| 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 | 39.4 | Very low | 63.5 | Low | 227 Ų | 227 | 82 Ų | 82 | 100% | 1.118 | 41% | 0.412 | S | S | * | . | 0 | 36.4 | 0 | -142 | 175.1 | -78.8 | 0 | 0 | 109.1 | |||||
| 2 | D | 42.1 | Very low | 66.2 | Low | 128 Ų | 128 | 78.9 Ų | 78.9 | 68% | 0.684 | 40% | 0.4 | S | S | * | . | trans | -141.1 | 45.5 | -159.8 | -69.5 | -61.7 | 0 | 0 | 0 | 114.2 | K7 | D2-K7 IonicContact OD1-NZ 3.24Š| ||
| 3 | D | 49.4 | Very low | 68.6 | Low | 70 Ų | 70 | 72.8 Ų | 72.8 | 37% | 0.374 | 37% | 0.37 | S | S | . | . | trans | -144.8 | 83 | 170 | -145.9 | -10.2 | 0 | 0 | 0 | 110.8 | K8 R125 | D3-K8 VanDerWaalsContact CG-NZ 3.3Å; D3-K8 WeakPolarHBondContact OD1-CE 3.05Å; D3-K8 IonicContact OD1-NZ 3.26Å; D3-K8 PolarHBondContact OD1-NZ 3.02Å; D3-K8 IonicContact OD2-NZ 2.84Å; D3-K8 PolarHBondContact OD2-NZ 3.33Å; D3-R125 PolarHBondContact O-NE 3.32Å; D3-R125 PolarHBondContact O-NH2 3.49Å; D3-R125 VanDerWaalsContact O-NH2 3.16Å | ||
| 4 | C | 56.1 | Low | 70.4 | Confident | 22 Ų | 22 | 71.1 Ų | 71.1 | 15% | 0.149 | 37% | 0.367 | C | S | . | . | trans | -114.6 | 122.4 | 179 | -164.5 | 0 | 0 | 0 | 0 | 107.4 | S6 K7 A118 S119 | C4-S6 PolarHBondContact O-N 2.6Å; C4-S6 VanDerWaalsContact O-N 3.14Å; C4-S6 PolarHBondContact SG-OG 3.16Å; C4-K7 WeakPolarHBondContact O-CB 3.48Å; C4-K7 PolarHBondContact O-N 3.06Å; C4-A118 PolarHBondContact SG-O 3.04Å; C4-S119 VanDerWaalsContact SG-C 3.51Å; C4-S119 VanDerWaalsContact SG-CA 3.56Å; C4-S119 PolarHBondContact SG-O 3.3Å; C4-S119 VanDerWaalsContact SG-O 3.34Å | ||
| 5 | L | 61.7 | Low | 72 | Confident | 28 Ų | 28 | 73.7 Ų | 73.7 | 15% | 0.147 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -56.8 | -29.6 | -178.3 | -82.9 | -176.5 | 0 | 0 | 0 | 112.2 | K7 K8 I9 C124 F129 | L5-K7 PolarHBondContact O-N 2.99Å; L5-K7 VanDerWaalsContact O-N 3.12Å; L5-K8 CarbonylContact O-C 3.58Å; L5-K8 WeakPolarHBondContact O-CA 3.39Å; L5-K8 PolarHBondContact O-N 3.21Å; L5-I9 HydrophobicContact CD2-CD1 3.98Å; L5-I9 HydrophobicContact CD2-CG1 4.49Å; L5-I9 PolarHBondContact O-N 3.25Å; L5-C124 HydrophobicContact CB-CB 4.04Å; L5-C124 WeakPolarHBondContact CD1-O 3.42Å; L5-C124 HydrophobicContact CG-CB 4.32Å; L5-C124 WeakPolarHBondContact CG-O 3.48Å; L5-F129 HydrophobicContact CD1-CD1 4.15Å; L5-F129 HydrophobicContact CD1-CE1 4.18Å |
| 6 | S | 58.1 | Low | 73.4 | Confident | 53 Ų | 53 | 71.6 Ų | 71.6 | 37% | 0.371 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -61.6 | -18.6 | 175.5 | 64.7 | 0 | 0 | 0 | 0 | 114.4 | C4 A118 | C4-S6 PolarHBondContact O-N 2.6Å; C4-S6 VanDerWaalsContact O-N 3.14Å; C4-S6 PolarHBondContact SG-OG 3.16Å; S6-A118 PolarHBondContact N-O 3.39Å |
| 7 | K | 61.3 | Low | 74.6 | Confident | 136 Ų | 136 | 72.5 Ų | 72.5 | 59% | 0.591 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -86.7 | -12 | 172.3 | -67.1 | -176 | 177.2 | -176.7 | 0 | 113.1 | D2 C4 L5 | D2-K7 IonicContact OD1-NZ 3.24Å; C4-K7 WeakPolarHBondContact O-CB 3.48Å; C4-K7 PolarHBondContact O-N 3.06Å; L5-K7 PolarHBondContact O-N 2.99Å; L5-K7 VanDerWaalsContact O-N 3.12Å |
| 8 | K | 68.4 | Low | 75.6 | Confident | 101 Ų | 101 | 76.1 Ų | 76.1 | 44% | 0.439 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116 | -23.2 | -173.2 | -68.5 | -179 | 169.4 | 179.7 | 0 | 113 | D3 L5 V41 | D3-K8 VanDerWaalsContact CG-NZ 3.3Å; D3-K8 WeakPolarHBondContact OD1-CE 3.05Å; D3-K8 IonicContact OD1-NZ 3.26Å; D3-K8 PolarHBondContact OD1-NZ 3.02Å; D3-K8 IonicContact OD2-NZ 2.84Å; D3-K8 PolarHBondContact OD2-NZ 3.33Å; L5-K8 CarbonylContact O-C 3.58Å; L5-K8 WeakPolarHBondContact O-CA 3.39Å; L5-K8 PolarHBondContact O-N 3.21Å; K8-V41 PolarHBondContact O-N 3.38Å |
| 9 | I | 79.9 | Confident | 76.5 | Confident | 28 Ų | 28 | 76 Ų | 76 | 14% | 0.144 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 124 | -175.6 | -56.1 | -179.2 | 0 | 0 | 0 | 108.5 | L5 I11 T38 R39 Y130 | L5-I9 HydrophobicContact CD2-CD1 3.98Å; L5-I9 HydrophobicContact CD2-CG1 4.49Å; L5-I9 PolarHBondContact O-N 3.25Å; I9-I11 HydrophobicContact CG2-CG1 4.05Å; I9-T38 HydrophobicContact CG2-CG2 4.21Å; I9-R39 CarbonylContact C-O 3.56Å; I9-R39 VanDerWaalsContact CA-O 3.28Å; I9-R39 WeakPolarHBondContact CA-O 3.28Å; I9-Y130 HydrophobicContact CD1-CE2 4.26Å |
| 10 | E | 88.3 | Confident | 77.1 | Confident | 103 Ų | 103 | 76.8 Ų | 76.8 | 48% | 0.481 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 130.5 | 166 | -179.5 | 178 | -149.7 | 0 | 0 | 108.1 | T38 R39 V41 | E10-T38 VanDerWaalsContact O-CA 3.29Å; E10-T38 WeakPolarHBondContact O-CA 3.48Å; E10-R39 HydrophobicContact CB-CB 4.28Å; E10-R39 PolarHBondContact N-O 3.23Å; E10-R39 PolarHBondContact O-N 3.32Å; E10-R39 WeakPolarHBondContact OE2-CD 3.13Å; E10-R39 IonicContact OE2-NE 3.3Å; E10-V41 HydrophobicContact CB-CG2 4.21Å |
| 11 | I | 94.2 | Very high | 77.4 | Confident | 6 Ų | 6 | 74.2 Ų | 74.2 | 3% | 0.031 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 125.4 | -176.7 | -54.9 | 169.7 | 0 | 0 | 0 | 108 | I9 I36 T38 L114 L115 A118 F129 L133 | I9-I11 HydrophobicContact CG2-CG1 4.05Å; I11-I36 HydrophobicContact CG2-CG2 4.32Å; I11-T38 HydrophobicContact CG1-CG2 4.28Å; I11-L114 HydrophobicContact CG2-CB 4.04Å; I11-L114 HydrophobicContact CG2-CD1 3.94Å; I11-L115 HydrophobicContact CB-CD2 4.23Å; I11-A118 HydrophobicContact CD1-CB 3.66Å; I11-F129 HydrophobicContact CD1-CZ 4.29Å; I11-L133 HydrophobicContact CD1-CD1 3.76Å; I11-L133 HydrophobicContact CG1-CD1 4.42Å; I11-L133 HydrophobicContact CG2-CD2 4.27Å |
| 12 | T | 95.7 | Very high | 79.3 | Confident | 45 Ų | 45 | 72.7 Ų | 72.7 | 28% | 0.276 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 152.4 | 173.5 | 53 | 0 | 0 | 0 | 0 | 109.9 | I36 E37 E111 | T12-I36 WeakPolarHBondContact O-CA 3.47Å; T12-E37 PolarHBondContact N-O 2.95Å; T12-E37 PolarHBondContact O-N 3.28Å; T12-E111 WeakPolarHBondContact CA-OE2 3.45Å |
| 13 | V | 96.8 | Very high | 81 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 81.7 | 170.8 | -174.9 | 0 | 0 | 0 | 0 | 107.2 | Y34 L35 I36 R107 E111 L114 | V13-Y34 HydrophobicContact CG1-CD1 4.46Å; V13-Y34 HydrophobicContact CG1-CG 4.45Å; V13-L35 CarbonylContact C-O 3.53Å; V13-L35 VanDerWaalsContact C-O 3.28Å; V13-L35 WeakPolarHBondContact CA-O 3.33Å; V13-I36 HydrophobicContact CG2-CG1 4.41Å; V13-R107 HydrophobicContact CB-CG 4.21Å; V13-R107 HydrophobicContact CG1-CG 3.7Å; V13-R107 WeakPolarHBondContact O-CD 3.35Å; V13-R107 WeakPolarHBondContact O-CG 3.07Å; V13-R107 PolarHBondContact O-NH1 3.11Å; V13-E111 HydrophobicContact CB-CB 3.96Å; V13-E111 HydrophobicContact CB-CG 4.48Å; V13-E111 HydrophobicContact CG2-CB 3.75Å; V13-E111 HydrophobicContact CG2-CG 4.24Å; V13-E111 PolarHBondContact N-OE2 3.4Å; V13-L114 HydrophobicContact CG2-CD1 3.85Å |
| 14 | S | 94 | Very high | 82.1 | Confident | 48 Ų | 48 | 70.7 Ų | 70.7 | 34% | 0.336 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | -32.1 | -161.4 | 44.9 | 0 | 0 | 0 | 0 | 115.4 | L35 E37 | S14-L35 PolarHBondContact N-O 3.11Å; S14-E37 WeakPolarHBondContact CB-OE2 3.43Å; S14-E37 PolarHBondContact OG-OE2 2.94Å |
| 15 | E | 94.6 | Very high | 83.1 | Confident | 111 Ų | 111 | 77 Ų | 77 | 52% | 0.519 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 157.3 | -173.2 | -60.6 | -175.8 | 177.5 | 0 | 0 | 112.6 | Y34 L35 W56 | E15-Y34 CarbonylContact O-C 3.56Å; E15-Y34 VanDerWaalsContact O-CA 3.31Å; E15-Y34 WeakPolarHBondContact O-CA 3.3Å; E15-L35 HydrophobicContact CB-CB 3.89Å; E15-L35 HydrophobicContact CB-CD2 4.2Å; E15-L35 HydrophobicContact CG-CD2 4.12Å; E15-L35 PolarHBondContact O-N 3.2Å; E15-W56 HydrophobicContact CB-CH2 4.01Å |
| 16 | A | 95.1 | Very high | 83.9 | Confident | 39 Ų | 39 | 81.4 Ų | 81.4 | 32% | 0.322 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 131.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | T32 A33 Y34 V103 | A16-T32 HydrophobicContact CB-CG2 4.09Å; A16-A33 CarbonylContact C-O 3.57Å; A16-A33 VanDerWaalsContact CA-O 3.3Å; A16-A33 WeakPolarHBondContact CA-O 3.46Å; A16-Y34 HydrophobicContact CB-CD1 3.78Å; A16-Y34 HydrophobicContact CB-CE1 3.79Å; A16-V103 HydrophobicContact CB-CG1 3.38Å |
| 17 | E | 93.8 | Very high | 85.1 | Confident | 87 Ų | 87 | 84.7 Ų | 84.7 | 41% | 0.407 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 138.3 | -176.5 | -167.7 | -167.7 | 179.4 | 0 | 0 | 111 | R19 T32 A33 W56 | E17-R19 HydrophobicContact CG-CG 4.43Å; E17-R19 PolarHBondContact O-N 3.5Å; E17-R19 IonicContact OE2-CZ 2.84Å; E17-R19 VanDerWaalsContact OE2-CZ 3.26Å; E17-R19 IonicContact OE2-NE 2.75Å; E17-R19 PolarHBondContact OE2-NE 3.38Å; E17-R19 IonicContact OE2-NH2 3.59Å; E17-R19 PolarHBondContact OE2-NH2 3.03Å; E17-T32 WeakPolarHBondContact O-CA 3.35Å; E17-A33 PolarHBondContact N-O 3.41Å; E17-A33 PolarHBondContact O-N 2.98Å; E17-W56 HydrophobicContact CB-CH2 3.66Å; E17-W56 HydrophobicContact CB-CZ3 3.61Å |
| 18 | K | 92.7 | Very high | 86.2 | Confident | 138 Ų | 138 | 85.9 Ų | 85.9 | 60% | 0.6 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 115.1 | 172.6 | -175.5 | 172.4 | 178.2 | 173 | 0 | 109.8 | T30 M98 | K18-T30 HydrophobicContact CD-CG2 4.02Å; K18-T30 HydrophobicContact CG-CG2 3.6Å; K18-M98 HydrophobicContact CD-CE 3.84Å; K18-M98 HydrophobicContact CG-CE 3.83Å |
| 19 | R | 92.1 | Very high | 87.1 | Confident | 74 Ų | 74 | 84.5 Ų | 84.5 | 28% | 0.279 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 154.8 | -179.6 | -64.1 | -170.4 | 172.8 | -172.4 | -4.6 | 111.6 | E17 T30 Y31 A33 W56 | E17-R19 HydrophobicContact CG-CG 4.43Å; E17-R19 PolarHBondContact O-N 3.5Å; E17-R19 IonicContact OE2-CZ 2.84Å; E17-R19 VanDerWaalsContact OE2-CZ 3.26Å; E17-R19 IonicContact OE2-NE 2.75Å; E17-R19 PolarHBondContact OE2-NE 3.38Å; E17-R19 IonicContact OE2-NH2 3.59Å; E17-R19 PolarHBondContact OE2-NH2 3.03Å; R19-T30 WeakPolarHBondContact O-CA 3.38Å; R19-Y31 HydrophobicContact CB-CE2 4.01Å; R19-Y31 PolarHBondContact N-O 3.48Å; R19-Y31 PolarHBondContact O-N 3.44Å; R19-Y31 VanDerWaalsContact O-O 3.09Å; R19-A33 HydrophobicContact CG-CB 4.24Å; R19-W56 VanDerWaalsContact CZ-CD2 3.41Å; R19-W56 VanDerWaalsContact CZ-CG 3.47Å |
| 20 | T | 87.8 | Confident | 87.5 | Confident | 92 Ų | 92 | 86.4 Ų | 86.4 | 56% | 0.564 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 137.6 | 170.4 | 56.2 | 0 | 0 | 0 | 0 | 109.2 | E29 T30 | T20-E29 WeakPolarHBondContact CA-O 3.41Å; T20-T30 HydrophobicContact CG2-CG2 4.15Å |
| 21 | G | 83.3 | Confident | 87.6 | Confident | 22 Ų | 22 | 84.5 Ų | 84.5 | 23% | 0.227 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 179.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | E29 | G21-E29 PolarHBondContact N-O 3.22Å; G21-E29 PolarHBondContact O-N 3.49Å; G21-E29 VanDerWaalsContact O-O 3.11Å |
| 22 | R | 79.8 | Confident | 87.5 | Confident | 196 Ų | 196 | 85 Ų | 85 | 74% | 0.74 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 135.7 | 172.9 | -60 | -167.4 | -157.3 | -174.5 | 5.7 | 109.7 | M27 | R22-M27 WeakPolarHBondContact CA-O 3.46Å |
| 23 | N | 78.7 | Confident | 87.5 | Confident | 42 Ų | 42 | 83 Ų | 83 | 23% | 0.225 | 43% | 0.43 | C | S | . | . | trans | -79.8 | -179.6 | 170.7 | 71.8 | 10 | 0 | 0 | 0 | 111.1 | M25 N26 M27 E29 | N23-M25 PolarHBondContact O-N 3.44Å; N23-M25 VanDerWaalsContact O-N 3.08Å; N23-M25 WeakPolarHBondContact OD1-CA 3.38Å; N23-M25 WeakPolarHBondContact OD1-CB 3.2Å; N23-M25 PolarHBondContact OD1-N 3.17Å; N23-N26 PolarHBondContact O-N 2.82Å; N23-N26 PolarHBondContact OD1-N 3.05Å; N23-M27 PolarHBondContact N-O 3.33Å; N23-M27 PolarHBondContact OD1-N 3.34Å; N23-M27 PolarHBondContact OD1-O 3.02Å; N23-E29 HydrophobicContact CB-CB 4.17Å | ||
| 24 | A | 71.1 | Confident | 87.5 | Confident | 113 Ų | 113 | 83 Ų | 83 | 93% | 0.934 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -18.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 25 | M | 77.7 | Confident | 87.7 | Confident | 156 Ų | 156 | 81.3 Ų | 81.3 | 77% | 0.768 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 14.2 | 176.3 | -66.3 | -179.1 | 150.5 | 0 | 0 | 112.7 | N23 M27 | N23-M25 PolarHBondContact O-N 3.44Å; N23-M25 VanDerWaalsContact O-N 3.08Å; N23-M25 WeakPolarHBondContact OD1-CA 3.38Å; N23-M25 WeakPolarHBondContact OD1-CB 3.2Å; N23-M25 PolarHBondContact OD1-N 3.17Å; M25-M27 HydrophobicContact CB-CG 4.43Å; M25-M27 PolarHBondContact O-N 3.02Å; M25-M27 VanDerWaalsContact O-N 3.13Å |
| 26 | N | 79.4 | Confident | 87.8 | Confident | 120 Ų | 120 | 76 Ų | 76 | 64% | 0.642 | 39% | 0.393 | S | S | * | . | S | Bend | trans | 58.4 | 17.8 | -174.9 | -76.8 | -38.1 | 0 | 0 | 0 | 115 | N23 | N23-N26 PolarHBondContact O-N 2.82Å; N23-N26 PolarHBondContact OD1-N 3.05Å |
| 27 | M | 81.6 | Confident | 87.8 | Confident | 121 Ų | 121 | 77 Ų | 77 | 60% | 0.596 | 39% | 0.39 | S | S | * | . | trans | -87 | 143.2 | 173.9 | -64.7 | 179.2 | 68.9 | 0 | 0 | 110.3 | R22 N23 M25 E29 | R22-M27 WeakPolarHBondContact CA-O 3.46Å; N23-M27 PolarHBondContact N-O 3.33Å; N23-M27 PolarHBondContact OD1-N 3.34Å; N23-M27 PolarHBondContact OD1-O 3.02Å; M25-M27 HydrophobicContact CB-CG 4.43Å; M25-M27 PolarHBondContact O-N 3.02Å; M25-M27 VanDerWaalsContact O-N 3.13Å; M27-E29 PolarHBondContact O-N 3.09Å | ||
| 28 | Q | 85.3 | Confident | 87.8 | Confident | 161 Ų | 161 | 73.2 Ų | 73.2 | 75% | 0.752 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 119 | 175.3 | -167.9 | 169.6 | -5.6 | 0 | 0 | 109.3 | ||
| 29 | E | 87 | Confident | 87.5 | Confident | 73 Ų | 73 | 70.5 Ų | 70.5 | 34% | 0.341 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 138 | 179.9 | 179.5 | 178.5 | -135.3 | 0 | 0 | 108.4 | T20 G21 N23 M27 R58 | T20-E29 WeakPolarHBondContact CA-O 3.41Å; G21-E29 PolarHBondContact N-O 3.22Å; G21-E29 PolarHBondContact O-N 3.49Å; G21-E29 VanDerWaalsContact O-O 3.11Å; N23-E29 HydrophobicContact CB-CB 4.17Å; M27-E29 PolarHBondContact O-N 3.09Å; E29-R58 IonicContact OE2-NH1 2.77Å; E29-R58 PolarHBondContact OE2-NH1 2.91Å |
| 30 | T | 88.3 | Confident | 87 | Confident | 67 Ų | 67 | 69.3 Ų | 69.3 | 41% | 0.411 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 131.2 | 171.4 | -51.3 | 0 | 0 | 0 | 0 | 108.6 | K18 R19 T20 M98 | K18-T30 HydrophobicContact CD-CG2 4.02Å; K18-T30 HydrophobicContact CG-CG2 3.6Å; R19-T30 WeakPolarHBondContact O-CA 3.38Å; T20-T30 HydrophobicContact CG2-CG2 4.15Å; T30-M98 HydrophobicContact CG2-CE 3.98Å |
| 31 | Y | 90.3 | Very high | 86.3 | Confident | 64 Ų | 64 | 68.5 Ų | 68.5 | 25% | 0.251 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 157.1 | -177.4 | 61.3 | -90.3 | 0 | 0 | 0 | 111 | R19 A33 R58 | R19-Y31 HydrophobicContact CB-CE2 4.01Å; R19-Y31 PolarHBondContact N-O 3.48Å; R19-Y31 PolarHBondContact O-N 3.44Å; R19-Y31 VanDerWaalsContact O-O 3.09Å; Y31-A33 HydrophobicContact CE2-CB 4.18Å; Y31-R58 HydrophobicContact CD2-CB 3.56Å; Y31-R58 HydrophobicContact CD2-CG 4.31Å; Y31-R58 HydrophobicContact CE2-CB 3.85Å; Y31-R58 HydrophobicContact CE2-CG 4.44Å |
| 32 | T | 93.5 | Very high | 85.2 | Confident | 16 Ų | 16 | 72.8 Ų | 72.8 | 10% | 0.098 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 127.8 | 171.2 | -49.1 | 0 | 0 | 0 | 0 | 109.7 | A16 E17 Y34 M98 V103 | A16-T32 HydrophobicContact CB-CG2 4.09Å; E17-T32 WeakPolarHBondContact O-CA 3.35Å; T32-Y34 HydrophobicContact CG2-CE1 4.09Å; T32-Y34 HydrophobicContact CG2-CE2 4.19Å; T32-M98 PolarHBondContact OG1-SD 3.45Å; T32-V103 HydrophobicContact CG2-CG1 3.8Å; T32-V103 HydrophobicContact CG2-CG2 4.3Å |
| 33 | A | 95.3 | Very high | 83.8 | Confident | 2 Ų | 2 | 69 Ų | 69 | 2% | 0.017 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 152.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | A16 E17 R19 Y31 W56 R57 | A16-A33 CarbonylContact C-O 3.57Å; A16-A33 VanDerWaalsContact CA-O 3.3Å; A16-A33 WeakPolarHBondContact CA-O 3.46Å; E17-A33 PolarHBondContact N-O 3.41Å; E17-A33 PolarHBondContact O-N 2.98Å; R19-A33 HydrophobicContact CG-CB 4.24Å; Y31-A33 HydrophobicContact CE2-CB 4.18Å; A33-W56 HydrophobicContact CB-CE3 3.72Å; A33-W56 HydrophobicContact CB-CZ3 4.4Å; A33-W56 WeakPolarHBondContact O-CZ3 3.46Å; A33-R57 CarbonylContact C-O 3.53Å |
| 34 | Y | 97.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 129.9 | -177.3 | -58.5 | -84.9 | 0 | 0 | 0 | 108.7 | V13 E15 A16 T32 I36 W56 R57 F62 V103 R106 R107 L110 | V13-Y34 HydrophobicContact CG1-CD1 4.46Å; V13-Y34 HydrophobicContact CG1-CG 4.45Å; E15-Y34 CarbonylContact O-C 3.56Å; E15-Y34 VanDerWaalsContact O-CA 3.31Å; E15-Y34 WeakPolarHBondContact O-CA 3.3Å; A16-Y34 HydrophobicContact CB-CD1 3.78Å; A16-Y34 HydrophobicContact CB-CE1 3.79Å; T32-Y34 HydrophobicContact CG2-CE1 4.09Å; T32-Y34 HydrophobicContact CG2-CE2 4.19Å; Y34-I36 PolarHBondContact O-N 3.5Å; Y34-W56 VanDerWaalsContact C-CE3 3.47Å; Y34-W56 WeakPolarHBondContact O-CA 3.35Å; Y34-R57 WeakPolarHBondContact CD2-O 3.45Å; Y34-R57 PolarHBondContact N-O 3.47Å; Y34-R57 PolarHBondContact O-N 2.93Å; Y34-F62 HydrophobicContact CD2-CE2 4.48Å; Y34-V103 HydrophobicContact CE1-CG1 4.34Å; Y34-R106 HydrophobicContact CE1-CG 4.42Å; Y34-R106 WeakPolarHBondContact OH-CD 3.32Å; Y34-R107 HydrophobicContact CD1-CB 3.97Å; Y34-R107 HydrophobicContact CD1-CG 4.13Å; Y34-R107 HydrophobicContact CE1-CB 4.05Å; Y34-L110 HydrophobicContact CD1-CD1 4.01Å; Y34-L110 HydrophobicContact CD2-CD1 3.47Å; Y34-L110 VanDerWaalsContact CD2-CD1 3.47Å; Y34-L110 HydrophobicContact CE1-CD1 4.13Å; Y34-L110 HydrophobicContact CE2-CD1 3.62Å; Y34-L110 HydrophobicContact CG-CD1 3.7Å |
| 35 | L | 97.4 | Very high | 81.1 | Confident | 13 Ų | 13 | 77.4 Ų | 77.4 | 7% | 0.068 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 115.7 | 176.7 | -178.4 | 57.1 | 0 | 0 | 0 | 108.4 | V13 S14 E15 E37 W56 | V13-L35 CarbonylContact C-O 3.53Å; V13-L35 VanDerWaalsContact C-O 3.28Å; V13-L35 WeakPolarHBondContact CA-O 3.33Å; S14-L35 PolarHBondContact N-O 3.11Å; E15-L35 HydrophobicContact CB-CB 3.89Å; E15-L35 HydrophobicContact CB-CD2 4.2Å; E15-L35 HydrophobicContact CG-CD2 4.12Å; E15-L35 PolarHBondContact O-N 3.2Å; L35-E37 HydrophobicContact CD2-CG 4.4Å; L35-E37 HydrophobicContact CG-CG 4.13Å; L35-W56 HydrophobicContact CB-CD2 4.13Å; L35-W56 HydrophobicContact CB-CE3 4.08Å; L35-W56 HydrophobicContact CB-CH2 3.77Å; L35-W56 HydrophobicContact CB-CZ2 3.8Å; L35-W56 HydrophobicContact CB-CZ3 3.9Å; L35-W56 HydrophobicContact CD1-CD2 4.19Å; L35-W56 HydrophobicContact CD1-CG 4.36Å; L35-W56 HydrophobicContact CD1-CZ2 4.17Å; L35-W56 HydrophobicContact CD2-CZ2 4.14Å; L35-W56 HydrophobicContact CG-CZ2 4.26Å |
| 36 | I | 97.4 | Very high | 79.8 | Confident | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.005 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 127.4 | 171.6 | -53.9 | 177.7 | 0 | 0 | 0 | 106.9 | I11 T12 V13 Y34 T38 S54 L55 R57 F62 L114 F132 L133 | I11-I36 HydrophobicContact CG2-CG2 4.32Å; T12-I36 WeakPolarHBondContact O-CA 3.47Å; V13-I36 HydrophobicContact CG2-CG1 4.41Å; Y34-I36 PolarHBondContact O-N 3.5Å; I36-T38 HydrophobicContact CG2-CG2 4.31Å; I36-S54 CarbonylContact O-C 3.59Å; I36-S54 VanDerWaalsContact O-CA 3.27Å; I36-S54 WeakPolarHBondContact O-CA 3.39Å; I36-L55 HydrophobicContact CB-CD1 4.14Å; I36-L55 HydrophobicContact CD1-CD1 4.09Å; I36-L55 HydrophobicContact CG1-CD1 4.4Å; I36-L55 PolarHBondContact N-O 2.99Å; I36-L55 PolarHBondContact O-N 3.3Å; I36-R57 HydrophobicContact CD1-CB 3.94Å; I36-R57 HydrophobicContact CD1-CG 3.47Å; I36-R57 VanDerWaalsContact CD1-CG 3.47Å; I36-R57 HydrophobicContact CG1-CG 4.34Å; I36-F62 HydrophobicContact CD1-CE1 4.27Å; I36-F62 HydrophobicContact CD1-CZ 3.76Å; I36-F62 HydrophobicContact CG1-CZ 4.27Å; I36-L114 HydrophobicContact CD1-CD1 3.97Å; I36-L114 HydrophobicContact CG1-CD1 4.32Å; I36-L114 HydrophobicContact CG2-CD1 4.12Å; I36-F132 HydrophobicContact CD1-CD1 4.38Å; I36-F132 HydrophobicContact CD1-CE1 3.53Å; I36-F132 HydrophobicContact CD1-CZ 4.03Å; I36-L133 HydrophobicContact CG2-CD2 3.93Å |
| 37 | E | 95 | Very high | 78.5 | Confident | 58 Ų | 58 | 77.4 Ų | 77.4 | 27% | 0.271 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 137.4 | 172.9 | -63.3 | 177.8 | 123.2 | 0 | 0 | 109.2 | T12 S14 L35 V52 D53 | T12-E37 PolarHBondContact N-O 2.95Å; T12-E37 PolarHBondContact O-N 3.28Å; S14-E37 WeakPolarHBondContact CB-OE2 3.43Å; S14-E37 PolarHBondContact OG-OE2 2.94Å; L35-E37 HydrophobicContact CD2-CG 4.4Å; L35-E37 HydrophobicContact CG-CG 4.13Å; E37-V52 HydrophobicContact CB-CG1 3.88Å; E37-V52 HydrophobicContact CG-CG1 4.22Å; E37-D53 CarbonylContact C-O 3.52Å; E37-D53 WeakPolarHBondContact CA-O 3.39Å |
| 38 | T | 92.4 | Very high | 77 | Confident | 8 Ų | 8 | 79.6 Ų | 79.6 | 5% | 0.049 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 134.7 | 177.8 | 56.7 | 0 | 0 | 0 | 0 | 110.5 | I9 E10 I11 I36 D53 L133 | I9-T38 HydrophobicContact CG2-CG2 4.21Å; E10-T38 VanDerWaalsContact O-CA 3.29Å; E10-T38 WeakPolarHBondContact O-CA 3.48Å; I11-T38 HydrophobicContact CG1-CG2 4.28Å; I36-T38 HydrophobicContact CG2-CG2 4.31Å; T38-D53 PolarHBondContact N-O 3.07Å; T38-D53 PolarHBondContact O-N 3.03Å; T38-D53 PolarHBondContact OG1-O 3.12Å; T38-L133 HydrophobicContact CG2-CB 4.14Å; T38-L133 HydrophobicContact CG2-CD2 4.33Å |
| 39 | R | 87.7 | Confident | 75.4 | Confident | 82 Ų | 82 | 77.1 Ų | 77.1 | 31% | 0.309 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 129.3 | 178.3 | -178.2 | -167.4 | -61.9 | -86.7 | -0.6 | 109.5 | I9 E10 V41 C49 V52 | I9-R39 CarbonylContact C-O 3.56Å; I9-R39 VanDerWaalsContact CA-O 3.28Å; I9-R39 WeakPolarHBondContact CA-O 3.28Å; E10-R39 HydrophobicContact CB-CB 4.28Å; E10-R39 PolarHBondContact N-O 3.23Å; E10-R39 PolarHBondContact O-N 3.32Å; E10-R39 WeakPolarHBondContact OE2-CD 3.13Å; E10-R39 IonicContact OE2-NE 3.3Å; R39-V41 PolarHBondContact O-N 3.29Å; R39-C49 PolarHBondContact NH1-SG 2.91Å; R39-V52 VanDerWaalsContact NH2-CG2 3.35Å |
| 40 | A | 80.8 | Confident | 74.1 | Confident | 49 Ų | 49 | 74.3 Ų | 74.3 | 41% | 0.405 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 128.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | E42 | A40-E42 PolarHBondContact O-N 2.83Å |
| 41 | V | 72.8 | Confident | 73.2 | Confident | 74 Ų | 74 | 76 Ų | 76 | 45% | 0.448 | 43% | 0.427 | S | S | . | . | trans | -84.8 | 85 | 173.4 | -175.5 | 0 | 0 | 0 | 0 | 107 | K8 E10 R39 S43 | K8-V41 PolarHBondContact O-N 3.38Å; E10-V41 HydrophobicContact CB-CG2 4.21Å; R39-V41 PolarHBondContact O-N 3.29Å; V41-S43 PolarHBondContact O-N 3.2Å | ||
| 42 | E | 60.2 | Low | 72.6 | Confident | 112 Ų | 112 | 75.8 Ų | 75.8 | 52% | 0.523 | 43% | 0.432 | S | S | . | . | trans | -63 | 132 | 173.9 | -80.5 | 175.9 | -153 | 0 | 0 | 110.3 | A40 Q44 S50 | A40-E42 PolarHBondContact O-N 2.83Å; E42-Q44 PolarHBondContact O-N 2.72Å; E42-S50 PolarHBondContact OE1-OG 3.11Å | ||
| 43 | S | 51 | Low | 72.3 | Confident | 118 Ų | 118 | 79.4 Ų | 79.4 | 83% | 0.825 | 45% | 0.451 | S | S | * | . | trans | -64.9 | 105.7 | 172.7 | -61.5 | 0 | 0 | 0 | 0 | 108.3 | V41 N45 | V41-S43 PolarHBondContact O-N 3.2Å; S43-N45 PolarHBondContact O-N 2.78Å | ||
| 44 | Q | 48 | Very low | 72.3 | Confident | 193 Ų | 193 | 82.4 Ų | 82.4 | 90% | 0.902 | 47% | 0.472 | S | S | * | . | S | Bend | trans | 0.4 | 88.4 | 175.1 | -67.6 | -161.3 | -11.9 | 0 | 0 | 115 | E42 | E42-Q44 PolarHBondContact O-N 2.72Š|
| 45 | N | 44.8 | Very low | 72.2 | Confident | 137 Ų | 137 | 82.6 Ų | 82.6 | 73% | 0.733 | 47% | 0.473 | S | S | * | . | trans | -144.5 | 110.1 | 154.2 | -104.5 | -8.2 | 0 | 0 | 0 | 108.8 | S43 | S43-N45 PolarHBondContact O-N 2.78Š| ||
| 46 | E | 50.9 | Low | 72.1 | Confident | 189 Ų | 189 | 85 Ų | 85 | 88% | 0.883 | 48% | 0.481 | S | S | * | . | S | Bend | trans | 24.6 | 98.3 | 159.2 | -59.5 | -174.4 | 162.3 | 0 | 0 | 119.1 | Q48 | E46-Q48 PolarHBondContact O-N 3.42Š|
| 47 | G | 52.1 | Low | 72.1 | Confident | 87 Ų | 87 | 85.2 Ų | 85.2 | 90% | 0.897 | 48% | 0.482 | S | S | * | . | S | Bend | trans | 88.6 | 0.6 | 131 | 0 | 0 | 0 | 0 | 0 | 119 | ||
| 48 | Q | 50.2 | Low | 72.1 | Confident | 168 Ų | 168 | 85.6 Ų | 85.6 | 79% | 0.785 | 48% | 0.481 | S | S | * | . | trans | -109.8 | 118.9 | 171.1 | -79.2 | 176.5 | -15.2 | 0 | 0 | 110.9 | E46 S50 | E46-Q48 PolarHBondContact O-N 3.42Å; Q48-S50 PolarHBondContact O-N 2.96Å | ||
| 49 | C | 51 | Low | 72.2 | Confident | 109 Ų | 109 | 86.6 Ų | 86.6 | 74% | 0.736 | 48% | 0.484 | S | S | * | . | trans | -69.2 | 109.1 | 169.7 | -134.1 | 0 | 0 | 0 | 0 | 106.9 | R39 | R39-C49 PolarHBondContact NH1-SG 2.91Š| ||
| 50 | S | 60.1 | Low | 72.5 | Confident | 13 Ų | 13 | 84.6 Ų | 84.6 | 9% | 0.091 | 48% | 0.482 | C | S | . | . | trans | -53.6 | 142.8 | 175 | -45.7 | 0 | 0 | 0 | 0 | 109.9 | E42 Q48 V52 | E42-S50 PolarHBondContact OE1-OG 3.11Å; Q48-S50 PolarHBondContact O-N 2.96Å; S50-V52 PolarHBondContact O-N 3.33Å | ||
| 51 | P | 69.6 | Low | 73.3 | Confident | 103 Ų | 103 | 83.2 Ų | 83.2 | 67% | 0.669 | 47% | 0.467 | S | S | * | . | trans | -57.6 | 136.7 | 179.9 | 24.2 | -32.7 | 0 | 0 | 0 | 110.2 | ||||
| 52 | V | 77.4 | Confident | 74.5 | Confident | 59 Ų | 59 | 79.7 Ų | 79.7 | 36% | 0.358 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 115 | 172.9 | 179.5 | 0 | 0 | 0 | 0 | 106.9 | E37 R39 S50 | E37-V52 HydrophobicContact CB-CG1 3.88Å; E37-V52 HydrophobicContact CG-CG1 4.22Å; R39-V52 VanDerWaalsContact NH2-CG2 3.35Å; S50-V52 PolarHBondContact O-N 3.33Å |
| 53 | D | 87.6 | Confident | 76.2 | Confident | 92 Ų | 92 | 77 Ų | 77 | 49% | 0.492 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 127.1 | 170.3 | -72.5 | -32.5 | 0 | 0 | 0 | 108 | E37 T38 | E37-D53 CarbonylContact C-O 3.52Å; E37-D53 WeakPolarHBondContact CA-O 3.39Å; T38-D53 PolarHBondContact N-O 3.07Å; T38-D53 PolarHBondContact O-N 3.03Å; T38-D53 PolarHBondContact OG1-O 3.12Å |
| 54 | S | 93.8 | Very high | 78.4 | Confident | 65 Ų | 65 | 73.2 Ų | 73.2 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 136.5 | -177.1 | 71.9 | 0 | 0 | 0 | 0 | 111.1 | I36 | I36-S54 CarbonylContact O-C 3.59Å; I36-S54 VanDerWaalsContact O-CA 3.27Å; I36-S54 WeakPolarHBondContact O-CA 3.39Å |
| 55 | L | 96 | Very high | 80.7 | Confident | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.026 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 159.6 | 175 | 61 | 74 | 0 | 0 | 0 | 112.3 | I36 R57 L133 E136 | I36-L55 HydrophobicContact CB-CD1 4.14Å; I36-L55 HydrophobicContact CD1-CD1 4.09Å; I36-L55 HydrophobicContact CG1-CD1 4.4Å; I36-L55 PolarHBondContact N-O 2.99Å; I36-L55 PolarHBondContact O-N 3.3Å; L55-R57 HydrophobicContact CD1-CG 3.57Å; L55-R57 VanDerWaalsContact CD1-CZ 3.43Å; L55-L133 WeakPolarHBondContact CD2-O 3.44Å; L55-E136 HydrophobicContact CB-CG 4.33Å |
| 56 | W | 96.2 | Very high | 83.2 | Confident | 63 Ų | 63 | 59.3 Ų | 59.3 | 24% | 0.239 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 133.8 | -179.6 | -70.3 | 86.7 | 0 | 0 | 0 | 111.7 | E15 E17 R19 A33 Y34 L35 | E15-W56 HydrophobicContact CB-CH2 4.01Å; E17-W56 HydrophobicContact CB-CH2 3.66Å; E17-W56 HydrophobicContact CB-CZ3 3.61Å; R19-W56 VanDerWaalsContact CZ-CD2 3.41Å; R19-W56 VanDerWaalsContact CZ-CG 3.47Å; A33-W56 HydrophobicContact CB-CE3 3.72Å; A33-W56 HydrophobicContact CB-CZ3 4.4Å; A33-W56 WeakPolarHBondContact O-CZ3 3.46Å; Y34-W56 VanDerWaalsContact C-CE3 3.47Å; Y34-W56 WeakPolarHBondContact O-CA 3.35Å; L35-W56 HydrophobicContact CB-CD2 4.13Å; L35-W56 HydrophobicContact CB-CE3 4.08Å; L35-W56 HydrophobicContact CB-CH2 3.77Å; L35-W56 HydrophobicContact CB-CZ2 3.8Å; L35-W56 HydrophobicContact CB-CZ3 3.9Å; L35-W56 HydrophobicContact CD1-CD2 4.19Å; L35-W56 HydrophobicContact CD1-CG 4.36Å; L35-W56 HydrophobicContact CD1-CZ2 4.17Å; L35-W56 HydrophobicContact CD2-CZ2 4.14Å; L35-W56 HydrophobicContact CG-CZ2 4.26Å |
| 57 | R | 96.5 | Very high | 85.4 | Confident | 6 Ų | 6 | 54 Ų | 54 | 2% | 0.023 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 138 | 173.5 | -64.4 | -63.4 | -176.8 | -123.4 | 0.3 | 111.7 | A33 Y34 I36 L55 E61 F62 F132 Q135 E136 | A33-R57 CarbonylContact C-O 3.53Å; Y34-R57 WeakPolarHBondContact CD2-O 3.45Å; Y34-R57 PolarHBondContact N-O 3.47Å; Y34-R57 PolarHBondContact O-N 2.93Å; I36-R57 HydrophobicContact CD1-CB 3.94Å; I36-R57 HydrophobicContact CD1-CG 3.47Å; I36-R57 VanDerWaalsContact CD1-CG 3.47Å; I36-R57 HydrophobicContact CG1-CG 4.34Å; L55-R57 HydrophobicContact CD1-CG 3.57Å; L55-R57 VanDerWaalsContact CD1-CZ 3.43Å; R57-E61 VanDerWaalsContact CA-OE2 3.29Å; R57-E61 WeakPolarHBondContact CA-OE2 3.15Å; R57-F62 HydrophobicContact CB-CD2 4.24Å; R57-F62 HydrophobicContact CB-CE2 3.52Å; R57-F62 HydrophobicContact CB-CZ 4.1Å; R57-F132 HydrophobicContact CB-CE2 4.46Å; R57-F132 HydrophobicContact CB-CZ 4.05Å; R57-F132 HydrophobicContact CG-CE1 4.19Å; R57-F132 HydrophobicContact CG-CE2 3.91Å; R57-F132 HydrophobicContact CG-CZ 3.64Å; R57-F132 PolarHBondContact NE-O 3.42Å; R57-F132 PolarHBondContact NH2-O 2.99Å; R57-Q135 PolarHBondContact NH2-O 3.23Å; R57-E136 PolarHBondContact NH1-O 3.47Å; R57-E136 VanDerWaalsContact NH1-O 3.09Å |
| 58 | R | 95.1 | Very high | 87.5 | Confident | 66 Ų | 66 | 50.7 Ų | 50.7 | 25% | 0.249 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 157.2 | 171 | 70.9 | -178.6 | -158.1 | 152.6 | 11.6 | 111.2 | E29 Y31 S60 E61 F62 | E29-R58 IonicContact OE2-NH1 2.77Å; E29-R58 PolarHBondContact OE2-NH1 2.91Å; Y31-R58 HydrophobicContact CD2-CB 3.56Å; Y31-R58 HydrophobicContact CD2-CG 4.31Å; Y31-R58 HydrophobicContact CE2-CB 3.85Å; Y31-R58 HydrophobicContact CE2-CG 4.44Å; R58-S60 VanDerWaalsContact C-N 3.27Å; R58-S60 PolarHBondContact NE-OG 3.36Å; R58-S60 PolarHBondContact NH2-OG 2.66Å; R58-S60 PolarHBondContact O-N 3.24Å; R58-S60 VanDerWaalsContact O-N 3.08Å; R58-E61 HydrophobicContact CG-CG 3.87Å; R58-E61 WeakPolarHBondContact CG-OE2 3.38Å; R58-E61 PolarHBondContact N-OE2 2.91Å; R58-E61 VanDerWaalsContact O-CB 3.27Å; R58-E61 WeakPolarHBondContact O-CB 3.37Å; R58-E61 PolarHBondContact O-N 2.95Å; R58-F62 WeakPolarHBondContact O-CD2 3.47Å |
| 59 | Y | 94.6 | Very high | 89.8 | Confident | 29 Ų | 29 | 42.7 Ų | 42.7 | 11% | 0.114 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -50.3 | -40.9 | -176.8 | -176.5 | -91.6 | 0 | 0 | 0 | 114.5 | E61 F62 E63 L81 P82 K84 R106 L110 | Y59-E61 PolarHBondContact O-N 2.99Å; Y59-F62 WeakPolarHBondContact O-CB 3.48Å; Y59-F62 PolarHBondContact O-N 2.88Å; Y59-F62 VanDerWaalsContact O-N 3.08Å; Y59-E63 HydrophobicContact CD1-CG 3.92Å; Y59-E63 VanDerWaalsContact CE1-CD 3.46Å; Y59-E63 HydrophobicContact CE1-CG 3.55Å; Y59-E63 PolarHBondContact O-N 3.34Å; Y59-L81 HydrophobicContact CE2-CB 4.48Å; Y59-P82 HydrophobicContact CE2-CG 4.36Å; Y59-P82 PolarHBondContact OH-O 2.92Å; Y59-K84 HydrophobicContact CE1-CG 4.43Å; Y59-R106 HydrophobicContact CD2-CG 4.19Å; Y59-R106 HydrophobicContact CE2-CG 4.47Å; Y59-L110 HydrophobicContact CD2-CD1 4.42Å; Y59-L110 HydrophobicContact CD2-CD2 4.07Å; Y59-L110 HydrophobicContact CE2-CD2 4.24Å |
| 60 | S | 94.2 | Very high | 91.9 | Very high | 39 Ų | 39 | 39.4 Ų | 39.4 | 27% | 0.273 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67 | -18.2 | 179.1 | 57.5 | 0 | 0 | 0 | 0 | 114.6 | R58 E63 L64 | R58-S60 VanDerWaalsContact C-N 3.27Å; R58-S60 PolarHBondContact NE-OG 3.36Å; R58-S60 PolarHBondContact NH2-OG 2.66Å; R58-S60 PolarHBondContact O-N 3.24Å; R58-S60 VanDerWaalsContact O-N 3.08Å; S60-E63 WeakPolarHBondContact CA-OE2 3.49Å; S60-L64 PolarHBondContact O-N 3.33Å |
| 61 | E | 96.5 | Very high | 93.5 | Very high | 20 Ų | 20 | 40.6 Ų | 40.6 | 9% | 0.093 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -74.7 | -37.5 | 171.8 | -66.8 | 179.6 | 114.6 | 0 | 0 | 111.2 | R57 R58 Y59 E63 L64 L65 F132 W139 K140 | R57-E61 VanDerWaalsContact CA-OE2 3.29Å; R57-E61 WeakPolarHBondContact CA-OE2 3.15Å; R58-E61 HydrophobicContact CG-CG 3.87Å; R58-E61 WeakPolarHBondContact CG-OE2 3.38Å; R58-E61 PolarHBondContact N-OE2 2.91Å; R58-E61 VanDerWaalsContact O-CB 3.27Å; R58-E61 WeakPolarHBondContact O-CB 3.37Å; R58-E61 PolarHBondContact O-N 2.95Å; Y59-E61 PolarHBondContact O-N 2.99Å; E61-E63 VanDerWaalsContact C-N 3.32Å; E61-L64 WeakPolarHBondContact O-CB 3.43Å; E61-L64 PolarHBondContact O-N 3.36Å; E61-L65 PolarHBondContact O-N 3.12Å; E61-F132 HydrophobicContact CB-CE2 4.08Å; E61-W139 HydrophobicContact CB-CH2 4.17Å; E61-W139 HydrophobicContact CB-CZ2 3.77Å; E61-W139 HydrophobicContact CG-CZ2 4.02Å; E61-K140 WeakPolarHBondContact OE1-CE 3.4Å; E61-K140 IonicContact OE1-NZ 2.92Å; E61-K140 PolarHBondContact OE1-NZ 3.02Å |
| 62 | F | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.2 | -38.3 | 169.4 | -66.2 | -100.1 | 0 | 0 | 0 | 111.3 | Y34 I36 R57 R58 Y59 L64 L65 R66 L81 L110 F113 L114 F132 | Y34-F62 HydrophobicContact CD2-CE2 4.48Å; I36-F62 HydrophobicContact CD1-CE1 4.27Å; I36-F62 HydrophobicContact CD1-CZ 3.76Å; I36-F62 HydrophobicContact CG1-CZ 4.27Å; R57-F62 HydrophobicContact CB-CD2 4.24Å; R57-F62 HydrophobicContact CB-CE2 3.52Å; R57-F62 HydrophobicContact CB-CZ 4.1Å; R58-F62 WeakPolarHBondContact O-CD2 3.47Å; Y59-F62 WeakPolarHBondContact O-CB 3.48Å; Y59-F62 PolarHBondContact O-N 2.88Å; Y59-F62 VanDerWaalsContact O-N 3.08Å; F62-L64 VanDerWaalsContact C-N 3.32Å; F62-L64 PolarHBondContact O-N 2.94Å; F62-L65 PolarHBondContact O-N 3.26Å; F62-R66 WeakPolarHBondContact O-CB 3.43Å; F62-R66 PolarHBondContact O-N 3.34Å; F62-L81 HydrophobicContact CB-CD1 4.25Å; F62-L81 HydrophobicContact CB-CD2 3.78Å; F62-L110 HydrophobicContact CB-CD2 4.02Å; F62-L110 HydrophobicContact CD1-CB 4.48Å; F62-L110 HydrophobicContact CD1-CD2 3.71Å; F62-L110 HydrophobicContact CD2-CD1 4.23Å; F62-L110 HydrophobicContact CD2-CD2 4.04Å; F62-L110 HydrophobicContact CE1-CB 4Å; F62-L110 HydrophobicContact CE1-CD2 4.06Å; F62-L110 HydrophobicContact CE1-CG 4.42Å; F62-L110 HydrophobicContact CE2-CD1 3.95Å; F62-L110 HydrophobicContact CE2-CD2 4.39Å; F62-L110 HydrophobicContact CG-CD2 3.68Å; F62-L110 HydrophobicContact CZ-CB 4.17Å; F62-L110 HydrophobicContact CZ-CD1 4.12Å; F62-L110 HydrophobicContact CZ-CD2 4.39Å; F62-L110 HydrophobicContact CZ-CG 4.46Å; F62-F113 AromaticContact CD1-CD1 3.99Å; F62-F113 HydrophobicContact CD1-CD1 3.99Å; F62-F113 HydrophobicContact CD1-CE1 4.17Å; F62-L114 HydrophobicContact CD1-CD2 4.26Å; F62-L114 HydrophobicContact CE1-CD1 3.92Å; F62-L114 HydrophobicContact CE1-CD2 3.91Å; F62-L114 HydrophobicContact CE1-CG 3.94Å; F62-F132 HydrophobicContact CD1-CE1 4.21Å; F62-F132 AromaticContact CD1-CZ 3.81Å; F62-F132 HydrophobicContact CD1-CZ 3.81Å; F62-F132 HydrophobicContact CD2-CZ 4.1Å; F62-F132 AromaticContact CE1-CE1 3.98Å; F62-F132 HydrophobicContact CE1-CE1 3.98Å; F62-F132 AromaticContact CE1-CZ 3.85Å; F62-F132 HydrophobicContact CE1-CZ 3.85Å; F62-F132 HydrophobicContact CE2-CZ 4.12Å; F62-F132 AromaticContact CG-CZ 3.95Å; F62-F132 HydrophobicContact CG-CZ 3.95Å; F62-F132 HydrophobicContact CZ-CE1 4.33Å; F62-F132 HydrophobicContact CZ-CZ 4Å |
