydrophobicContact CE-CD1 4.26Å; M2499-Y2615 HydrophobicContact CE-CD2 3.16Å; M2499-Y2615 HydrophobicContact CE-CE2 3.7Å; M2499-Y2615 HydrophobicContact CE-CG 3.47Å; M2499-Y2615 VanDerWaalsContact CE-CG 3.47Å; M2499-Y2615 HydrophobicContact SD-CD2 4.48Å; M2499-Y2615 HydrophobicContact SD-CG 4.28Å; E2503-Y2615 WeakPolarHBondContact CA-OH 3.12Å; E2503-Y2615 WeakPolarHBondContact CB-OH 3.27Å; E2503-Y2615 WeakPolarHBondContact CG-OH 2.94Å; E2503-Y2615 PolarHBondContact N-OH 2.85Å; L2506-Y2615 HydrophobicContact CD1-CD1 3.92Å; L2506-Y2615 HydrophobicContact CD1-CE1 3.93Å; A2611-Y2615 PolarHBondContact O-N 2.95Å; I2612-Y2615 WeakPolarHBondContact O-CB 3.34Å; I2612-Y2615 PolarHBondContact O-N 3Å; I2612-Y2615 VanDerWaalsContact O-N 3.12Å; K2613-Y2615 PolarHBondContact O-N 3.33Å; Y2615-H2617 PolarHBondContact O-N 3.35Å; Y2615-A2618 PolarHBondContact O-N 2.98Å |
| 2616 | F | 92.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.009 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.7 | -22.1 | 175.5 | -86.6 | -98.9 | 0 | 0 | 0 | 113.2 | Y2502 L2522 L2525 W2526 I2612 K2613 L2623 L2628 | Y2502-F2616 HydrophobicContact CD1-CZ 4.37Å; Y2502-F2616 HydrophobicContact CD2-CE2 4.28Å; Y2502-F2616 HydrophobicContact CE1-CE2 4.28Å; Y2502-F2616 AromaticContact CE1-CZ 3.88Å; Y2502-F2616 HydrophobicContact CE1-CZ 3.88Å; Y2502-F2616 AromaticContact CE2-CE2 3.95Å; Y2502-F2616 HydrophobicContact CE2-CE2 3.95Å; Y2502-F2616 HydrophobicContact CE2-CZ 4.27Å; Y2502-F2616 AromaticContact CZ-CZ 3.84Å; L2522-F2616 HydrophobicContact CD2-CD1 4.21Å; L2522-F2616 HydrophobicContact CD2-CE1 4.37Å; L2525-F2616 HydrophobicContact CB-CE1 3.9Å; L2525-F2616 HydrophobicContact CB-CZ 4.21Å; W2526-F2616 HydrophobicContact CB-CD1 3.96Å; W2526-F2616 HydrophobicContact CB-CE1 3.92Å; W2526-F2616 HydrophobicContact CE3-CB 4.05Å; W2526-F2616 HydrophobicContact CE3-CD1 4.19Å; W2526-F2616 AromaticContact CE3-CD2 3.98Å; W2526-F2616 HydrophobicContact CE3-CD2 3.98Å; W2526-F2616 HydrophobicContact CE3-CE2 4.49Å; W2526-F2616 AromaticContact CE3-CG 3.8Å; W2526-F2616 HydrophobicContact CE3-CG 3.8Å; W2526-F2616 HydrophobicContact CZ3-CB 4.41Å; W2526-F2616 HydrophobicContact CZ3-CD2 4.42Å; W2526-F2616 HydrophobicContact CZ3-CG 4.45Å; I2612-F2616 HydrophobicContact CG2-CD2 3.85Å; I2612-F2616 HydrophobicContact CG2-CE2 3.94Å; I2612-F2616 WeakPolarHBondContact O-CD2 3.46Å; I2612-F2616 PolarHBondContact O-N 3.36Å; K2613-F2616 PolarHBondContact O-N 3.16Å; F2616-L2623 HydrophobicContact CD1-CD1 4.37Å; F2616-L2623 PolarHBondContact O-N 3.46Å; F2616-L2628 HydrophobicContact CB-CD1 4.33Å; F2616-L2628 HydrophobicContact CB-CD2 4.28Å |
| 2617 | H | 93.2 | Very high | 90.9 | Very high | 36 Ų | 36 | 51.8 Ų | 51.8 | 17% | 0.167 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -75.3 | -34.5 | 172 | 180 | 50.8 | 0 | 0 | 0 | 112.9 | K2613 N2614 Y2615 G2619 G2620 G2622 L2623 K2625 L2628 | K2613-H2617 WeakPolarHBondContact O-CB 3.21Å; K2613-H2617 PolarHBondContact O-N 2.76Å; N2614-H2617 WeakPolarHBondContact O-CB 3.43Å; N2614-H2617 PolarHBondContact O-N 3.07Å; Y2615-H2617 PolarHBondContact O-N 3.35Å; H2617-G2619 VanDerWaalsContact C-N 3.27Å; H2617-G2619 PolarHBondContact O-N 3.36Å; H2617-G2620 PolarHBondContact CE1-N 2.97Å; H2617-G2620 PolarHBondContact O-N 2.92Å; H2617-G2622 PolarHBondContact O-N 2.96Å; H2617-G2622 VanDerWaalsContact O-N 3.12Å; H2617-L2623 WeakPolarHBondContact CA-O 3.49Å; H2617-L2623 PolarHBondContact ND1-O 3.34Å; H2617-K2625 HydrophobicContact CB-CG 4.34Å; H2617-K2625 WeakPolarHBondContact CD2-CE 3.24Å; H2617-K2625 WeakPolarHBondContact NE2-CE 3.29Å; H2617-L2628 HydrophobicContact CB-CD1 4.02Å |
| 2618 | A | 89.9 | Confident | 91 | Very high | 52 Ų | 52 | 48.7 Ų | 48.7 | 43% | 0.43 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | 46.8 | 45 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N2614 Y2615 G2620 S2621 | N2614-A2618 PolarHBondContact O-N 3.07Å; N2614-A2618 VanDerWaalsContact O-N 3.08Å; Y2615-A2618 PolarHBondContact O-N 2.98Å; A2618-G2620 PolarHBondContact O-N 2.88Å; A2618-S2621 WeakPolarHBondContact O-CB 3.41Å; A2618-S2621 PolarHBondContact O-N 3.2Å |
| 2619 | G | 87.1 | Confident | 90.9 | Very high | 76 Ų | 76 | 52 Ų | 52 | 78% | 0.784 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | 62.3 | 15.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | H2617 | H2617-G2619 VanDerWaalsContact C-N 3.27Å; H2617-G2619 PolarHBondContact O-N 3.36Å |
| 2620 | G | 86.1 | Confident | 90.9 | Very high | 52 Ų | 52 | 59.1 Ų | 59.1 | 54% | 0.536 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | 110.4 | -12.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | H2617 A2618 G2622 | H2617-G2620 PolarHBondContact CE1-N 2.97Å; H2617-G2620 PolarHBondContact O-N 2.92Å; A2618-G2620 PolarHBondContact O-N 2.88Å; G2620-G2622 VanDerWaalsContact C-N 3.33Å |
| 2621 | S | 85 | Confident | 90.8 | Very high | 96 Ų | 96 | 56.4 Ų | 56.4 | 67% | 0.671 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -20.1 | 176.1 | -61.1 | 0 | 0 | 0 | 0 | 113.2 | A2618 | A2618-S2621 WeakPolarHBondContact O-CB 3.41Å; A2618-S2621 PolarHBondContact O-N 3.2Å |
| 2622 | G | 88.6 | Confident | 90.7 | Very high | 7 Ų | 7 | 58.8 Ų | 58.8 | 7% | 0.072 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -102.3 | -131.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | H2617 G2620 | H2617-G2622 PolarHBondContact O-N 2.96Å; H2617-G2622 VanDerWaalsContact O-N 3.12Å; G2620-G2622 VanDerWaalsContact C-N 3.33Å |
| 2623 | L | 92.6 | Very high | 90.5 | Very high | 7 Ų | 7 | 60.6 Ų | 60.6 | 4% | 0.037 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -80 | 148.9 | 177.9 | -61.8 | 177.9 | 0 | 0 | 0 | 111.6 | L2522 K2523 W2526 F2616 H2617 Y2627 L2628 | L2522-L2623 HydrophobicContact CB-CD1 3.99Å; L2522-L2623 HydrophobicContact CB-CD2 3.89Å; L2522-L2623 HydrophobicContact CB-CG 3.78Å; L2522-L2623 HydrophobicContact CD1-CG 4.41Å; K2523-L2623 HydrophobicContact CG-CD1 4.34Å; K2523-L2623 HydrophobicContact CG-CD2 3.71Å; W2526-L2623 HydrophobicContact CB-CD1 4.18Å; F2616-L2623 HydrophobicContact CD1-CD1 4.37Å; F2616-L2623 PolarHBondContact O-N 3.46Å; H2617-L2623 WeakPolarHBondContact CA-O 3.49Å; H2617-L2623 PolarHBondContact ND1-O 3.34Å; L2623-Y2627 HydrophobicContact CB-CD1 4.4Å; L2623-Y2627 HydrophobicContact CD1-CD1 4.13Å; L2623-Y2627 HydrophobicContact CD1-CE1 4.01Å; L2623-L2628 HydrophobicContact CB-CD1 4.23Å; L2623-L2628 HydrophobicContact CB-CD2 4Å; L2623-L2628 HydrophobicContact CB-CG 4.07Å; L2623-L2628 HydrophobicContact CD1-CD2 3.74Å |
| 2624 | K | 92.9 | Very high | 90.4 | Very high | 166 Ų | 166 | 59.7 Ų | 59.7 | 72% | 0.722 | 35% | 0.346 | S | S | * | . | trans | -68.4 | 136.2 | 175.7 | -66.4 | -176.1 | 178 | -178 | 0 | 109.8 | A2626 Y2627 L2628 | K2624-A2626 PolarHBondContact O-N 3.25Å; K2624-Y2627 WeakPolarHBondContact O-CA 3.29Å; K2624-Y2627 WeakPolarHBondContact O-CB 3.24Å; K2624-Y2627 PolarHBondContact O-N 3.03Å; K2624-L2628 PolarHBondContact O-N 3.05Å | ||
| 2625 | K | 91.1 | Very high | 90.3 | Very high | 96 Ų | 96 | 61 Ų | 61 | 42% | 0.417 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -51.6 | -42.6 | 175 | -69.1 | -168.2 | 179.4 | -174 | 0 | 112.6 | H2617 Y2627 L2628 D2629 | H2617-K2625 HydrophobicContact CB-CG 4.34Å; H2617-K2625 WeakPolarHBondContact CD2-CE 3.24Å; H2617-K2625 WeakPolarHBondContact NE2-CE 3.29Å; K2625-Y2627 PolarHBondContact O-N 3.45Å; K2625-L2628 PolarHBondContact O-N 3.06Å; K2625-D2629 PolarHBondContact O-N 3.2Å |
| 2626 | A | 91.8 | Very high | 90.1 | Very high | 64 Ų | 64 | 60.4 Ų | 60.4 | 53% | 0.529 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.3 | -29.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | K2624 K2630 | K2624-A2626 PolarHBondContact O-N 3.25Å; A2626-K2630 WeakPolarHBondContact O-CB 3.48Å; A2626-K2630 WeakPolarHBondContact O-CG 3.37Å |
| 2627 | Y | 92.2 | Very high | 89.8 | Confident | 89 Ų | 89 | 60.4 Ų | 60.4 | 35% | 0.349 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -74.6 | -44.8 | 172.8 | 172.5 | -92.4 | 0 | 0 | 0 | 110.6 | K2523 L2623 K2624 K2625 K2630 S2631 | K2523-Y2627 HydrophobicContact CD-CE2 4.28Å; K2523-Y2627 HydrophobicContact CG-CE1 3.86Å; K2523-Y2627 HydrophobicContact CG-CE2 4.46Å; K2523-Y2627 WeakPolarHBondContact CG-OH 3.42Å; L2623-Y2627 HydrophobicContact CB-CD1 4.4Å; L2623-Y2627 HydrophobicContact CD1-CD1 4.13Å; L2623-Y2627 HydrophobicContact CD1-CE1 4.01Å; K2624-Y2627 WeakPolarHBondContact O-CA 3.29Å; K2624-Y2627 WeakPolarHBondContact O-CB 3.24Å; K2624-Y2627 PolarHBondContact O-N 3.03Å; K2625-Y2627 PolarHBondContact O-N 3.45Å; Y2627-K2630 PolarHBondContact O-N 2.91Å; Y2627-S2631 PolarHBondContact O-N 3.45Å; Y2627-S2631 VanDerWaalsContact O-N 3.11Å |
| 2628 | L | 92.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.1 | -45.2 | -178.9 | -61.8 | 169.7 | 0 | 0 | 0 | 112.4 | W2526 K2613 F2616 H2617 L2623 K2624 K2625 K2630 S2631 L2634 | W2526-L2628 HydrophobicContact CD2-CD2 3.48Å; W2526-L2628 VanDerWaalsContact CD2-CD2 3.48Å; W2526-L2628 HydrophobicContact CE3-CD2 3.6Å; W2526-L2628 HydrophobicContact CG-CD2 4.02Å; W2526-L2628 HydrophobicContact CH2-CB 4.35Å; W2526-L2628 HydrophobicContact CH2-CD2 4Å; W2526-L2628 HydrophobicContact CZ2-CB 4.2Å; W2526-L2628 HydrophobicContact CZ2-CD2 3.88Å; W2526-L2628 HydrophobicContact CZ3-CD2 3.87Å; K2613-L2628 HydrophobicContact CD-CB 4.31Å; K2613-L2628 HydrophobicContact CG-CB 3.91Å; K2613-L2628 HydrophobicContact CG-CD1 3.93Å; K2613-L2628 WeakPolarHBondContact O-CD1 3.41Å; F2616-L2628 HydrophobicContact CB-CD1 4.33Å; F2616-L2628 HydrophobicContact CB-CD2 4.28Å; H2617-L2628 HydrophobicContact CB-CD1 4.02Å; L2623-L2628 HydrophobicContact CB-CD1 4.23Å; L2623-L2628 HydrophobicContact CB-CD2 4Å; L2623-L2628 HydrophobicContact CB-CG 4.07Å; L2623-L2628 HydrophobicContact CD1-CD2 3.74Å; K2624-L2628 PolarHBondContact O-N 3.05Å; K2625-L2628 PolarHBondContact O-N 3.06Å; L2628-K2630 PolarHBondContact O-N 3.31Å; L2628-S2631 VanDerWaalsContact O-CB 3.3Å; L2628-S2631 WeakPolarHBondContact O-CB 3.48Å; L2628-S2631 PolarHBondContact O-N 2.98Å; L2628-L2634 WeakPolarHBondContact O-CD2 3.3Å |
| 2629 | D | 90 | Very high | 89.4 | Confident | 72 Ų | 72 | 65.6 Ų | 65.6 | 39% | 0.385 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.9 | -26.6 | -179.9 | -67.7 | -45.2 | 0 | 0 | 0 | 112.8 | K2613 K2625 | K2613-D2629 WeakPolarHBondContact CD-OD1 3.2Å; K2613-D2629 IonicContact NZ-OD1 2.66Å; K2613-D2629 PolarHBondContact NZ-OD1 2.96Å; K2625-D2629 PolarHBondContact O-N 3.2Å |
| 2630 | K | 91.5 | Very high | 89.1 | Confident | 159 Ų | 159 | 62.1 Ų | 62.1 | 69% | 0.691 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 4.4 | 177.9 | -65.4 | -177 | -179.9 | -176 | 0 | 113.3 | A2626 Y2627 L2628 | A2626-K2630 WeakPolarHBondContact O-CB 3.48Å; A2626-K2630 WeakPolarHBondContact O-CG 3.37Å; Y2627-K2630 PolarHBondContact O-N 2.91Å; L2628-K2630 PolarHBondContact O-N 3.31Å |
| 2631 | S | 91.2 | Very high | 89 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.014 | 30% | 0.302 | C | S | . | . | trans | -62.2 | 127.8 | 178.9 | 155 | 0 | 0 | 0 | 0 | 109.7 | W2526 Y2627 L2628 E2633 L2634 Q2635 | W2526-S2631 VanDerWaalsContact NE1-CB 3.26Å; W2526-S2631 PolarHBondContact NE1-OG 2.89Å; Y2627-S2631 PolarHBondContact O-N 3.45Å; Y2627-S2631 VanDerWaalsContact O-N 3.11Å; L2628-S2631 VanDerWaalsContact O-CB 3.3Å; L2628-S2631 WeakPolarHBondContact O-CB 3.48Å; L2628-S2631 PolarHBondContact O-N 2.98Å; S2631-E2633 PolarHBondContact O-N 3.34Å; S2631-E2633 PolarHBondContact OG-N 2.96Å; S2631-E2633 PolarHBondContact OG-OE2 2.88Å; S2631-L2634 PolarHBondContact O-N 3.29Å; S2631-L2634 PolarHBondContact OG-N 3.16Å; S2631-Q2635 WeakPolarHBondContact O-CG 3.49Å; S2631-Q2635 PolarHBondContact O-N 3.47Å; S2631-Q2635 VanDerWaalsContact O-N 3.08Å | ||
| 2632 | P | 89.2 | Confident | 89 | Confident | 85 Ų | 85 | 57.3 Ų | 57.3 | 55% | 0.552 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -61.4 | -33.9 | 178 | 24 | -32.1 | 0 | 0 | 0 | 111.4 | Q2635 S2636 | P2632-Q2635 PolarHBondContact O-N 3.47Å; P2632-S2636 WeakPolarHBondContact O-CB 3.45Å; P2632-S2636 PolarHBondContact O-N 3.03Å |
| 2633 | E | 87.7 | Confident | 88.7 | Confident | 40 Ų | 40 | 57.1 Ų | 57.1 | 19% | 0.187 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 177.9 | -55.4 | 79.3 | -172.9 | 0 | 0 | 111.9 | K2527 M2530 S2631 L2637 | K2527-E2633 HydrophobicContact CG-CG 4.13Å; M2530-E2633 HydrophobicContact CB-CB 3.48Å; M2530-E2633 VanDerWaalsContact CB-CB 3.48Å; M2530-E2633 HydrophobicContact CB-CG 4.5Å; M2530-E2633 HydrophobicContact CG-CB 4.22Å; S2631-E2633 PolarHBondContact O-N 3.34Å; S2631-E2633 PolarHBondContact OG-N 2.96Å; S2631-E2633 PolarHBondContact OG-OE2 2.88Å; E2633-L2637 WeakPolarHBondContact O-CB 3.33Å; E2633-L2637 PolarHBondContact O-N 3.3Å; E2633-L2637 VanDerWaalsContact O-N 3.16Å |
| 2634 | L | 90.6 | Very high | 88.1 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.3 | -38.5 | 176.6 | -179.2 | 64.7 | 0 | 0 | 0 | 112.1 | W2526 M2530 L2609 K2613 L2628 S2631 L2637 R2638 | W2526-L2634 HydrophobicContact CH2-CD2 4.28Å; W2526-L2634 HydrophobicContact CZ2-CB 3.96Å; W2526-L2634 HydrophobicContact CZ2-CD2 4.04Å; W2526-L2634 HydrophobicContact CZ2-CG 4.4Å; M2530-L2634 HydrophobicContact SD-CB 4.48Å; M2530-L2634 HydrophobicContact SD-CD1 3.93Å; L2609-L2634 HydrophobicContact CD1-CD1 4.44Å; L2609-L2634 HydrophobicContact CD2-CD1 4.48Å; K2613-L2634 HydrophobicContact CD-CD2 4.46Å; L2628-L2634 WeakPolarHBondContact O-CD2 3.3Å; S2631-L2634 PolarHBondContact O-N 3.29Å; S2631-L2634 PolarHBondContact OG-N 3.16Å; L2634-L2637 PolarHBondContact O-N 3.49Å; L2634-R2638 HydrophobicContact CD1-CG 4.42Å; L2634-R2638 WeakPolarHBondContact O-CG 3.38Å; L2634-R2638 PolarHBondContact O-N 3.18Å |
| 2635 | Q | 90.1 | Very high | 87.5 | Confident | 110 Ų | 110 | 54.1 Ų | 54.1 | 51% | 0.514 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 178.1 | -72 | 179.2 | -5.3 | 0 | 0 | 111.8 | S2631 P2632 R2638 Y2639 | S2631-Q2635 WeakPolarHBondContact O-CG 3.49Å; S2631-Q2635 PolarHBondContact O-N 3.47Å; S2631-Q2635 VanDerWaalsContact O-N 3.08Å; P2632-Q2635 PolarHBondContact O-N 3.47Å; Q2635-R2638 PolarHBondContact O-N 2.94Å; Q2635-Y2639 WeakPolarHBondContact O-CB 3.35Å; Q2635-Y2639 PolarHBondContact O-N 3.2Å |
| 2636 | S | 85.6 | Confident | 87.1 | Confident | 53 Ų | 53 | 52 Ų | 52 | 37% | 0.371 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59 | -48.9 | 174.9 | -167.1 | 0 | 0 | 0 | 0 | 111.3 | E2534 P2632 R2638 Y2639 A2640 | E2534-S2636 WeakPolarHBondContact OE1-CB 3.38Å; E2534-S2636 PolarHBondContact OE1-OG 2.68Å; P2632-S2636 WeakPolarHBondContact O-CB 3.45Å; P2632-S2636 PolarHBondContact O-N 3.03Å; S2636-R2638 PolarHBondContact O-N 3.4Å; S2636-Y2639 WeakPolarHBondContact O-CB 3.34Å; S2636-Y2639 PolarHBondContact O-N 3.4Å; S2636-Y2639 VanDerWaalsContact O-N 3.17Å; S2636-A2640 PolarHBondContact O-N 3.14Å |
| 2637 | L | 86.8 | Confident | 86.9 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 179.8 | -178 | 54.9 | 0 | 0 | 0 | 113 | M2530 L2533 E2534 V2538 L2609 E2633 L2634 Y2639 A2640 L2641 | M2530-L2637 HydrophobicContact SD-CD2 4.22Å; L2533-L2637 HydrophobicContact CB-CD2 4.04Å; E2534-L2637 HydrophobicContact CB-CD1 3.78Å; E2534-L2637 HydrophobicContact CG-CD1 4.11Å; V2538-L2637 HydrophobicContact CB-CD1 3.96Å; V2538-L2637 HydrophobicContact CG1-CD1 4.47Å; V2538-L2637 HydrophobicContact CG2-CD1 3.41Å; V2538-L2637 VanDerWaalsContact CG2-CD1 3.41Å; L2609-L2637 HydrophobicContact CD1-CD2 3.88Å; L2609-L2637 HydrophobicContact CD1-CG 4.02Å; L2609-L2637 HydrophobicContact CD2-CD2 3.47Å; L2609-L2637 VanDerWaalsContact CD2-CD2 3.47Å; L2609-L2637 HydrophobicContact CD2-CG 4.48Å; L2609-L2637 HydrophobicContact CG-CD2 4.32Å; E2633-L2637 WeakPolarHBondContact O-CB 3.33Å; E2633-L2637 PolarHBondContact O-N 3.3Å; E2633-L2637 VanDerWaalsContact O-N 3.16Å; L2634-L2637 PolarHBondContact O-N 3.49Å; L2637-Y2639 VanDerWaalsContact C-N 3.35Å; L2637-A2640 PolarHBondContact O-N 3.02Å; L2637-L2641 WeakPolarHBondContact O-CG 3.44Å; L2637-L2641 PolarHBondContact O-N 2.91Å |
| 2638 | R | 88.9 | Confident | 86.6 | Confident | 95 Ų | 95 | 49.7 Ų | 49.7 | 36% | 0.358 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.2 | -37.6 | 175.6 | -76.4 | -174.2 | 172 | -152.9 | -5.3 | 112.2 | D2610 L2634 Q2635 S2636 L2641 S2642 | D2610-R2638 IonicContact OD1-NH2 3.56Å; D2610-R2638 PolarHBondContact OD1-NH2 3.31Å; D2610-R2638 IonicContact OD2-NH2 2.61Å; D2610-R2638 PolarHBondContact OD2-NH2 3.16Å; L2634-R2638 HydrophobicContact CD1-CG 4.42Å; L2634-R2638 WeakPolarHBondContact O-CG 3.38Å; L2634-R2638 PolarHBondContact O-N 3.18Å; Q2635-R2638 PolarHBondContact O-N 2.94Å; S2636-R2638 PolarHBondContact O-N 3.4Å; R2638-L2641 PolarHBondContact O-N 3Å; R2638-S2642 PolarHBondContact O-N 3.03Å |
| 2639 | Y | 85.4 | Confident | 86.3 | Confident | 102 Ų | 102 | 52 Ų | 52 | 40% | 0.4 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.2 | -46 | 174.8 | -178.7 | -106.7 | 0 | 0 | 0 | 111.2 | Q2635 S2636 L2637 L2641 S2642 L2643 T2829 | Q2635-Y2639 WeakPolarHBondContact O-CB 3.35Å; Q2635-Y2639 PolarHBondContact O-N 3.2Å; S2636-Y2639 WeakPolarHBondContact O-CB 3.34Å; S2636-Y2639 PolarHBondContact O-N 3.4Å; S2636-Y2639 VanDerWaalsContact O-N 3.17Å; L2637-Y2639 VanDerWaalsContact C-N 3.35Å; Y2639-L2641 PolarHBondContact O-N 2.85Å; Y2639-S2642 WeakPolarHBondContact O-CB 3.33Å; Y2639-S2642 PolarHBondContact O-N 3.13Å; Y2639-S2642 VanDerWaalsContact O-N 3.12Å; Y2639-S2642 PolarHBondContact O-OG 3.42Å; Y2639-L2643 HydrophobicContact CD1-CD1 4.5Å; Y2639-L2643 HydrophobicContact CE1-CD1 4.08Å; Y2639-L2643 HydrophobicContact CE1-CG 4.46Å; Y2639-L2643 PolarHBondContact O-N 3.4Å; Y2639-T2829 HydrophobicContact CE1-CG2 4.44Å |
| 2640 | A | 81.3 | Confident | 86.2 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 3% | 0.033 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | V2538 L2539 S2636 L2637 S2642 L2643 Y2644 | V2538-A2640 HydrophobicContact CG1-CB 3.86Å; L2539-A2640 HydrophobicContact CD1-CB 3.96Å; L2539-A2640 HydrophobicContact CG-CB 4.34Å; S2636-A2640 PolarHBondContact O-N 3.14Å; L2637-A2640 PolarHBondContact O-N 3.02Å; A2640-S2642 VanDerWaalsContact C-N 3.29Å; A2640-S2642 PolarHBondContact O-N 2.75Å; A2640-L2643 PolarHBondContact O-N 2.98Å; A2640-Y2644 WeakPolarHBondContact O-CD2 3.31Å |
| 2641 | L | 83.8 | Confident | 86 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.5 | -37.3 | 174.4 | -72.4 | 172.3 | 0 | 0 | 0 | 112.3 | V2538 C2602 L2605 L2609 L2637 R2638 Y2639 L2643 Y2644 | V2538-L2641 HydrophobicContact CG1-CD2 3.97Å; V2538-L2641 HydrophobicContact CG1-CG 4.26Å; V2538-L2641 HydrophobicContact CG2-CD2 3.83Å; V2538-L2641 HydrophobicContact CG2-CG 4.25Å; C2602-L2641 HydrophobicContact CB-CD2 4.48Å; L2605-L2641 HydrophobicContact CB-CD1 4.26Å; L2605-L2641 HydrophobicContact CB-CD2 4.29Å; L2605-L2641 HydrophobicContact CD1-CD2 3.81Å; L2609-L2641 HydrophobicContact CD1-CD1 3.78Å; L2637-L2641 WeakPolarHBondContact O-CG 3.44Å; L2637-L2641 PolarHBondContact O-N 2.91Å; R2638-L2641 PolarHBondContact O-N 3Å; Y2639-L2641 PolarHBondContact O-N 2.85Å; L2641-L2643 VanDerWaalsContact C-N 3.28Å; L2641-L2643 PolarHBondContact O-N 3.41Å; L2641-Y2644 PolarHBondContact O-N 2.86Å |
| 2642 | S | 85.4 | Confident | 85.9 | Confident | 43 Ų | 43 | 42.5 Ų | 42.5 | 30% | 0.301 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.4 | -26.3 | 178.2 | 83.5 | 0 | 0 | 0 | 0 | 113.7 | R2638 Y2639 A2640 T2645 Q2646 | R2638-S2642 PolarHBondContact O-N 3.03Å; Y2639-S2642 WeakPolarHBondContact O-CB 3.33Å; Y2639-S2642 PolarHBondContact O-N 3.13Å; Y2639-S2642 VanDerWaalsContact O-N 3.12Å; Y2639-S2642 PolarHBondContact O-OG 3.42Å; A2640-S2642 VanDerWaalsContact C-N 3.29Å; A2640-S2642 PolarHBondContact O-N 2.75Å; S2642-T2645 PolarHBondContact O-OG1 3.49Å; S2642-Q2646 WeakPolarHBondContact O-CG 3.28Å |
| 2643 | L | 83.2 | Confident | 85.9 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.3 | -36 | 177.7 | -65.4 | 175.2 | 0 | 0 | 0 | 111.6 | Y2639 A2640 L2641 T2645 Q2646 N2654 T2829 T2832 I2836 | Y2639-L2643 HydrophobicContact CD1-CD1 4.5Å; Y2639-L2643 HydrophobicContact CE1-CD1 4.08Å; Y2639-L2643 HydrophobicContact CE1-CG 4.46Å; Y2639-L2643 PolarHBondContact O-N 3.4Å; A2640-L2643 PolarHBondContact O-N 2.98Å; L2641-L2643 VanDerWaalsContact C-N 3.28Å; L2641-L2643 PolarHBondContact O-N 3.41Å; L2643-T2645 PolarHBondContact O-N 3.46Å; L2643-Q2646 PolarHBondContact O-N 2.68Å; L2643-N2654 VanDerWaalsContact CD2-ND2 3.28Å; L2643-N2654 WeakPolarHBondContact CD2-ND2 3.46Å; L2643-T2829 HydrophobicContact CD1-CG2 4.45Å; L2643-T2832 HydrophobicContact CD1-CG2 3.86Å; L2643-I2836 HydrophobicContact CB-CD1 3.59Å |
| 2644 | Y | 78.1 | Confident | 85.9 | Confident | 24 Ų | 24 | 42.7 Ų | 42.7 | 9% | 0.094 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.8 | -22.8 | 179.7 | -84.9 | -86.7 | 0 | 0 | 0 | 113.5 | V2538 L2539 L2597 A2640 L2641 I2836 | V2538-Y2644 HydrophobicContact CG1-CE2 4.27Å; V2538-Y2644 PolarHBondContact O-OH 2.86Å; L2539-Y2644 HydrophobicContact CD2-CE2 4.35Å; L2597-Y2644 HydrophobicContact CB-CD1 4.03Å; L2597-Y2644 HydrophobicContact CB-CE1 3.98Å; L2597-Y2644 HydrophobicContact CD1-CD2 4.43Å; L2597-Y2644 HydrophobicContact CD1-CE1 4.33Å; L2597-Y2644 HydrophobicContact CD1-CE2 4.02Å; A2640-Y2644 WeakPolarHBondContact O-CD2 3.31Å; L2641-Y2644 PolarHBondContact O-N 2.86Å; Y2644-I2836 HydrophobicContact CD1-CG1 4.16Å; Y2644-I2836 HydrophobicContact CD2-CD1 4.23Å; Y2644-I2836 HydrophobicContact CE1-CG1 4.02Å; Y2644-I2836 HydrophobicContact CE2-CD1 4.37Å; Y2644-I2836 HydrophobicContact CE2-CG1 4.41Å; Y2644-I2836 HydrophobicContact CG-CD1 4.32Å; Y2644-I2836 HydrophobicContact CG-CG1 4.41Å |
| 2645 | T | 80.3 | Confident | 85.9 | Confident | 87 Ų | 87 | 42.5 Ų | 42.5 | 53% | 0.534 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -4.1 | -176.4 | 59.5 | 0 | 0 | 0 | 0 | 114.4 | C2602 S2642 L2643 | C2602-T2645 HydrophobicContact CB-CG2 4.43Å; S2642-T2645 PolarHBondContact O-OG1 3.49Å; L2643-T2645 PolarHBondContact O-N 3.46Å |
| 2646 | Q | 84.4 | Confident | 85.8 | Confident | 51 Ų | 51 | 37.3 Ų | 37.3 | 24% | 0.238 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -79.6 | 152.7 | -177.2 | -70.6 | 177.8 | 24.4 | 0 | 0 | 113.5 | S2642 L2643 A2650 L2651 R2840 | S2642-Q2646 WeakPolarHBondContact O-CG 3.28Å; L2643-Q2646 PolarHBondContact O-N 2.68Å; Q2646-A2650 HydrophobicContact CB-CB 4.09Å; Q2646-L2651 HydrophobicContact CB-CD2 4.03Å; Q2646-L2651 HydrophobicContact CB-CG 3.99Å; Q2646-R2840 PolarHBondContact O-NH1 3.48Å; Q2646-R2840 PolarHBondContact O-NH2 3Å |
| 2647 | T | 86.6 | Confident | 85.9 | Confident | 91 Ų | 91 | 37.2 Ų | 37.2 | 56% | 0.558 | 20% | 0.2 | S | C | * | . | trans | -71.5 | 168.8 | 174.6 | 62.7 | 0 | 0 | 0 | 0 | 112.5 | A2650 L2651 R2840 | T2647-A2650 PolarHBondContact O-N 3.34Å; T2647-A2650 WeakPolarHBondContact OG1-CB 3.36Å; T2647-A2650 PolarHBondContact OG1-N 2.96Å; T2647-L2651 WeakPolarHBondContact O-CG 3.22Å; T2647-L2651 PolarHBondContact O-N 3.22Å; T2647-R2840 PolarHBondContact O-NH1 3.27Å | ||
| 2648 | T | 85.4 | Confident | 85.9 | Confident | 14 Ų | 14 | 38.8 Ų | 38.8 | 9% | 0.086 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.9 | -45 | -177.2 | -62.4 | 0 | 0 | 0 | 0 | 110.7 | A2650 L2651 I2652 L2837 R2840 D2843 A2846 | T2648-A2650 VanDerWaalsContact C-N 3.33Å; T2648-A2650 PolarHBondContact O-N 2.75Å; T2648-L2651 PolarHBondContact O-N 3.19Å; T2648-I2652 HydrophobicContact CG2-CD1 3.85Å; T2648-I2652 HydrophobicContact CG2-CG1 4.45Å; T2648-I2652 WeakPolarHBondContact O-CG1 3.28Å; T2648-I2652 PolarHBondContact O-N 3.45Å; T2648-L2837 HydrophobicContact CG2-CD2 3.82Å; T2648-R2840 VanDerWaalsContact OG1-CD 3.32Å; T2648-R2840 WeakPolarHBondContact OG1-CD 3.35Å; T2648-R2840 PolarHBondContact OG1-NH1 3.16Å; T2648-D2843 WeakPolarHBondContact CB-OD2 3.29Å; T2648-D2843 VanDerWaalsContact CG2-OD2 3.22Å; T2648-D2843 WeakPolarHBondContact CG2-OD2 3.38Å; T2648-D2843 PolarHBondContact OG1-OD2 2.73Å; T2648-A2846 HydrophobicContact CG2-CB 3.96Å |
| 2649 | D | 87 | Confident | 85.9 | Confident | 48 Ų | 48 | 34.5 Ų | 34.5 | 26% | 0.257 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61 | -39.5 | 175.2 | -66.4 | -72.8 | 0 | 0 | 0 | 112.8 | I2652 K2653 P2720 L2721 | D2649-I2652 PolarHBondContact O-N 3.44Å; D2649-K2653 VanDerWaalsContact O-CB 3.23Å; D2649-K2653 WeakPolarHBondContact O-CB 3.33Å; D2649-K2653 PolarHBondContact O-N 3.39Å; D2649-P2720 HydrophobicContact CB-CB 4.2Å; D2649-L2721 PolarHBondContact OD1-N 3.18Å |
| 2650 | A | 87.3 | Confident | 85.9 | Confident | 33 Ų | 33 | 33.4 Ų | 33.4 | 27% | 0.273 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.5 | -41.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q2646 T2647 T2648 K2653 N2654 | Q2646-A2650 HydrophobicContact CB-CB 4.09Å; T2647-A2650 PolarHBondContact O-N 3.34Å; T2647-A2650 WeakPolarHBondContact OG1-CB 3.36Å; T2647-A2650 PolarHBondContact OG1-N 2.96Å; T2648-A2650 VanDerWaalsContact C-N 3.33Å; T2648-A2650 PolarHBondContact O-N 2.75Å; A2650-K2653 PolarHBondContact O-N 3.44Å; A2650-N2654 VanDerWaalsContact O-CB 3.23Å; A2650-N2654 WeakPolarHBondContact O-CB 3.33Å; A2650-N2654 PolarHBondContact O-N 3.48Å |
| 2651 | L | 88.7 | Confident | 86 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.8 | -44.6 | 174.6 | -75.6 | 176.2 | 0 | 0 | 0 | 112.1 | Q2646 T2647 T2648 N2654 F2655 I2833 I2836 L2837 | Q2646-L2651 HydrophobicContact CB-CD2 4.03Å; Q2646-L2651 HydrophobicContact CB-CG 3.99Å; T2647-L2651 WeakPolarHBondContact O-CG 3.22Å; T2647-L2651 PolarHBondContact O-N 3.22Å; T2648-L2651 PolarHBondContact O-N 3.19Å; L2651-N2654 PolarHBondContact O-N 3.39Å; L2651-F2655 WeakPolarHBondContact O-CB 3.3Å; L2651-F2655 PolarHBondContact O-N 2.71Å; L2651-I2833 HydrophobicContact CB-CG2 3.99Å; L2651-I2833 HydrophobicContact CD2-CG1 4.21Å; L2651-I2833 HydrophobicContact CD2-CG2 4.27Å; L2651-I2836 HydrophobicContact CD1-CB 4.21Å; L2651-I2836 HydrophobicContact CD1-CG2 3.5Å; L2651-I2836 VanDerWaalsContact CD1-CG2 3.5Å; L2651-L2837 HydrophobicContact CB-CD1 4.43Å; L2651-L2837 HydrophobicContact CB-CD2 3.93Å; L2651-L2837 HydrophobicContact CB-CG 4.22Å; L2651-L2837 HydrophobicContact CD1-CD2 3.75Å; L2651-L2837 HydrophobicContact CD1-CG 4.11Å |
| 2652 | I | 88.5 | Confident | 86.2 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.6 | -44.1 | 176.5 | -68.9 | 172.3 | 0 | 0 | 0 | 110.4 | T2648 D2649 N2654 F2655 V2656 L2837 I2845 F2849 | T2648-I2652 HydrophobicContact CG2-CD1 3.85Å; T2648-I2652 HydrophobicContact CG2-CG1 4.45Å; T2648-I2652 WeakPolarHBondContact O-CG1 3.28Å; T2648-I2652 PolarHBondContact O-N 3.45Å; D2649-I2652 PolarHBondContact O-N 3.44Å; I2652-N2654 VanDerWaalsContact C-N 3.33Å; I2652-N2654 PolarHBondContact O-N 3.28Å; I2652-F2655 WeakPolarHBondContact O-CB 3.12Å; I2652-F2655 PolarHBondContact O-N 3.47Å; I2652-V2656 WeakPolarHBondContact O-CG2 3.46Å; I2652-V2656 PolarHBondContact O-N 3.44Å; I2652-L2837 HydrophobicContact CG1-CD1 4.04Å; I2652-I2845 HydrophobicContact CD1-CG2 3.57Å; I2652-F2849 HydrophobicContact CD1-CB 4.48Å; I2652-F2849 HydrophobicContact CD1-CD2 4.18Å; I2652-F2849 HydrophobicContact CD1-CG 4.31Å; I2652-F2849 HydrophobicContact CG1-CD1 4.49Å; I2652-F2849 HydrophobicContact CG1-CD2 4.1Å; I2652-F2849 HydrophobicContact CG1-CE2 4.21Å; I2652-F2849 HydrophobicContact CG1-CG 4.24Å; I2652-F2849 HydrophobicContact CG1-CZ 4.43Å; I2652-F2849 HydrophobicContact CG2-CD2 4.28Å; I2652-F2849 HydrophobicContact CG2-CE2 3.9Å; I2652-F2849 HydrophobicContact CG2-CZ 4.49Å |
| 2653 | K | 88.5 | Confident | 86 | Confident | 100 Ų | 100 | 36.1 Ų | 36.1 | 44% | 0.435 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.8 | -45.2 | 174.9 | -177.3 | 177.6 | -179.3 | 176.2 | 0 | 111.2 | D2649 A2650 F2655 V2656 A2657 S2758 | D2649-K2653 VanDerWaalsContact O-CB 3.23Å; D2649-K2653 WeakPolarHBondContact O-CB 3.33Å; D2649-K2653 PolarHBondContact O-N 3.39Å; A2650-K2653 PolarHBondContact O-N 3.44Å; K2653-F2655 VanDerWaalsContact C-N 3.33Å; K2653-V2656 PolarHBondContact O-N 3.08Å; K2653-A2657 VanDerWaalsContact O-CB 3.27Å; K2653-A2657 WeakPolarHBondContact O-CB 3.38Å; K2653-A2657 PolarHBondContact O-N 3.31Å; K2653-S2758 WeakPolarHBondContact CE-OG 3.07Å |
| 2654 | N | 87.6 | Confident | 85.9 | Confident | 29 Ų | 29 | 40.4 Ų | 40.4 | 16% | 0.155 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.4 | -37.1 | 177.1 | -165.5 | 4.6 | 0 | 0 | 0 | 111.5 | L2643 A2650 L2651 I2652 A2657 T2658 I2833 | L2643-N2654 VanDerWaalsContact CD2-ND2 3.28Å; L2643-N2654 WeakPolarHBondContact CD2-ND2 3.46Å; A2650-N2654 VanDerWaalsContact O-CB 3.23Å; A2650-N2654 WeakPolarHBondContact O-CB 3.33Å; A2650-N2654 PolarHBondContact O-N 3.48Å; L2651-N2654 PolarHBondContact O-N 3.39Å; I2652-N2654 VanDerWaalsContact C-N 3.33Å; I2652-N2654 PolarHBondContact O-N 3.28Å; N2654-A2657 PolarHBondContact O-N 2.98Å; N2654-T2658 WeakPolarHBondContact O-CB 3.23Å; N2654-T2658 VanDerWaalsContact O-CG2 3.25Å; N2654-T2658 WeakPolarHBondContact O-CG2 3.49Å; N2654-T2658 PolarHBondContact O-N 2.99Å; N2654-T2658 PolarHBondContact O-OG1 3.4Å; N2654-T2658 WeakPolarHBondContact OD1-CG2 3.49Å; N2654-I2833 HydrophobicContact CB-CD1 4.12Å |
| 2655 | F | 90.9 | Very high | 86 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.6 | -52.3 | 173.3 | -172.9 | -79 | 0 | 0 | 0 | 111.3 | L2651 I2652 K2653 A2657 T2658 Q2659 L2826 I2833 L2834 F2849 K2853 | L2651-F2655 WeakPolarHBondContact O-CB 3.3Å; L2651-F2655 PolarHBondContact O-N 2.71Å; I2652-F2655 WeakPolarHBondContact O-CB 3.12Å; I2652-F2655 PolarHBondContact O-N 3.47Å; K2653-F2655 VanDerWaalsContact C-N 3.33Å; F2655-A2657 PolarHBondContact O-N 2.85Å; F2655-T2658 PolarHBondContact O-N 3.5Å; F2655-T2658 PolarHBondContact O-OG1 3.4Å; F2655-T2658 VanDerWaalsContact O-OG1 3.14Å; F2655-Q2659 HydrophobicContact CD1-CB 4.1Å; F2655-Q2659 HydrophobicContact CD1-CG 3.58Å; F2655-Q2659 HydrophobicContact CD2-CG 3.92Å; F2655-Q2659 HydrophobicContact CE1-CB 4.02Å; F2655-Q2659 HydrophobicContact CE1-CG 3.54Å; F2655-Q2659 HydrophobicContact CE2-CG 3.86Å; F2655-Q2659 HydrophobicContact CG-CG 3.82Å; F2655-Q2659 HydrophobicContact CZ-CG 3.72Å; F2655-Q2659 VanDerWaalsContact O-CB 3.24Å; F2655-Q2659 WeakPolarHBondContact O-CB 3.37Å; F2655-Q2659 VanDerWaalsContact O-CG 3.22Å; F2655-Q2659 WeakPolarHBondContact O-CG 3.45Å; F2655-Q2659 PolarHBondContact O-N 3.13Å; F2655-L2826 HydrophobicContact CE1-CD2 4.16Å; F2655-L2826 HydrophobicContact CE2-CD1 4.46Å; F2655-L2826 HydrophobicContact CE2-CD2 3.99Å; F2655-L2826 HydrophobicContact CZ-CD1 4.3Å; F2655-L2826 HydrophobicContact CZ-CD2 3.35Å; F2655-L2826 HydrophobicContact CZ-CG 4.47Å; F2655-I2833 HydrophobicContact CB-CD1 4.16Å; F2655-I2833 HydrophobicContact CB-CG2 4.09Å; F2655-I2833 HydrophobicContact CD2-CB 4.19Å; F2655-I2833 HydrophobicContact CD2-CG2 4.03Å; F2655-L2834 HydrophobicContact CE2-CD1 4.18Å; F2655-L2834 HydrophobicContact CE2-CD2 4.44Å; F2655-L2834 HydrophobicContact CE2-CG 3.85Å; F2655-F2849 HydrophobicContact CB-CZ 4.09Å; F2655-F2849 HydrophobicContact CD1-CE1 4.19Å; F2655-F2849 HydrophobicContact CD1-CE2 4.45Å; F2655-F2849 AromaticContact CD1-CZ 3.47Å; F2655-F2849 HydrophobicContact CD1-CZ 3.47Å; F2655-F2849 VanDerWaalsContact CD1-CZ 3.47Å; F2655-F2849 HydrophobicContact CD2-CE1 4.02Å; F2655-F2849 HydrophobicContact CD2-CZ 4.11Å; F2655-F2849 HydrophobicContact CE1-CE1 4.29Å; F2655-F2849 AromaticContact CE1-CZ 3.73Å; F2655-F2849 HydrophobicContact CE1-CZ 3.73Å; F2655-F2849 HydrophobicContact CE2-CE1 4.15Å; F2655-F2849 HydrophobicContact CE2-CZ 4.35Å; F2655-F2849 HydrophobicContact CG-CE1 4.01Å; F2655-F2849 AromaticContact CG-CZ 3.63Å; F2655-F2849 HydrophobicContact CG-CZ 3.63Å; F2655-F2849 HydrophobicContact CZ-CE1 4.23Å; F2655-F2849 HydrophobicContact CZ-CZ 4.13Å; F2655-K2853 HydrophobicContact CE1-CD 4.03Å; F2655-K2853 HydrophobicContact CE1-CG 4.37Å; F2655-K2853 HydrophobicContact CZ-CD 4.07Å; F2655-K2853 HydrophobicContact CZ-CG 4.13Å |
| 2656 | V | 89.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.4 | -36 | 178.9 | 179 | 0 | 0 | 0 | 0 | 111.1 | I2652 K2653 E2760 R2785 | I2652-V2656 WeakPolarHBondContact O-CG2 3.46Å; I2652-V2656 PolarHBondContact O-N 3.44Å; K2653-V2656 PolarHBondContact O-N 3.08Å; V2656-E2760 HydrophobicContact CG1-CB 4.41Å; V2656-E2760 HydrophobicContact CG1-CG 4.5Å; V2656-E2760 HydrophobicContact CG2-CG 4.07Å; V2656-R2785 PolarHBondContact O-NH2 3.46Å |
| 2657 | A | 87.1 | Confident | 85.6 | Confident | 52 Ų | 52 | 39.2 Ų | 39.2 | 43% | 0.43 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.2 | -45.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K2653 N2654 F2655 R2785 | K2653-A2657 VanDerWaalsContact O-CB 3.27Å; K2653-A2657 WeakPolarHBondContact O-CB 3.38Å; K2653-A2657 PolarHBondContact O-N 3.31Å; N2654-A2657 PolarHBondContact O-N 2.98Å; F2655-A2657 PolarHBondContact O-N 2.85Å; A2657-R2785 PolarHBondContact O-NH2 3.23Å; A2657-R2785 VanDerWaalsContact O-NH2 3.12Å |
| 2658 | T | 86.1 | Confident | 85.3 | Confident | 35 Ų | 35 | 42.7 Ų | 42.7 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -81.7 | -41.4 | -175.1 | 52.4 | 0 | 0 | 0 | 0 | 113.1 | N2654 F2655 T2660 T2829 | N2654-T2658 WeakPolarHBondContact O-CB 3.23Å; N2654-T2658 VanDerWaalsContact O-CG2 3.25Å; N2654-T2658 WeakPolarHBondContact O-CG2 3.49Å; N2654-T2658 PolarHBondContact O-N 2.99Å; N2654-T2658 PolarHBondContact O-OG1 3.4Å; N2654-T2658 WeakPolarHBondContact OD1-CG2 3.49Å; F2655-T2658 PolarHBondContact O-N 3.5Å; F2655-T2658 PolarHBondContact O-OG1 3.4Å; F2655-T2658 VanDerWaalsContact O-OG1 3.14Å; T2658-T2660 VanDerWaalsContact C-N 3.29Å; T2658-T2660 PolarHBondContact O-N 3.34Å; T2658-T2829 HydrophobicContact CG2-CG2 4.15Å |
| 2659 | Q | 89.1 | Confident | 85.3 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 2% | 0.023 | 25% | 0.25 | C | C | . | . | trans | -80.8 | 67.3 | -173.3 | -58.5 | -42.3 | -72.6 | 0 | 0 | 112.3 | F2655 Q2662 Q2783 L2826 D2827 | F2655-Q2659 HydrophobicContact CD1-CB 4.1Å; F2655-Q2659 HydrophobicContact CD1-CG 3.58Å; F2655-Q2659 HydrophobicContact CD2-CG 3.92Å; F2655-Q2659 HydrophobicContact CE1-CB 4.02Å; F2655-Q2659 HydrophobicContact CE1-CG 3.54Å; F2655-Q2659 HydrophobicContact CE2-CG 3.86Å; F2655-Q2659 HydrophobicContact CG-CG 3.82Å; F2655-Q2659 HydrophobicContact CZ-CG 3.72Å; F2655-Q2659 VanDerWaalsContact O-CB 3.24Å; F2655-Q2659 WeakPolarHBondContact O-CB 3.37Å; F2655-Q2659 VanDerWaalsContact O-CG 3.22Å; F2655-Q2659 WeakPolarHBondContact O-CG 3.45Å; F2655-Q2659 PolarHBondContact O-N 3.13Å; Q2659-Q2662 HydrophobicContact CB-CG 3.66Å; Q2659-Q2662 WeakPolarHBondContact O-CG 3.32Å; Q2659-Q2662 PolarHBondContact O-NE2 2.99Å; Q2659-Q2783 PolarHBondContact O-NE2 3.49Å; Q2659-L2826 HydrophobicContact CG-CD2 4.15Å; Q2659-D2827 PolarHBondContact NE2-OD1 3.02Å; Q2659-D2827 PolarHBondContact NE2-OD2 3.24Å | ||
| 2660 | T | 84.9 | Confident | 85.3 | Confident | 79 Ų | 79 | 44.7 Ų | 44.7 | 49% | 0.485 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -11.6 | -176.4 | 54.5 | 0 | 0 | 0 | 0 | 115.2 | T2658 | T2658-T2660 VanDerWaalsContact C-N 3.29Å; T2658-T2660 PolarHBondContact O-N 3.34Å |
| 2661 | S | 85.1 | Confident | 85.5 | Confident | 40 Ų | 40 | 43.3 Ų | 43.3 | 28% | 0.28 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126 | 38 | -172.4 | -62.4 | 0 | 0 | 0 | 0 | 113.3 | D2663 K2664 | S2661-D2663 VanDerWaalsContact C-N 3.25Å; S2661-D2663 PolarHBondContact O-N 3.18Å; S2661-K2664 VanDerWaalsContact CB-CE 3.42Å; S2661-K2664 PolarHBondContact O-N 3.22Å; S2661-K2664 PolarHBondContact OG-NZ 3.34Å |
| 2662 | Q | 87 | Confident | 85.6 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 1% | 0.014 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -23.8 | -172 | -71.4 | 175.6 | 73.7 | 0 | 0 | 114.3 | Q2659 P2665 E2760 V2781 L2824 H2825 L2826 | Q2659-Q2662 HydrophobicContact CB-CG 3.66Å; Q2659-Q2662 WeakPolarHBondContact O-CG 3.32Å; Q2659-Q2662 PolarHBondContact O-NE2 2.99Å; Q2662-P2665 WeakPolarHBondContact O-CD 3.22Å; Q2662-E2760 PolarHBondContact NE2-OE2 3.25Å; Q2662-V2781 HydrophobicContact CB-CB 4.49Å; Q2662-L2824 HydrophobicContact CB-CD2 4.33Å; Q2662-H2825 WeakPolarHBondContact CA-O 3.49Å; Q2662-H2825 PolarHBondContact O-N 2.69Å; Q2662-L2826 HydrophobicContact CG-CD2 4.3Å |
| 2663 | D | 81.8 | Confident | 85.7 | Confident | 64 Ų | 64 | 46.7 Ų | 46.7 | 34% | 0.342 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -7.2 | -175.7 | 64.7 | -27.2 | 0 | 0 | 0 | 114.1 | S2661 P2665 A2666 I2667 | S2661-D2663 VanDerWaalsContact C-N 3.25Å; S2661-D2663 PolarHBondContact O-N 3.18Å; D2663-P2665 VanDerWaalsContact C-N 3.32Å; D2663-P2665 VanDerWaalsContact O-N 3.12Å; D2663-A2666 WeakPolarHBondContact O-CA 3.5Å; D2663-A2666 VanDerWaalsContact O-CB 3.23Å; D2663-A2666 WeakPolarHBondContact O-CB 3.24Å; D2663-A2666 PolarHBondContact O-N 2.98Å; D2663-I2667 PolarHBondContact O-N 3.42Å |
| 2664 | K | 81.2 | Confident | 86 | Confident | 92 Ų | 92 | 42 Ų | 42 | 40% | 0.4 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -42.8 | -47.6 | 176.9 | -80.1 | 175.7 | 176.1 | 159.8 | 0 | 114.4 | S2661 A2666 I2667 E2668 H2825 | S2661-K2664 VanDerWaalsContact CB-CE 3.42Å; S2661-K2664 PolarHBondContact O-N 3.22Å; S2661-K2664 PolarHBondContact OG-NZ 3.34Å; K2664-A2666 VanDerWaalsContact C-N 3.26Å; K2664-A2666 PolarHBondContact O-N 3.43Å; K2664-I2667 PolarHBondContact O-N 2.87Å; K2664-I2667 VanDerWaalsContact O-N 3.16Å; K2664-E2668 PolarHBondContact O-N 3.24Å; K2664-E2668 VanDerWaalsContact O-N 3.11Å; K2664-H2825 HydrophobicContact CB-CB 4.31Å |
| 2665 | P | 78.9 | Confident | 86.3 | Confident | 19 Ų | 19 | 41.4 Ų | 41.4 | 12% | 0.123 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.2 | -26 | -179.7 | -18.4 | 33.7 | 0 | 0 | 0 | 113.2 | Q2662 D2663 D2669 R2823 H2825 | Q2662-P2665 WeakPolarHBondContact O-CD 3.22Å; D2663-P2665 VanDerWaalsContact C-N 3.32Å; D2663-P2665 VanDerWaalsContact O-N 3.12Å; P2665-D2669 PolarHBondContact O-N 2.86Å; P2665-D2669 VanDerWaalsContact O-N 3.1Å; P2665-R2823 HydrophobicContact CB-CG 4.35Å; P2665-R2823 HydrophobicContact CG-CG 4.49Å; P2665-H2825 HydrophobicContact CG-CB 3.62Å |
| 2666 | A | 79.4 | Confident | 86.4 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 3% | 0.025 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -73.2 | -31.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D2663 K2664 S2670 S2819 G2821 | D2663-A2666 WeakPolarHBondContact O-CA 3.5Å; D2663-A2666 VanDerWaalsContact O-CB 3.23Å; D2663-A2666 WeakPolarHBondContact O-CB 3.24Å; D2663-A2666 PolarHBondContact O-N 2.98Å; K2664-A2666 VanDerWaalsContact C-N 3.26Å; K2664-A2666 PolarHBondContact O-N 3.43Å; A2666-S2670 WeakPolarHBondContact O-CA 3.45Å; A2666-S2670 WeakPolarHBondContact O-CB 3.26Å; A2666-S2670 PolarHBondContact O-N 2.7Å; A2666-S2819 WeakPolarHBondContact CB-O 3.46Å; A2666-S2819 WeakPolarHBondContact O-CB 3.43Å; A2666-G2821 VanDerWaalsContact CB-N 3.28Å |
| 2667 | I | 77.6 | Confident | 86.6 | Confident | 115 Ų | 115 | 44.2 Ų | 44.2 | 59% | 0.59 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -72.8 | -40.6 | 175.2 | -59.3 | 171.2 | 0 | 0 | 0 | 110.6 | D2663 K2664 | D2663-I2667 PolarHBondContact O-N 3.42Å; K2664-I2667 PolarHBondContact O-N 2.87Å; K2664-I2667 VanDerWaalsContact O-N 3.16Å |
| 2668 | E | 81.5 | Confident | 86.7 | Confident | 165 Ų | 165 | 41.7 Ų | 41.7 | 77% | 0.771 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -75.6 | -41.6 | -177.7 | -69.2 | 176.5 | 178.1 | 0 | 0 | 113.8 | K2664 | K2664-E2668 PolarHBondContact O-N 3.24Å; K2664-E2668 VanDerWaalsContact O-N 3.11Å |
| 2669 | D | 84.8 | Confident | 86.8 | Confident | 79 Ų | 79 | 42 Ų | 42 | 42% | 0.422 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -139 | 68.2 | -176.4 | -175 | 19.7 | 0 | 0 | 0 | 111.3 | P2665 V2671 K2822 | P2665-D2669 PolarHBondContact O-N 2.86Å; P2665-D2669 VanDerWaalsContact O-N 3.1Å; D2669-V2671 PolarHBondContact O-N 2.91Å; D2669-K2822 IonicContact OD1-NZ 2.8Å; D2669-K2822 VanDerWaalsContact OD2-CE 3.25Å; D2669-K2822 WeakPolarHBondContact OD2-CE 3.35Å; D2669-K2822 IonicContact OD2-NZ 2.73Å; D2669-K2822 PolarHBondContact OD2-NZ 3.09Å |
| 2670 | S | 87.1 | Confident | 86.7 | Confident | 25 Ų | 25 | 42.6 Ų | 42.6 | 18% | 0.175 | 22% | 0.224 | C | C | . | . | trans | -62.2 | 130.6 | -179.4 | 176.6 | 0 | 0 | 0 | 0 | 112.2 | A2666 G2672 K2702 L2820 | A2666-S2670 WeakPolarHBondContact O-CA 3.45Å; A2666-S2670 WeakPolarHBondContact O-CB 3.26Å; A2666-S2670 PolarHBondContact O-N 2.7Å; S2670-G2672 PolarHBondContact OG-N 2.64Å; S2670-G2672 PolarHBondContact OG-O 3.36Å; S2670-K2702 WeakPolarHBondContact O-CE 3.27Å; S2670-K2702 PolarHBondContact O-NZ 2.75Å; S2670-L2820 CarbonylContact C-O 3.15Å; S2670-L2820 WeakPolarHBondContact CA-O 3.32Å | ||
| 2671 | V | 90.6 | Very high | 86.5 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -101.4 | 11.2 | 174.7 | -68.3 | 0 | 0 | 0 | 0 | 113.5 | D2669 L2701 K2702 I2777 L2820 K2822 | D2669-V2671 PolarHBondContact O-N 2.91Å; V2671-L2701 CarbonylContact O-C 3.19Å; V2671-K2702 PolarHBondContact O-N 3.07Å; V2671-I2777 WeakPolarHBondContact CG2-O 3.43Å; V2671-L2820 HydrophobicContact CG2-CB 3.98Å; V2671-L2820 WeakPolarHBondContact CG2-O 3.36Å; V2671-L2820 PolarHBondContact N-O 2.7Å; V2671-K2822 HydrophobicContact CG1-CD 4.25Å; V2671-K2822 HydrophobicContact CG1-CG 3.58Å |
| 2672 | G | 90.3 | Very high | 86.2 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | trans | 145.9 | 174.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | S2670 N2699 N2700 L2820 | S2670-G2672 PolarHBondContact OG-N 2.64Å; S2670-G2672 PolarHBondContact OG-O 3.36Å; G2672-N2699 WeakPolarHBondContact CA-O 3.42Å; G2672-N2700 WeakPolarHBondContact CA-O 3.48Å; G2672-L2820 WeakPolarHBondContact O-CB 3.47Å; G2672-L2820 PolarHBondContact O-N 2.81Å | ||
| 2673 | E | 92.2 | Very high | 85.5 | Confident | 71 Ų | 71 | 51.7 Ų | 51.7 | 33% | 0.332 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 148 | -178.4 | -69.6 | 170.7 | -172.5 | 0 | 0 | 109.8 | A2698 N2699 I2817 C2818 | E2673-A2698 CarbonylContact O-C 3.39Å; E2673-A2698 WeakPolarHBondContact O-CA 3.43Å; E2673-N2699 HydrophobicContact CB-CB 4.31Å; E2673-N2699 PolarHBondContact N-O 2.82Å; E2673-N2699 PolarHBondContact O-N 3.32Å; E2673-I2817 HydrophobicContact CB-CG2 3.73Å; E2673-I2817 HydrophobicContact CG-CG2 4.1Å; E2673-C2818 CarbonylContact C-O 3.57Å; E2673-C2818 WeakPolarHBondContact CA-O 3.36Å |
| 2674 | L | 93.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 113.8 | 179 | -176.4 | 65.5 | 0 | 0 | 0 | 109.1 | I2676 V2695 A2698 I2713 M2763 I2817 C2818 L2820 | L2674-I2676 HydrophobicContact CD2-CG2 4.09Å; L2674-I2676 HydrophobicContact CG-CG2 3.91Å; L2674-V2695 HydrophobicContact CD1-CG1 3.97Å; L2674-A2698 HydrophobicContact CD1-CB 4.12Å; L2674-I2713 HydrophobicContact CD1-CD1 3.71Å; L2674-I2713 HydrophobicContact CD1-CG1 3.73Å; L2674-I2713 HydrophobicContact CD1-CG2 4.11Å; L2674-I2713 HydrophobicContact CD2-CG2 3.9Å; L2674-M2763 HydrophobicContact CD2-CB 3.83Å; L2674-M2763 HydrophobicContact CD2-CG 4.26Å; L2674-M2763 HydrophobicContact CD2-SD 3.68Å; L2674-I2817 CarbonylContact O-C 3.55Å; L2674-I2817 WeakPolarHBondContact O-CA 3.42Å; L2674-C2818 PolarHBondContact N-O 2.87Å; L2674-C2818 PolarHBondContact O-N 3.27Å; L2674-L2820 HydrophobicContact CB-CD2 4.29Å; L2674-L2820 HydrophobicContact CB-CG 4.37Å |