| 63 | E | 96.5 | Very high | 95.7 | Very high | 56 Ų | 56 | 37.2 Ų | 37.2 | 26% | 0.262 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.5 | -44.2 | 172.3 | -67.4 | -178.3 | 119 | 0 | 0 | 111.2 | Y59 S60 E61 R66 N67 L81 K84 | Y59-E63 HydrophobicContact CD1-CG 3.92Å; Y59-E63 VanDerWaalsContact CE1-CD 3.46Å; Y59-E63 HydrophobicContact CE1-CG 3.55Å; Y59-E63 PolarHBondContact O-N 3.34Å; S60-E63 WeakPolarHBondContact CA-OE2 3.49Å; E61-E63 VanDerWaalsContact C-N 3.32Å; E63-R66 PolarHBondContact O-N 3.04Å; E63-N67 WeakPolarHBondContact O-CB 3.48Å; E63-N67 PolarHBondContact O-N 3.13Å; E63-N67 PolarHBondContact O-ND2 2.92Å; E63-N67 VanDerWaalsContact O-ND2 3.07Å; E63-L81 HydrophobicContact CB-CD1 4.35Å; E63-L81 HydrophobicContact CG-CD1 3.91Å; E63-K84 IonicContact OE1-NZ 3.18Å; E63-K84 IonicContact OE2-NZ 2.77Å |
| 64 | L | 96.8 | Very high | 96.1 | Very high | 38 Ų | 38 | 34.4 Ų | 34.4 | 20% | 0.199 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.5 | -49 | 177.4 | 178.6 | 61 | 0 | 0 | 0 | 111.8 | S60 E61 F62 R66 N67 Y68 W139 K140 V143 F148 | S60-L64 PolarHBondContact O-N 3.33Å; E61-L64 WeakPolarHBondContact O-CB 3.43Å; E61-L64 PolarHBondContact O-N 3.36Å; F62-L64 VanDerWaalsContact C-N 3.32Å; F62-L64 PolarHBondContact O-N 2.94Å; L64-R66 PolarHBondContact O-N 3.14Å; L64-N67 PolarHBondContact O-N 3.49Å; L64-Y68 WeakPolarHBondContact O-CB 2.8Å; L64-Y68 PolarHBondContact O-N 2.94Å; L64-W139 HydrophobicContact CB-CH2 4.26Å; L64-W139 HydrophobicContact CD2-CH2 3.84Å; L64-W139 HydrophobicContact CD2-CZ3 4.16Å; L64-W139 HydrophobicContact CG-CH2 4.2Å; L64-W139 HydrophobicContact CG-CZ3 4.38Å; L64-K140 HydrophobicContact CD2-CG 4.04Å; L64-V143 HydrophobicContact CD1-CG1 4.04Å; L64-V143 HydrophobicContact CG-CG1 4.28Å; L64-F148 HydrophobicContact CD1-CE1 4.18Å; L64-F148 HydrophobicContact CD1-CZ 3.87Å |
| 65 | L | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.6 | -50 | 176.4 | 172 | 63.3 | 0 | 0 | 0 | 110.9 | E61 F62 N67 Y68 L69 F113 L114 I128 F129 F132 | E61-L65 PolarHBondContact O-N 3.12Å; F62-L65 PolarHBondContact O-N 3.26Å; L65-N67 VanDerWaalsContact C-N 3.35Å; L65-N67 PolarHBondContact O-N 3.1Å; L65-Y68 WeakPolarHBondContact O-CB 3.37Å; L65-Y68 PolarHBondContact O-N 3.46Å; L65-L69 HydrophobicContact CD1-CD1 4.24Å; L65-L69 HydrophobicContact CD1-CG 4.24Å; L65-L69 HydrophobicContact CG-CD1 4.27Å; L65-L69 WeakPolarHBondContact O-CG 3.4Å; L65-L69 PolarHBondContact O-N 2.81Å; L65-F113 HydrophobicContact CD2-CE1 3.97Å; L65-F113 HydrophobicContact CD2-CZ 4.36Å; L65-L114 HydrophobicContact CD2-CD2 4.47Å; L65-I128 HydrophobicContact CD1-CG2 4.1Å; L65-F129 HydrophobicContact CD2-CD2 3.99Å; L65-F129 HydrophobicContact CD2-CE2 4.5Å; L65-F132 HydrophobicContact CB-CD2 4.27Å; L65-F132 HydrophobicContact CB-CE2 4.41Å; L65-F132 HydrophobicContact CD2-CB 4.31Å; L65-F132 HydrophobicContact CD2-CD1 3.72Å; L65-F132 HydrophobicContact CD2-CD2 4.09Å; L65-F132 HydrophobicContact CD2-CE1 3.99Å; L65-F132 HydrophobicContact CD2-CE2 4.33Å; L65-F132 HydrophobicContact CD2-CG 3.77Å; L65-F132 HydrophobicContact CD2-CZ 4.28Å |
| 66 | R | 97.3 | Very high | 96.3 | Very high | 39 Ų | 39 | 33.2 Ų | 33.2 | 15% | 0.147 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.1 | -41.8 | 179.8 | -179 | 171.1 | 177.4 | -82.5 | -1.1 | 112.3 | F62 E63 L64 Y68 L69 L70 V78 P79 L81 F113 | F62-R66 WeakPolarHBondContact O-CB 3.43Å; F62-R66 PolarHBondContact O-N 3.34Å; E63-R66 PolarHBondContact O-N 3.04Å; L64-R66 PolarHBondContact O-N 3.14Å; R66-Y68 VanDerWaalsContact C-N 3.32Å; R66-Y68 PolarHBondContact O-N 2.93Å; R66-L69 PolarHBondContact O-N 3.31Å; R66-L70 HydrophobicContact CG-CD1 4.29Å; R66-L70 WeakPolarHBondContact O-CG 3.35Å; R66-L70 PolarHBondContact O-N 2.87Å; R66-V78 HydrophobicContact CG-CG1 4.15Å; R66-P79 WeakPolarHBondContact CD-O 3.19Å; R66-P79 PolarHBondContact NE-O 2.96Å; R66-L81 HydrophobicContact CB-CD1 4.12Å; R66-L81 HydrophobicContact CB-CG 4.38Å; R66-F113 HydrophobicContact CB-CE2 4.19Å; R66-F113 HydrophobicContact CB-CZ 4.05Å; R66-F113 HydrophobicContact CG-CE2 4.29Å |
| 67 | N | 96.1 | Very high | 96.3 | Very high | 77 Ų | 77 | 30.5 Ų | 30.5 | 41% | 0.412 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63.7 | -40.2 | 177.5 | -72.2 | -27.6 | 0 | 0 | 0 | 111.7 | E63 L64 L65 L70 V71 F148 | E63-N67 WeakPolarHBondContact O-CB 3.48Å; E63-N67 PolarHBondContact O-N 3.13Å; E63-N67 PolarHBondContact O-ND2 2.92Å; E63-N67 VanDerWaalsContact O-ND2 3.07Å; L64-N67 PolarHBondContact O-N 3.49Å; L65-N67 VanDerWaalsContact C-N 3.35Å; L65-N67 PolarHBondContact O-N 3.1Å; N67-L70 PolarHBondContact O-N 3.39Å; N67-V71 WeakPolarHBondContact O-CG2 3.07Å; N67-V71 PolarHBondContact O-N 3.1Å; N67-F148 HydrophobicContact CB-CE2 4.46Å |
| 68 | Y | 97.2 | Very high | 96.4 | Very high | 18 Ų | 18 | 30.2 Ų | 30.2 | 7% | 0.071 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.2 | -47.8 | 172.4 | 163.7 | -96.7 | 0 | 0 | 0 | 111.6 | L64 L65 R66 L70 V71 T72 D126 I128 V143 T146 F148 | L64-Y68 WeakPolarHBondContact O-CB 2.8Å; L64-Y68 PolarHBondContact O-N 2.94Å; L65-Y68 WeakPolarHBondContact O-CB 3.37Å; L65-Y68 PolarHBondContact O-N 3.46Å; R66-Y68 VanDerWaalsContact C-N 3.32Å; R66-Y68 PolarHBondContact O-N 2.93Å; Y68-L70 PolarHBondContact O-N 2.9Å; Y68-V71 PolarHBondContact O-N 2.84Å; Y68-T72 WeakPolarHBondContact CE2-OG1 3.1Å; Y68-T72 WeakPolarHBondContact O-CB 3.28Å; Y68-T72 PolarHBondContact O-N 3.21Å; Y68-T72 PolarHBondContact O-OG1 2.97Å; Y68-D126 WeakPolarHBondContact CE1-OD1 3.48Å; Y68-D126 PolarHBondContact OH-OD2 3.45Å; Y68-I128 HydrophobicContact CD1-CB 4.02Å; Y68-I128 HydrophobicContact CD1-CG1 4.34Å; Y68-I128 HydrophobicContact CD1-CG2 3.82Å; Y68-I128 HydrophobicContact CE1-CB 3.55Å; Y68-I128 HydrophobicContact CE1-CG1 3.69Å; Y68-I128 HydrophobicContact CE1-CG2 3.91Å; Y68-I128 HydrophobicContact CE2-CG1 4.01Å; Y68-I128 HydrophobicContact CG-CG2 4.34Å; Y68-I128 VanDerWaalsContact CZ-CG1 3.49Å; Y68-V143 HydrophobicContact CD2-CG1 4.24Å; Y68-V143 HydrophobicContact CG-CG1 4.42Å; Y68-T146 HydrophobicContact CE2-CG2 3.72Å; Y68-F148 HydrophobicContact CD2-CB 4.05Å; Y68-F148 HydrophobicContact CD2-CG 4.34Å |
| 69 | L | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.4 | -40.7 | 179.4 | -65.4 | 176.3 | 0 | 0 | 0 | 112 | L65 R66 V71 T72 Y73 V78 V117 L123 D126 | L65-L69 HydrophobicContact CD1-CD1 4.24Å; L65-L69 HydrophobicContact CD1-CG 4.24Å; L65-L69 HydrophobicContact CG-CD1 4.27Å; L65-L69 WeakPolarHBondContact O-CG 3.4Å; L65-L69 PolarHBondContact O-N 2.81Å; R66-L69 PolarHBondContact O-N 3.31Å; L69-V71 VanDerWaalsContact C-N 3.32Å; L69-V71 PolarHBondContact O-N 2.79Å; L69-T72 PolarHBondContact O-N 2.81Å; L69-Y73 HydrophobicContact CD2-CD2 4.04Å; L69-Y73 HydrophobicContact CD2-CE2 3.87Å; L69-Y73 WeakPolarHBondContact O-CA 3.25Å; L69-Y73 WeakPolarHBondContact O-CB 3.38Å; L69-Y73 PolarHBondContact O-N 3.19Å; L69-V78 HydrophobicContact CB-CG1 4.04Å; L69-V78 HydrophobicContact CB-CG2 4.43Å; L69-V117 HydrophobicContact CD1-CG1 4.07Å; L69-V117 HydrophobicContact CD1-CG2 4.16Å; L69-L123 HydrophobicContact CD2-CD2 4.26Å; L69-D126 HydrophobicContact CD2-CB 4.48Å |
| 70 | L | 95.4 | Very high | 96.6 | Very high | 40 Ų | 40 | 26.3 Ų | 26.3 | 21% | 0.209 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.3 | -39.5 | 176.8 | -80.5 | 170.7 | 0 | 0 | 0 | 113 | R66 N67 Y68 P74 V78 A268 | R66-L70 HydrophobicContact CG-CD1 4.29Å; R66-L70 WeakPolarHBondContact O-CG 3.35Å; R66-L70 PolarHBondContact O-N 2.87Å; N67-L70 PolarHBondContact O-N 3.39Å; Y68-L70 PolarHBondContact O-N 2.9Å; L70-P74 WeakPolarHBondContact O-CA 3.46Å; L70-V78 HydrophobicContact CD2-CB 3.77Å; L70-V78 HydrophobicContact CD2-CG1 4.46Å; L70-V78 HydrophobicContact CD2-CG2 3.87Å; L70-V78 HydrophobicContact CG-CB 4.2Å; L70-V78 HydrophobicContact CG-CG1 4.38Å; L70-V78 HydrophobicContact CG-CG2 4.28Å; L70-A268 HydrophobicContact CD2-CB 4.47Å |
| 71 | V | 94.5 | Very high | 96.7 | Very high | 37 Ų | 37 | 25.3 Ų | 25.3 | 22% | 0.224 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -78.2 | -39 | -179.9 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | N67 Y68 L69 F148 K151 A152 | N67-V71 WeakPolarHBondContact O-CG2 3.07Å; N67-V71 PolarHBondContact O-N 3.1Å; Y68-V71 PolarHBondContact O-N 2.84Å; L69-V71 VanDerWaalsContact C-N 3.32Å; L69-V71 PolarHBondContact O-N 2.79Å; V71-F148 HydrophobicContact CB-CD2 4.36Å; V71-F148 HydrophobicContact CG1-CB 4.35Å; V71-F148 WeakPolarHBondContact CG1-O 3.47Å; V71-F148 HydrophobicContact CG2-CD2 4.23Å; V71-K151 HydrophobicContact CG1-CB 3.61Å; V71-A152 HydrophobicContact CG2-CB 3.92Å |
| 72 | T | 95.4 | Very high | 96.6 | Very high | 47 Ų | 47 | 25.4 Ų | 25.4 | 29% | 0.288 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -74.8 | -36 | -177.2 | -56.1 | 0 | 0 | 0 | 0 | 112 | Y68 L69 P74 | Y68-T72 WeakPolarHBondContact CE2-OG1 3.1Å; Y68-T72 WeakPolarHBondContact O-CB 3.28Å; Y68-T72 PolarHBondContact O-N 3.21Å; Y68-T72 PolarHBondContact O-OG1 2.97Å; L69-T72 PolarHBondContact O-N 2.81Å; T72-P74 VanDerWaalsContact O-CD 3.27Å; T72-P74 WeakPolarHBondContact O-CD 3.35Å |
| 73 | Y | 96.5 | Very high | 96 | Very high | 45 Ų | 45 | 26.3 Ų | 26.3 | 18% | 0.176 | 14% | 0.136 | C | C | . | . | trans | -121.5 | 64 | -177.1 | -57.5 | -79.2 | 0 | 0 | 0 | 111.4 | L69 H75 I76 L123 D126 | L69-Y73 HydrophobicContact CD2-CD2 4.04Å; L69-Y73 HydrophobicContact CD2-CE2 3.87Å; L69-Y73 WeakPolarHBondContact O-CA 3.25Å; L69-Y73 WeakPolarHBondContact O-CB 3.38Å; L69-Y73 PolarHBondContact O-N 3.19Å; Y73-H75 PolarHBondContact O-N 3.16Å; Y73-H75 VanDerWaalsContact O-N 3.1Å; Y73-I76 HydrophobicContact CD1-CD1 3.98Å; Y73-I76 HydrophobicContact CG-CD1 4.12Å; Y73-I76 PolarHBondContact O-N 3.2Å; Y73-L123 HydrophobicContact CD1-CD2 4.32Å; Y73-L123 HydrophobicContact CD2-CD2 3.46Å; Y73-L123 VanDerWaalsContact CD2-CD2 3.46Å; Y73-L123 HydrophobicContact CE2-CD2 3.96Å; Y73-L123 HydrophobicContact CG-CD2 3.67Å; Y73-D126 HydrophobicContact CE2-CB 4.44Å; Y73-D126 VanDerWaalsContact CE2-OD2 3.29Å; Y73-D126 WeakPolarHBondContact CE2-OD2 3.43Å; Y73-D126 PolarHBondContact OH-OD2 3.03Å | ||
| 74 | P | 95.4 | Very high | 95.2 | Very high | 33 Ų | 33 | 29.4 Ų | 29.4 | 21% | 0.214 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -8.9 | -168.9 | 34 | -40.2 | 0 | 0 | 0 | 113.8 | L70 T72 K272 F351 | L70-P74 WeakPolarHBondContact O-CA 3.46Å; T72-P74 VanDerWaalsContact O-CD 3.27Å; T72-P74 WeakPolarHBondContact O-CD 3.35Å; P74-K272 HydrophobicContact CB-CD 3.96Å; P74-K272 HydrophobicContact CB-CG 3.91Å; P74-F351 HydrophobicContact CB-CE2 4.46Å; P74-F351 WeakPolarHBondContact O-CE2 3.22Å |
| 75 | H | 96.4 | Very high | 94.3 | Very high | 42 Ų | 42 | 36.2 Ų | 36.2 | 19% | 0.194 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -7.3 | 174.5 | 59 | -85.4 | 0 | 0 | 0 | 112.5 | Y73 F351 A355 | Y73-H75 PolarHBondContact O-N 3.16Å; Y73-H75 VanDerWaalsContact O-N 3.1Å; H75-F351 HydrophobicContact CB-CD2 3.93Å; H75-F351 HydrophobicContact CB-CE2 3.83Å; H75-F351 HydrophobicContact CB-CZ 4.47Å; H75-A355 HydrophobicContact CB-CB 3.96Å; H75-A355 VanDerWaalsContact O-CA 3.28Å; H75-A355 WeakPolarHBondContact O-CA 3.41Å |
| 76 | I | 97.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -97.3 | 139.7 | -177.5 | -78.2 | 164.2 | 0 | 0 | 0 | 110.5 | Y73 V78 H120 F122 L123 D358 | Y73-I76 HydrophobicContact CD1-CD1 3.98Å; Y73-I76 HydrophobicContact CG-CD1 4.12Å; Y73-I76 PolarHBondContact O-N 3.2Å; I76-V78 HydrophobicContact CB-CG2 4.46Å; I76-V78 HydrophobicContact CG2-CG2 3.97Å; I76-V78 PolarHBondContact O-N 2.68Å; I76-H120 WeakPolarHBondContact CD1-CE1 3.29Å; I76-H120 WeakPolarHBondContact CG2-NE2 3.37Å; I76-F122 HydrophobicContact CD1-CB 3.9Å; I76-F122 HydrophobicContact CD1-CD2 4.2Å; I76-F122 HydrophobicContact CD1-CG 4.37Å; I76-L123 HydrophobicContact CD1-CD2 4.09Å; I76-L123 HydrophobicContact CG2-CD1 4.11Å; I76-L123 HydrophobicContact CG2-CD2 4.28Å; I76-L123 HydrophobicContact CG2-CG 4.35Å; I76-D358 WeakPolarHBondContact CA-OD2 3.34Å |
| 77 | V | 97.9 | Very high | 92.2 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 4% | 0.036 | 20% | 0.2 | C | C | . | . | trans | -74 | 79.8 | 167.5 | -171.9 | 0 | 0 | 0 | 0 | 108.4 | Y262 A265 L266 V269 D358 I359 F362 | V77-Y262 HydrophobicContact CG1-CD1 3.87Å; V77-Y262 HydrophobicContact CG1-CE1 4.32Å; V77-A265 HydrophobicContact CG1-CB 3.76Å; V77-L266 HydrophobicContact CG1-CD2 4.17Å; V77-L266 HydrophobicContact CG1-CG 4.43Å; V77-L266 HydrophobicContact CG2-CD2 3.79Å; V77-V269 HydrophobicContact CG2-CG2 4.29Å; V77-D358 PolarHBondContact N-OD2 2.98Å; V77-I359 HydrophobicContact CG2-CG1 4.27Å; V77-F362 HydrophobicContact CB-CB 4.35Å; V77-F362 HydrophobicContact CB-CD2 4.36Å; V77-F362 HydrophobicContact CB-CG 4.29Å; V77-F362 HydrophobicContact CG1-CD1 4.5Å; V77-F362 HydrophobicContact CG1-CD2 3.85Å; V77-F362 HydrophobicContact CG1-CE2 4.15Å; V77-F362 HydrophobicContact CG1-CG 4.04Å; V77-F362 HydrophobicContact CG2-CB 4.21Å; V77-F362 HydrophobicContact CG2-CG 4.3Å | ||
| 78 | V | 97.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -63.2 | 130 | -175.5 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | R66 L69 L70 I76 A265 | R66-V78 HydrophobicContact CG-CG1 4.15Å; L69-V78 HydrophobicContact CB-CG1 4.04Å; L69-V78 HydrophobicContact CB-CG2 4.43Å; L70-V78 HydrophobicContact CD2-CB 3.77Å; L70-V78 HydrophobicContact CD2-CG1 4.46Å; L70-V78 HydrophobicContact CD2-CG2 3.87Å; L70-V78 HydrophobicContact CG-CB 4.2Å; L70-V78 HydrophobicContact CG-CG1 4.38Å; L70-V78 HydrophobicContact CG-CG2 4.28Å; I76-V78 HydrophobicContact CB-CG2 4.46Å; I76-V78 HydrophobicContact CG2-CG2 3.97Å; I76-V78 PolarHBondContact O-N 2.68Å; V78-A265 WeakPolarHBondContact O-CB 3.39Å |
| 79 | P | 97.3 | Very high | 90.4 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.032 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -48.9 | 135.5 | 178.1 | -30.7 | 37 | 0 | 0 | 0 | 113 | R66 F113 R116 V117 | R66-P79 WeakPolarHBondContact CD-O 3.19Å; R66-P79 PolarHBondContact NE-O 2.96Å; P79-F113 HydrophobicContact CB-CD2 3.86Å; P79-F113 HydrophobicContact CB-CE2 4.22Å; P79-F113 WeakPolarHBondContact O-CE2 3.45Å; P79-R116 HydrophobicContact CB-CB 3.8Å; P79-R116 HydrophobicContact CG-CB 3.58Å; P79-V117 HydrophobicContact CB-CG2 4.36Å; P79-V117 HydrophobicContact CG-CG2 4.01Å |
| 80 | P | 96.4 | Very high | 89.5 | Confident | 9 Ų | 9 | 40.4 Ų | 40.4 | 6% | 0.058 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -74.6 | 159.4 | 176.4 | 31.7 | -34.1 | 0 | 0 | 0 | 111.4 | F113 E258 F261 Y262 | P80-F113 WeakPolarHBondContact O-CD2 3.41Å; P80-E258 HydrophobicContact CG-CG 4.42Å; P80-F261 HydrophobicContact CB-CB 3.32Å; P80-F261 HydrophobicContact CB-CG 4.42Å; P80-F261 HydrophobicContact CG-CB 3.73Å; P80-Y262 HydrophobicContact CG-CD1 4.32Å; P80-Y262 HydrophobicContact CG-CD2 3.83Å; P80-Y262 HydrophobicContact CG-CE1 4.47Å; P80-Y262 HydrophobicContact CG-CE2 3.98Å; P80-Y262 HydrophobicContact CG-CG 4Å |
| 81 | L | 96.6 | Very high | 88.2 | Confident | 18 Ų | 18 | 45.2 Ų | 45.2 | 9% | 0.094 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -88.3 | 154.1 | 166.8 | -67.6 | 170.1 | 0 | 0 | 0 | 109.7 | Y59 F62 E63 R66 L110 F113 | Y59-L81 HydrophobicContact CE2-CB 4.48Å; F62-L81 HydrophobicContact CB-CD1 4.25Å; F62-L81 HydrophobicContact CB-CD2 3.78Å; E63-L81 HydrophobicContact CB-CD1 4.35Å; E63-L81 HydrophobicContact CG-CD1 3.91Å; R66-L81 HydrophobicContact CB-CD1 4.12Å; R66-L81 HydrophobicContact CB-CG 4.38Å; L81-L110 HydrophobicContact CD2-CD2 4Å; L81-F113 HydrophobicContact CD2-CB 4.23Å; L81-F113 HydrophobicContact CD2-CD1 3.71Å; L81-F113 HydrophobicContact CD2-CD2 3.73Å; L81-F113 HydrophobicContact CD2-CE1 3.96Å; L81-F113 HydrophobicContact CD2-CE2 3.98Å; L81-F113 HydrophobicContact CD2-CG 3.6Å; L81-F113 HydrophobicContact CD2-CZ 4.09Å; L81-F113 HydrophobicContact CG-CD2 4.45Å |
| 82 | P | 93.6 | Very high | 86.9 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 14% | 0.136 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -61.4 | 166 | 170.5 | 27.4 | -35.4 | 0 | 0 | 0 | 111.7 | Y59 R106 L110 | Y59-P82 HydrophobicContact CE2-CG 4.36Å; Y59-P82 PolarHBondContact OH-O 2.92Å; P82-R106 HydrophobicContact CG-CG 4.06Å; P82-L110 HydrophobicContact CG-CD2 3.96Å; P82-L110 HydrophobicContact CG-CG 3.99Å |
| 83 | E | 86.1 | Confident | 85.8 | Confident | 19 Ų | 19 | 46.7 Ų | 46.7 | 9% | 0.089 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 141 | -170.8 | 68 | -168.8 | 152.4 | 0 | 0 | 114 | R85 A86 D87 F102 R106 K257 F261 | E83-R85 VanDerWaalsContact C-N 3.35Å; E83-R85 WeakPolarHBondContact CB-O 3.5Å; E83-R85 WeakPolarHBondContact CG-O 3.47Å; E83-R85 VanDerWaalsContact OE2-O 3.14Å; E83-A86 WeakPolarHBondContact OE2-CA 3.47Å; E83-D87 PolarHBondContact OE2-N 3.07Å; E83-F102 HydrophobicContact CG-CE2 3.94Å; E83-F102 HydrophobicContact CG-CZ 4.48Å; E83-R106 PolarHBondContact O-NE 3.09Å; E83-R106 PolarHBondContact O-NH2 3.01Å; E83-K257 IonicContact OE1-NZ 2.82Å; E83-K257 PolarHBondContact OE1-NZ 3.49Å; E83-F261 HydrophobicContact CB-CE2 4Å; E83-F261 HydrophobicContact CB-CZ 3.68Å |
| 84 | K | 80.1 | Confident | 84.6 | Confident | 121 Ų | 121 | 46.4 Ų | 46.4 | 53% | 0.526 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -75.7 | -28.8 | 175.7 | -169.6 | 166.7 | -172.8 | 158.3 | 0 | 111.9 | Y59 E63 R106 | Y59-K84 HydrophobicContact CE1-CG 4.43Å; E63-K84 IonicContact OE1-NZ 3.18Å; E63-K84 IonicContact OE2-NZ 2.77Å; K84-R106 VanDerWaalsContact CA-NH2 3.31Å; K84-R106 PolarHBondContact O-NH2 3.34Å |
| 85 | R | 76.9 | Confident | 83.5 | Confident | 181 Ų | 181 | 48.2 Ų | 48.2 | 68% | 0.683 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -142.3 | 148.4 | 176.8 | -65.6 | -175.4 | -68.6 | -158.1 | -0.2 | 107.7 | E83 D87 | E83-R85 VanDerWaalsContact C-N 3.35Å; E83-R85 WeakPolarHBondContact CB-O 3.5Å; E83-R85 WeakPolarHBondContact CG-O 3.47Å; E83-R85 VanDerWaalsContact OE2-O 3.14Å; R85-D87 PolarHBondContact O-N 3.4Å |
| 86 | A | 76.1 | Confident | 82.7 | Confident | 17 Ų | 17 | 50.2 Ų | 50.2 | 14% | 0.14 | 26% | 0.257 | C | S | . | . | trans | -71.3 | 111.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | E83 V89 F102 | E83-A86 WeakPolarHBondContact OE2-CA 3.47Å; A86-V89 HydrophobicContact CB-CG2 3.49Å; A86-V89 VanDerWaalsContact CB-CG2 3.49Å; A86-F102 HydrophobicContact CB-CD2 4.09Å; A86-F102 HydrophobicContact CB-CE2 4.04Å | ||
| 87 | D | 75.1 | Confident | 81.6 | Confident | 111 Ų | 111 | 53.7 Ų | 53.7 | 59% | 0.594 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -91.7 | -22.3 | -178.7 | -74.2 | -23.7 | 0 | 0 | 0 | 112.8 | E83 R85 | E83-D87 PolarHBondContact OE2-N 3.07Å; R85-D87 PolarHBondContact O-N 3.4Å |
| 88 | F | 79 | Confident | 80.8 | Confident | 21 Ų | 21 | 56 Ų | 56 | 9% | 0.092 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -119.9 | 61.4 | -175.1 | -57.2 | -84.8 | 0 | 0 | 0 | 111.8 | L190 R191 K257 L260 | F88-L190 HydrophobicContact CD1-CB 3.51Å; F88-L190 HydrophobicContact CD1-CD1 4.39Å; F88-L190 HydrophobicContact CD2-CB 4.42Å; F88-L190 HydrophobicContact CD2-CD1 3.92Å; F88-L190 HydrophobicContact CE1-CB 3.66Å; F88-L190 HydrophobicContact CE1-CD1 4.16Å; F88-L190 HydrophobicContact CE2-CD1 3.69Å; F88-L190 HydrophobicContact CG-CB 3.92Å; F88-L190 HydrophobicContact CG-CD1 4.26Å; F88-L190 HydrophobicContact CZ-CB 4.19Å; F88-L190 HydrophobicContact CZ-CD1 3.8Å; F88-R191 HydrophobicContact CD1-CG 4.13Å; F88-R191 HydrophobicContact CE1-CG 4Å; F88-K257 HydrophobicContact CD2-CG 4.45Å; F88-L260 HydrophobicContact CE2-CD2 3.49Å; F88-L260 VanDerWaalsContact CE2-CD2 3.49Å; F88-L260 HydrophobicContact CZ-CD2 3.72Å |
| 89 | V | 77.3 | Confident | 80.3 | Confident | 59 Ų | 59 | 57.4 Ų | 57.4 | 36% | 0.358 | 29% | 0.294 | S | S | . | . | trans | -82.4 | 140.7 | -177.1 | 173 | 0 | 0 | 0 | 0 | 111.6 | A86 L93 | A86-V89 HydrophobicContact CB-CG2 3.49Å; A86-V89 VanDerWaalsContact CB-CG2 3.49Å; V89-L93 HydrophobicContact CG1-CB 4.02Å; V89-L93 WeakPolarHBondContact CG1-O 3.36Å | ||
| 90 | W | 78.2 | Confident | 79.9 | Confident | 14 Ų | 14 | 61.7 Ų | 61.7 | 5% | 0.053 | 32% | 0.322 | C | S | . | . | trans | -125.3 | 170.6 | 166.5 | 73.6 | -90.8 | 0 | 0 | 0 | 109.1 | K92 L93 A194 A197 D198 Y201 L246 | W90-K92 HydrophobicContact CE3-CB 4.41Å; W90-K92 HydrophobicContact CH2-CB 3.59Å; W90-K92 HydrophobicContact CH2-CD 3.87Å; W90-K92 HydrophobicContact CH2-CG 3.85Å; W90-K92 HydrophobicContact CZ2-CB 3.9Å; W90-K92 HydrophobicContact CZ3-CB 3.87Å; W90-K92 HydrophobicContact CZ3-CD 4.49Å; W90-K92 HydrophobicContact CZ3-CG 4.05Å; W90-K92 PolarHBondContact O-N 2.81Å; W90-L93 HydrophobicContact CG-CD1 4.36Å; W90-L93 HydrophobicContact CG-CG 4.46Å; W90-L93 PolarHBondContact O-N 2.93Å; W90-A194 HydrophobicContact CB-CB 4.45Å; W90-A197 HydrophobicContact CD2-CB 4.17Å; W90-A197 HydrophobicContact CG-CB 4.17Å; W90-D198 WeakPolarHBondContact CB-OD1 3.06Å; W90-Y201 HydrophobicContact CH2-CD2 4.06Å; W90-Y201 AromaticContact CZ3-CD2 3.72Å; W90-Y201 HydrophobicContact CZ3-CD2 3.72Å; W90-Y201 HydrophobicContact CZ3-CE2 4.35Å; W90-Y201 AromaticContact CZ3-CG 3.81Å; W90-Y201 HydrophobicContact CZ3-CG 3.81Å; W90-L246 HydrophobicContact CE3-CD1 4.39Å; W90-L246 HydrophobicContact CH2-CB 3.93Å; W90-L246 HydrophobicContact CH2-CD1 3.23Å; W90-L246 HydrophobicContact CH2-CG 4.2Å; W90-L246 HydrophobicContact CZ2-CB 3.66Å; W90-L246 HydrophobicContact CZ2-CD1 3.74Å; W90-L246 HydrophobicContact CZ2-CG 4.29Å; W90-L246 HydrophobicContact CZ3-CD1 3.61Å | ||
| 91 | H | 68.3 | Low | 79.5 | Confident | 142 Ų | 142 | 65.5 Ų | 65.5 | 66% | 0.657 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.8 | -33 | -164.1 | -168.6 | -73.9 | 0 | 0 | 0 | 117.9 | D198 Y201 | H91-D198 WeakPolarHBondContact CB-OD1 3.44Å; H91-D198 PolarHBondContact N-OD1 2.89Å; H91-Y201 AromaticContact ND1-CE1 3.94Å |
| 92 | K | 66.9 | Low | 79.1 | Confident | 93 Ų | 93 | 64.8 Ų | 64.8 | 40% | 0.404 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -17.1 | 177.8 | -87.7 | -167.1 | 161.2 | -175.4 | 0 | 115.2 | W90 Y201 D243 | W90-K92 HydrophobicContact CE3-CB 4.41Å; W90-K92 HydrophobicContact CH2-CB 3.59Å; W90-K92 HydrophobicContact CH2-CD 3.87Å; W90-K92 HydrophobicContact CH2-CG 3.85Å; W90-K92 HydrophobicContact CZ2-CB 3.9Å; W90-K92 HydrophobicContact CZ3-CB 3.87Å; W90-K92 HydrophobicContact CZ3-CD 4.49Å; W90-K92 HydrophobicContact CZ3-CG 4.05Å; W90-K92 PolarHBondContact O-N 2.81Å; K92-Y201 HydrophobicContact CD-CE2 4.02Å; K92-Y201 HydrophobicContact CG-CE2 4.2Å; K92-D243 WeakPolarHBondContact CE-OD1 3.3Å; K92-D243 IonicContact NZ-OD1 3.96Å; K92-D243 PolarHBondContact NZ-OD1 3.01Å; K92-D243 IonicContact NZ-OD2 3.39Å; K92-D243 PolarHBondContact NZ-OD2 2.94Å; K92-D243 VanDerWaalsContact NZ-OD2 3.1Å |
| 93 | L | 71.9 | Confident | 79 | Confident | 21 Ų | 21 | 64.7 Ų | 64.7 | 11% | 0.11 | 34% | 0.336 | C | S | . | . | trans | -84.8 | 133 | -177.3 | -62.6 | -179.9 | 0 | 0 | 0 | 110 | V89 W90 R105 | V89-L93 HydrophobicContact CG1-CB 4.02Å; V89-L93 WeakPolarHBondContact CG1-O 3.36Å; W90-L93 HydrophobicContact CG-CD1 4.36Å; W90-L93 HydrophobicContact CG-CG 4.46Å; W90-L93 PolarHBondContact O-N 2.93Å; L93-R105 VanDerWaalsContact CD2-NH1 3.31Å | ||
| 94 | S | 71.5 | Confident | 79.2 | Confident | 40 Ų | 40 | 67.6 Ų | 67.6 | 28% | 0.28 | 35% | 0.35 | S | S | . | . | trans | -84.1 | 146.5 | 172.3 | -172.3 | 0 | 0 | 0 | 0 | 111 | D96 D99 | S94-D96 VanDerWaalsContact C-N 3.28Å; S94-D96 WeakPolarHBondContact OG-CB 3.36Å; S94-D96 PolarHBondContact OG-N 2.91Å; S94-D99 VanDerWaalsContact CB-CG 3.43Å; S94-D99 WeakPolarHBondContact CB-OD2 3.21Å | ||
| 95 | A | 73.2 | Confident | 79.7 | Confident | 71 Ų | 71 | 63.5 Ų | 63.5 | 59% | 0.587 | 33% | 0.331 | S | S | * | . | trans | -84 | -6.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 96 | D | 78.8 | Confident | 80.5 | Confident | 84 Ų | 84 | 55.7 Ų | 55.7 | 45% | 0.449 | 30% | 0.302 | S | S | . | . | trans | -68.5 | 130.6 | 176.1 | -171.9 | -0.6 | 0 | 0 | 0 | 110.1 | S94 M98 D99 | S94-D96 VanDerWaalsContact C-N 3.28Å; S94-D96 WeakPolarHBondContact OG-CB 3.36Å; S94-D96 PolarHBondContact OG-N 2.91Å; D96-M98 PolarHBondContact O-N 3.3Å; D96-M98 PolarHBondContact OD1-N 3.45Å; D96-D99 HydrophobicContact CB-CB 4.36Å; D96-D99 VanDerWaalsContact O-CB 3.24Å; D96-D99 WeakPolarHBondContact O-CB 3.38Å; D96-D99 PolarHBondContact O-N 3.31Å | ||
| 97 | N | 75.9 | Confident | 81.5 | Confident | 74 Ų | 74 | 56.4 Ų | 56.4 | 40% | 0.396 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -6.1 | -179.1 | 65.3 | -7.6 | 0 | 0 | 0 | 113.6 | F102 | N97-F102 HydrophobicContact CB-CD1 4.27Å; N97-F102 HydrophobicContact CB-CE1 3.78Å; N97-F102 WeakPolarHBondContact O-CD1 3.25Å |
| 98 | M | 81.1 | Confident | 82.4 | Confident | 54 Ų | 54 | 53.3 Ų | 53.3 | 27% | 0.266 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 2 | 173.8 | -56.6 | -56.9 | -108.6 | 0 | 0 | 112.9 | K18 T30 T32 D96 | K18-M98 HydrophobicContact CD-CE 3.84Å; K18-M98 HydrophobicContact CG-CE 3.83Å; T30-M98 HydrophobicContact CG2-CE 3.98Å; T32-M98 PolarHBondContact OG1-SD 3.45Å; D96-M98 PolarHBondContact O-N 3.3Å; D96-M98 PolarHBondContact OD1-N 3.45Å |
| 99 | D | 86.6 | Confident | 83.2 | Confident | 31 Ų | 31 | 53.1 Ų | 53.1 | 17% | 0.166 | 29% | 0.288 | C | S | . | . | trans | -59.7 | 131.7 | 172.7 | 177.4 | -105.7 | 0 | 0 | 0 | 110.5 | S94 D96 D101 F102 V103 | S94-D99 VanDerWaalsContact CB-CG 3.43Å; S94-D99 WeakPolarHBondContact CB-OD2 3.21Å; D96-D99 HydrophobicContact CB-CB 4.36Å; D96-D99 VanDerWaalsContact O-CB 3.24Å; D96-D99 WeakPolarHBondContact O-CB 3.38Å; D96-D99 PolarHBondContact O-N 3.31Å; D99-D101 VanDerWaalsContact C-N 3.32Å; D99-D101 PolarHBondContact O-N 3.23Å; D99-D101 WeakPolarHBondContact OD1-CB 3.31Å; D99-D101 PolarHBondContact OD1-N 3.41Å; D99-F102 HydrophobicContact CB-CB 3.97Å; D99-F102 PolarHBondContact O-N 2.99Å; D99-F102 PolarHBondContact OD1-N 3.33Å; D99-F102 VanDerWaalsContact OD1-N 3.14Å; D99-V103 WeakPolarHBondContact O-CG2 3.34Å; D99-V103 PolarHBondContact O-N 3.4Å | ||
| 100 | P | 88.6 | Confident | 84.2 | Confident | 95 Ų | 95 | 50.3 Ų | 50.3 | 62% | 0.617 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -55.2 | -43.7 | -176.7 | -27.5 | 35.4 | 0 | 0 | 0 | 113.5 | F102 V103 E104 | P100-F102 VanDerWaalsContact C-N 3.33Å; P100-F102 PolarHBondContact O-N 3.03Å; P100-V103 PolarHBondContact O-N 3.46Å; P100-E104 WeakPolarHBondContact O-CB 3.44Å; P100-E104 PolarHBondContact O-N 3.07Å |
| 101 | D | 86.9 | Confident | 85.1 | Confident | 88 Ų | 88 | 51.5 Ų | 51.5 | 47% | 0.471 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.8 | -38.5 | -178.3 | -56.3 | -17.2 | 0 | 0 | 0 | 110.7 | D99 E104 R105 | D99-D101 VanDerWaalsContact C-N 3.32Å; D99-D101 PolarHBondContact O-N 3.23Å; D99-D101 WeakPolarHBondContact OD1-CB 3.31Å; D99-D101 PolarHBondContact OD1-N 3.41Å; D101-E104 PolarHBondContact O-N 3.24Å; D101-R105 WeakPolarHBondContact O-CB 3.31Å; D101-R105 WeakPolarHBondContact O-CG 3.47Å; D101-R105 PolarHBondContact O-N 3.04Å |
| 102 | F | 88.5 | Confident | 86.4 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66 | -41.6 | 174.4 | -179.4 | -97.6 | 0 | 0 | 0 | 112.6 | E83 A86 N97 D99 P100 E104 R106 | E83-F102 HydrophobicContact CG-CE2 3.94Å; E83-F102 HydrophobicContact CG-CZ 4.48Å; A86-F102 HydrophobicContact CB-CD2 4.09Å; A86-F102 HydrophobicContact CB-CE2 4.04Å; N97-F102 HydrophobicContact CB-CD1 4.27Å; N97-F102 HydrophobicContact CB-CE1 3.78Å; N97-F102 WeakPolarHBondContact O-CD1 3.25Å; D99-F102 HydrophobicContact CB-CB 3.97Å; D99-F102 PolarHBondContact O-N 2.99Å; D99-F102 PolarHBondContact OD1-N 3.33Å; D99-F102 VanDerWaalsContact OD1-N 3.14Å; P100-F102 VanDerWaalsContact C-N 3.33Å; P100-F102 PolarHBondContact O-N 3.03Å; F102-E104 VanDerWaalsContact C-N 3.31Å; F102-E104 PolarHBondContact O-N 3.47Å; F102-R106 WeakPolarHBondContact O-CB 3.44Å; F102-R106 PolarHBondContact O-N 3.34Å |
| 103 | V | 91.6 | Very high | 87.9 | Confident | 18 Ų | 18 | 43.4 Ų | 43.4 | 11% | 0.109 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 176 | 166.2 | 0 | 0 | 0 | 0 | 110.7 | A16 T32 Y34 D99 P100 R106 R107 | A16-V103 HydrophobicContact CB-CG1 3.38Å; T32-V103 HydrophobicContact CG2-CG1 3.8Å; T32-V103 HydrophobicContact CG2-CG2 4.3Å; Y34-V103 HydrophobicContact CE1-CG1 4.34Å; D99-V103 WeakPolarHBondContact O-CG2 3.34Å; D99-V103 PolarHBondContact O-N 3.4Å; P100-V103 PolarHBondContact O-N 3.46Å; V103-R106 PolarHBondContact O-N 2.76Å; V103-R107 PolarHBondContact O-N 3.29Å |
| 104 | E | 91.8 | Very high | 89.1 | Confident | 81 Ų | 81 | 42.4 Ų | 42.4 | 38% | 0.379 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.5 | -47 | 178.9 | -179.6 | 54.9 | -160.3 | 0 | 0 | 112.3 | P100 D101 F102 R106 R107 I108 | P100-E104 WeakPolarHBondContact O-CB 3.44Å; P100-E104 PolarHBondContact O-N 3.07Å; D101-E104 PolarHBondContact O-N 3.24Å; F102-E104 VanDerWaalsContact C-N 3.31Å; F102-E104 PolarHBondContact O-N 3.47Å; E104-R106 PolarHBondContact O-N 3.35Å; E104-R107 VanDerWaalsContact CD-NE 3.27Å; E104-R107 WeakPolarHBondContact O-CA 3.49Å; E104-R107 VanDerWaalsContact O-CB 3.29Å; E104-R107 WeakPolarHBondContact O-CB 3.44Å; E104-R107 PolarHBondContact O-N 2.94Å; E104-R107 IonicContact OE1-CZ 3.72Å; E104-R107 VanDerWaalsContact OE1-CZ 3.24Å; E104-R107 IonicContact OE1-NE 3.14Å; E104-R107 PolarHBondContact OE1-NE 3.25Å; E104-R107 IonicContact OE1-NH2 3.25Å; E104-R107 PolarHBondContact OE1-NH2 3.37Å; E104-R107 WeakPolarHBondContact OE2-CD 3.4Å; E104-R107 IonicContact OE2-CZ 2.65Å; E104-R107 IonicContact OE2-NE 3.7Å; E104-R107 PolarHBondContact OE2-NE 2.94Å; E104-I108 HydrophobicContact CG-CD1 4.38Å; E104-I108 WeakPolarHBondContact O-CG1 3.42Å; E104-I108 PolarHBondContact O-N 3.3Å |
| 105 | R | 90.6 | Very high | 90.3 | Very high | 34 Ų | 34 | 43.6 Ų | 43.6 | 13% | 0.128 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57 | -40.2 | 173.5 | -75.5 | -171.9 | -66.5 | -83.6 | -5.6 | 112.1 | L93 D101 G109 D254 | L93-R105 VanDerWaalsContact CD2-NH1 3.31Å; D101-R105 WeakPolarHBondContact O-CB 3.31Å; D101-R105 WeakPolarHBondContact O-CG 3.47Å; D101-R105 PolarHBondContact O-N 3.04Å; R105-G109 PolarHBondContact O-N 3.33Å; R105-D254 WeakPolarHBondContact CD-OD2 3.26Å; R105-D254 VanDerWaalsContact CG-OD2 3.31Å; R105-D254 WeakPolarHBondContact CG-OD2 3.48Å |
| 106 | R | 93.8 | Very high | 91.3 | Very high | 17 Ų | 17 | 42.4 Ų | 42.4 | 6% | 0.064 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.7 | -41.6 | 174.7 | 177.4 | 179.6 | -79.7 | 163 | 1.6 | 111.8 | Y34 Y59 P82 E83 K84 F102 V103 E104 I108 G109 L110 | Y34-R106 HydrophobicContact CE1-CG 4.42Å; Y34-R106 WeakPolarHBondContact OH-CD 3.32Å; Y59-R106 HydrophobicContact CD2-CG 4.19Å; Y59-R106 HydrophobicContact CE2-CG 4.47Å; P82-R106 HydrophobicContact CG-CG 4.06Å; E83-R106 PolarHBondContact O-NE 3.09Å; E83-R106 PolarHBondContact O-NH2 3.01Å; K84-R106 VanDerWaalsContact CA-NH2 3.31Å; K84-R106 PolarHBondContact O-NH2 3.34Å; F102-R106 WeakPolarHBondContact O-CB 3.44Å; F102-R106 PolarHBondContact O-N 3.34Å; V103-R106 PolarHBondContact O-N 2.76Å; E104-R106 PolarHBondContact O-N 3.35Å; R106-I108 VanDerWaalsContact C-N 3.34Å; R106-I108 PolarHBondContact O-N 3.07Å; R106-G109 PolarHBondContact O-N 3.32Å; R106-L110 HydrophobicContact CG-CD1 3.99Å; R106-L110 HydrophobicContact CG-CG 4.16Å; R106-L110 WeakPolarHBondContact O-CB 3.5Å; R106-L110 VanDerWaalsContact O-CG 3.24Å; R106-L110 WeakPolarHBondContact O-CG 3.28Å; R106-L110 PolarHBondContact O-N 2.97Å |
| 107 | R | 96 | Very high | 92.2 | Very high | 32 Ų | 32 | 38.4 Ų | 38.4 | 12% | 0.121 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.5 | -50.3 | 175.9 | -175.1 | -155.1 | 66.1 | 68.5 | -5.8 | 110.5 | V13 Y34 V103 E104 G109 L110 E111 | V13-R107 HydrophobicContact CB-CG 4.21Å; V13-R107 HydrophobicContact CG1-CG 3.7Å; V13-R107 WeakPolarHBondContact O-CD 3.35Å; V13-R107 WeakPolarHBondContact O-CG 3.07Å; V13-R107 PolarHBondContact O-NH1 3.11Å; Y34-R107 HydrophobicContact CD1-CB 3.97Å; Y34-R107 HydrophobicContact CD1-CG 4.13Å; Y34-R107 HydrophobicContact CE1-CB 4.05Å; V103-R107 PolarHBondContact O-N 3.29Å; E104-R107 VanDerWaalsContact CD-NE 3.27Å; E104-R107 WeakPolarHBondContact O-CA 3.49Å; E104-R107 VanDerWaalsContact O-CB 3.29Å; E104-R107 WeakPolarHBondContact O-CB 3.44Å; E104-R107 PolarHBondContact O-N 2.94Å; E104-R107 IonicContact OE1-CZ 3.72Å; E104-R107 VanDerWaalsContact OE1-CZ 3.24Å; E104-R107 IonicContact OE1-NE 3.14Å; E104-R107 PolarHBondContact OE1-NE 3.25Å; E104-R107 IonicContact OE1-NH2 3.25Å; E104-R107 PolarHBondContact OE1-NH2 3.37Å; E104-R107 WeakPolarHBondContact OE2-CD 3.4Å; E104-R107 IonicContact OE2-CZ 2.65Å; E104-R107 IonicContact OE2-NE 3.7Å; E104-R107 PolarHBondContact OE2-NE 2.94Å; R107-G109 PolarHBondContact O-N 3.28Å; R107-L110 PolarHBondContact O-N 3.45Å; R107-E111 IonicContact NH1-OE2 3.6Å; R107-E111 PolarHBondContact NH1-OE2 3.3Å; R107-E111 PolarHBondContact O-N 3.4Å |
| 108 | I | 94.6 | Very high | 93.1 | Very high | 47 Ų | 47 | 34.9 Ų | 34.9 | 24% | 0.241 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.3 | -46.7 | 175.5 | -62.9 | 165.8 | 0 | 0 | 0 | 110.9 | E104 R106 L110 E111 N112 | E104-I108 HydrophobicContact CG-CD1 4.38Å; E104-I108 WeakPolarHBondContact O-CG1 3.42Å; E104-I108 PolarHBondContact O-N 3.3Å; R106-I108 VanDerWaalsContact C-N 3.34Å; R106-I108 PolarHBondContact O-N 3.07Å; I108-L110 VanDerWaalsContact C-N 3.31Å; I108-L110 PolarHBondContact O-N 3.36Å; I108-E111 WeakPolarHBondContact O-CB 3.48Å; I108-E111 PolarHBondContact O-N 3.02Å; I108-N112 PolarHBondContact O-N 3.49Å; I108-N112 PolarHBondContact O-ND2 3.21Å |
| 109 | G | 95.8 | Very high | 93.7 | Very high | 17 Ų | 17 | 34.7 Ų | 34.7 | 18% | 0.175 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.8 | -33.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | R105 R106 R107 F113 | R105-G109 PolarHBondContact O-N 3.33Å; R106-G109 PolarHBondContact O-N 3.32Å; R107-G109 PolarHBondContact O-N 3.28Å; G109-F113 PolarHBondContact O-N 3.36Å |
| 110 | L | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.9 | -39.4 | 175 | -69.6 | 174.1 | 0 | 0 | 0 | 111.4 | Y34 Y59 F62 L81 P82 R106 R107 I108 F113 L114 | Y34-L110 HydrophobicContact CD1-CD1 4.01Å; Y34-L110 HydrophobicContact CD2-CD1 3.47Å; Y34-L110 VanDerWaalsContact CD2-CD1 3.47Å; Y34-L110 HydrophobicContact CE1-CD1 4.13Å; Y34-L110 HydrophobicContact CE2-CD1 3.62Å; Y34-L110 HydrophobicContact CG-CD1 3.7Å; Y59-L110 HydrophobicContact CD2-CD1 4.42Å; Y59-L110 HydrophobicContact CD2-CD2 4.07Å; Y59-L110 HydrophobicContact CE2-CD2 4.24Å; F62-L110 HydrophobicContact CB-CD2 4.02Å; F62-L110 HydrophobicContact CD1-CB 4.48Å; F62-L110 HydrophobicContact CD1-CD2 3.71Å; F62-L110 HydrophobicContact CD2-CD1 4.23Å; F62-L110 HydrophobicContact CD2-CD2 4.04Å; F62-L110 HydrophobicContact CE1-CB 4Å; F62-L110 HydrophobicContact CE1-CD2 4.06Å; F62-L110 HydrophobicContact CE1-CG 4.42Å; F62-L110 HydrophobicContact CE2-CD1 3.95Å; F62-L110 HydrophobicContact CE2-CD2 4.39Å; F62-L110 HydrophobicContact CG-CD2 3.68Å; F62-L110 HydrophobicContact CZ-CB 4.17Å; F62-L110 HydrophobicContact CZ-CD1 4.12Å; F62-L110 HydrophobicContact CZ-CD2 4.39Å; F62-L110 HydrophobicContact CZ-CG 4.46Å; L81-L110 HydrophobicContact CD2-CD2 4Å; P82-L110 HydrophobicContact CG-CD2 3.96Å; P82-L110 HydrophobicContact CG-CG 3.99Å; R106-L110 HydrophobicContact CG-CD1 3.99Å; R106-L110 HydrophobicContact CG-CG 4.16Å; R106-L110 WeakPolarHBondContact O-CB 3.5Å; R106-L110 VanDerWaalsContact O-CG 3.24Å; R106-L110 WeakPolarHBondContact O-CG 3.28Å; R106-L110 PolarHBondContact O-N 2.97Å; R107-L110 PolarHBondContact O-N 3.45Å; I108-L110 VanDerWaalsContact C-N 3.31Å; I108-L110 PolarHBondContact O-N 3.36Å; L110-F113 WeakPolarHBondContact O-CB 3.48Å; L110-F113 PolarHBondContact O-N 3.48Å; L110-L114 WeakPolarHBondContact O-CG 3.35Å; L110-L114 PolarHBondContact O-N 2.99Å |