| 2675 | S | 93.6 | Very high | 83.9 | Confident | 18 Ų | 18 | 54.5 Ų | 54.5 | 13% | 0.126 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 117 | 175 | -58 | 0 | 0 | 0 | 0 | 110 | I2696 A2697 N2699 | S2675-I2696 WeakPolarHBondContact O-CB 3.23Å; S2675-I2696 PolarHBondContact O-N 3.13Å; S2675-A2697 WeakPolarHBondContact CB-O 3.32Å; S2675-A2697 PolarHBondContact N-O 3.44Å; S2675-A2697 PolarHBondContact O-N 3.49Å; S2675-N2699 PolarHBondContact OG-ND2 3.39Å |
| 2676 | I | 93.6 | Very high | 83.7 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 155.8 | -178 | 51.2 | 163 | 0 | 0 | 0 | 111.2 | L2674 V2678 I2693 T2694 V2695 M2763 L2782 A2815 C2816 | L2674-I2676 HydrophobicContact CD2-CG2 4.09Å; L2674-I2676 HydrophobicContact CG-CG2 3.91Å; I2676-V2678 HydrophobicContact CD1-CG2 3.9Å; I2676-I2693 HydrophobicContact CB-CD1 4.39Å; I2676-I2693 HydrophobicContact CB-CG1 4.49Å; I2676-I2693 HydrophobicContact CD1-CD1 4.29Å; I2676-I2693 HydrophobicContact CG2-CD1 4.11Å; I2676-I2693 HydrophobicContact CG2-CG1 4.41Å; I2676-T2694 CarbonylContact C-O 3.03Å; I2676-T2694 VanDerWaalsContact CA-O 3.32Å; I2676-T2694 WeakPolarHBondContact CA-O 3.44Å; I2676-V2695 HydrophobicContact CG2-CG2 4.34Å; I2676-M2763 HydrophobicContact CD1-CE 3.74Å; I2676-M2763 HydrophobicContact CD1-SD 3.75Å; I2676-M2763 HydrophobicContact CG2-SD 4.15Å; I2676-L2782 HydrophobicContact CD1-CD2 3.92Å; I2676-A2815 WeakPolarHBondContact O-CA 3.44Å; I2676-C2816 WeakPolarHBondContact CG1-O 3.36Å; I2676-C2816 PolarHBondContact N-O 3.22Å; I2676-C2816 PolarHBondContact O-N 2.87Å |
| 2677 | H | 92.6 | Very high | 83.3 | Confident | 57 Ų | 57 | 58.9 Ų | 58.9 | 26% | 0.264 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 120.1 | 168.3 | -178.2 | 71.8 | 0 | 0 | 0 | 108.9 | D2679 I2693 T2694 I2696 C2814 | H2677-D2679 IonicContact CD2-OD2 3.77Å; H2677-D2679 IonicContact CE1-OD1 3.9Å; H2677-D2679 IonicContact NE2-OD1 3.37Å; H2677-D2679 PolarHBondContact NE2-OD1 3.09Å; H2677-D2679 IonicContact NE2-OD2 3.56Å; H2677-I2693 CarbonylContact O-C 3.59Å; H2677-I2693 WeakPolarHBondContact O-CA 3.35Å; H2677-T2694 PolarHBondContact N-O 3.41Å; H2677-T2694 PolarHBondContact O-N 3.41Å; H2677-I2696 HydrophobicContact CB-CD1 4.16Å; H2677-C2814 CarbonylContact C-O 3.58Å; H2677-C2814 WeakPolarHBondContact CA-O 3.43Å |
| 2678 | V | 90.7 | Very high | 83.2 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 122.4 | -176.4 | -168.9 | 0 | 0 | 0 | 0 | 109.8 | I2676 V2691 T2692 I2693 L2761 L2782 L2787 A2813 C2814 | I2676-V2678 HydrophobicContact CD1-CG2 3.9Å; V2678-V2691 HydrophobicContact CG1-CG1 3.79Å; V2678-T2692 CarbonylContact C-O 3.51Å; V2678-T2692 WeakPolarHBondContact CA-O 3.39Å; V2678-I2693 HydrophobicContact CG2-CB 4.24Å; V2678-I2693 HydrophobicContact CG2-CD1 3.98Å; V2678-I2693 HydrophobicContact CG2-CG1 3.95Å; V2678-L2761 HydrophobicContact CG1-CD1 4.06Å; V2678-L2761 HydrophobicContact CG2-CD1 4.39Å; V2678-L2782 HydrophobicContact CB-CD2 4.44Å; V2678-L2782 HydrophobicContact CG2-CD2 3.75Å; V2678-L2787 HydrophobicContact CB-CD1 3.92Å; V2678-L2787 HydrophobicContact CG1-CD1 3.47Å; V2678-L2787 VanDerWaalsContact CG1-CD1 3.47Å; V2678-A2813 CarbonylContact O-C 3.26Å; V2678-A2813 WeakPolarHBondContact O-CA 3.48Å; V2678-C2814 PolarHBondContact N-O 2.88Å; V2678-C2814 PolarHBondContact O-N 3.46Å |
| 2679 | D | 87.8 | Confident | 83.2 | Confident | 41 Ų | 41 | 49.2 Ų | 49.2 | 22% | 0.219 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 117.7 | 174.3 | -68.7 | -41.9 | 0 | 0 | 0 | 110.2 | H2677 T2692 A2813 | H2677-D2679 IonicContact CD2-OD2 3.77Å; H2677-D2679 IonicContact CE1-OD1 3.9Å; H2677-D2679 IonicContact NE2-OD1 3.37Å; H2677-D2679 PolarHBondContact NE2-OD1 3.09Å; H2677-D2679 IonicContact NE2-OD2 3.56Å; D2679-T2692 PolarHBondContact N-O 2.84Å; D2679-T2692 PolarHBondContact O-N 2.9Å; D2679-A2813 WeakPolarHBondContact OD1-CA 3.25Å; D2679-A2813 WeakPolarHBondContact OD1-CB 3.37Å |
| 2680 | L | 85.9 | Confident | 83.3 | Confident | 17 Ų | 17 | 49.2 Ų | 49.2 | 9% | 0.089 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 110.5 | 168.2 | -176.8 | 67.3 | 0 | 0 | 0 | 109.2 | H2689 V2691 P2756 G2812 | L2680-H2689 HydrophobicContact CD1-CB 4.19Å; L2680-V2691 HydrophobicContact CD1-CG2 3.76Å; L2680-P2756 HydrophobicContact CD2-CB 3.95Å; L2680-P2756 HydrophobicContact CD2-CG 4.04Å; L2680-G2812 PolarHBondContact N-O 3.4Å; L2680-G2812 PolarHBondContact O-N 2.94Å |
| 2681 | F | 80.7 | Confident | 83.4 | Confident | 80 Ų | 80 | 48 Ų | 48 | 35% | 0.351 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 127.6 | 178.7 | 176.8 | -100.9 | 0 | 0 | 0 | 110.4 | H2683 P2684 H2689 K2690 | F2681-H2683 HydrophobicContact CE1-CB 4.28Å; F2681-P2684 HydrophobicContact CZ-CG 4.34Å; F2681-H2689 CarbonylContact O-C 3.48Å; F2681-K2690 HydrophobicContact CB-CB 4.43Å; F2681-K2690 HydrophobicContact CD1-CB 4.38Å; F2681-K2690 PolarHBondContact N-O 2.7Å; F2681-K2690 PolarHBondContact O-N 3.11Å |
| 2682 | R | 80.6 | Confident | 83.4 | Confident | 164 Ų | 164 | 48.9 Ų | 48.9 | 62% | 0.619 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 121.6 | 171.9 | -169.7 | 179.1 | -172.7 | 177.5 | -0.1 | 109.5 | P2684 | R2682-P2684 WeakPolarHBondContact O-CD 3.5Å |
| 2683 | H | 70.7 | Confident | 83.5 | Confident | 69 Ų | 69 | 48.8 Ų | 48.8 | 32% | 0.319 | 25% | 0.252 | S | S | . | . | trans | -68.4 | 123.3 | -179 | -160.8 | -82.7 | 0 | 0 | 0 | 111.1 | F2681 S2685 H2686 G2687 E2688 | F2681-H2683 HydrophobicContact CE1-CB 4.28Å; H2683-S2685 PolarHBondContact CE1-OG 3.29Å; H2683-S2685 PolarHBondContact ND1-N 2.99Å; H2683-S2685 PolarHBondContact ND1-OG 3.42Å; H2683-S2685 PolarHBondContact O-N 2.93Å; H2683-S2685 VanDerWaalsContact O-N 3.16Å; H2683-H2686 WeakPolarHBondContact CB-CE1 3.42Å; H2683-H2686 VanDerWaalsContact CB-NE2 3.3Å; H2683-H2686 WeakPolarHBondContact CB-NE2 3.17Å; H2683-H2686 AromaticContact CD2-CD2 3.89Å; H2683-H2686 AromaticContact CD2-NE2 3.24Å; H2683-H2686 PolarHBondContact CD2-NE2 2.98Å; H2683-H2686 AromaticContact CE1-CD2 3.56Å; H2683-H2686 AromaticContact CE1-NE2 3.69Å; H2683-H2686 AromaticContact CG-CD2 3.32Å; H2683-H2686 AromaticContact CG-CE1 3.51Å; H2683-H2686 AromaticContact CG-CG 4Å; H2683-H2686 AromaticContact CG-NE2 2.96Å; H2683-H2686 AromaticContact ND1-CD2 3.08Å; H2683-H2686 PolarHBondContact ND1-CD2 3.42Å; H2683-H2686 AromaticContact ND1-CG 3.83Å; H2683-H2686 AromaticContact ND1-NE2 3.28Å; H2683-H2686 PolarHBondContact ND1-NE2 3.15Å; H2683-H2686 AromaticContact NE2-NE2 3.72Å; H2683-G2687 PolarHBondContact O-N 2.91Å; H2683-G2687 VanDerWaalsContact O-N 3.09Å; H2683-E2688 PolarHBondContact N-O 3.17Å | ||
| 2684 | P | 66.3 | Low | 83.6 | Confident | 116 Ų | 116 | 46.9 Ų | 46.9 | 75% | 0.753 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -28.5 | -174 | -23.4 | 31.4 | 0 | 0 | 0 | 114.5 | F2681 R2682 | F2681-P2684 HydrophobicContact CZ-CG 4.34Å; R2682-P2684 WeakPolarHBondContact O-CD 3.5Å |
| 2685 | S | 64.6 | Low | 83.6 | Confident | 99 Ų | 99 | 46.9 Ų | 46.9 | 69% | 0.692 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -21.7 | -172.4 | 68.1 | 0 | 0 | 0 | 0 | 116.4 | H2683 | H2683-S2685 PolarHBondContact CE1-OG 3.29Å; H2683-S2685 PolarHBondContact ND1-N 2.99Å; H2683-S2685 PolarHBondContact ND1-OG 3.42Å; H2683-S2685 PolarHBondContact O-N 2.93Å; H2683-S2685 VanDerWaalsContact O-N 3.16Å |
| 2686 | H | 73.3 | Confident | 83.6 | Confident | 87 Ų | 87 | 49 Ų | 49 | 40% | 0.403 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.1 | -0.8 | -178 | 58.4 | 80.8 | 0 | 0 | 0 | 113.4 | H2683 E2688 | H2683-H2686 WeakPolarHBondContact CB-CE1 3.42Å; H2683-H2686 VanDerWaalsContact CB-NE2 3.3Å; H2683-H2686 WeakPolarHBondContact CB-NE2 3.17Å; H2683-H2686 AromaticContact CD2-CD2 3.89Å; H2683-H2686 AromaticContact CD2-NE2 3.24Å; H2683-H2686 PolarHBondContact CD2-NE2 2.98Å; H2683-H2686 AromaticContact CE1-CD2 3.56Å; H2683-H2686 AromaticContact CE1-NE2 3.69Å; H2683-H2686 AromaticContact CG-CD2 3.32Å; H2683-H2686 AromaticContact CG-CE1 3.51Å; H2683-H2686 AromaticContact CG-CG 4Å; H2683-H2686 AromaticContact CG-NE2 2.96Å; H2683-H2686 AromaticContact ND1-CD2 3.08Å; H2683-H2686 PolarHBondContact ND1-CD2 3.42Å; H2683-H2686 AromaticContact ND1-CG 3.83Å; H2683-H2686 AromaticContact ND1-NE2 3.28Å; H2683-H2686 PolarHBondContact ND1-NE2 3.15Å; H2683-H2686 AromaticContact NE2-NE2 3.72Å; H2686-E2688 IonicContact CE1-OE2 3.2Å; H2686-E2688 PolarHBondContact CE1-OE2 3.02Å; H2686-E2688 VanDerWaalsContact ND1-CB 3.27Å; H2686-E2688 WeakPolarHBondContact ND1-CB 3.43Å; H2686-E2688 VanDerWaalsContact ND1-CG 3.28Å; H2686-E2688 WeakPolarHBondContact ND1-CG 3.22Å; H2686-E2688 PolarHBondContact ND1-N 3.35Å; H2686-E2688 IonicContact ND1-OE2 2.7Å; H2686-E2688 PolarHBondContact ND1-OE2 3.09Å; H2686-E2688 PolarHBondContact O-N 3.14Å |
| 2687 | G | 71.2 | Confident | 83.6 | Confident | 27 Ų | 27 | 49.3 Ų | 49.3 | 28% | 0.278 | 26% | 0.257 | S | S | . | . | trans | 69.7 | -4.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | H2683 | H2683-G2687 PolarHBondContact O-N 2.91Å; H2683-G2687 VanDerWaalsContact O-N 3.09Å | ||
| 2688 | E | 76.2 | Confident | 83.6 | Confident | 51 Ų | 51 | 46.6 Ų | 46.6 | 24% | 0.238 | 24% | 0.244 | C | C | . | . | trans | -69.7 | 141.7 | 175.7 | -57.4 | -177.2 | 126.2 | 0 | 0 | 110.5 | H2683 H2686 K2725 A2752 | H2683-E2688 PolarHBondContact N-O 3.17Å; H2686-E2688 IonicContact CE1-OE2 3.2Å; H2686-E2688 PolarHBondContact CE1-OE2 3.02Å; H2686-E2688 VanDerWaalsContact ND1-CB 3.27Å; H2686-E2688 WeakPolarHBondContact ND1-CB 3.43Å; H2686-E2688 VanDerWaalsContact ND1-CG 3.28Å; H2686-E2688 WeakPolarHBondContact ND1-CG 3.22Å; H2686-E2688 PolarHBondContact ND1-N 3.35Å; H2686-E2688 IonicContact ND1-OE2 2.7Å; H2686-E2688 PolarHBondContact ND1-OE2 3.09Å; H2686-E2688 PolarHBondContact O-N 3.14Å; E2688-K2725 IonicContact OE1-NZ 3.54Å; E2688-K2725 PolarHBondContact OE1-NZ 3.23Å; E2688-A2752 HydrophobicContact CG-CB 4.17Å | ||
| 2689 | H | 81.5 | Confident | 83.6 | Confident | 27 Ų | 27 | 48.8 Ų | 48.8 | 13% | 0.125 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 130.3 | 172.6 | -67 | -89.9 | 0 | 0 | 0 | 109.5 | L2680 F2681 L2750 | L2680-H2689 HydrophobicContact CD1-CB 4.19Å; F2681-H2689 CarbonylContact O-C 3.48Å; H2689-L2750 HydrophobicContact CB-CB 4.03Å; H2689-L2750 HydrophobicContact CB-CD1 3.69Å; H2689-L2750 HydrophobicContact CB-CG 3.93Å; H2689-L2750 PolarHBondContact O-N 3.26Å |
| 2690 | K | 86.9 | Confident | 83.7 | Confident | 78 Ų | 78 | 52 Ų | 52 | 34% | 0.339 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 119.8 | 174.9 | -175.6 | -171.6 | -178.3 | -169.9 | 0 | 107.9 | F2681 T2747 F2748 F2749 | F2681-K2690 HydrophobicContact CB-CB 4.43Å; F2681-K2690 HydrophobicContact CD1-CB 4.38Å; F2681-K2690 PolarHBondContact N-O 2.7Å; F2681-K2690 PolarHBondContact O-N 3.11Å; K2690-T2747 HydrophobicContact CD-CG2 4.01Å; K2690-T2747 HydrophobicContact CG-CG2 3.57Å; K2690-F2748 WeakPolarHBondContact CA-O 3.01Å; K2690-F2749 HydrophobicContact CG-CE1 4.3Å |
| 2691 | V | 88.5 | Confident | 83.9 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 111.5 | 176.7 | -173.7 | 0 | 0 | 0 | 0 | 107.8 | V2678 L2680 T2747 F2748 L2750 L2761 L2784 | V2678-V2691 HydrophobicContact CG1-CG1 3.79Å; L2680-V2691 HydrophobicContact CD1-CG2 3.76Å; V2691-T2747 CarbonylContact O-C 3.47Å; V2691-T2747 WeakPolarHBondContact O-CA 3.47Å; V2691-F2748 HydrophobicContact CB-CB 4.28Å; V2691-F2748 PolarHBondContact N-O 3.42Å; V2691-F2748 PolarHBondContact O-N 2.5Å; V2691-L2750 HydrophobicContact CG2-CD1 4.12Å; V2691-L2750 HydrophobicContact CG2-CD2 4.07Å; V2691-L2750 HydrophobicContact CG2-CG 4.05Å; V2691-L2761 HydrophobicContact CG1-CD1 4.13Å; V2691-L2784 HydrophobicContact CG1-CD1 4.44Å; V2691-L2784 HydrophobicContact CG1-CD2 4.1Å; V2691-L2784 HydrophobicContact CG2-CD1 3.66Å |
| 2692 | T | 91.4 | Very high | 84.2 | Confident | 22 Ų | 22 | 53.2 Ų | 53.2 | 14% | 0.135 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 115.7 | 178.8 | -51.8 | 0 | 0 | 0 | 0 | 108.5 | V2678 D2679 T2745 F2746 | V2678-T2692 CarbonylContact C-O 3.51Å; V2678-T2692 WeakPolarHBondContact CA-O 3.39Å; D2679-T2692 PolarHBondContact N-O 2.84Å; D2679-T2692 PolarHBondContact O-N 2.9Å; T2692-T2745 HydrophobicContact CG2-CG2 3.36Å; T2692-F2746 CarbonylContact C-O 3.53Å; T2692-F2746 WeakPolarHBondContact CA-O 3.39Å |
| 2693 | I | 92.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 123.6 | 178 | 178 | 162.9 | 0 | 0 | 0 | 109.9 | I2676 H2677 V2678 V2695 V2715 T2745 F2746 F2748 L2761 M2763 | I2676-I2693 HydrophobicContact CB-CD1 4.39Å; I2676-I2693 HydrophobicContact CB-CG1 4.49Å; I2676-I2693 HydrophobicContact CD1-CD1 4.29Å; I2676-I2693 HydrophobicContact CG2-CD1 4.11Å; I2676-I2693 HydrophobicContact CG2-CG1 4.41Å; H2677-I2693 CarbonylContact O-C 3.59Å; H2677-I2693 WeakPolarHBondContact O-CA 3.35Å; V2678-I2693 HydrophobicContact CG2-CB 4.24Å; V2678-I2693 HydrophobicContact CG2-CD1 3.98Å; V2678-I2693 HydrophobicContact CG2-CG1 3.95Å; I2693-V2695 HydrophobicContact CG1-CG2 4.37Å; I2693-V2715 HydrophobicContact CD1-CG1 4.11Å; I2693-V2715 HydrophobicContact CG2-CG1 4.27Å; I2693-T2745 CarbonylContact O-C 3.52Å; I2693-T2745 VanDerWaalsContact O-CA 3.31Å; I2693-T2745 WeakPolarHBondContact O-CA 3.39Å; I2693-F2746 HydrophobicContact CG2-CB 3.9Å; I2693-F2746 HydrophobicContact CG2-CD2 4.31Å; I2693-F2746 PolarHBondContact N-O 3.3Å; I2693-F2746 PolarHBondContact O-N 3.22Å; I2693-F2748 HydrophobicContact CG2-CD2 4.35Å; I2693-F2748 HydrophobicContact CG2-CE2 3.78Å; I2693-L2761 HydrophobicContact CD1-CD1 4.2Å; I2693-M2763 HydrophobicContact CD1-SD 3.83Å |
| 2694 | T | 94.4 | Very high | 85 | Confident | 30 Ų | 30 | 46.7 Ų | 46.7 | 18% | 0.184 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 112 | 170.8 | -57 | 0 | 0 | 0 | 0 | 108.7 | I2676 H2677 I2696 E2744 T2745 | I2676-T2694 CarbonylContact C-O 3.03Å; I2676-T2694 VanDerWaalsContact CA-O 3.32Å; I2676-T2694 WeakPolarHBondContact CA-O 3.44Å; H2677-T2694 PolarHBondContact N-O 3.41Å; H2677-T2694 PolarHBondContact O-N 3.41Å; T2694-I2696 HydrophobicContact CG2-CG1 4.3Å; T2694-I2696 PolarHBondContact O-N 3.14Å; T2694-E2744 CarbonylContact C-O 3.55Å; T2694-E2744 WeakPolarHBondContact CA-O 3.37Å; T2694-T2745 WeakPolarHBondContact CG2-OG1 3.5Å; T2694-T2745 WeakPolarHBondContact OG1-CG2 3.48Å; T2694-T2745 PolarHBondContact OG1-OG1 3.46Å |
| 2695 | V | 92.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 104.4 | 173 | -176 | 0 | 0 | 0 | 0 | 107.9 | L2674 I2676 I2693 I2713 V2715 T2731 F2742 N2743 E2744 F2746 | L2674-V2695 HydrophobicContact CD1-CG1 3.97Å; I2676-V2695 HydrophobicContact CG2-CG2 4.34Å; I2693-V2695 HydrophobicContact CG1-CG2 4.37Å; V2695-I2713 HydrophobicContact CG1-CB 4.17Å; V2695-I2713 HydrophobicContact CG1-CG1 4.01Å; V2695-I2713 HydrophobicContact CG1-CG2 4.32Å; V2695-V2715 HydrophobicContact CG2-CG2 3.99Å; V2695-T2731 HydrophobicContact CB-CG2 3.95Å; V2695-T2731 HydrophobicContact CG1-CG2 3.98Å; V2695-T2731 HydrophobicContact CG2-CG2 4.21Å; V2695-F2742 HydrophobicContact CG1-CB 4.34Å; V2695-F2742 HydrophobicContact CG1-CD2 3.97Å; V2695-F2742 HydrophobicContact CG1-CG 4.42Å; V2695-N2743 VanDerWaalsContact O-CA 3.32Å; V2695-N2743 WeakPolarHBondContact O-CA 3.29Å; V2695-N2743 PolarHBondContact O-N 2.98Å; V2695-E2744 PolarHBondContact N-O 3.42Å; V2695-E2744 PolarHBondContact O-N 3.3Å; V2695-E2744 VanDerWaalsContact O-N 3.11Å; V2695-F2746 HydrophobicContact CG2-CD2 4.3Å; V2695-F2746 HydrophobicContact CG2-CE2 4.02Å |
| 2696 | I | 93.1 | Very high | 86.1 | Confident | 62 Ų | 62 | 43.5 Ų | 43.5 | 32% | 0.318 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | -61.9 | -173.5 | -57.7 | 171.6 | 0 | 0 | 0 | 109.2 | S2675 H2677 T2694 F2742 N2743 | S2675-I2696 WeakPolarHBondContact O-CB 3.23Å; S2675-I2696 PolarHBondContact O-N 3.13Å; H2677-I2696 HydrophobicContact CB-CD1 4.16Å; T2694-I2696 HydrophobicContact CG2-CG1 4.3Å; T2694-I2696 PolarHBondContact O-N 3.14Å; I2696-F2742 PolarHBondContact O-N 3.32Å; I2696-N2743 PolarHBondContact O-N 3.11Å; I2696-N2743 VanDerWaalsContact O-N 3.08Å; I2696-N2743 PolarHBondContact O-OD1 2.86Å |
| 2697 | A | 93.5 | Very high | 86.3 | Confident | 8 Ų | 8 | 41.7 Ų | 41.7 | 7% | 0.066 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 159 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S2675 P2740 V2741 | S2675-A2697 WeakPolarHBondContact CB-O 3.32Å; S2675-A2697 PolarHBondContact N-O 3.44Å; S2675-A2697 PolarHBondContact O-N 3.49Å; A2697-P2740 CarbonylContact C-O 3.51Å; A2697-P2740 VanDerWaalsContact CA-O 3.24Å; A2697-P2740 WeakPolarHBondContact CA-O 3.38Å; A2697-V2741 HydrophobicContact CB-CB 4.44Å; A2697-V2741 HydrophobicContact CB-CG2 4.11Å |
| 2698 | A | 93.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 145.6 | 158.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | E2673 L2674 L2701 I2713 S2739 P2740 F2742 | E2673-A2698 CarbonylContact O-C 3.39Å; E2673-A2698 WeakPolarHBondContact O-CA 3.43Å; L2674-A2698 HydrophobicContact CD1-CB 4.12Å; A2698-L2701 HydrophobicContact CB-CD1 4.04Å; A2698-L2701 HydrophobicContact CB-CD2 4Å; A2698-L2701 HydrophobicContact CB-CG 4.08Å; A2698-I2713 HydrophobicContact CB-CD1 4.21Å; A2698-S2739 CarbonylContact O-C 3.56Å; A2698-S2739 WeakPolarHBondContact O-CA 3.47Å; A2698-P2740 HydrophobicContact CB-CG 4.01Å; A2698-P2740 PolarHBondContact N-O 2.59Å; A2698-P2740 VanDerWaalsContact O-CD 3.26Å; A2698-P2740 WeakPolarHBondContact O-CD 3.13Å; A2698-P2740 VanDerWaalsContact O-N 3.16Å; A2698-F2742 HydrophobicContact CB-CE2 4.19Å |
| 2699 | N | 91.4 | Very high | 87.5 | Confident | 47 Ų | 47 | 42.4 Ų | 42.4 | 25% | 0.251 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 141.5 | -176.3 | -59.5 | -39.5 | 0 | 0 | 0 | 110.2 | G2672 E2673 S2675 L2701 | G2672-N2699 WeakPolarHBondContact CA-O 3.42Å; E2673-N2699 HydrophobicContact CB-CB 4.31Å; E2673-N2699 PolarHBondContact N-O 2.82Å; E2673-N2699 PolarHBondContact O-N 3.32Å; S2675-N2699 PolarHBondContact OG-ND2 3.39Å; N2699-L2701 VanDerWaalsContact C-N 3.29Å; N2699-L2701 PolarHBondContact O-N 2.92Å |
| 2700 | N | 88.4 | Confident | 88 | Confident | 108 Ų | 108 | 43.7 Ų | 43.7 | 58% | 0.578 | 25% | 0.252 | S | S | * | . | trans | 52.5 | 41.7 | 170.7 | -62.3 | -19.5 | 0 | 0 | 0 | 114.1 | G2672 K2702 W2738 S2739 | G2672-N2700 WeakPolarHBondContact CA-O 3.48Å; N2700-K2702 PolarHBondContact O-N 2.89Å; N2700-W2738 PolarHBondContact N-O 2.94Å; N2700-S2739 PolarHBondContact N-OG 3.43Å | ||
| 2701 | L | 90.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | trans | -61.3 | 102.7 | 177.9 | -67.1 | 179.7 | 0 | 0 | 0 | 110 | V2671 A2698 N2699 W2703 F2709 P2711 W2738 P2740 A2765 I2777 L2820 | V2671-L2701 CarbonylContact O-C 3.19Å; A2698-L2701 HydrophobicContact CB-CD1 4.04Å; A2698-L2701 HydrophobicContact CB-CD2 4Å; A2698-L2701 HydrophobicContact CB-CG 4.08Å; N2699-L2701 VanDerWaalsContact C-N 3.29Å; N2699-L2701 PolarHBondContact O-N 2.92Å; L2701-W2703 PolarHBondContact O-N 2.94Å; L2701-F2709 HydrophobicContact CB-CZ 4.24Å; L2701-F2709 HydrophobicContact CD1-CE1 4.43Å; L2701-F2709 HydrophobicContact CD1-CZ 3.96Å; L2701-P2711 HydrophobicContact CD1-CB 3.69Å; L2701-P2711 HydrophobicContact CD1-CG 4.28Å; L2701-W2738 WeakPolarHBondContact CB-O 3.27Å; L2701-W2738 WeakPolarHBondContact CG-O 3.38Å; L2701-W2738 PolarHBondContact N-O 3.5Å; L2701-P2740 HydrophobicContact CD1-CG 4.03Å; L2701-A2765 HydrophobicContact CD2-CB 4.2Å; L2701-I2777 HydrophobicContact CB-CG2 4.35Å; L2701-I2777 HydrophobicContact CD1-CD1 4.38Å; L2701-I2777 HydrophobicContact CD2-CG2 4.31Å; L2701-L2820 HydrophobicContact CD2-CD1 3.56Å | ||
| 2702 | K | 88.2 | Confident | 88.6 | Confident | 122 Ų | 122 | 40.8 Ų | 40.8 | 53% | 0.53 | 24% | 0.239 | S | C | . | . | trans | -72.1 | 76.7 | -179.2 | -62.1 | -177.1 | -172.1 | 163 | 0 | 109.8 | S2670 V2671 N2700 R2857 | S2670-K2702 WeakPolarHBondContact O-CE 3.27Å; S2670-K2702 PolarHBondContact O-NZ 2.75Å; V2671-K2702 PolarHBondContact O-N 3.07Å; N2700-K2702 PolarHBondContact O-N 2.89Å; K2702-R2857 VanDerWaalsContact O-CZ 3.23Å; K2702-R2857 PolarHBondContact O-NH1 3.48Å; K2702-R2857 PolarHBondContact O-NH2 3.36Å | ||
| 2703 | W | 87 | Confident | 88.7 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 3% | 0.027 | 23% | 0.233 | C | C | . | . | trans | -131.7 | 130.4 | -179.3 | -163.3 | -111.3 | 0 | 0 | 0 | 110 | L2701 F2709 W2738 D2767 R2775 L2776 I2777 R2857 | L2701-W2703 PolarHBondContact O-N 2.94Å; W2703-F2709 HydrophobicContact CB-CE2 3.94Å; W2703-F2709 HydrophobicContact CB-CZ 4.1Å; W2703-F2709 AromaticContact CD1-CD2 3.47Å; W2703-F2709 VanDerWaalsContact CD1-CD2 3.47Å; W2703-F2709 AromaticContact CD1-CE2 3.33Å; W2703-F2709 HydrophobicContact CG-CD2 4.36Å; W2703-F2709 AromaticContact CG-CE2 3.86Å; W2703-F2709 HydrophobicContact CG-CE2 3.86Å; W2703-F2709 HydrophobicContact CG-CZ 4.49Å; W2703-W2738 PolarHBondContact O-NE1 3.25Å; W2703-D2767 PolarHBondContact NE1-OD2 3.46Å; W2703-R2775 HydrophobicContact CH2-CB 4.14Å; W2703-R2775 HydrophobicContact CZ2-CB 3.61Å; W2703-R2775 HydrophobicContact CZ2-CG 4.45Å; W2703-L2776 VanDerWaalsContact CH2-O 3.25Å; W2703-L2776 WeakPolarHBondContact CH2-O 3.42Å; W2703-L2776 VanDerWaalsContact CZ3-O 3.24Å; W2703-L2776 WeakPolarHBondContact CZ3-O 3.45Å; W2703-I2777 HydrophobicContact CB-CG1 4.43Å; W2703-I2777 HydrophobicContact CB-CG2 3.94Å; W2703-I2777 HydrophobicContact CD2-CB 4.31Å; W2703-I2777 HydrophobicContact CD2-CG1 3.83Å; W2703-I2777 HydrophobicContact CD2-CG2 4.23Å; W2703-I2777 HydrophobicContact CE3-CB 4.12Å; W2703-I2777 HydrophobicContact CE3-CG1 4.12Å; W2703-I2777 HydrophobicContact CE3-CG2 3.99Å; W2703-I2777 HydrophobicContact CG-CG1 3.97Å; W2703-I2777 HydrophobicContact CG-CG2 4.25Å; W2703-R2857 VanDerWaalsContact CE3-CZ 3.45Å; W2703-R2857 HydrophobicContact CZ3-CG 3.78Å | ||