| 111 | E | 97.1 | Very high | 94.3 | Very high | 39 Ų | 39 | 31.9 Ų | 31.9 | 18% | 0.182 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.9 | -51 | 171.7 | -171.8 | 175.2 | 97.8 | 0 | 0 | 110.8 | T12 V13 R107 I108 F113 L114 L115 | T12-E111 WeakPolarHBondContact CA-OE2 3.45Å; V13-E111 HydrophobicContact CB-CB 3.96Å; V13-E111 HydrophobicContact CB-CG 4.48Å; V13-E111 HydrophobicContact CG2-CB 3.75Å; V13-E111 HydrophobicContact CG2-CG 4.24Å; V13-E111 PolarHBondContact N-OE2 3.4Å; R107-E111 IonicContact NH1-OE2 3.6Å; R107-E111 PolarHBondContact NH1-OE2 3.3Å; R107-E111 PolarHBondContact O-N 3.4Å; I108-E111 WeakPolarHBondContact O-CB 3.48Å; I108-E111 PolarHBondContact O-N 3.02Å; E111-F113 VanDerWaalsContact C-N 3.3Å; E111-F113 PolarHBondContact O-N 2.98Å; E111-L114 PolarHBondContact O-N 2.87Å; E111-L115 HydrophobicContact CG-CD1 4.03Å; E111-L115 HydrophobicContact CG-CG 4.41Å; E111-L115 WeakPolarHBondContact O-CG 3.29Å; E111-L115 PolarHBondContact O-N 3.38Å |
| 112 | N | 95.8 | Very high | 94.6 | Very high | 62 Ų | 62 | 33.5 Ų | 33.5 | 33% | 0.332 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -56 | -44.5 | 175.4 | -75.1 | -26.2 | 0 | 0 | 0 | 111.4 | I108 L114 L115 R116 | I108-N112 PolarHBondContact O-N 3.49Å; I108-N112 PolarHBondContact O-ND2 3.21Å; N112-L114 PolarHBondContact O-N 3.44Å; N112-L115 PolarHBondContact O-N 2.6Å; N112-R116 WeakPolarHBondContact O-CB 3.2Å; N112-R116 WeakPolarHBondContact O-CG 3.28Å; N112-R116 PolarHBondContact O-N 2.74Å |
| 113 | F | 97.7 | Very high | 94.9 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 1% | 0.013 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55.5 | -48.6 | 174.7 | 165.7 | -97.9 | 0 | 0 | 0 | 112.2 | F62 L65 R66 P79 P80 L81 G109 L110 E111 R116 V117 | F62-F113 AromaticContact CD1-CD1 3.99Å; F62-F113 HydrophobicContact CD1-CD1 3.99Å; F62-F113 HydrophobicContact CD1-CE1 4.17Å; L65-F113 HydrophobicContact CD2-CE1 3.97Å; L65-F113 HydrophobicContact CD2-CZ 4.36Å; R66-F113 HydrophobicContact CB-CE2 4.19Å; R66-F113 HydrophobicContact CB-CZ 4.05Å; R66-F113 HydrophobicContact CG-CE2 4.29Å; P79-F113 HydrophobicContact CB-CD2 3.86Å; P79-F113 HydrophobicContact CB-CE2 4.22Å; P79-F113 WeakPolarHBondContact O-CE2 3.45Å; P80-F113 WeakPolarHBondContact O-CD2 3.41Å; L81-F113 HydrophobicContact CD2-CB 4.23Å; L81-F113 HydrophobicContact CD2-CD1 3.71Å; L81-F113 HydrophobicContact CD2-CD2 3.73Å; L81-F113 HydrophobicContact CD2-CE1 3.96Å; L81-F113 HydrophobicContact CD2-CE2 3.98Å; L81-F113 HydrophobicContact CD2-CG 3.6Å; L81-F113 HydrophobicContact CD2-CZ 4.09Å; L81-F113 HydrophobicContact CG-CD2 4.45Å; G109-F113 PolarHBondContact O-N 3.36Å; L110-F113 WeakPolarHBondContact O-CB 3.48Å; L110-F113 PolarHBondContact O-N 3.48Å; E111-F113 VanDerWaalsContact C-N 3.3Å; E111-F113 PolarHBondContact O-N 2.98Å; F113-R116 PolarHBondContact O-N 3.06Å; F113-V117 HydrophobicContact CD2-CG2 4.27Å; F113-V117 HydrophobicContact CE1-CG2 4.31Å; F113-V117 HydrophobicContact CE2-CG2 3.83Å; F113-V117 HydrophobicContact CZ-CG2 3.86Å; F113-V117 VanDerWaalsContact O-CG2 3.3Å; F113-V117 WeakPolarHBondContact O-CG2 3.29Å; F113-V117 PolarHBondContact O-N 2.8Å |
| 114 | L | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.2 | -43.3 | 179.1 | -63.6 | 177 | 0 | 0 | 0 | 111.8 | I11 V13 I36 F62 L65 L110 E111 N112 R116 V117 A118 F129 F132 L133 | I11-L114 HydrophobicContact CG2-CB 4.04Å; I11-L114 HydrophobicContact CG2-CD1 3.94Å; V13-L114 HydrophobicContact CG2-CD1 3.85Å; I36-L114 HydrophobicContact CD1-CD1 3.97Å; I36-L114 HydrophobicContact CG1-CD1 4.32Å; I36-L114 HydrophobicContact CG2-CD1 4.12Å; F62-L114 HydrophobicContact CD1-CD2 4.26Å; F62-L114 HydrophobicContact CE1-CD1 3.92Å; F62-L114 HydrophobicContact CE1-CD2 3.91Å; F62-L114 HydrophobicContact CE1-CG 3.94Å; L65-L114 HydrophobicContact CD2-CD2 4.47Å; L110-L114 WeakPolarHBondContact O-CG 3.35Å; L110-L114 PolarHBondContact O-N 2.99Å; E111-L114 PolarHBondContact O-N 2.87Å; N112-L114 PolarHBondContact O-N 3.44Å; L114-R116 VanDerWaalsContact C-N 3.34Å; L114-R116 PolarHBondContact O-N 3.49Å; L114-V117 PolarHBondContact O-N 3.22Å; L114-A118 VanDerWaalsContact O-CB 3.29Å; L114-A118 WeakPolarHBondContact O-CB 3.4Å; L114-A118 PolarHBondContact O-N 2.98Å; L114-F129 HydrophobicContact CD2-CE2 3.87Å; L114-F132 HydrophobicContact CD2-CD1 4.25Å; L114-F132 HydrophobicContact CD2-CE1 3.79Å; L114-L133 HydrophobicContact CD1-CD2 4.1Å; L114-L133 HydrophobicContact CD2-CD2 4.26Å |
| 115 | L | 95.9 | Very high | 95 | Very high | 65 Ų | 65 | 35.9 Ų | 35.9 | 34% | 0.34 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61.8 | -41.7 | 177 | -69.1 | 174.6 | 0 | 0 | 0 | 111.6 | I11 E111 N112 A118 S119 | I11-L115 HydrophobicContact CB-CD2 4.23Å; E111-L115 HydrophobicContact CG-CD1 4.03Å; E111-L115 HydrophobicContact CG-CG 4.41Å; E111-L115 WeakPolarHBondContact O-CG 3.29Å; E111-L115 PolarHBondContact O-N 3.38Å; N112-L115 PolarHBondContact O-N 2.6Å; L115-A118 PolarHBondContact O-N 2.97Å; L115-S119 VanDerWaalsContact O-CB 3.28Å; L115-S119 WeakPolarHBondContact O-CB 3.49Å; L115-S119 PolarHBondContact O-N 3.46Å; L115-S119 PolarHBondContact O-OG 3.13Å |
| 116 | R | 95.8 | Very high | 95.2 | Very high | 46 Ų | 46 | 34.5 Ų | 34.5 | 17% | 0.174 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.8 | -45.1 | 175.7 | -66.6 | -73.6 | -165.5 | -173 | 0.9 | 111.5 | P79 N112 F113 L114 S119 H120 E258 Q365 D369 | P79-R116 HydrophobicContact CB-CB 3.8Å; P79-R116 HydrophobicContact CG-CB 3.58Å; N112-R116 WeakPolarHBondContact O-CB 3.2Å; N112-R116 WeakPolarHBondContact O-CG 3.28Å; N112-R116 PolarHBondContact O-N 2.74Å; F113-R116 PolarHBondContact O-N 3.06Å; L114-R116 VanDerWaalsContact C-N 3.34Å; L114-R116 PolarHBondContact O-N 3.49Å; R116-S119 PolarHBondContact O-N 3.03Å; R116-S119 PolarHBondContact O-OG 2.91Å; R116-H120 PolarHBondContact O-N 3.3Å; R116-E258 IonicContact CZ-OE1 3.46Å; R116-E258 IonicContact CZ-OE2 3.99Å; R116-E258 IonicContact NE-OE1 3.78Å; R116-E258 PolarHBondContact NE-OE1 3.05Å; R116-E258 IonicContact NE-OE2 3.95Å; R116-E258 IonicContact NH2-OE1 3.41Å; R116-E258 PolarHBondContact NH2-OE1 3.1Å; R116-E258 IonicContact NH2-OE2 3.58Å; R116-E258 PolarHBondContact NH2-OE2 3.2Å; R116-Q365 VanDerWaalsContact NH1-CD 3.32Å; R116-D369 IonicContact CZ-OD2 2.88Å; R116-D369 IonicContact NH1-OD2 2.6Å; R116-D369 PolarHBondContact NH1-OD2 2.94Å; R116-D369 IonicContact NH2-OD2 3.12Å; R116-D369 PolarHBondContact NH2-OD2 3.27Å |
| 117 | V | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.4 | -44.9 | 175.7 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | L69 P79 F113 L114 S119 H120 L123 C124 F129 | L69-V117 HydrophobicContact CD1-CG1 4.07Å; L69-V117 HydrophobicContact CD1-CG2 4.16Å; P79-V117 HydrophobicContact CB-CG2 4.36Å; P79-V117 HydrophobicContact CG-CG2 4.01Å; F113-V117 HydrophobicContact CD2-CG2 4.27Å; F113-V117 HydrophobicContact CE1-CG2 4.31Å; F113-V117 HydrophobicContact CE2-CG2 3.83Å; F113-V117 HydrophobicContact CZ-CG2 3.86Å; F113-V117 VanDerWaalsContact O-CG2 3.3Å; F113-V117 WeakPolarHBondContact O-CG2 3.29Å; F113-V117 PolarHBondContact O-N 2.8Å; L114-V117 PolarHBondContact O-N 3.22Å; V117-S119 VanDerWaalsContact C-N 3.32Å; V117-S119 PolarHBondContact O-N 2.88Å; V117-H120 WeakPolarHBondContact O-CB 3.27Å; V117-H120 PolarHBondContact O-N 2.96Å; V117-L123 HydrophobicContact CG1-CB 3.86Å; V117-L123 HydrophobicContact CG1-CD1 4.45Å; V117-L123 HydrophobicContact CG2-CD1 4.47Å; V117-C124 PolarHBondContact O-N 3.29Å; V117-F129 HydrophobicContact CB-CD2 4.43Å; V117-F129 HydrophobicContact CB-CE2 3.92Å; V117-F129 HydrophobicContact CB-CZ 4Å; V117-F129 HydrophobicContact CG1-CD1 3.95Å; V117-F129 HydrophobicContact CG1-CD2 3.54Å; V117-F129 HydrophobicContact CG1-CE1 3.92Å; V117-F129 HydrophobicContact CG1-CE2 3.5Å; V117-F129 VanDerWaalsContact CG1-CE2 3.5Å; V117-F129 HydrophobicContact CG1-CG 3.77Å; V117-F129 HydrophobicContact CG1-CZ 3.68Å |
| 118 | A | 95.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.4 | -28.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | C4 S6 I11 L114 L115 H120 C124 F129 | C4-A118 PolarHBondContact SG-O 3.04Å; S6-A118 PolarHBondContact N-O 3.39Å; I11-A118 HydrophobicContact CD1-CB 3.66Å; L114-A118 VanDerWaalsContact O-CB 3.29Å; L114-A118 WeakPolarHBondContact O-CB 3.4Å; L114-A118 PolarHBondContact O-N 2.98Å; L115-A118 PolarHBondContact O-N 2.97Å; A118-H120 VanDerWaalsContact C-N 3.34Å; A118-C124 WeakPolarHBondContact O-CB 3.19Å; A118-F129 HydrophobicContact CB-CE1 3.96Å; A118-F129 HydrophobicContact CB-CZ 4.01Å |
| 119 | S | 93.2 | Very high | 95.4 | Very high | 49 Ų | 49 | 35.1 Ų | 35.1 | 34% | 0.343 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -78.9 | -17.5 | 176.5 | 75.4 | 0 | 0 | 0 | 0 | 113.6 | C4 L115 R116 V117 | C4-S119 VanDerWaalsContact SG-C 3.51Å; C4-S119 VanDerWaalsContact SG-CA 3.56Å; C4-S119 PolarHBondContact SG-O 3.3Å; C4-S119 VanDerWaalsContact SG-O 3.34Å; L115-S119 VanDerWaalsContact O-CB 3.28Å; L115-S119 WeakPolarHBondContact O-CB 3.49Å; L115-S119 PolarHBondContact O-N 3.46Å; L115-S119 PolarHBondContact O-OG 3.13Å; R116-S119 PolarHBondContact O-N 3.03Å; R116-S119 PolarHBondContact O-OG 2.91Å; V117-S119 VanDerWaalsContact C-N 3.32Å; V117-S119 PolarHBondContact O-N 2.88Å |
| 120 | H | 95.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 1% | 0.014 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -79.8 | 129.9 | -173.2 | -178.7 | -53.7 | 0 | 0 | 0 | 111.2 | I76 R116 V117 A118 F122 L123 C124 D358 R361 | I76-H120 WeakPolarHBondContact CD1-CE1 3.29Å; I76-H120 WeakPolarHBondContact CG2-NE2 3.37Å; R116-H120 PolarHBondContact O-N 3.3Å; V117-H120 WeakPolarHBondContact O-CB 3.27Å; V117-H120 PolarHBondContact O-N 2.96Å; A118-H120 VanDerWaalsContact C-N 3.34Å; H120-F122 VanDerWaalsContact C-N 3.32Å; H120-F122 AromaticContact CE1-CD2 3.93Å; H120-F122 PolarHBondContact ND1-N 3.02Å; H120-F122 PolarHBondContact O-N 2.94Å; H120-F122 VanDerWaalsContact O-N 3.1Å; H120-L123 HydrophobicContact CB-CB 4.06Å; H120-L123 HydrophobicContact CB-CD1 4.11Å; H120-L123 HydrophobicContact CB-CG 4.12Å; H120-L123 PolarHBondContact ND1-N 3.48Å; H120-L123 PolarHBondContact O-N 3.34Å; H120-C124 VanDerWaalsContact O-CB 3.32Å; H120-C124 WeakPolarHBondContact O-CB 3.23Å; H120-C124 PolarHBondContact O-N 3.39Å; H120-C124 VanDerWaalsContact O-N 3.11Å; H120-C124 PolarHBondContact O-SG 3.48Å; H120-D358 IonicContact CE1-OD1 3.62Å; H120-D358 IonicContact NE2-OD1 2.77Å; H120-D358 PolarHBondContact NE2-OD1 3.48Å; H120-R361 VanDerWaalsContact CD2-CZ 3.46Å; H120-R361 PolarHBondContact CD2-NH1 2.76Å; H120-R361 PolarHBondContact CD2-NH2 3.46Å; H120-R361 PolarHBondContact CE1-NH2 3.09Å; H120-R361 VanDerWaalsContact CG-NH1 3.35Å; H120-R361 PolarHBondContact ND1-NH2 2.98Å; H120-R361 PolarHBondContact NE2-NH2 2.67Å |
| 121 | P | 92.1 | Very high | 95.1 | Very high | 65 Ų | 65 | 39.5 Ų | 39.5 | 42% | 0.422 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -37.7 | -172.6 | -28.6 | 34.6 | 0 | 0 | 0 | 116.3 | C124 | P121-C124 PolarHBondContact O-SG 2.93Š|
| 122 | F | 93.1 | Very high | 95.1 | Very high | 121 Ų | 121 | 37.7 Ų | 37.7 | 53% | 0.531 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -51.5 | 176.8 | -61.3 | -74.4 | 0 | 0 | 0 | 113.9 | I76 H120 C124 R125 | I76-F122 HydrophobicContact CD1-CB 3.9Å; I76-F122 HydrophobicContact CD1-CD2 4.2Å; I76-F122 HydrophobicContact CD1-CG 4.37Å; H120-F122 VanDerWaalsContact C-N 3.32Å; H120-F122 AromaticContact CE1-CD2 3.93Å; H120-F122 PolarHBondContact ND1-N 3.02Å; H120-F122 PolarHBondContact O-N 2.94Å; H120-F122 VanDerWaalsContact O-N 3.1Å; F122-C124 PolarHBondContact O-N 3.42Å; F122-R125 PolarHBondContact O-N 3.46Å |
| 123 | L | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -62 | -30 | -174 | -51.7 | 178.1 | 0 | 0 | 0 | 113.3 | L69 Y73 I76 V117 H120 R125 D126 | L69-L123 HydrophobicContact CD2-CD2 4.26Å; Y73-L123 HydrophobicContact CD1-CD2 4.32Å; Y73-L123 HydrophobicContact CD2-CD2 3.46Å; Y73-L123 VanDerWaalsContact CD2-CD2 3.46Å; Y73-L123 HydrophobicContact CE2-CD2 3.96Å; Y73-L123 HydrophobicContact CG-CD2 3.67Å; I76-L123 HydrophobicContact CD1-CD2 4.09Å; I76-L123 HydrophobicContact CG2-CD1 4.11Å; I76-L123 HydrophobicContact CG2-CD2 4.28Å; I76-L123 HydrophobicContact CG2-CG 4.35Å; V117-L123 HydrophobicContact CG1-CB 3.86Å; V117-L123 HydrophobicContact CG1-CD1 4.45Å; V117-L123 HydrophobicContact CG2-CD1 4.47Å; H120-L123 HydrophobicContact CB-CB 4.06Å; H120-L123 HydrophobicContact CB-CD1 4.11Å; H120-L123 HydrophobicContact CB-CG 4.12Å; H120-L123 PolarHBondContact ND1-N 3.48Å; H120-L123 PolarHBondContact O-N 3.34Å; L123-R125 PolarHBondContact O-N 3.46Å; L123-D126 WeakPolarHBondContact O-CB 3.32Å; L123-D126 PolarHBondContact O-N 2.85Å; L123-D126 VanDerWaalsContact O-N 3.16Å |
| 124 | C | 93.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -63.1 | -21.8 | 176.9 | 71.3 | 0 | 0 | 0 | 0 | 113.2 | L5 V117 A118 H120 P121 F122 D126 | L5-C124 HydrophobicContact CB-CB 4.04Å; L5-C124 WeakPolarHBondContact CD1-O 3.42Å; L5-C124 HydrophobicContact CG-CB 4.32Å; L5-C124 WeakPolarHBondContact CG-O 3.48Å; V117-C124 PolarHBondContact O-N 3.29Å; A118-C124 WeakPolarHBondContact O-CB 3.19Å; H120-C124 VanDerWaalsContact O-CB 3.32Å; H120-C124 WeakPolarHBondContact O-CB 3.23Å; H120-C124 PolarHBondContact O-N 3.39Å; H120-C124 VanDerWaalsContact O-N 3.11Å; H120-C124 PolarHBondContact O-SG 3.48Å; P121-C124 PolarHBondContact O-SG 2.93Å; F122-C124 PolarHBondContact O-N 3.42Å; C124-D126 VanDerWaalsContact C-N 3.3Å |
| 125 | R | 92.1 | Very high | 94.5 | Very high | 152 Ų | 152 | 40.4 Ų | 40.4 | 57% | 0.574 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -93.6 | 5.6 | -179.5 | -59.2 | 178.4 | -172.5 | 172.7 | -0.2 | 112.8 | D3 F122 L123 | D3-R125 PolarHBondContact O-NE 3.32Å; D3-R125 PolarHBondContact O-NH2 3.49Å; D3-R125 VanDerWaalsContact O-NH2 3.16Å; F122-R125 PolarHBondContact O-N 3.46Å; L123-R125 PolarHBondContact O-N 3.46Å |
| 126 | D | 95.3 | Very high | 94.1 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | trans | -74.3 | 127.9 | -175.5 | -172.8 | -87.1 | 0 | 0 | 0 | 111.2 | Y68 L69 Y73 L123 C124 I128 F129 Y130 | Y68-D126 WeakPolarHBondContact CE1-OD1 3.48Å; Y68-D126 PolarHBondContact OH-OD2 3.45Å; L69-D126 HydrophobicContact CD2-CB 4.48Å; Y73-D126 HydrophobicContact CE2-CB 4.44Å; Y73-D126 VanDerWaalsContact CE2-OD2 3.29Å; Y73-D126 WeakPolarHBondContact CE2-OD2 3.43Å; Y73-D126 PolarHBondContact OH-OD2 3.03Å; L123-D126 WeakPolarHBondContact O-CB 3.32Å; L123-D126 PolarHBondContact O-N 2.85Å; L123-D126 VanDerWaalsContact O-N 3.16Å; C124-D126 VanDerWaalsContact C-N 3.3Å; D126-I128 VanDerWaalsContact C-N 3.33Å; D126-I128 PolarHBondContact O-N 3.04Å; D126-I128 WeakPolarHBondContact OD1-CA 3.15Å; D126-I128 VanDerWaalsContact OD1-CB 3.25Å; D126-I128 WeakPolarHBondContact OD1-CB 3.42Å; D126-I128 PolarHBondContact OD1-N 3.16Å; D126-F129 HydrophobicContact CB-CB 3.95Å; D126-F129 PolarHBondContact O-N 3.33Å; D126-F129 PolarHBondContact OD1-N 3.46Å; D126-Y130 PolarHBondContact O-N 3.24Å | ||
| 127 | N | 94.6 | Very high | 93.8 | Very high | 104 Ų | 104 | 45 Ų | 45 | 56% | 0.556 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -68.1 | -32.5 | -176.8 | -174.7 | 57.1 | 0 | 0 | 0 | 112.7 | S131 | N127-S131 WeakPolarHBondContact O-CB 3.28Å; N127-S131 PolarHBondContact O-N 3.11Å; N127-S131 PolarHBondContact O-OG 3.24Å |
| 128 | I | 96.3 | Very high | 93.5 | Very high | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.7 | -40.6 | 176.2 | -63.1 | -57.2 | 0 | 0 | 0 | 109.7 | L65 Y68 D126 S131 F132 W139 M142 V143 T146 | L65-I128 HydrophobicContact CD1-CG2 4.1Å; Y68-I128 HydrophobicContact CD1-CB 4.02Å; Y68-I128 HydrophobicContact CD1-CG1 4.34Å; Y68-I128 HydrophobicContact CD1-CG2 3.82Å; Y68-I128 HydrophobicContact CE1-CB 3.55Å; Y68-I128 HydrophobicContact CE1-CG1 3.69Å; Y68-I128 HydrophobicContact CE1-CG2 3.91Å; Y68-I128 HydrophobicContact CE2-CG1 4.01Å; Y68-I128 HydrophobicContact CG-CG2 4.34Å; Y68-I128 VanDerWaalsContact CZ-CG1 3.49Å; D126-I128 VanDerWaalsContact C-N 3.33Å; D126-I128 PolarHBondContact O-N 3.04Å; D126-I128 WeakPolarHBondContact OD1-CA 3.15Å; D126-I128 VanDerWaalsContact OD1-CB 3.25Å; D126-I128 WeakPolarHBondContact OD1-CB 3.42Å; D126-I128 PolarHBondContact OD1-N 3.16Å; I128-S131 PolarHBondContact O-N 3.45Å; I128-F132 VanDerWaalsContact O-CB 3.32Å; I128-F132 WeakPolarHBondContact O-CB 3.43Å; I128-F132 PolarHBondContact O-N 3.31Å; I128-W139 HydrophobicContact CG2-CE3 4.43Å; I128-M142 HydrophobicContact CD1-CB 3.67Å; I128-V143 HydrophobicContact CD1-CG2 4.19Å; I128-V143 HydrophobicContact CG1-CG2 4.44Å; I128-V143 HydrophobicContact CG2-CG2 3.42Å; I128-V143 VanDerWaalsContact CG2-CG2 3.42Å; I128-T146 HydrophobicContact CD1-CG2 4.31Å; I128-T146 HydrophobicContact CG1-CG2 4.35Å |
| 129 | F | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.6 | -47.4 | 173.5 | 178.9 | -118.9 | 0 | 0 | 0 | 111.8 | L5 I11 L65 L114 V117 A118 D126 S131 F132 L133 | L5-F129 HydrophobicContact CD1-CD1 4.15Å; L5-F129 HydrophobicContact CD1-CE1 4.18Å; I11-F129 HydrophobicContact CD1-CZ 4.29Å; L65-F129 HydrophobicContact CD2-CD2 3.99Å; L65-F129 HydrophobicContact CD2-CE2 4.5Å; L114-F129 HydrophobicContact CD2-CE2 3.87Å; V117-F129 HydrophobicContact CB-CD2 4.43Å; V117-F129 HydrophobicContact CB-CE2 3.92Å; V117-F129 HydrophobicContact CB-CZ 4Å; V117-F129 HydrophobicContact CG1-CD1 3.95Å; V117-F129 HydrophobicContact CG1-CD2 3.54Å; V117-F129 HydrophobicContact CG1-CE1 3.92Å; V117-F129 HydrophobicContact CG1-CE2 3.5Å; V117-F129 VanDerWaalsContact CG1-CE2 3.5Å; V117-F129 HydrophobicContact CG1-CG 3.77Å; V117-F129 HydrophobicContact CG1-CZ 3.68Å; A118-F129 HydrophobicContact CB-CE1 3.96Å; A118-F129 HydrophobicContact CB-CZ 4.01Å; D126-F129 HydrophobicContact CB-CB 3.95Å; D126-F129 PolarHBondContact O-N 3.33Å; D126-F129 PolarHBondContact OD1-N 3.46Å; F129-S131 PolarHBondContact O-N 3.23Å; F129-F132 WeakPolarHBondContact O-CB 3.27Å; F129-F132 PolarHBondContact O-N 3.21Å; F129-L133 HydrophobicContact CD1-CD1 4.38Å; F129-L133 HydrophobicContact CE1-CD1 3.83Å; F129-L133 HydrophobicContact CE2-CD1 4.1Å; F129-L133 HydrophobicContact CE2-CG 4.33Å; F129-L133 HydrophobicContact CZ-CD1 3.68Å; F129-L133 HydrophobicContact CZ-CG 4.39Å; F129-L133 WeakPolarHBondContact O-CG 3.42Å; F129-L133 PolarHBondContact O-N 2.77Å |
| 130 | Y | 93.7 | Very high | 93.5 | Very high | 107 Ų | 107 | 48.2 Ų | 48.2 | 42% | 0.42 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.3 | -48.7 | 175.1 | -179.5 | -98.3 | 0 | 0 | 0 | 111.8 | I9 D126 F132 L133 T134 | I9-Y130 HydrophobicContact CD1-CE2 4.26Å; D126-Y130 PolarHBondContact O-N 3.24Å; Y130-F132 VanDerWaalsContact C-N 3.3Å; Y130-F132 PolarHBondContact O-N 2.98Å; Y130-L133 WeakPolarHBondContact O-CB 3.32Å; Y130-L133 PolarHBondContact O-N 3.46Å; Y130-T134 HydrophobicContact CD2-CG2 4.31Å; Y130-T134 HydrophobicContact CE1-CG2 4.13Å; Y130-T134 HydrophobicContact CE2-CG2 3.9Å; Y130-T134 PolarHBondContact O-N 2.94Å; Y130-T134 VanDerWaalsContact O-N 3.07Å; Y130-T134 PolarHBondContact O-OG1 2.92Å |
| 131 | S | 94.4 | Very high | 93.5 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.014 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64 | -34.2 | 179.7 | -56.5 | 0 | 0 | 0 | 0 | 113 | N127 I128 F129 L133 T134 Q135 M142 | N127-S131 WeakPolarHBondContact O-CB 3.28Å; N127-S131 PolarHBondContact O-N 3.11Å; N127-S131 PolarHBondContact O-OG 3.24Å; I128-S131 PolarHBondContact O-N 3.45Å; F129-S131 PolarHBondContact O-N 3.23Å; S131-L133 PolarHBondContact O-N 3.09Å; S131-T134 PolarHBondContact O-N 2.97Å; S131-Q135 WeakPolarHBondContact O-CB 3.5Å; S131-Q135 PolarHBondContact O-N 3.06Å; S131-M142 VanDerWaalsContact OG-CE 3.22Å; S131-M142 WeakPolarHBondContact OG-CE 3.49Å |
| 132 | F | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.4 | -35.4 | 173.8 | 175.2 | -90.5 | 0 | 0 | 0 | 111.9 | I36 R57 E61 F62 L65 L114 I128 F129 Y130 W139 | I36-F132 HydrophobicContact CD1-CD1 4.38Å; I36-F132 HydrophobicContact CD1-CE1 3.53Å; I36-F132 HydrophobicContact CD1-CZ 4.03Å; R57-F132 HydrophobicContact CB-CE2 4.46Å; R57-F132 HydrophobicContact CB-CZ 4.05Å; R57-F132 HydrophobicContact CG-CE1 4.19Å; R57-F132 HydrophobicContact CG-CE2 3.91Å; R57-F132 HydrophobicContact CG-CZ 3.64Å; R57-F132 PolarHBondContact NE-O 3.42Å; R57-F132 PolarHBondContact NH2-O 2.99Å; E61-F132 HydrophobicContact CB-CE2 4.08Å; F62-F132 HydrophobicContact CD1-CE1 4.21Å; F62-F132 AromaticContact CD1-CZ 3.81Å; F62-F132 HydrophobicContact CD1-CZ 3.81Å; F62-F132 HydrophobicContact CD2-CZ 4.1Å; F62-F132 AromaticContact CE1-CE1 3.98Å; F62-F132 HydrophobicContact CE1-CE1 3.98Å; F62-F132 AromaticContact CE1-CZ 3.85Å; F62-F132 HydrophobicContact CE1-CZ 3.85Å; F62-F132 HydrophobicContact CE2-CZ 4.12Å; F62-F132 AromaticContact CG-CZ 3.95Å; F62-F132 HydrophobicContact CG-CZ 3.95Å; F62-F132 HydrophobicContact CZ-CE1 4.33Å; F62-F132 HydrophobicContact CZ-CZ 4Å; L65-F132 HydrophobicContact CB-CD2 4.27Å; L65-F132 HydrophobicContact CB-CE2 4.41Å; L65-F132 HydrophobicContact CD2-CB 4.31Å; L65-F132 HydrophobicContact CD2-CD1 3.72Å; L65-F132 HydrophobicContact CD2-CD2 4.09Å; L65-F132 HydrophobicContact CD2-CE1 3.99Å; L65-F132 HydrophobicContact CD2-CE2 4.33Å; L65-F132 HydrophobicContact CD2-CG 3.77Å; L65-F132 HydrophobicContact CD2-CZ 4.28Å; L114-F132 HydrophobicContact CD2-CD1 4.25Å; L114-F132 HydrophobicContact CD2-CE1 3.79Å; I128-F132 VanDerWaalsContact O-CB 3.32Å; I128-F132 WeakPolarHBondContact O-CB 3.43Å; I128-F132 PolarHBondContact O-N 3.31Å; F129-F132 WeakPolarHBondContact O-CB 3.27Å; F129-F132 PolarHBondContact O-N 3.21Å; Y130-F132 VanDerWaalsContact C-N 3.3Å; Y130-F132 PolarHBondContact O-N 2.98Å; F132-W139 HydrophobicContact CB-CE3 4.36Å; F132-W139 HydrophobicContact CD2-CD2 4.22Å; F132-W139 HydrophobicContact CD2-CE3 4.1Å; F132-W139 AromaticContact CD2-CH2 3.6Å; F132-W139 HydrophobicContact CD2-CH2 3.6Å; F132-W139 AromaticContact CD2-CZ2 3.73Å; F132-W139 HydrophobicContact CD2-CZ2 3.73Å; F132-W139 AromaticContact CD2-CZ3 3.79Å; F132-W139 HydrophobicContact CD2-CZ3 3.79Å; F132-W139 AromaticContact CE2-CH2 3.96Å; F132-W139 HydrophobicContact CE2-CH2 3.96Å; F132-W139 HydrophobicContact CE2-CZ2 4.01Å |
| 133 | L | 94.5 | Very high | 93.6 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -82 | -28.9 | 179.7 | -66.4 | 176.2 | 0 | 0 | 0 | 113.7 | I11 I36 T38 L55 L114 F129 Y130 S131 | I11-L133 HydrophobicContact CD1-CD1 3.76Å; I11-L133 HydrophobicContact CG1-CD1 4.42Å; I11-L133 HydrophobicContact CG2-CD2 4.27Å; I36-L133 HydrophobicContact CG2-CD2 3.93Å; T38-L133 HydrophobicContact CG2-CB 4.14Å; T38-L133 HydrophobicContact CG2-CD2 4.33Å; L55-L133 WeakPolarHBondContact CD2-O 3.44Å; L114-L133 HydrophobicContact CD1-CD2 4.1Å; L114-L133 HydrophobicContact CD2-CD2 4.26Å; F129-L133 HydrophobicContact CD1-CD1 4.38Å; F129-L133 HydrophobicContact CE1-CD1 3.83Å; F129-L133 HydrophobicContact CE2-CD1 4.1Å; F129-L133 HydrophobicContact CE2-CG 4.33Å; F129-L133 HydrophobicContact CZ-CD1 3.68Å; F129-L133 HydrophobicContact CZ-CG 4.39Å; F129-L133 WeakPolarHBondContact O-CG 3.42Å; F129-L133 PolarHBondContact O-N 2.77Å; Y130-L133 WeakPolarHBondContact O-CB 3.32Å; Y130-L133 PolarHBondContact O-N 3.46Å; S131-L133 PolarHBondContact O-N 3.09Å |
| 134 | T | 91 | Very high | 93.4 | Very high | 43 Ų | 43 | 50.2 Ų | 50.2 | 26% | 0.264 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -115.8 | -18.8 | -169.2 | 67.5 | 0 | 0 | 0 | 0 | 115.7 | Y130 S131 | Y130-T134 HydrophobicContact CD2-CG2 4.31Å; Y130-T134 HydrophobicContact CE1-CG2 4.13Å; Y130-T134 HydrophobicContact CE2-CG2 3.9Å; Y130-T134 PolarHBondContact O-N 2.94Å; Y130-T134 VanDerWaalsContact O-N 3.07Å; Y130-T134 PolarHBondContact O-OG1 2.92Å; S131-T134 PolarHBondContact O-N 2.97Å |
| 135 | Q | 92.8 | Very high | 93.4 | Very high | 76 Ų | 76 | 57.7 Ų | 57.7 | 36% | 0.355 | 29% | 0.292 | S | S | . | . | trans | -112.4 | 118.6 | -173.4 | -61.2 | -175.6 | -2.8 | 0 | 0 | 112.3 | R57 S131 G137 | R57-Q135 PolarHBondContact NH2-O 3.23Å; S131-Q135 WeakPolarHBondContact O-CB 3.5Å; S131-Q135 PolarHBondContact O-N 3.06Å; Q135-G137 VanDerWaalsContact C-N 3.31Å; Q135-G137 PolarHBondContact O-N 3.39Å | ||
| 136 | E | 88.6 | Confident | 93.4 | Very high | 159 Ų | 159 | 52.4 Ų | 52.4 | 74% | 0.743 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -58 | -39.5 | 179.5 | -69.7 | -167.2 | 153.7 | 0 | 0 | 113.7 | L55 R57 | L55-E136 HydrophobicContact CB-CG 4.33Å; R57-E136 PolarHBondContact NH1-O 3.47Å; R57-E136 VanDerWaalsContact NH1-O 3.09Å |
| 137 | G | 89.6 | Confident | 93.2 | Very high | 50 Ų | 50 | 53.1 Ų | 53.1 | 52% | 0.515 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -134.7 | 178 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q135 W139 | Q135-G137 VanDerWaalsContact C-N 3.31Å; Q135-G137 PolarHBondContact O-N 3.39Å; G137-W139 PolarHBondContact O-N 2.84Å; G137-W139 VanDerWaalsContact O-N 3.11Å |
| 138 | G | 90.3 | Very high | 92.9 | Very high | 37 Ų | 37 | 49 Ų | 49 | 38% | 0.381 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 80.6 | -23.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | K140 E141 M142 | G138-K140 VanDerWaalsContact C-N 3.33Å; G138-K140 PolarHBondContact O-N 2.82Å; G138-E141 WeakPolarHBondContact CA-OE2 3.19Å; G138-E141 PolarHBondContact N-OE2 3.41Å; G138-E141 WeakPolarHBondContact O-CB 3.43Å; G138-E141 PolarHBondContact O-N 2.82Å; G138-M142 WeakPolarHBondContact O-CG 3.3Å; G138-M142 PolarHBondContact O-N 3.34Å |
| 139 | W | 94.5 | Very high | 92.5 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.9 | -30.5 | -177.4 | 81.2 | -89.8 | 0 | 0 | 0 | 113.8 | E61 L64 I128 F132 G137 M142 V143 | E61-W139 HydrophobicContact CB-CH2 4.17Å; E61-W139 HydrophobicContact CB-CZ2 3.77Å; E61-W139 HydrophobicContact CG-CZ2 4.02Å; L64-W139 HydrophobicContact CB-CH2 4.26Å; L64-W139 HydrophobicContact CD2-CH2 3.84Å; L64-W139 HydrophobicContact CD2-CZ3 4.16Å; L64-W139 HydrophobicContact CG-CH2 4.2Å; L64-W139 HydrophobicContact CG-CZ3 4.38Å; I128-W139 HydrophobicContact CG2-CE3 4.43Å; F132-W139 HydrophobicContact CB-CE3 4.36Å; F132-W139 HydrophobicContact CD2-CD2 4.22Å; F132-W139 HydrophobicContact CD2-CE3 4.1Å; F132-W139 AromaticContact CD2-CH2 3.6Å; F132-W139 HydrophobicContact CD2-CH2 3.6Å; F132-W139 AromaticContact CD2-CZ2 3.73Å; F132-W139 HydrophobicContact CD2-CZ2 3.73Å; F132-W139 AromaticContact CD2-CZ3 3.79Å; F132-W139 HydrophobicContact CD2-CZ3 3.79Å; F132-W139 AromaticContact CE2-CH2 3.96Å; F132-W139 HydrophobicContact CE2-CH2 3.96Å; F132-W139 HydrophobicContact CE2-CZ2 4.01Å; G137-W139 PolarHBondContact O-N 2.84Å; G137-W139 VanDerWaalsContact O-N 3.11Å; W139-M142 HydrophobicContact CB-CE 4.02Å; W139-M142 PolarHBondContact O-N 3.3Å; W139-V143 HydrophobicContact CE3-CG2 3.71Å; W139-V143 HydrophobicContact CZ3-CG2 3.75Å; W139-V143 VanDerWaalsContact O-CG2 3.28Å; W139-V143 WeakPolarHBondContact O-CG2 3.49Å; W139-V143 PolarHBondContact O-N 2.56Å |
| 140 | K | 93.7 | Very high | 92 | Very high | 76 Ų | 76 | 62.8 Ų | 62.8 | 33% | 0.33 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.9 | -38.5 | 177.1 | -67.8 | 177.6 | -178.1 | 154.3 | 0 | 111.3 | E61 L64 G138 V143 N144 | E61-K140 WeakPolarHBondContact OE1-CE 3.4Å; E61-K140 IonicContact OE1-NZ 2.92Å; E61-K140 PolarHBondContact OE1-NZ 3.02Å; L64-K140 HydrophobicContact CD2-CG 4.04Å; G138-K140 VanDerWaalsContact C-N 3.33Å; G138-K140 PolarHBondContact O-N 2.82Å; K140-V143 WeakPolarHBondContact O-CB 3.28Å; K140-V143 PolarHBondContact O-N 2.79Å; K140-N144 PolarHBondContact O-N 3.38Å; K140-N144 PolarHBondContact O-ND2 2.73Å |
| 141 | E | 94.1 | Very high | 91.6 | Very high | 104 Ų | 104 | 63.7 Ų | 63.7 | 49% | 0.486 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62 | -47.3 | 173.7 | -65 | 70.3 | -158.1 | 0 | 0 | 109.3 | G138 V143 N144 E145 | G138-E141 WeakPolarHBondContact CA-OE2 3.19Å; G138-E141 PolarHBondContact N-OE2 3.41Å; G138-E141 WeakPolarHBondContact O-CB 3.43Å; G138-E141 PolarHBondContact O-N 2.82Å; E141-V143 VanDerWaalsContact C-N 3.31Å; E141-V143 PolarHBondContact O-N 3.26Å; E141-N144 WeakPolarHBondContact O-CB 3.34Å; E141-N144 PolarHBondContact O-N 3.49Å; E141-E145 WeakPolarHBondContact O-CG 3.5Å; E141-E145 PolarHBondContact O-N 3.46Å |
| 142 | M | 94 | Very high | 91.1 | Very high | 43 Ų | 43 | 65.6 Ų | 65.6 | 21% | 0.212 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.6 | -41.3 | 174.1 | -68.7 | -167.4 | -72.2 | 0 | 0 | 112.8 | I128 S131 G138 W139 N144 E145 T146 | I128-M142 HydrophobicContact CD1-CB 3.67Å; S131-M142 VanDerWaalsContact OG-CE 3.22Å; S131-M142 WeakPolarHBondContact OG-CE 3.49Å; G138-M142 WeakPolarHBondContact O-CG 3.3Å; G138-M142 PolarHBondContact O-N 3.34Å; W139-M142 HydrophobicContact CB-CE 4.02Å; W139-M142 PolarHBondContact O-N 3.3Å; M142-N144 VanDerWaalsContact C-N 3.33Å; M142-N144 PolarHBondContact O-N 2.86Å; M142-E145 PolarHBondContact O-N 2.93Å; M142-T146 WeakPolarHBondContact O-CG2 3.33Å; M142-T146 PolarHBondContact O-N 2.79Å |
| 143 | V | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.2 | -46.7 | 173.8 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | L64 Y68 I128 W139 K140 E141 T146 F148 | L64-V143 HydrophobicContact CD1-CG1 4.04Å; L64-V143 HydrophobicContact CG-CG1 4.28Å; Y68-V143 HydrophobicContact CD2-CG1 4.24Å; Y68-V143 HydrophobicContact CG-CG1 4.42Å; I128-V143 HydrophobicContact CD1-CG2 4.19Å; I128-V143 HydrophobicContact CG1-CG2 4.44Å; I128-V143 HydrophobicContact CG2-CG2 3.42Å; I128-V143 VanDerWaalsContact CG2-CG2 3.42Å; W139-V143 HydrophobicContact CE3-CG2 3.71Å; W139-V143 HydrophobicContact CZ3-CG2 3.75Å; W139-V143 VanDerWaalsContact O-CG2 3.28Å; W139-V143 WeakPolarHBondContact O-CG2 3.49Å; W139-V143 PolarHBondContact O-N 2.56Å; K140-V143 WeakPolarHBondContact O-CB 3.28Å; K140-V143 PolarHBondContact O-N 2.79Å; E141-V143 VanDerWaalsContact C-N 3.31Å; E141-V143 PolarHBondContact O-N 3.26Å; V143-T146 WeakPolarHBondContact O-CB 3.44Å; V143-T146 PolarHBondContact O-N 3.17Å; V143-T146 PolarHBondContact O-OG1 3.12Å; V143-F148 HydrophobicContact CG1-CD1 3.66Å; V143-F148 HydrophobicContact CG1-CE1 3.57Å; V143-F148 HydrophobicContact CG1-CZ 4.42Å |
| 144 | N | 91.8 | Very high | 89.9 | Confident | 85 Ų | 85 | 71.9 Ų | 71.9 | 46% | 0.455 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.9 | -37.8 | -179 | -69.2 | -33.3 | 0 | 0 | 0 | 112.1 | K140 E141 M142 T146 G147 | K140-N144 PolarHBondContact O-N 3.38Å; K140-N144 PolarHBondContact O-ND2 2.73Å; E141-N144 WeakPolarHBondContact O-CB 3.34Å; E141-N144 PolarHBondContact O-N 3.49Å; M142-N144 VanDerWaalsContact C-N 3.33Å; M142-N144 PolarHBondContact O-N 2.86Å; N144-T146 PolarHBondContact O-N 3.29Å; N144-G147 PolarHBondContact O-N 3.3Å |
| 145 | E | 93.5 | Very high | 89.2 | Confident | 158 Ų | 158 | 80.4 Ų | 80.4 | 74% | 0.738 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62 | -26.5 | 176.2 | -73.3 | 172.2 | -177.4 | 0 | 0 | 113 | E141 M142 G147 | E141-E145 WeakPolarHBondContact O-CG 3.5Å; E141-E145 PolarHBondContact O-N 3.46Å; M142-E145 PolarHBondContact O-N 2.93Å; E145-G147 PolarHBondContact O-N 2.62Å; E145-G147 VanDerWaalsContact O-N 3.09Å |
| 146 | T | 92.1 | Very high | 88.6 | Confident | 40 Ų | 40 | 82.9 Ų | 82.9 | 25% | 0.245 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -12.9 | 173.4 | 74.7 | 0 | 0 | 0 | 0 | 113.8 | Y68 I128 M142 V143 N144 F148 K151 | Y68-T146 HydrophobicContact CE2-CG2 3.72Å; I128-T146 HydrophobicContact CD1-CG2 4.31Å; I128-T146 HydrophobicContact CG1-CG2 4.35Å; M142-T146 WeakPolarHBondContact O-CG2 3.33Å; M142-T146 PolarHBondContact O-N 2.79Å; V143-T146 WeakPolarHBondContact O-CB 3.44Å; V143-T146 PolarHBondContact O-N 3.17Å; V143-T146 PolarHBondContact O-OG1 3.12Å; N144-T146 PolarHBondContact O-N 3.29Å; T146-F148 PolarHBondContact O-N 2.83Å; T146-F148 PolarHBondContact OG1-N 3.08Å; T146-K151 PolarHBondContact O-NZ 3.26Å |
| 147 | G | 90.4 | Very high | 88.4 | Confident | 21 Ų | 21 | 78.9 Ų | 78.9 | 22% | 0.216 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 22.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N144 E145 Q149 L150 K151 | N144-G147 PolarHBondContact O-N 3.3Å; E145-G147 PolarHBondContact O-N 2.62Å; E145-G147 VanDerWaalsContact O-N 3.09Å; G147-Q149 PolarHBondContact O-N 3.31Å; G147-Q149 VanDerWaalsContact O-N 3.12Å; G147-L150 WeakPolarHBondContact O-CB 3.48Å; G147-L150 PolarHBondContact O-N 3.31Å; G147-K151 PolarHBondContact O-N 2.9Å |
| 148 | F | 89.4 | Confident | 88.1 | Confident | 17 Ų | 17 | 77.4 Ų | 77.4 | 8% | 0.075 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -56.9 | -33 | -174 | 90.3 | -80.4 | 0 | 0 | 0 | 112.6 | L64 N67 Y68 V71 V143 T146 L150 K151 A152 | L64-F148 HydrophobicContact CD1-CE1 4.18Å; L64-F148 HydrophobicContact CD1-CZ 3.87Å; N67-F148 HydrophobicContact CB-CE2 4.46Å; Y68-F148 HydrophobicContact CD2-CB 4.05Å; Y68-F148 HydrophobicContact CD2-CG 4.34Å; V71-F148 HydrophobicContact CB-CD2 4.36Å; V71-F148 HydrophobicContact CG1-CB 4.35Å; V71-F148 WeakPolarHBondContact CG1-O 3.47Å; V71-F148 HydrophobicContact CG2-CD2 4.23Å; V143-F148 HydrophobicContact CG1-CD1 3.66Å; V143-F148 HydrophobicContact CG1-CE1 3.57Å; V143-F148 HydrophobicContact CG1-CZ 4.42Å; T146-F148 PolarHBondContact O-N 2.83Å; T146-F148 PolarHBondContact OG1-N 3.08Å; F148-L150 VanDerWaalsContact C-N 3.25Å; F148-L150 PolarHBondContact O-N 2.95Å; F148-K151 CarbonylContact O-C 3.55Å; F148-K151 PolarHBondContact O-N 2.65Å; F148-K151 VanDerWaalsContact O-N 3.08Å; F148-A152 PolarHBondContact O-N 3.09Å |
| 149 | Q | 87.2 | Confident | 87.7 | Confident | 132 Ų | 132 | 80.1 Ų | 80.1 | 62% | 0.617 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.6 | -34 | 177.3 | -61.1 | -173.8 | 3.3 | 0 | 0 | 112.6 | G147 | G147-Q149 PolarHBondContact O-N 3.31Å; G147-Q149 VanDerWaalsContact O-N 3.12Å |
| 150 | L | 86.5 | Confident | 87.2 | Confident | 163 Ų | 163 | 83.7 Ų | 83.7 | 85% | 0.853 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -76 | -28.2 | 176.7 | -61.3 | 173.6 | 0 | 0 | 0 | 112 | G147 F148 A152 | G147-L150 WeakPolarHBondContact O-CB 3.48Å; G147-L150 PolarHBondContact O-N 3.31Å; F148-L150 VanDerWaalsContact C-N 3.25Å; F148-L150 PolarHBondContact O-N 2.95Å; L150-A152 VanDerWaalsContact C-N 3.34Å |
| 151 | K | 84.8 | Confident | 86.9 | Confident | 126 Ų | 126 | 80.1 Ų | 80.1 | 55% | 0.548 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -81.6 | -16.8 | 176.3 | -61 | 175.6 | -173.9 | 165.9 | 0 | 112.5 | V71 T146 G147 F148 D153 | V71-K151 HydrophobicContact CG1-CB 3.61Å; T146-K151 PolarHBondContact O-NZ 3.26Å; G147-K151 PolarHBondContact O-N 2.9Å; F148-K151 CarbonylContact O-C 3.55Å; F148-K151 PolarHBondContact O-N 2.65Å; F148-K151 VanDerWaalsContact O-N 3.08Å; K151-D153 PolarHBondContact O-N 3.04Å |
| 152 | A | 83.4 | Confident | 86.4 | Confident | 43 Ų | 43 | 77 Ų | 77 | 36% | 0.355 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -69.8 | 124.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | V71 F148 L150 | V71-A152 HydrophobicContact CG2-CB 3.92Å; F148-A152 PolarHBondContact O-N 3.09Å; L150-A152 VanDerWaalsContact C-N 3.34Å |
| 153 | D | 84.1 | Confident | 86 | Confident | 67 Ų | 67 | 83.2 Ų | 83.2 | 36% | 0.358 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 137.3 | 177.4 | -64 | -59.9 | 0 | 0 | 0 | 111 | K151 R155 K272 L275 | K151-D153 PolarHBondContact O-N 3.04Å; D153-R155 PolarHBondContact O-N 3.2Å; D153-K272 IonicContact OD1-NZ 3.5Å; D153-K272 IonicContact OD2-NZ 3.29Å; D153-K272 PolarHBondContact OD2-NZ 2.89Å; D153-L275 HydrophobicContact CB-CD2 3.46Å; D153-L275 VanDerWaalsContact CB-CD2 3.46Å; D153-L275 VanDerWaalsContact OD1-CD2 3.28Å; D153-L275 WeakPolarHBondContact OD1-CD2 3.45Å; D153-L275 WeakPolarHBondContact OD2-CD2 3.41Å |
| 154 | S | 82.6 | Confident | 85.7 | Confident | 67 Ų | 67 | 90.7 Ų | 90.7 | 47% | 0.469 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 129.7 | 173.3 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | L156 K157 A158 | S154-L156 PolarHBondContact O-N 2.73Å; S154-L156 PolarHBondContact OG-N 3.29Å; S154-K157 WeakPolarHBondContact O-CA 3.46Å; S154-K157 WeakPolarHBondContact O-CB 3.41Å; S154-K157 PolarHBondContact O-N 3.26Å; S154-A158 PolarHBondContact O-N 3.03Å |
| 155 | R | 76.1 | Confident | 85.7 | Confident | 222 Ų | 222 | 87.8 Ų | 87.8 | 84% | 0.838 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -53.5 | -39.2 | 176.8 | -67.9 | -175.3 | 179.3 | -177.6 | 0.1 | 112.1 | D153 A158 L159 | D153-R155 PolarHBondContact O-N 3.2Å; R155-A158 PolarHBondContact O-N 3.45Å; R155-L159 WeakPolarHBondContact O-CB 3.4Å; R155-L159 VanDerWaalsContact O-CG 3.26Å; R155-L159 WeakPolarHBondContact O-CG 3.32Å; R155-L159 PolarHBondContact O-N 3.43Å |
| 156 | L | 79.6 | Confident | 85.4 | Confident | 128 Ų | 128 | 87 Ų | 87 | 67% | 0.67 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65.4 | -38.8 | 177 | -67.5 | 174.6 | 0 | 0 | 0 | 111.9 | S154 N160 | S154-L156 PolarHBondContact O-N 2.73Å; S154-L156 PolarHBondContact OG-N 3.29Å; L156-N160 WeakPolarHBondContact O-CB 3.47Å; L156-N160 PolarHBondContact O-N 2.83Å; L156-N160 PolarHBondContact O-ND2 3.5Å |
| 157 | K | 84.6 | Confident | 85.1 | Confident | 76 Ų | 76 | 90.7 Ų | 90.7 | 33% | 0.33 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67 | -45.9 | 176.8 | -166.9 | -170.4 | 176.3 | -161.1 | 0 | 111 | S154 L159 N160 A161 L275 D279 | S154-K157 WeakPolarHBondContact O-CA 3.46Å; S154-K157 WeakPolarHBondContact O-CB 3.41Å; S154-K157 PolarHBondContact O-N 3.26Å; K157-L159 VanDerWaalsContact C-N 3.35Å; K157-L159 PolarHBondContact O-N 3.16Å; K157-N160 PolarHBondContact O-N 3.39Å; K157-A161 PolarHBondContact O-N 3.1Å; K157-L275 HydrophobicContact CD-CD1 3.95Å; K157-L275 HydrophobicContact CG-CD1 3.84Å; K157-D279 WeakPolarHBondContact CE-OD1 3.36Å; K157-D279 IonicContact NZ-OD1 2.7Å; K157-D279 PolarHBondContact NZ-OD1 3.04Å; K157-D279 IonicContact NZ-OD2 2.8Å; K157-D279 PolarHBondContact NZ-OD2 3.5Å |
| 158 | A | 83.3 | Confident | 84.9 | Confident | 19 Ų | 19 | 92.9 Ų | 92.9 | 16% | 0.157 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S154 R155 A161 T162 | S154-A158 PolarHBondContact O-N 3.03Å; R155-A158 PolarHBondContact O-N 3.45Å; A158-A161 PolarHBondContact O-N 3.37Å; A158-T162 PolarHBondContact O-N 3.41Å; A158-T162 PolarHBondContact O-OG1 2.76Å |
| 159 | L | 80.8 | Confident | 84.9 | Confident | 94 Ų | 94 | 94 Ų | 94 | 49% | 0.492 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 173.3 | -74.2 | 174.4 | 0 | 0 | 0 | 111.6 | R155 K157 A161 T162 F163 | R155-L159 WeakPolarHBondContact O-CB 3.4Å; R155-L159 VanDerWaalsContact O-CG 3.26Å; R155-L159 WeakPolarHBondContact O-CG 3.32Å; R155-L159 PolarHBondContact O-N 3.43Å; K157-L159 VanDerWaalsContact C-N 3.35Å; K157-L159 PolarHBondContact O-N 3.16Å; L159-A161 VanDerWaalsContact C-N 3.28Å; L159-A161 PolarHBondContact O-N 2.8Å; L159-T162 WeakPolarHBondContact O-CB 3.37Å; L159-T162 PolarHBondContact O-N 2.85Å; L159-T162 VanDerWaalsContact O-N 3.16Å; L159-F163 WeakPolarHBondContact O-CD2 3.41Å; L159-F163 PolarHBondContact O-N 2.93Å |
| 160 | N | 84.4 | Confident | 85.2 | Confident | 77 Ų | 77 | 95.6 Ų | 95.6 | 41% | 0.412 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.6 | -42.1 | 176.7 | -82 | -22.9 | 0 | 0 | 0 | 112.1 | L156 K157 F163 R164 | L156-N160 WeakPolarHBondContact O-CB 3.47Å; L156-N160 PolarHBondContact O-N 2.83Å; L156-N160 PolarHBondContact O-ND2 3.5Å; K157-N160 PolarHBondContact O-N 3.39Å; N160-F163 PolarHBondContact O-N 3.25Å; N160-R164 VanDerWaalsContact O-CB 3.3Å; N160-R164 WeakPolarHBondContact O-CB 3.3Å; N160-R164 WeakPolarHBondContact O-CG 3.39Å; N160-R164 PolarHBondContact O-N 3.31Å; N160-R164 VanDerWaalsContact O-N 3.16Å |
| 161 | A | 87.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 92.5 Ų | 92.5 | 0% | 0 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -59.2 | -48.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | K157 A158 L159 F163 R164 V165 L275 Y278 | K157-A161 PolarHBondContact O-N 3.1Å; A158-A161 PolarHBondContact O-N 3.37Å; L159-A161 VanDerWaalsContact C-N 3.28Å; L159-A161 PolarHBondContact O-N 2.8Å; A161-F163 PolarHBondContact O-N 2.95Å; A161-R164 PolarHBondContact O-N 3.41Å; A161-V165 VanDerWaalsContact O-CG2 3.26Å; A161-V165 WeakPolarHBondContact O-CG2 3.45Å; A161-V165 PolarHBondContact O-N 2.94Å; A161-L275 HydrophobicContact CB-CB 4.27Å; A161-L275 HydrophobicContact CB-CD1 3.81Å; A161-Y278 HydrophobicContact CB-CD1 4.06Å; A161-Y278 HydrophobicContact CB-CD2 4.43Å; A161-Y278 HydrophobicContact CB-CG 3.76Å |
| 162 | T | 85.3 | Confident | 86.1 | Confident | 40 Ų | 40 | 86.6 Ų | 86.6 | 25% | 0.245 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -51.5 | -36.5 | -179.5 | -53.3 | 0 | 0 | 0 | 0 | 113 | A158 L159 E274 | A158-T162 PolarHBondContact O-N 3.41Å; A158-T162 PolarHBondContact O-OG1 2.76Å; L159-T162 WeakPolarHBondContact O-CB 3.37Å; L159-T162 PolarHBondContact O-N 2.85Å; L159-T162 VanDerWaalsContact O-N 3.16Å; T162-E274 PolarHBondContact OG1-OE2 3.13Å |
| 163 | F | 85.4 | Confident | 86.5 | Confident | 173 Ų | 173 | 86.8 Ų | 86.8 | 76% | 0.759 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -93.7 | -14.6 | -178.3 | -64.6 | -70.6 | 0 | 0 | 0 | 114.8 | L159 N160 A161 | L159-F163 WeakPolarHBondContact O-CD2 3.41Å; L159-F163 PolarHBondContact O-N 2.93Å; N160-F163 PolarHBondContact O-N 3.25Å; A161-F163 PolarHBondContact O-N 2.95Å |
| 164 | R | 88.3 | Confident | 87.1 | Confident | 156 Ų | 156 | 89.7 Ų | 89.7 | 59% | 0.589 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -117.2 | -8.3 | -169.6 | -67.8 | -175.6 | 175.3 | -166.6 | -2.2 | 114.9 | N160 A161 K166 Y278 | N160-R164 VanDerWaalsContact O-CB 3.3Å; N160-R164 WeakPolarHBondContact O-CB 3.3Å; N160-R164 WeakPolarHBondContact O-CG 3.39Å; N160-R164 PolarHBondContact O-N 3.31Å; N160-R164 VanDerWaalsContact O-N 3.16Å; A161-R164 PolarHBondContact O-N 3.41Å; R164-K166 PolarHBondContact O-N 3.3Å; R164-Y278 HydrophobicContact CB-CD2 4.08Å; R164-Y278 HydrophobicContact CB-CE2 3.75Å |
| 165 | V | 89.9 | Confident | 87.8 | Confident | 24 Ų | 24 | 86.9 Ų | 86.9 | 15% | 0.145 | 41% | 0.408 | C | S | . | . | trans | -57.7 | 125 | 170.6 | 168.9 | 0 | 0 | 0 | 0 | 109.1 | A161 P168 E274 Q277 | A161-V165 VanDerWaalsContact O-CG2 3.26Å; A161-V165 WeakPolarHBondContact O-CG2 3.45Å; A161-V165 PolarHBondContact O-N 2.94Å; V165-P168 HydrophobicContact CG1-CB 4.09Å; V165-E274 HydrophobicContact CG2-CB 4.43Å; V165-E274 WeakPolarHBondContact CG2-O 3.31Å; V165-Q277 HydrophobicContact CG1-CB 4.44Å; V165-Q277 HydrophobicContact CG1-CG 3.75Å; V165-Q277 HydrophobicContact CG2-CB 4.45Å | ||
| 166 | K | 87.2 | Confident | 88.7 | Confident | 143 Ų | 143 | 78.6 Ų | 78.6 | 62% | 0.622 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -87 | -36.9 | -178.8 | -66 | 179.6 | -177.3 | 168.7 | 0 | 111.9 | R164 P168 E281 | R164-K166 PolarHBondContact O-N 3.3Å; K166-P168 WeakPolarHBondContact O-CD 3.34Å; K166-E281 PolarHBondContact N-OE2 2.98Å |
| 167 | N | 85.9 | Confident | 89.5 | Confident | 116 Ų | 116 | 78.2 Ų | 78.2 | 62% | 0.62 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -121.7 | 75.2 | -177 | -62.4 | -45.6 | 0 | 0 | 0 | 110.7 | Q277 E281 | N167-Q277 PolarHBondContact O-NE2 2.93Å; N167-E281 PolarHBondContact N-OE1 3.46Å |
| 168 | P | 86.3 | Confident | 90 | Very high | 68 Ų | 68 | 78.4 Ų | 78.4 | 44% | 0.442 | 37% | 0.371 | S | S | . | . | trans | -67.8 | 139.8 | 177.2 | 28.7 | -33.8 | 0 | 0 | 0 | 111.2 | V165 K166 K170 | V165-P168 HydrophobicContact CG1-CB 4.09Å; K166-P168 WeakPolarHBondContact O-CD 3.34Å; P168-K170 PolarHBondContact O-N 3.15Å | ||
| 169 | D | 90.9 | Very high | 90.7 | Very high | 41 Ų | 41 | 77.5 Ų | 77.5 | 22% | 0.219 | 36% | 0.364 | C | S | . | . | trans | -68.3 | 121.7 | 171.5 | -175.5 | -43.9 | 0 | 0 | 0 | 109.2 | R171 F172 T173 H273 | D169-R171 PolarHBondContact O-N 2.79Å; D169-R171 VanDerWaalsContact OD1-CB 3.31Å; D169-R171 WeakPolarHBondContact OD1-CB 3.07Å; D169-R171 PolarHBondContact OD1-N 3.38Å; D169-R171 IonicContact OD1-NE 2.6Å; D169-R171 PolarHBondContact OD1-NE 2.93Å; D169-R171 IonicContact OD1-NH2 2.56Å; D169-R171 IonicContact OD2-CZ 3.49Å; D169-R171 IonicContact OD2-NE 2.73Å; D169-R171 PolarHBondContact OD2-NE 3.03Å; D169-R171 IonicContact OD2-NH2 3.61Å; D169-R171 PolarHBondContact OD2-NH2 3.1Å; D169-F172 HydrophobicContact CB-CD2 4.02Å; D169-F172 PolarHBondContact O-N 3.2Å; D169-F172 VanDerWaalsContact O-N 3.09Å; D169-T173 PolarHBondContact O-N 3.38Å; D169-T173 PolarHBondContact O-OG1 2.86Å; D169-H273 WeakPolarHBondContact CB-CE1 3.28Å | ||
| 170 | K | 93.3 | Very high | 91.4 | Very high | 165 Ų | 165 | 76.4 Ų | 76.4 | 72% | 0.717 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -53.7 | -38.8 | -177.4 | -66 | -177.2 | 174.5 | -178.8 | 0 | 112.9 | P168 F172 T173 E174 | P168-K170 PolarHBondContact O-N 3.15Å; K170-F172 VanDerWaalsContact C-N 3.32Å; K170-F172 PolarHBondContact O-N 3.05Å; K170-T173 PolarHBondContact O-N 3.2Å; K170-E174 WeakPolarHBondContact O-CB 3.42Å; K170-E174 WeakPolarHBondContact O-CG 3.4Å; K170-E174 PolarHBondContact O-N 3.49Å |
| 171 | R | 93.8 | Very high | 92 | Very high | 97 Ų | 97 | 78.8 Ų | 78.8 | 37% | 0.366 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.2 | -38.8 | -178.8 | -64.6 | 174.3 | -68.1 | 173.1 | -1.6 | 111.7 | D169 L175 W356 | D169-R171 PolarHBondContact O-N 2.79Å; D169-R171 VanDerWaalsContact OD1-CB 3.31Å; D169-R171 WeakPolarHBondContact OD1-CB 3.07Å; D169-R171 PolarHBondContact OD1-N 3.38Å; D169-R171 IonicContact OD1-NE 2.6Å; D169-R171 PolarHBondContact OD1-NE 2.93Å; D169-R171 IonicContact OD1-NH2 2.56Å; D169-R171 IonicContact OD2-CZ 3.49Å; D169-R171 IonicContact OD2-NE 2.73Å; D169-R171 PolarHBondContact OD2-NE 3.03Å; D169-R171 IonicContact OD2-NH2 3.61Å; D169-R171 PolarHBondContact OD2-NH2 3.1Å; R171-L175 VanDerWaalsContact O-CB 3.3Å; R171-L175 WeakPolarHBondContact O-CB 3.48Å; R171-L175 PolarHBondContact O-N 3.35Å; R171-W356 HydrophobicContact CB-CH2 3.85Å; R171-W356 HydrophobicContact CB-CZ3 3.85Å; R171-W356 HydrophobicContact CG-CH2 4.42Å |
| 172 | F | 95 | Very high | 92.4 | Very high | 3 Ų | 3 | 79.7 Ų | 79.7 | 1% | 0.013 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -75.6 | -34.1 | 177.3 | -76.9 | -86.9 | 0 | 0 | 0 | 112 | D169 K170 L175 K176 V269 H273 F351 V352 A355 I359 | D169-F172 HydrophobicContact CB-CD2 4.02Å; D169-F172 PolarHBondContact O-N 3.2Å; D169-F172 VanDerWaalsContact O-N 3.09Å; K170-F172 VanDerWaalsContact C-N 3.32Å; K170-F172 PolarHBondContact O-N 3.05Å; F172-L175 PolarHBondContact O-N 3.36Å; F172-K176 WeakPolarHBondContact O-CB 3.13Å; F172-K176 PolarHBondContact O-N 3.36Å; F172-V269 HydrophobicContact CE1-CG1 4.2Å; F172-H273 HydrophobicContact CD1-CB 3.79Å; F172-H273 AromaticContact CD1-CG 3.94Å; F172-H273 HydrophobicContact CD2-CB 4.41Å; F172-H273 AromaticContact CD2-CD2 3.7Å; F172-H273 AromaticContact CD2-CE1 3.83Å; F172-H273 AromaticContact CD2-CG 3.67Å; F172-H273 AromaticContact CD2-ND1 3.74Å; F172-H273 AromaticContact CD2-NE2 3.8Å; F172-H273 HydrophobicContact CE1-CB 3.88Å; F172-H273 HydrophobicContact CE2-CB 4.5Å; F172-H273 AromaticContact CE2-CD2 3.49Å; F172-H273 VanDerWaalsContact CE2-CD2 3.49Å; F172-H273 WeakPolarHBondContact CE2-CD2 3.46Å; F172-H273 AromaticContact CE2-CG 3.83Å; F172-H273 AromaticContact CE2-NE2 3.83Å; F172-H273 HydrophobicContact CG-CB 4.06Å; F172-H273 AromaticContact CG-CG 3.71Å; F172-H273 AromaticContact CG-ND1 3.77Å; F172-H273 HydrophobicContact CZ-CB 4.23Å; F172-H273 AromaticContact CZ-CD2 3.82Å; F172-F351 HydrophobicContact CE1-CE1 4.24Å; F172-F351 HydrophobicContact CZ-CE1 4.1Å; F172-V352 HydrophobicContact CE2-CG1 4.35Å; F172-V352 HydrophobicContact CE2-CG2 4Å; F172-V352 HydrophobicContact CZ-CG2 4.49Å; F172-A355 HydrophobicContact CZ-CB 4.21Å; F172-I359 HydrophobicContact CE1-CD1 4.45Å |
| 173 | T | 93.6 | Very high | 92.9 | Very high | 47 Ų | 47 | 80.9 Ų | 80.9 | 29% | 0.288 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 170.9 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | D169 K170 L175 K176 H177 | D169-T173 PolarHBondContact O-N 3.38Å; D169-T173 PolarHBondContact O-OG1 2.86Å; K170-T173 PolarHBondContact O-N 3.2Å; T173-L175 PolarHBondContact O-N 2.94Å; T173-K176 WeakPolarHBondContact O-CB 3.42Å; T173-K176 PolarHBondContact O-N 3.48Å; T173-H177 PolarHBondContact O-CD2 2.91Å; T173-H177 PolarHBondContact O-N 2.95Å |
| 174 | E | 96 | Very high | 93.5 | Very high | 127 Ų | 127 | 75.3 Ų | 75.3 | 59% | 0.593 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.1 | -43.6 | 175.1 | -73.3 | 168.7 | -169.3 | 0 | 0 | 111.8 | K170 K176 H177 Y178 | K170-E174 WeakPolarHBondContact O-CB 3.42Å; K170-E174 WeakPolarHBondContact O-CG 3.4Å; K170-E174 PolarHBondContact O-N 3.49Å; E174-K176 VanDerWaalsContact C-N 3.31Å; E174-K176 PolarHBondContact O-N 2.99Å; E174-H177 PolarHBondContact O-N 3.39Å; E174-Y178 WeakPolarHBondContact O-CB 3.44Å; E174-Y178 PolarHBondContact O-N 3.18Å |
| 175 | L | 96.5 | Very high | 93.9 | Very high | 9 Ų | 9 | 71.8 Ų | 71.8 | 5% | 0.047 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.4 | -37.9 | 176.4 | -175.8 | 64.7 | 0 | 0 | 0 | 112.5 | R171 F172 T173 Y178 S179 L266 W356 I359 | R171-L175 VanDerWaalsContact O-CB 3.3Å; R171-L175 WeakPolarHBondContact O-CB 3.48Å; R171-L175 PolarHBondContact O-N 3.35Å; F172-L175 PolarHBondContact O-N 3.36Å; T173-L175 PolarHBondContact O-N 2.94Å; L175-Y178 HydrophobicContact CD1-CD1 4.34Å; L175-Y178 WeakPolarHBondContact O-CB 3.15Å; L175-Y178 PolarHBondContact O-N 3.09Å; L175-S179 WeakPolarHBondContact O-CB 3.33Å; L175-S179 PolarHBondContact O-N 3.32Å; L175-S179 PolarHBondContact O-OG 2.85Å; L175-L266 HydrophobicContact CD1-CD2 4.23Å; L175-W356 HydrophobicContact CD2-CZ3 4.5Å; L175-I359 HydrophobicContact CD1-CG2 4.17Å; L175-I359 HydrophobicContact CD2-CD1 3.36Å; L175-I359 HydrophobicContact CD2-CG1 3.98Å; L175-I359 HydrophobicContact CD2-CG2 4.34Å |
| 176 | K | 95.1 | Very high | 94.1 | Very high | 47 Ų | 47 | 71 Ų | 71 | 20% | 0.204 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.4 | -48.3 | 175.3 | -172.2 | 178.5 | -173.2 | 171 | 0 | 110.7 | F172 T173 E174 Y178 S179 D180 C270 E274 | F172-K176 WeakPolarHBondContact O-CB 3.13Å; F172-K176 PolarHBondContact O-N 3.36Å; T173-K176 WeakPolarHBondContact O-CB 3.42Å; T173-K176 PolarHBondContact O-N 3.48Å; E174-K176 VanDerWaalsContact C-N 3.31Å; E174-K176 PolarHBondContact O-N 2.99Å; K176-Y178 VanDerWaalsContact C-N 3.32Å; K176-Y178 PolarHBondContact O-N 2.91Å; K176-S179 WeakPolarHBondContact CA-OG 3.49Å; K176-S179 PolarHBondContact O-N 2.95Å; K176-S179 VanDerWaalsContact O-N 3.11Å; K176-S179 PolarHBondContact O-OG 3.47Å; K176-D180 PolarHBondContact O-N 3.37Å; K176-C270 HydrophobicContact CB-CB 4.43Å; K176-E274 IonicContact NZ-OE1 2.88Å; K176-E274 PolarHBondContact NZ-OE1 3.37Å; K176-E274 IonicContact NZ-OE2 3.36Å; K176-E274 PolarHBondContact NZ-OE2 2.92Å |
| 177 | H | 96.3 | Very high | 94.5 | Very high | 120 Ų | 120 | 64.8 Ų | 64.8 | 56% | 0.556 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -58.1 | -44.7 | 174.1 | -71.8 | -55.6 | 0 | 0 | 0 | 112.4 | T173 E174 S179 D180 E181 | T173-H177 PolarHBondContact O-CD2 2.91Å; T173-H177 PolarHBondContact O-N 2.95Å; E174-H177 PolarHBondContact O-N 3.39Å; H177-S179 VanDerWaalsContact C-N 3.3Å; H177-S179 PolarHBondContact O-N 2.97Å; H177-D180 PolarHBondContact O-N 3.3Å; H177-E181 WeakPolarHBondContact O-CB 3.46Å; H177-E181 PolarHBondContact O-N 2.88Å |
| 178 | Y | 96.4 | Very high | 95 | Very high | 80 Ų | 80 | 64.1 Ų | 64.1 | 31% | 0.314 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.7 | -43 | 174.4 | 172.9 | -98.3 | 0 | 0 | 0 | 112.1 | E174 L175 K176 E181 L182 L266 K366 | E174-Y178 WeakPolarHBondContact O-CB 3.44Å; E174-Y178 PolarHBondContact O-N 3.18Å; L175-Y178 HydrophobicContact CD1-CD1 4.34Å; L175-Y178 WeakPolarHBondContact O-CB 3.15Å; L175-Y178 PolarHBondContact O-N 3.09Å; K176-Y178 VanDerWaalsContact C-N 3.32Å; K176-Y178 PolarHBondContact O-N 2.91Å; Y178-E181 PolarHBondContact O-N 3.29Å; Y178-L182 HydrophobicContact CE1-CD2 4.28Å; Y178-L182 VanDerWaalsContact O-CB 3.31Å; Y178-L182 WeakPolarHBondContact O-CB 3.43Å; Y178-L182 PolarHBondContact O-N 3Å; Y178-L266 HydrophobicContact CD1-CD1 4.28Å; Y178-L266 HydrophobicContact CE1-CD1 4.27Å; Y178-K366 WeakPolarHBondContact OH-CD 3.49Å; Y178-K366 WeakPolarHBondContact OH-CE 3.43Å |
| 179 | S | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.8 | -37.1 | 178.5 | 69.7 | 0 | 0 | 0 | 0 | 113 | L175 K176 H177 Q183 A263 R267 | L175-S179 WeakPolarHBondContact O-CB 3.33Å; L175-S179 PolarHBondContact O-N 3.32Å; L175-S179 PolarHBondContact O-OG 2.85Å; K176-S179 WeakPolarHBondContact CA-OG 3.49Å; K176-S179 PolarHBondContact O-N 2.95Å; K176-S179 VanDerWaalsContact O-N 3.11Å; K176-S179 PolarHBondContact O-OG 3.47Å; H177-S179 VanDerWaalsContact C-N 3.3Å; H177-S179 PolarHBondContact O-N 2.97Å; S179-Q183 WeakPolarHBondContact O-CB 3.43Å; S179-Q183 PolarHBondContact O-N 2.77Å; S179-A263 WeakPolarHBondContact O-CB 3.29Å; S179-R267 WeakPolarHBondContact OG-CD 3.27Å; S179-R267 WeakPolarHBondContact OG-CG 2.96Å |
| 180 | D | 96.4 | Very high | 95.6 | Very high | 72 Ų | 72 | 62.2 Ų | 62.2 | 39% | 0.385 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 174.8 | -69.1 | -33.4 | 0 | 0 | 0 | 110.9 | K176 H177 Q183 S184 R267 | K176-D180 PolarHBondContact O-N 3.37Å; H177-D180 PolarHBondContact O-N 3.3Å; D180-Q183 PolarHBondContact O-N 2.87Å; D180-S184 VanDerWaalsContact O-CB 3.31Å; D180-S184 WeakPolarHBondContact O-CB 3.32Å; D180-S184 PolarHBondContact O-N 2.87Å; D180-R267 VanDerWaalsContact OD1-CD 3.24Å; D180-R267 WeakPolarHBondContact OD1-CD 3.49Å; D180-R267 IonicContact OD1-NE 3.39Å |
| 181 | E | 97.1 | Very high | 95.6 | Very high | 127 Ų | 127 | 60.3 Ų | 60.3 | 59% | 0.593 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.8 | -46.2 | 175.6 | -172.7 | 175.2 | -168.6 | 0 | 0 | 111.7 | H177 Y178 Q183 S184 V185 | H177-E181 WeakPolarHBondContact O-CB 3.46Å; H177-E181 PolarHBondContact O-N 2.88Å; Y178-E181 PolarHBondContact O-N 3.29Å; E181-Q183 VanDerWaalsContact C-N 3.34Å; E181-Q183 PolarHBondContact O-N 3.3Å; E181-S184 WeakPolarHBondContact O-CB 3.3Å; E181-S184 PolarHBondContact O-N 3.42Å; E181-V185 HydrophobicContact CG-CG2 4.28Å; E181-V185 WeakPolarHBondContact O-CB 3.31Å; E181-V185 WeakPolarHBondContact O-CG2 3.37Å; E181-V185 PolarHBondContact O-N 2.89Å |
| 182 | L | 95.3 | Very high | 95.7 | Very high | 18 Ų | 18 | 58.9 Ų | 58.9 | 9% | 0.094 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56 | -48.8 | 175.8 | -179.2 | 66 | 0 | 0 | 0 | 111 | Y178 S184 V185 I186 K366 | Y178-L182 HydrophobicContact CE1-CD2 4.28Å; Y178-L182 VanDerWaalsContact O-CB 3.31Å; Y178-L182 WeakPolarHBondContact O-CB 3.43Å; Y178-L182 PolarHBondContact O-N 3Å; L182-S184 VanDerWaalsContact C-N 3.34Å; L182-S184 PolarHBondContact O-N 3.4Å; L182-V185 PolarHBondContact O-N 3.41Å; L182-I186 HydrophobicContact CD1-CD1 3.66Å; L182-I186 HydrophobicContact CD1-CG1 4.26Å; L182-I186 HydrophobicContact CG-CD1 3.94Å; L182-I186 WeakPolarHBondContact O-CB 3.28Å; L182-I186 VanDerWaalsContact O-CG1 3.31Å; L182-I186 WeakPolarHBondContact O-CG1 3.47Å; L182-I186 PolarHBondContact O-N 2.65Å; L182-K366 HydrophobicContact CD2-CD 4.33Å |
| 183 | Q | 96.1 | Very high | 95.5 | Very high | 66 Ų | 66 | 59.2 Ų | 59.2 | 31% | 0.308 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 177.6 | -171.9 | -178.7 | -14 | 0 | 0 | 111.5 | S179 D180 E181 S187 L260 A263 R267 | S179-Q183 WeakPolarHBondContact O-CB 3.43Å; S179-Q183 PolarHBondContact O-N 2.77Å; D180-Q183 PolarHBondContact O-N 2.87Å; E181-Q183 VanDerWaalsContact C-N 3.34Å; E181-Q183 PolarHBondContact O-N 3.3Å; Q183-S187 VanDerWaalsContact O-CB 3.22Å; Q183-S187 WeakPolarHBondContact O-CB 3.25Å; Q183-S187 PolarHBondContact O-N 3.5Å; Q183-S187 PolarHBondContact O-OG 3.23Å; Q183-L260 HydrophobicContact CB-CD1 4.39Å; Q183-L260 HydrophobicContact CG-CD1 3.59Å; Q183-L260 WeakPolarHBondContact O-CD1 3.44Å; Q183-A263 HydrophobicContact CB-CB 3.73Å; Q183-A263 HydrophobicContact CG-CB 4.39Å; Q183-R267 VanDerWaalsContact OE1-CZ 3.26Å |
| 184 | S | 97 | Very high | 95.5 | Very high | 55 Ų | 55 | 57.4 Ų | 57.4 | 39% | 0.385 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.9 | -52.7 | 179.5 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | D180 E181 L182 I186 S187 H188 | D180-S184 VanDerWaalsContact O-CB 3.31Å; D180-S184 WeakPolarHBondContact O-CB 3.32Å; D180-S184 PolarHBondContact O-N 2.87Å; E181-S184 WeakPolarHBondContact O-CB 3.3Å; E181-S184 PolarHBondContact O-N 3.42Å; L182-S184 VanDerWaalsContact C-N 3.34Å; L182-S184 PolarHBondContact O-N 3.4Å; S184-I186 PolarHBondContact O-N 2.92Å; S184-S187 PolarHBondContact O-N 3.34Å; S184-H188 PolarHBondContact O-N 3.24Å; S184-H188 PolarHBondContact O-ND1 2.97Å; S184-H188 PolarHBondContact OG-CE1 3.04Å; S184-H188 PolarHBondContact OG-ND1 3.07Å |
| 185 | V | 96.4 | Very high | 95.3 | Very high | 83 Ų | 83 | 59.3 Ų | 59.3 | 50% | 0.503 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.1 | -48.1 | -177.5 | 171 | 0 | 0 | 0 | 0 | 111.1 | E181 L182 S187 H188 L189 | E181-V185 HydrophobicContact CG-CG2 4.28Å; E181-V185 WeakPolarHBondContact O-CB 3.31Å; E181-V185 WeakPolarHBondContact O-CG2 3.37Å; E181-V185 PolarHBondContact O-N 2.89Å; L182-V185 PolarHBondContact O-N 3.41Å; V185-S187 PolarHBondContact O-N 3.47Å; V185-H188 PolarHBondContact O-N 3.47Å; V185-L189 WeakPolarHBondContact O-CB 3.19Å; V185-L189 PolarHBondContact O-N 3.45Å |
| 186 | I | 95.6 | Very high | 95.2 | Very high | 8 Ų | 8 | 61.9 Ų | 61.9 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 179.2 | -65.5 | 175.4 | 0 | 0 | 0 | 110.9 | L182 S184 H188 L189 L190 L256 L260 | L182-I186 HydrophobicContact CD1-CD1 3.66Å; L182-I186 HydrophobicContact CD1-CG1 4.26Å; L182-I186 HydrophobicContact CG-CD1 3.94Å; L182-I186 WeakPolarHBondContact O-CB 3.28Å; L182-I186 VanDerWaalsContact O-CG1 3.31Å; L182-I186 WeakPolarHBondContact O-CG1 3.47Å; L182-I186 PolarHBondContact O-N 2.65Å; S184-I186 PolarHBondContact O-N 2.92Å; I186-H188 VanDerWaalsContact C-N 3.32Å; I186-H188 PolarHBondContact O-N 3.27Å; I186-L189 PolarHBondContact O-N 2.94Å; I186-L190 HydrophobicContact CG2-CD1 3.88Å; I186-L190 HydrophobicContact CG2-CG 4.29Å; I186-L190 WeakPolarHBondContact O-CG 3.4Å; I186-L190 PolarHBondContact O-N 2.96Å; I186-L256 HydrophobicContact CG2-CB 4.1Å; I186-L256 WeakPolarHBondContact CG2-O 3.41Å; I186-L260 HydrophobicContact CB-CD1 4.27Å; I186-L260 HydrophobicContact CG2-CB 3.83Å; I186-L260 HydrophobicContact CG2-CD1 4.22Å |
| 187 | S | 95.6 | Very high | 95 | Very high | 11 Ų | 11 | 59.6 Ų | 59.6 | 8% | 0.077 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.9 | -43 | 176.2 | -63.6 | 0 | 0 | 0 | 0 | 111.9 | Q183 S184 V185 R191 L260 | Q183-S187 VanDerWaalsContact O-CB 3.22Å; Q183-S187 WeakPolarHBondContact O-CB 3.25Å; Q183-S187 PolarHBondContact O-N 3.5Å; Q183-S187 PolarHBondContact O-OG 3.23Å; S184-S187 PolarHBondContact O-N 3.34Å; V185-S187 PolarHBondContact O-N 3.47Å; S187-R191 VanDerWaalsContact O-CG 3.3Å; S187-R191 WeakPolarHBondContact O-CG 3.39Å; S187-R191 PolarHBondContact O-N 3.19Å; S187-L260 WeakPolarHBondContact OG-CD1 3.41Å |
| 188 | H | 96.1 | Very high | 94.8 | Very high | 102 Ų | 102 | 57 Ų | 57 | 47% | 0.472 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 176.9 | -76.1 | 92.6 | 0 | 0 | 0 | 111.4 | S184 V185 I186 R191 V192 | S184-H188 PolarHBondContact O-N 3.24Å; S184-H188 PolarHBondContact O-ND1 2.97Å; S184-H188 PolarHBondContact OG-CE1 3.04Å; S184-H188 PolarHBondContact OG-ND1 3.07Å; V185-H188 PolarHBondContact O-N 3.47Å; I186-H188 VanDerWaalsContact C-N 3.32Å; I186-H188 PolarHBondContact O-N 3.27Å; H188-R191 PolarHBondContact O-N 3.41Å; H188-V192 VanDerWaalsContact O-CG2 3.29Å; H188-V192 WeakPolarHBondContact O-CG2 3.41Å; H188-V192 PolarHBondContact O-N 3.41Å |
| 189 | L | 94.5 | Very high | 94.6 | Very high | 69 Ų | 69 | 62.3 Ų | 62.3 | 36% | 0.361 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 176.9 | -177.8 | 58.1 | 0 | 0 | 0 | 111.5 | V185 I186 R191 V192 R193 L256 | V185-L189 WeakPolarHBondContact O-CB 3.19Å; V185-L189 PolarHBondContact O-N 3.45Å; I186-L189 PolarHBondContact O-N 2.94Å; L189-R191 PolarHBondContact O-N 2.92Å; L189-V192 PolarHBondContact O-N 2.93Å; L189-R193 WeakPolarHBondContact O-CB 3.39Å; L189-R193 PolarHBondContact O-N 3.09Å; L189-L256 HydrophobicContact CD2-CD1 3.58Å; L189-L256 HydrophobicContact CD2-CD2 4.24Å; L189-L256 HydrophobicContact CG-CD1 3.95Å |
| 190 | L | 94.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 177 | -72.5 | 169.6 | 0 | 0 | 0 | 112.4 | F88 I186 R193 A194 A253 L256 K257 L260 | F88-L190 HydrophobicContact CD1-CB 3.51Å; F88-L190 HydrophobicContact CD1-CD1 4.39Å; F88-L190 HydrophobicContact CD2-CB 4.42Å; F88-L190 HydrophobicContact CD2-CD1 3.92Å; F88-L190 HydrophobicContact CE1-CB 3.66Å; F88-L190 HydrophobicContact CE1-CD1 4.16Å; F88-L190 HydrophobicContact CE2-CD1 3.69Å; F88-L190 HydrophobicContact CG-CB 3.92Å; F88-L190 HydrophobicContact CG-CD1 4.26Å; F88-L190 HydrophobicContact CZ-CB 4.19Å; F88-L190 HydrophobicContact CZ-CD1 3.8Å; I186-L190 HydrophobicContact CG2-CD1 3.88Å; I186-L190 HydrophobicContact CG2-CG 4.29Å; I186-L190 WeakPolarHBondContact O-CG 3.4Å; I186-L190 PolarHBondContact O-N 2.96Å; L190-R193 PolarHBondContact O-N 2.64Å; L190-A194 PolarHBondContact O-N 3.24Å; L190-A253 HydrophobicContact CD2-CB 3.96Å; L190-L256 HydrophobicContact CD2-CB 3.95Å; L190-L256 HydrophobicContact CD2-CD1 4.1Å; L190-L256 HydrophobicContact CG-CB 4.34Å; L190-K257 HydrophobicContact CD1-CG 3.85Å; L190-K257 HydrophobicContact CD2-CG 4.29Å; L190-L260 HydrophobicContact CD1-CD2 4.16Å |
| 191 | R | 94.3 | Very high | 94.1 | Very high | 124 Ų | 124 | 62.8 Ų | 62.8 | 47% | 0.468 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.5 | -38.3 | 175.8 | -71.1 | 177.5 | -160.7 | 138.3 | 2.8 | 113.2 | F88 S187 H188 L189 R195 | F88-R191 HydrophobicContact CD1-CG 4.13Å; F88-R191 HydrophobicContact CE1-CG 4Å; S187-R191 VanDerWaalsContact O-CG 3.3Å; S187-R191 WeakPolarHBondContact O-CG 3.39Å; S187-R191 PolarHBondContact O-N 3.19Å; H188-R191 PolarHBondContact O-N 3.41Å; L189-R191 PolarHBondContact O-N 2.92Å; R191-R195 WeakPolarHBondContact O-CG 3.36Å; R191-R195 PolarHBondContact O-N 3.3Å; R191-R195 PolarHBondContact O-NE 2.89Å |
| 192 | V | 94.6 | Very high | 93.8 | Very high | 67 Ų | 67 | 58.4 Ų | 58.4 | 41% | 0.406 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.1 | -48.4 | 174.8 | 171.1 | 0 | 0 | 0 | 0 | 109.1 | H188 L189 A194 R195 V196 | H188-V192 VanDerWaalsContact O-CG2 3.29Å; H188-V192 WeakPolarHBondContact O-CG2 3.41Å; H188-V192 PolarHBondContact O-N 3.41Å; L189-V192 PolarHBondContact O-N 2.93Å; V192-A194 PolarHBondContact O-N 2.81Å; V192-R195 VanDerWaalsContact CG2-NH2 3.31Å; V192-R195 PolarHBondContact O-N 3.01Å; V192-V196 HydrophobicContact CG1-CG2 4.39Å; V192-V196 WeakPolarHBondContact O-CG2 3.35Å; V192-V196 PolarHBondContact O-N 2.78Å |
| 193 | R | 92.4 | Very high | 93.6 | Very high | 10 Ų | 10 | 60.1 Ų | 60.1 | 4% | 0.038 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -53.2 | -53.5 | 175.8 | 180 | -159.2 | 164.5 | -94.8 | -11.7 | 111.8 | L189 L190 R195 V196 A197 E249 E250 A253 | L189-R193 WeakPolarHBondContact O-CB 3.39Å; L189-R193 PolarHBondContact O-N 3.09Å; L190-R193 PolarHBondContact O-N 2.64Å; R193-R195 VanDerWaalsContact C-N 3.26Å; R193-R195 PolarHBondContact O-N 2.86Å; R193-V196 CarbonylContact O-C 3.55Å; R193-V196 WeakPolarHBondContact O-CA 3.4Å; R193-V196 WeakPolarHBondContact O-CB 3.44Å; R193-V196 PolarHBondContact O-N 3.03Å; R193-A197 PolarHBondContact O-N 2.97Å; R193-E249 HydrophobicContact CG-CG 4.43Å; R193-E249 PolarHBondContact NE-O 3.5Å; R193-E249 VanDerWaalsContact NE-O 3.16Å; R193-E249 PolarHBondContact NH2-O 2.86Å; R193-E250 IonicContact CZ-OE2 3.1Å; R193-E250 IonicContact NH1-OE2 3.24Å; R193-E250 PolarHBondContact NH1-OE2 3.09Å; R193-E250 VanDerWaalsContact NH2-N 3.14Å; R193-E250 IonicContact NH2-OE2 3Å; R193-E250 PolarHBondContact NH2-OE2 3.39Å; R193-A253 VanDerWaalsContact CZ-CB 3.49Å |
| 194 | A | 92.1 | Very high | 93.3 | Very high | 10 Ų | 10 | 57.5 Ų | 57.5 | 8% | 0.083 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.4 | -42 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | W90 L190 V192 V196 A197 D198 | W90-A194 HydrophobicContact CB-CB 4.45Å; L190-A194 PolarHBondContact O-N 3.24Å; V192-A194 PolarHBondContact O-N 2.81Å; A194-V196 PolarHBondContact O-N 2.68Å; A194-A197 PolarHBondContact O-N 2.97Å; A194-D198 PolarHBondContact O-N 3.3Å |
| 195 | R | 93.2 | Very high | 92.9 | Very high | 166 Ų | 166 | 58 Ų | 58 | 63% | 0.626 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65.7 | -36.7 | 175.3 | -70.9 | -177.1 | -68.6 | 162.3 | -2.3 | 113.2 | R191 V192 R193 R199 | R191-R195 WeakPolarHBondContact O-CG 3.36Å; R191-R195 PolarHBondContact O-N 3.3Å; R191-R195 PolarHBondContact O-NE 2.89Å; V192-R195 VanDerWaalsContact CG2-NH2 3.31Å; V192-R195 PolarHBondContact O-N 3.01Å; R193-R195 VanDerWaalsContact C-N 3.26Å; R193-R195 PolarHBondContact O-N 2.86Å; R195-R199 WeakPolarHBondContact O-CB 3.46Å; R195-R199 PolarHBondContact O-N 3.49Å; R195-R199 VanDerWaalsContact O-N 3.11Å |
| 196 | V | 92.8 | Very high | 92.8 | Very high | 63 Ų | 63 | 57 Ų | 57 | 38% | 0.382 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67.7 | -44.7 | 175.5 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | V192 R193 A194 D198 R199 L200 | V192-V196 HydrophobicContact CG1-CG2 4.39Å; V192-V196 WeakPolarHBondContact O-CG2 3.35Å; V192-V196 PolarHBondContact O-N 2.78Å; R193-V196 CarbonylContact O-C 3.55Å; R193-V196 WeakPolarHBondContact O-CA 3.4Å; R193-V196 WeakPolarHBondContact O-CB 3.44Å; R193-V196 PolarHBondContact O-N 3.03Å; A194-V196 PolarHBondContact O-N 2.68Å; V196-D198 PolarHBondContact O-N 2.78Å; V196-R199 PolarHBondContact O-N 3.41Å; V196-R199 VanDerWaalsContact O-N 3.17Å; V196-L200 HydrophobicContact CG1-CD1 3.8Å; V196-L200 HydrophobicContact CG1-CG 4.16Å; V196-L200 WeakPolarHBondContact O-CB 3.16Å; V196-L200 WeakPolarHBondContact O-CG 3.26Å; V196-L200 PolarHBondContact O-N 3.21Å |
| 197 | A | 92.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.1 | -49 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | W90 R193 A194 R199 L200 Y201 L246 | W90-A197 HydrophobicContact CD2-CB 4.17Å; W90-A197 HydrophobicContact CG-CB 4.17Å; R193-A197 PolarHBondContact O-N 2.97Å; A194-A197 PolarHBondContact O-N 2.97Å; A197-R199 VanDerWaalsContact C-N 3.31Å; A197-R199 PolarHBondContact O-N 3.32Å; A197-L200 PolarHBondContact O-N 3.35Å; A197-Y201 VanDerWaalsContact O-CB 3.32Å; A197-Y201 WeakPolarHBondContact O-CB 3.07Å; A197-Y201 PolarHBondContact O-N 3.08Å; A197-L246 HydrophobicContact CB-CD2 3.79Å |
| 198 | D | 91 | Very high | 92.4 | Very high | 66 Ų | 66 | 58 Ų | 58 | 35% | 0.353 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.5 | -43.4 | 175.3 | -81.8 | -29.1 | 0 | 0 | 0 | 112.3 | W90 H91 A194 V196 G202 | W90-D198 WeakPolarHBondContact CB-OD1 3.06Å; H91-D198 WeakPolarHBondContact CB-OD1 3.44Å; H91-D198 PolarHBondContact N-OD1 2.89Å; A194-D198 PolarHBondContact O-N 3.3Å; V196-D198 PolarHBondContact O-N 2.78Å; D198-G202 PolarHBondContact O-N 3.49Å |
| 199 | R | 92.6 | Very high | 92.3 | Very high | 191 Ų | 191 | 57.1 Ų | 57.1 | 72% | 0.721 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -67.4 | -44.6 | -179.9 | -177 | 58.7 | 176.9 | 178.1 | 2.1 | 111.6 | R195 V196 A197 G202 V203 | R195-R199 WeakPolarHBondContact O-CB 3.46Å; R195-R199 PolarHBondContact O-N 3.49Å; R195-R199 VanDerWaalsContact O-N 3.11Å; V196-R199 PolarHBondContact O-N 3.41Å; V196-R199 VanDerWaalsContact O-N 3.17Å; A197-R199 VanDerWaalsContact C-N 3.31Å; A197-R199 PolarHBondContact O-N 3.32Å; R199-G202 PolarHBondContact O-N 3.47Å; R199-V203 WeakPolarHBondContact O-CG2 3.41Å; R199-V203 PolarHBondContact O-N 3.49Å |
| 200 | L | 90.3 | Very high | 92.2 | Very high | 42 Ų | 42 | 59.2 Ų | 59.2 | 22% | 0.22 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.9 | -47.8 | 177.2 | -73.3 | 174 | 0 | 0 | 0 | 110.3 | V196 A197 G202 V203 Y204 I242 | V196-L200 HydrophobicContact CG1-CD1 3.8Å; V196-L200 HydrophobicContact CG1-CG 4.16Å; V196-L200 WeakPolarHBondContact O-CB 3.16Å; V196-L200 WeakPolarHBondContact O-CG 3.26Å; V196-L200 PolarHBondContact O-N 3.21Å; A197-L200 PolarHBondContact O-N 3.35Å; L200-G202 VanDerWaalsContact C-N 3.3Å; L200-G202 PolarHBondContact O-N 3.37Å; L200-V203 PolarHBondContact O-N 2.86Å; L200-V203 VanDerWaalsContact O-N 3.09Å; L200-Y204 VanDerWaalsContact O-CD2 3.24Å; L200-Y204 WeakPolarHBondContact O-CD2 3.41Å; L200-Y204 PolarHBondContact O-N 3.42Å; L200-I242 HydrophobicContact CB-CD1 4Å |