| 2704 | T | 80.7 | Confident | 88.8 | Confident | 88 Ų | 88 | 40.5 Ų | 40.5 | 54% | 0.54 | 24% | 0.236 | S | C | . | . | trans | -111.8 | 142.6 | 165.9 | 49.3 | 0 | 0 | 0 | 0 | 106.3 | C2860 | T2704-C2860 VanDerWaalsContact C-SG 3.55Å; T2704-C2860 PolarHBondContact O-SG 3.07Å; T2704-C2860 PolarHBondContact OG1-SG 3.18Å | ||
| 2705 | T | 78.4 | Confident | 88.8 | Confident | 36 Ų | 36 | 39.1 Ų | 39.1 | 22% | 0.221 | 23% | 0.228 | C | C | . | . | trans | -145.3 | 146.3 | 177.4 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | G2707 F2709 D2767 | T2705-G2707 WeakPolarHBondContact CG2-O 3.29Å; T2705-G2707 PolarHBondContact O-N 3.19Å; T2705-F2709 HydrophobicContact CG2-CB 3.7Å; T2705-F2709 HydrophobicContact CG2-CD2 4.2Å; T2705-F2709 HydrophobicContact CG2-CG 4.35Å; T2705-D2767 PolarHBondContact OG1-OD2 3.04Å | ||
| 2706 | S | 75.9 | Confident | 88.8 | Confident | 113 Ų | 113 | 39.1 Ų | 39.1 | 79% | 0.79 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -76.8 | -11.6 | 177.9 | 51.3 | 0 | 0 | 0 | 0 | 113 | ||
| 2707 | G | 77.6 | Confident | 88.8 | Confident | 48 Ų | 48 | 36.2 Ų | 36.2 | 50% | 0.495 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -108 | -168 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T2705 F2709 | T2705-G2707 WeakPolarHBondContact CG2-O 3.29Å; T2705-G2707 PolarHBondContact O-N 3.19Å; G2707-F2709 PolarHBondContact O-N 2.91Å |
| 2708 | T | 83 | Confident | 88.6 | Confident | 94 Ų | 94 | 36.1 Ų | 36.1 | 58% | 0.577 | 21% | 0.211 | S | C | * | . | trans | -69.2 | 118.7 | 170.3 | 51.5 | 0 | 0 | 0 | 0 | 109.8 | K2710 | T2708-K2710 PolarHBondContact O-N 2.82Å; T2708-K2710 WeakPolarHBondContact OG1-CE 3.41Å | ||
| 2709 | F | 89.3 | Confident | 88.3 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -67.8 | 127 | 175 | -178.3 | -133.8 | 0 | 0 | 0 | 110.7 | L2701 W2703 T2705 G2707 P2711 N2736 V2737 W2738 D2767 I2777 | L2701-F2709 HydrophobicContact CB-CZ 4.24Å; L2701-F2709 HydrophobicContact CD1-CE1 4.43Å; L2701-F2709 HydrophobicContact CD1-CZ 3.96Å; W2703-F2709 HydrophobicContact CB-CE2 3.94Å; W2703-F2709 HydrophobicContact CB-CZ 4.1Å; W2703-F2709 AromaticContact CD1-CD2 3.47Å; W2703-F2709 VanDerWaalsContact CD1-CD2 3.47Å; W2703-F2709 AromaticContact CD1-CE2 3.33Å; W2703-F2709 HydrophobicContact CG-CD2 4.36Å; W2703-F2709 AromaticContact CG-CE2 3.86Å; W2703-F2709 HydrophobicContact CG-CE2 3.86Å; W2703-F2709 HydrophobicContact CG-CZ 4.49Å; T2705-F2709 HydrophobicContact CG2-CB 3.7Å; T2705-F2709 HydrophobicContact CG2-CD2 4.2Å; T2705-F2709 HydrophobicContact CG2-CG 4.35Å; G2707-F2709 PolarHBondContact O-N 2.91Å; F2709-P2711 HydrophobicContact CD1-CG 4.09Å; F2709-P2711 HydrophobicContact CE1-CB 4.06Å; F2709-P2711 HydrophobicContact CE1-CG 3.53Å; F2709-P2711 HydrophobicContact CE2-CB 4.1Å; F2709-P2711 HydrophobicContact CE2-CG 4.28Å; F2709-P2711 HydrophobicContact CZ-CB 3.63Å; F2709-P2711 HydrophobicContact CZ-CG 3.66Å; F2709-N2736 WeakPolarHBondContact O-CA 3.12Å; F2709-N2736 PolarHBondContact O-N 3.21Å; F2709-V2737 WeakPolarHBondContact CE1-O 3.44Å; F2709-W2738 HydrophobicContact CB-CH2 4.21Å; F2709-W2738 HydrophobicContact CB-CZ2 4.34Å; F2709-W2738 AromaticContact CD1-CD2 3.88Å; F2709-W2738 HydrophobicContact CD1-CD2 3.88Å; F2709-W2738 AromaticContact CD1-CE2 3.9Å; F2709-W2738 HydrophobicContact CD1-CE3 4.09Å; F2709-W2738 HydrophobicContact CD1-CG 4.4Å; F2709-W2738 HydrophobicContact CD1-CH2 4.32Å; F2709-W2738 HydrophobicContact CD1-CZ2 4.13Å; F2709-W2738 HydrophobicContact CD1-CZ3 4.31Å; F2709-W2738 HydrophobicContact CE1-CD2 4.14Å; F2709-W2738 HydrophobicContact CE1-CG 4.18Å; F2709-W2738 HydrophobicContact CG-CZ2 4.43Å; F2709-D2767 HydrophobicContact CD2-CB 4.23Å; F2709-D2767 WeakPolarHBondContact CD2-OD1 3.5Å; F2709-D2767 HydrophobicContact CE2-CB 4.14Å; F2709-I2777 HydrophobicContact CE2-CD1 3.52Å; F2709-I2777 HydrophobicContact CE2-CG1 4.27Å; F2709-I2777 HydrophobicContact CZ-CD1 3.77Å | ||
| 2710 | K | 91.3 | Very high | 87.9 | Confident | 53 Ų | 53 | 34.5 Ų | 34.5 | 23% | 0.23 | 20% | 0.203 | C | C | . | . | trans | -134.9 | 69 | -177.1 | -66 | -176.7 | 180 | 172.4 | 0 | 111.3 | T2708 K2734 N2735 D2767 Y2768 | T2708-K2710 PolarHBondContact O-N 2.82Å; T2708-K2710 WeakPolarHBondContact OG1-CE 3.41Å; K2710-K2734 WeakPolarHBondContact CA-O 3.27Å; K2710-N2735 WeakPolarHBondContact CD-OD1 3.23Å; K2710-N2735 VanDerWaalsContact CE-OD1 3.24Å; K2710-N2735 WeakPolarHBondContact CE-OD1 3.1Å; K2710-N2735 WeakPolarHBondContact CG-OD1 3.36Å; K2710-D2767 PolarHBondContact N-OD1 2.87Å; K2710-Y2768 HydrophobicContact CD-CD1 4.05Å; K2710-Y2768 WeakPolarHBondContact O-CB 3.47Å; K2710-Y2768 PolarHBondContact O-N 3.16Å | ||
| 2711 | P | 92.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 137.5 | -178.1 | 24.6 | -36.5 | 0 | 0 | 0 | 112.7 | L2701 F2709 S2733 K2734 V2737 P2740 K2766 I2777 | L2701-P2711 HydrophobicContact CD1-CB 3.69Å; L2701-P2711 HydrophobicContact CD1-CG 4.28Å; F2709-P2711 HydrophobicContact CD1-CG 4.09Å; F2709-P2711 HydrophobicContact CE1-CB 4.06Å; F2709-P2711 HydrophobicContact CE1-CG 3.53Å; F2709-P2711 HydrophobicContact CE2-CB 4.1Å; F2709-P2711 HydrophobicContact CE2-CG 4.28Å; F2709-P2711 HydrophobicContact CZ-CB 3.63Å; F2709-P2711 HydrophobicContact CZ-CG 3.66Å; P2711-S2733 WeakPolarHBondContact O-CA 3.23Å; P2711-K2734 WeakPolarHBondContact CD-O 3.48Å; P2711-K2734 PolarHBondContact O-N 3.27Å; P2711-V2737 VanDerWaalsContact CG-O 3.3Å; P2711-V2737 WeakPolarHBondContact CG-O 3.49Å; P2711-P2740 HydrophobicContact CB-CG 4.05Å; P2711-P2740 HydrophobicContact CG-CB 4.12Å; P2711-P2740 HydrophobicContact CG-CG 3.76Å; P2711-K2766 CarbonylContact C-O 3.39Å; P2711-K2766 VanDerWaalsContact CA-O 3.3Å; P2711-K2766 WeakPolarHBondContact CA-O 3.49Å; P2711-I2777 HydrophobicContact CB-CD1 4.2Å |
| 2712 | F | 94.7 | Very high | 87.1 | Confident | 17 Ų | 17 | 33.9 Ų | 33.9 | 8% | 0.075 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 161.6 | 165.6 | 71.5 | -80.9 | 0 | 0 | 0 | 109.7 | E2714 A2730 K2766 D2774 | F2712-E2714 HydrophobicContact CE2-CB 4.3Å; F2712-A2730 HydrophobicContact CD2-CB 4.15Å; F2712-A2730 HydrophobicContact CE2-CB 4.36Å; F2712-K2766 HydrophobicContact CD1-CB 4.1Å; F2712-K2766 VanDerWaalsContact CD1-O 3.23Å; F2712-K2766 WeakPolarHBondContact CD1-O 3.39Å; F2712-K2766 HydrophobicContact CE1-CB 3.46Å; F2712-K2766 VanDerWaalsContact CE1-CB 3.46Å; F2712-K2766 HydrophobicContact CE2-CB 4.08Å; F2712-K2766 HydrophobicContact CZ-CB 3.47Å; F2712-K2766 VanDerWaalsContact CZ-CB 3.47Å; F2712-K2766 HydrophobicContact CZ-CD 4.11Å; F2712-K2766 HydrophobicContact CZ-CG 4.36Å; F2712-K2766 PolarHBondContact N-O 2.99Å; F2712-K2766 PolarHBondContact O-N 3.39Å; F2712-D2774 HydrophobicContact CE1-CB 4.08Å; F2712-D2774 HydrophobicContact CZ-CB 4.04Å; F2712-D2774 WeakPolarHBondContact CZ-OD2 3.37Å |
| 2713 | I | 95.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 119 | -179.3 | -51.3 | -59.6 | 0 | 0 | 0 | 108.4 | L2674 V2695 A2698 V2715 A2730 T2731 F2742 C2764 A2765 | L2674-I2713 HydrophobicContact CD1-CD1 3.71Å; L2674-I2713 HydrophobicContact CD1-CG1 3.73Å; L2674-I2713 HydrophobicContact CD1-CG2 4.11Å; L2674-I2713 HydrophobicContact CD2-CG2 3.9Å; V2695-I2713 HydrophobicContact CG1-CB 4.17Å; V2695-I2713 HydrophobicContact CG1-CG1 4.01Å; V2695-I2713 HydrophobicContact CG1-CG2 4.32Å; A2698-I2713 HydrophobicContact CB-CD1 4.21Å; I2713-V2715 HydrophobicContact CG2-CG2 4.09Å; I2713-A2730 CarbonylContact O-C 3.59Å; I2713-A2730 VanDerWaalsContact O-CA 3.24Å; I2713-A2730 WeakPolarHBondContact O-CA 3.49Å; I2713-T2731 HydrophobicContact CB-CG2 4.08Å; I2713-T2731 PolarHBondContact N-OG1 2.92Å; I2713-T2731 PolarHBondContact O-N 3.11Å; I2713-F2742 HydrophobicContact CD1-CE2 4.05Å; I2713-F2742 HydrophobicContact CD1-CZ 4.36Å; I2713-F2742 HydrophobicContact CG1-CD2 4.01Å; I2713-F2742 HydrophobicContact CG1-CE2 3.45Å; I2713-F2742 VanDerWaalsContact CG1-CE2 3.45Å; I2713-F2742 HydrophobicContact CG1-CZ 3.84Å; I2713-C2764 CarbonylContact C-O 3.58Å; I2713-C2764 WeakPolarHBondContact CA-O 3.22Å; I2713-A2765 HydrophobicContact CD1-CB 3.62Å |
| 2714 | E | 94.4 | Very high | 86.1 | Confident | 17 Ų | 17 | 40.8 Ų | 40.8 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 126.3 | 170.7 | -178.7 | -179.8 | 59.2 | 0 | 0 | 108.6 | F2712 V2716 K2728 F2729 M2763 C2764 K2766 | F2712-E2714 HydrophobicContact CE2-CB 4.3Å; E2714-V2716 HydrophobicContact CG-CG2 4.11Å; E2714-K2728 WeakPolarHBondContact OE2-CE 3.48Å; E2714-K2728 IonicContact OE2-NZ 3.61Å; E2714-K2728 PolarHBondContact OE2-NZ 3.17Å; E2714-F2729 CarbonylContact C-O 3.53Å; E2714-F2729 WeakPolarHBondContact CA-O 3.48Å; E2714-M2763 CarbonylContact O-C 3.42Å; E2714-M2763 WeakPolarHBondContact O-CA 3.47Å; E2714-C2764 HydrophobicContact CB-CB 4.31Å; E2714-C2764 PolarHBondContact N-O 2.99Å; E2714-C2764 PolarHBondContact O-N 2.92Å; E2714-K2766 WeakPolarHBondContact OE1-CE 3.46Å; E2714-K2766 IonicContact OE1-NZ 2.87Å; E2714-K2766 PolarHBondContact OE1-NZ 3.44Å |
| 2715 | V | 94.2 | Very high | 86 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 122.3 | 179 | -173.8 | 0 | 0 | 0 | 0 | 108.8 | I2693 V2695 I2713 K2728 F2729 F2746 F2748 L2761 M2763 | I2693-V2715 HydrophobicContact CD1-CG1 4.11Å; I2693-V2715 HydrophobicContact CG2-CG1 4.27Å; V2695-V2715 HydrophobicContact CG2-CG2 3.99Å; I2713-V2715 HydrophobicContact CG2-CG2 4.09Å; V2715-K2728 WeakPolarHBondContact O-CA 3.43Å; V2715-F2729 PolarHBondContact N-O 3.15Å; V2715-F2729 PolarHBondContact O-N 3.22Å; V2715-F2746 HydrophobicContact CG2-CD2 4.33Å; V2715-F2746 HydrophobicContact CG2-CE2 4.39Å; V2715-F2748 HydrophobicContact CB-CZ 4.43Å; V2715-F2748 HydrophobicContact CG1-CE2 3.93Å; V2715-F2748 HydrophobicContact CG1-CZ 3.88Å; V2715-L2761 HydrophobicContact CG1-CD2 4.05Å; V2715-M2763 HydrophobicContact CG1-CG 4.05Å; V2715-M2763 HydrophobicContact CG2-CG 4.18Å |
| 2716 | V | 92.9 | Very high | 86.4 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 130.5 | -178.5 | -172.4 | 0 | 0 | 0 | 0 | 109.3 | E2714 F2718 H2727 K2728 H2762 L2852 | E2714-V2716 HydrophobicContact CG-CG2 4.11Å; V2716-F2718 HydrophobicContact CG1-CD1 4.48Å; V2716-F2718 HydrophobicContact CG1-CE1 4.1Å; V2716-F2718 HydrophobicContact CG1-CE2 4.17Å; V2716-F2718 HydrophobicContact CG1-CZ 3.97Å; V2716-H2727 CarbonylContact C-O 3.53Å; V2716-H2727 VanDerWaalsContact CA-O 3.28Å; V2716-H2727 WeakPolarHBondContact CA-O 3.46Å; V2716-K2728 HydrophobicContact CG2-CB 4.4Å; V2716-K2728 HydrophobicContact CG2-CD 4.34Å; V2716-K2728 HydrophobicContact CG2-CG 4.08Å; V2716-H2762 HydrophobicContact CB-CB 4.4Å; V2716-H2762 PolarHBondContact N-O 3.35Å; V2716-H2762 PolarHBondContact O-N 2.82Å; V2716-L2852 HydrophobicContact CB-CD1 4.25Å; V2716-L2852 HydrophobicContact CG1-CD1 4.01Å; V2716-L2852 HydrophobicContact CG2-CD1 3.9Å |
| 2717 | L | 92.1 | Very high | 86.9 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 128.1 | 171.9 | 179.7 | 72.1 | 0 | 0 | 0 | 109 | L2722 H2727 F2748 L2750 Y2759 L2761 L2784 | L2717-L2722 HydrophobicContact CD2-CD1 4.37Å; L2717-L2722 HydrophobicContact CD2-CD2 3.96Å; L2717-L2722 HydrophobicContact CG-CD1 4.17Å; L2717-L2722 VanDerWaalsContact O-CD1 3.26Å; L2717-L2722 WeakPolarHBondContact O-CD1 3.41Å; L2717-H2727 HydrophobicContact CB-CB 4.31Å; L2717-H2727 PolarHBondContact N-O 3.04Å; L2717-F2748 HydrophobicContact CB-CD1 3.72Å; L2717-F2748 HydrophobicContact CB-CE1 3.85Å; L2717-F2748 HydrophobicContact CB-CG 4.07Å; L2717-F2748 HydrophobicContact CB-CZ 4.31Å; L2717-F2748 HydrophobicContact CD2-CB 3.79Å; L2717-F2748 HydrophobicContact CD2-CD1 4.22Å; L2717-F2748 HydrophobicContact CD2-CG 4.11Å; L2717-L2750 HydrophobicContact CD1-CD2 4.37Å; L2717-L2750 HydrophobicContact CD2-CD2 3.46Å; L2717-L2750 VanDerWaalsContact CD2-CD2 3.46Å; L2717-L2750 HydrophobicContact CG-CD2 4.48Å; L2717-Y2759 HydrophobicContact CD1-CD1 4.28Å; L2717-Y2759 HydrophobicContact CD2-CD1 4.3Å; L2717-Y2759 HydrophobicContact CG-CD1 4.24Å; L2717-L2761 HydrophobicContact CB-CD2 4.31Å; L2717-L2761 HydrophobicContact CD1-CD2 3.92Å; L2717-L2761 HydrophobicContact CD1-CG 4.35Å; L2717-L2784 HydrophobicContact CD1-CD1 4.07Å |
| 2718 | F | 90.1 | Very high | 87.6 | Confident | 5 Ų | 5 | 41.8 Ų | 41.8 | 2% | 0.022 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 146.1 | 171.1 | -73 | -57.2 | 0 | 0 | 0 | 111.4 | V2716 Y2759 E2760 H2762 F2849 L2852 | V2716-F2718 HydrophobicContact CG1-CD1 4.48Å; V2716-F2718 HydrophobicContact CG1-CE1 4.1Å; V2716-F2718 HydrophobicContact CG1-CE2 4.17Å; V2716-F2718 HydrophobicContact CG1-CZ 3.97Å; F2718-Y2759 CarbonylContact O-C 3.5Å; F2718-Y2759 WeakPolarHBondContact O-CA 3.42Å; F2718-Y2759 WeakPolarHBondContact O-CB 3.27Å; F2718-Y2759 WeakPolarHBondContact O-CD1 3.46Å; F2718-E2760 HydrophobicContact CB-CG 3.95Å; F2718-E2760 PolarHBondContact N-O 3.31Å; F2718-E2760 PolarHBondContact O-N 3.02Å; F2718-H2762 HydrophobicContact CD2-CB 3.72Å; F2718-H2762 HydrophobicContact CE2-CB 3.73Å; F2718-H2762 AromaticContact CE2-CG 3.92Å; F2718-F2849 HydrophobicContact CB-CD2 4.36Å; F2718-F2849 HydrophobicContact CB-CE2 4.19Å; F2718-F2849 AromaticContact CD1-CD2 3.53Å; F2718-F2849 HydrophobicContact CD1-CD2 3.53Å; F2718-F2849 HydrophobicContact CD1-CE2 4.19Å; F2718-F2849 HydrophobicContact CD2-CD2 4.38Å; F2718-F2849 HydrophobicContact CD2-CE2 4.48Å; F2718-F2849 HydrophobicContact CE1-CB 4.1Å; F2718-F2849 AromaticContact CE1-CD2 3.72Å; F2718-F2849 HydrophobicContact CE1-CD2 3.72Å; F2718-F2849 HydrophobicContact CE1-CG 4.36Å; F2718-F2849 AromaticContact CG-CD2 3.86Å; F2718-F2849 HydrophobicContact CG-CD2 3.86Å; F2718-F2849 HydrophobicContact CG-CE2 4.06Å; F2718-F2849 HydrophobicContact CZ-CD2 4.2Å; F2718-L2852 HydrophobicContact CE1-CD1 4.42Å; F2718-L2852 HydrophobicContact CE2-CB 4.07Å; F2718-L2852 HydrophobicContact CE2-CD1 4.02Å; F2718-L2852 HydrophobicContact CZ-CB 3.82Å; F2718-L2852 HydrophobicContact CZ-CD1 3.45Å; F2718-L2852 VanDerWaalsContact CZ-CD1 3.45Å; F2718-L2852 HydrophobicContact CZ-CG 4.23Å |
| 2719 | G | 86 | Confident | 88.1 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 156 | -178.1 | 178 | 0 | 0 | 0 | 0 | 0 | 110.5 | L2722 S2758 Y2759 | G2719-L2722 WeakPolarHBondContact O-CD1 3.36Å; G2719-S2758 WeakPolarHBondContact CA-O 3.35Å; G2719-Y2759 VanDerWaalsContact CA-CD1 3.48Å |
| 2720 | P | 82.7 | Confident | 88.2 | Confident | 11 Ų | 11 | 41.5 Ų | 41.5 | 7% | 0.071 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -70.3 | 154.8 | -176.3 | 29.6 | -34.9 | 0 | 0 | 0 | 112 | D2649 L2722 S2758 Y2759 | D2649-P2720 HydrophobicContact CB-CB 4.2Å; P2720-L2722 PolarHBondContact O-N 3.3Å; P2720-S2758 VanDerWaalsContact CD-O 3.27Å; P2720-S2758 WeakPolarHBondContact CD-O 3.2Å; P2720-Y2759 HydrophobicContact CG-CE2 4.47Å; P2720-Y2759 WeakPolarHBondContact O-CE1 3.22Å; P2720-Y2759 PolarHBondContact O-OH 3.37Å |
| 2721 | L | 81.6 | Confident | 88.4 | Confident | 91 Ų | 91 | 39.4 Ų | 39.4 | 48% | 0.476 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 62 | 41.2 | 168.4 | -54.3 | 168 | 0 | 0 | 0 | 114.4 | D2649 S2751 | D2649-L2721 PolarHBondContact OD1-N 3.18Å; L2721-S2751 PolarHBondContact O-OG 2.91Å |
| 2722 | L | 80.6 | Confident | 88.4 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | trans | -102.5 | 0.7 | -179.8 | -67 | 178 | 0 | 0 | 0 | 114.6 | L2717 G2719 P2720 E2724 K2725 H2727 Y2759 | L2717-L2722 HydrophobicContact CD2-CD1 4.37Å; L2717-L2722 HydrophobicContact CD2-CD2 3.96Å; L2717-L2722 HydrophobicContact CG-CD1 4.17Å; L2717-L2722 VanDerWaalsContact O-CD1 3.26Å; L2717-L2722 WeakPolarHBondContact O-CD1 3.41Å; G2719-L2722 WeakPolarHBondContact O-CD1 3.36Å; P2720-L2722 PolarHBondContact O-N 3.3Å; L2722-E2724 VanDerWaalsContact C-N 3.27Å; L2722-E2724 PolarHBondContact O-N 3.12Å; L2722-K2725 PolarHBondContact O-N 3.34Å; L2722-K2725 VanDerWaalsContact O-O 3.1Å; L2722-H2727 HydrophobicContact CB-CB 4.47Å; L2722-H2727 HydrophobicContact CD1-CB 4.26Å; L2722-Y2759 HydrophobicContact CD1-CD1 4.35Å; L2722-Y2759 HydrophobicContact CD1-CE1 4.16Å; L2722-Y2759 HydrophobicContact CD2-CE1 3.92Å; L2722-Y2759 HydrophobicContact CG-CE1 4.03Å | ||
| 2723 | S | 76.5 | Confident | 88.2 | Confident | 86 Ų | 86 | 48.4 Ų | 48.4 | 60% | 0.601 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -39.1 | -178.3 | 46.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 2724 | E | 78 | Confident | 88 | Confident | 187 Ų | 187 | 52.1 Ų | 52.1 | 87% | 0.874 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -4.2 | -176.3 | -60.5 | -173.8 | 175.3 | 0 | 0 | 113.6 | L2722 | L2722-E2724 VanDerWaalsContact C-N 3.27Å; L2722-E2724 PolarHBondContact O-N 3.12Å |
| 2725 | K | 79.9 | Confident | 87.8 | Confident | 48 Ų | 48 | 56.6 Ų | 56.6 | 21% | 0.209 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -111.2 | 142.1 | -175.4 | -62.9 | -162.3 | 178.1 | -158.3 | 0 | 111.5 | E2688 L2722 H2727 F2749 L2750 S2751 | E2688-K2725 IonicContact OE1-NZ 3.54Å; E2688-K2725 PolarHBondContact OE1-NZ 3.23Å; L2722-K2725 PolarHBondContact O-N 3.34Å; L2722-K2725 VanDerWaalsContact O-O 3.1Å; K2725-H2727 PolarHBondContact O-N 3.4Å; K2725-H2727 VanDerWaalsContact O-N 3.12Å; K2725-H2727 PolarHBondContact O-ND1 3.3Å; K2725-F2749 HydrophobicContact CD-CB 4.31Å; K2725-F2749 WeakPolarHBondContact CD-O 3.39Å; K2725-L2750 PolarHBondContact NZ-O 3.36Å; K2725-S2751 WeakPolarHBondContact CE-OG 3.47Å |
| 2726 | K | 85.2 | Confident | 87.5 | Confident | 146 Ų | 146 | 61.3 Ų | 61.3 | 64% | 0.635 | 31% | 0.313 | S | S | * | . | trans | -66.7 | 113.2 | 173.8 | -173.8 | 177 | -179.7 | 179.6 | 0 | 109.5 | K2728 F2729 | K2726-K2728 WeakPolarHBondContact CE-O 3.34Å; K2726-F2729 HydrophobicContact CD-CE1 4.03Å; K2726-F2729 HydrophobicContact CD-CE2 4.44Å; K2726-F2729 HydrophobicContact CD-CZ 3.81Å; K2726-F2729 HydrophobicContact CG-CE2 4.35Å; K2726-F2729 HydrophobicContact CG-CZ 4.18Å | ||
| 2727 | H | 87.6 | Confident | 87.4 | Confident | 37 Ų | 37 | 64.2 Ų | 64.2 | 17% | 0.171 | 33% | 0.331 | C | S | . | . | trans | -118.6 | 12.8 | -173.5 | 60.5 | -88.3 | 0 | 0 | 0 | 113.1 | V2716 L2717 L2722 K2725 F2748 E2848 | V2716-H2727 CarbonylContact C-O 3.53Å; V2716-H2727 VanDerWaalsContact CA-O 3.28Å; V2716-H2727 WeakPolarHBondContact CA-O 3.46Å; L2717-H2727 HydrophobicContact CB-CB 4.31Å; L2717-H2727 PolarHBondContact N-O 3.04Å; L2722-H2727 HydrophobicContact CB-CB 4.47Å; L2722-H2727 HydrophobicContact CD1-CB 4.26Å; K2725-H2727 PolarHBondContact O-N 3.4Å; K2725-H2727 VanDerWaalsContact O-N 3.12Å; K2725-H2727 PolarHBondContact O-ND1 3.3Å; H2727-F2748 VanDerWaalsContact C-CE1 3.47Å; H2727-F2748 WeakPolarHBondContact O-CE1 3.32Å; H2727-E2848 IonicContact NE2-OE2 2.84Å; H2727-E2848 PolarHBondContact NE2-OE2 3.31Å | ||
| 2728 | K | 91 | Very high | 87.3 | Confident | 75 Ų | 75 | 69.3 Ų | 69.3 | 33% | 0.326 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 131.7 | -178.4 | 176.8 | 169.8 | -179.6 | 162 | 0 | 113 | E2714 V2715 V2716 K2726 E2848 | E2714-K2728 WeakPolarHBondContact OE2-CE 3.48Å; E2714-K2728 IonicContact OE2-NZ 3.61Å; E2714-K2728 PolarHBondContact OE2-NZ 3.17Å; V2715-K2728 WeakPolarHBondContact O-CA 3.43Å; V2716-K2728 HydrophobicContact CG2-CB 4.4Å; V2716-K2728 HydrophobicContact CG2-CD 4.34Å; V2716-K2728 HydrophobicContact CG2-CG 4.08Å; K2726-K2728 WeakPolarHBondContact CE-O 3.34Å; K2728-E2848 IonicContact NZ-OE1 3.11Å |
| 2729 | F | 93.9 | Very high | 87.3 | Confident | 40 Ų | 40 | 71.2 Ų | 71.2 | 18% | 0.175 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 162.5 | 175 | -65.8 | -93.2 | 0 | 0 | 0 | 111 | E2714 V2715 K2726 F2746 T2747 F2748 | E2714-F2729 CarbonylContact C-O 3.53Å; E2714-F2729 WeakPolarHBondContact CA-O 3.48Å; V2715-F2729 PolarHBondContact N-O 3.15Å; V2715-F2729 PolarHBondContact O-N 3.22Å; K2726-F2729 HydrophobicContact CD-CE1 4.03Å; K2726-F2729 HydrophobicContact CD-CE2 4.44Å; K2726-F2729 HydrophobicContact CD-CZ 3.81Å; K2726-F2729 HydrophobicContact CG-CE2 4.35Å; K2726-F2729 HydrophobicContact CG-CZ 4.18Å; F2729-F2746 HydrophobicContact CB-CB 4.01Å; F2729-F2746 HydrophobicContact CB-CD1 3.53Å; F2729-F2746 HydrophobicContact CB-CD2 3.88Å; F2729-F2746 HydrophobicContact CB-CE1 3.91Å; F2729-F2746 HydrophobicContact CB-CE2 4.23Å; F2729-F2746 HydrophobicContact CB-CG 3.51Å; F2729-F2746 HydrophobicContact CB-CZ 4.25Å; F2729-F2746 HydrophobicContact CD1-CB 4.13Å; F2729-F2746 AromaticContact CD1-CD1 3.56Å; F2729-F2746 HydrophobicContact CD1-CD1 3.56Å; F2729-F2746 HydrophobicContact CD1-CE1 4.3Å; F2729-F2746 HydrophobicContact CD1-CG 4.07Å; F2729-F2746 HydrophobicContact CD2-CB 3.99Å; F2729-F2746 HydrophobicContact CD2-CG 4.42Å; F2729-F2746 HydrophobicContact CE1-CD1 4.45Å; F2729-F2746 HydrophobicContact CE2-CB 4.49Å; F2729-F2746 HydrophobicContact CG-CB 3.8Å; F2729-F2746 AromaticContact CG-CD1 3.71Å; F2729-F2746 HydrophobicContact CG-CD1 3.71Å; F2729-F2746 HydrophobicContact CG-CE1 4.46Å; F2729-F2746 AromaticContact CG-CG 3.77Å; F2729-F2746 HydrophobicContact CG-CG 3.77Å; F2729-T2747 WeakPolarHBondContact CE2-O 3.2Å; F2729-T2747 WeakPolarHBondContact CZ-O 3.35Å; F2729-F2748 HydrophobicContact CD2-CD1 4Å; F2729-F2748 AromaticContact CD2-CE1 3.31Å; F2729-F2748 HydrophobicContact CD2-CE1 3.31Å; F2729-F2748 HydrophobicContact CD2-CE2 4.32Å; F2729-F2748 AromaticContact CD2-CZ 3.51Å; F2729-F2748 HydrophobicContact CD2-CZ 3.51Å; F2729-F2748 AromaticContact CE2-CD1 3.69Å; F2729-F2748 HydrophobicContact CE2-CD1 3.69Å; F2729-F2748 AromaticContact CE2-CE1 3.5Å; F2729-F2748 HydrophobicContact CE2-CE1 3.5Å; F2729-F2748 HydrophobicContact CE2-CG 4.38Å; F2729-F2748 HydrophobicContact CE2-CZ 4.05Å |