| 201 | Y | 92.4 | Very high | 92.1 | Very high | 40 Ų | 40 | 59.2 Ų | 59.2 | 16% | 0.157 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -52.3 | -49.3 | 174.8 | -172.1 | -99 | 0 | 0 | 0 | 111.6 | W90 H91 K92 A197 V203 Y204 K205 I242 L246 | W90-Y201 HydrophobicContact CH2-CD2 4.06Å; W90-Y201 AromaticContact CZ3-CD2 3.72Å; W90-Y201 HydrophobicContact CZ3-CD2 3.72Å; W90-Y201 HydrophobicContact CZ3-CE2 4.35Å; W90-Y201 AromaticContact CZ3-CG 3.81Å; W90-Y201 HydrophobicContact CZ3-CG 3.81Å; H91-Y201 AromaticContact ND1-CE1 3.94Å; K92-Y201 HydrophobicContact CD-CE2 4.02Å; K92-Y201 HydrophobicContact CG-CE2 4.2Å; A197-Y201 VanDerWaalsContact O-CB 3.32Å; A197-Y201 WeakPolarHBondContact O-CB 3.07Å; A197-Y201 PolarHBondContact O-N 3.08Å; Y201-V203 PolarHBondContact O-N 3.44Å; Y201-Y204 PolarHBondContact O-N 2.84Å; Y201-K205 HydrophobicContact CD1-CG 4.13Å; Y201-K205 HydrophobicContact CE1-CG 3.79Å; Y201-K205 HydrophobicContact CE2-CD 4.36Å; Y201-K205 HydrophobicContact CE2-CG 4.28Å; Y201-K205 WeakPolarHBondContact O-CG 3.45Å; Y201-K205 PolarHBondContact O-N 2.96Å; Y201-K205 VanDerWaalsContact OH-CE 3.24Å; Y201-K205 WeakPolarHBondContact OH-CE 3.39Å; Y201-I242 HydrophobicContact CD2-CG1 4.47Å; Y201-I242 HydrophobicContact CD2-CG2 4.21Å; Y201-L246 HydrophobicContact CD2-CD1 4.12Å |
| 202 | G | 91.8 | Very high | 92.2 | Very high | 35 Ų | 35 | 60.1 Ų | 60.1 | 36% | 0.361 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.2 | -45.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D198 R199 L200 Y204 K205 V206 | D198-G202 PolarHBondContact O-N 3.49Å; R199-G202 PolarHBondContact O-N 3.47Å; L200-G202 VanDerWaalsContact C-N 3.3Å; L200-G202 PolarHBondContact O-N 3.37Å; G202-Y204 PolarHBondContact O-N 3.2Å; G202-K205 PolarHBondContact O-N 3.25Å; G202-V206 WeakPolarHBondContact O-CG2 3.37Å; G202-V206 PolarHBondContact O-N 3.28Å |
| 203 | V | 89.8 | Confident | 92.2 | Very high | 53 Ų | 53 | 60.2 Ų | 60.2 | 32% | 0.321 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 178.1 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | R199 L200 Y201 V206 H207 | R199-V203 WeakPolarHBondContact O-CG2 3.41Å; R199-V203 PolarHBondContact O-N 3.49Å; L200-V203 PolarHBondContact O-N 2.86Å; L200-V203 VanDerWaalsContact O-N 3.09Å; Y201-V203 PolarHBondContact O-N 3.44Å; V203-V206 WeakPolarHBondContact O-CB 3.42Å; V203-V206 PolarHBondContact O-N 3.27Å; V203-H207 PolarHBondContact O-N 2.93Å; V203-H207 PolarHBondContact O-ND1 3.09Å |
| 204 | Y | 90 | Very high | 92.3 | Very high | 11 Ų | 11 | 61.6 Ų | 61.6 | 4% | 0.043 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.4 | -41.3 | -178.2 | -85.9 | -109.3 | 0 | 0 | 0 | 112 | L200 Y201 G202 V206 H207 G208 Y238 A239 S241 I242 | L200-Y204 VanDerWaalsContact O-CD2 3.24Å; L200-Y204 WeakPolarHBondContact O-CD2 3.41Å; L200-Y204 PolarHBondContact O-N 3.42Å; Y201-Y204 PolarHBondContact O-N 2.84Å; G202-Y204 PolarHBondContact O-N 3.2Å; Y204-V206 VanDerWaalsContact C-N 3.27Å; Y204-V206 PolarHBondContact O-N 3.33Å; Y204-H207 WeakPolarHBondContact O-CB 3.46Å; Y204-H207 PolarHBondContact O-N 3.29Å; Y204-G208 PolarHBondContact O-N 3.07Å; Y204-Y238 HydrophobicContact CD1-CD1 4.14Å; Y204-Y238 HydrophobicContact CD1-CD2 4.48Å; Y204-Y238 HydrophobicContact CD1-CE1 4.12Å; Y204-Y238 HydrophobicContact CD1-CE2 4.46Å; Y204-Y238 HydrophobicContact CD1-CG 4.33Å; Y204-Y238 WeakPolarHBondContact CD1-O 3.29Å; Y204-Y238 HydrophobicContact CD2-CE1 4.46Å; Y204-Y238 HydrophobicContact CE1-CD1 4.18Å; Y204-Y238 AromaticContact CE1-CD2 3.82Å; Y204-Y238 HydrophobicContact CE1-CD2 3.82Å; Y204-Y238 AromaticContact CE1-CE1 3.96Å; Y204-Y238 HydrophobicContact CE1-CE1 3.96Å; Y204-Y238 AromaticContact CE1-CE2 3.58Å; Y204-Y238 HydrophobicContact CE1-CE2 3.58Å; Y204-Y238 HydrophobicContact CE1-CG 4.13Å; Y204-Y238 AromaticContact CE1-CZ 3.66Å; Y204-Y238 WeakPolarHBondContact CE1-O 3.46Å; Y204-Y238 HydrophobicContact CE2-CE1 4.32Å; Y204-Y238 AromaticContact CE2-CZ 3.98Å; Y204-Y238 HydrophobicContact CG-CE1 4.4Å; Y204-Y238 AromaticContact CZ-CE2 3.67Å; Y204-Y238 AromaticContact CZ-CZ 3.5Å; Y204-Y238 VanDerWaalsContact CZ-CZ 3.5Å; Y204-Y238 PolarHBondContact OH-OH 3.43Å; Y204-A239 WeakPolarHBondContact O-CB 3.28Å; Y204-S241 WeakPolarHBondContact CE1-OG 3.44Å; Y204-I242 HydrophobicContact CD1-CB 3.54Å; Y204-I242 HydrophobicContact CD1-CD1 4.4Å; Y204-I242 HydrophobicContact CD1-CG1 4.23Å; Y204-I242 HydrophobicContact CD1-CG2 4.33Å; Y204-I242 HydrophobicContact CD2-CB 4.31Å; Y204-I242 HydrophobicContact CD2-CD1 3.86Å; Y204-I242 HydrophobicContact CD2-CG1 4.11Å; Y204-I242 HydrophobicContact CE1-CB 4.14Å; Y204-I242 HydrophobicContact CE1-CD1 4.49Å; Y204-I242 HydrophobicContact CE2-CD1 3.95Å; Y204-I242 HydrophobicContact CG-CB 3.61Å; Y204-I242 HydrophobicContact CG-CD1 4.07Å; Y204-I242 HydrophobicContact CG-CG1 3.86Å; Y204-I242 HydrophobicContact CG-CG2 4.3Å |
| 205 | K | 89.6 | Confident | 92.4 | Very high | 65 Ų | 65 | 62.6 Ų | 62.6 | 28% | 0.283 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.4 | -27.6 | 176.9 | -63.2 | -50 | 178.8 | -165.5 | 0 | 113.1 | Y201 G202 H207 G208 N209 D243 | Y201-K205 HydrophobicContact CD1-CG 4.13Å; Y201-K205 HydrophobicContact CE1-CG 3.79Å; Y201-K205 HydrophobicContact CE2-CD 4.36Å; Y201-K205 HydrophobicContact CE2-CG 4.28Å; Y201-K205 WeakPolarHBondContact O-CG 3.45Å; Y201-K205 PolarHBondContact O-N 2.96Å; Y201-K205 VanDerWaalsContact OH-CE 3.24Å; Y201-K205 WeakPolarHBondContact OH-CE 3.39Å; G202-K205 PolarHBondContact O-N 3.25Å; K205-H207 VanDerWaalsContact C-N 3.3Å; K205-H207 PolarHBondContact O-N 2.57Å; K205-G208 PolarHBondContact O-N 2.83Å; K205-N209 PolarHBondContact O-N 3.29Å; K205-D243 IonicContact NZ-OD1 3.96Å; K205-D243 IonicContact NZ-OD2 3.59Å; K205-D243 PolarHBondContact NZ-OD2 2.94Å |
| 206 | V | 92.8 | Very high | 92.5 | Very high | 63 Ų | 63 | 60.3 Ų | 60.3 | 38% | 0.382 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.9 | -38.5 | 168.9 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | G202 V203 Y204 G208 N209 Y210 | G202-V206 WeakPolarHBondContact O-CG2 3.37Å; G202-V206 PolarHBondContact O-N 3.28Å; V203-V206 WeakPolarHBondContact O-CB 3.42Å; V203-V206 PolarHBondContact O-N 3.27Å; Y204-V206 VanDerWaalsContact C-N 3.27Å; Y204-V206 PolarHBondContact O-N 3.33Å; V206-G208 VanDerWaalsContact C-N 3.32Å; V206-G208 PolarHBondContact O-N 3.14Å; V206-N209 WeakPolarHBondContact O-CB 3.39Å; V206-N209 PolarHBondContact O-N 2.7Å; V206-N209 VanDerWaalsContact O-N 3.12Å; V206-Y210 HydrophobicContact CG1-CD2 4.47Å; V206-Y210 HydrophobicContact CG1-CE1 4.33Å; V206-Y210 HydrophobicContact CG1-CE2 3.78Å; V206-Y210 PolarHBondContact O-N 2.67Å |
| 207 | H | 90.5 | Very high | 92.6 | Very high | 22 Ų | 22 | 62.7 Ų | 62.7 | 10% | 0.102 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.4 | -34 | 177.2 | -67.6 | 69.3 | 0 | 0 | 0 | 111.6 | V203 Y204 K205 N209 Y210 G211 M235 Y238 W392 | V203-H207 PolarHBondContact O-N 2.93Å; V203-H207 PolarHBondContact O-ND1 3.09Å; Y204-H207 WeakPolarHBondContact O-CB 3.46Å; Y204-H207 PolarHBondContact O-N 3.29Å; K205-H207 VanDerWaalsContact C-N 3.3Å; K205-H207 PolarHBondContact O-N 2.57Å; H207-N209 PolarHBondContact O-N 2.92Å; H207-Y210 CarbonylContact O-C 3.28Å; H207-Y210 WeakPolarHBondContact O-CA 3.37Å; H207-Y210 WeakPolarHBondContact O-CB 3.14Å; H207-Y210 PolarHBondContact O-N 2.82Å; H207-G211 PolarHBondContact O-N 3.47Å; H207-M235 HydrophobicContact CB-SD 4.35Å; H207-M235 VanDerWaalsContact CD2-SD 3.6Å; H207-M235 WeakPolarHBondContact O-CB 3.46Å; H207-Y238 HydrophobicContact CB-CD1 3.91Å; H207-Y238 AromaticContact CD2-CD1 3.7Å; H207-Y238 AromaticContact CD2-CE1 3.95Å; H207-Y238 AromaticContact CG-CD1 3.68Å; H207-W392 AromaticContact NE2-CH2 3.49Å; H207-W392 WeakPolarHBondContact NE2-CH2 3.16Å; H207-W392 AromaticContact NE2-CZ2 3.43Å; H207-W392 WeakPolarHBondContact NE2-CZ2 3.25Å |
| 208 | G | 92.6 | Very high | 92.8 | Very high | 18 Ų | 18 | 63.4 Ų | 63.4 | 19% | 0.186 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.9 | -33.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y204 K205 V206 G211 R212 A239 | Y204-G208 PolarHBondContact O-N 3.07Å; K205-G208 PolarHBondContact O-N 2.83Å; V206-G208 VanDerWaalsContact C-N 3.32Å; V206-G208 PolarHBondContact O-N 3.14Å; G208-G211 PolarHBondContact O-N 2.82Å; G208-R212 PolarHBondContact O-N 2.94Å; G208-R212 VanDerWaalsContact O-N 3.09Å; G208-A239 VanDerWaalsContact N-CB 3.33Å |
| 209 | N | 94.3 | Very high | 92.9 | Very high | 83 Ų | 83 | 64.3 Ų | 64.3 | 44% | 0.444 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68 | -37 | 172.3 | -67.5 | -34.2 | 0 | 0 | 0 | 112.3 | K205 V206 H207 G211 R212 V213 | K205-N209 PolarHBondContact O-N 3.29Å; V206-N209 WeakPolarHBondContact O-CB 3.39Å; V206-N209 PolarHBondContact O-N 2.7Å; V206-N209 VanDerWaalsContact O-N 3.12Å; H207-N209 PolarHBondContact O-N 2.92Å; N209-G211 VanDerWaalsContact C-N 3.34Å; N209-R212 PolarHBondContact O-N 3.31Å; N209-V213 VanDerWaalsContact O-CG2 3.31Å; N209-V213 WeakPolarHBondContact O-CG2 3.05Å; N209-V213 PolarHBondContact O-N 2.98Å |
| 210 | Y | 92.2 | Very high | 93.1 | Very high | 114 Ų | 114 | 61.7 Ų | 61.7 | 45% | 0.447 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 172 | -60.8 | -33.2 | 0 | 0 | 0 | 111.6 | V206 H207 R212 V213 F214 | V206-Y210 HydrophobicContact CG1-CD2 4.47Å; V206-Y210 HydrophobicContact CG1-CE1 4.33Å; V206-Y210 HydrophobicContact CG1-CE2 3.78Å; V206-Y210 PolarHBondContact O-N 2.67Å; H207-Y210 CarbonylContact O-C 3.28Å; H207-Y210 WeakPolarHBondContact O-CA 3.37Å; H207-Y210 WeakPolarHBondContact O-CB 3.14Å; H207-Y210 PolarHBondContact O-N 2.82Å; Y210-R212 PolarHBondContact O-N 3.24Å; Y210-V213 PolarHBondContact O-N 3Å; Y210-F214 WeakPolarHBondContact O-CB 3.31Å; Y210-F214 WeakPolarHBondContact O-CD2 3.3Å; Y210-F214 VanDerWaalsContact O-CG 3.25Å; Y210-F214 WeakPolarHBondContact O-CG 3.5Å; Y210-F214 PolarHBondContact O-N 3.2Å |
| 211 | G | 93.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -54.4 | -50.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | H207 G208 N209 S215 G232 D236 | H207-G211 PolarHBondContact O-N 3.47Å; G208-G211 PolarHBondContact O-N 2.82Å; N209-G211 VanDerWaalsContact C-N 3.34Å; G211-S215 WeakPolarHBondContact O-CB 3.43Å; G211-S215 PolarHBondContact O-N 3.28Å; G211-S215 PolarHBondContact O-OG 3.17Å; G211-G232 VanDerWaalsContact CA-O 3.27Å; G211-G232 WeakPolarHBondContact CA-O 3.4Å; G211-D236 WeakPolarHBondContact CA-OD1 3.35Å |
| 212 | R | 95.2 | Very high | 93 | Very high | 144 Ų | 144 | 69.9 Ų | 69.9 | 54% | 0.543 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.4 | -52 | 173.2 | -173.8 | -178.7 | 67.5 | -177.4 | 0.4 | 112.6 | G208 N209 Y210 F214 S215 E216 | G208-R212 PolarHBondContact O-N 2.94Å; G208-R212 VanDerWaalsContact O-N 3.09Å; N209-R212 PolarHBondContact O-N 3.31Å; Y210-R212 PolarHBondContact O-N 3.24Å; R212-F214 PolarHBondContact O-N 3.08Å; R212-S215 PolarHBondContact O-N 3.49Å; R212-E216 HydrophobicContact CG-CG 4.44Å; R212-E216 WeakPolarHBondContact CG-OE1 3.38Å; R212-E216 WeakPolarHBondContact O-CG 3.45Å; R212-E216 PolarHBondContact O-N 3.38Å |
| 213 | V | 95.8 | Very high | 92.9 | Very high | 69 Ų | 69 | 76.9 Ų | 76.9 | 42% | 0.418 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | -176.5 | 168.5 | 0 | 0 | 0 | 0 | 111.8 | N209 Y210 E216 W217 | N209-V213 VanDerWaalsContact O-CG2 3.31Å; N209-V213 WeakPolarHBondContact O-CG2 3.05Å; N209-V213 PolarHBondContact O-N 2.98Å; Y210-V213 PolarHBondContact O-N 3Å; V213-E216 PolarHBondContact O-N 2.99Å; V213-W217 WeakPolarHBondContact O-CB 3.49Å; V213-W217 PolarHBondContact O-N 3.33Å |
| 214 | F | 93.7 | Very high | 92.8 | Very high | 39 Ų | 39 | 77.4 Ų | 77.4 | 17% | 0.171 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.9 | -36.8 | 177.5 | -65.4 | -26.8 | 0 | 0 | 0 | 112.3 | Y210 R212 W217 S218 L228 A231 M235 F399 | Y210-F214 WeakPolarHBondContact O-CB 3.31Å; Y210-F214 WeakPolarHBondContact O-CD2 3.3Å; Y210-F214 VanDerWaalsContact O-CG 3.25Å; Y210-F214 WeakPolarHBondContact O-CG 3.5Å; Y210-F214 PolarHBondContact O-N 3.2Å; R212-F214 PolarHBondContact O-N 3.08Å; F214-W217 PolarHBondContact O-N 3.31Å; F214-S218 WeakPolarHBondContact O-CB 3.39Å; F214-S218 PolarHBondContact O-N 3.41Å; F214-L228 WeakPolarHBondContact CB-O 3.1Å; F214-L228 HydrophobicContact CD1-CD2 4.26Å; F214-A231 HydrophobicContact CD2-CB 4.14Å; F214-M235 HydrophobicContact CD2-CG 4.21Å; F214-M235 HydrophobicContact CE2-CG 4.12Å; F214-F399 AromaticContact CE2-CZ 3.91Å; F214-F399 HydrophobicContact CE2-CZ 3.91Å; F214-F399 HydrophobicContact CZ-CZ 4.29Å |
| 215 | S | 94.1 | Very high | 92.8 | Very high | 31 Ų | 31 | 77.4 Ų | 77.4 | 22% | 0.217 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -70.5 | -30.9 | 175.2 | -57.4 | 0 | 0 | 0 | 0 | 113.1 | G211 R212 S218 Q229 | G211-S215 WeakPolarHBondContact O-CB 3.43Å; G211-S215 PolarHBondContact O-N 3.28Å; G211-S215 PolarHBondContact O-OG 3.17Å; R212-S215 PolarHBondContact O-N 3.49Å; S215-S218 PolarHBondContact O-OG 3.47Å; S215-Q229 PolarHBondContact OG-NE2 3.27Å |
| 216 | E | 96.1 | Very high | 92.8 | Very high | 118 Ų | 118 | 81.4 Ų | 81.4 | 55% | 0.551 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -75.5 | -38.9 | 173.7 | -72.7 | 173.3 | -173.9 | 0 | 0 | 111.2 | R212 V213 A219 | R212-E216 HydrophobicContact CG-CG 4.44Å; R212-E216 WeakPolarHBondContact CG-OE1 3.38Å; R212-E216 WeakPolarHBondContact O-CG 3.45Å; R212-E216 PolarHBondContact O-N 3.38Å; V213-E216 PolarHBondContact O-N 2.99Å; E216-A219 PolarHBondContact O-N 2.86Å |
| 217 | W | 95.3 | Very high | 92.5 | Very high | 112 Ų | 112 | 79.2 Ų | 79.2 | 42% | 0.424 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.8 | -38.2 | 176.5 | -173.5 | 7.6 | 0 | 0 | 0 | 111.9 | V213 F214 A219 I220 E221 L228 | V213-W217 WeakPolarHBondContact O-CB 3.49Å; V213-W217 PolarHBondContact O-N 3.33Å; F214-W217 PolarHBondContact O-N 3.31Å; W217-A219 PolarHBondContact O-N 2.91Å; W217-A219 VanDerWaalsContact O-N 3.11Å; W217-I220 WeakPolarHBondContact O-CG1 3.33Å; W217-I220 PolarHBondContact O-N 2.87Å; W217-I220 VanDerWaalsContact O-N 3.07Å; W217-E221 PolarHBondContact NE1-OE2 3.46Å; W217-E221 WeakPolarHBondContact O-CB 3.28Å; W217-E221 PolarHBondContact O-N 2.9Å; W217-L228 HydrophobicContact CB-CD1 4.29Å; W217-L228 HydrophobicContact CD2-CD1 3.66Å; W217-L228 HydrophobicContact CD2-CD2 4.37Å; W217-L228 HydrophobicContact CE3-CD1 4.1Å; W217-L228 HydrophobicContact CE3-CD2 3.94Å; W217-L228 HydrophobicContact CG-CD1 3.76Å; W217-L228 HydrophobicContact CZ3-CD2 4.17Å |
| 218 | S | 94.9 | Very high | 92.5 | Very high | 15 Ų | 15 | 78.3 Ų | 78.3 | 11% | 0.105 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -55.1 | -32.8 | 177.1 | 67.1 | 0 | 0 | 0 | 0 | 112.9 | F214 S215 I220 G225 Q229 | F214-S218 WeakPolarHBondContact O-CB 3.39Å; F214-S218 PolarHBondContact O-N 3.41Å; S215-S218 PolarHBondContact O-OG 3.47Å; S218-I220 VanDerWaalsContact C-N 3.32Å; S218-I220 PolarHBondContact O-N 2.99Å; S218-G225 WeakPolarHBondContact CB-O 3.39Å; S218-Q229 PolarHBondContact OG-OE1 3.47Å |
| 219 | A | 94.6 | Very high | 92.5 | Very high | 85 Ų | 85 | 81.4 Ų | 81.4 | 70% | 0.702 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -22.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E216 W217 | E216-A219 PolarHBondContact O-N 2.86Å; W217-A219 PolarHBondContact O-N 2.91Å; W217-A219 VanDerWaalsContact O-N 3.11Å |
| 220 | I | 95.8 | Very high | 92.2 | Very high | 136 Ų | 136 | 79.6 Ų | 79.6 | 70% | 0.697 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | -19.5 | -180 | 61.4 | 171.5 | 0 | 0 | 0 | 112.8 | W217 S218 | W217-I220 WeakPolarHBondContact O-CG1 3.33Å; W217-I220 PolarHBondContact O-N 2.87Å; W217-I220 VanDerWaalsContact O-N 3.07Å; S218-I220 VanDerWaalsContact C-N 3.32Å; S218-I220 PolarHBondContact O-N 2.99Å |
| 221 | E | 93 | Very high | 92 | Very high | 58 Ų | 58 | 74.2 Ų | 74.2 | 27% | 0.271 | 38% | 0.377 | S | S | . | . | trans | -80.4 | 137.7 | -178.3 | -173.9 | 46.6 | -112.5 | 0 | 0 | 111.6 | W217 E223 M224 L228 | W217-E221 PolarHBondContact NE1-OE2 3.46Å; W217-E221 WeakPolarHBondContact O-CB 3.28Å; W217-E221 PolarHBondContact O-N 2.9Å; E221-E223 PolarHBondContact OE1-N 3.09Å; E221-M224 HydrophobicContact CG-CB 4.47Å; E221-M224 HydrophobicContact CG-CG 3.4Å; E221-L228 HydrophobicContact CB-CD1 3.93Å; E221-L228 HydrophobicContact CG-CD1 3.87Å | ||
| 222 | K | 88.7 | Confident | 91.9 | Very high | 197 Ų | 197 | 74.2 Ų | 74.2 | 86% | 0.857 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -98.8 | -33.9 | -171.6 | -66.6 | -176.6 | -178.4 | 177.8 | 0 | 113.5 | ||
| 223 | E | 88.3 | Confident | 91.7 | Very high | 181 Ų | 181 | 72.5 Ų | 72.5 | 85% | 0.846 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -98.6 | -38 | -171.5 | -65.7 | -173.5 | 170.7 | 0 | 0 | 112.3 | E221 | E221-E223 PolarHBondContact OE1-N 3.09Š|
| 224 | M | 88.1 | Confident | 91.4 | Very high | 65 Ų | 65 | 70.8 Ų | 70.8 | 32% | 0.32 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -117.3 | 18.2 | -174.6 | 64.2 | -177 | 71.7 | 0 | 0 | 113.9 | E221 D226 G227 L228 M402 | E221-M224 HydrophobicContact CG-CB 4.47Å; E221-M224 HydrophobicContact CG-CG 3.4Å; M224-D226 PolarHBondContact O-N 2.94Å; M224-G227 PolarHBondContact O-N 3.4Å; M224-L228 HydrophobicContact CG-CD1 3.89Å; M224-L228 HydrophobicContact CG-CG 4.16Å; M224-L228 PolarHBondContact O-N 2.97Å; M224-L228 HydrophobicContact SD-CD1 4.41Å; M224-M402 HydrophobicContact CB-CE 4.41Å; M224-M402 HydrophobicContact CB-CG 4.43Å; M224-M402 HydrophobicContact CG-CE 4.43Å; M224-M402 HydrophobicContact SD-CE 3.83Å |
| 225 | G | 90.1 | Very high | 91.2 | Very high | 10 Ų | 10 | 69.5 Ų | 69.5 | 10% | 0.103 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -54.2 | -50.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | S218 G227 L228 Q229 | S218-G225 WeakPolarHBondContact CB-O 3.39Å; G225-G227 VanDerWaalsContact C-N 3.31Å; G225-G227 PolarHBondContact O-N 3.3Å; G225-L228 PolarHBondContact O-N 3.32Å; G225-Q229 PolarHBondContact O-N 2.98Å |
| 226 | D | 88.9 | Confident | 91.1 | Very high | 150 Ų | 150 | 71 Ų | 71 | 80% | 0.802 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62 | -38.5 | -179.9 | -69.1 | -18.4 | 0 | 0 | 0 | 112.6 | M224 Q229 S230 | M224-D226 PolarHBondContact O-N 2.94Å; D226-Q229 PolarHBondContact O-N 3.46Å; D226-S230 WeakPolarHBondContact O-CB 3.4Å; D226-S230 PolarHBondContact O-N 2.91Å |
| 227 | G | 87.8 | Confident | 90.8 | Very high | 16 Ų | 16 | 68.6 Ų | 68.6 | 17% | 0.165 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.4 | -41.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | M224 G225 S230 A231 M402 | M224-G227 PolarHBondContact O-N 3.4Å; G225-G227 VanDerWaalsContact C-N 3.31Å; G225-G227 PolarHBondContact O-N 3.3Å; G227-S230 PolarHBondContact O-N 3.41Å; G227-A231 WeakPolarHBondContact O-CB 3.16Å; G227-A231 PolarHBondContact O-N 3.46Å; G227-M402 VanDerWaalsContact C-SD 3.51Å |
| 228 | L | 89.8 | Confident | 90.4 | Very high | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.016 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63 | -41.8 | 172.6 | -73.2 | 172.4 | 0 | 0 | 0 | 111.6 | F214 W217 E221 M224 G225 S230 A231 G232 M402 | F214-L228 WeakPolarHBondContact CB-O 3.1Å; F214-L228 HydrophobicContact CD1-CD2 4.26Å; W217-L228 HydrophobicContact CB-CD1 4.29Å; W217-L228 HydrophobicContact CD2-CD1 3.66Å; W217-L228 HydrophobicContact CD2-CD2 4.37Å; W217-L228 HydrophobicContact CE3-CD1 4.1Å; W217-L228 HydrophobicContact CE3-CD2 3.94Å; W217-L228 HydrophobicContact CG-CD1 3.76Å; W217-L228 HydrophobicContact CZ3-CD2 4.17Å; E221-L228 HydrophobicContact CB-CD1 3.93Å; E221-L228 HydrophobicContact CG-CD1 3.87Å; M224-L228 HydrophobicContact CG-CD1 3.89Å; M224-L228 HydrophobicContact CG-CG 4.16Å; M224-L228 PolarHBondContact O-N 2.97Å; M224-L228 HydrophobicContact SD-CD1 4.41Å; G225-L228 PolarHBondContact O-N 3.32Å; L228-S230 PolarHBondContact O-N 2.82Å; L228-A231 PolarHBondContact O-N 3.39Å; L228-G232 PolarHBondContact O-N 2.79Å; L228-M402 HydrophobicContact CD2-CE 3.78Å; L228-M402 HydrophobicContact CD2-SD 4.43Å; L228-M402 HydrophobicContact CG-CE 4.08Å |
| 229 | Q | 91.9 | Very high | 90.2 | Very high | 83 Ų | 83 | 64.1 Ų | 64.1 | 39% | 0.388 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 177.2 | -174 | 57.2 | 50.5 | 0 | 0 | 111.7 | S215 S218 G225 D226 G232 H233 | S215-Q229 PolarHBondContact OG-NE2 3.27Å; S218-Q229 PolarHBondContact OG-OE1 3.47Å; G225-Q229 PolarHBondContact O-N 2.98Å; D226-Q229 PolarHBondContact O-N 3.46Å; Q229-G232 PolarHBondContact O-N 2.95Å; Q229-H233 PolarHBondContact O-N 3.27Å |
| 230 | S | 89.6 | Confident | 90 | Very high | 46 Ų | 46 | 62.9 Ų | 62.9 | 32% | 0.322 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 176.4 | -165.5 | 0 | 0 | 0 | 0 | 111.8 | D226 G227 L228 G232 H233 H234 C398 | D226-S230 WeakPolarHBondContact O-CB 3.4Å; D226-S230 PolarHBondContact O-N 2.91Å; G227-S230 PolarHBondContact O-N 3.41Å; L228-S230 PolarHBondContact O-N 2.82Å; S230-G232 VanDerWaalsContact C-N 3.33Å; S230-G232 PolarHBondContact O-N 2.99Å; S230-H233 PolarHBondContact O-N 2.97Å; S230-H234 PolarHBondContact O-CD2 2.93Å; S230-H234 PolarHBondContact O-N 2.84Å; S230-H234 VanDerWaalsContact O-N 3.08Å; S230-C398 PolarHBondContact OG-SG 2.78Å |
| 231 | A | 87.9 | Confident | 89.6 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F214 G227 L228 H234 M235 F399 | F214-A231 HydrophobicContact CD2-CB 4.14Å; G227-A231 WeakPolarHBondContact O-CB 3.16Å; G227-A231 PolarHBondContact O-N 3.46Å; L228-A231 PolarHBondContact O-N 3.39Å; A231-H234 PolarHBondContact O-N 3.45Å; A231-M235 VanDerWaalsContact O-CG 3.3Å; A231-M235 WeakPolarHBondContact O-CG 3.5Å; A231-M235 PolarHBondContact O-N 3.19Å; A231-M235 VanDerWaalsContact O-N 3.08Å; A231-F399 HydrophobicContact CB-CD1 4.39Å; A231-F399 HydrophobicContact CB-CE1 3.65Å; A231-F399 HydrophobicContact CB-CE2 4.14Å; A231-F399 HydrophobicContact CB-CZ 3.51Å |
| 232 | G | 91.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.4 | -50 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | G211 L228 Q229 S230 H234 M235 D236 | G211-G232 VanDerWaalsContact CA-O 3.27Å; G211-G232 WeakPolarHBondContact CA-O 3.4Å; L228-G232 PolarHBondContact O-N 2.79Å; Q229-G232 PolarHBondContact O-N 2.95Å; S230-G232 VanDerWaalsContact C-N 3.33Å; S230-G232 PolarHBondContact O-N 2.99Å; G232-H234 VanDerWaalsContact C-N 3.33Å; G232-H234 PolarHBondContact O-N 3.31Å; G232-M235 PolarHBondContact O-N 2.65Å; G232-M235 VanDerWaalsContact O-N 3.11Å; G232-D236 PolarHBondContact O-N 2.92Å |
| 233 | H | 91.3 | Very high | 89.4 | Confident | 108 Ų | 108 | 47.7 Ų | 47.7 | 50% | 0.5 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.4 | -43.2 | 176.2 | -179.6 | 64.9 | 0 | 0 | 0 | 112.7 | Q229 S230 M235 D236 V237 | Q229-H233 PolarHBondContact O-N 3.27Å; S230-H233 PolarHBondContact O-N 2.97Å; H233-M235 VanDerWaalsContact C-N 3.32Å; H233-M235 PolarHBondContact O-N 3.39Å; H233-D236 PolarHBondContact O-N 3.2Å; H233-V237 WeakPolarHBondContact O-CG2 3.41Å; H233-V237 PolarHBondContact O-N 3.07Å |
| 234 | H | 88.4 | Confident | 89.4 | Confident | 33 Ų | 33 | 43.4 Ų | 43.4 | 15% | 0.153 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.2 | -37.1 | 177 | -75.1 | -52.2 | 0 | 0 | 0 | 113.2 | S230 A231 G232 Y238 A395 C398 | S230-H234 PolarHBondContact O-CD2 2.93Å; S230-H234 PolarHBondContact O-N 2.84Å; S230-H234 VanDerWaalsContact O-N 3.08Å; A231-H234 PolarHBondContact O-N 3.45Å; G232-H234 VanDerWaalsContact C-N 3.33Å; G232-H234 PolarHBondContact O-N 3.31Å; H234-Y238 WeakPolarHBondContact O-CB 3.35Å; H234-Y238 PolarHBondContact O-N 3.21Å; H234-A395 HydrophobicContact CB-CB 4.47Å; H234-C398 PolarHBondContact CD2-SG 3.43Å; H234-C398 PolarHBondContact NE2-SG 2.87Å |
| 235 | M | 90.4 | Very high | 89.4 | Confident | 12 Ų | 12 | 40.6 Ų | 40.6 | 6% | 0.059 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.6 | -37.1 | 177.1 | -64.5 | -63.3 | 162.7 | 0 | 0 | 112 | H207 F214 A231 G232 H233 Y238 A239 W392 A395 F399 | H207-M235 HydrophobicContact CB-SD 4.35Å; H207-M235 VanDerWaalsContact CD2-SD 3.6Å; H207-M235 WeakPolarHBondContact O-CB 3.46Å; F214-M235 HydrophobicContact CD2-CG 4.21Å; F214-M235 HydrophobicContact CE2-CG 4.12Å; A231-M235 VanDerWaalsContact O-CG 3.3Å; A231-M235 WeakPolarHBondContact O-CG 3.5Å; A231-M235 PolarHBondContact O-N 3.19Å; A231-M235 VanDerWaalsContact O-N 3.08Å; G232-M235 PolarHBondContact O-N 2.65Å; G232-M235 VanDerWaalsContact O-N 3.11Å; H233-M235 VanDerWaalsContact C-N 3.32Å; H233-M235 PolarHBondContact O-N 3.39Å; M235-Y238 PolarHBondContact O-N 3.07Å; M235-A239 WeakPolarHBondContact O-CB 3.46Å; M235-A239 PolarHBondContact O-N 3.45Å; M235-W392 HydrophobicContact CE-CZ3 4.38Å; M235-A395 HydrophobicContact CE-CB 4.36Å; M235-F399 HydrophobicContact CE-CE2 4.01Å; M235-F399 HydrophobicContact CE-CZ 4.35Å |
| 236 | D | 91.2 | Very high | 89.4 | Confident | 64 Ų | 64 | 40.2 Ų | 40.2 | 34% | 0.342 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.4 | -45.5 | 173.7 | -72.3 | -29 | 0 | 0 | 0 | 111.9 | G211 G232 H233 Y238 A239 A240 | G211-D236 WeakPolarHBondContact CA-OD1 3.35Å; G232-D236 PolarHBondContact O-N 2.92Å; H233-D236 PolarHBondContact O-N 3.2Å; D236-Y238 VanDerWaalsContact C-N 3.3Å; D236-Y238 PolarHBondContact O-N 2.87Å; D236-A239 PolarHBondContact O-N 2.76Å; D236-A240 WeakPolarHBondContact O-CB 3.46Å; D236-A240 PolarHBondContact O-N 2.86Å |
| 237 | V | 88.6 | Confident | 89.4 | Confident | 67 Ų | 67 | 39 Ų | 39 | 41% | 0.406 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60 | -42.7 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | H233 A240 S241 | H233-V237 WeakPolarHBondContact O-CG2 3.41Å; H233-V237 PolarHBondContact O-N 3.07Å; V237-A240 PolarHBondContact O-N 3.06Å; V237-S241 PolarHBondContact O-N 3.08Å |
| 238 | Y | 87.4 | Confident | 89.3 | Confident | 26 Ų | 26 | 42.2 Ų | 42.2 | 10% | 0.102 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.3 | -53.8 | 174.5 | -167.3 | -125 | 0 | 0 | 0 | 110.4 | Y204 H207 H234 M235 D236 A240 S241 V391 W392 | Y204-Y238 HydrophobicContact CD1-CD1 4.14Å; Y204-Y238 HydrophobicContact CD1-CD2 4.48Å; Y204-Y238 HydrophobicContact CD1-CE1 4.12Å; Y204-Y238 HydrophobicContact CD1-CE2 4.46Å; Y204-Y238 HydrophobicContact CD1-CG 4.33Å; Y204-Y238 WeakPolarHBondContact CD1-O 3.29Å; Y204-Y238 HydrophobicContact CD2-CE1 4.46Å; Y204-Y238 HydrophobicContact CE1-CD1 4.18Å; Y204-Y238 AromaticContact CE1-CD2 3.82Å; Y204-Y238 HydrophobicContact CE1-CD2 3.82Å; Y204-Y238 AromaticContact CE1-CE1 3.96Å; Y204-Y238 HydrophobicContact CE1-CE1 3.96Å; Y204-Y238 AromaticContact CE1-CE2 3.58Å; Y204-Y238 HydrophobicContact CE1-CE2 3.58Å; Y204-Y238 HydrophobicContact CE1-CG 4.13Å; Y204-Y238 AromaticContact CE1-CZ 3.66Å; Y204-Y238 WeakPolarHBondContact CE1-O 3.46Å; Y204-Y238 HydrophobicContact CE2-CE1 4.32Å; Y204-Y238 AromaticContact CE2-CZ 3.98Å; Y204-Y238 HydrophobicContact CG-CE1 4.4Å; Y204-Y238 AromaticContact CZ-CE2 3.67Å; Y204-Y238 AromaticContact CZ-CZ 3.5Å; Y204-Y238 VanDerWaalsContact CZ-CZ 3.5Å; Y204-Y238 PolarHBondContact OH-OH 3.43Å; H207-Y238 HydrophobicContact CB-CD1 3.91Å; H207-Y238 AromaticContact CD2-CD1 3.7Å; H207-Y238 AromaticContact CD2-CE1 3.95Å; H207-Y238 AromaticContact CG-CD1 3.68Å; H234-Y238 WeakPolarHBondContact O-CB 3.35Å; H234-Y238 PolarHBondContact O-N 3.21Å; M235-Y238 PolarHBondContact O-N 3.07Å; D236-Y238 VanDerWaalsContact C-N 3.3Å; D236-Y238 PolarHBondContact O-N 2.87Å; Y238-A240 VanDerWaalsContact C-N 3.28Å; Y238-A240 PolarHBondContact O-N 2.87Å; Y238-S241 PolarHBondContact O-N 3.08Å; Y238-S241 VanDerWaalsContact O-N 3.1Å; Y238-S241 PolarHBondContact O-OG 2.81Å; Y238-V391 HydrophobicContact CD2-CB 4.08Å; Y238-V391 HydrophobicContact CD2-CG1 3.64Å; Y238-V391 HydrophobicContact CD2-CG2 4.35Å; Y238-V391 HydrophobicContact CG-CG1 3.96Å; Y238-W392 HydrophobicContact CE1-CZ2 4.34Å; Y238-W392 AromaticContact CZ-NE1 3.74Å |
| 239 | A | 91.4 | Very high | 89.3 | Confident | 7 Ų | 7 | 42.1 Ų | 42.1 | 6% | 0.058 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.4 | -30.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y204 G208 M235 D236 I242 | Y204-A239 WeakPolarHBondContact O-CB 3.28Å; G208-A239 VanDerWaalsContact N-CB 3.33Å; M235-A239 WeakPolarHBondContact O-CB 3.46Å; M235-A239 PolarHBondContact O-N 3.45Å; D236-A239 PolarHBondContact O-N 2.76Å; A239-I242 VanDerWaalsContact O-CG2 3.25Å; A239-I242 WeakPolarHBondContact O-CG2 3.47Å |
| 240 | A | 89.7 | Confident | 89.2 | Confident | 58 Ų | 58 | 38.6 Ų | 38.6 | 48% | 0.479 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -72.5 | -35.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D236 V237 Y238 I242 D243 | D236-A240 WeakPolarHBondContact O-CB 3.46Å; D236-A240 PolarHBondContact O-N 2.86Å; V237-A240 PolarHBondContact O-N 3.06Å; Y238-A240 VanDerWaalsContact C-N 3.28Å; Y238-A240 PolarHBondContact O-N 2.87Å; A240-I242 PolarHBondContact O-N 2.84Å; A240-I242 VanDerWaalsContact O-N 3.09Å; A240-D243 PolarHBondContact O-N 2.84Å |
| 241 | S | 88.2 | Confident | 89.1 | Confident | 29 Ų | 29 | 41.4 Ų | 41.4 | 20% | 0.203 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.2 | -18.5 | -174.5 | 70 | 0 | 0 | 0 | 0 | 115.2 | Y204 V237 Y238 D243 I245 | Y204-S241 WeakPolarHBondContact CE1-OG 3.44Å; V237-S241 PolarHBondContact O-N 3.08Å; Y238-S241 PolarHBondContact O-N 3.08Å; Y238-S241 VanDerWaalsContact O-N 3.1Å; Y238-S241 PolarHBondContact O-OG 2.81Å; S241-D243 PolarHBondContact O-N 2.98Å; S241-I245 VanDerWaalsContact O-CD1 3.31Å; S241-I245 WeakPolarHBondContact O-CD1 3.02Å; S241-I245 VanDerWaalsContact O-CG1 3.32Å; S241-I245 WeakPolarHBondContact O-CG1 3.48Å; S241-I245 PolarHBondContact O-N 3.02Å |
| 242 | I | 89.4 | Confident | 89.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.8 | -28.5 | -179.6 | -165.9 | 50.6 | 0 | 0 | 0 | 113.2 | L200 Y201 Y204 A239 A240 I245 L246 | L200-I242 HydrophobicContact CB-CD1 4Å; Y201-I242 HydrophobicContact CD2-CG1 4.47Å; Y201-I242 HydrophobicContact CD2-CG2 4.21Å; Y204-I242 HydrophobicContact CD1-CB 3.54Å; Y204-I242 HydrophobicContact CD1-CD1 4.4Å; Y204-I242 HydrophobicContact CD1-CG1 4.23Å; Y204-I242 HydrophobicContact CD1-CG2 4.33Å; Y204-I242 HydrophobicContact CD2-CB 4.31Å; Y204-I242 HydrophobicContact CD2-CD1 3.86Å; Y204-I242 HydrophobicContact CD2-CG1 4.11Å; Y204-I242 HydrophobicContact CE1-CB 4.14Å; Y204-I242 HydrophobicContact CE1-CD1 4.49Å; Y204-I242 HydrophobicContact CE2-CD1 3.95Å; Y204-I242 HydrophobicContact CG-CB 3.61Å; Y204-I242 HydrophobicContact CG-CD1 4.07Å; Y204-I242 HydrophobicContact CG-CG1 3.86Å; Y204-I242 HydrophobicContact CG-CG2 4.3Å; A239-I242 VanDerWaalsContact O-CG2 3.25Å; A239-I242 WeakPolarHBondContact O-CG2 3.47Å; A240-I242 PolarHBondContact O-N 2.84Å; A240-I242 VanDerWaalsContact O-N 3.09Å; I242-I245 PolarHBondContact O-N 2.92Å; I242-L246 HydrophobicContact CD1-CD1 3.9Å; I242-L246 HydrophobicContact CD1-CD2 4.17Å; I242-L246 HydrophobicContact CD1-CG 3.74Å; I242-L246 HydrophobicContact CG1-CD1 3.69Å; I242-L246 HydrophobicContact CG1-CG 3.97Å; I242-L246 WeakPolarHBondContact O-CB 3.33Å; I242-L246 VanDerWaalsContact O-CG 3.29Å; I242-L246 WeakPolarHBondContact O-CG 3.47Å; I242-L246 PolarHBondContact O-N 2.93Å |
| 243 | D | 88.6 | Confident | 89.1 | Confident | 43 Ų | 43 | 42 Ų | 42 | 23% | 0.23 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.1 | -49.3 | -174.2 | -68 | -31.5 | 0 | 0 | 0 | 109.9 | K92 K205 A240 S241 I245 L246 E247 | K92-D243 WeakPolarHBondContact CE-OD1 3.3Å; K92-D243 IonicContact NZ-OD1 3.96Å; K92-D243 PolarHBondContact NZ-OD1 3.01Å; K92-D243 IonicContact NZ-OD2 3.39Å; K92-D243 PolarHBondContact NZ-OD2 2.94Å; K92-D243 VanDerWaalsContact NZ-OD2 3.1Å; K205-D243 IonicContact NZ-OD1 3.96Å; K205-D243 IonicContact NZ-OD2 3.59Å; K205-D243 PolarHBondContact NZ-OD2 2.94Å; A240-D243 PolarHBondContact O-N 2.84Å; S241-D243 PolarHBondContact O-N 2.98Å; D243-I245 VanDerWaalsContact C-N 3.33Å; D243-I245 PolarHBondContact O-N 3.08Å; D243-L246 PolarHBondContact O-N 2.95Å; D243-E247 WeakPolarHBondContact O-CB 3.32Å; D243-E247 PolarHBondContact O-N 2.99Å |
| 244 | D | 87.8 | Confident | 89.1 | Confident | 92 Ų | 92 | 38.8 Ų | 38.8 | 49% | 0.492 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.3 | -41.3 | 174.2 | -55.7 | -14 | 0 | 0 | 0 | 112.1 | E247 E248 | D244-E247 PolarHBondContact O-N 3.39Å; D244-E248 WeakPolarHBondContact O-CG 3.39Å; D244-E248 PolarHBondContact O-N 3.29Å |
| 245 | I | 87.7 | Confident | 89.2 | Confident | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.5 | -46.7 | 179.9 | -70.7 | 161.5 | 0 | 0 | 0 | 111 | S241 I242 D243 E247 E248 E249 M384 | S241-I245 VanDerWaalsContact O-CD1 3.31Å; S241-I245 WeakPolarHBondContact O-CD1 3.02Å; S241-I245 VanDerWaalsContact O-CG1 3.32Å; S241-I245 WeakPolarHBondContact O-CG1 3.48Å; S241-I245 PolarHBondContact O-N 3.02Å; I242-I245 PolarHBondContact O-N 2.92Å; D243-I245 VanDerWaalsContact C-N 3.33Å; D243-I245 PolarHBondContact O-N 3.08Å; I245-E247 VanDerWaalsContact C-N 3.31Å; I245-E248 PolarHBondContact O-N 3.18Å; I245-E249 WeakPolarHBondContact O-CB 3.27Å; I245-E249 PolarHBondContact O-N 3.49Å; I245-M384 HydrophobicContact CD1-CG 3.77Å; I245-M384 HydrophobicContact CD1-SD 4.35Å; I245-M384 HydrophobicContact CG1-CG 4.28Å; I245-M384 HydrophobicContact CG2-CG 4.11Å; I245-M384 HydrophobicContact CG2-SD 3.56Å; I245-M384 VanDerWaalsContact CG2-SD 3.56Å |
| 246 | L | 90.1 | Very high | 89.4 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -73.8 | -26.6 | -177.9 | -66 | -179.1 | 0 | 0 | 0 | 111.9 | W90 A197 Y201 I242 D243 E250 | W90-L246 HydrophobicContact CE3-CD1 4.39Å; W90-L246 HydrophobicContact CH2-CB 3.93Å; W90-L246 HydrophobicContact CH2-CD1 3.23Å; W90-L246 HydrophobicContact CH2-CG 4.2Å; W90-L246 HydrophobicContact CZ2-CB 3.66Å; W90-L246 HydrophobicContact CZ2-CD1 3.74Å; W90-L246 HydrophobicContact CZ2-CG 4.29Å; W90-L246 HydrophobicContact CZ3-CD1 3.61Å; A197-L246 HydrophobicContact CB-CD2 3.79Å; Y201-L246 HydrophobicContact CD2-CD1 4.12Å; I242-L246 HydrophobicContact CD1-CD1 3.9Å; I242-L246 HydrophobicContact CD1-CD2 4.17Å; I242-L246 HydrophobicContact CD1-CG 3.74Å; I242-L246 HydrophobicContact CG1-CD1 3.69Å; I242-L246 HydrophobicContact CG1-CG 3.97Å; I242-L246 WeakPolarHBondContact O-CB 3.33Å; I242-L246 VanDerWaalsContact O-CG 3.29Å; I242-L246 WeakPolarHBondContact O-CG 3.47Å; I242-L246 PolarHBondContact O-N 2.93Å; D243-L246 PolarHBondContact O-N 2.95Å; L246-E250 PolarHBondContact O-N 3.41Å |
| 247 | E | 88.3 | Confident | 89.5 | Confident | 124 Ų | 124 | 38.2 Ų | 38.2 | 58% | 0.579 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -67.6 | -48.9 | 170.1 | -172.8 | 175.6 | -178.4 | 0 | 0 | 111.6 | D243 D244 I245 E249 E250 H251 | D243-E247 WeakPolarHBondContact O-CB 3.32Å; D243-E247 PolarHBondContact O-N 2.99Å; D244-E247 PolarHBondContact O-N 3.39Å; I245-E247 VanDerWaalsContact C-N 3.31Å; E247-E249 VanDerWaalsContact C-N 3.26Å; E247-E249 PolarHBondContact O-N 3.44Å; E247-E250 PolarHBondContact O-N 2.97Å; E247-E250 VanDerWaalsContact O-N 3.08Å; E247-H251 PolarHBondContact O-N 3Å; E247-H251 PolarHBondContact O-ND1 2.85Å |
| 248 | E | 87.3 | Confident | 89.7 | Confident | 85 Ų | 85 | 36.6 Ų | 36.6 | 40% | 0.397 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -56.3 | -41.9 | 171.8 | -74.1 | 178.9 | -160 | 0 | 0 | 111.1 | D244 I245 E250 H251 M380 | D244-E248 WeakPolarHBondContact O-CG 3.39Å; D244-E248 PolarHBondContact O-N 3.29Å; I245-E248 PolarHBondContact O-N 3.18Å; E248-E250 VanDerWaalsContact C-N 3.28Å; E248-E250 PolarHBondContact O-N 3.21Å; E248-H251 WeakPolarHBondContact O-CB 3.48Å; E248-H251 PolarHBondContact O-N 3.42Å; E248-M380 HydrophobicContact CB-CG 4.31Å; E248-M380 HydrophobicContact CB-SD 3.98Å |
| 249 | E | 89.1 | Confident | 90.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.8 | -23.9 | 179.1 | -174.3 | 169.1 | -157.6 | 0 | 0 | 112.7 | R193 I245 E247 Y252 A253 Y377 M380 | R193-E249 HydrophobicContact CG-CG 4.43Å; R193-E249 PolarHBondContact NE-O 3.5Å; R193-E249 VanDerWaalsContact NE-O 3.16Å; R193-E249 PolarHBondContact NH2-O 2.86Å; I245-E249 WeakPolarHBondContact O-CB 3.27Å; I245-E249 PolarHBondContact O-N 3.49Å; E247-E249 VanDerWaalsContact C-N 3.26Å; E247-E249 PolarHBondContact O-N 3.44Å; E249-Y252 PolarHBondContact O-N 3.07Å; E249-A253 PolarHBondContact O-N 3.29Å; E249-Y377 HydrophobicContact CG-CE2 4.1Å; E249-Y377 WeakPolarHBondContact OE1-CE2 3.47Å; E249-Y377 PolarHBondContact OE1-OH 3.33Å; E249-Y377 VanDerWaalsContact OE1-OH 3.1Å; E249-M380 VanDerWaalsContact CA-SD 3.55Å; E249-M380 HydrophobicContact CB-CE 3.75Å; E249-M380 HydrophobicContact CB-SD 3.84Å; E249-M380 HydrophobicContact CG-CE 3.84Å; E249-M380 HydrophobicContact CG-SD 4.5Å |
| 250 | E | 89.2 | Confident | 90.3 | Very high | 10 Ų | 10 | 35.8 Ų | 35.8 | 5% | 0.047 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.9 | -35.1 | 175.9 | -165.6 | 62.2 | -154.3 | 0 | 0 | 112 | R193 L246 E247 E248 Y252 A253 D254 K257 | R193-E250 IonicContact CZ-OE2 3.1Å; R193-E250 IonicContact NH1-OE2 3.24Å; R193-E250 PolarHBondContact NH1-OE2 3.09Å; R193-E250 VanDerWaalsContact NH2-N 3.14Å; R193-E250 IonicContact NH2-OE2 3Å; R193-E250 PolarHBondContact NH2-OE2 3.39Å; L246-E250 PolarHBondContact O-N 3.41Å; E247-E250 PolarHBondContact O-N 2.97Å; E247-E250 VanDerWaalsContact O-N 3.08Å; E248-E250 VanDerWaalsContact C-N 3.28Å; E248-E250 PolarHBondContact O-N 3.21Å; E250-Y252 PolarHBondContact O-N 2.85Å; E250-A253 WeakPolarHBondContact O-CA 3.37Å; E250-A253 VanDerWaalsContact O-CB 3.28Å; E250-A253 WeakPolarHBondContact O-CB 3.38Å; E250-A253 PolarHBondContact O-N 3.16Å; E250-D254 PolarHBondContact O-N 2.86Å; E250-K257 IonicContact OE1-NZ 3.2Å; E250-K257 PolarHBondContact OE1-NZ 3.07Å |
| 251 | H | 87.8 | Confident | 90.5 | Very high | 104 Ų | 104 | 35.2 Ų | 35.2 | 48% | 0.481 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -58.1 | -40.1 | 173.3 | -66.9 | 81.6 | 0 | 0 | 0 | 111.6 | E247 E248 D254 Q255 | E247-H251 PolarHBondContact O-N 3Å; E247-H251 PolarHBondContact O-ND1 2.85Å; E248-H251 WeakPolarHBondContact O-CB 3.48Å; E248-H251 PolarHBondContact O-N 3.42Å; H251-D254 PolarHBondContact O-N 3.26Å; H251-Q255 PolarHBondContact O-N 3.26Å |
| 252 | Y | 88.1 | Confident | 90.9 | Very high | 14 Ų | 14 | 34 Ų | 34 | 6% | 0.055 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.4 | -39.9 | 172.7 | 168.9 | -106.3 | 0 | 0 | 0 | 112.4 | E249 E250 D254 Q255 L256 A373 L374 Y377 | E249-Y252 PolarHBondContact O-N 3.07Å; E250-Y252 PolarHBondContact O-N 2.85Å; Y252-D254 VanDerWaalsContact C-N 3.3Å; Y252-D254 PolarHBondContact O-N 3.4Å; Y252-Q255 PolarHBondContact O-N 2.9Å; Y252-L256 HydrophobicContact CD1-CD1 4.22Å; Y252-L256 HydrophobicContact CE1-CD1 3.5Å; Y252-L256 HydrophobicContact CE1-CG 4.21Å; Y252-L256 HydrophobicContact CE2-CD1 4.31Å; Y252-L256 HydrophobicContact CE2-CD2 4.37Å; Y252-L256 HydrophobicContact CE2-CG 4.19Å; Y252-L256 PolarHBondContact O-N 3.13Å; Y252-A373 HydrophobicContact CD2-CB 4.15Å; Y252-A373 WeakPolarHBondContact CD2-O 3.45Å; Y252-A373 HydrophobicContact CE2-CB 4.03Å; Y252-A373 WeakPolarHBondContact CE2-O 3.34Å; Y252-L374 WeakPolarHBondContact OH-CD2 3.45Å; Y252-Y377 AromaticContact CD1-CD2 3.36Å; Y252-Y377 HydrophobicContact CD1-CD2 3.36Å; Y252-Y377 AromaticContact CD1-CE2 3.84Å; Y252-Y377 HydrophobicContact CD1-CE2 3.84Å; Y252-Y377 HydrophobicContact CD1-CG 4.05Å; Y252-Y377 HydrophobicContact CD2-CD2 4.2Å; Y252-Y377 HydrophobicContact CD2-CG 4.28Å; Y252-Y377 AromaticContact CE1-CD2 3.55Å; Y252-Y377 HydrophobicContact CE1-CD2 3.55Å; Y252-Y377 AromaticContact CE1-CE2 3.93Å; Y252-Y377 HydrophobicContact CE1-CE2 3.93Å; Y252-Y377 AromaticContact CE1-CG 3.87Å; Y252-Y377 HydrophobicContact CE1-CG 3.87Å; Y252-Y377 HydrophobicContact CE2-CD2 4.37Å; Y252-Y377 HydrophobicContact CE2-CG 4.12Å; Y252-Y377 AromaticContact CG-CD2 3.69Å; Y252-Y377 HydrophobicContact CG-CD2 3.69Å; Y252-Y377 HydrophobicContact CG-CG 4.23Å; Y252-Y377 AromaticContact CZ-CG 3.89Å |
| 253 | A | 91.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.2 | -40.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | L190 R193 E249 E250 Q255 L256 K257 | L190-A253 HydrophobicContact CD2-CB 3.96Å; R193-A253 VanDerWaalsContact CZ-CB 3.49Å; E249-A253 PolarHBondContact O-N 3.29Å; E250-A253 WeakPolarHBondContact O-CA 3.37Å; E250-A253 VanDerWaalsContact O-CB 3.28Å; E250-A253 WeakPolarHBondContact O-CB 3.38Å; E250-A253 PolarHBondContact O-N 3.16Å; A253-Q255 VanDerWaalsContact C-N 3.34Å; A253-Q255 PolarHBondContact O-N 2.89Å; A253-L256 WeakPolarHBondContact O-CB 3.14Å; A253-L256 PolarHBondContact O-N 3.36Å; A253-L256 VanDerWaalsContact O-N 3.14Å; A253-K257 WeakPolarHBondContact O-CG 3.3Å; A253-K257 PolarHBondContact O-N 3.38Å |
| 254 | D | 90.7 | Very high | 91.5 | Very high | 39 Ų | 39 | 35.3 Ų | 35.3 | 21% | 0.209 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.2 | -37.5 | 179.8 | -69.5 | -26.1 | 0 | 0 | 0 | 112 | R105 E250 H251 Y252 L256 K257 E258 | R105-D254 WeakPolarHBondContact CD-OD2 3.26Å; R105-D254 VanDerWaalsContact CG-OD2 3.31Å; R105-D254 WeakPolarHBondContact CG-OD2 3.48Å; E250-D254 PolarHBondContact O-N 2.86Å; H251-D254 PolarHBondContact O-N 3.26Å; Y252-D254 VanDerWaalsContact C-N 3.3Å; Y252-D254 PolarHBondContact O-N 3.4Å; D254-L256 VanDerWaalsContact C-N 3.33Å; D254-L256 PolarHBondContact O-N 3.15Å; D254-K257 PolarHBondContact O-N 3.25Å; D254-K257 IonicContact OD1-NZ 2.66Å; D254-K257 PolarHBondContact OD1-NZ 2.62Å; D254-E258 PolarHBondContact O-N 3.44Å |
| 255 | Q | 91 | Very high | 91.9 | Very high | 84 Ų | 84 | 31 Ų | 31 | 39% | 0.393 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -60.6 | -41.4 | 170.8 | -67.5 | 178 | -23.1 | 0 | 0 | 112.1 | H251 Y252 A253 E258 Y259 A373 | H251-Q255 PolarHBondContact O-N 3.26Å; Y252-Q255 PolarHBondContact O-N 2.9Å; A253-Q255 VanDerWaalsContact C-N 3.34Å; A253-Q255 PolarHBondContact O-N 2.89Å; Q255-E258 WeakPolarHBondContact O-CB 3.48Å; Q255-E258 PolarHBondContact O-N 2.73Å; Q255-Y259 WeakPolarHBondContact O-CD2 3.29Å; Q255-A373 HydrophobicContact CB-CB 4.28Å |
| 256 | L | 93.6 | Very high | 92.4 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.6 | -41.1 | 175.2 | -69.6 | -178.4 | 0 | 0 | 0 | 112.2 | I186 L189 L190 Y252 A253 D254 E258 Y259 L260 L370 | I186-L256 HydrophobicContact CG2-CB 4.1Å; I186-L256 WeakPolarHBondContact CG2-O 3.41Å; L189-L256 HydrophobicContact CD2-CD1 3.58Å; L189-L256 HydrophobicContact CD2-CD2 4.24Å; L189-L256 HydrophobicContact CG-CD1 3.95Å; L190-L256 HydrophobicContact CD2-CB 3.95Å; L190-L256 HydrophobicContact CD2-CD1 4.1Å; L190-L256 HydrophobicContact CG-CB 4.34Å; Y252-L256 HydrophobicContact CD1-CD1 4.22Å; Y252-L256 HydrophobicContact CE1-CD1 3.5Å; Y252-L256 HydrophobicContact CE1-CG 4.21Å; Y252-L256 HydrophobicContact CE2-CD1 4.31Å; Y252-L256 HydrophobicContact CE2-CD2 4.37Å; Y252-L256 HydrophobicContact CE2-CG 4.19Å; Y252-L256 PolarHBondContact O-N 3.13Å; A253-L256 WeakPolarHBondContact O-CB 3.14Å; A253-L256 PolarHBondContact O-N 3.36Å; A253-L256 VanDerWaalsContact O-N 3.14Å; D254-L256 VanDerWaalsContact C-N 3.33Å; D254-L256 PolarHBondContact O-N 3.15Å; L256-E258 VanDerWaalsContact C-N 3.28Å; L256-E258 PolarHBondContact O-N 2.99Å; L256-Y259 PolarHBondContact O-N 3.49Å; L256-Y259 VanDerWaalsContact O-N 3.13Å; L256-L260 PolarHBondContact O-N 3.39Å; L256-L370 HydrophobicContact CD2-CD2 4.09Å |
| 257 | K | 93.7 | Very high | 92.6 | Very high | 9 Ų | 9 | 31.9 Ų | 31.9 | 4% | 0.039 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.5 | -37.3 | 176.8 | -70.8 | 173.5 | -158.2 | 160.7 | 0 | 111.2 | E83 F88 L190 E250 A253 D254 Y259 L260 F261 | E83-K257 IonicContact OE1-NZ 2.82Å; E83-K257 PolarHBondContact OE1-NZ 3.49Å; F88-K257 HydrophobicContact CD2-CG 4.45Å; L190-K257 HydrophobicContact CD1-CG 3.85Å; L190-K257 HydrophobicContact CD2-CG 4.29Å; E250-K257 IonicContact OE1-NZ 3.2Å; E250-K257 PolarHBondContact OE1-NZ 3.07Å; A253-K257 WeakPolarHBondContact O-CG 3.3Å; A253-K257 PolarHBondContact O-N 3.38Å; D254-K257 PolarHBondContact O-N 3.25Å; D254-K257 IonicContact OD1-NZ 2.66Å; D254-K257 PolarHBondContact OD1-NZ 2.62Å; K257-Y259 VanDerWaalsContact C-N 3.3Å; K257-Y259 PolarHBondContact O-N 3.11Å; K257-L260 VanDerWaalsContact O-CB 3.3Å; K257-L260 WeakPolarHBondContact O-CB 3.33Å; K257-L260 PolarHBondContact O-N 3.38Å; K257-F261 HydrophobicContact CB-CE2 4.17Å; K257-F261 WeakPolarHBondContact O-CD2 3.48Å; K257-F261 WeakPolarHBondContact O-CG 3.39Å; K257-F261 PolarHBondContact O-N 3.45Å; K257-F261 VanDerWaalsContact O-N 3.07Å |
| 258 | E | 93.8 | Very high | 92.9 | Very high | 33 Ų | 33 | 27.5 Ų | 27.5 | 15% | 0.154 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -53.6 | -49.7 | 173.1 | -167.4 | -170.2 | 176.2 | 0 | 0 | 110.7 | P80 R116 D254 Q255 L256 F261 Y262 | P80-E258 HydrophobicContact CG-CG 4.42Å; R116-E258 IonicContact CZ-OE1 3.46Å; R116-E258 IonicContact CZ-OE2 3.99Å; R116-E258 IonicContact NE-OE1 3.78Å; R116-E258 PolarHBondContact NE-OE1 3.05Å; R116-E258 IonicContact NE-OE2 3.95Å; R116-E258 IonicContact NH2-OE1 3.41Å; R116-E258 PolarHBondContact NH2-OE1 3.1Å; R116-E258 IonicContact NH2-OE2 3.58Å; R116-E258 PolarHBondContact NH2-OE2 3.2Å; D254-E258 PolarHBondContact O-N 3.44Å; Q255-E258 WeakPolarHBondContact O-CB 3.48Å; Q255-E258 PolarHBondContact O-N 2.73Å; L256-E258 VanDerWaalsContact C-N 3.28Å; L256-E258 PolarHBondContact O-N 2.99Å; E258-F261 PolarHBondContact O-N 3.37Å; E258-F261 VanDerWaalsContact O-N 3.15Å; E258-Y262 HydrophobicContact CG-CD2 4.05Å; E258-Y262 HydrophobicContact CG-CE2 3.73Å; E258-Y262 WeakPolarHBondContact O-CD2 3.24Å; E258-Y262 PolarHBondContact O-N 3.37Å; E258-Y262 WeakPolarHBondContact OE1-CE2 3.48Å |
| 259 | Y | 94.7 | Very high | 93.4 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.016 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -73.7 | -26.5 | -179.8 | -78.6 | -70.5 | 0 | 0 | 0 | 114.7 | Q255 L256 K257 F261 Y262 A263 F362 K366 D369 L370 | Q255-Y259 WeakPolarHBondContact O-CD2 3.29Å; L256-Y259 PolarHBondContact O-N 3.49Å; L256-Y259 VanDerWaalsContact O-N 3.13Å; K257-Y259 VanDerWaalsContact C-N 3.3Å; K257-Y259 PolarHBondContact O-N 3.11Å; Y259-F261 VanDerWaalsContact C-N 3.28Å; Y259-F261 PolarHBondContact O-N 3.22Å; Y259-Y262 AromaticContact CD1-CD2 3.91Å; Y259-Y262 HydrophobicContact CD1-CD2 3.91Å; Y259-Y262 HydrophobicContact CD1-CG 4.46Å; Y259-Y262 AromaticContact CE1-CD2 3.99Å; Y259-Y262 HydrophobicContact CE1-CD2 3.99Å; Y259-Y262 HydrophobicContact CE1-CE2 4.38Å; Y259-Y262 PolarHBondContact O-N 3.37Å; Y259-A263 PolarHBondContact O-N 3.41Å; Y259-F362 HydrophobicContact CD1-CZ 4.46Å; Y259-F362 HydrophobicContact CE1-CE2 4.21Å; Y259-F362 HydrophobicContact CE1-CZ 4.36Å; Y259-K366 HydrophobicContact CD1-CB 4.2Å; Y259-K366 HydrophobicContact CD1-CG 3.56Å; Y259-K366 HydrophobicContact CE1-CB 3.56Å; Y259-K366 HydrophobicContact CE1-CG 3.46Å; Y259-K366 VanDerWaalsContact CE1-CG 3.46Å; Y259-K366 WeakPolarHBondContact OH-CA 3.37Å; Y259-D369 HydrophobicContact CE2-CB 3.6Å; Y259-D369 VanDerWaalsContact OH-CB 3.25Å; Y259-D369 WeakPolarHBondContact OH-CB 3.5Å; Y259-D369 VanDerWaalsContact OH-CG 3.23Å; Y259-D369 PolarHBondContact OH-OD2 3.21Å; Y259-L370 HydrophobicContact CD2-CD2 3.5Å; Y259-L370 HydrophobicContact CD2-CG 3.94Å; Y259-L370 HydrophobicContact CE2-CD2 4.21Å; Y259-L370 HydrophobicContact CE2-CG 4.27Å; Y259-L370 HydrophobicContact CG-CD1 4.42Å; Y259-L370 HydrophobicContact CG-CD2 3.78Å; Y259-L370 HydrophobicContact CG-CG 4.07Å |
| 260 | L | 95.3 | Very high | 93.7 | Very high | 12 Ų | 12 | 23.6 Ų | 23.6 | 6% | 0.063 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.7 | -44.5 | 166 | -179.6 | 71.7 | 0 | 0 | 0 | 110.6 | F88 Q183 I186 S187 L190 L256 K257 A263 | F88-L260 HydrophobicContact CE2-CD2 3.49Å; F88-L260 VanDerWaalsContact CE2-CD2 3.49Å; F88-L260 HydrophobicContact CZ-CD2 3.72Å; Q183-L260 HydrophobicContact CB-CD1 4.39Å; Q183-L260 HydrophobicContact CG-CD1 3.59Å; Q183-L260 WeakPolarHBondContact O-CD1 3.44Å; I186-L260 HydrophobicContact CB-CD1 4.27Å; I186-L260 HydrophobicContact CG2-CB 3.83Å; I186-L260 HydrophobicContact CG2-CD1 4.22Å; S187-L260 WeakPolarHBondContact OG-CD1 3.41Å; L190-L260 HydrophobicContact CD1-CD2 4.16Å; L256-L260 PolarHBondContact O-N 3.39Å; K257-L260 VanDerWaalsContact O-CB 3.3Å; K257-L260 WeakPolarHBondContact O-CB 3.33Å; K257-L260 PolarHBondContact O-N 3.38Å; L260-A263 VanDerWaalsContact O-CB 3.3Å; L260-A263 WeakPolarHBondContact O-CB 2.98Å; L260-A263 PolarHBondContact O-N 3.37Å |
| 261 | F | 95.1 | Very high | 93.9 | Very high | 47 Ų | 47 | 27.3 Ų | 27.3 | 21% | 0.206 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -77.9 | -28 | -179.3 | -60.2 | -51.1 | 0 | 0 | 0 | 113.4 | P80 E83 K257 E258 Y259 A263 E264 A265 | P80-F261 HydrophobicContact CB-CB 3.32Å; P80-F261 HydrophobicContact CB-CG 4.42Å; P80-F261 HydrophobicContact CG-CB 3.73Å; E83-F261 HydrophobicContact CB-CE2 4Å; E83-F261 HydrophobicContact CB-CZ 3.68Å; K257-F261 HydrophobicContact CB-CE2 4.17Å; K257-F261 WeakPolarHBondContact O-CD2 3.48Å; K257-F261 WeakPolarHBondContact O-CG 3.39Å; K257-F261 PolarHBondContact O-N 3.45Å; K257-F261 VanDerWaalsContact O-N 3.07Å; E258-F261 PolarHBondContact O-N 3.37Å; E258-F261 VanDerWaalsContact O-N 3.15Å; Y259-F261 VanDerWaalsContact C-N 3.28Å; Y259-F261 PolarHBondContact O-N 3.22Å; F261-A263 PolarHBondContact O-N 3.05Å; F261-E264 WeakPolarHBondContact O-CB 3.48Å; F261-E264 PolarHBondContact O-N 3.06Å; F261-A265 PolarHBondContact O-N 3.01Å |
| 262 | Y | 96.7 | Very high | 94.2 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.016 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.9 | -25.3 | 169.8 | -88.1 | -70.4 | 0 | 0 | 0 | 112.9 | V77 P80 E258 Y259 E264 A265 L266 F362 | V77-Y262 HydrophobicContact CG1-CD1 3.87Å; V77-Y262 HydrophobicContact CG1-CE1 4.32Å; P80-Y262 HydrophobicContact CG-CD1 4.32Å; P80-Y262 HydrophobicContact CG-CD2 3.83Å; P80-Y262 HydrophobicContact CG-CE1 4.47Å; P80-Y262 HydrophobicContact CG-CE2 3.98Å; P80-Y262 HydrophobicContact CG-CG 4Å; E258-Y262 HydrophobicContact CG-CD2 4.05Å; E258-Y262 HydrophobicContact CG-CE2 3.73Å; E258-Y262 WeakPolarHBondContact O-CD2 3.24Å; E258-Y262 PolarHBondContact O-N 3.37Å; E258-Y262 WeakPolarHBondContact OE1-CE2 3.48Å; Y259-Y262 AromaticContact CD1-CD2 3.91Å; Y259-Y262 HydrophobicContact CD1-CD2 3.91Å; Y259-Y262 HydrophobicContact CD1-CG 4.46Å; Y259-Y262 AromaticContact CE1-CD2 3.99Å; Y259-Y262 HydrophobicContact CE1-CD2 3.99Å; Y259-Y262 HydrophobicContact CE1-CE2 4.38Å; Y259-Y262 PolarHBondContact O-N 3.37Å; Y262-E264 VanDerWaalsContact C-N 3.27Å; Y262-E264 PolarHBondContact O-N 3.02Å; Y262-A265 HydrophobicContact CD1-CB 4.25Å; Y262-A265 WeakPolarHBondContact O-CB 3.46Å; Y262-A265 PolarHBondContact O-N 3.16Å; Y262-A265 VanDerWaalsContact O-N 3.07Å; Y262-L266 PolarHBondContact O-N 2.8Å; Y262-F362 HydrophobicContact CD1-CD2 4.07Å; Y262-F362 AromaticContact CD1-CE2 3.37Å; Y262-F362 HydrophobicContact CD1-CE2 3.37Å; Y262-F362 HydrophobicContact CD1-CZ 4.12Å; Y262-F362 HydrophobicContact CD2-CE2 4.19Å; Y262-F362 HydrophobicContact CE1-CD2 4.21Å; Y262-F362 AromaticContact CE1-CE2 3.85Å; Y262-F362 HydrophobicContact CE1-CE2 3.85Å; Y262-F362 AromaticContact CG-CE2 3.57Å; Y262-F362 HydrophobicContact CG-CE2 3.57Å; Y262-F362 HydrophobicContact CG-CZ 4.03Å |
| 263 | A | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60 | -37.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S179 Q183 Y259 L260 F261 R267 | S179-A263 WeakPolarHBondContact O-CB 3.29Å; Q183-A263 HydrophobicContact CB-CB 3.73Å; Q183-A263 HydrophobicContact CG-CB 4.39Å; Y259-A263 PolarHBondContact O-N 3.41Å; L260-A263 VanDerWaalsContact O-CB 3.3Å; L260-A263 WeakPolarHBondContact O-CB 2.98Å; L260-A263 PolarHBondContact O-N 3.37Å; F261-A263 PolarHBondContact O-N 3.05Å; A263-R267 WeakPolarHBondContact O-CG 3.37Å; A263-R267 PolarHBondContact O-N 2.88Å; A263-R267 VanDerWaalsContact O-N 3.11Å; A263-R267 PolarHBondContact O-NE 3.16Å |
| 264 | E | 94.5 | Very high | 94.6 | Very high | 70 Ų | 70 | 25.5 Ų | 25.5 | 33% | 0.327 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -69.1 | -36.6 | 172.6 | -177 | 67.5 | -143.3 | 0 | 0 | 111.6 | F261 Y262 R267 A268 R271 | F261-E264 WeakPolarHBondContact O-CB 3.48Å; F261-E264 PolarHBondContact O-N 3.06Å; Y262-E264 VanDerWaalsContact C-N 3.27Å; Y262-E264 PolarHBondContact O-N 3.02Å; E264-R267 VanDerWaalsContact CA-NH2 3.34Å; E264-R267 PolarHBondContact O-N 2.93Å; E264-R267 IonicContact OE1-NH1 3.92Å; E264-R267 IonicContact OE2-CZ 2.7Å; E264-R267 IonicContact OE2-NH1 2.67Å; E264-R267 PolarHBondContact OE2-NH1 3.34Å; E264-R267 IonicContact OE2-NH2 3.1Å; E264-R267 PolarHBondContact OE2-NH2 2.94Å; E264-A268 PolarHBondContact O-N 3.4Å; E264-R271 IonicContact OE1-CZ 2.87Å; E264-R271 IonicContact OE1-NH1 3.41Å; E264-R271 PolarHBondContact OE1-NH1 3.42Å; E264-R271 IonicContact OE1-NH2 2.68Å; E264-R271 PolarHBondContact OE1-NH2 2.98Å; E264-R271 IonicContact OE2-NH2 2.78Å |
| 265 | A | 96 | Very high | 94.8 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.9 | -43.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V77 V78 F261 Y262 A268 V269 | V77-A265 HydrophobicContact CG1-CB 3.76Å; V78-A265 WeakPolarHBondContact O-CB 3.39Å; F261-A265 PolarHBondContact O-N 3.01Å; Y262-A265 HydrophobicContact CD1-CB 4.25Å; Y262-A265 WeakPolarHBondContact O-CB 3.46Å; Y262-A265 PolarHBondContact O-N 3.16Å; Y262-A265 VanDerWaalsContact O-N 3.07Å; A265-A268 WeakPolarHBondContact O-CB 3.18Å; A265-A268 PolarHBondContact O-N 3.48Å; A265-V269 PolarHBondContact O-N 2.77Å |
| 266 | L | 96.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.6 | -46.2 | 171.8 | -72.6 | 176 | 0 | 0 | 0 | 111.8 | V77 L175 Y178 Y262 A268 V269 C270 F362 | V77-L266 HydrophobicContact CG1-CD2 4.17Å; V77-L266 HydrophobicContact CG1-CG 4.43Å; V77-L266 HydrophobicContact CG2-CD2 3.79Å; L175-L266 HydrophobicContact CD1-CD2 4.23Å; Y178-L266 HydrophobicContact CD1-CD1 4.28Å; Y178-L266 HydrophobicContact CE1-CD1 4.27Å; Y262-L266 PolarHBondContact O-N 2.8Å; L266-A268 PolarHBondContact O-N 2.7Å; L266-V269 PolarHBondContact O-N 3.48Å; L266-V269 VanDerWaalsContact O-N 3.17Å; L266-C270 PolarHBondContact O-N 3.45Å; L266-C270 VanDerWaalsContact O-N 3.08Å; L266-C270 PolarHBondContact O-SG 2.94Å; L266-F362 HydrophobicContact CD1-CE1 3.83Å; L266-F362 HydrophobicContact CD2-CD1 3.88Å; L266-F362 HydrophobicContact CD2-CE1 3.95Å; L266-F362 HydrophobicContact CG-CD1 4.47Å; L266-F362 HydrophobicContact CG-CE1 4.04Å |
| 267 | R | 95.2 | Very high | 94.9 | Very high | 25 Ų | 25 | 23.6 Ų | 23.6 | 9% | 0.094 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.2 | -32.7 | 178.1 | -72 | -174.2 | -80.4 | 96.5 | 14.6 | 112.1 | S179 D180 Q183 A263 E264 C270 R271 | S179-R267 WeakPolarHBondContact OG-CD 3.27Å; S179-R267 WeakPolarHBondContact OG-CG 2.96Å; D180-R267 VanDerWaalsContact OD1-CD 3.24Å; D180-R267 WeakPolarHBondContact OD1-CD 3.49Å; D180-R267 IonicContact OD1-NE 3.39Å; Q183-R267 VanDerWaalsContact OE1-CZ 3.26Å; A263-R267 WeakPolarHBondContact O-CG 3.37Å; A263-R267 PolarHBondContact O-N 2.88Å; A263-R267 VanDerWaalsContact O-N 3.11Å; A263-R267 PolarHBondContact O-NE 3.16Å; E264-R267 VanDerWaalsContact CA-NH2 3.34Å; E264-R267 PolarHBondContact O-N 2.93Å; E264-R267 IonicContact OE1-NH1 3.92Å; E264-R267 IonicContact OE2-CZ 2.7Å; E264-R267 IonicContact OE2-NH1 2.67Å; E264-R267 PolarHBondContact OE2-NH1 3.34Å; E264-R267 IonicContact OE2-NH2 3.1Å; E264-R267 PolarHBondContact OE2-NH2 2.94Å; R267-C270 PolarHBondContact O-N 3.45Å; R267-R271 VanDerWaalsContact NH1-NH2 3.2Å; R267-R271 WeakPolarHBondContact O-CB 3.36Å; R267-R271 VanDerWaalsContact O-CG 3.27Å; R267-R271 WeakPolarHBondContact O-CG 3.39Å; R267-R271 PolarHBondContact O-N 3.02Å |
| 268 | A | 94.8 | Very high | 94.9 | Very high | 32 Ų | 32 | 24.8 Ų | 24.8 | 26% | 0.264 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -62.9 | -43.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | L70 E264 A265 L266 R271 K272 | L70-A268 HydrophobicContact CD2-CB 4.47Å; E264-A268 PolarHBondContact O-N 3.4Å; A265-A268 WeakPolarHBondContact O-CB 3.18Å; A265-A268 PolarHBondContact O-N 3.48Å; L266-A268 PolarHBondContact O-N 2.7Å; A268-R271 PolarHBondContact O-N 3.21Å; A268-K272 PolarHBondContact O-N 2.95Å |
| 269 | V | 96.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.012 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.9 | -44.3 | 175.4 | -177.3 | 0 | 0 | 0 | 0 | 110.7 | V77 F172 A265 L266 R271 K272 H273 F351 A355 | V77-V269 HydrophobicContact CG2-CG2 4.29Å; F172-V269 HydrophobicContact CE1-CG1 4.2Å; A265-V269 PolarHBondContact O-N 2.77Å; L266-V269 PolarHBondContact O-N 3.48Å; L266-V269 VanDerWaalsContact O-N 3.17Å; V269-R271 PolarHBondContact O-N 3.01Å; V269-K272 PolarHBondContact O-N 2.88Å; V269-H273 PolarHBondContact O-N 2.82Å; V269-F351 HydrophobicContact CG1-CZ 4Å; V269-A355 HydrophobicContact CG1-CB 3.94Å |
| 270 | C | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.8 | -44.5 | 175.2 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | K176 L266 R267 K272 H273 E274 | K176-C270 HydrophobicContact CB-CB 4.43Å; L266-C270 PolarHBondContact O-N 3.45Å; L266-C270 VanDerWaalsContact O-N 3.08Å; L266-C270 PolarHBondContact O-SG 2.94Å; R267-C270 PolarHBondContact O-N 3.45Å; C270-K272 VanDerWaalsContact C-N 3.3Å; C270-K272 PolarHBondContact O-N 3.48Å; C270-H273 WeakPolarHBondContact O-CB 3.31Å; C270-H273 PolarHBondContact O-N 3.26Å; C270-E274 WeakPolarHBondContact O-CG 3.38Å; C270-E274 PolarHBondContact O-N 2.92Å |
| 271 | R | 93.7 | Very high | 94.8 | Very high | 88 Ų | 88 | 26.7 Ų | 26.7 | 33% | 0.332 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -62.9 | -37.3 | 177.6 | -74.2 | 177.9 | -156.2 | 151.1 | 11.3 | 112 | E264 R267 A268 V269 E274 L275 | E264-R271 IonicContact OE1-CZ 2.87Å; E264-R271 IonicContact OE1-NH1 3.41Å; E264-R271 PolarHBondContact OE1-NH1 3.42Å; E264-R271 IonicContact OE1-NH2 2.68Å; E264-R271 PolarHBondContact OE1-NH2 2.98Å; E264-R271 IonicContact OE2-NH2 2.78Å; R267-R271 VanDerWaalsContact NH1-NH2 3.2Å; R267-R271 WeakPolarHBondContact O-CB 3.36Å; R267-R271 VanDerWaalsContact O-CG 3.27Å; R267-R271 WeakPolarHBondContact O-CG 3.39Å; R267-R271 PolarHBondContact O-N 3.02Å; A268-R271 PolarHBondContact O-N 3.21Å; V269-R271 PolarHBondContact O-N 3.01Å; R271-E274 PolarHBondContact O-N 3.26Å; R271-L275 WeakPolarHBondContact O-CB 3.44Å; R271-L275 PolarHBondContact O-N 2.9Å |
| 272 | K | 94.4 | Very high | 94.7 | Very high | 48 Ų | 48 | 28.3 Ų | 28.3 | 21% | 0.209 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.3 | -46.3 | 174.5 | -176.3 | 75.5 | -173.4 | -178.9 | 0 | 110.7 | P74 D153 A268 V269 C270 E274 L275 M276 F351 | P74-K272 HydrophobicContact CB-CD 3.96Å; P74-K272 HydrophobicContact CB-CG 3.91Å; D153-K272 IonicContact OD1-NZ 3.5Å; D153-K272 IonicContact OD2-NZ 3.29Å; D153-K272 PolarHBondContact OD2-NZ 2.89Å; A268-K272 PolarHBondContact O-N 2.95Å; V269-K272 PolarHBondContact O-N 2.88Å; C270-K272 VanDerWaalsContact C-N 3.3Å; C270-K272 PolarHBondContact O-N 3.48Å; K272-E274 PolarHBondContact O-N 3.48Å; K272-L275 PolarHBondContact O-N 2.8Å; K272-M276 HydrophobicContact CG-CG 4.48Å; K272-M276 HydrophobicContact CG-SD 4.25Å; K272-M276 WeakPolarHBondContact O-CG 3.34Å; K272-M276 PolarHBondContact O-N 3.43Å; K272-F351 HydrophobicContact CB-CE2 4.13Å; K272-F351 HydrophobicContact CB-CZ 3.98Å; K272-F351 HydrophobicContact CG-CD2 4.4Å; K272-F351 HydrophobicContact CG-CE2 3.61Å; K272-F351 HydrophobicContact CG-CZ 3.93Å |
| 273 | H | 95 | Very high | 94.6 | Very high | 14 Ų | 14 | 28.9 Ų | 28.9 | 7% | 0.065 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.3 | -49.2 | 176.2 | -178.5 | -91.6 | 0 | 0 | 0 | 111.7 | D169 F172 V269 C270 L275 M276 Q277 F351 | D169-H273 WeakPolarHBondContact CB-CE1 3.28Å; F172-H273 HydrophobicContact CD1-CB 3.79Å; F172-H273 AromaticContact CD1-CG 3.94Å; F172-H273 HydrophobicContact CD2-CB 4.41Å; F172-H273 AromaticContact CD2-CD2 3.7Å; F172-H273 AromaticContact CD2-CE1 3.83Å; F172-H273 AromaticContact CD2-CG 3.67Å; F172-H273 AromaticContact CD2-ND1 3.74Å; F172-H273 AromaticContact CD2-NE2 3.8Å; F172-H273 HydrophobicContact CE1-CB 3.88Å; F172-H273 HydrophobicContact CE2-CB 4.5Å; F172-H273 AromaticContact CE2-CD2 3.49Å; F172-H273 VanDerWaalsContact CE2-CD2 3.49Å; F172-H273 WeakPolarHBondContact CE2-CD2 3.46Å; F172-H273 AromaticContact CE2-CG 3.83Å; F172-H273 AromaticContact CE2-NE2 3.83Å; F172-H273 HydrophobicContact CG-CB 4.06Å; F172-H273 AromaticContact CG-CG 3.71Å; F172-H273 AromaticContact CG-ND1 3.77Å; F172-H273 HydrophobicContact CZ-CB 4.23Å; F172-H273 AromaticContact CZ-CD2 3.82Å; V269-H273 PolarHBondContact O-N 2.82Å; C270-H273 WeakPolarHBondContact O-CB 3.31Å; C270-H273 PolarHBondContact O-N 3.26Å; H273-L275 VanDerWaalsContact C-N 3.26Å; H273-L275 PolarHBondContact O-N 2.94Å; H273-M276 PolarHBondContact O-N 3.23Å; H273-Q277 WeakPolarHBondContact O-CB 3.38Å; H273-Q277 PolarHBondContact O-N 3.41Å; H273-F351 HydrophobicContact CB-CD1 4.49Å; H273-F351 HydrophobicContact CB-CE1 3.74Å; H273-F351 HydrophobicContact CB-CZ 4.43Å |
| 274 | E | 93.9 | Very high | 94.5 | Very high | 19 Ų | 19 | 30.5 Ų | 30.5 | 9% | 0.089 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -55.9 | -42 | 176.8 | -72 | 169 | 165.1 | 0 | 0 | 111.4 | T162 V165 K176 C270 R271 K272 Q277 Y278 | T162-E274 PolarHBondContact OG1-OE2 3.13Å; V165-E274 HydrophobicContact CG2-CB 4.43Å; V165-E274 WeakPolarHBondContact CG2-O 3.31Å; K176-E274 IonicContact NZ-OE1 2.88Å; K176-E274 PolarHBondContact NZ-OE1 3.37Å; K176-E274 IonicContact NZ-OE2 3.36Å; K176-E274 PolarHBondContact NZ-OE2 2.92Å; C270-E274 WeakPolarHBondContact O-CG 3.38Å; C270-E274 PolarHBondContact O-N 2.92Å; R271-E274 PolarHBondContact O-N 3.26Å; K272-E274 PolarHBondContact O-N 3.48Å; E274-Q277 PolarHBondContact O-N 3.44Å; E274-Y278 WeakPolarHBondContact O-CB 3.46Å; E274-Y278 PolarHBondContact O-N 3.28Å |
| 275 | L | 93.7 | Very high | 94.5 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.9 | -42 | 177.1 | -178.6 | 61.2 | 0 | 0 | 0 | 113.2 | D153 K157 A161 R271 K272 H273 Q277 Y278 D279 | D153-L275 HydrophobicContact CB-CD2 3.46Å; D153-L275 VanDerWaalsContact CB-CD2 3.46Å; D153-L275 VanDerWaalsContact OD1-CD2 3.28Å; D153-L275 WeakPolarHBondContact OD1-CD2 3.45Å; D153-L275 WeakPolarHBondContact OD2-CD2 3.41Å; K157-L275 HydrophobicContact CD-CD1 3.95Å; K157-L275 HydrophobicContact CG-CD1 3.84Å; A161-L275 HydrophobicContact CB-CB 4.27Å; A161-L275 HydrophobicContact CB-CD1 3.81Å; R271-L275 WeakPolarHBondContact O-CB 3.44Å; R271-L275 PolarHBondContact O-N 2.9Å; K272-L275 PolarHBondContact O-N 2.8Å; H273-L275 VanDerWaalsContact C-N 3.26Å; H273-L275 PolarHBondContact O-N 2.94Å; L275-Q277 VanDerWaalsContact C-N 3.35Å; L275-Y278 PolarHBondContact O-N 3.12Å; L275-D279 PolarHBondContact O-N 3.38Å |
| 276 | M | 93.2 | Very high | 94.4 | Very high | 41 Ų | 41 | 35.4 Ų | 35.4 | 20% | 0.202 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.3 | -42.2 | 176.7 | -69.2 | -179 | 73.5 | 0 | 0 | 111.3 | K272 H273 D279 L280 E347 F351 | K272-M276 HydrophobicContact CG-CG 4.48Å; K272-M276 HydrophobicContact CG-SD 4.25Å; K272-M276 WeakPolarHBondContact O-CG 3.34Å; K272-M276 PolarHBondContact O-N 3.43Å; H273-M276 PolarHBondContact O-N 3.23Å; M276-D279 PolarHBondContact O-N 3.04Å; M276-L280 WeakPolarHBondContact O-CB 3.3Å; M276-L280 PolarHBondContact O-N 3.01Å; M276-E347 HydrophobicContact CE-CB 4.12Å; M276-F351 HydrophobicContact CE-CB 3.82Å; M276-F351 HydrophobicContact CE-CG 4.26Å; M276-F351 HydrophobicContact SD-CB 3.82Å; M276-F351 HydrophobicContact SD-CD1 4.15Å; M276-F351 HydrophobicContact SD-CD2 3.63Å; M276-F351 HydrophobicContact SD-CE2 4.25Å; M276-F351 HydrophobicContact SD-CG 3.57Å; M276-F351 VanDerWaalsContact SD-CG 3.57Å |
| 277 | Q | 93.7 | Very high | 94.4 | Very high | 42 Ų | 42 | 35.9 Ų | 35.9 | 20% | 0.196 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.3 | -44.2 | 175.2 | -177.1 | 62.1 | 26.1 | 0 | 0 | 111.3 | V165 N167 H273 E274 L275 L280 E281 | V165-Q277 HydrophobicContact CG1-CB 4.44Å; V165-Q277 HydrophobicContact CG1-CG 3.75Å; V165-Q277 HydrophobicContact CG2-CB 4.45Å; N167-Q277 PolarHBondContact O-NE2 2.93Å; H273-Q277 WeakPolarHBondContact O-CB 3.38Å; H273-Q277 PolarHBondContact O-N 3.41Å; E274-Q277 PolarHBondContact O-N 3.44Å; L275-Q277 VanDerWaalsContact C-N 3.35Å; Q277-L280 WeakPolarHBondContact O-CB 3.3Å; Q277-L280 PolarHBondContact O-N 2.91Å; Q277-E281 PolarHBondContact NE2-OE1 3.49Å; Q277-E281 WeakPolarHBondContact O-CG 3.28Å; Q277-E281 PolarHBondContact O-N 2.83Å |
| 278 | Y | 93.8 | Very high | 94.4 | Very high | 35 Ų | 35 | 39 Ų | 39 | 14% | 0.137 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.9 | -47.9 | 175.5 | 175.7 | -100.9 | 0 | 0 | 0 | 112.1 | A161 R164 E274 L275 L280 E281 M282 | A161-Y278 HydrophobicContact CB-CD1 4.06Å; A161-Y278 HydrophobicContact CB-CD2 4.43Å; A161-Y278 HydrophobicContact CB-CG 3.76Å; R164-Y278 HydrophobicContact CB-CD2 4.08Å; R164-Y278 HydrophobicContact CB-CE2 3.75Å; E274-Y278 WeakPolarHBondContact O-CB 3.46Å; E274-Y278 PolarHBondContact O-N 3.28Å; L275-Y278 PolarHBondContact O-N 3.12Å; Y278-L280 VanDerWaalsContact C-N 3.27Å; Y278-L280 PolarHBondContact O-N 3.47Å; Y278-E281 PolarHBondContact O-N 3.38Å; Y278-M282 HydrophobicContact CD1-CG 4.23Å; Y278-M282 HydrophobicContact CD2-CG 4.3Å; Y278-M282 HydrophobicContact CE1-CG 3.8Å; Y278-M282 HydrophobicContact CE2-CG 3.87Å; Y278-M282 HydrophobicContact CE2-SD 4.05Å; Y278-M282 HydrophobicContact CG-CG 4.47Å; Y278-M282 WeakPolarHBondContact O-CB 3.43Å; Y278-M282 VanDerWaalsContact O-CG 3.32Å; Y278-M282 WeakPolarHBondContact O-CG 3.13Å; Y278-M282 PolarHBondContact O-N 2.89Å |
| 279 | D | 92.5 | Very high | 94.4 | Very high | 35 Ų | 35 | 39.4 Ų | 39.4 | 19% | 0.187 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.2 | -34.7 | 179.3 | -79.5 | -8.6 | 0 | 0 | 0 | 112.1 | K157 L275 M276 A283 | K157-D279 WeakPolarHBondContact CE-OD1 3.36Å; K157-D279 IonicContact NZ-OD1 2.7Å; K157-D279 PolarHBondContact NZ-OD1 3.04Å; K157-D279 IonicContact NZ-OD2 2.8Å; K157-D279 PolarHBondContact NZ-OD2 3.5Å; L275-D279 PolarHBondContact O-N 3.38Å; M276-D279 PolarHBondContact O-N 3.04Å; D279-A283 WeakPolarHBondContact O-CB 3.17Å; D279-A283 PolarHBondContact O-N 3.38Å; D279-A283 VanDerWaalsContact O-N 3.09Å |
| 280 | L | 93.8 | Very high | 94.3 | Very high | 25 Ų | 25 | 41.3 Ų | 41.3 | 13% | 0.131 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.7 | -47.5 | 173.9 | -178.2 | 73.3 | 0 | 0 | 0 | 111.7 | M276 Q277 Y278 M282 A283 A284 L341 K344 N345 | M276-L280 WeakPolarHBondContact O-CB 3.3Å; M276-L280 PolarHBondContact O-N 3.01Å; Q277-L280 WeakPolarHBondContact O-CB 3.3Å; Q277-L280 PolarHBondContact O-N 2.91Å; Y278-L280 VanDerWaalsContact C-N 3.27Å; Y278-L280 PolarHBondContact O-N 3.47Å; L280-M282 VanDerWaalsContact C-N 3.33Å; L280-M282 PolarHBondContact O-N 3Å; L280-A283 PolarHBondContact O-N 3.41Å; L280-A284 WeakPolarHBondContact O-CB 3.34Å; L280-A284 PolarHBondContact O-N 3.49Å; L280-L341 HydrophobicContact CD1-CD1 3.61Å; L280-L341 HydrophobicContact CG-CD1 4.35Å; L280-K344 HydrophobicContact CD1-CB 3.67Å; L280-N345 HydrophobicContact CD1-CB 4.34Å; L280-N345 WeakPolarHBondContact CD2-OD1 3.07Å |
| 281 | E | 94.3 | Very high | 94.2 | Very high | 29 Ų | 29 | 45.4 Ų | 45.4 | 14% | 0.136 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.1 | -40.3 | 178.3 | -73.6 | 175 | -175 | 0 | 0 | 111.8 | K166 N167 Q277 Y278 A284 Q285 | K166-E281 PolarHBondContact N-OE2 2.98Å; N167-E281 PolarHBondContact N-OE1 3.46Å; Q277-E281 PolarHBondContact NE2-OE1 3.49Å; Q277-E281 WeakPolarHBondContact O-CG 3.28Å; Q277-E281 PolarHBondContact O-N 2.83Å; Y278-E281 PolarHBondContact O-N 3.38Å; E281-A284 PolarHBondContact O-N 2.94Å; E281-Q285 WeakPolarHBondContact O-CB 3.24Å; E281-Q285 PolarHBondContact O-N 3.24Å |
| 282 | M | 93.3 | Very high | 94.1 | Very high | 81 Ų | 81 | 45.3 Ų | 45.3 | 40% | 0.399 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.3 | -42.9 | 176.1 | -72.3 | -55 | -51.2 | 0 | 0 | 112 | Y278 L280 Q285 D286 | Y278-M282 HydrophobicContact CD1-CG 4.23Å; Y278-M282 HydrophobicContact CD2-CG 4.3Å; Y278-M282 HydrophobicContact CE1-CG 3.8Å; Y278-M282 HydrophobicContact CE2-CG 3.87Å; Y278-M282 HydrophobicContact CE2-SD 4.05Å; Y278-M282 HydrophobicContact CG-CG 4.47Å; Y278-M282 WeakPolarHBondContact O-CB 3.43Å; Y278-M282 VanDerWaalsContact O-CG 3.32Å; Y278-M282 WeakPolarHBondContact O-CG 3.13Å; Y278-M282 PolarHBondContact O-N 2.89Å; L280-M282 VanDerWaalsContact C-N 3.33Å; L280-M282 PolarHBondContact O-N 3Å; M282-Q285 PolarHBondContact O-N 3.4Å; M282-D286 WeakPolarHBondContact O-CB 3.48Å; M282-D286 PolarHBondContact O-N 3.39Å |
| 283 | A | 94.4 | Very high | 93.9 | Very high | 15 Ų | 15 | 46.7 Ų | 46.7 | 12% | 0.124 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64 | -41 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D279 L280 D286 L287 L341 K344 | D279-A283 WeakPolarHBondContact O-CB 3.17Å; D279-A283 PolarHBondContact O-N 3.38Å; D279-A283 VanDerWaalsContact O-N 3.09Å; L280-A283 PolarHBondContact O-N 3.41Å; A283-D286 PolarHBondContact O-N 3.11Å; A283-L287 WeakPolarHBondContact O-CB 3.31Å; A283-L287 PolarHBondContact O-N 3.5Å; A283-L341 HydrophobicContact CB-CD1 4.25Å; A283-K344 HydrophobicContact CB-CD 4.12Å |