| 2730 | A | 92.3 | Very high | 87.6 | Confident | 48 Ų | 48 | 71.2 Ų | 71.2 | 40% | 0.397 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 144.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | F2712 I2713 F2746 | F2712-A2730 HydrophobicContact CD2-CB 4.15Å; F2712-A2730 HydrophobicContact CE2-CB 4.36Å; I2713-A2730 CarbonylContact O-C 3.59Å; I2713-A2730 VanDerWaalsContact O-CA 3.24Å; I2713-A2730 WeakPolarHBondContact O-CA 3.49Å; A2730-F2746 VanDerWaalsContact C-CZ 3.5Å; A2730-F2746 WeakPolarHBondContact O-CZ 3.46Å |
| 2731 | T | 94.6 | Very high | 88.1 | Confident | 10 Ų | 10 | 74.4 Ų | 74.4 | 6% | 0.061 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 162.2 | 174.1 | 65.5 | 0 | 0 | 0 | 0 | 111.8 | V2695 I2713 F2742 E2744 F2746 | V2695-T2731 HydrophobicContact CB-CG2 3.95Å; V2695-T2731 HydrophobicContact CG1-CG2 3.98Å; V2695-T2731 HydrophobicContact CG2-CG2 4.21Å; I2713-T2731 HydrophobicContact CB-CG2 4.08Å; I2713-T2731 PolarHBondContact N-OG1 2.92Å; I2713-T2731 PolarHBondContact O-N 3.11Å; T2731-F2742 HydrophobicContact CG2-CB 4.11Å; T2731-F2742 HydrophobicContact CG2-CD1 4.12Å; T2731-F2742 HydrophobicContact CG2-CG 4.05Å; T2731-F2742 WeakPolarHBondContact OG1-CD1 3.47Å; T2731-F2742 WeakPolarHBondContact OG1-CE1 3.35Å; T2731-E2744 WeakPolarHBondContact CA-OE2 3.41Å; T2731-E2744 HydrophobicContact CG2-CB 4.19Å; T2731-F2746 HydrophobicContact CG2-CE2 3.81Å; T2731-F2746 HydrophobicContact CG2-CZ 3.84Å |
| 2732 | K | 92.5 | Very high | 88.6 | Confident | 157 Ų | 157 | 70.6 Ų | 70.6 | 68% | 0.683 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 137.5 | 167.8 | -63.5 | 176 | -177.5 | 174.5 | 0 | 109.8 | F2742 E2744 | K2732-F2742 WeakPolarHBondContact O-CD1 3.38Å; K2732-F2742 VanDerWaalsContact O-CE1 3.28Å; K2732-F2742 WeakPolarHBondContact O-CE1 3.19Å; K2732-E2744 VanDerWaalsContact CB-OE1 3.29Å; K2732-E2744 WeakPolarHBondContact CB-OE1 3.38Å; K2732-E2744 WeakPolarHBondContact CG-OE1 3.41Å; K2732-E2744 PolarHBondContact N-OE1 3.42Å; K2732-E2744 PolarHBondContact N-OE2 3.06Å |
| 2733 | S | 90.9 | Very high | 89.2 | Confident | 49 Ų | 49 | 75.3 Ų | 75.3 | 34% | 0.343 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 143.1 | 176.9 | 55.4 | 0 | 0 | 0 | 0 | 112.2 | P2711 | P2711-S2733 WeakPolarHBondContact O-CA 3.23Š|
| 2734 | K | 91.5 | Very high | 90.1 | Very high | 77 Ų | 77 | 73 Ų | 73 | 34% | 0.335 | 37% | 0.367 | S | S | . | . | trans | -109.6 | 130.6 | 176.8 | -63.6 | -73.6 | 169 | 146.5 | 0 | 109.1 | K2710 P2711 P2740 V2741 F2742 | K2710-K2734 WeakPolarHBondContact CA-O 3.27Å; P2711-K2734 WeakPolarHBondContact CD-O 3.48Å; P2711-K2734 PolarHBondContact O-N 3.27Å; K2734-P2740 HydrophobicContact CB-CB 3.73Å; K2734-P2740 HydrophobicContact CG-CB 3.82Å; K2734-V2741 WeakPolarHBondContact CE-O 3.49Å; K2734-V2741 PolarHBondContact NZ-O 3.35Å; K2734-F2742 HydrophobicContact CG-CD1 4.07Å; K2734-F2742 HydrophobicContact CG-CE1 3.81Å | ||
| 2735 | N | 90.8 | Very high | 90.8 | Very high | 112 Ų | 112 | 67.9 Ų | 67.9 | 60% | 0.599 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 121.7 | -173.5 | -66.1 | -47.8 | 0 | 0 | 0 | 111.8 | K2710 V2737 | K2710-N2735 WeakPolarHBondContact CD-OD1 3.23Å; K2710-N2735 VanDerWaalsContact CE-OD1 3.24Å; K2710-N2735 WeakPolarHBondContact CE-OD1 3.1Å; K2710-N2735 WeakPolarHBondContact CG-OD1 3.36Å; N2735-V2737 WeakPolarHBondContact O-CG2 3.35Å; N2735-V2737 PolarHBondContact O-N 3.32Å |
| 2736 | N | 87.5 | Confident | 91.4 | Very high | 98 Ų | 98 | 66.6 Ų | 66.6 | 52% | 0.524 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 41.1 | 168.8 | -146.4 | 41.1 | 0 | 0 | 0 | 115.2 | F2709 W2738 | F2709-N2736 WeakPolarHBondContact O-CA 3.12Å; F2709-N2736 PolarHBondContact O-N 3.21Å; N2736-W2738 WeakPolarHBondContact OD1-CZ3 3.35Å |
| 2737 | V | 89.3 | Confident | 91.7 | Very high | 63 Ų | 63 | 61.5 Ų | 61.5 | 38% | 0.382 | 32% | 0.324 | S | S | . | . | trans | -127.4 | 122.4 | 179.8 | -174.6 | 0 | 0 | 0 | 0 | 110 | F2709 P2711 N2735 S2739 P2740 | F2709-V2737 WeakPolarHBondContact CE1-O 3.44Å; P2711-V2737 VanDerWaalsContact CG-O 3.3Å; P2711-V2737 WeakPolarHBondContact CG-O 3.49Å; N2735-V2737 WeakPolarHBondContact O-CG2 3.35Å; N2735-V2737 PolarHBondContact O-N 3.32Å; V2737-S2739 WeakPolarHBondContact CG1-O 3.45Å; V2737-P2740 WeakPolarHBondContact O-CD 3.39Å | ||
| 2738 | W | 90.3 | Very high | 91.8 | Very high | 107 Ų | 107 | 59.8 Ų | 59.8 | 41% | 0.405 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -80.5 | -16.3 | 178.7 | -81 | -111.3 | 0 | 0 | 0 | 114.4 | N2700 L2701 W2703 F2709 N2736 P2740 | N2700-W2738 PolarHBondContact N-O 2.94Å; L2701-W2738 WeakPolarHBondContact CB-O 3.27Å; L2701-W2738 WeakPolarHBondContact CG-O 3.38Å; L2701-W2738 PolarHBondContact N-O 3.5Å; W2703-W2738 PolarHBondContact O-NE1 3.25Å; F2709-W2738 HydrophobicContact CB-CH2 4.21Å; F2709-W2738 HydrophobicContact CB-CZ2 4.34Å; F2709-W2738 AromaticContact CD1-CD2 3.88Å; F2709-W2738 HydrophobicContact CD1-CD2 3.88Å; F2709-W2738 AromaticContact CD1-CE2 3.9Å; F2709-W2738 HydrophobicContact CD1-CE3 4.09Å; F2709-W2738 HydrophobicContact CD1-CG 4.4Å; F2709-W2738 HydrophobicContact CD1-CH2 4.32Å; F2709-W2738 HydrophobicContact CD1-CZ2 4.13Å; F2709-W2738 HydrophobicContact CD1-CZ3 4.31Å; F2709-W2738 HydrophobicContact CE1-CD2 4.14Å; F2709-W2738 HydrophobicContact CE1-CG 4.18Å; F2709-W2738 HydrophobicContact CG-CZ2 4.43Å; N2736-W2738 WeakPolarHBondContact OD1-CZ3 3.35Å; W2738-P2740 VanDerWaalsContact C-CD 3.44Å |
| 2739 | S | 90.9 | Very high | 91.6 | Very high | 46 Ų | 46 | 61 Ų | 61 | 32% | 0.322 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -125.1 | 67.6 | 171.5 | -58.2 | 0 | 0 | 0 | 0 | 110.7 | A2698 N2700 V2737 | A2698-S2739 CarbonylContact O-C 3.56Å; A2698-S2739 WeakPolarHBondContact O-CA 3.47Å; N2700-S2739 PolarHBondContact N-OG 3.43Å; V2737-S2739 WeakPolarHBondContact CG1-O 3.45Å |
| 2740 | P | 91.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | trans | -71.7 | 131.9 | -173.6 | 29.9 | -36.4 | 0 | 0 | 0 | 112.4 | A2697 A2698 L2701 P2711 K2734 V2737 W2738 F2742 | A2697-P2740 CarbonylContact C-O 3.51Å; A2697-P2740 VanDerWaalsContact CA-O 3.24Å; A2697-P2740 WeakPolarHBondContact CA-O 3.38Å; A2698-P2740 HydrophobicContact CB-CG 4.01Å; A2698-P2740 PolarHBondContact N-O 2.59Å; A2698-P2740 VanDerWaalsContact O-CD 3.26Å; A2698-P2740 WeakPolarHBondContact O-CD 3.13Å; A2698-P2740 VanDerWaalsContact O-N 3.16Å; L2701-P2740 HydrophobicContact CD1-CG 4.03Å; P2711-P2740 HydrophobicContact CB-CG 4.05Å; P2711-P2740 HydrophobicContact CG-CB 4.12Å; P2711-P2740 HydrophobicContact CG-CG 3.76Å; K2734-P2740 HydrophobicContact CB-CB 3.73Å; K2734-P2740 HydrophobicContact CG-CB 3.82Å; V2737-P2740 WeakPolarHBondContact O-CD 3.39Å; W2738-P2740 VanDerWaalsContact C-CD 3.44Å; P2740-F2742 HydrophobicContact CB-CE1 4.3Å; P2740-F2742 HydrophobicContact CB-CE2 3.96Å; P2740-F2742 HydrophobicContact CB-CZ 3.73Å; P2740-F2742 HydrophobicContact CG-CE2 3.63Å; P2740-F2742 HydrophobicContact CG-CZ 3.56Å | ||
| 2741 | V | 93.7 | Very high | 90.3 | Very high | 78 Ų | 78 | 57.8 Ų | 57.8 | 47% | 0.473 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 122.3 | 170.5 | -176.9 | 0 | 0 | 0 | 0 | 109.5 | A2697 K2734 N2743 | A2697-V2741 HydrophobicContact CB-CB 4.44Å; A2697-V2741 HydrophobicContact CB-CG2 4.11Å; K2734-V2741 WeakPolarHBondContact CE-O 3.49Å; K2734-V2741 PolarHBondContact NZ-O 3.35Å; V2741-N2743 WeakPolarHBondContact CG1-ND2 3.26Å |
| 2742 | F | 92.9 | Very high | 88.9 | Confident | 11 Ų | 11 | 60.7 Ų | 60.7 | 5% | 0.048 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -55.4 | -177.1 | -61.4 | -76.6 | 0 | 0 | 0 | 111.7 | V2695 I2696 A2698 I2713 T2731 K2732 K2734 P2740 E2744 | V2695-F2742 HydrophobicContact CG1-CB 4.34Å; V2695-F2742 HydrophobicContact CG1-CD2 3.97Å; V2695-F2742 HydrophobicContact CG1-CG 4.42Å; I2696-F2742 PolarHBondContact O-N 3.32Å; A2698-F2742 HydrophobicContact CB-CE2 4.19Å; I2713-F2742 HydrophobicContact CD1-CE2 4.05Å; I2713-F2742 HydrophobicContact CD1-CZ 4.36Å; I2713-F2742 HydrophobicContact CG1-CD2 4.01Å; I2713-F2742 HydrophobicContact CG1-CE2 3.45Å; I2713-F2742 VanDerWaalsContact CG1-CE2 3.45Å; I2713-F2742 HydrophobicContact CG1-CZ 3.84Å; T2731-F2742 HydrophobicContact CG2-CB 4.11Å; T2731-F2742 HydrophobicContact CG2-CD1 4.12Å; T2731-F2742 HydrophobicContact CG2-CG 4.05Å; T2731-F2742 WeakPolarHBondContact OG1-CD1 3.47Å; T2731-F2742 WeakPolarHBondContact OG1-CE1 3.35Å; K2732-F2742 WeakPolarHBondContact O-CD1 3.38Å; K2732-F2742 VanDerWaalsContact O-CE1 3.28Å; K2732-F2742 WeakPolarHBondContact O-CE1 3.19Å; K2734-F2742 HydrophobicContact CG-CD1 4.07Å; K2734-F2742 HydrophobicContact CG-CE1 3.81Å; P2740-F2742 HydrophobicContact CB-CE1 4.3Å; P2740-F2742 HydrophobicContact CB-CE2 3.96Å; P2740-F2742 HydrophobicContact CB-CZ 3.73Å; P2740-F2742 HydrophobicContact CG-CE2 3.63Å; P2740-F2742 HydrophobicContact CG-CZ 3.56Å; F2742-E2744 VanDerWaalsContact C-N 3.34Å |
| 2743 | N | 92.2 | Very high | 87.7 | Confident | 106 Ų | 106 | 57 Ų | 57 | 57% | 0.567 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.3 | 48.2 | -171.6 | -64 | -35.1 | 0 | 0 | 0 | 112.9 | V2695 I2696 V2741 | V2695-N2743 VanDerWaalsContact O-CA 3.32Å; V2695-N2743 WeakPolarHBondContact O-CA 3.29Å; V2695-N2743 PolarHBondContact O-N 2.98Å; I2696-N2743 PolarHBondContact O-N 3.11Å; I2696-N2743 VanDerWaalsContact O-N 3.08Å; I2696-N2743 PolarHBondContact O-OD1 2.86Å; V2741-N2743 WeakPolarHBondContact CG1-ND2 3.26Å |
| 2744 | E | 95.2 | Very high | 86.9 | Confident | 37 Ų | 37 | 55.2 Ų | 55.2 | 17% | 0.173 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 131.7 | 179.3 | -69.2 | -176.2 | -135.1 | 0 | 0 | 111 | T2694 V2695 T2731 K2732 F2742 F2746 | T2694-E2744 CarbonylContact C-O 3.55Å; T2694-E2744 WeakPolarHBondContact CA-O 3.37Å; V2695-E2744 PolarHBondContact N-O 3.42Å; V2695-E2744 PolarHBondContact O-N 3.3Å; V2695-E2744 VanDerWaalsContact O-N 3.11Å; T2731-E2744 WeakPolarHBondContact CA-OE2 3.41Å; T2731-E2744 HydrophobicContact CG2-CB 4.19Å; K2732-E2744 VanDerWaalsContact CB-OE1 3.29Å; K2732-E2744 WeakPolarHBondContact CB-OE1 3.38Å; K2732-E2744 WeakPolarHBondContact CG-OE1 3.41Å; K2732-E2744 PolarHBondContact N-OE1 3.42Å; K2732-E2744 PolarHBondContact N-OE2 3.06Å; F2742-E2744 VanDerWaalsContact C-N 3.34Å; E2744-F2746 HydrophobicContact CB-CZ 4.08Å |
| 2745 | T | 92.8 | Very high | 86.3 | Confident | 80 Ų | 80 | 56.2 Ų | 56.2 | 49% | 0.491 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 129.6 | -178.4 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | T2692 I2693 T2694 | T2692-T2745 HydrophobicContact CG2-CG2 3.36Å; I2693-T2745 CarbonylContact O-C 3.52Å; I2693-T2745 VanDerWaalsContact O-CA 3.31Å; I2693-T2745 WeakPolarHBondContact O-CA 3.39Å; T2694-T2745 WeakPolarHBondContact CG2-OG1 3.5Å; T2694-T2745 WeakPolarHBondContact OG1-CG2 3.48Å; T2694-T2745 PolarHBondContact OG1-OG1 3.46Å |
| 2746 | F | 92.9 | Very high | 85.9 | Confident | 21 Ų | 21 | 51.5 Ų | 51.5 | 9% | 0.092 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 153.1 | 175 | -50.8 | -59.1 | 0 | 0 | 0 | 110.6 | T2692 I2693 V2695 V2715 F2729 A2730 T2731 E2744 | T2692-F2746 CarbonylContact C-O 3.53Å; T2692-F2746 WeakPolarHBondContact CA-O 3.39Å; I2693-F2746 HydrophobicContact CG2-CB 3.9Å; I2693-F2746 HydrophobicContact CG2-CD2 4.31Å; I2693-F2746 PolarHBondContact N-O 3.3Å; I2693-F2746 PolarHBondContact O-N 3.22Å; V2695-F2746 HydrophobicContact CG2-CD2 4.3Å; V2695-F2746 HydrophobicContact CG2-CE2 4.02Å; V2715-F2746 HydrophobicContact CG2-CD2 4.33Å; V2715-F2746 HydrophobicContact CG2-CE2 4.39Å; F2729-F2746 HydrophobicContact CB-CB 4.01Å; F2729-F2746 HydrophobicContact CB-CD1 3.53Å; F2729-F2746 HydrophobicContact CB-CD2 3.88Å; F2729-F2746 HydrophobicContact CB-CE1 3.91Å; F2729-F2746 HydrophobicContact CB-CE2 4.23Å; F2729-F2746 HydrophobicContact CB-CG 3.51Å; F2729-F2746 HydrophobicContact CB-CZ 4.25Å; F2729-F2746 HydrophobicContact CD1-CB 4.13Å; F2729-F2746 AromaticContact CD1-CD1 3.56Å; F2729-F2746 HydrophobicContact CD1-CD1 3.56Å; F2729-F2746 HydrophobicContact CD1-CE1 4.3Å; F2729-F2746 HydrophobicContact CD1-CG 4.07Å; F2729-F2746 HydrophobicContact CD2-CB 3.99Å; F2729-F2746 HydrophobicContact CD2-CG 4.42Å; F2729-F2746 HydrophobicContact CE1-CD1 4.45Å; F2729-F2746 HydrophobicContact CE2-CB 4.49Å; F2729-F2746 HydrophobicContact CG-CB 3.8Å; F2729-F2746 AromaticContact CG-CD1 3.71Å; F2729-F2746 HydrophobicContact CG-CD1 3.71Å; F2729-F2746 HydrophobicContact CG-CE1 4.46Å; F2729-F2746 AromaticContact CG-CG 3.77Å; F2729-F2746 HydrophobicContact CG-CG 3.77Å; A2730-F2746 VanDerWaalsContact C-CZ 3.5Å; A2730-F2746 WeakPolarHBondContact O-CZ 3.46Å; T2731-F2746 HydrophobicContact CG2-CE2 3.81Å; T2731-F2746 HydrophobicContact CG2-CZ 3.84Å; E2744-F2746 HydrophobicContact CB-CZ 4.08Å |
| 2747 | T | 91.4 | Very high | 85.8 | Confident | 39 Ų | 39 | 51.8 Ų | 51.8 | 24% | 0.239 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 125.4 | 179.1 | -61.2 | 0 | 0 | 0 | 0 | 109.7 | K2690 V2691 F2729 F2749 | K2690-T2747 HydrophobicContact CD-CG2 4.01Å; K2690-T2747 HydrophobicContact CG-CG2 3.57Å; V2691-T2747 CarbonylContact O-C 3.47Å; V2691-T2747 WeakPolarHBondContact O-CA 3.47Å; F2729-T2747 WeakPolarHBondContact CE2-O 3.2Å; F2729-T2747 WeakPolarHBondContact CZ-O 3.35Å; T2747-F2749 HydrophobicContact CG2-CE1 4.43Å; T2747-F2749 HydrophobicContact CG2-CE2 4.03Å; T2747-F2749 HydrophobicContact CG2-CZ 3.95Å |
| 2748 | F | 89.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 150.1 | 169.3 | -55.7 | -83.9 | 0 | 0 | 0 | 110.6 | K2690 V2691 I2693 V2715 L2717 H2727 F2729 L2761 | K2690-F2748 WeakPolarHBondContact CA-O 3.01Å; V2691-F2748 HydrophobicContact CB-CB 4.28Å; V2691-F2748 PolarHBondContact N-O 3.42Å; V2691-F2748 PolarHBondContact O-N 2.5Å; I2693-F2748 HydrophobicContact CG2-CD2 4.35Å; I2693-F2748 HydrophobicContact CG2-CE2 3.78Å; V2715-F2748 HydrophobicContact CB-CZ 4.43Å; V2715-F2748 HydrophobicContact CG1-CE2 3.93Å; V2715-F2748 HydrophobicContact CG1-CZ 3.88Å; L2717-F2748 HydrophobicContact CB-CD1 3.72Å; L2717-F2748 HydrophobicContact CB-CE1 3.85Å; L2717-F2748 HydrophobicContact CB-CG 4.07Å; L2717-F2748 HydrophobicContact CB-CZ 4.31Å; L2717-F2748 HydrophobicContact CD2-CB 3.79Å; L2717-F2748 HydrophobicContact CD2-CD1 4.22Å; L2717-F2748 HydrophobicContact CD2-CG 4.11Å; H2727-F2748 VanDerWaalsContact C-CE1 3.47Å; H2727-F2748 WeakPolarHBondContact O-CE1 3.32Å; F2729-F2748 HydrophobicContact CD2-CD1 4Å; F2729-F2748 AromaticContact CD2-CE1 3.31Å; F2729-F2748 HydrophobicContact CD2-CE1 3.31Å; F2729-F2748 HydrophobicContact CD2-CE2 4.32Å; F2729-F2748 AromaticContact CD2-CZ 3.51Å; F2729-F2748 HydrophobicContact CD2-CZ 3.51Å; F2729-F2748 AromaticContact CE2-CD1 3.69Å; F2729-F2748 HydrophobicContact CE2-CD1 3.69Å; F2729-F2748 AromaticContact CE2-CE1 3.5Å; F2729-F2748 HydrophobicContact CE2-CE1 3.5Å; F2729-F2748 HydrophobicContact CE2-CG 4.38Å; F2729-F2748 HydrophobicContact CE2-CZ 4.05Å; F2748-L2761 HydrophobicContact CD2-CD2 3.92Å; F2748-L2761 HydrophobicContact CE2-CD2 3.56Å; F2748-L2761 HydrophobicContact CZ-CD2 4.22Å |
| 2749 | F | 86.9 | Confident | 85.7 | Confident | 102 Ų | 102 | 44.3 Ų | 44.3 | 45% | 0.447 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 122.4 | 175 | -62.9 | -86.4 | 0 | 0 | 0 | 108.6 | K2690 K2725 T2747 | K2690-F2749 HydrophobicContact CG-CE1 4.3Å; K2725-F2749 HydrophobicContact CD-CB 4.31Å; K2725-F2749 WeakPolarHBondContact CD-O 3.39Å; T2747-F2749 HydrophobicContact CG2-CE1 4.43Å; T2747-F2749 HydrophobicContact CG2-CE2 4.03Å; T2747-F2749 HydrophobicContact CG2-CZ 3.95Å |
| 2750 | L | 85.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -82.5 | 150.7 | 172.9 | -49.1 | -171 | 0 | 0 | 0 | 109.4 | H2689 V2691 L2717 K2725 Y2759 L2784 | H2689-L2750 HydrophobicContact CB-CB 4.03Å; H2689-L2750 HydrophobicContact CB-CD1 3.69Å; H2689-L2750 HydrophobicContact CB-CG 3.93Å; H2689-L2750 PolarHBondContact O-N 3.26Å; V2691-L2750 HydrophobicContact CG2-CD1 4.12Å; V2691-L2750 HydrophobicContact CG2-CD2 4.07Å; V2691-L2750 HydrophobicContact CG2-CG 4.05Å; L2717-L2750 HydrophobicContact CD1-CD2 4.37Å; L2717-L2750 HydrophobicContact CD2-CD2 3.46Å; L2717-L2750 VanDerWaalsContact CD2-CD2 3.46Å; L2717-L2750 HydrophobicContact CG-CD2 4.48Å; K2725-L2750 PolarHBondContact NZ-O 3.36Å; L2750-Y2759 HydrophobicContact CB-CE2 4.4Å; L2750-Y2759 HydrophobicContact CD1-CD2 3.88Å; L2750-Y2759 HydrophobicContact CD1-CE2 4.12Å; L2750-Y2759 HydrophobicContact CD1-CG 4.37Å; L2750-Y2759 HydrophobicContact CD2-CD1 3.97Å; L2750-Y2759 HydrophobicContact CD2-CD2 4.22Å; L2750-Y2759 HydrophobicContact CD2-CE1 4.15Å; L2750-Y2759 HydrophobicContact CD2-CE2 4.33Å; L2750-Y2759 HydrophobicContact CD2-CG 4.05Å; L2750-L2784 HydrophobicContact CD1-CD1 4.2Å |
| 2751 | S | 73.3 | Confident | 85.8 | Confident | 19 Ų | 19 | 42 Ų | 42 | 13% | 0.133 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 145.1 | 179.1 | -66 | 0 | 0 | 0 | 0 | 111.2 | L2721 K2725 G2753 S2754 | L2721-S2751 PolarHBondContact O-OG 2.91Å; K2725-S2751 WeakPolarHBondContact CE-OG 3.47Å; S2751-G2753 PolarHBondContact O-N 2.71Å; S2751-S2754 PolarHBondContact O-N 3.31Å; S2751-S2754 PolarHBondContact O-OG 3.18Å |
| 2752 | A | 65.7 | Low | 85.7 | Confident | 71 Ų | 71 | 38.3 Ų | 38.3 | 59% | 0.587 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 119 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | E2688 | E2688-A2752 HydrophobicContact CG-CB 4.17Š|
| 2753 | G | 67.6 | Low | 85.8 | Confident | 81 Ų | 81 | 37.8 Ų | 37.8 | 84% | 0.835 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 103.7 | 0.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | S2751 | S2751-G2753 PolarHBondContact O-N 2.71Š|
| 2754 | S | 72.7 | Confident | 85.8 | Confident | 11 Ų | 11 | 32.8 Ų | 32.8 | 8% | 0.077 | 20% | 0.203 | C | C | . | . | trans | -102.8 | 131.6 | 172.1 | 57.4 | 0 | 0 | 0 | 0 | 111.9 | S2751 Y2759 | S2751-S2754 PolarHBondContact O-N 3.31Å; S2751-S2754 PolarHBondContact O-OG 3.18Å; S2754-Y2759 WeakPolarHBondContact CB-OH 3.16Å; S2754-Y2759 VanDerWaalsContact OG-CE2 3.27Å; S2754-Y2759 WeakPolarHBondContact OG-CE2 3.31Å; S2754-Y2759 PolarHBondContact OG-OH 2.84Å | ||
| 2755 | D | 80.2 | Confident | 85.7 | Confident | 98 Ų | 98 | 31 Ų | 31 | 52% | 0.524 | 19% | 0.194 | S | C | . | . | trans | -72.2 | 139.5 | -179.9 | -60 | -46.9 | 0 | 0 | 0 | 110.5 | E2757 S2758 Y2759 | D2755-E2757 PolarHBondContact O-N 2.82Å; D2755-S2758 WeakPolarHBondContact O-CB 3.44Å; D2755-S2758 PolarHBondContact O-N 3.4Å; D2755-Y2759 WeakPolarHBondContact O-CD2 3.21Å | ||
| 2756 | P | 82.2 | Confident | 85.7 | Confident | 13 Ų | 13 | 27.8 Ų | 27.8 | 8% | 0.084 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -52.2 | -32.7 | 176.2 | -24.6 | 32.5 | 0 | 0 | 0 | 112.5 | L2680 S2758 Y2759 L2784 A2788 | L2680-P2756 HydrophobicContact CD2-CB 3.95Å; L2680-P2756 HydrophobicContact CD2-CG 4.04Å; P2756-S2758 PolarHBondContact O-N 3.32Å; P2756-S2758 VanDerWaalsContact O-N 3.12Å; P2756-Y2759 PolarHBondContact O-N 2.81Å; P2756-L2784 HydrophobicContact CB-CB 4.41Å; P2756-L2784 VanDerWaalsContact O-CB 3.24Å; P2756-L2784 WeakPolarHBondContact O-CB 3.33Å; P2756-A2788 HydrophobicContact CB-CB 4.4Å |
| 2757 | E | 84.8 | Confident | 85.6 | Confident | 103 Ų | 103 | 26.8 Ų | 26.8 | 48% | 0.481 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -61.5 | -21.3 | 179.8 | -55.3 | -174.8 | 171.9 | 0 | 0 | 114.5 | D2755 Y2759 R2785 | D2755-E2757 PolarHBondContact O-N 2.82Å; E2757-Y2759 PolarHBondContact O-N 3.3Å; E2757-R2785 HydrophobicContact CB-CB 3.94Å; E2757-R2785 HydrophobicContact CG-CB 3.89Å |
| 2758 | S | 87.1 | Confident | 85.5 | Confident | 13 Ų | 13 | 29.2 Ų | 29.2 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -82 | 5.1 | 177.2 | -60.3 | 0 | 0 | 0 | 0 | 113.4 | K2653 G2719 P2720 D2755 P2756 | K2653-S2758 WeakPolarHBondContact CE-OG 3.07Å; G2719-S2758 WeakPolarHBondContact CA-O 3.35Å; P2720-S2758 VanDerWaalsContact CD-O 3.27Å; P2720-S2758 WeakPolarHBondContact CD-O 3.2Å; D2755-S2758 WeakPolarHBondContact O-CB 3.44Å; D2755-S2758 PolarHBondContact O-N 3.4Å; P2756-S2758 PolarHBondContact O-N 3.32Å; P2756-S2758 VanDerWaalsContact O-N 3.12Å |
| 2759 | Y | 90.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -126.7 | 153.8 | -174.8 | -65.2 | -90.4 | 0 | 0 | 0 | 112.9 | L2717 F2718 G2719 P2720 L2722 L2750 S2754 D2755 P2756 E2757 L2784 | L2717-Y2759 HydrophobicContact CD1-CD1 4.28Å; L2717-Y2759 HydrophobicContact CD2-CD1 4.3Å; L2717-Y2759 HydrophobicContact CG-CD1 4.24Å; F2718-Y2759 CarbonylContact O-C 3.5Å; F2718-Y2759 WeakPolarHBondContact O-CA 3.42Å; F2718-Y2759 WeakPolarHBondContact O-CB 3.27Å; F2718-Y2759 WeakPolarHBondContact O-CD1 3.46Å; G2719-Y2759 VanDerWaalsContact CA-CD1 3.48Å; P2720-Y2759 HydrophobicContact CG-CE2 4.47Å; P2720-Y2759 WeakPolarHBondContact O-CE1 3.22Å; P2720-Y2759 PolarHBondContact O-OH 3.37Å; L2722-Y2759 HydrophobicContact CD1-CD1 4.35Å; L2722-Y2759 HydrophobicContact CD1-CE1 4.16Å; L2722-Y2759 HydrophobicContact CD2-CE1 3.92Å; L2722-Y2759 HydrophobicContact CG-CE1 4.03Å; L2750-Y2759 HydrophobicContact CB-CE2 4.4Å; L2750-Y2759 HydrophobicContact CD1-CD2 3.88Å; L2750-Y2759 HydrophobicContact CD1-CE2 4.12Å; L2750-Y2759 HydrophobicContact CD1-CG 4.37Å; L2750-Y2759 HydrophobicContact CD2-CD1 3.97Å; L2750-Y2759 HydrophobicContact CD2-CD2 4.22Å; L2750-Y2759 HydrophobicContact CD2-CE1 4.15Å; L2750-Y2759 HydrophobicContact CD2-CE2 4.33Å; L2750-Y2759 HydrophobicContact CD2-CG 4.05Å; S2754-Y2759 WeakPolarHBondContact CB-OH 3.16Å; S2754-Y2759 VanDerWaalsContact OG-CE2 3.27Å; S2754-Y2759 WeakPolarHBondContact OG-CE2 3.31Å; S2754-Y2759 PolarHBondContact OG-OH 2.84Å; D2755-Y2759 WeakPolarHBondContact O-CD2 3.21Å; P2756-Y2759 PolarHBondContact O-N 2.81Å; E2757-Y2759 PolarHBondContact O-N 3.3Å; Y2759-L2784 WeakPolarHBondContact O-CB 3.48Å; Y2759-L2784 PolarHBondContact O-N 2.88Å | ||
| 2760 | E | 92 | Very high | 84.8 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 147 | 176.5 | 64.7 | -174.9 | -177.9 | 0 | 0 | 110.8 | V2656 Q2662 F2718 V2781 L2782 K2853 | V2656-E2760 HydrophobicContact CG1-CB 4.41Å; V2656-E2760 HydrophobicContact CG1-CG 4.5Å; V2656-E2760 HydrophobicContact CG2-CG 4.07Å; Q2662-E2760 PolarHBondContact NE2-OE2 3.25Å; F2718-E2760 HydrophobicContact CB-CG 3.95Å; F2718-E2760 PolarHBondContact N-O 3.31Å; F2718-E2760 PolarHBondContact O-N 3.02Å; E2760-V2781 HydrophobicContact CB-CG1 3.89Å; E2760-V2781 HydrophobicContact CG-CG1 4.21Å; E2760-V2781 WeakPolarHBondContact OE2-CG1 3.46Å; E2760-L2782 CarbonylContact C-O 3.55Å; E2760-L2782 WeakPolarHBondContact CA-O 3.46Å; E2760-K2853 VanDerWaalsContact CD-NZ 3.31Å; E2760-K2853 WeakPolarHBondContact OE1-CE 3.38Å; E2760-K2853 IonicContact OE1-NZ 3.59Å; E2760-K2853 PolarHBondContact OE1-NZ 3.03Å; E2760-K2853 IonicContact OE2-NZ 3.42Å |
| 2761 | L | 92 | Very high | 84.2 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 114.3 | 173.7 | -72.7 | 166.4 | 0 | 0 | 0 | 109.2 | V2678 V2691 I2693 V2715 L2717 F2748 V2781 L2782 L2784 | V2678-L2761 HydrophobicContact CG1-CD1 4.06Å; V2678-L2761 HydrophobicContact CG2-CD1 4.39Å; V2691-L2761 HydrophobicContact CG1-CD1 4.13Å; I2693-L2761 HydrophobicContact CD1-CD1 4.2Å; V2715-L2761 HydrophobicContact CG1-CD2 4.05Å; L2717-L2761 HydrophobicContact CB-CD2 4.31Å; L2717-L2761 HydrophobicContact CD1-CD2 3.92Å; L2717-L2761 HydrophobicContact CD1-CG 4.35Å; F2748-L2761 HydrophobicContact CD2-CD2 3.92Å; F2748-L2761 HydrophobicContact CE2-CD2 3.56Å; F2748-L2761 HydrophobicContact CZ-CD2 4.22Å; L2761-V2781 CarbonylContact O-C 3.51Å; L2761-V2781 VanDerWaalsContact O-CA 3.31Å; L2761-V2781 WeakPolarHBondContact O-CA 3.48Å; L2761-L2782 HydrophobicContact CB-CB 4.35Å; L2761-L2782 HydrophobicContact CD1-CD2 4.33Å; L2761-L2782 PolarHBondContact N-O 2.99Å; L2761-L2782 PolarHBondContact O-N 3.45Å; L2761-L2784 HydrophobicContact CD1-CD2 3.76Å; L2761-L2784 HydrophobicContact CG-CD2 3.98Å |
| 2762 | H | 93 | Very high | 84.5 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 116.6 | 173.6 | -172.1 | -91.3 | 0 | 0 | 0 | 109.7 | V2716 F2718 C2764 | V2716-H2762 HydrophobicContact CB-CB 4.4Å; V2716-H2762 PolarHBondContact N-O 3.35Å; V2716-H2762 PolarHBondContact O-N 2.82Å; F2718-H2762 HydrophobicContact CD2-CB 3.72Å; F2718-H2762 HydrophobicContact CE2-CB 3.73Å; F2718-H2762 AromaticContact CE2-CG 3.92Å; H2762-C2764 PolarHBondContact CE1-SG 3.35Å; H2762-C2764 PolarHBondContact ND1-SG 3.15Å; H2762-C2764 VanDerWaalsContact ND1-SG 3.43Å |
| 2763 | M | 93.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 124.7 | -174.7 | -65.6 | 172.4 | -84 | 0 | 0 | 110.2 | L2674 I2676 I2693 E2714 V2715 L2779 T2780 L2782 | L2674-M2763 HydrophobicContact CD2-CB 3.83Å; L2674-M2763 HydrophobicContact CD2-CG 4.26Å; L2674-M2763 HydrophobicContact CD2-SD 3.68Å; I2676-M2763 HydrophobicContact CD1-CE 3.74Å; I2676-M2763 HydrophobicContact CD1-SD 3.75Å; I2676-M2763 HydrophobicContact CG2-SD 4.15Å; I2693-M2763 HydrophobicContact CD1-SD 3.83Å; E2714-M2763 CarbonylContact O-C 3.42Å; E2714-M2763 WeakPolarHBondContact O-CA 3.47Å; V2715-M2763 HydrophobicContact CG1-CG 4.05Å; V2715-M2763 HydrophobicContact CG2-CG 4.18Å; M2763-L2779 CarbonylContact O-C 3.55Å; M2763-L2779 VanDerWaalsContact O-CA 3.24Å; M2763-L2779 WeakPolarHBondContact O-CA 3.48Å; M2763-T2780 HydrophobicContact CB-CG2 3.96Å; M2763-T2780 HydrophobicContact CE-CG2 3.9Å; M2763-T2780 PolarHBondContact N-O 2.89Å; M2763-T2780 PolarHBondContact O-N 3.44Å; M2763-L2782 HydrophobicContact CE-CB 3.64Å |
| 2764 | C | 93.2 | Very high | 86 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 122.2 | -179.4 | -63.9 | 0 | 0 | 0 | 0 | 110.5 | I2713 E2714 H2762 K2766 L2776 | I2713-C2764 CarbonylContact C-O 3.58Å; I2713-C2764 WeakPolarHBondContact CA-O 3.22Å; E2714-C2764 HydrophobicContact CB-CB 4.31Å; E2714-C2764 PolarHBondContact N-O 2.99Å; E2714-C2764 PolarHBondContact O-N 2.92Å; H2762-C2764 PolarHBondContact CE1-SG 3.35Å; H2762-C2764 PolarHBondContact ND1-SG 3.15Å; H2762-C2764 VanDerWaalsContact ND1-SG 3.43Å; C2764-K2766 HydrophobicContact CB-CD 4.44Å; C2764-K2766 HydrophobicContact CB-CG 4.29Å; C2764-L2776 HydrophobicContact CB-CD1 3.91Å |
| 2765 | A | 93.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 124.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | L2701 I2713 I2777 G2778 L2820 | L2701-A2765 HydrophobicContact CD2-CB 4.2Å; I2713-A2765 HydrophobicContact CD1-CB 3.62Å; A2765-I2777 HydrophobicContact CB-CB 4.16Å; A2765-I2777 HydrophobicContact CB-CD1 4.39Å; A2765-I2777 WeakPolarHBondContact O-CA 3.37Å; A2765-I2777 VanDerWaalsContact O-CB 3.31Å; A2765-I2777 WeakPolarHBondContact O-CB 3.36Å; A2765-I2777 PolarHBondContact O-N 3.41Å; A2765-G2778 PolarHBondContact N-O 3.01Å; A2765-G2778 PolarHBondContact O-N 2.91Å; A2765-L2820 HydrophobicContact CB-CD1 3.71Å |
| 2766 | K | 92.4 | Very high | 87.2 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 5% | 0.052 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 146.9 | -176.9 | -71.6 | -177.9 | 172.3 | 178 | 0 | 111.4 | P2711 F2712 E2714 C2764 D2774 R2775 L2776 I2777 E2855 | P2711-K2766 CarbonylContact C-O 3.39Å; P2711-K2766 VanDerWaalsContact CA-O 3.3Å; P2711-K2766 WeakPolarHBondContact CA-O 3.49Å; F2712-K2766 HydrophobicContact CD1-CB 4.1Å; F2712-K2766 VanDerWaalsContact CD1-O 3.23Å; F2712-K2766 WeakPolarHBondContact CD1-O 3.39Å; F2712-K2766 HydrophobicContact CE1-CB 3.46Å; F2712-K2766 VanDerWaalsContact CE1-CB 3.46Å; F2712-K2766 HydrophobicContact CE2-CB 4.08Å; F2712-K2766 HydrophobicContact CZ-CB 3.47Å; F2712-K2766 VanDerWaalsContact CZ-CB 3.47Å; F2712-K2766 HydrophobicContact CZ-CD 4.11Å; F2712-K2766 HydrophobicContact CZ-CG 4.36Å; F2712-K2766 PolarHBondContact N-O 2.99Å; F2712-K2766 PolarHBondContact O-N 3.39Å; E2714-K2766 WeakPolarHBondContact OE1-CE 3.46Å; E2714-K2766 IonicContact OE1-NZ 2.87Å; E2714-K2766 PolarHBondContact OE1-NZ 3.44Å; C2764-K2766 HydrophobicContact CB-CD 4.44Å; C2764-K2766 HydrophobicContact CB-CG 4.29Å; K2766-D2774 HydrophobicContact CB-CB 4.41Å; K2766-D2774 HydrophobicContact CD-CB 4.48Å; K2766-R2775 CarbonylContact C-O 3.42Å; K2766-R2775 VanDerWaalsContact CA-O 3.25Å; K2766-R2775 WeakPolarHBondContact CA-O 3.45Å; K2766-L2776 HydrophobicContact CG-CD1 4.32Å; K2766-I2777 VanDerWaalsContact C-CD1 3.45Å; K2766-E2855 WeakPolarHBondContact CE-OE1 3.29Å; K2766-E2855 IonicContact NZ-OE1 3.19Å; K2766-E2855 PolarHBondContact NZ-OE1 3.31Å; K2766-E2855 VanDerWaalsContact NZ-OE1 3.11Å; K2766-E2855 IonicContact NZ-OE2 3.27Å; K2766-E2855 PolarHBondContact NZ-OE2 2.87Å |
| 2767 | D | 90.9 | Very high | 87.6 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 112.9 | 173.5 | -174.3 | 17.4 | 0 | 0 | 0 | 108.9 | W2703 T2705 F2709 K2710 C2769 D2774 R2775 I2777 | W2703-D2767 PolarHBondContact NE1-OD2 3.46Å; T2705-D2767 PolarHBondContact OG1-OD2 3.04Å; F2709-D2767 HydrophobicContact CD2-CB 4.23Å; F2709-D2767 WeakPolarHBondContact CD2-OD1 3.5Å; F2709-D2767 HydrophobicContact CE2-CB 4.14Å; K2710-D2767 PolarHBondContact N-OD1 2.87Å; D2767-C2769 PolarHBondContact O-N 3.4Å; D2767-C2769 PolarHBondContact O-SG 2.74Å; D2767-D2774 WeakPolarHBondContact O-CA 3.36Å; D2767-R2775 HydrophobicContact CB-CB 4.43Å; D2767-R2775 PolarHBondContact N-O 3.4Å; D2767-R2775 PolarHBondContact O-N 3.25Å; D2767-R2775 VanDerWaalsContact O-N 3.13Å; D2767-I2777 HydrophobicContact CB-CD1 4.17Å; D2767-I2777 HydrophobicContact CB-CG1 4.17Å |
| 2768 | Y | 89.7 | Confident | 87.9 | Confident | 90 Ų | 90 | 38.6 Ų | 38.6 | 35% | 0.353 | 20% | 0.199 | S | C | . | . | trans | -67.8 | 112.8 | -178.2 | 176.9 | -101.6 | 0 | 0 | 0 | 110.9 | K2710 F2770 D2774 | K2710-Y2768 HydrophobicContact CD-CD1 4.05Å; K2710-Y2768 WeakPolarHBondContact O-CB 3.47Å; K2710-Y2768 PolarHBondContact O-N 3.16Å; Y2768-F2770 HydrophobicContact CE1-CB 4.14Å; Y2768-D2774 WeakPolarHBondContact CA-OD1 3.39Å; Y2768-D2774 WeakPolarHBondContact CD2-OD1 3.45Å | ||
| 2769 | C | 83.1 | Confident | 88.2 | Confident | 20 Ų | 20 | 38 Ų | 38 | 14% | 0.135 | 20% | 0.195 | C | C | . | . | trans | -110.6 | 96.1 | -176 | -66.6 | 0 | 0 | 0 | 0 | 110.1 | D2767 G2771 R2772 D2774 | D2767-C2769 PolarHBondContact O-N 3.4Å; D2767-C2769 PolarHBondContact O-SG 2.74Å; C2769-G2771 PolarHBondContact O-N 3.4Å; C2769-G2771 VanDerWaalsContact O-N 3.13Å; C2769-R2772 HydrophobicContact CB-CB 3.9Å; C2769-R2772 CarbonylContact O-C 3.52Å; C2769-R2772 PolarHBondContact O-N 3.1Å; C2769-D2774 PolarHBondContact N-OD1 2.89Å | ||
| 2770 | F | 78.3 | Confident | 88.2 | Confident | 172 Ų | 172 | 38.3 Ų | 38.3 | 75% | 0.754 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 121.9 | 177.5 | -175.8 | -97.6 | 0 | 0 | 0 | 111.4 | Y2768 R2772 | Y2768-F2770 HydrophobicContact CE1-CB 4.14Å; F2770-R2772 VanDerWaalsContact C-N 3.3Å; F2770-R2772 PolarHBondContact O-N 3.11Å |
| 2771 | G | 74.1 | Confident | 88.2 | Confident | 79 Ų | 79 | 38.9 Ų | 38.9 | 81% | 0.814 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 6 | -179 | 0 | 0 | 0 | 0 | 0 | 115.7 | C2769 | C2769-G2771 PolarHBondContact O-N 3.4Å; C2769-G2771 VanDerWaalsContact O-N 3.13Å |
| 2772 | R | 78.5 | Confident | 88.1 | Confident | 173 Ų | 173 | 39.8 Ų | 39.8 | 65% | 0.653 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -129.7 | 176.9 | 172.3 | -59 | -179.6 | -178.5 | 173.9 | -0.5 | 109.5 | C2769 F2770 | C2769-R2772 HydrophobicContact CB-CB 3.9Å; C2769-R2772 CarbonylContact O-C 3.52Å; C2769-R2772 PolarHBondContact O-N 3.1Å; F2770-R2772 VanDerWaalsContact C-N 3.3Å; F2770-R2772 PolarHBondContact O-N 3.11Å |
| 2773 | T | 78.1 | Confident | 87.9 | Confident | 117 Ų | 117 | 40.4 Ų | 40.4 | 72% | 0.718 | 21% | 0.208 | S | C | * | . | P | Polyproline II helix | trans | -70.9 | 134.5 | 168 | 46.5 | 0 | 0 | 0 | 0 | 109.8 | R2775 | T2773-R2775 PolarHBondContact O-N 2.93Š|
| 2774 | D | 87.3 | Confident | 87.6 | Confident | 59 Ų | 59 | 40.4 Ų | 40.4 | 32% | 0.316 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -59.4 | 132.4 | 174.1 | -64.8 | -28.3 | 0 | 0 | 0 | 109.6 | F2712 K2766 D2767 Y2768 C2769 | F2712-D2774 HydrophobicContact CE1-CB 4.08Å; F2712-D2774 HydrophobicContact CZ-CB 4.04Å; F2712-D2774 WeakPolarHBondContact CZ-OD2 3.37Å; K2766-D2774 HydrophobicContact CB-CB 4.41Å; K2766-D2774 HydrophobicContact CD-CB 4.48Å; D2767-D2774 WeakPolarHBondContact O-CA 3.36Å; Y2768-D2774 WeakPolarHBondContact CA-OD1 3.39Å; Y2768-D2774 WeakPolarHBondContact CD2-OD1 3.45Å; C2769-D2774 PolarHBondContact N-OD1 2.89Å |
| 2775 | R | 88.6 | Confident | 87.2 | Confident | 68 Ų | 68 | 43.3 Ų | 43.3 | 26% | 0.257 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 129.9 | -173 | -66 | -176.9 | 172.3 | -166.5 | -6.2 | 110.5 | W2703 K2766 D2767 T2773 I2777 | W2703-R2775 HydrophobicContact CH2-CB 4.14Å; W2703-R2775 HydrophobicContact CZ2-CB 3.61Å; W2703-R2775 HydrophobicContact CZ2-CG 4.45Å; K2766-R2775 CarbonylContact C-O 3.42Å; K2766-R2775 VanDerWaalsContact CA-O 3.25Å; K2766-R2775 WeakPolarHBondContact CA-O 3.45Å; D2767-R2775 HydrophobicContact CB-CB 4.43Å; D2767-R2775 PolarHBondContact N-O 3.4Å; D2767-R2775 PolarHBondContact O-N 3.25Å; D2767-R2775 VanDerWaalsContact O-N 3.13Å; T2773-R2775 PolarHBondContact O-N 2.93Å; R2775-I2777 PolarHBondContact O-N 3.29Å |
| 2776 | L | 90 | Very high | 86.7 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 120.8 | 174.6 | -178.7 | 67.3 | 0 | 0 | 0 | 110.6 | W2703 C2764 K2766 L2779 E2855 R2857 | W2703-L2776 VanDerWaalsContact CH2-O 3.25Å; W2703-L2776 WeakPolarHBondContact CH2-O 3.42Å; W2703-L2776 VanDerWaalsContact CZ3-O 3.24Å; W2703-L2776 WeakPolarHBondContact CZ3-O 3.45Å; C2764-L2776 HydrophobicContact CB-CD1 3.91Å; K2766-L2776 HydrophobicContact CG-CD1 4.32Å; L2776-L2779 HydrophobicContact CD1-CB 4.23Å; L2776-L2779 HydrophobicContact CD1-CD2 4.45Å; L2776-L2779 HydrophobicContact CD2-CD2 3.65Å; L2776-L2779 HydrophobicContact CD2-CG 4.27Å; L2776-E2855 HydrophobicContact CD2-CB 4.32Å; L2776-E2855 HydrophobicContact CD2-CG 3.99Å; L2776-R2857 WeakPolarHBondContact O-CG 3.35Å |
| 2777 | I | 89.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -47.4 | 174.3 | -57.9 | 162.9 | 0 | 0 | 0 | 109.7 | V2671 L2701 W2703 F2709 P2711 A2765 K2766 D2767 R2775 R2857 | V2671-I2777 WeakPolarHBondContact CG2-O 3.43Å; L2701-I2777 HydrophobicContact CB-CG2 4.35Å; L2701-I2777 HydrophobicContact CD1-CD1 4.38Å; L2701-I2777 HydrophobicContact CD2-CG2 4.31Å; W2703-I2777 HydrophobicContact CB-CG1 4.43Å; W2703-I2777 HydrophobicContact CB-CG2 3.94Å; W2703-I2777 HydrophobicContact CD2-CB 4.31Å; W2703-I2777 HydrophobicContact CD2-CG1 3.83Å; W2703-I2777 HydrophobicContact CD2-CG2 4.23Å; W2703-I2777 HydrophobicContact CE3-CB 4.12Å; W2703-I2777 HydrophobicContact CE3-CG1 4.12Å; W2703-I2777 HydrophobicContact CE3-CG2 3.99Å; W2703-I2777 HydrophobicContact CG-CG1 3.97Å; W2703-I2777 HydrophobicContact CG-CG2 4.25Å; F2709-I2777 HydrophobicContact CE2-CD1 3.52Å; F2709-I2777 HydrophobicContact CE2-CG1 4.27Å; F2709-I2777 HydrophobicContact CZ-CD1 3.77Å; P2711-I2777 HydrophobicContact CB-CD1 4.2Å; A2765-I2777 HydrophobicContact CB-CB 4.16Å; A2765-I2777 HydrophobicContact CB-CD1 4.39Å; A2765-I2777 WeakPolarHBondContact O-CA 3.37Å; A2765-I2777 VanDerWaalsContact O-CB 3.31Å; A2765-I2777 WeakPolarHBondContact O-CB 3.36Å; A2765-I2777 PolarHBondContact O-N 3.41Å; K2766-I2777 VanDerWaalsContact C-CD1 3.45Å; D2767-I2777 HydrophobicContact CB-CD1 4.17Å; D2767-I2777 HydrophobicContact CB-CG1 4.17Å; R2775-I2777 PolarHBondContact O-N 3.29Å; I2777-R2857 VanDerWaalsContact O-CD 3.23Å; I2777-R2857 WeakPolarHBondContact O-CD 3.49Å; I2777-R2857 PolarHBondContact O-NH1 3.06Å |
| 2778 | G | 90.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175 | 161.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A2765 G2821 | A2765-G2778 PolarHBondContact N-O 3.01Å; A2765-G2778 PolarHBondContact O-N 2.91Å; G2778-G2821 CarbonylContact C-O 3.6Å; G2778-G2821 WeakPolarHBondContact CA-O 3.23Å |
| 2779 | L | 93 | Very high | 83.5 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 158 | -177.7 | 53 | 75.3 | 0 | 0 | 0 | 111.6 | M2763 L2776 L2820 G2821 L2824 | M2763-L2779 CarbonylContact O-C 3.55Å; M2763-L2779 VanDerWaalsContact O-CA 3.24Å; M2763-L2779 WeakPolarHBondContact O-CA 3.48Å; L2776-L2779 HydrophobicContact CD1-CB 4.23Å; L2776-L2779 HydrophobicContact CD1-CD2 4.45Å; L2776-L2779 HydrophobicContact CD2-CD2 3.65Å; L2776-L2779 HydrophobicContact CD2-CG 4.27Å; L2779-L2820 CarbonylContact O-C 3.43Å; L2779-L2820 WeakPolarHBondContact O-CA 3.41Å; L2779-G2821 PolarHBondContact N-O 3.42Å; L2779-G2821 PolarHBondContact O-N 2.96Å; L2779-L2824 HydrophobicContact CD1-CD2 3.32Å; L2779-L2824 HydrophobicContact CD1-CG 3.54Å |
| 2780 | T | 92.1 | Very high | 82.1 | Confident | 5 Ų | 5 | 49.3 Ų | 49.3 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 160 | 174.4 | -171.8 | 0 | 0 | 0 | 0 | 110.1 | M2763 C2818 S2819 L2820 | M2763-T2780 HydrophobicContact CB-CG2 3.96Å; M2763-T2780 HydrophobicContact CE-CG2 3.9Å; M2763-T2780 PolarHBondContact N-O 2.89Å; M2763-T2780 PolarHBondContact O-N 3.44Å; T2780-C2818 HydrophobicContact CG2-CB 3.68Å; T2780-S2819 VanDerWaalsContact CB-O 3.26Å; T2780-S2819 WeakPolarHBondContact CB-O 3.34Å; T2780-S2819 PolarHBondContact OG1-O 2.73Å; T2780-L2820 HydrophobicContact CG2-CD2 3.82Å |
| 2781 | V | 91.4 | Very high | 80.6 | Confident | 13 Ų | 13 | 43.9 Ų | 43.9 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 135.4 | 177.1 | 173 | 0 | 0 | 0 | 0 | 108.6 | Q2662 E2760 L2761 L2824 | Q2662-V2781 HydrophobicContact CB-CB 4.49Å; E2760-V2781 HydrophobicContact CB-CG1 3.89Å; E2760-V2781 HydrophobicContact CG-CG1 4.21Å; E2760-V2781 WeakPolarHBondContact OE2-CG1 3.46Å; L2761-V2781 CarbonylContact O-C 3.51Å; L2761-V2781 VanDerWaalsContact O-CA 3.31Å; L2761-V2781 WeakPolarHBondContact O-CA 3.48Å; V2781-L2824 HydrophobicContact CG2-CD1 4.04Å; V2781-L2824 HydrophobicContact CG2-CD2 3.67Å |
| 2782 | L | 89.6 | Confident | 79 | Confident | 19 Ų | 19 | 47.6 Ų | 47.6 | 10% | 0.099 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 119.9 | 170.6 | 178.1 | 72 | 0 | 0 | 0 | 108.5 | I2676 V2678 E2760 L2761 M2763 L2787 | I2676-L2782 HydrophobicContact CD1-CD2 3.92Å; V2678-L2782 HydrophobicContact CB-CD2 4.44Å; V2678-L2782 HydrophobicContact CG2-CD2 3.75Å; E2760-L2782 CarbonylContact C-O 3.55Å; E2760-L2782 WeakPolarHBondContact CA-O 3.46Å; L2761-L2782 HydrophobicContact CB-CB 4.35Å; L2761-L2782 HydrophobicContact CD1-CD2 4.33Å; L2761-L2782 PolarHBondContact N-O 2.99Å; L2761-L2782 PolarHBondContact O-N 3.45Å; M2763-L2782 HydrophobicContact CE-CB 3.64Å; L2782-L2787 HydrophobicContact CD2-CD1 4.46Å |
| 2783 | Q | 88.2 | Confident | 77.3 | Confident | 12 Ų | 12 | 46.1 Ų | 46.1 | 6% | 0.056 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 133.9 | 177.6 | -55.1 | -158.8 | -2.6 | 0 | 0 | 110.2 | Q2659 R2785 D2786 | Q2659-Q2783 PolarHBondContact O-NE2 3.49Å; Q2783-R2785 HydrophobicContact CB-CG 3.88Å; Q2783-R2785 PolarHBondContact O-N 3.02Å; Q2783-D2786 PolarHBondContact O-N 2.96Å |
| 2784 | L | 87.9 | Confident | 75.3 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -71.9 | -15.1 | 178.8 | -62.7 | -167.3 | 0 | 0 | 0 | 112.3 | V2691 L2717 L2750 P2756 Y2759 L2761 D2786 L2787 A2788 | V2691-L2784 HydrophobicContact CG1-CD1 4.44Å; V2691-L2784 HydrophobicContact CG1-CD2 4.1Å; V2691-L2784 HydrophobicContact CG2-CD1 3.66Å; L2717-L2784 HydrophobicContact CD1-CD1 4.07Å; L2750-L2784 HydrophobicContact CD1-CD1 4.2Å; P2756-L2784 HydrophobicContact CB-CB 4.41Å; P2756-L2784 VanDerWaalsContact O-CB 3.24Å; P2756-L2784 WeakPolarHBondContact O-CB 3.33Å; Y2759-L2784 WeakPolarHBondContact O-CB 3.48Å; Y2759-L2784 PolarHBondContact O-N 2.88Å; L2761-L2784 HydrophobicContact CD1-CD2 3.76Å; L2761-L2784 HydrophobicContact CG-CD2 3.98Å; L2784-D2786 PolarHBondContact O-N 3.36Å; L2784-L2787 HydrophobicContact CD2-CD1 3.75Å; L2784-L2787 PolarHBondContact O-N 2.67Å; L2784-A2788 PolarHBondContact O-N 3.13Å; L2784-A2788 VanDerWaalsContact O-N 3.11Å |
| 2785 | R | 85.4 | Confident | 72.7 | Confident | 62 Ų | 62 | 48.3 Ų | 48.3 | 23% | 0.234 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.8 | -34.5 | 170.5 | 76.9 | 173.9 | 68 | -169.1 | 10.4 | 112.5 | V2656 A2657 E2757 Q2783 L2787 A2788 T2789 | V2656-R2785 PolarHBondContact O-NH2 3.46Å; A2657-R2785 PolarHBondContact O-NH2 3.23Å; A2657-R2785 VanDerWaalsContact O-NH2 3.12Å; E2757-R2785 HydrophobicContact CB-CB 3.94Å; E2757-R2785 HydrophobicContact CG-CB 3.89Å; Q2783-R2785 HydrophobicContact CB-CG 3.88Å; Q2783-R2785 PolarHBondContact O-N 3.02Å; R2785-L2787 PolarHBondContact O-N 3.23Å; R2785-A2788 PolarHBondContact O-N 3.48Å; R2785-T2789 PolarHBondContact O-N 3.06Å; R2785-T2789 VanDerWaalsContact O-N 3.07Å; R2785-T2789 PolarHBondContact O-OG1 3.29Å |
| 2786 | D | 81.1 | Confident | 69.9 | Low | 85 Ų | 85 | 50.5 Ų | 50.5 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -70.5 | -27.5 | -178.7 | -56.9 | -29 | 0 | 0 | 0 | 110.7 | Q2783 L2784 T2789 T2790 | Q2783-D2786 PolarHBondContact O-N 2.96Å; L2784-D2786 PolarHBondContact O-N 3.36Å; D2786-T2789 PolarHBondContact O-OG1 3.22Å; D2786-T2790 PolarHBondContact O-OG1 3.42Å; D2786-T2790 VanDerWaalsContact O-OG1 3.06Å |
| 2787 | L | 76.8 | Confident | 67.2 | Low | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -79.3 | -35.8 | 174.4 | -57.9 | 177.9 | 0 | 0 | 0 | 112 | V2678 L2782 L2784 R2785 T2790 C2814 | V2678-L2787 HydrophobicContact CB-CD1 3.92Å; V2678-L2787 HydrophobicContact CG1-CD1 3.47Å; V2678-L2787 VanDerWaalsContact CG1-CD1 3.47Å; L2782-L2787 HydrophobicContact CD2-CD1 4.46Å; L2784-L2787 HydrophobicContact CD2-CD1 3.75Å; L2784-L2787 PolarHBondContact O-N 2.67Å; R2785-L2787 PolarHBondContact O-N 3.23Å; L2787-T2790 PolarHBondContact O-OG1 3.08Å; L2787-T2790 VanDerWaalsContact O-OG1 3.14Å; L2787-C2814 HydrophobicContact CD2-CB 3.19Å |
| 2788 | A | 69 | Low | 64.5 | Low | 24 Ų | 24 | 62.4 Ų | 62.4 | 20% | 0.198 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -72.1 | -24.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | P2756 L2784 R2785 T2791 | P2756-A2788 HydrophobicContact CB-CB 4.4Å; L2784-A2788 PolarHBondContact O-N 3.13Å; L2784-A2788 VanDerWaalsContact O-N 3.11Å; R2785-A2788 PolarHBondContact O-N 3.48Å; A2788-T2791 PolarHBondContact O-OG1 3.01Å |
| 2789 | T | 60.2 | Low | 61.5 | Low | 64 Ų | 64 | 70.2 Ų | 70.2 | 39% | 0.393 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -84.1 | -27.1 | 178.5 | 31.1 | 0 | 0 | 0 | 0 | 113.4 | R2785 D2786 T2791 E2792 | R2785-T2789 PolarHBondContact O-N 3.06Å; R2785-T2789 VanDerWaalsContact O-N 3.07Å; R2785-T2789 PolarHBondContact O-OG1 3.29Å; D2786-T2789 PolarHBondContact O-OG1 3.22Å; T2789-T2791 PolarHBondContact O-N 3.44Å; T2789-T2791 VanDerWaalsContact O-N 3.11Å; T2789-E2792 PolarHBondContact O-N 3.2Å; T2789-E2792 VanDerWaalsContact O-N 3.11Å |
| 2790 | T | 53.8 | Low | 58.4 | Low | 74 Ų | 74 | 77.4 Ų | 77.4 | 45% | 0.454 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -19.1 | 175.1 | -0.6 | 0 | 0 | 0 | 0 | 114 | D2786 L2787 E2792 | D2786-T2790 PolarHBondContact O-OG1 3.42Å; D2786-T2790 VanDerWaalsContact O-OG1 3.06Å; L2787-T2790 PolarHBondContact O-OG1 3.08Å; L2787-T2790 VanDerWaalsContact O-OG1 3.14Å; T2790-E2792 VanDerWaalsContact C-N 3.28Å; T2790-E2792 PolarHBondContact O-N 3.44Å |