| 284 | A | 95.3 | Very high | 93.7 | Very high | 35 Ų | 35 | 46.7 Ų | 46.7 | 29% | 0.289 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.9 | -41.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L280 E281 T288 L341 | L280-A284 WeakPolarHBondContact O-CB 3.34Å; L280-A284 PolarHBondContact O-N 3.49Å; E281-A284 PolarHBondContact O-N 2.94Å; A284-T288 WeakPolarHBondContact O-CB 3.01Å; A284-T288 PolarHBondContact O-N 3.44Å; A284-T288 PolarHBondContact O-OG1 3.3Å; A284-L341 HydrophobicContact CB-CD1 3.86Å; A284-L341 HydrophobicContact CB-CD2 4.37Å |
| 285 | Q | 94.8 | Very high | 93.4 | Very high | 103 Ų | 103 | 52.2 Ų | 52.2 | 48% | 0.481 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 177.1 | -176 | 172.9 | -12.4 | 0 | 0 | 111.8 | E281 M282 T288 S289 | E281-Q285 WeakPolarHBondContact O-CB 3.24Å; E281-Q285 PolarHBondContact O-N 3.24Å; M282-Q285 PolarHBondContact O-N 3.4Å; Q285-T288 PolarHBondContact O-N 3.27Å; Q285-S289 PolarHBondContact O-N 3.29Å |
| 286 | D | 94.4 | Very high | 93.1 | Very high | 71 Ų | 71 | 55.1 Ų | 55.1 | 38% | 0.38 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.7 | -49.1 | 175.5 | -175.9 | 60.6 | 0 | 0 | 0 | 111.1 | M282 A283 T288 S289 K290 | M282-D286 WeakPolarHBondContact O-CB 3.48Å; M282-D286 PolarHBondContact O-N 3.39Å; A283-D286 PolarHBondContact O-N 3.11Å; D286-T288 VanDerWaalsContact C-N 3.33Å; D286-T288 PolarHBondContact O-N 2.84Å; D286-S289 WeakPolarHBondContact O-CB 3.39Å; D286-S289 PolarHBondContact O-N 3.19Å; D286-S289 VanDerWaalsContact O-N 3.09Å; D286-S289 PolarHBondContact O-OG 3.46Å; D286-K290 PolarHBondContact O-N 3.14Å; D286-K290 VanDerWaalsContact OD2-CE 3.23Å; D286-K290 WeakPolarHBondContact OD2-CE 3.5Å; D286-K290 IonicContact OD2-NZ 2.6Å; D286-K290 PolarHBondContact OD2-NZ 3.48Å |
| 287 | L | 95.5 | Very high | 92.7 | Very high | 10 Ų | 10 | 55.3 Ų | 55.3 | 5% | 0.052 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.9 | -44.5 | 176.2 | -179.5 | 62.4 | 0 | 0 | 0 | 112.2 | A283 S289 K290 K291 I334 E338 L341 | A283-L287 WeakPolarHBondContact O-CB 3.31Å; A283-L287 PolarHBondContact O-N 3.5Å; L287-S289 VanDerWaalsContact C-N 3.29Å; L287-S289 PolarHBondContact O-N 3.35Å; L287-K290 PolarHBondContact O-N 3.47Å; L287-K291 HydrophobicContact CD1-CG 4.46Å; L287-K291 HydrophobicContact CG-CD 4.37Å; L287-K291 WeakPolarHBondContact O-CG 3.47Å; L287-K291 PolarHBondContact O-N 3.23Å; L287-I334 HydrophobicContact CD1-CB 4.32Å; L287-I334 HydrophobicContact CD1-CG1 4.44Å; L287-I334 HydrophobicContact CD1-CG2 4Å; L287-I334 WeakPolarHBondContact CD1-O 3.47Å; L287-E338 HydrophobicContact CD1-CG 4.08Å; L287-E338 HydrophobicContact CD2-CG 3.76Å; L287-L341 HydrophobicContact CD2-CD2 3.92Å |
| 288 | T | 96 | Very high | 92.2 | Very high | 90 Ų | 90 | 56.7 Ų | 56.7 | 55% | 0.552 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.6 | -41.9 | 177 | -56.8 | 0 | 0 | 0 | 0 | 110.8 | A284 Q285 D286 K291 Q292 | A284-T288 WeakPolarHBondContact O-CB 3.01Å; A284-T288 PolarHBondContact O-N 3.44Å; A284-T288 PolarHBondContact O-OG1 3.3Å; Q285-T288 PolarHBondContact O-N 3.27Å; D286-T288 VanDerWaalsContact C-N 3.33Å; D286-T288 PolarHBondContact O-N 2.84Å; T288-K291 PolarHBondContact O-N 2.88Å; T288-Q292 WeakPolarHBondContact O-CB 3.35Å; T288-Q292 PolarHBondContact O-N 3.4Å |
| 289 | S | 94.9 | Very high | 91.7 | Very high | 41 Ų | 41 | 59 Ų | 59 | 29% | 0.287 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.1 | -39.1 | 178.4 | 86.6 | 0 | 0 | 0 | 0 | 112.6 | Q285 D286 L287 Q292 Q293 | Q285-S289 PolarHBondContact O-N 3.29Å; D286-S289 WeakPolarHBondContact O-CB 3.39Å; D286-S289 PolarHBondContact O-N 3.19Å; D286-S289 VanDerWaalsContact O-N 3.09Å; D286-S289 PolarHBondContact O-OG 3.46Å; L287-S289 VanDerWaalsContact C-N 3.29Å; L287-S289 PolarHBondContact O-N 3.35Å; S289-Q292 PolarHBondContact O-N 3.44Å; S289-Q293 VanDerWaalsContact O-CG 3.28Å; S289-Q293 WeakPolarHBondContact O-CG 3.39Å; S289-Q293 PolarHBondContact O-N 2.89Å |
| 290 | K | 93.8 | Very high | 90.6 | Very high | 42 Ų | 42 | 59.2 Ų | 59.2 | 18% | 0.183 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67 | -44.1 | 176.4 | -74.8 | 172.4 | 173 | 161.1 | 0 | 111.8 | D286 L287 Q292 Q293 C294 Q333 I334 | D286-K290 PolarHBondContact O-N 3.14Å; D286-K290 VanDerWaalsContact OD2-CE 3.23Å; D286-K290 WeakPolarHBondContact OD2-CE 3.5Å; D286-K290 IonicContact OD2-NZ 2.6Å; D286-K290 PolarHBondContact OD2-NZ 3.48Å; L287-K290 PolarHBondContact O-N 3.47Å; K290-Q292 VanDerWaalsContact C-N 3.34Å; K290-Q292 PolarHBondContact O-N 2.94Å; K290-Q293 PolarHBondContact O-N 2.95Å; K290-C294 WeakPolarHBondContact O-CB 3.38Å; K290-C294 PolarHBondContact O-N 2.92Å; K290-Q333 HydrophobicContact CD-CB 4.25Å; K290-I334 HydrophobicContact CB-CG1 3.88Å |
| 291 | K | 94 | Very high | 89 | Confident | 87 Ų | 87 | 62.2 Ų | 62.2 | 38% | 0.378 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.5 | -46.6 | 173.7 | -74.4 | -178.2 | 175.6 | -171.3 | 0 | 111.7 | L287 T288 Q293 C294 E295 I334 E338 | L287-K291 HydrophobicContact CD1-CG 4.46Å; L287-K291 HydrophobicContact CG-CD 4.37Å; L287-K291 WeakPolarHBondContact O-CG 3.47Å; L287-K291 PolarHBondContact O-N 3.23Å; T288-K291 PolarHBondContact O-N 2.88Å; K291-Q293 PolarHBondContact O-N 2.6Å; K291-C294 PolarHBondContact O-N 2.84Å; K291-E295 PolarHBondContact O-N 3.25Å; K291-I334 HydrophobicContact CG-CD1 4Å; K291-I334 HydrophobicContact CG-CG1 4.07Å; K291-I334 HydrophobicContact CG-CG2 3.98Å; K291-E338 WeakPolarHBondContact CE-OE1 3.46Å; K291-E338 IonicContact NZ-OE1 2.98Å; K291-E338 PolarHBondContact NZ-OE1 3.35Å |
| 292 | Q | 92.4 | Very high | 87.2 | Confident | 86 Ų | 86 | 64.8 Ų | 64.8 | 40% | 0.402 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62 | -43.4 | 176.5 | -172.3 | -173.7 | -15.9 | 0 | 0 | 112 | T288 S289 K290 C294 E295 E296 | T288-Q292 WeakPolarHBondContact O-CB 3.35Å; T288-Q292 PolarHBondContact O-N 3.4Å; S289-Q292 PolarHBondContact O-N 3.44Å; K290-Q292 VanDerWaalsContact C-N 3.34Å; K290-Q292 PolarHBondContact O-N 2.94Å; Q292-C294 PolarHBondContact O-N 2.84Å; Q292-E295 PolarHBondContact O-N 3.45Å; Q292-E296 PolarHBondContact NE2-OE1 3.07Å; Q292-E296 WeakPolarHBondContact O-CB 3.43Å; Q292-E296 VanDerWaalsContact O-CG 3.31Å; Q292-E296 WeakPolarHBondContact O-CG 3.38Å; Q292-E296 PolarHBondContact O-N 3.01Å |
| 293 | Q | 89.5 | Confident | 85.3 | Confident | 77 Ų | 77 | 69.1 Ų | 69.1 | 36% | 0.36 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 177.4 | -73.8 | 174.9 | 30.8 | 0 | 0 | 112.5 | S289 K290 K291 E296 L297 L330 | S289-Q293 VanDerWaalsContact O-CG 3.28Å; S289-Q293 WeakPolarHBondContact O-CG 3.39Å; S289-Q293 PolarHBondContact O-N 2.89Å; K290-Q293 PolarHBondContact O-N 2.95Å; K291-Q293 PolarHBondContact O-N 2.6Å; Q293-E296 PolarHBondContact O-N 3.17Å; Q293-L297 WeakPolarHBondContact O-CG 3.27Å; Q293-L297 PolarHBondContact O-N 3.46Å; Q293-L330 HydrophobicContact CB-CD1 4.3Å |
| 294 | C | 89.9 | Confident | 83.1 | Confident | 14 Ų | 14 | 74.2 Ų | 74.2 | 10% | 0.095 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 176.4 | -167.2 | 0 | 0 | 0 | 0 | 111.3 | K290 K291 Q292 L297 A298 L330 I334 | K290-C294 WeakPolarHBondContact O-CB 3.38Å; K290-C294 PolarHBondContact O-N 2.92Å; K291-C294 PolarHBondContact O-N 2.84Å; Q292-C294 PolarHBondContact O-N 2.84Å; C294-L297 PolarHBondContact O-N 3.5Å; C294-A298 WeakPolarHBondContact O-CB 3.36Å; C294-A298 PolarHBondContact O-N 2.81Å; C294-L330 HydrophobicContact CB-CB 4.25Å; C294-L330 HydrophobicContact CB-CD1 4.44Å; C294-I334 HydrophobicContact CB-CD1 3.76Å |
| 295 | E | 88.8 | Confident | 81 | Confident | 134 Ų | 134 | 82.4 Ų | 82.4 | 63% | 0.626 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -65.2 | -40.6 | 176.6 | -172.1 | 178.7 | -177 | 0 | 0 | 112.5 | K291 Q292 L297 A298 T299 | K291-E295 PolarHBondContact O-N 3.25Å; Q292-E295 PolarHBondContact O-N 3.45Å; E295-L297 VanDerWaalsContact C-N 3.32Å; E295-L297 PolarHBondContact O-N 2.87Å; E295-A298 PolarHBondContact O-N 3.35Å; E295-T299 HydrophobicContact CG-CG2 4.32Å; E295-T299 WeakPolarHBondContact O-CB 3.36Å; E295-T299 WeakPolarHBondContact O-CG2 3.3Å; E295-T299 PolarHBondContact O-N 3.06Å; E295-T299 PolarHBondContact O-OG1 2.97Å |
| 296 | E | 86.6 | Confident | 79 | Confident | 65 Ų | 65 | 80.1 Ų | 80.1 | 30% | 0.304 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 175.1 | -75.5 | 175.4 | -173.7 | 0 | 0 | 111.8 | Q292 Q293 G300 T301 | Q292-E296 PolarHBondContact NE2-OE1 3.07Å; Q292-E296 WeakPolarHBondContact O-CB 3.43Å; Q292-E296 VanDerWaalsContact O-CG 3.31Å; Q292-E296 WeakPolarHBondContact O-CG 3.38Å; Q292-E296 PolarHBondContact O-N 3.01Å; Q293-E296 PolarHBondContact O-N 3.17Å; E296-G300 PolarHBondContact O-N 3.14Å; E296-G300 VanDerWaalsContact O-N 3.16Å; E296-T301 PolarHBondContact O-N 2.92Å |
| 297 | L | 84.4 | Confident | 77.1 | Confident | 44 Ų | 44 | 84 Ų | 84 | 23% | 0.23 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -71.5 | -40.4 | 175.8 | -70.9 | 171.8 | 0 | 0 | 0 | 112.2 | Q293 C294 E295 G300 R323 K326 I327 L330 | Q293-L297 WeakPolarHBondContact O-CG 3.27Å; Q293-L297 PolarHBondContact O-N 3.46Å; C294-L297 PolarHBondContact O-N 3.5Å; E295-L297 VanDerWaalsContact C-N 3.32Å; E295-L297 PolarHBondContact O-N 2.87Å; L297-G300 PolarHBondContact O-N 3.29Å; L297-R323 HydrophobicContact CD2-CG 4.43Å; L297-R323 WeakPolarHBondContact O-CD 3.35Å; L297-K326 HydrophobicContact CD1-CB 4.34Å; L297-I327 HydrophobicContact CB-CD1 4.07Å; L297-I327 HydrophobicContact CB-CG1 3.75Å; L297-I327 HydrophobicContact CD1-CG1 4.45Å; L297-L330 HydrophobicContact CD1-CD1 3.56Å |
| 298 | A | 84.1 | Confident | 75.2 | Confident | 72 Ų | 72 | 90 Ų | 90 | 60% | 0.595 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.7 | -40.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | C294 E295 G300 I327 | C294-A298 WeakPolarHBondContact O-CB 3.36Å; C294-A298 PolarHBondContact O-N 2.81Å; E295-A298 PolarHBondContact O-N 3.35Å; A298-G300 VanDerWaalsContact C-N 3.35Å; A298-I327 HydrophobicContact CB-CD1 4.37Å |
| 299 | T | 83.3 | Confident | 73.2 | Confident | 84 Ų | 84 | 86.2 Ų | 86.2 | 52% | 0.515 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -82.2 | -13.2 | 179.1 | 60.8 | 0 | 0 | 0 | 0 | 113.4 | E295 T301 | E295-T299 HydrophobicContact CG-CG2 4.32Å; E295-T299 WeakPolarHBondContact O-CB 3.36Å; E295-T299 WeakPolarHBondContact O-CG2 3.3Å; E295-T299 PolarHBondContact O-N 3.06Å; E295-T299 PolarHBondContact O-OG1 2.97Å; T299-T301 WeakPolarHBondContact CB-OG1 3.32Å; T299-T301 PolarHBondContact O-N 3.32Å; T299-T301 PolarHBondContact OG1-OG1 3.42Å |
| 300 | G | 70 | Confident | 71.3 | Confident | 38 Ų | 38 | 90.9 Ų | 90.9 | 39% | 0.392 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 10.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114 | E296 L297 A298 V302 | E296-G300 PolarHBondContact O-N 3.14Å; E296-G300 VanDerWaalsContact O-N 3.16Å; L297-G300 PolarHBondContact O-N 3.29Å; A298-G300 VanDerWaalsContact C-N 3.35Å; G300-V302 VanDerWaalsContact C-N 3.31Å; G300-V302 PolarHBondContact O-N 3.45Å |
| 301 | T | 60.3 | Low | 69.6 | Low | 88 Ų | 88 | 92.4 Ų | 92.4 | 54% | 0.54 | 49% | 0.489 | S | S | . | . | trans | -82.9 | 72.9 | -176.6 | -42.7 | 0 | 0 | 0 | 0 | 110.3 | E296 T299 R303 | E296-T301 PolarHBondContact O-N 2.92Å; T299-T301 WeakPolarHBondContact CB-OG1 3.32Å; T299-T301 PolarHBondContact O-N 3.32Å; T299-T301 PolarHBondContact OG1-OG1 3.42Å; T301-R303 PolarHBondContact O-N 3.39Å; T301-R303 VanDerWaalsContact O-N 3.15Å | ||
| 302 | V | 55.8 | Low | 67.7 | Low | 83 Ų | 83 | 90.8 Ų | 90.8 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | trans | -71.2 | 109.3 | 168.8 | -177.9 | 0 | 0 | 0 | 0 | 107.5 | G300 T304 | G300-V302 VanDerWaalsContact C-N 3.31Å; G300-V302 PolarHBondContact O-N 3.45Å; V302-T304 PolarHBondContact O-N 3.49Å | ||
| 303 | R | 54.1 | Low | 66 | Low | 173 Ų | 173 | 95.8 Ų | 95.8 | 65% | 0.653 | 51% | 0.509 | S | S | * | . | trans | -51.7 | 115 | 173.6 | -71.6 | -174.3 | -175 | 178.3 | 4 | 109 | T301 F305 S306 | T301-R303 PolarHBondContact O-N 3.39Å; T301-R303 VanDerWaalsContact O-N 3.15Å; R303-F305 PolarHBondContact O-N 3.16Å; R303-S306 PolarHBondContact O-N 2.92Å; R303-S306 VanDerWaalsContact O-N 3.09Å | ||
| 304 | T | 48.2 | Very low | 64.4 | Low | 122 Ų | 122 | 99 Ų | 99 | 75% | 0.748 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -9.6 | -175.4 | 33.2 | 0 | 0 | 0 | 0 | 114.8 | V302 | V302-T304 PolarHBondContact O-N 3.49Š|
| 305 | F | 49.4 | Very low | 62.9 | Low | 207 Ų | 207 | 107 Ų | 107 | 91% | 0.908 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | 11.2 | 179.9 | -64.6 | -79.3 | 0 | 0 | 0 | 114.7 | R303 | R303-F305 PolarHBondContact O-N 3.16Š|
| 306 | S | 54.4 | Low | 61.4 | Low | 54 Ų | 54 | 102.9 Ų | 102.9 | 38% | 0.378 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -91.5 | 145.3 | 173.2 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | R303 K308 G309 | R303-S306 PolarHBondContact O-N 2.92Å; R303-S306 VanDerWaalsContact O-N 3.09Å; S306-K308 PolarHBondContact O-N 3.33Å; S306-K308 PolarHBondContact OG-N 2.92Å; S306-G309 PolarHBondContact O-N 3.25Å |
| 307 | L | 54.4 | Low | 60.3 | Low | 153 Ų | 153 | 108.3 Ų | 108.3 | 80% | 0.801 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -47.2 | -29.9 | 171.9 | -101.9 | 135.8 | 0 | 0 | 0 | 112.9 | M310 T311 | L307-M310 PolarHBondContact O-N 3.46Å; L307-T311 PolarHBondContact O-N 2.86Å |
| 308 | K | 54.2 | Low | 59.5 | Low | 136 Ų | 136 | 110 Ų | 110 | 59% | 0.591 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69 | -27.9 | 175.4 | -75.1 | -176.4 | 175.4 | 179.8 | 0 | 114.3 | S306 M310 T311 S312 | S306-K308 PolarHBondContact O-N 3.33Å; S306-K308 PolarHBondContact OG-N 2.92Å; K308-M310 VanDerWaalsContact C-N 3.33Å; K308-T311 WeakPolarHBondContact CA-OG1 3.48Å; K308-T311 PolarHBondContact O-OG1 3.48Å; K308-S312 PolarHBondContact O-N 2.92Å |
| 309 | G | 54.7 | Low | 59.1 | Low | 11 Ų | 11 | 109.2 Ų | 109.2 | 11% | 0.113 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -75.7 | -19.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S306 S312 | S306-G309 PolarHBondContact O-N 3.25Å; G309-S312 PolarHBondContact O-OG 2.84Å |
| 310 | M | 55.7 | Low | 58.9 | Low | 138 Ų | 138 | 109.6 Ų | 109.6 | 68% | 0.68 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -82.3 | -34.6 | 171.6 | -72.7 | 179.8 | 68.4 | 0 | 0 | 111.9 | L307 K308 K313 | L307-M310 PolarHBondContact O-N 3.46Å; K308-M310 VanDerWaalsContact C-N 3.33Å; M310-K313 PolarHBondContact O-N 2.72Å |
| 311 | T | 56.8 | Low | 59.5 | Low | 75 Ų | 75 | 113.9 Ų | 113.9 | 46% | 0.46 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -71.4 | -33.6 | 178.1 | 50.5 | 0 | 0 | 0 | 0 | 113 | L307 K308 K313 L314 F315 | L307-T311 PolarHBondContact O-N 2.86Å; K308-T311 WeakPolarHBondContact CA-OG1 3.48Å; K308-T311 PolarHBondContact O-OG1 3.48Å; T311-K313 PolarHBondContact O-N 2.93Å; T311-L314 PolarHBondContact O-N 3.3Å; T311-L314 VanDerWaalsContact O-N 3.09Å; T311-F315 PolarHBondContact O-N 3.42Å |
| 312 | S | 56 | Low | 60.6 | Low | 53 Ų | 53 | 114.7 Ų | 114.7 | 37% | 0.371 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68 | -22.1 | 176.2 | 68.6 | 0 | 0 | 0 | 0 | 113.6 | K308 G309 G316 | K308-S312 PolarHBondContact O-N 2.92Å; G309-S312 PolarHBondContact O-OG 2.84Å; S312-G316 CarbonylContact O-C 3.59Å |
| 313 | K | 56.5 | Low | 61.8 | Low | 191 Ų | 191 | 115.5 Ų | 115.5 | 83% | 0.83 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -81.9 | -19.3 | 172.1 | -70.5 | -175.1 | 178.5 | -178.3 | 0 | 113.1 | M310 T311 | M310-K313 PolarHBondContact O-N 2.72Å; T311-K313 PolarHBondContact O-N 2.93Å |
| 314 | L | 55 | Low | 63.3 | Low | 143 Ų | 143 | 114 Ų | 114 | 75% | 0.749 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -98.5 | -29.9 | -177.6 | -116.3 | 113.8 | 0 | 0 | 0 | 113.8 | T311 | T311-L314 PolarHBondContact O-N 3.3Å; T311-L314 VanDerWaalsContact O-N 3.09Å |
| 315 | F | 58.9 | Low | 65.3 | Low | 182 Ų | 182 | 110.9 Ų | 110.9 | 80% | 0.798 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -111.6 | 4.2 | -174.4 | -77.9 | -86.7 | 0 | 0 | 0 | 114.9 | T311 | T311-F315 PolarHBondContact O-N 3.42Š|
| 316 | G | 57.5 | Low | 67.1 | Low | 48 Ų | 48 | 105.5 Ų | 105.5 | 50% | 0.495 | 54% | 0.544 | S | S | . | . | trans | 92 | 152.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | S312 | S312-G316 CarbonylContact O-C 3.59Š| ||
| 317 | Q | 63.5 | Low | 68.8 | Low | 180 Ų | 180 | 104.3 Ų | 104.3 | 84% | 0.841 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 128.1 | 174.5 | -73.9 | -178.3 | -18.6 | 0 | 0 | 109.4 | T319 | Q317-T319 PolarHBondContact O-N 3.17Š|
| 318 | E | 66.3 | Low | 70.7 | Confident | 79 Ų | 79 | 103.1 Ų | 103.1 | 37% | 0.369 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 136 | 170.7 | -74.4 | 179.8 | 175 | 0 | 0 | 110.4 | K326 | E318-K326 VanDerWaalsContact CD-NZ 3.29Å; E318-K326 IonicContact OE1-NZ 2.66Å; E318-K326 PolarHBondContact OE1-NZ 3.47Å; E318-K326 IonicContact OE2-NZ 2.73Å; E318-K326 PolarHBondContact OE2-NZ 3.39Å |
| 319 | T | 76.6 | Confident | 72.6 | Confident | 56 Ų | 56 | 100.1 Ų | 100.1 | 34% | 0.344 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 154 | 179.1 | 80.8 | 0 | 0 | 0 | 0 | 110.4 | Q317 E321 Q322 R323 | Q317-T319 PolarHBondContact O-N 3.17Å; T319-E321 WeakPolarHBondContact CB-OE2 3.31Å; T319-E321 PolarHBondContact O-N 3.34Å; T319-E321 PolarHBondContact OG1-OE2 2.94Å; T319-Q322 PolarHBondContact O-N 3.02Å; T319-Q322 VanDerWaalsContact O-N 3.12Å; T319-Q322 WeakPolarHBondContact OG1-CG 3.49Å; T319-Q322 PolarHBondContact OG1-N 3.25Å; T319-R323 PolarHBondContact O-N 3.16Å |
| 320 | P | 78.6 | Confident | 74.4 | Confident | 92 Ų | 92 | 100.4 Ų | 100.4 | 60% | 0.597 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -52.6 | -40.2 | 176.8 | -24.8 | 34.1 | 0 | 0 | 0 | 112.6 | R323 E324 | P320-R323 PolarHBondContact O-N 2.93Å; P320-E324 WeakPolarHBondContact O-CB 3.47Å; P320-E324 PolarHBondContact O-N 3.36Å |
| 321 | E | 82.5 | Confident | 76.3 | Confident | 127 Ų | 127 | 99 Ų | 99 | 59% | 0.593 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.7 | -38 | -179.3 | -54 | 74.7 | -160.3 | 0 | 0 | 111.8 | T319 A325 | T319-E321 WeakPolarHBondContact CB-OE2 3.31Å; T319-E321 PolarHBondContact O-N 3.34Å; T319-E321 PolarHBondContact OG1-OE2 2.94Å; E321-A325 WeakPolarHBondContact O-CB 3.48Å; E321-A325 PolarHBondContact O-N 2.96Å |
| 322 | Q | 83.1 | Confident | 78.2 | Confident | 105 Ų | 105 | 100.2 Ų | 100.2 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.7 | -37.3 | 175.7 | -71.9 | 175.1 | -19.6 | 0 | 0 | 111.9 | T319 K326 | T319-Q322 PolarHBondContact O-N 3.02Å; T319-Q322 VanDerWaalsContact O-N 3.12Å; T319-Q322 WeakPolarHBondContact OG1-CG 3.49Å; T319-Q322 PolarHBondContact OG1-N 3.25Å; Q322-K326 WeakPolarHBondContact O-CG 3.39Å; Q322-K326 PolarHBondContact O-N 3.4Å; Q322-K326 VanDerWaalsContact O-N 3.11Å |
| 323 | R | 81.5 | Confident | 80.1 | Confident | 100 Ų | 100 | 101.1 Ų | 101.1 | 38% | 0.377 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67 | -46 | 175.8 | -174.6 | -174.6 | -59.8 | 167.5 | 6.4 | 111.2 | L297 T319 P320 A325 K326 I327 | L297-R323 HydrophobicContact CD2-CG 4.43Å; L297-R323 WeakPolarHBondContact O-CD 3.35Å; T319-R323 PolarHBondContact O-N 3.16Å; P320-R323 PolarHBondContact O-N 2.93Å; R323-A325 PolarHBondContact O-N 2.91Å; R323-K326 PolarHBondContact O-N 2.72Å; R323-I327 HydrophobicContact CG-CD1 4.11Å; R323-I327 WeakPolarHBondContact O-CG1 3.44Å; R323-I327 PolarHBondContact O-N 2.94Å |
| 324 | E | 86.4 | Confident | 82 | Confident | 141 Ų | 141 | 93.1 Ų | 93.1 | 66% | 0.659 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.4 | -43.2 | 177.8 | -171 | 173.2 | -175.1 | 0 | 0 | 111.5 | P320 K326 I327 K328 | P320-E324 WeakPolarHBondContact O-CB 3.47Å; P320-E324 PolarHBondContact O-N 3.36Å; E324-K326 VanDerWaalsContact C-N 3.34Å; E324-K326 PolarHBondContact O-N 2.95Å; E324-I327 PolarHBondContact O-N 3.33Å; E324-K328 PolarHBondContact O-N 3Å |
| 325 | A | 88.8 | Confident | 84 | Confident | 57 Ų | 57 | 91.8 Ų | 91.8 | 47% | 0.471 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E321 R323 K328 V329 | E321-A325 WeakPolarHBondContact O-CB 3.48Å; E321-A325 PolarHBondContact O-N 2.96Å; R323-A325 PolarHBondContact O-N 2.91Å; A325-K328 PolarHBondContact O-N 3.05Å; A325-V329 WeakPolarHBondContact O-CG2 3.43Å; A325-V329 PolarHBondContact O-N 2.88Å; A325-V329 VanDerWaalsContact O-N 3.09Å |
| 326 | K | 88.4 | Confident | 85.7 | Confident | 94 Ų | 94 | 89.5 Ų | 89.5 | 41% | 0.409 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.4 | -39.6 | 176.3 | -76 | 179.9 | -177.7 | -169.9 | 0 | 113 | L297 E318 Q322 R323 E324 K328 V329 L330 | L297-K326 HydrophobicContact CD1-CB 4.34Å; E318-K326 VanDerWaalsContact CD-NZ 3.29Å; E318-K326 IonicContact OE1-NZ 2.66Å; E318-K326 PolarHBondContact OE1-NZ 3.47Å; E318-K326 IonicContact OE2-NZ 2.73Å; E318-K326 PolarHBondContact OE2-NZ 3.39Å; Q322-K326 WeakPolarHBondContact O-CG 3.39Å; Q322-K326 PolarHBondContact O-N 3.4Å; Q322-K326 VanDerWaalsContact O-N 3.11Å; R323-K326 PolarHBondContact O-N 2.72Å; E324-K326 VanDerWaalsContact C-N 3.34Å; E324-K326 PolarHBondContact O-N 2.95Å; K326-K328 VanDerWaalsContact C-N 3.34Å; K326-V329 PolarHBondContact O-N 3.36Å; K326-L330 WeakPolarHBondContact O-CB 3.48Å; K326-L330 WeakPolarHBondContact O-CG 3.47Å; K326-L330 PolarHBondContact O-N 2.77Å |
| 327 | I | 89.5 | Confident | 87.6 | Confident | 30 Ų | 30 | 87.5 Ų | 87.5 | 15% | 0.154 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -59.7 | -49.3 | 174.7 | -72.2 | 167.9 | 0 | 0 | 0 | 109.1 | L297 A298 R323 E324 V329 L330 E331 | L297-I327 HydrophobicContact CB-CD1 4.07Å; L297-I327 HydrophobicContact CB-CG1 3.75Å; L297-I327 HydrophobicContact CD1-CG1 4.45Å; A298-I327 HydrophobicContact CB-CD1 4.37Å; R323-I327 HydrophobicContact CG-CD1 4.11Å; R323-I327 WeakPolarHBondContact O-CG1 3.44Å; R323-I327 PolarHBondContact O-N 2.94Å; E324-I327 PolarHBondContact O-N 3.33Å; I327-V329 VanDerWaalsContact C-N 3.35Å; I327-V329 PolarHBondContact O-N 3.08Å; I327-L330 CarbonylContact O-C 3.57Å; I327-L330 WeakPolarHBondContact O-CB 3.22Å; I327-L330 PolarHBondContact O-N 3.39Å; I327-E331 HydrophobicContact CG2-CG 4.25Å; I327-E331 WeakPolarHBondContact O-CG 3.37Å; I327-E331 PolarHBondContact O-N 3.06Å |
| 328 | K | 93.3 | Very high | 89.2 | Confident | 127 Ų | 127 | 83.2 Ų | 83.2 | 55% | 0.552 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -58.1 | -44.2 | 179.1 | -170.4 | 179.4 | 177.1 | -176.9 | 0 | 112.9 | E324 A325 K326 L330 E331 E332 | E324-K328 PolarHBondContact O-N 3Å; A325-K328 PolarHBondContact O-N 3.05Å; K326-K328 VanDerWaalsContact C-N 3.34Å; K328-L330 VanDerWaalsContact C-N 3.34Å; K328-L330 PolarHBondContact O-N 2.75Å; K328-E331 PolarHBondContact O-N 3.29Å; K328-E332 WeakPolarHBondContact O-CG 3.22Å; K328-E332 PolarHBondContact O-N 3.01Å |
| 329 | V | 94.4 | Very high | 90.6 | Very high | 73 Ų | 73 | 85.2 Ų | 85.2 | 44% | 0.442 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 175.4 | 171.7 | 0 | 0 | 0 | 0 | 111.6 | A325 K326 I327 E332 Q333 | A325-V329 WeakPolarHBondContact O-CG2 3.43Å; A325-V329 PolarHBondContact O-N 2.88Å; A325-V329 VanDerWaalsContact O-N 3.09Å; K326-V329 PolarHBondContact O-N 3.36Å; I327-V329 VanDerWaalsContact C-N 3.35Å; I327-V329 PolarHBondContact O-N 3.08Å; V329-E332 PolarHBondContact O-N 2.97Å; V329-Q333 VanDerWaalsContact O-CG 3.3Å; V329-Q333 WeakPolarHBondContact O-CG 3.44Å; V329-Q333 PolarHBondContact O-N 3.33Å |
| 330 | L | 93.2 | Very high | 91.5 | Very high | 18 Ų | 18 | 87.5 Ų | 87.5 | 9% | 0.094 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67.7 | -38.1 | 176.4 | -77.4 | 169.5 | 0 | 0 | 0 | 112.1 | Q293 C294 L297 K326 I327 K328 Q333 I334 | Q293-L330 HydrophobicContact CB-CD1 4.3Å; C294-L330 HydrophobicContact CB-CB 4.25Å; C294-L330 HydrophobicContact CB-CD1 4.44Å; L297-L330 HydrophobicContact CD1-CD1 3.56Å; K326-L330 WeakPolarHBondContact O-CB 3.48Å; K326-L330 WeakPolarHBondContact O-CG 3.47Å; K326-L330 PolarHBondContact O-N 2.77Å; I327-L330 CarbonylContact O-C 3.57Å; I327-L330 WeakPolarHBondContact O-CB 3.22Å; I327-L330 PolarHBondContact O-N 3.39Å; K328-L330 VanDerWaalsContact C-N 3.34Å; K328-L330 PolarHBondContact O-N 2.75Å; L330-Q333 PolarHBondContact O-N 3.26Å; L330-I334 WeakPolarHBondContact O-CB 3.35Å; L330-I334 WeakPolarHBondContact O-CD1 3.32Å; L330-I334 WeakPolarHBondContact O-CG1 3.31Å; L330-I334 PolarHBondContact O-N 3.31Å |
| 331 | E | 95.4 | Very high | 92.4 | Very high | 107 Ų | 107 | 84.7 Ų | 84.7 | 50% | 0.5 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 174.6 | -73.1 | 174.2 | 162.4 | 0 | 0 | 111.2 | I327 K328 Q333 I334 Q335 | I327-E331 HydrophobicContact CG2-CG 4.25Å; I327-E331 WeakPolarHBondContact O-CG 3.37Å; I327-E331 PolarHBondContact O-N 3.06Å; K328-E331 PolarHBondContact O-N 3.29Å; E331-Q333 PolarHBondContact O-N 3.32Å; E331-I334 PolarHBondContact O-N 3.32Å; E331-Q335 PolarHBondContact O-N 2.96Å |
| 332 | E | 96 | Very high | 93 | Very high | 102 Ų | 102 | 86.4 Ų | 86.4 | 48% | 0.477 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.6 | -47.2 | 173.6 | -72.1 | 171.3 | -172.2 | 0 | 0 | 111 | K328 V329 I334 Q335 E336 | K328-E332 WeakPolarHBondContact O-CG 3.22Å; K328-E332 PolarHBondContact O-N 3.01Å; V329-E332 PolarHBondContact O-N 2.97Å; E332-I334 VanDerWaalsContact C-N 3.32Å; E332-I334 PolarHBondContact O-N 3.37Å; E332-Q335 PolarHBondContact O-N 3.06Å; E332-E336 WeakPolarHBondContact O-CG 3.24Å; E332-E336 PolarHBondContact O-N 3.41Å |
| 333 | Q | 95.4 | Very high | 93.6 | Very high | 72 Ų | 72 | 84.1 Ų | 84.1 | 34% | 0.336 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66 | -29.9 | 176.9 | -71.7 | 178 | 5.3 | 0 | 0 | 114.1 | K290 V329 L330 E331 G337 | K290-Q333 HydrophobicContact CD-CB 4.25Å; V329-Q333 VanDerWaalsContact O-CG 3.3Å; V329-Q333 WeakPolarHBondContact O-CG 3.44Å; V329-Q333 PolarHBondContact O-N 3.33Å; L330-Q333 PolarHBondContact O-N 3.26Å; E331-Q333 PolarHBondContact O-N 3.32Å; Q333-G337 PolarHBondContact O-N 3.25Å |
| 334 | I | 97 | Very high | 94.3 | Very high | 22 Ų | 22 | 82 Ų | 82 | 11% | 0.113 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -69.3 | -45.3 | 174.5 | -75.4 | 162.1 | 0 | 0 | 0 | 109.2 | L287 K290 K291 C294 L330 E331 E332 G337 E338 | L287-I334 HydrophobicContact CD1-CB 4.32Å; L287-I334 HydrophobicContact CD1-CG1 4.44Å; L287-I334 HydrophobicContact CD1-CG2 4Å; L287-I334 WeakPolarHBondContact CD1-O 3.47Å; K290-I334 HydrophobicContact CB-CG1 3.88Å; K291-I334 HydrophobicContact CG-CD1 4Å; K291-I334 HydrophobicContact CG-CG1 4.07Å; K291-I334 HydrophobicContact CG-CG2 3.98Å; C294-I334 HydrophobicContact CB-CD1 3.76Å; L330-I334 WeakPolarHBondContact O-CB 3.35Å; L330-I334 WeakPolarHBondContact O-CD1 3.32Å; L330-I334 WeakPolarHBondContact O-CG1 3.31Å; L330-I334 PolarHBondContact O-N 3.31Å; E331-I334 PolarHBondContact O-N 3.32Å; E332-I334 VanDerWaalsContact C-N 3.32Å; E332-I334 PolarHBondContact O-N 3.37Å; I334-G337 PolarHBondContact O-N 3.47Å; I334-E338 WeakPolarHBondContact O-CG 3.46Å; I334-E338 PolarHBondContact O-N 2.92Å |
| 335 | Q | 97.1 | Very high | 94.7 | Very high | 115 Ų | 115 | 78.5 Ų | 78.5 | 54% | 0.537 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.2 | -48.9 | 177 | -175.6 | 179 | -10.4 | 0 | 0 | 111.1 | E331 E332 G337 E338 E339 | E331-Q335 PolarHBondContact O-N 2.96Å; E332-Q335 PolarHBondContact O-N 3.06Å; Q335-G337 VanDerWaalsContact C-N 3.3Å; Q335-G337 PolarHBondContact O-N 3.31Å; Q335-E338 PolarHBondContact O-N 3.46Å; Q335-E339 PolarHBondContact O-N 3.29Å |
| 336 | E | 95.9 | Very high | 95 | Very high | 134 Ų | 134 | 79.8 Ų | 79.8 | 63% | 0.626 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -58.5 | -42.1 | 174.5 | -71.2 | 179.7 | 174.5 | 0 | 0 | 111.9 | E332 E339 Q340 | E332-E336 WeakPolarHBondContact O-CG 3.24Å; E332-E336 PolarHBondContact O-N 3.41Å; E336-E339 PolarHBondContact O-N 3.1Å; E336-Q340 WeakPolarHBondContact O-CB 3.37Å; E336-Q340 PolarHBondContact O-N 3.46Å |
| 337 | G | 96.4 | Very high | 95.3 | Very high | 7 Ų | 7 | 80 Ų | 80 | 7% | 0.072 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.3 | -36.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q333 I334 Q335 L341 | Q333-G337 PolarHBondContact O-N 3.25Å; I334-G337 PolarHBondContact O-N 3.47Å; Q335-G337 VanDerWaalsContact C-N 3.3Å; Q335-G337 PolarHBondContact O-N 3.31Å; G337-L341 VanDerWaalsContact O-CB 3.28Å; G337-L341 WeakPolarHBondContact O-CB 3.29Å; G337-L341 PolarHBondContact O-N 2.94Å |
| 338 | E | 97.1 | Very high | 95.6 | Very high | 90 Ų | 90 | 79.6 Ų | 79.6 | 42% | 0.421 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.8 | -44.6 | 174 | -76.6 | -178.5 | 167.9 | 0 | 0 | 111.9 | L287 K291 I334 Q335 L341 K342 | L287-E338 HydrophobicContact CD1-CG 4.08Å; L287-E338 HydrophobicContact CD2-CG 3.76Å; K291-E338 WeakPolarHBondContact CE-OE1 3.46Å; K291-E338 IonicContact NZ-OE1 2.98Å; K291-E338 PolarHBondContact NZ-OE1 3.35Å; I334-E338 WeakPolarHBondContact O-CG 3.46Å; I334-E338 PolarHBondContact O-N 2.92Å; Q335-E338 PolarHBondContact O-N 3.46Å; E338-L341 PolarHBondContact O-N 2.9Å; E338-K342 WeakPolarHBondContact O-CB 3.44Å; E338-K342 PolarHBondContact O-N 2.83Å |
| 339 | E | 96.6 | Very high | 95.7 | Very high | 120 Ų | 120 | 81.4 Ų | 81.4 | 56% | 0.561 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62.9 | -44.5 | 175.5 | -70.8 | -179.4 | -170.5 | 0 | 0 | 111.4 | Q335 E336 L341 K342 S343 | Q335-E339 PolarHBondContact O-N 3.29Å; E336-E339 PolarHBondContact O-N 3.1Å; E339-L341 PolarHBondContact O-N 3.22Å; E339-K342 WeakPolarHBondContact O-CB 3.41Å; E339-K342 PolarHBondContact O-N 3.46Å; E339-S343 PolarHBondContact O-N 2.9Å |
| 340 | Q | 95.1 | Very high | 95.8 | Very high | 104 Ų | 104 | 81.9 Ų | 81.9 | 49% | 0.486 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 175.8 | -171.6 | -178 | 34.1 | 0 | 0 | 111.8 | E336 K342 S343 K344 | E336-Q340 WeakPolarHBondContact O-CB 3.37Å; E336-Q340 PolarHBondContact O-N 3.46Å; Q340-K342 VanDerWaalsContact C-N 3.31Å; Q340-K342 PolarHBondContact O-N 2.87Å; Q340-S343 PolarHBondContact O-N 3.43Å; Q340-K344 HydrophobicContact CG-CD 4.48Å; Q340-K344 WeakPolarHBondContact O-CG 3.3Å; Q340-K344 PolarHBondContact O-N 3.31Å |
| 341 | L | 96.1 | Very high | 95.9 | Very high | 34 Ų | 34 | 81.7 Ų | 81.7 | 18% | 0.178 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 178.1 | -172.5 | 67.9 | 0 | 0 | 0 | 111.2 | L280 A283 A284 L287 G337 E338 E339 N345 | L280-L341 HydrophobicContact CD1-CD1 3.61Å; L280-L341 HydrophobicContact CG-CD1 4.35Å; A283-L341 HydrophobicContact CB-CD1 4.25Å; A284-L341 HydrophobicContact CB-CD1 3.86Å; A284-L341 HydrophobicContact CB-CD2 4.37Å; L287-L341 HydrophobicContact CD2-CD2 3.92Å; G337-L341 VanDerWaalsContact O-CB 3.28Å; G337-L341 WeakPolarHBondContact O-CB 3.29Å; G337-L341 PolarHBondContact O-N 2.94Å; E338-L341 PolarHBondContact O-N 2.9Å; E339-L341 PolarHBondContact O-N 3.22Å; L341-N345 WeakPolarHBondContact O-CB 3.37Å; L341-N345 PolarHBondContact O-N 2.97Å; L341-N345 PolarHBondContact O-ND2 3.25Å |
| 342 | K | 96.3 | Very high | 96 | Very high | 163 Ų | 163 | 77.6 Ų | 77.6 | 71% | 0.709 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.3 | -43.5 | 175 | -169.1 | -179.7 | -179.3 | -177.8 | 0 | 111.7 | E338 E339 Q340 N345 L346 | E338-K342 WeakPolarHBondContact O-CB 3.44Å; E338-K342 PolarHBondContact O-N 2.83Å; E339-K342 WeakPolarHBondContact O-CB 3.41Å; E339-K342 PolarHBondContact O-N 3.46Å; Q340-K342 VanDerWaalsContact C-N 3.31Å; Q340-K342 PolarHBondContact O-N 2.87Å; K342-N345 PolarHBondContact O-N 3.27Å; K342-L346 PolarHBondContact O-N 3.33Å |
| 343 | S | 95.9 | Very high | 96 | Very high | 57 Ų | 57 | 80.3 Ų | 80.3 | 40% | 0.399 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61 | -52.1 | 175.4 | -166.3 | 0 | 0 | 0 | 0 | 111.6 | E339 Q340 N345 L346 E347 | E339-S343 PolarHBondContact O-N 2.9Å; Q340-S343 PolarHBondContact O-N 3.43Å; S343-N345 VanDerWaalsContact C-N 3.29Å; S343-N345 PolarHBondContact O-N 3.05Å; S343-L346 WeakPolarHBondContact O-CB 3.31Å; S343-L346 PolarHBondContact O-N 3.31Å; S343-E347 WeakPolarHBondContact O-CG 3.33Å; S343-E347 PolarHBondContact O-N 2.97Å; S343-E347 PolarHBondContact OG-OE1 3.4Å |
| 344 | K | 95.2 | Very high | 96.1 | Very high | 54 Ų | 54 | 79.2 Ų | 79.2 | 24% | 0.235 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.9 | -38.5 | 179.4 | -75.2 | -175.8 | 173.5 | -67.4 | 0 | 112.6 | L280 A283 Q340 G348 | L280-K344 HydrophobicContact CD1-CB 3.67Å; A283-K344 HydrophobicContact CB-CD 4.12Å; Q340-K344 HydrophobicContact CG-CD 4.48Å; Q340-K344 WeakPolarHBondContact O-CG 3.3Å; Q340-K344 PolarHBondContact O-N 3.31Å; K344-G348 PolarHBondContact O-N 3.46Å |
| 345 | N | 94.8 | Very high | 96.2 | Very high | 68 Ų | 68 | 78.1 Ų | 78.1 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 174.5 | -89.2 | -57.6 | 0 | 0 | 0 | 112.4 | L280 L341 K342 S343 R349 | L280-N345 HydrophobicContact CD1-CB 4.34Å; L280-N345 WeakPolarHBondContact CD2-OD1 3.07Å; L341-N345 WeakPolarHBondContact O-CB 3.37Å; L341-N345 PolarHBondContact O-N 2.97Å; L341-N345 PolarHBondContact O-ND2 3.25Å; K342-N345 PolarHBondContact O-N 3.27Å; S343-N345 VanDerWaalsContact C-N 3.29Å; S343-N345 PolarHBondContact O-N 3.05Å; N345-R349 WeakPolarHBondContact O-CG 3.29Å; N345-R349 PolarHBondContact O-N 2.66Å; N345-R349 VanDerWaalsContact O-N 3.13Å |
| 346 | L | 96.4 | Very high | 96.2 | Very high | 84 Ų | 84 | 75.8 Ų | 75.8 | 44% | 0.44 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.1 | -50.3 | 176.2 | -178.5 | 63 | 0 | 0 | 0 | 110.8 | K342 S343 G348 R349 D350 | K342-L346 PolarHBondContact O-N 3.33Å; S343-L346 WeakPolarHBondContact O-CB 3.31Å; S343-L346 PolarHBondContact O-N 3.31Å; L346-G348 VanDerWaalsContact C-N 3.3Å; L346-G348 PolarHBondContact O-N 3.35Å; L346-R349 PolarHBondContact O-N 3.34Å; L346-R349 VanDerWaalsContact O-N 3.11Å; L346-D350 PolarHBondContact O-N 2.81Å |
| 347 | E | 94.9 | Very high | 96.2 | Very high | 99 Ų | 99 | 72.6 Ų | 72.6 | 46% | 0.463 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -55.3 | -43.6 | 176.2 | -70.8 | 166.4 | -142.1 | 0 | 0 | 112.1 | M276 S343 D350 F351 | M276-E347 HydrophobicContact CE-CB 4.12Å; S343-E347 WeakPolarHBondContact O-CG 3.33Å; S343-E347 PolarHBondContact O-N 2.97Å; S343-E347 PolarHBondContact OG-OE1 3.4Å; E347-D350 PolarHBondContact O-N 2.86Å; E347-F351 VanDerWaalsContact O-CB 3.31Å; E347-F351 WeakPolarHBondContact O-CB 3.46Å; E347-F351 PolarHBondContact O-N 2.83Å |
| 348 | G | 94.4 | Very high | 96.3 | Very high | 21 Ų | 21 | 72.7 Ų | 72.7 | 22% | 0.216 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.5 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K344 L346 F351 V352 | K344-G348 PolarHBondContact O-N 3.46Å; L346-G348 VanDerWaalsContact C-N 3.3Å; L346-G348 PolarHBondContact O-N 3.35Å; G348-F351 PolarHBondContact O-N 3.31Å; G348-V352 VanDerWaalsContact O-CG2 3.25Å; G348-V352 WeakPolarHBondContact O-CG2 3.38Å; G348-V352 PolarHBondContact O-N 2.99Å |