| 2791 | T | 47.9 | Very low | 55.6 | Low | 58 Ų | 58 | 82.7 Ų | 82.7 | 36% | 0.356 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -14.5 | 175.7 | 18 | 0 | 0 | 0 | 0 | 114.4 | A2788 T2789 | A2788-T2791 PolarHBondContact O-OG1 3.01Å; T2789-T2791 PolarHBondContact O-N 3.44Å; T2789-T2791 VanDerWaalsContact O-N 3.11Å |
| 2792 | E | 40.6 | Very low | 52.7 | Low | 157 Ų | 157 | 92.9 Ų | 92.9 | 73% | 0.734 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | -14.2 | -174.8 | -62.8 | -168.3 | 162.8 | 0 | 0 | 114.4 | T2789 T2790 | T2789-E2792 PolarHBondContact O-N 3.2Å; T2789-E2792 VanDerWaalsContact O-N 3.11Å; T2790-E2792 VanDerWaalsContact C-N 3.28Å; T2790-E2792 PolarHBondContact O-N 3.44Å |
| 2793 | L | 43.2 | Very low | 50.1 | Low | 141 Ų | 141 | 99.5 Ų | 99.5 | 74% | 0.738 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -93.8 | -13.1 | -171 | -73.1 | 159 | 0 | 0 | 0 | 115.4 | ||
| 2794 | N | 34.2 | Very low | 47.3 | Very low | 160 Ų | 160 | 102.2 Ų | 102.2 | 86% | 0.856 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -102.7 | 6.4 | 176.4 | -75.8 | -23.4 | 0 | 0 | 0 | 114.3 | ||
| 2795 | A | 34.5 | Very low | 44.6 | Very low | 62 Ų | 62 | 113.6 Ų | 113.6 | 51% | 0.512 | 62% | 0.624 | S | S | . | * | trans | -104.5 | 83.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | P2797 | A2795-P2797 WeakPolarHBondContact O-CD 3.46Š| ||
| 2796 | S | 28.2 | Very low | 42 | Very low | 114 Ų | 114 | 117.4 Ų | 117.4 | 80% | 0.797 | 66% | 0.655 | S | S | * | * | trans | -66.8 | 119 | 162.1 | -87.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 2797 | P | 33.7 | Very low | 39.4 | Very low | 124 Ų | 124 | 116.9 Ų | 116.9 | 81% | 0.805 | 67% | 0.67 | S | S | * | * | trans | -99.5 | 94.1 | 171.1 | 14.3 | 8 | 0 | 0 | 0 | 108.3 | A2795 | A2795-P2797 WeakPolarHBondContact O-CD 3.46Š| ||
| 2798 | T | 33 | Very low | 37.3 | Very low | 133 Ų | 133 | 123.8 Ų | 123.8 | 82% | 0.816 | 71% | 0.712 | S | S | * | * | trans | -72.1 | 142.7 | 151.3 | 48.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 2799 | M | 27.7 | Very low | 35.6 | Very low | 165 Ų | 165 | 126.1 Ų | 126.1 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -51.3 | 157 | -170.4 | -57.4 | -162.5 | 106.6 | 0 | 0 | 116.6 | ||
| 2800 | N | 29.2 | Very low | 34.7 | Very low | 151 Ų | 151 | 131 Ų | 131 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | trans | 69.3 | 107.9 | 156 | -58.1 | -24.2 | 0 | 0 | 0 | 117.9 | ||||
| 2801 | S | 31.2 | Very low | 34.6 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | 178.1 | 128.8 | 117.4 | -167.4 | 0 | 0 | 0 | 0 | 110.8 | D2803 | S2801-D2803 PolarHBondContact O-N 3.35Š| |||
| 2802 | R | 31 | Very low | 35.3 | Very low | 227 Ų | 227 | 128.1 Ų | 128.1 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | trans | -57.7 | 122.8 | 154.7 | -81 | 170.4 | 166.2 | 163 | -5.1 | 107.4 | ||||
| 2803 | D | 35.6 | Very low | 36.8 | Very low | 158 Ų | 158 | 123.2 Ų | 123.2 | 85% | 0.845 | 73% | 0.729 | S | S | * | * | 178.6 | 131.6 | 125.9 | -87.5 | -23.1 | 0 | 0 | 0 | 111.8 | S2801 | S2801-D2803 PolarHBondContact O-N 3.35Š| |||
| 2804 | G | 29.9 | Very low | 38.5 | Very low | 70 Ų | 70 | 118.2 Ų | 118.2 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | trans | 51.9 | 96.9 | 135.5 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 2805 | R | 30.6 | Very low | 41 | Very low | 238 Ų | 238 | 114.2 Ų | 114.2 | 90% | 0.898 | 70% | 0.695 | S | S | * | * | 54.9 | 101.3 | 115.6 | -156.8 | -176.2 | -152 | 169.4 | 4.8 | 116.3 | |||||
| 2806 | T | 30.6 | Very low | 43.4 | Very low | 143 Ų | 143 | 112.7 Ų | 112.7 | 88% | 0.877 | 68% | 0.68 | S | S | * | * | 171.4 | 144.4 | 117.4 | 38.5 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 2807 | G | 27.3 | Very low | 46.4 | Very low | 74 Ų | 74 | 112.4 Ų | 112.4 | 76% | 0.763 | 67% | 0.668 | S | S | * | * | trans | -83.5 | 166.7 | -161.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 2808 | V | 31.5 | Very low | 49 | Very low | 147 Ų | 147 | 107.2 Ų | 107.2 | 89% | 0.891 | 64% | 0.635 | S | S | * | * | trans | -155.1 | 133.5 | 140.6 | 177.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 2809 | G | 33.7 | Very low | 51.8 | Low | 72 Ų | 72 | 102.8 Ų | 102.8 | 74% | 0.742 | 61% | 0.609 | S | S | * | * | trans | -66.2 | 133.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S2811 | G2809-S2811 PolarHBondContact O-N 2.91Š| ||
| 2810 | Q | 40.7 | Very low | 54.9 | Low | 166 Ų | 166 | 94.9 Ų | 94.9 | 78% | 0.776 | 57% | 0.57 | S | S | * | * | trans | -86.1 | 99.7 | 174.9 | -70.7 | 172.8 | -10.7 | 0 | 0 | 109.3 | ||||
| 2811 | S | 51.5 | Low | 57.7 | Low | 63 Ų | 63 | 87.7 Ų | 87.7 | 44% | 0.441 | 53% | 0.532 | S | S | . | . | trans | -94.3 | 120.8 | 175.8 | -149.6 | 0 | 0 | 0 | 0 | 108.6 | G2809 A2813 | G2809-S2811 PolarHBondContact O-N 2.91Å; S2811-A2813 PolarHBondContact O-N 2.93Å; S2811-A2813 VanDerWaalsContact O-N 3.13Å | ||
| 2812 | G | 63.2 | Low | 60.5 | Low | 9 Ų | 9 | 86.2 Ų | 86.2 | 9% | 0.093 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 88 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | L2680 | L2680-G2812 PolarHBondContact N-O 3.4Å; L2680-G2812 PolarHBondContact O-N 2.94Å |
| 2813 | A | 72.6 | Confident | 63.2 | Low | 54 Ų | 54 | 82.9 Ų | 82.9 | 45% | 0.446 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 127.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V2678 D2679 S2811 | V2678-A2813 CarbonylContact O-C 3.26Å; V2678-A2813 WeakPolarHBondContact O-CA 3.48Å; D2679-A2813 WeakPolarHBondContact OD1-CA 3.25Å; D2679-A2813 WeakPolarHBondContact OD1-CB 3.37Å; S2811-A2813 PolarHBondContact O-N 2.93Å; S2811-A2813 VanDerWaalsContact O-N 3.13Å |
| 2814 | C | 79.3 | Confident | 65.7 | Low | 37 Ų | 37 | 76 Ų | 76 | 25% | 0.25 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 119.8 | 173.1 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | H2677 V2678 L2787 | H2677-C2814 CarbonylContact C-O 3.58Å; H2677-C2814 WeakPolarHBondContact CA-O 3.43Å; V2678-C2814 PolarHBondContact N-O 2.88Å; V2678-C2814 PolarHBondContact O-N 3.46Å; L2787-C2814 HydrophobicContact CD2-CB 3.19Å |
| 2815 | A | 85.4 | Confident | 68.5 | Low | 76 Ų | 76 | 76.5 Ų | 76.5 | 63% | 0.628 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 116.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | I2676 | I2676-A2815 WeakPolarHBondContact O-CA 3.44Å |
| 2816 | C | 86.7 | Confident | 71.1 | Confident | 29 Ų | 29 | 65.7 Ų | 65.7 | 20% | 0.196 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 155.2 | -179 | 61.7 | 0 | 0 | 0 | 0 | 112.3 | I2676 | I2676-C2816 WeakPolarHBondContact CG1-O 3.36Å; I2676-C2816 PolarHBondContact N-O 3.22Å; I2676-C2816 PolarHBondContact O-N 2.87Å |
| 2817 | I | 89.4 | Confident | 73.6 | Confident | 108 Ų | 108 | 61.6 Ų | 61.6 | 55% | 0.554 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 110.6 | 171.5 | -59.4 | 176.3 | 0 | 0 | 0 | 106.3 | E2673 L2674 | E2673-I2817 HydrophobicContact CB-CG2 3.73Å; E2673-I2817 HydrophobicContact CG-CG2 4.1Å; L2674-I2817 CarbonylContact O-C 3.55Å; L2674-I2817 WeakPolarHBondContact O-CA 3.42Å |
| 2818 | C | 89.3 | Confident | 75.8 | Confident | 16 Ų | 16 | 64.5 Ų | 64.5 | 11% | 0.108 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 124 | 178 | -60.6 | 0 | 0 | 0 | 0 | 110.1 | E2673 L2674 T2780 | E2673-C2818 CarbonylContact C-O 3.57Å; E2673-C2818 WeakPolarHBondContact CA-O 3.36Å; L2674-C2818 PolarHBondContact N-O 2.87Å; L2674-C2818 PolarHBondContact O-N 3.27Å; T2780-C2818 HydrophobicContact CG2-CB 3.68Å |
| 2819 | S | 91.6 | Very high | 78.2 | Confident | 39 Ų | 39 | 59.2 Ų | 59.2 | 27% | 0.273 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 139.1 | 169.1 | -63.4 | 0 | 0 | 0 | 0 | 110.4 | A2666 T2780 | A2666-S2819 WeakPolarHBondContact CB-O 3.46Å; A2666-S2819 WeakPolarHBondContact O-CB 3.43Å; T2780-S2819 VanDerWaalsContact CB-O 3.26Å; T2780-S2819 WeakPolarHBondContact CB-O 3.34Å; T2780-S2819 PolarHBondContact OG1-O 2.73Å |
| 2820 | L | 92 | Very high | 80.6 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -94.9 | 129.7 | 174.9 | -64.7 | 168.7 | 0 | 0 | 0 | 109.1 | S2670 V2671 G2672 L2674 L2701 A2765 L2779 T2780 | S2670-L2820 CarbonylContact C-O 3.15Å; S2670-L2820 WeakPolarHBondContact CA-O 3.32Å; V2671-L2820 HydrophobicContact CG2-CB 3.98Å; V2671-L2820 WeakPolarHBondContact CG2-O 3.36Å; V2671-L2820 PolarHBondContact N-O 2.7Å; G2672-L2820 WeakPolarHBondContact O-CB 3.47Å; G2672-L2820 PolarHBondContact O-N 2.81Å; L2674-L2820 HydrophobicContact CB-CD2 4.29Å; L2674-L2820 HydrophobicContact CB-CG 4.37Å; L2701-L2820 HydrophobicContact CD2-CD1 3.56Å; A2765-L2820 HydrophobicContact CB-CD1 3.71Å; L2779-L2820 CarbonylContact O-C 3.43Å; L2779-L2820 WeakPolarHBondContact O-CA 3.41Å; T2780-L2820 HydrophobicContact CG2-CD2 3.82Å |
| 2821 | G | 88.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -104.3 | 167.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A2666 G2778 L2779 | A2666-G2821 VanDerWaalsContact CB-N 3.28Å; G2778-G2821 CarbonylContact C-O 3.6Å; G2778-G2821 WeakPolarHBondContact CA-O 3.23Å; L2779-G2821 PolarHBondContact N-O 3.42Å; L2779-G2821 PolarHBondContact O-N 2.96Å |
| 2822 | K | 89.1 | Confident | 83.9 | Confident | 84 Ų | 84 | 50.1 Ų | 50.1 | 37% | 0.365 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -77.3 | -22.8 | 176 | -61.6 | 179.7 | 178.8 | 160.6 | 0 | 113.5 | D2669 V2671 R2857 | D2669-K2822 IonicContact OD1-NZ 2.8Å; D2669-K2822 VanDerWaalsContact OD2-CE 3.25Å; D2669-K2822 WeakPolarHBondContact OD2-CE 3.35Å; D2669-K2822 IonicContact OD2-NZ 2.73Å; D2669-K2822 PolarHBondContact OD2-NZ 3.09Å; V2671-K2822 HydrophobicContact CG1-CD 4.25Å; V2671-K2822 HydrophobicContact CG1-CG 3.58Å; K2822-R2857 HydrophobicContact CB-CB 4.08Å; K2822-R2857 HydrophobicContact CG-CB 4.48Å; K2822-R2857 WeakPolarHBondContact O-CB 3.45Å; K2822-R2857 PolarHBondContact O-N 3.38Å |
| 2823 | R | 87.8 | Confident | 84.9 | Confident | 157 Ų | 157 | 49.7 Ų | 49.7 | 59% | 0.592 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -159.7 | 164.6 | -177.7 | 64.4 | 176.5 | -179.7 | 176 | 0.8 | 109.5 | P2665 V2856 | P2665-R2823 HydrophobicContact CB-CG 4.35Å; P2665-R2823 HydrophobicContact CG-CG 4.49Å; R2823-V2856 HydrophobicContact CB-CG1 4.41Å; R2823-V2856 HydrophobicContact CB-CG2 4.21Å |
| 2824 | L | 88.7 | Confident | 85.4 | Confident | 14 Ų | 14 | 47.1 Ų | 47.1 | 7% | 0.073 | 25% | 0.246 | C | C | . | . | trans | -85.3 | 154.2 | 168.1 | -63 | 177.3 | 0 | 0 | 0 | 111.5 | Q2662 L2779 V2781 K2853 | Q2662-L2824 HydrophobicContact CB-CD2 4.33Å; L2779-L2824 HydrophobicContact CD1-CD2 3.32Å; L2779-L2824 HydrophobicContact CD1-CG 3.54Å; V2781-L2824 HydrophobicContact CG2-CD1 4.04Å; V2781-L2824 HydrophobicContact CG2-CD2 3.67Å; L2824-K2853 HydrophobicContact CD1-CD 3.54Å | ||
| 2825 | H | 88.1 | Confident | 85.4 | Confident | 80 Ų | 80 | 47.9 Ų | 47.9 | 37% | 0.37 | 24% | 0.243 | S | C | . | . | trans | -94.9 | 129.6 | 167.3 | 178 | 77.7 | 0 | 0 | 0 | 110.1 | Q2662 K2664 P2665 | Q2662-H2825 WeakPolarHBondContact CA-O 3.49Å; Q2662-H2825 PolarHBondContact O-N 2.69Å; K2664-H2825 HydrophobicContact CB-CB 4.31Å; P2665-H2825 HydrophobicContact CG-CB 3.62Å | ||
| 2826 | L | 85.3 | Confident | 85.1 | Confident | 11 Ų | 11 | 44.4 Ų | 44.4 | 6% | 0.058 | 21% | 0.214 | C | C | . | . | trans | -129.8 | 137.8 | 179.5 | -57.7 | 177.7 | 0 | 0 | 0 | 109.4 | F2655 Q2659 Q2662 W2831 L2834 | F2655-L2826 HydrophobicContact CE1-CD2 4.16Å; F2655-L2826 HydrophobicContact CE2-CD1 4.46Å; F2655-L2826 HydrophobicContact CE2-CD2 3.99Å; F2655-L2826 HydrophobicContact CZ-CD1 4.3Å; F2655-L2826 HydrophobicContact CZ-CD2 3.35Å; F2655-L2826 HydrophobicContact CZ-CG 4.47Å; Q2659-L2826 HydrophobicContact CG-CD2 4.15Å; Q2662-L2826 HydrophobicContact CG-CD2 4.3Å; L2826-W2831 HydrophobicContact CB-CD2 4.43Å; L2826-W2831 HydrophobicContact CB-CG 4.5Å; L2826-W2831 HydrophobicContact CB-CZ2 4.42Å; L2826-W2831 HydrophobicContact CD1-CH2 4.49Å; L2826-W2831 HydrophobicContact CD1-CZ2 4.38Å; L2826-W2831 PolarHBondContact O-NE1 2.92Å; L2826-W2831 VanDerWaalsContact O-NE1 3.12Å; L2826-L2834 HydrophobicContact CD1-CD1 3.22Å; L2826-L2834 HydrophobicContact CD1-CG 4.48Å | ||
| 2827 | D | 83 | Confident | 84.9 | Confident | 57 Ų | 57 | 43 Ų | 43 | 31% | 0.305 | 21% | 0.205 | S | C | . | . | trans | -81.3 | 175.9 | 172.9 | 69.8 | 32.8 | 0 | 0 | 0 | 111.9 | Q2659 T2829 G2830 W2831 | Q2659-D2827 PolarHBondContact NE2-OD1 3.02Å; Q2659-D2827 PolarHBondContact NE2-OD2 3.24Å; D2827-T2829 PolarHBondContact O-N 3.48Å; D2827-T2829 VanDerWaalsContact OD1-CA 3.31Å; D2827-T2829 WeakPolarHBondContact OD1-CA 3.31Å; D2827-T2829 VanDerWaalsContact OD1-CB 3.24Å; D2827-T2829 WeakPolarHBondContact OD1-CB 3.17Å; D2827-T2829 PolarHBondContact OD1-N 3.06Å; D2827-G2830 PolarHBondContact O-N 3.47Å; D2827-G2830 VanDerWaalsContact O-N 3.09Å; D2827-G2830 PolarHBondContact OD1-N 2.94Å; D2827-W2831 PolarHBondContact O-N 3.28Å | ||
| 2828 | D | 74.2 | Confident | 84.6 | Confident | 136 Ų | 136 | 39.4 Ų | 39.4 | 73% | 0.727 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -58.7 | -32.2 | -178.9 | -66.4 | -30.5 | 0 | 0 | 0 | 112.9 | T2832 | D2828-T2832 WeakPolarHBondContact O-CB 3.41Å; D2828-T2832 PolarHBondContact O-N 3.11Å; D2828-T2832 PolarHBondContact O-OG1 3.5Å |
| 2829 | T | 81.4 | Confident | 83.9 | Confident | 35 Ų | 35 | 41.3 Ų | 41.3 | 22% | 0.215 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.8 | -43.4 | 176.1 | -52.2 | 0 | 0 | 0 | 0 | 110.3 | Y2639 L2643 T2658 D2827 W2831 T2832 I2833 | Y2639-T2829 HydrophobicContact CE1-CG2 4.44Å; L2643-T2829 HydrophobicContact CD1-CG2 4.45Å; T2658-T2829 HydrophobicContact CG2-CG2 4.15Å; D2827-T2829 PolarHBondContact O-N 3.48Å; D2827-T2829 VanDerWaalsContact OD1-CA 3.31Å; D2827-T2829 WeakPolarHBondContact OD1-CA 3.31Å; D2827-T2829 VanDerWaalsContact OD1-CB 3.24Å; D2827-T2829 WeakPolarHBondContact OD1-CB 3.17Å; D2827-T2829 PolarHBondContact OD1-N 3.06Å; T2829-W2831 VanDerWaalsContact C-N 3.34Å; T2829-W2831 PolarHBondContact O-N 3.08Å; T2829-T2832 PolarHBondContact O-N 3.49Å; T2829-I2833 HydrophobicContact CG2-CD1 3.89Å; T2829-I2833 HydrophobicContact CG2-CG1 4.38Å; T2829-I2833 WeakPolarHBondContact O-CB 3.26Å; T2829-I2833 VanDerWaalsContact O-CG1 3.28Å; T2829-I2833 WeakPolarHBondContact O-CG1 3.35Å; T2829-I2833 PolarHBondContact O-N 3.43Å |
| 2830 | G | 83.7 | Confident | 83.4 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60 | -42.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D2827 L2834 | D2827-G2830 PolarHBondContact O-N 3.47Å; D2827-G2830 VanDerWaalsContact O-N 3.09Å; D2827-G2830 PolarHBondContact OD1-N 2.94Å; G2830-L2834 WeakPolarHBondContact O-CB 3.46Å; G2830-L2834 WeakPolarHBondContact O-CG 3.39Å; G2830-L2834 PolarHBondContact O-N 2.92Å |
| 2831 | W | 82 | Confident | 82.4 | Confident | 98 Ų | 98 | 46.2 Ų | 46.2 | 37% | 0.371 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.2 | -41.9 | 172.9 | -74.5 | 112.8 | 0 | 0 | 0 | 112.7 | F2549 L2826 D2827 T2829 L2834 R2835 | F2549-W2831 HydrophobicContact CE2-CZ3 4.45Å; L2826-W2831 HydrophobicContact CB-CD2 4.43Å; L2826-W2831 HydrophobicContact CB-CG 4.5Å; L2826-W2831 HydrophobicContact CB-CZ2 4.42Å; L2826-W2831 HydrophobicContact CD1-CH2 4.49Å; L2826-W2831 HydrophobicContact CD1-CZ2 4.38Å; L2826-W2831 PolarHBondContact O-NE1 2.92Å; L2826-W2831 VanDerWaalsContact O-NE1 3.12Å; D2827-W2831 PolarHBondContact O-N 3.28Å; T2829-W2831 VanDerWaalsContact C-N 3.34Å; T2829-W2831 PolarHBondContact O-N 3.08Å; W2831-L2834 HydrophobicContact CE3-CD1 4.49Å; W2831-L2834 PolarHBondContact O-N 2.67Å; W2831-R2835 WeakPolarHBondContact O-CB 3.14Å; W2831-R2835 PolarHBondContact O-N 3.17Å |
| 2832 | T | 79.5 | Confident | 81.8 | Confident | 13 Ų | 13 | 55 Ų | 55 | 8% | 0.08 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 176.8 | -61.7 | 0 | 0 | 0 | 0 | 110.9 | L2539 L2643 D2828 T2829 R2835 I2836 | L2539-T2832 HydrophobicContact CD2-CG2 3.66Å; L2643-T2832 HydrophobicContact CD1-CG2 3.86Å; D2828-T2832 WeakPolarHBondContact O-CB 3.41Å; D2828-T2832 PolarHBondContact O-N 3.11Å; D2828-T2832 PolarHBondContact O-OG1 3.5Å; T2829-T2832 PolarHBondContact O-N 3.49Å; T2832-R2835 WeakPolarHBondContact O-CB 3.35Å; T2832-R2835 PolarHBondContact O-N 3.14Å; T2832-I2836 HydrophobicContact CG2-CD1 4.01Å; T2832-I2836 VanDerWaalsContact O-CG1 3.31Å; T2832-I2836 WeakPolarHBondContact O-CG1 3.3Å; T2832-I2836 PolarHBondContact O-N 3.23Å |
| 2833 | I | 85.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 176.8 | -68.4 | 169.3 | 0 | 0 | 0 | 110.9 | L2651 N2654 F2655 T2829 R2835 I2836 L2837 | L2651-I2833 HydrophobicContact CB-CG2 3.99Å; L2651-I2833 HydrophobicContact CD2-CG1 4.21Å; L2651-I2833 HydrophobicContact CD2-CG2 4.27Å; N2654-I2833 HydrophobicContact CB-CD1 4.12Å; F2655-I2833 HydrophobicContact CB-CD1 4.16Å; F2655-I2833 HydrophobicContact CB-CG2 4.09Å; F2655-I2833 HydrophobicContact CD2-CB 4.19Å; F2655-I2833 HydrophobicContact CD2-CG2 4.03Å; T2829-I2833 HydrophobicContact CG2-CD1 3.89Å; T2829-I2833 HydrophobicContact CG2-CG1 4.38Å; T2829-I2833 WeakPolarHBondContact O-CB 3.26Å; T2829-I2833 VanDerWaalsContact O-CG1 3.28Å; T2829-I2833 WeakPolarHBondContact O-CG1 3.35Å; T2829-I2833 PolarHBondContact O-N 3.43Å; I2833-R2835 VanDerWaalsContact C-N 3.27Å; I2833-R2835 PolarHBondContact O-N 3.3Å; I2833-I2836 PolarHBondContact O-N 3.14Å; I2833-I2836 VanDerWaalsContact O-N 3.16Å; I2833-L2837 HydrophobicContact CG2-CD1 3.75Å; I2833-L2837 HydrophobicContact CG2-CG 4.15Å; I2833-L2837 WeakPolarHBondContact O-CB 3.12Å; I2833-L2837 WeakPolarHBondContact O-CG 3.22Å; I2833-L2837 PolarHBondContact O-N 3.35Å |
| 2834 | L | 83.3 | Confident | 81.3 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.9 | -38.1 | 175.9 | -83.8 | 175.5 | 0 | 0 | 0 | 112.6 | F2655 L2826 G2830 W2831 L2837 S2838 F2849 V2850 K2853 | F2655-L2834 HydrophobicContact CE2-CD1 4.18Å; F2655-L2834 HydrophobicContact CE2-CD2 4.44Å; F2655-L2834 HydrophobicContact CE2-CG 3.85Å; L2826-L2834 HydrophobicContact CD1-CD1 3.22Å; L2826-L2834 HydrophobicContact CD1-CG 4.48Å; G2830-L2834 WeakPolarHBondContact O-CB 3.46Å; G2830-L2834 WeakPolarHBondContact O-CG 3.39Å; G2830-L2834 PolarHBondContact O-N 2.92Å; W2831-L2834 HydrophobicContact CE3-CD1 4.49Å; W2831-L2834 PolarHBondContact O-N 2.67Å; L2834-L2837 PolarHBondContact O-N 2.96Å; L2834-S2838 WeakPolarHBondContact O-CB 3.45Å; L2834-S2838 PolarHBondContact O-N 3.28Å; L2834-S2838 PolarHBondContact O-OG 2.91Å; L2834-F2849 HydrophobicContact CD2-CD1 3.98Å; L2834-F2849 HydrophobicContact CD2-CE1 3.96Å; L2834-V2850 HydrophobicContact CD2-CB 4.43Å; L2834-V2850 HydrophobicContact CD2-CG2 4Å; L2834-K2853 HydrophobicContact CD1-CB 4.21Å; L2834-K2853 HydrophobicContact CD2-CB 3.89Å; L2834-K2853 HydrophobicContact CD2-CG 4.5Å |
| 2835 | R | 77.7 | Confident | 81.1 | Confident | 52 Ų | 52 | 53.1 Ų | 53.1 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.9 | -40 | 175.8 | -174.1 | -178 | -65.9 | 147.8 | 2.3 | 111.8 | M2548 W2831 T2832 I2833 S2838 Q2839 | M2548-R2835 HydrophobicContact CE-CG 3.87Å; M2548-R2835 HydrophobicContact SD-CG 4.03Å; W2831-R2835 WeakPolarHBondContact O-CB 3.14Å; W2831-R2835 PolarHBondContact O-N 3.17Å; T2832-R2835 WeakPolarHBondContact O-CB 3.35Å; T2832-R2835 PolarHBondContact O-N 3.14Å; I2833-R2835 VanDerWaalsContact C-N 3.27Å; I2833-R2835 PolarHBondContact O-N 3.3Å; R2835-S2838 PolarHBondContact O-OG 3.28Å; R2835-Q2839 WeakPolarHBondContact O-CG 3.26Å |
| 2836 | I | 79.8 | Confident | 81 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.1 | -42.9 | 175.6 | -63.8 | 163.7 | 0 | 0 | 0 | 110.2 | L2643 Y2644 L2651 T2832 I2833 Q2839 | L2643-I2836 HydrophobicContact CB-CD1 3.59Å; Y2644-I2836 HydrophobicContact CD1-CG1 4.16Å; Y2644-I2836 HydrophobicContact CD2-CD1 4.23Å; Y2644-I2836 HydrophobicContact CE1-CG1 4.02Å; Y2644-I2836 HydrophobicContact CE2-CD1 4.37Å; Y2644-I2836 HydrophobicContact CE2-CG1 4.41Å; Y2644-I2836 HydrophobicContact CG-CD1 4.32Å; Y2644-I2836 HydrophobicContact CG-CG1 4.41Å; L2651-I2836 HydrophobicContact CD1-CB 4.21Å; L2651-I2836 HydrophobicContact CD1-CG2 3.5Å; L2651-I2836 VanDerWaalsContact CD1-CG2 3.5Å; T2832-I2836 HydrophobicContact CG2-CD1 4.01Å; T2832-I2836 VanDerWaalsContact O-CG1 3.31Å; T2832-I2836 WeakPolarHBondContact O-CG1 3.3Å; T2832-I2836 PolarHBondContact O-N 3.23Å; I2833-I2836 PolarHBondContact O-N 3.14Å; I2833-I2836 VanDerWaalsContact O-N 3.16Å; I2836-Q2839 WeakPolarHBondContact O-CB 3.34Å; I2836-Q2839 PolarHBondContact O-N 2.9Å |
| 2837 | L | 83.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.3 | -34.7 | 178.9 | -72.6 | 175.8 | 0 | 0 | 0 | 112.8 | T2648 L2651 I2652 I2833 L2834 Q2839 R2840 A2846 F2849 V2850 | T2648-L2837 HydrophobicContact CG2-CD2 3.82Å; L2651-L2837 HydrophobicContact CB-CD1 4.43Å; L2651-L2837 HydrophobicContact CB-CD2 3.93Å; L2651-L2837 HydrophobicContact CB-CG 4.22Å; L2651-L2837 HydrophobicContact CD1-CD2 3.75Å; L2651-L2837 HydrophobicContact CD1-CG 4.11Å; I2652-L2837 HydrophobicContact CG1-CD1 4.04Å; I2833-L2837 HydrophobicContact CG2-CD1 3.75Å; I2833-L2837 HydrophobicContact CG2-CG 4.15Å; I2833-L2837 WeakPolarHBondContact O-CB 3.12Å; I2833-L2837 WeakPolarHBondContact O-CG 3.22Å; I2833-L2837 PolarHBondContact O-N 3.35Å; L2834-L2837 PolarHBondContact O-N 2.96Å; L2837-Q2839 PolarHBondContact O-N 3.3Å; L2837-R2840 WeakPolarHBondContact O-CB 3.35Å; L2837-R2840 PolarHBondContact O-N 2.95Å; L2837-A2846 HydrophobicContact CB-CB 4.5Å; L2837-A2846 HydrophobicContact CD2-CB 4.14Å; L2837-F2849 HydrophobicContact CD1-CD1 3.6Å; L2837-F2849 HydrophobicContact CD1-CE1 3.78Å; L2837-F2849 HydrophobicContact CD1-CG 4.48Å; L2837-V2850 HydrophobicContact CB-CG2 3.66Å |
| 2838 | S | 81.1 | Confident | 81.1 | Confident | 32 Ų | 32 | 52.6 Ų | 52.6 | 22% | 0.224 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.2 | -22 | 178.5 | 69.2 | 0 | 0 | 0 | 0 | 112.9 | L2834 R2835 R2840 | L2834-S2838 WeakPolarHBondContact O-CB 3.45Å; L2834-S2838 PolarHBondContact O-N 3.28Å; L2834-S2838 PolarHBondContact O-OG 2.91Å; R2835-S2838 PolarHBondContact O-OG 3.28Å; S2838-R2840 VanDerWaalsContact C-N 3.25Å; S2838-R2840 PolarHBondContact O-N 3.5Å |
| 2839 | Q | 76.1 | Confident | 81.8 | Confident | 56 Ų | 56 | 46.1 Ų | 46.1 | 26% | 0.262 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -13.3 | 174.7 | -61.8 | 171 | 13.8 | 0 | 0 | 112.4 | N2596 R2835 I2836 L2837 S2841 | N2596-Q2839 VanDerWaalsContact OD1-CD 3.22Å; N2596-Q2839 PolarHBondContact OD1-NE2 3.29Å; R2835-Q2839 WeakPolarHBondContact O-CG 3.26Å; I2836-Q2839 WeakPolarHBondContact O-CB 3.34Å; I2836-Q2839 PolarHBondContact O-N 2.9Å; L2837-Q2839 PolarHBondContact O-N 3.3Å; Q2839-S2841 VanDerWaalsContact C-N 3.33Å; Q2839-S2841 PolarHBondContact O-N 3.47Å |
| 2840 | R | 80.4 | Confident | 82.1 | Confident | 60 Ų | 60 | 44.6 Ų | 44.6 | 23% | 0.226 | 21% | 0.211 | C | C | . | . | trans | -92.7 | 57 | 178.8 | -58.4 | -171 | 175.6 | 164.3 | 6.1 | 111.7 | Q2646 T2647 T2648 L2837 S2838 Q2842 D2843 A2846 | Q2646-R2840 PolarHBondContact O-NH1 3.48Å; Q2646-R2840 PolarHBondContact O-NH2 3Å; T2647-R2840 PolarHBondContact O-NH1 3.27Å; T2648-R2840 VanDerWaalsContact OG1-CD 3.32Å; T2648-R2840 WeakPolarHBondContact OG1-CD 3.35Å; T2648-R2840 PolarHBondContact OG1-NH1 3.16Å; L2837-R2840 WeakPolarHBondContact O-CB 3.35Å; L2837-R2840 PolarHBondContact O-N 2.95Å; S2838-R2840 VanDerWaalsContact C-N 3.25Å; S2838-R2840 PolarHBondContact O-N 3.5Å; R2840-Q2842 PolarHBondContact O-N 3.03Å; R2840-Q2842 VanDerWaalsContact O-N 3.14Å; R2840-D2843 HydrophobicContact CB-CB 4.09Å; R2840-D2843 PolarHBondContact O-N 2.91Å; R2840-A2846 HydrophobicContact CB-CB 3.94Å | ||
| 2841 | S | 70.3 | Confident | 82.2 | Confident | 81 Ų | 81 | 48.8 Ų | 48.8 | 57% | 0.566 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -26.3 | -175.9 | 58.8 | 0 | 0 | 0 | 0 | 114.4 | Q2839 D2843 R2847 | Q2839-S2841 VanDerWaalsContact C-N 3.33Å; Q2839-S2841 PolarHBondContact O-N 3.47Å; S2841-D2843 VanDerWaalsContact C-N 3.35Å; S2841-R2847 PolarHBondContact O-NE 3.41Å; S2841-R2847 VanDerWaalsContact O-NE 3.12Å; S2841-R2847 PolarHBondContact O-NH2 2.88Å |
| 2842 | Q | 77.1 | Confident | 82.4 | Confident | 184 Ų | 184 | 44.1 Ų | 44.1 | 86% | 0.86 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75 | -21.5 | 176.8 | -62.5 | -172.2 | -0.7 | 0 | 0 | 113.4 | R2840 | R2840-Q2842 PolarHBondContact O-N 3.03Å; R2840-Q2842 VanDerWaalsContact O-N 3.14Å |
| 2843 | D | 81.8 | Confident | 82.9 | Confident | 46 Ų | 46 | 43.8 Ų | 43.8 | 25% | 0.246 | 21% | 0.207 | C | C | . | . | trans | -88.1 | 113.7 | -179.9 | -175.9 | -28.6 | 0 | 0 | 0 | 109.7 | T2648 R2840 S2841 I2845 A2846 R2847 | T2648-D2843 WeakPolarHBondContact CB-OD2 3.29Å; T2648-D2843 VanDerWaalsContact CG2-OD2 3.22Å; T2648-D2843 WeakPolarHBondContact CG2-OD2 3.38Å; T2648-D2843 PolarHBondContact OG1-OD2 2.73Å; R2840-D2843 HydrophobicContact CB-CB 4.09Å; R2840-D2843 PolarHBondContact O-N 2.91Å; S2841-D2843 VanDerWaalsContact C-N 3.35Å; D2843-I2845 VanDerWaalsContact C-N 3.32Å; D2843-I2845 PolarHBondContact O-N 3.38Å; D2843-I2845 PolarHBondContact OD1-N 3.47Å; D2843-A2846 HydrophobicContact CB-CB 3.78Å; D2843-A2846 PolarHBondContact O-N 3.37Å; D2843-A2846 PolarHBondContact OD1-N 2.86Å; D2843-A2846 VanDerWaalsContact OD1-N 3.13Å; D2843-R2847 WeakPolarHBondContact O-CB 3.48Å; D2843-R2847 PolarHBondContact O-N 2.85Å | ||
| 2844 | E | 84.3 | Confident | 82.8 | Confident | 143 Ų | 143 | 45.1 Ų | 45.1 | 67% | 0.668 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -63.6 | -36.9 | -176.4 | -61.7 | -158.9 | 140.6 | 0 | 0 | 112.7 | R2847 E2848 | E2844-R2847 PolarHBondContact O-N 3.26Å; E2844-R2847 IonicContact OE1-NH1 2.75Å; E2844-E2848 PolarHBondContact O-N 3.12Å |
| 2845 | I | 85.7 | Confident | 82.8 | Confident | 28 Ų | 28 | 46.8 Ų | 46.8 | 14% | 0.144 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.1 | -47.2 | 178.2 | -60.9 | 172.2 | 0 | 0 | 0 | 109.2 | I2652 D2843 R2847 E2848 F2849 | I2652-I2845 HydrophobicContact CD1-CG2 3.57Å; D2843-I2845 VanDerWaalsContact C-N 3.32Å; D2843-I2845 PolarHBondContact O-N 3.38Å; D2843-I2845 PolarHBondContact OD1-N 3.47Å; I2845-R2847 VanDerWaalsContact C-N 3.25Å; I2845-R2847 PolarHBondContact O-N 2.94Å; I2845-E2848 PolarHBondContact O-N 3.29Å; I2845-F2849 WeakPolarHBondContact O-CB 3.42Å; I2845-F2849 PolarHBondContact O-N 2.99Å |
| 2846 | A | 84.5 | Confident | 83.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.3 | -42.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | T2648 L2837 R2840 D2843 V2850 | T2648-A2846 HydrophobicContact CG2-CB 3.96Å; L2837-A2846 HydrophobicContact CB-CB 4.5Å; L2837-A2846 HydrophobicContact CD2-CB 4.14Å; R2840-A2846 HydrophobicContact CB-CB 3.94Å; D2843-A2846 HydrophobicContact CB-CB 3.78Å; D2843-A2846 PolarHBondContact O-N 3.37Å; D2843-A2846 PolarHBondContact OD1-N 2.86Å; D2843-A2846 VanDerWaalsContact OD1-N 3.13Å; A2846-V2850 VanDerWaalsContact O-CB 3.28Å; A2846-V2850 WeakPolarHBondContact O-CB 3.36Å; A2846-V2850 WeakPolarHBondContact O-CG2 3.29Å; A2846-V2850 PolarHBondContact O-N 2.75Å |
| 2847 | R | 84.8 | Confident | 83.3 | Confident | 93 Ų | 93 | 49.8 Ų | 49.8 | 35% | 0.351 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.5 | -45.9 | 178 | -160.4 | -169.3 | -45.9 | 125.9 | 8.2 | 112.4 | L2552 S2841 D2843 E2844 I2845 R2851 | L2552-R2847 HydrophobicContact CD2-CG 3.64Å; S2841-R2847 PolarHBondContact O-NE 3.41Å; S2841-R2847 VanDerWaalsContact O-NE 3.12Å; S2841-R2847 PolarHBondContact O-NH2 2.88Å; D2843-R2847 WeakPolarHBondContact O-CB 3.48Å; D2843-R2847 PolarHBondContact O-N 2.85Å; E2844-R2847 PolarHBondContact O-N 3.26Å; E2844-R2847 IonicContact OE1-NH1 2.75Å; I2845-R2847 VanDerWaalsContact C-N 3.25Å; I2845-R2847 PolarHBondContact O-N 2.94Å; R2847-R2851 VanDerWaalsContact O-CB 3.25Å; R2847-R2851 WeakPolarHBondContact O-CB 3.47Å; R2847-R2851 PolarHBondContact O-N 3.17Å |
| 2848 | E | 85.7 | Confident | 82.8 | Confident | 44 Ų | 44 | 53.1 Ų | 53.1 | 21% | 0.206 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.9 | -42.2 | 178.3 | 177.8 | 156.3 | -146.9 | 0 | 0 | 112.1 | H2727 K2728 E2844 I2845 R2851 L2852 | H2727-E2848 IonicContact NE2-OE2 2.84Å; H2727-E2848 PolarHBondContact NE2-OE2 3.31Å; K2728-E2848 IonicContact NZ-OE1 3.11Å; E2844-E2848 PolarHBondContact O-N 3.12Å; I2845-E2848 PolarHBondContact O-N 3.29Å; E2848-R2851 PolarHBondContact O-N 3.34Å; E2848-R2851 IonicContact OE1-NH2 3.34Å; E2848-L2852 HydrophobicContact CG-CD1 3.73Å; E2848-L2852 HydrophobicContact CG-CG 4.42Å; E2848-L2852 WeakPolarHBondContact O-CB 3.33Å; E2848-L2852 PolarHBondContact O-N 2.85Å |
| 2849 | F | 89.7 | Confident | 81.9 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.8 | -51.4 | 175.7 | -173.3 | -90.4 | 0 | 0 | 0 | 111 | I2652 F2655 F2718 L2834 L2837 I2845 R2851 L2852 K2853 | I2652-F2849 HydrophobicContact CD1-CB 4.48Å; I2652-F2849 HydrophobicContact CD1-CD2 4.18Å; I2652-F2849 HydrophobicContact CD1-CG 4.31Å; I2652-F2849 HydrophobicContact CG1-CD1 4.49Å; I2652-F2849 HydrophobicContact CG1-CD2 4.1Å; I2652-F2849 HydrophobicContact CG1-CE2 4.21Å; I2652-F2849 HydrophobicContact CG1-CG 4.24Å; I2652-F2849 HydrophobicContact CG1-CZ 4.43Å; I2652-F2849 HydrophobicContact CG2-CD2 4.28Å; I2652-F2849 HydrophobicContact CG2-CE2 3.9Å; I2652-F2849 HydrophobicContact CG2-CZ 4.49Å; F2655-F2849 HydrophobicContact CB-CZ 4.09Å; F2655-F2849 HydrophobicContact CD1-CE1 4.19Å; F2655-F2849 HydrophobicContact CD1-CE2 4.45Å; F2655-F2849 AromaticContact CD1-CZ 3.47Å; F2655-F2849 HydrophobicContact CD1-CZ 3.47Å; F2655-F2849 VanDerWaalsContact CD1-CZ 3.47Å; F2655-F2849 HydrophobicContact CD2-CE1 4.02Å; F2655-F2849 HydrophobicContact CD2-CZ 4.11Å; F2655-F2849 HydrophobicContact CE1-CE1 4.29Å; F2655-F2849 AromaticContact CE1-CZ 3.73Å; F2655-F2849 HydrophobicContact CE1-CZ 3.73Å; F2655-F2849 HydrophobicContact CE2-CE1 4.15Å; F2655-F2849 HydrophobicContact CE2-CZ 4.35Å; F2655-F2849 HydrophobicContact CG-CE1 4.01Å; F2655-F2849 AromaticContact CG-CZ 3.63Å; F2655-F2849 HydrophobicContact CG-CZ 3.63Å; F2655-F2849 HydrophobicContact CZ-CE1 4.23Å; F2655-F2849 HydrophobicContact CZ-CZ 4.13Å; F2718-F2849 HydrophobicContact CB-CD2 4.36Å; F2718-F2849 HydrophobicContact CB-CE2 4.19Å; F2718-F2849 AromaticContact CD1-CD2 3.53Å; F2718-F2849 HydrophobicContact CD1-CD2 3.53Å; F2718-F2849 HydrophobicContact CD1-CE2 4.19Å; F2718-F2849 HydrophobicContact CD2-CD2 4.38Å; F2718-F2849 HydrophobicContact CD2-CE2 4.48Å; F2718-F2849 HydrophobicContact CE1-CB 4.1Å; F2718-F2849 AromaticContact CE1-CD2 3.72Å; F2718-F2849 HydrophobicContact CE1-CD2 3.72Å; F2718-F2849 HydrophobicContact CE1-CG 4.36Å; F2718-F2849 AromaticContact CG-CD2 3.86Å; F2718-F2849 HydrophobicContact CG-CD2 3.86Å; F2718-F2849 HydrophobicContact CG-CE2 4.06Å; F2718-F2849 HydrophobicContact CZ-CD2 4.2Å; L2834-F2849 HydrophobicContact CD2-CD1 3.98Å; L2834-F2849 HydrophobicContact CD2-CE1 3.96Å; L2837-F2849 HydrophobicContact CD1-CD1 3.6Å; L2837-F2849 HydrophobicContact CD1-CE1 3.78Å; L2837-F2849 HydrophobicContact CD1-CG 4.48Å; I2845-F2849 WeakPolarHBondContact O-CB 3.42Å; I2845-F2849 PolarHBondContact O-N 2.99Å; F2849-R2851 VanDerWaalsContact C-N 3.35Å; F2849-R2851 PolarHBondContact O-N 3.47Å; F2849-L2852 PolarHBondContact O-N 3.47Å; F2849-K2853 HydrophobicContact CD1-CG 4.14Å; F2849-K2853 HydrophobicContact CE1-CG 3.91Å; F2849-K2853 HydrophobicContact CE2-CG 4.28Å; F2849-K2853 HydrophobicContact CG-CG 4.45Å; F2849-K2853 HydrophobicContact CZ-CG 3.98Å; F2849-K2853 VanDerWaalsContact O-CB 3.3Å; F2849-K2853 WeakPolarHBondContact O-CB 3.39Å; F2849-K2853 VanDerWaalsContact O-CG 3.27Å; F2849-K2853 WeakPolarHBondContact O-CG 3.23Å; F2849-K2853 PolarHBondContact O-N 3.23Å |
| 2850 | V | 86.7 | Confident | 80.9 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.6 | -45 | 176.6 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | F2549 L2834 L2837 A2846 L2852 S2854 | F2549-V2850 HydrophobicContact CD1-CG1 3.75Å; F2549-V2850 HydrophobicContact CE1-CG1 3.4Å; F2549-V2850 VanDerWaalsContact CE1-CG1 3.4Å; L2834-V2850 HydrophobicContact CD2-CB 4.43Å; L2834-V2850 HydrophobicContact CD2-CG2 4Å; L2837-V2850 HydrophobicContact CB-CG2 3.66Å; A2846-V2850 VanDerWaalsContact O-CB 3.28Å; A2846-V2850 WeakPolarHBondContact O-CB 3.36Å; A2846-V2850 WeakPolarHBondContact O-CG2 3.29Å; A2846-V2850 PolarHBondContact O-N 2.75Å; V2850-L2852 PolarHBondContact O-N 2.86Å; V2850-S2854 WeakPolarHBondContact O-CB 3.43Å; V2850-S2854 PolarHBondContact O-N 3.11Å; V2850-S2854 PolarHBondContact O-OG 3.41Å |
| 2851 | R | 86.7 | Confident | 79 | Confident | 88 Ų | 88 | 59.5 Ų | 59.5 | 33% | 0.332 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 180 | -172.3 | -167.8 | 66.4 | 69 | 1 | 112.1 | R2847 E2848 F2849 E2855 | R2847-R2851 VanDerWaalsContact O-CB 3.25Å; R2847-R2851 WeakPolarHBondContact O-CB 3.47Å; R2847-R2851 PolarHBondContact O-N 3.17Å; E2848-R2851 PolarHBondContact O-N 3.34Å; E2848-R2851 IonicContact OE1-NH2 3.34Å; F2849-R2851 VanDerWaalsContact C-N 3.35Å; F2849-R2851 PolarHBondContact O-N 3.47Å; R2851-E2855 IonicContact NH1-OE2 3.55Å; R2851-E2855 PolarHBondContact NH1-OE2 3.23Å; R2851-E2855 PolarHBondContact O-N 3.42Å |
| 2852 | L | 87 | Confident | 77.4 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -74.3 | -41.9 | -175.9 | -79.2 | 169.2 | 0 | 0 | 0 | 112.4 | V2716 F2718 E2848 F2849 V2850 S2854 E2855 | V2716-L2852 HydrophobicContact CB-CD1 4.25Å; V2716-L2852 HydrophobicContact CG1-CD1 4.01Å; V2716-L2852 HydrophobicContact CG2-CD1 3.9Å; F2718-L2852 HydrophobicContact CE1-CD1 4.42Å; F2718-L2852 HydrophobicContact CE2-CB 4.07Å; F2718-L2852 HydrophobicContact CE2-CD1 4.02Å; F2718-L2852 HydrophobicContact CZ-CB 3.82Å; F2718-L2852 HydrophobicContact CZ-CD1 3.45Å; F2718-L2852 VanDerWaalsContact CZ-CD1 3.45Å; F2718-L2852 HydrophobicContact CZ-CG 4.23Å; E2848-L2852 HydrophobicContact CG-CD1 3.73Å; E2848-L2852 HydrophobicContact CG-CG 4.42Å; E2848-L2852 WeakPolarHBondContact O-CB 3.33Å; E2848-L2852 PolarHBondContact O-N 2.85Å; F2849-L2852 PolarHBondContact O-N 3.47Å; V2850-L2852 PolarHBondContact O-N 2.86Å; L2852-S2854 VanDerWaalsContact C-N 3.28Å; L2852-S2854 PolarHBondContact O-N 3.32Å; L2852-E2855 WeakPolarHBondContact CD2-OE2 3.44Å; L2852-E2855 WeakPolarHBondContact O-CB 3.41Å; L2852-E2855 PolarHBondContact O-N 3.1Å |
| 2853 | K | 89.1 | Confident | 75.3 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.9 | -28 | 178.2 | -68.2 | -61.2 | -172.7 | 176.2 | 0 | 113.1 | F2655 E2760 L2824 L2834 F2849 | F2655-K2853 HydrophobicContact CE1-CD 4.03Å; F2655-K2853 HydrophobicContact CE1-CG 4.37Å; F2655-K2853 HydrophobicContact CZ-CD 4.07Å; F2655-K2853 HydrophobicContact CZ-CG 4.13Å; E2760-K2853 VanDerWaalsContact CD-NZ 3.31Å; E2760-K2853 WeakPolarHBondContact OE1-CE 3.38Å; E2760-K2853 IonicContact OE1-NZ 3.59Å; E2760-K2853 PolarHBondContact OE1-NZ 3.03Å; E2760-K2853 IonicContact OE2-NZ 3.42Å; L2824-K2853 HydrophobicContact CD1-CD 3.54Å; L2834-K2853 HydrophobicContact CD1-CB 4.21Å; L2834-K2853 HydrophobicContact CD2-CB 3.89Å; L2834-K2853 HydrophobicContact CD2-CG 4.5Å; F2849-K2853 HydrophobicContact CD1-CG 4.14Å; F2849-K2853 HydrophobicContact CE1-CG 3.91Å; F2849-K2853 HydrophobicContact CE2-CG 4.28Å; F2849-K2853 HydrophobicContact CG-CG 4.45Å; F2849-K2853 HydrophobicContact CZ-CG 3.98Å; F2849-K2853 VanDerWaalsContact O-CB 3.3Å; F2849-K2853 WeakPolarHBondContact O-CB 3.39Å; F2849-K2853 VanDerWaalsContact O-CG 3.27Å; F2849-K2853 WeakPolarHBondContact O-CG 3.23Å; F2849-K2853 PolarHBondContact O-N 3.23Å |
| 2854 | S | 84.3 | Confident | 72.8 | Confident | 29 Ų | 29 | 61 Ų | 61 | 20% | 0.203 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 1 | 175.6 | -57.2 | 0 | 0 | 0 | 0 | 113.6 | V2850 L2852 | V2850-S2854 WeakPolarHBondContact O-CB 3.43Å; V2850-S2854 PolarHBondContact O-N 3.11Å; V2850-S2854 PolarHBondContact O-OG 3.41Å; L2852-S2854 VanDerWaalsContact C-N 3.28Å; L2852-S2854 PolarHBondContact O-N 3.32Å |
| 2855 | E | 83.4 | Confident | 70.3 | Confident | 35 Ų | 35 | 61.9 Ų | 61.9 | 16% | 0.164 | 35% | 0.351 | C | S | . | . | trans | -70.6 | 131.2 | -178.7 | -151.1 | 172.5 | 146.4 | 0 | 0 | 110.7 | K2766 L2776 R2851 L2852 | K2766-E2855 WeakPolarHBondContact CE-OE1 3.29Å; K2766-E2855 IonicContact NZ-OE1 3.19Å; K2766-E2855 PolarHBondContact NZ-OE1 3.31Å; K2766-E2855 VanDerWaalsContact NZ-OE1 3.11Å; K2766-E2855 IonicContact NZ-OE2 3.27Å; K2766-E2855 PolarHBondContact NZ-OE2 2.87Å; L2776-E2855 HydrophobicContact CD2-CB 4.32Å; L2776-E2855 HydrophobicContact CD2-CG 3.99Å; R2851-E2855 IonicContact NH1-OE2 3.55Å; R2851-E2855 PolarHBondContact NH1-OE2 3.23Å; R2851-E2855 PolarHBondContact O-N 3.42Å; L2852-E2855 WeakPolarHBondContact CD2-OE2 3.44Å; L2852-E2855 WeakPolarHBondContact O-CB 3.41Å; L2852-E2855 PolarHBondContact O-N 3.1Å | ||
| 2856 | V | 83.3 | Confident | 67.9 | Low | 76 Ų | 76 | 65.4 Ų | 65.4 | 46% | 0.461 | 38% | 0.378 | S | S | . | . | trans | -130.4 | 137.5 | -178.1 | -180 | 0 | 0 | 0 | 0 | 109.7 | R2823 S2858 | R2823-V2856 HydrophobicContact CB-CG1 4.41Å; R2823-V2856 HydrophobicContact CB-CG2 4.21Å; V2856-S2858 PolarHBondContact O-N 2.94Å | ||
| 2857 | R | 83.5 | Confident | 65.4 | Low | 43 Ų | 43 | 70.7 Ų | 70.7 | 16% | 0.162 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -60 | 124 | 176.7 | -175.7 | -161.1 | 164.6 | 132.4 | -10.1 | 110.8 | K2702 W2703 L2776 I2777 K2822 | K2702-R2857 VanDerWaalsContact O-CZ 3.23Å; K2702-R2857 PolarHBondContact O-NH1 3.48Å; K2702-R2857 PolarHBondContact O-NH2 3.36Å; W2703-R2857 VanDerWaalsContact CE3-CZ 3.45Å; W2703-R2857 HydrophobicContact CZ3-CG 3.78Å; L2776-R2857 WeakPolarHBondContact O-CG 3.35Å; I2777-R2857 VanDerWaalsContact O-CD 3.23Å; I2777-R2857 WeakPolarHBondContact O-CD 3.49Å; I2777-R2857 PolarHBondContact O-NH1 3.06Å; K2822-R2857 HydrophobicContact CB-CB 4.08Å; K2822-R2857 HydrophobicContact CG-CB 4.48Å; K2822-R2857 WeakPolarHBondContact O-CB 3.45Å; K2822-R2857 PolarHBondContact O-N 3.38Å |
| 2858 | S | 73.3 | Confident | 62.9 | Low | 69 Ų | 69 | 70.2 Ų | 70.2 | 48% | 0.483 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 146.4 | 174.5 | -44.5 | 0 | 0 | 0 | 0 | 112 | V2856 | V2856-S2858 PolarHBondContact O-N 2.94Š|
| 2859 | P | 62.9 | Low | 60.3 | Low | 119 Ų | 119 | 73.3 Ų | 73.3 | 77% | 0.773 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 148.5 | 170.6 | -16.7 | 29.5 | 0 | 0 | 0 | 111.7 | ||
| 2860 | C | 55.2 | Low | 57.6 | Low | 34 Ų | 34 | 80.2 Ų | 80.2 | 23% | 0.23 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -91.3 | 135.2 | 175.5 | -169.5 | 0 | 0 | 0 | 0 | 111.6 | T2704 S2862 | T2704-C2860 VanDerWaalsContact C-SG 3.55Å; T2704-C2860 PolarHBondContact O-SG 3.07Å; T2704-C2860 PolarHBondContact OG1-SG 3.18Å; C2860-S2862 PolarHBondContact O-N 3.43Å; C2860-S2862 VanDerWaalsContact O-N 3.08Å |
| 2861 | D | 40 | Very low | 54.9 | Low | 130 Ų | 130 | 85.2 Ų | 85.2 | 70% | 0.695 | 55% | 0.545 | S | S | * | . | trans | -67.1 | 99.5 | 178.6 | -59.6 | -46.2 | 0 | 0 | 0 | 110.9 | ||||
| 2862 | S | 35.6 | Very low | 52.4 | Low | 104 Ų | 104 | 88 Ų | 88 | 73% | 0.727 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 122.4 | 169 | -51.3 | 0 | 0 | 0 | 0 | 109.6 | C2860 | C2860-S2862 PolarHBondContact O-N 3.43Å; C2860-S2862 VanDerWaalsContact O-N 3.08Å |
| 2863 | I | 34.4 | Very low | 49.9 | Very low | 177 Ų | 177 | 92.6 Ų | 92.6 | 91% | 0.908 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 139.9 | -178.8 | -64.3 | 162.5 | 0 | 0 | 0 | 110.8 | ||
| 2864 | G | 29.2 | Very low | 47.2 | Very low | 62 Ų | 62 | 97 Ų | 97 | 64% | 0.639 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 172.7 | -162.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 2865 | N | 31.5 | Very low | 44.8 | Very low | 161 Ų | 161 | 102.3 Ų | 102.3 | 86% | 0.861 | 66% | 0.656 | S | S | * | * | trans | -160 | 113.3 | 146.5 | -105.9 | -9 | 0 | 0 | 0 | 111.1 | ||||
| 2866 | S | 34.4 | Very low | 42.5 | Very low | 102 Ų | 102 | 108 Ų | 108 | 71% | 0.713 | 69% | 0.687 | S | S | * | * | trans | 30.6 | 115.2 | 138.7 | 55.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 2867 | A | 32.1 | Very low | 40 | Very low | 111 Ų | 111 | 108.1 Ų | 108.1 | 92% | 0.917 | 70% | 0.704 | S | S | * | * | 67.4 | 128.5 | 118.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 2868 | G | 32.2 | Very low | 37.7 | Very low | 83 Ų | 83 | 111.2 Ų | 111.2 | 86% | 0.856 | 73% | 0.732 | S | S | * | * | trans | 155.6 | 81.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 2869 | S | 30.7 | Very low | 35.7 | Very low | 109 Ų | 109 | 114.1 Ų | 114.1 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | trans | -76.6 | 134.9 | 175.4 | 143.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 2870 | V | 33.8 | Very low | 34.3 | Very low | 144 Ų | 144 | 113.8 Ų | 113.8 | 87% | 0.873 | 74% | 0.744 | S | S | * | * | trans | -147.3 | 126.3 | 142.4 | -175.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 2871 | T | 31.2 | Very low | 33.3 | Very low | 107 Ų | 107 | 123.2 Ų | 123.2 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | trans | -82.1 | 144 | 175 | 47.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2872 | N | 33.2 | Very low | 32.9 | Very low | 147 Ų | 147 | 123 Ų | 123 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | 177.3 | 146.9 | 123.3 | -98.4 | -12 | 0 | 0 | 0 | 115.4 | |||||
| 2873 | S | 35.3 | Very low | 32.6 | Very low | 97 Ų | 97 | 133.1 Ų | 133.1 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | trans | 59.7 | 103.8 | 146.9 | 57.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 2874 | S | 32 | Very low | 32.5 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | 77.6 | 118.6 | 81.2 | 75.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 2875 | L | 33.4 | Very low | 32.7 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | 152.3 | 119.7 | 122.5 | -84.5 | 146.6 | 0 | 0 | 0 | 111.9 | |||||
| 2876 | N | 34.4 | Very low | 32.7 | Very low | 154 Ų | 154 | 133.1 Ų | 133.1 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | 59 | 135.3 | 135.8 | -65.3 | -5.3 | 0 | 0 | 0 | 121.3 | ||||
| 2877 | G | 31.6 | Very low | 32.6 | Very low | 79 Ų | 79 | 134.9 Ų | 134.9 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | trans | 135.2 | 70.1 | 146.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 2878 | S | 35.4 | Very low | 32.7 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | -45.9 | 153.3 | 171 | 48.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 2879 | V | 30.6 | Very low | 32.7 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | trans | 88.5 | 120.3 | 155.1 | -163.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 2880 | P | 33.9 | Very low | 32.8 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | -152.5 | 170.4 | 74.6 | 40 | -18.5 | 0 | 0 | 0 | 119.1 | |||||
| 2881 | R | 35.3 | Very low | 32.8 | Very low | 233 Ų | 233 | 142 Ų | 142 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | 109.1 | 95.5 | 155 | -65.4 | -178.3 | 170.2 | 174.4 | -3.1 | 115.8 | R2883 | R2881-R2883 PolarHBondContact O-N 2.85Š| ||
| 2882 | S | 30.6 | Very low | 32.9 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | -48.9 | 117.3 | 145.9 | 55.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 2883 | R | 28.9 | Very low | 32.9 | Very low | 317 Ų | 317 | 144.7 Ų | 144.7 | 100% | 1.196 | 81% | 0.813 | S | S | * | * | trans | -134.2 | 0 | 135.2 | -136.3 | -175.1 | -165.1 | -175 | 4.2 | 107.3 | R2881 | R2881-R2883 PolarHBondContact O-N 2.85Š|
Retrieved 2,883 of 2,883 residues in 4572.7 ms
(Link to these results)