| 349 | R | 95.3 | Very high | 96.3 | Very high | 166 Ų | 166 | 68.4 Ų | 68.4 | 63% | 0.626 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65.4 | -42.2 | 177.4 | -73.2 | -173.8 | -61.1 | 160.3 | 2.9 | 112.2 | N345 L346 V352 K353 | N345-R349 WeakPolarHBondContact O-CG 3.29Å; N345-R349 PolarHBondContact O-N 2.66Å; N345-R349 VanDerWaalsContact O-N 3.13Å; L346-R349 PolarHBondContact O-N 3.34Å; L346-R349 VanDerWaalsContact O-N 3.11Å; R349-V352 PolarHBondContact O-N 3.1Å; R349-K353 WeakPolarHBondContact O-CB 3.34Å; R349-K353 PolarHBondContact O-N 3.49Å |
| 350 | D | 96.6 | Very high | 96.4 | Very high | 83 Ų | 83 | 66.2 Ų | 66.2 | 44% | 0.444 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.4 | -39.3 | 178.8 | -70.7 | -20.9 | 0 | 0 | 0 | 111.6 | L346 E347 K353 S354 | L346-D350 PolarHBondContact O-N 2.81Å; E347-D350 PolarHBondContact O-N 2.86Å; D350-K353 PolarHBondContact O-N 3.23Å; D350-S354 WeakPolarHBondContact O-CB 3.46Å; D350-S354 PolarHBondContact O-N 3.38Å; D350-S354 PolarHBondContact O-OG 3.44Å |
| 351 | F | 96.8 | Very high | 96.4 | Very high | 14 Ų | 14 | 64 Ų | 64 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.8 | -53.2 | 171.2 | 176.2 | -85.6 | 0 | 0 | 0 | 111 | P74 H75 F172 V269 K272 H273 M276 E347 G348 K353 S354 A355 | P74-F351 HydrophobicContact CB-CE2 4.46Å; P74-F351 WeakPolarHBondContact O-CE2 3.22Å; H75-F351 HydrophobicContact CB-CD2 3.93Å; H75-F351 HydrophobicContact CB-CE2 3.83Å; H75-F351 HydrophobicContact CB-CZ 4.47Å; F172-F351 HydrophobicContact CE1-CE1 4.24Å; F172-F351 HydrophobicContact CZ-CE1 4.1Å; V269-F351 HydrophobicContact CG1-CZ 4Å; K272-F351 HydrophobicContact CB-CE2 4.13Å; K272-F351 HydrophobicContact CB-CZ 3.98Å; K272-F351 HydrophobicContact CG-CD2 4.4Å; K272-F351 HydrophobicContact CG-CE2 3.61Å; K272-F351 HydrophobicContact CG-CZ 3.93Å; H273-F351 HydrophobicContact CB-CD1 4.49Å; H273-F351 HydrophobicContact CB-CE1 3.74Å; H273-F351 HydrophobicContact CB-CZ 4.43Å; M276-F351 HydrophobicContact CE-CB 3.82Å; M276-F351 HydrophobicContact CE-CG 4.26Å; M276-F351 HydrophobicContact SD-CB 3.82Å; M276-F351 HydrophobicContact SD-CD1 4.15Å; M276-F351 HydrophobicContact SD-CD2 3.63Å; M276-F351 HydrophobicContact SD-CE2 4.25Å; M276-F351 HydrophobicContact SD-CG 3.57Å; M276-F351 VanDerWaalsContact SD-CG 3.57Å; E347-F351 VanDerWaalsContact O-CB 3.31Å; E347-F351 WeakPolarHBondContact O-CB 3.46Å; E347-F351 PolarHBondContact O-N 2.83Å; G348-F351 PolarHBondContact O-N 3.31Å; F351-K353 VanDerWaalsContact C-N 3.31Å; F351-K353 PolarHBondContact O-N 3.04Å; F351-S354 PolarHBondContact O-N 3.26Å; F351-A355 HydrophobicContact CD1-CB 4.4Å; F351-A355 HydrophobicContact CE1-CB 3.99Å; F351-A355 HydrophobicContact CZ-CB 4.23Å; F351-A355 WeakPolarHBondContact O-CB 3.32Å; F351-A355 PolarHBondContact O-N 2.89Å |
| 352 | V | 96.6 | Very high | 96.5 | Very high | 20 Ų | 20 | 62.6 Ų | 62.6 | 12% | 0.121 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.2 | -44.9 | -178.6 | 166.3 | 0 | 0 | 0 | 0 | 111.1 | F172 G348 R349 W356 | F172-V352 HydrophobicContact CE2-CG1 4.35Å; F172-V352 HydrophobicContact CE2-CG2 4Å; F172-V352 HydrophobicContact CZ-CG2 4.49Å; G348-V352 VanDerWaalsContact O-CG2 3.25Å; G348-V352 WeakPolarHBondContact O-CG2 3.38Å; G348-V352 PolarHBondContact O-N 2.99Å; R349-V352 PolarHBondContact O-N 3.1Å; V352-W356 VanDerWaalsContact O-CB 3.3Å; V352-W356 WeakPolarHBondContact O-CB 3.24Å; V352-W356 PolarHBondContact O-N 3.32Å |
| 353 | K | 96.8 | Very high | 96.5 | Very high | 159 Ų | 159 | 57.6 Ų | 57.6 | 69% | 0.691 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60.6 | -48.3 | 177.8 | -178.9 | -176.4 | 175.9 | -173.7 | 0 | 111.6 | R349 D350 F351 A357 | R349-K353 WeakPolarHBondContact O-CB 3.34Å; R349-K353 PolarHBondContact O-N 3.49Å; D350-K353 PolarHBondContact O-N 3.23Å; F351-K353 VanDerWaalsContact C-N 3.31Å; F351-K353 PolarHBondContact O-N 3.04Å; K353-A357 PolarHBondContact O-N 2.95Å |
| 354 | S | 97.4 | Very high | 96.5 | Very high | 49 Ų | 49 | 61.4 Ų | 61.4 | 34% | 0.343 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -70.7 | -42.4 | -176.1 | -51.7 | 0 | 0 | 0 | 0 | 111.5 | D350 F351 A357 D358 | D350-S354 WeakPolarHBondContact O-CB 3.46Å; D350-S354 PolarHBondContact O-N 3.38Å; D350-S354 PolarHBondContact O-OG 3.44Å; F351-S354 PolarHBondContact O-N 3.26Å; S354-A357 PolarHBondContact O-N 3.33Å; S354-D358 PolarHBondContact O-N 2.83Å; S354-D358 VanDerWaalsContact O-N 3.1Å |
| 355 | A | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | H75 F172 V269 F351 A357 D358 I359 | H75-A355 HydrophobicContact CB-CB 3.96Å; H75-A355 VanDerWaalsContact O-CA 3.28Å; H75-A355 WeakPolarHBondContact O-CA 3.41Å; F172-A355 HydrophobicContact CZ-CB 4.21Å; V269-A355 HydrophobicContact CG1-CB 3.94Å; F351-A355 HydrophobicContact CD1-CB 4.4Å; F351-A355 HydrophobicContact CE1-CB 3.99Å; F351-A355 HydrophobicContact CZ-CB 4.23Å; F351-A355 WeakPolarHBondContact O-CB 3.32Å; F351-A355 PolarHBondContact O-N 2.89Å; A355-A357 PolarHBondContact O-N 3.49Å; A355-D358 WeakPolarHBondContact O-CB 3.4Å; A355-D358 PolarHBondContact O-N 3.17Å; A355-I359 HydrophobicContact CB-CD1 4.45Å; A355-I359 WeakPolarHBondContact O-CB 3.08Å; A355-I359 VanDerWaalsContact O-CD1 3.3Å; A355-I359 WeakPolarHBondContact O-CD1 3.45Å; A355-I359 WeakPolarHBondContact O-CG1 3.25Å; A355-I359 PolarHBondContact O-N 3.49Å |
| 356 | W | 96.9 | Very high | 96.6 | Very high | 66 Ų | 66 | 58 Ų | 58 | 25% | 0.25 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.4 | -38.6 | -179.1 | -155.5 | -102 | 0 | 0 | 0 | 112.7 | R171 L175 V352 D358 I359 E360 | R171-W356 HydrophobicContact CB-CH2 3.85Å; R171-W356 HydrophobicContact CB-CZ3 3.85Å; R171-W356 HydrophobicContact CG-CH2 4.42Å; L175-W356 HydrophobicContact CD2-CZ3 4.5Å; V352-W356 VanDerWaalsContact O-CB 3.3Å; V352-W356 WeakPolarHBondContact O-CB 3.24Å; V352-W356 PolarHBondContact O-N 3.32Å; W356-D358 VanDerWaalsContact C-N 3.28Å; W356-D358 PolarHBondContact O-N 3.49Å; W356-I359 HydrophobicContact CE3-CD1 3.83Å; W356-I359 HydrophobicContact CZ3-CD1 4.19Å; W356-I359 PolarHBondContact O-N 2.9Å; W356-E360 WeakPolarHBondContact O-CG 3.45Å; W356-E360 PolarHBondContact O-N 3.21Å |
| 357 | A | 97.2 | Very high | 96.6 | Very high | 66 Ų | 66 | 58.4 Ų | 58.4 | 55% | 0.545 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60 | -40.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K353 S354 A355 R361 | K353-A357 PolarHBondContact O-N 2.95Å; S354-A357 PolarHBondContact O-N 3.33Å; A355-A357 PolarHBondContact O-N 3.49Å; A357-R361 PolarHBondContact O-N 3.37Å |
| 358 | D | 98.3 | Very high | 96.6 | Very high | 9 Ų | 9 | 58.5 Ų | 58.5 | 5% | 0.048 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.6 | -42.2 | 177.4 | -164.3 | 67.7 | 0 | 0 | 0 | 113.1 | I76 V77 H120 S354 A355 W356 E360 R361 F362 | I76-D358 WeakPolarHBondContact CA-OD2 3.34Å; V77-D358 PolarHBondContact N-OD2 2.98Å; H120-D358 IonicContact CE1-OD1 3.62Å; H120-D358 IonicContact NE2-OD1 2.77Å; H120-D358 PolarHBondContact NE2-OD1 3.48Å; S354-D358 PolarHBondContact O-N 2.83Å; S354-D358 VanDerWaalsContact O-N 3.1Å; A355-D358 WeakPolarHBondContact O-CB 3.4Å; A355-D358 PolarHBondContact O-N 3.17Å; W356-D358 VanDerWaalsContact C-N 3.28Å; W356-D358 PolarHBondContact O-N 3.49Å; D358-E360 VanDerWaalsContact C-N 3.34Å; D358-E360 PolarHBondContact O-N 3.32Å; D358-R361 PolarHBondContact O-N 3.23Å; D358-R361 IonicContact OD1-CZ 3.85Å; D358-R361 IonicContact OD1-NE 2.73Å; D358-R361 IonicContact OD1-NH2 4Å; D358-R361 PolarHBondContact OD1-NH2 3.1Å; D358-F362 PolarHBondContact O-N 3.26Å |
| 359 | I | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 177.1 | -72.6 | 156.6 | 0 | 0 | 0 | 111.1 | V77 F172 L175 A355 W356 F362 K363 | V77-I359 HydrophobicContact CG2-CG1 4.27Å; F172-I359 HydrophobicContact CE1-CD1 4.45Å; L175-I359 HydrophobicContact CD1-CG2 4.17Å; L175-I359 HydrophobicContact CD2-CD1 3.36Å; L175-I359 HydrophobicContact CD2-CG1 3.98Å; L175-I359 HydrophobicContact CD2-CG2 4.34Å; A355-I359 HydrophobicContact CB-CD1 4.45Å; A355-I359 WeakPolarHBondContact O-CB 3.08Å; A355-I359 VanDerWaalsContact O-CD1 3.3Å; A355-I359 WeakPolarHBondContact O-CD1 3.45Å; A355-I359 WeakPolarHBondContact O-CG1 3.25Å; A355-I359 PolarHBondContact O-N 3.49Å; W356-I359 HydrophobicContact CE3-CD1 3.83Å; W356-I359 HydrophobicContact CZ3-CD1 4.19Å; W356-I359 PolarHBondContact O-N 2.9Å; I359-F362 PolarHBondContact O-N 3.11Å; I359-K363 HydrophobicContact CG2-CD 4.38Å; I359-K363 WeakPolarHBondContact O-CG 3.39Å; I359-K363 PolarHBondContact O-N 2.91Å |
| 360 | E | 97 | Very high | 96.6 | Very high | 74 Ų | 74 | 52.1 Ų | 52.1 | 35% | 0.346 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 176.5 | -71.2 | -54.2 | 141.3 | 0 | 0 | 111.6 | W356 D358 F362 K363 E364 | W356-E360 WeakPolarHBondContact O-CG 3.45Å; W356-E360 PolarHBondContact O-N 3.21Å; D358-E360 VanDerWaalsContact C-N 3.34Å; D358-E360 PolarHBondContact O-N 3.32Å; E360-F362 VanDerWaalsContact C-N 3.31Å; E360-F362 PolarHBondContact O-N 3.28Å; E360-K363 WeakPolarHBondContact O-CB 3.32Å; E360-K363 PolarHBondContact O-N 3.43Å; E360-K363 VanDerWaalsContact O-N 3.16Å; E360-K363 IonicContact OE1-NZ 3.19Å; E360-K363 PolarHBondContact OE1-NZ 3.42Å; E360-K363 IonicContact OE2-NZ 3.38Å; E360-E364 PolarHBondContact O-N 2.94Å; E360-E364 VanDerWaalsContact O-N 3.1Å |
| 361 | R | 96.9 | Very high | 96.5 | Very high | 58 Ų | 58 | 54.9 Ų | 54.9 | 22% | 0.219 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 172.5 | 176.6 | -85.7 | -60.3 | -110.8 | -25.5 | 111.7 | H120 A357 D358 K363 E364 Q365 | H120-R361 VanDerWaalsContact CD2-CZ 3.46Å; H120-R361 PolarHBondContact CD2-NH1 2.76Å; H120-R361 PolarHBondContact CD2-NH2 3.46Å; H120-R361 PolarHBondContact CE1-NH2 3.09Å; H120-R361 VanDerWaalsContact CG-NH1 3.35Å; H120-R361 PolarHBondContact ND1-NH2 2.98Å; H120-R361 PolarHBondContact NE2-NH2 2.67Å; A357-R361 PolarHBondContact O-N 3.37Å; D358-R361 PolarHBondContact O-N 3.23Å; D358-R361 IonicContact OD1-CZ 3.85Å; D358-R361 IonicContact OD1-NE 2.73Å; D358-R361 IonicContact OD1-NH2 4Å; D358-R361 PolarHBondContact OD1-NH2 3.1Å; R361-K363 VanDerWaalsContact C-N 3.3Å; R361-K363 PolarHBondContact O-N 2.85Å; R361-E364 PolarHBondContact O-N 3.35Å; R361-Q365 PolarHBondContact O-N 2.7Å; R361-Q365 VanDerWaalsContact O-N 3.08Å |
| 362 | F | 97.1 | Very high | 96.4 | Very high | 5 Ų | 5 | 59 Ų | 59 | 2% | 0.022 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 177.5 | 168.2 | -97.8 | 0 | 0 | 0 | 111.4 | V77 Y259 Y262 L266 D358 I359 E360 E364 Q365 K366 | V77-F362 HydrophobicContact CB-CB 4.35Å; V77-F362 HydrophobicContact CB-CD2 4.36Å; V77-F362 HydrophobicContact CB-CG 4.29Å; V77-F362 HydrophobicContact CG1-CD1 4.5Å; V77-F362 HydrophobicContact CG1-CD2 3.85Å; V77-F362 HydrophobicContact CG1-CE2 4.15Å; V77-F362 HydrophobicContact CG1-CG 4.04Å; V77-F362 HydrophobicContact CG2-CB 4.21Å; V77-F362 HydrophobicContact CG2-CG 4.3Å; Y259-F362 HydrophobicContact CD1-CZ 4.46Å; Y259-F362 HydrophobicContact CE1-CE2 4.21Å; Y259-F362 HydrophobicContact CE1-CZ 4.36Å; Y262-F362 HydrophobicContact CD1-CD2 4.07Å; Y262-F362 AromaticContact CD1-CE2 3.37Å; Y262-F362 HydrophobicContact CD1-CE2 3.37Å; Y262-F362 HydrophobicContact CD1-CZ 4.12Å; Y262-F362 HydrophobicContact CD2-CE2 4.19Å; Y262-F362 HydrophobicContact CE1-CD2 4.21Å; Y262-F362 AromaticContact CE1-CE2 3.85Å; Y262-F362 HydrophobicContact CE1-CE2 3.85Å; Y262-F362 AromaticContact CG-CE2 3.57Å; Y262-F362 HydrophobicContact CG-CE2 3.57Å; Y262-F362 HydrophobicContact CG-CZ 4.03Å; L266-F362 HydrophobicContact CD1-CE1 3.83Å; L266-F362 HydrophobicContact CD2-CD1 3.88Å; L266-F362 HydrophobicContact CD2-CE1 3.95Å; L266-F362 HydrophobicContact CG-CD1 4.47Å; L266-F362 HydrophobicContact CG-CE1 4.04Å; D358-F362 PolarHBondContact O-N 3.26Å; I359-F362 PolarHBondContact O-N 3.11Å; E360-F362 VanDerWaalsContact C-N 3.31Å; E360-F362 PolarHBondContact O-N 3.28Å; F362-E364 VanDerWaalsContact C-N 3.34Å; F362-E364 PolarHBondContact O-N 3.24Å; F362-Q365 PolarHBondContact O-N 3.45Å; F362-K366 HydrophobicContact CE1-CB 4.13Å; F362-K366 HydrophobicContact CE1-CD 4.09Å; F362-K366 HydrophobicContact CE1-CG 4.31Å; F362-K366 HydrophobicContact CE2-CB 4.28Å; F362-K366 HydrophobicContact CZ-CB 3.95Å; F362-K366 HydrophobicContact CZ-CD 4.26Å; F362-K366 HydrophobicContact CZ-CG 4.06Å; F362-K366 WeakPolarHBondContact O-CB 3.24Å; F362-K366 PolarHBondContact O-N 3.5Å |
| 363 | K | 96.6 | Very high | 96.2 | Very high | 57 Ų | 57 | 58.1 Ų | 58.1 | 25% | 0.248 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 176 | -75.3 | 171.3 | -176.9 | 172.2 | 0 | 111.7 | I359 E360 R361 K366 N367 | I359-K363 HydrophobicContact CG2-CD 4.38Å; I359-K363 WeakPolarHBondContact O-CG 3.39Å; I359-K363 PolarHBondContact O-N 2.91Å; E360-K363 WeakPolarHBondContact O-CB 3.32Å; E360-K363 PolarHBondContact O-N 3.43Å; E360-K363 VanDerWaalsContact O-N 3.16Å; E360-K363 IonicContact OE1-NZ 3.19Å; E360-K363 PolarHBondContact OE1-NZ 3.42Å; E360-K363 IonicContact OE2-NZ 3.38Å; R361-K363 VanDerWaalsContact C-N 3.3Å; R361-K363 PolarHBondContact O-N 2.85Å; K363-K366 PolarHBondContact O-N 2.98Å; K363-N367 VanDerWaalsContact O-CB 3.28Å; K363-N367 WeakPolarHBondContact O-CB 3.43Å; K363-N367 PolarHBondContact O-N 2.92Å; K363-N367 PolarHBondContact O-ND2 3.34Å |
| 364 | E | 96.7 | Very high | 96 | Very high | 138 Ų | 138 | 55 Ų | 55 | 65% | 0.645 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -60 | -50.8 | 176.4 | -69.3 | 177.1 | 172.3 | 0 | 0 | 111.2 | E360 R361 F362 K366 N367 H368 | E360-E364 PolarHBondContact O-N 2.94Å; E360-E364 VanDerWaalsContact O-N 3.1Å; R361-E364 PolarHBondContact O-N 3.35Å; F362-E364 VanDerWaalsContact C-N 3.34Å; F362-E364 PolarHBondContact O-N 3.24Å; E364-K366 PolarHBondContact O-N 2.83Å; E364-N367 PolarHBondContact O-N 3.49Å; E364-H368 WeakPolarHBondContact O-CB 3.4Å; E364-H368 PolarHBondContact O-N 3.23Å |
| 365 | Q | 95.5 | Very high | 95.9 | Very high | 36 Ų | 36 | 57.1 Ų | 57.1 | 17% | 0.168 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.5 | -50.9 | 176.4 | -176.6 | -174.3 | -55.6 | 0 | 0 | 111.7 | R116 R361 F362 N367 H368 D369 | R116-Q365 VanDerWaalsContact NH1-CD 3.32Å; R361-Q365 PolarHBondContact O-N 2.7Å; R361-Q365 VanDerWaalsContact O-N 3.08Å; F362-Q365 PolarHBondContact O-N 3.45Å; Q365-N367 VanDerWaalsContact C-N 3.31Å; Q365-N367 PolarHBondContact O-N 3.03Å; Q365-H368 WeakPolarHBondContact O-CB 3.27Å; Q365-H368 PolarHBondContact O-N 3.35Å; Q365-D369 VanDerWaalsContact O-CG 3.23Å; Q365-D369 PolarHBondContact O-N 3.45Å |
| 366 | K | 95.5 | Very high | 95.6 | Very high | 13 Ų | 13 | 60.2 Ų | 60.2 | 6% | 0.057 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.1 | -39.4 | 179.3 | -177.2 | -142.8 | 63.9 | 66.8 | 0 | 112.4 | Y178 L182 Y259 F362 K363 E364 L370 | Y178-K366 WeakPolarHBondContact OH-CD 3.49Å; Y178-K366 WeakPolarHBondContact OH-CE 3.43Å; L182-K366 HydrophobicContact CD2-CD 4.33Å; Y259-K366 HydrophobicContact CD1-CB 4.2Å; Y259-K366 HydrophobicContact CD1-CG 3.56Å; Y259-K366 HydrophobicContact CE1-CB 3.56Å; Y259-K366 HydrophobicContact CE1-CG 3.46Å; Y259-K366 VanDerWaalsContact CE1-CG 3.46Å; Y259-K366 WeakPolarHBondContact OH-CA 3.37Å; F362-K366 HydrophobicContact CE1-CB 4.13Å; F362-K366 HydrophobicContact CE1-CD 4.09Å; F362-K366 HydrophobicContact CE1-CG 4.31Å; F362-K366 HydrophobicContact CE2-CB 4.28Å; F362-K366 HydrophobicContact CZ-CB 3.95Å; F362-K366 HydrophobicContact CZ-CD 4.26Å; F362-K366 HydrophobicContact CZ-CG 4.06Å; F362-K366 WeakPolarHBondContact O-CB 3.24Å; F362-K366 PolarHBondContact O-N 3.5Å; K363-K366 PolarHBondContact O-N 2.98Å; E364-K366 PolarHBondContact O-N 2.83Å; K366-L370 HydrophobicContact CD-CD1 4.37Å; K366-L370 HydrophobicContact CG-CD1 3.9Å; K366-L370 HydrophobicContact CG-CG 4.46Å; K366-L370 VanDerWaalsContact O-CB 3.28Å; K366-L370 WeakPolarHBondContact O-CB 3.36Å; K366-L370 VanDerWaalsContact O-CG 3.29Å; K366-L370 WeakPolarHBondContact O-CG 3.19Å; K366-L370 PolarHBondContact O-N 3.4Å; K366-L370 VanDerWaalsContact O-N 3.16Å |
| 367 | N | 96.3 | Very high | 95.3 | Very high | 94 Ų | 94 | 60 Ų | 60 | 50% | 0.503 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69 | -41.6 | 177.8 | -74.9 | -16.1 | 0 | 0 | 0 | 111.6 | K363 E364 Q365 K371 | K363-N367 VanDerWaalsContact O-CB 3.28Å; K363-N367 WeakPolarHBondContact O-CB 3.43Å; K363-N367 PolarHBondContact O-N 2.92Å; K363-N367 PolarHBondContact O-ND2 3.34Å; E364-N367 PolarHBondContact O-N 3.49Å; Q365-N367 VanDerWaalsContact C-N 3.31Å; Q365-N367 PolarHBondContact O-N 3.03Å; N367-K371 WeakPolarHBondContact O-CB 3.43Å; N367-K371 PolarHBondContact O-N 3.3Å |
| 368 | H | 95.9 | Very high | 95.1 | Very high | 100 Ų | 100 | 59.1 Ų | 59.1 | 46% | 0.463 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.7 | -56.3 | 176.3 | 179.6 | -89.4 | 0 | 0 | 0 | 111 | E364 Q365 L370 K371 E372 | E364-H368 WeakPolarHBondContact O-CB 3.4Å; E364-H368 PolarHBondContact O-N 3.23Å; Q365-H368 WeakPolarHBondContact O-CB 3.27Å; Q365-H368 PolarHBondContact O-N 3.35Å; H368-L370 PolarHBondContact O-N 3.27Å; H368-K371 WeakPolarHBondContact O-CB 3.49Å; H368-K371 PolarHBondContact O-N 3.35Å; H368-E372 IonicContact CE1-OE1 3.8Å; H368-E372 PolarHBondContact CE1-OE1 3.48Å; H368-E372 IonicContact CE1-OE2 2.94Å; H368-E372 PolarHBondContact CE1-OE2 2.95Å; H368-E372 VanDerWaalsContact CE1-OE2 3.25Å; H368-E372 IonicContact ND1-OE2 3.58Å; H368-E372 IonicContact NE2-OE1 2.8Å; H368-E372 PolarHBondContact NE2-OE1 2.99Å; H368-E372 PolarHBondContact O-N 3.42Å |
| 369 | D | 94.8 | Very high | 94.9 | Very high | 27 Ų | 27 | 63 Ų | 63 | 14% | 0.144 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -71.1 | -39.7 | -170.7 | -59.9 | -5 | 0 | 0 | 0 | 112.7 | R116 Y259 Q365 K371 E372 A373 | R116-D369 IonicContact CZ-OD2 2.88Å; R116-D369 IonicContact NH1-OD2 2.6Å; R116-D369 PolarHBondContact NH1-OD2 2.94Å; R116-D369 IonicContact NH2-OD2 3.12Å; R116-D369 PolarHBondContact NH2-OD2 3.27Å; Y259-D369 HydrophobicContact CE2-CB 3.6Å; Y259-D369 VanDerWaalsContact OH-CB 3.25Å; Y259-D369 WeakPolarHBondContact OH-CB 3.5Å; Y259-D369 VanDerWaalsContact OH-CG 3.23Å; Y259-D369 PolarHBondContact OH-OD2 3.21Å; Q365-D369 VanDerWaalsContact O-CG 3.23Å; Q365-D369 PolarHBondContact O-N 3.45Å; D369-K371 VanDerWaalsContact C-N 3.27Å; D369-K371 PolarHBondContact O-N 3.08Å; D369-E372 PolarHBondContact O-N 3.38Å; D369-A373 WeakPolarHBondContact O-CB 3.46Å; D369-A373 PolarHBondContact O-N 3.08Å |
| 370 | L | 94.1 | Very high | 94.6 | Very high | 26 Ų | 26 | 64 Ų | 64 | 14% | 0.136 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.8 | -33.6 | 175.3 | -71.1 | 179.3 | 0 | 0 | 0 | 111.5 | L256 Y259 K366 H368 L374 | L256-L370 HydrophobicContact CD2-CD2 4.09Å; Y259-L370 HydrophobicContact CD2-CD2 3.5Å; Y259-L370 HydrophobicContact CD2-CG 3.94Å; Y259-L370 HydrophobicContact CE2-CD2 4.21Å; Y259-L370 HydrophobicContact CE2-CG 4.27Å; Y259-L370 HydrophobicContact CG-CD1 4.42Å; Y259-L370 HydrophobicContact CG-CD2 3.78Å; Y259-L370 HydrophobicContact CG-CG 4.07Å; K366-L370 HydrophobicContact CD-CD1 4.37Å; K366-L370 HydrophobicContact CG-CD1 3.9Å; K366-L370 HydrophobicContact CG-CG 4.46Å; K366-L370 VanDerWaalsContact O-CB 3.28Å; K366-L370 WeakPolarHBondContact O-CB 3.36Å; K366-L370 VanDerWaalsContact O-CG 3.29Å; K366-L370 WeakPolarHBondContact O-CG 3.19Å; K366-L370 PolarHBondContact O-N 3.4Å; K366-L370 VanDerWaalsContact O-N 3.16Å; H368-L370 PolarHBondContact O-N 3.27Å; L370-L374 WeakPolarHBondContact O-CB 3.05Å; L370-L374 WeakPolarHBondContact O-CD1 3.49Å; L370-L374 WeakPolarHBondContact O-CG 3.44Å; L370-L374 PolarHBondContact O-N 3.14Å |
| 371 | K | 95.7 | Very high | 94.3 | Very high | 141 Ų | 141 | 62.6 Ų | 62.6 | 61% | 0.613 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -65.2 | -46.7 | 174.1 | 177.1 | -173.5 | 174.6 | -170.5 | 0 | 110.5 | N367 H368 D369 L374 I375 | N367-K371 WeakPolarHBondContact O-CB 3.43Å; N367-K371 PolarHBondContact O-N 3.3Å; H368-K371 WeakPolarHBondContact O-CB 3.49Å; H368-K371 PolarHBondContact O-N 3.35Å; D369-K371 VanDerWaalsContact C-N 3.27Å; D369-K371 PolarHBondContact O-N 3.08Å; K371-L374 PolarHBondContact O-N 3.26Å; K371-I375 HydrophobicContact CG-CD1 3.91Å; K371-I375 VanDerWaalsContact O-CG1 3.28Å; K371-I375 WeakPolarHBondContact O-CG1 3.41Å; K371-I375 PolarHBondContact O-N 3.3Å |
| 372 | E | 94.3 | Very high | 94.1 | Very high | 100 Ų | 100 | 64.3 Ų | 64.3 | 47% | 0.467 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 176.6 | -71.1 | -168.9 | 150.1 | 0 | 0 | 111.9 | H368 D369 L374 I375 S376 | H368-E372 IonicContact CE1-OE1 3.8Å; H368-E372 PolarHBondContact CE1-OE1 3.48Å; H368-E372 IonicContact CE1-OE2 2.94Å; H368-E372 PolarHBondContact CE1-OE2 2.95Å; H368-E372 VanDerWaalsContact CE1-OE2 3.25Å; H368-E372 IonicContact ND1-OE2 3.58Å; H368-E372 IonicContact NE2-OE1 2.8Å; H368-E372 PolarHBondContact NE2-OE1 2.99Å; H368-E372 PolarHBondContact O-N 3.42Å; D369-E372 PolarHBondContact O-N 3.38Å; E372-L374 VanDerWaalsContact C-N 3.35Å; E372-L374 PolarHBondContact O-N 2.99Å; E372-I375 PolarHBondContact O-N 2.99Å; E372-S376 WeakPolarHBondContact O-CB 3.38Å; E372-S376 PolarHBondContact O-N 3.03Å; E372-S376 PolarHBondContact O-OG 3.11Å; E372-S376 VanDerWaalsContact O-OG 3.07Å |
| 373 | A | 92.2 | Very high | 93.7 | Very high | 2 Ų | 2 | 66.2 Ų | 66.2 | 2% | 0.017 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y252 Q255 D369 S376 Y377 | Y252-A373 HydrophobicContact CD2-CB 4.15Å; Y252-A373 WeakPolarHBondContact CD2-O 3.45Å; Y252-A373 HydrophobicContact CE2-CB 4.03Å; Y252-A373 WeakPolarHBondContact CE2-O 3.34Å; Q255-A373 HydrophobicContact CB-CB 4.28Å; D369-A373 WeakPolarHBondContact O-CB 3.46Å; D369-A373 PolarHBondContact O-N 3.08Å; A373-S376 PolarHBondContact O-N 2.97Å; A373-Y377 WeakPolarHBondContact O-CB 3.45Å; A373-Y377 PolarHBondContact O-N 2.95Å |
| 374 | L | 92.7 | Very high | 93.2 | Very high | 95 Ų | 95 | 64.8 Ų | 64.8 | 50% | 0.497 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.5 | -36.8 | 178.8 | -71.6 | 169.4 | 0 | 0 | 0 | 112.7 | Y252 L370 K371 E372 A378 | Y252-L374 WeakPolarHBondContact OH-CD2 3.45Å; L370-L374 WeakPolarHBondContact O-CB 3.05Å; L370-L374 WeakPolarHBondContact O-CD1 3.49Å; L370-L374 WeakPolarHBondContact O-CG 3.44Å; L370-L374 PolarHBondContact O-N 3.14Å; K371-L374 PolarHBondContact O-N 3.26Å; E372-L374 VanDerWaalsContact C-N 3.35Å; E372-L374 PolarHBondContact O-N 2.99Å; L374-A378 PolarHBondContact O-N 3.21Å |
| 375 | I | 94.3 | Very high | 92.9 | Very high | 92 Ų | 92 | 61.5 Ų | 61.5 | 47% | 0.472 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.7 | -48.3 | 174.3 | -70.5 | 167.8 | 0 | 0 | 0 | 110 | K371 E372 Y377 A378 V379 | K371-I375 HydrophobicContact CG-CD1 3.91Å; K371-I375 VanDerWaalsContact O-CG1 3.28Å; K371-I375 WeakPolarHBondContact O-CG1 3.41Å; K371-I375 PolarHBondContact O-N 3.3Å; E372-I375 PolarHBondContact O-N 2.99Å; I375-Y377 VanDerWaalsContact C-N 3.29Å; I375-Y377 PolarHBondContact O-N 3.23Å; I375-A378 PolarHBondContact O-N 3.33Å; I375-A378 VanDerWaalsContact O-N 3.12Å; I375-V379 HydrophobicContact CG2-CG2 4.42Å; I375-V379 WeakPolarHBondContact O-CG2 3.37Å; I375-V379 PolarHBondContact O-N 3.49Å |
| 376 | S | 91.6 | Very high | 92.6 | Very high | 66 Ų | 66 | 66.6 Ų | 66.6 | 46% | 0.462 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.1 | -42.5 | 177.4 | -65.6 | 0 | 0 | 0 | 0 | 111.4 | E372 A373 A378 V379 M380 | E372-S376 WeakPolarHBondContact O-CB 3.38Å; E372-S376 PolarHBondContact O-N 3.03Å; E372-S376 PolarHBondContact O-OG 3.11Å; E372-S376 VanDerWaalsContact O-OG 3.07Å; A373-S376 PolarHBondContact O-N 2.97Å; S376-A378 PolarHBondContact O-N 3.5Å; S376-V379 PolarHBondContact O-N 3.41Å; S376-M380 WeakPolarHBondContact O-CB 3.36Å; S376-M380 PolarHBondContact O-N 3.3Å |
| 377 | Y | 91.4 | Very high | 92 | Very high | 60 Ų | 60 | 70.4 Ų | 70.4 | 24% | 0.235 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 173.8 | -174.6 | -106.8 | 0 | 0 | 0 | 112.5 | E249 Y252 A373 I375 V379 M380 Q381 | E249-Y377 HydrophobicContact CG-CE2 4.1Å; E249-Y377 WeakPolarHBondContact OE1-CE2 3.47Å; E249-Y377 PolarHBondContact OE1-OH 3.33Å; E249-Y377 VanDerWaalsContact OE1-OH 3.1Å; Y252-Y377 AromaticContact CD1-CD2 3.36Å; Y252-Y377 HydrophobicContact CD1-CD2 3.36Å; Y252-Y377 AromaticContact CD1-CE2 3.84Å; Y252-Y377 HydrophobicContact CD1-CE2 3.84Å; Y252-Y377 HydrophobicContact CD1-CG 4.05Å; Y252-Y377 HydrophobicContact CD2-CD2 4.2Å; Y252-Y377 HydrophobicContact CD2-CG 4.28Å; Y252-Y377 AromaticContact CE1-CD2 3.55Å; Y252-Y377 HydrophobicContact CE1-CD2 3.55Å; Y252-Y377 AromaticContact CE1-CE2 3.93Å; Y252-Y377 HydrophobicContact CE1-CE2 3.93Å; Y252-Y377 AromaticContact CE1-CG 3.87Å; Y252-Y377 HydrophobicContact CE1-CG 3.87Å; Y252-Y377 HydrophobicContact CE2-CD2 4.37Å; Y252-Y377 HydrophobicContact CE2-CG 4.12Å; Y252-Y377 AromaticContact CG-CD2 3.69Å; Y252-Y377 HydrophobicContact CG-CD2 3.69Å; Y252-Y377 HydrophobicContact CG-CG 4.23Å; Y252-Y377 AromaticContact CZ-CG 3.89Å; A373-Y377 WeakPolarHBondContact O-CB 3.45Å; A373-Y377 PolarHBondContact O-N 2.95Å; I375-Y377 VanDerWaalsContact C-N 3.29Å; I375-Y377 PolarHBondContact O-N 3.23Å; Y377-V379 VanDerWaalsContact C-N 3.34Å; Y377-V379 PolarHBondContact O-N 3.43Å; Y377-M380 HydrophobicContact CD2-CE 3.52Å; Y377-M380 HydrophobicContact CE2-CE 3.51Å; Y377-M380 PolarHBondContact O-N 3.09Å; Y377-Q381 HydrophobicContact CD1-CG 4.17Å; Y377-Q381 HydrophobicContact CE1-CG 3.81Å; Y377-Q381 HydrophobicContact CE2-CG 4.29Å; Y377-Q381 VanDerWaalsContact O-CG 3.3Å; Y377-Q381 WeakPolarHBondContact O-CG 3.3Å; Y377-Q381 PolarHBondContact O-N 3.17Å; Y377-Q381 PolarHBondContact OH-NE2 3.31Å |
| 378 | A | 93.5 | Very high | 91.4 | Very high | 48 Ų | 48 | 66.4 Ų | 66.4 | 40% | 0.397 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | L374 I375 S376 Q381 I382 | L374-A378 PolarHBondContact O-N 3.21Å; I375-A378 PolarHBondContact O-N 3.33Å; I375-A378 VanDerWaalsContact O-N 3.12Å; S376-A378 PolarHBondContact O-N 3.5Å; A378-Q381 PolarHBondContact O-N 2.8Å; A378-I382 VanDerWaalsContact O-CG1 3.27Å; A378-I382 WeakPolarHBondContact O-CG1 3.37Å; A378-I382 PolarHBondContact O-N 3.34Å |
| 379 | V | 92.9 | Very high | 91 | Very high | 92 Ų | 92 | 67 Ų | 67 | 56% | 0.558 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.3 | -44.8 | 176.3 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | I375 S376 Y377 I382 S383 | I375-V379 HydrophobicContact CG2-CG2 4.42Å; I375-V379 WeakPolarHBondContact O-CG2 3.37Å; I375-V379 PolarHBondContact O-N 3.49Å; S376-V379 PolarHBondContact O-N 3.41Å; Y377-V379 VanDerWaalsContact C-N 3.34Å; Y377-V379 PolarHBondContact O-N 3.43Å; V379-I382 PolarHBondContact O-N 3.03Å; V379-S383 PolarHBondContact O-N 3.29Å |
| 380 | M | 91.1 | Very high | 90.6 | Very high | 20 Ų | 20 | 71 Ų | 71 | 10% | 0.099 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 175.4 | -178.9 | -161.1 | 75.2 | 0 | 0 | 111.2 | E248 E249 S376 Y377 I382 S383 M384 | E248-M380 HydrophobicContact CB-CG 4.31Å; E248-M380 HydrophobicContact CB-SD 3.98Å; E249-M380 VanDerWaalsContact CA-SD 3.55Å; E249-M380 HydrophobicContact CB-CE 3.75Å; E249-M380 HydrophobicContact CB-SD 3.84Å; E249-M380 HydrophobicContact CG-CE 3.84Å; E249-M380 HydrophobicContact CG-SD 4.5Å; S376-M380 WeakPolarHBondContact O-CB 3.36Å; S376-M380 PolarHBondContact O-N 3.3Å; Y377-M380 HydrophobicContact CD2-CE 3.52Å; Y377-M380 HydrophobicContact CE2-CE 3.51Å; Y377-M380 PolarHBondContact O-N 3.09Å; M380-I382 PolarHBondContact O-N 3.27Å; M380-S383 WeakPolarHBondContact O-CB 3.4Å; M380-S383 PolarHBondContact O-N 2.94Å; M380-S383 VanDerWaalsContact O-N 3.16Å; M380-M384 PolarHBondContact O-N 3.02Å |
| 381 | Q | 90.8 | Very high | 89.9 | Confident | 45 Ų | 45 | 71 Ų | 71 | 21% | 0.21 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 176.8 | -71.1 | -66.2 | -36.8 | 0 | 0 | 112.1 | Y377 A378 S383 M384 C385 | Y377-Q381 HydrophobicContact CD1-CG 4.17Å; Y377-Q381 HydrophobicContact CE1-CG 3.81Å; Y377-Q381 HydrophobicContact CE2-CG 4.29Å; Y377-Q381 VanDerWaalsContact O-CG 3.3Å; Y377-Q381 WeakPolarHBondContact O-CG 3.3Å; Y377-Q381 PolarHBondContact O-N 3.17Å; Y377-Q381 PolarHBondContact OH-NE2 3.31Å; A378-Q381 PolarHBondContact O-N 2.8Å; Q381-S383 VanDerWaalsContact C-N 3.35Å; Q381-S383 PolarHBondContact O-N 3.36Å; Q381-M384 PolarHBondContact O-N 2.97Å; Q381-C385 PolarHBondContact O-N 3.17Å; Q381-C385 PolarHBondContact O-SG 3.43Å; Q381-C385 VanDerWaalsContact O-SG 3.33Å |
| 382 | I | 92.6 | Very high | 89.4 | Confident | 93 Ų | 93 | 70 Ų | 70 | 48% | 0.477 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 174.6 | -69.5 | 163.9 | 0 | 0 | 0 | 110.8 | A378 V379 M380 C385 K386 | A378-I382 VanDerWaalsContact O-CG1 3.27Å; A378-I382 WeakPolarHBondContact O-CG1 3.37Å; A378-I382 PolarHBondContact O-N 3.34Å; V379-I382 PolarHBondContact O-N 3.03Å; M380-I382 PolarHBondContact O-N 3.27Å; I382-C385 PolarHBondContact O-N 2.77Å; I382-K386 HydrophobicContact CG2-CD 4.14Å; I382-K386 WeakPolarHBondContact O-CG 3.37Å; I382-K386 PolarHBondContact O-N 3.4Å |
| 383 | S | 89.4 | Confident | 89.1 | Confident | 46 Ų | 46 | 68 Ų | 68 | 32% | 0.322 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 176.5 | -174 | 0 | 0 | 0 | 0 | 111.2 | V379 M380 Q381 C385 K386 K387 | V379-S383 PolarHBondContact O-N 3.29Å; M380-S383 WeakPolarHBondContact O-CB 3.4Å; M380-S383 PolarHBondContact O-N 2.94Å; M380-S383 VanDerWaalsContact O-N 3.16Å; Q381-S383 VanDerWaalsContact C-N 3.35Å; Q381-S383 PolarHBondContact O-N 3.36Å; S383-C385 PolarHBondContact O-N 3.42Å; S383-K386 PolarHBondContact O-N 3.33Å; S383-K387 WeakPolarHBondContact O-CG 3.46Å; S383-K387 PolarHBondContact O-N 3.49Å |
| 384 | M | 86.6 | Confident | 88.6 | Confident | 26 Ų | 26 | 70.2 Ų | 70.2 | 13% | 0.128 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.2 | -49.3 | 175.2 | -178.8 | -175.4 | 75.9 | 0 | 0 | 111.7 | I245 M380 Q381 K386 K387 G388 | I245-M384 HydrophobicContact CD1-CG 3.77Å; I245-M384 HydrophobicContact CD1-SD 4.35Å; I245-M384 HydrophobicContact CG1-CG 4.28Å; I245-M384 HydrophobicContact CG2-CG 4.11Å; I245-M384 HydrophobicContact CG2-SD 3.56Å; I245-M384 VanDerWaalsContact CG2-SD 3.56Å; M380-M384 PolarHBondContact O-N 3.02Å; Q381-M384 PolarHBondContact O-N 2.97Å; M384-K386 VanDerWaalsContact C-N 3.33Å; M384-K386 PolarHBondContact O-N 2.88Å; M384-K387 PolarHBondContact O-N 3.37Å; M384-G388 PolarHBondContact O-N 3.48Å |
| 385 | C | 88.8 | Confident | 88 | Confident | 70 Ų | 70 | 65.8 Ų | 65.8 | 47% | 0.473 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 178.7 | -70.5 | 0 | 0 | 0 | 0 | 112.3 | Q381 I382 S383 G388 I389 | Q381-C385 PolarHBondContact O-N 3.17Å; Q381-C385 PolarHBondContact O-SG 3.43Å; Q381-C385 VanDerWaalsContact O-SG 3.33Å; I382-C385 PolarHBondContact O-N 2.77Å; S383-C385 PolarHBondContact O-N 3.42Å; C385-G388 PolarHBondContact O-N 3.41Å; C385-I389 VanDerWaalsContact O-CG1 3.31Å; C385-I389 WeakPolarHBondContact O-CG1 3.31Å; C385-I389 PolarHBondContact O-N 2.81Å |
| 386 | K | 89.8 | Confident | 87.6 | Confident | 143 Ų | 143 | 68.6 Ų | 68.6 | 62% | 0.622 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.7 | -45.4 | 176.4 | -75 | 175 | 178 | 178.6 | 0 | 112.1 | I382 S383 M384 G388 I389 Q390 | I382-K386 HydrophobicContact CG2-CD 4.14Å; I382-K386 WeakPolarHBondContact O-CG 3.37Å; I382-K386 PolarHBondContact O-N 3.4Å; S383-K386 PolarHBondContact O-N 3.33Å; M384-K386 VanDerWaalsContact C-N 3.33Å; M384-K386 PolarHBondContact O-N 2.88Å; K386-G388 VanDerWaalsContact C-N 3.31Å; K386-G388 PolarHBondContact O-N 3.37Å; K386-I389 PolarHBondContact O-N 3.39Å; K386-Q390 PolarHBondContact O-N 2.98Å |
| 387 | K | 83.1 | Confident | 87.2 | Confident | 92 Ų | 92 | 70.3 Ų | 70.3 | 40% | 0.4 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.7 | -46.1 | 173.7 | -71.8 | 178.6 | -178.2 | 177.4 | 0 | 110.4 | S383 M384 I389 Q390 V391 | S383-K387 WeakPolarHBondContact O-CG 3.46Å; S383-K387 PolarHBondContact O-N 3.49Å; M384-K387 PolarHBondContact O-N 3.37Å; K387-I389 PolarHBondContact O-N 2.86Å; K387-Q390 PolarHBondContact O-N 3.47Å; K387-V391 WeakPolarHBondContact O-CG2 3.41Å; K387-V391 PolarHBondContact O-N 2.81Å |
| 388 | G | 83.7 | Confident | 86.6 | Confident | 11 Ų | 11 | 68.1 Ų | 68.1 | 11% | 0.113 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.1 | -48.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M384 C385 K386 Q390 V391 W392 | M384-G388 PolarHBondContact O-N 3.48Å; C385-G388 PolarHBondContact O-N 3.41Å; K386-G388 VanDerWaalsContact C-N 3.31Å; K386-G388 PolarHBondContact O-N 3.37Å; G388-Q390 VanDerWaalsContact C-N 3.31Å; G388-Q390 PolarHBondContact O-N 3.12Å; G388-V391 PolarHBondContact O-N 3.32Å; G388-W392 PolarHBondContact O-N 2.89Å |
| 389 | I | 88.3 | Confident | 85.8 | Confident | 112 Ų | 112 | 69.6 Ų | 69.6 | 57% | 0.574 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -57.3 | -45 | 177 | -70.5 | 163.9 | 0 | 0 | 0 | 110.9 | C385 K386 K387 V391 W392 T393 | C385-I389 VanDerWaalsContact O-CG1 3.31Å; C385-I389 WeakPolarHBondContact O-CG1 3.31Å; C385-I389 PolarHBondContact O-N 2.81Å; K386-I389 PolarHBondContact O-N 3.39Å; K387-I389 PolarHBondContact O-N 2.86Å; I389-V391 PolarHBondContact O-N 2.85Å; I389-W392 PolarHBondContact O-N 3.01Å; I389-T393 WeakPolarHBondContact O-CB 3.44Å; I389-T393 PolarHBondContact O-N 3.3Å; I389-T393 PolarHBondContact O-OG1 3.46Å |
| 390 | Q | 85.3 | Confident | 85.2 | Confident | 110 Ų | 110 | 69.3 Ų | 69.3 | 51% | 0.514 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.1 | -46.1 | 179 | -174.1 | 62.9 | 55.2 | 0 | 0 | 111.5 | K386 K387 G388 T393 N394 | K386-Q390 PolarHBondContact O-N 2.98Å; K387-Q390 PolarHBondContact O-N 3.47Å; G388-Q390 VanDerWaalsContact C-N 3.31Å; G388-Q390 PolarHBondContact O-N 3.12Å; Q390-T393 PolarHBondContact O-N 3.46Å; Q390-N394 PolarHBondContact NE2-OD1 3.29Å; Q390-N394 PolarHBondContact O-N 3.18Å; Q390-N394 PolarHBondContact O-OD1 2.98Å |
| 391 | V | 80.8 | Confident | 84.3 | Confident | 26 Ų | 26 | 76.5 Ų | 76.5 | 16% | 0.158 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 179.6 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | Y238 K387 G388 I389 T393 N394 A395 | Y238-V391 HydrophobicContact CD2-CB 4.08Å; Y238-V391 HydrophobicContact CD2-CG1 3.64Å; Y238-V391 HydrophobicContact CD2-CG2 4.35Å; Y238-V391 HydrophobicContact CG-CG1 3.96Å; K387-V391 WeakPolarHBondContact O-CG2 3.41Å; K387-V391 PolarHBondContact O-N 2.81Å; G388-V391 PolarHBondContact O-N 3.32Å; I389-V391 PolarHBondContact O-N 2.85Å; V391-T393 VanDerWaalsContact C-N 3.33Å; V391-T393 PolarHBondContact O-N 3.06Å; V391-N394 PolarHBondContact O-N 3.49Å; V391-A395 WeakPolarHBondContact O-CB 3.39Å; V391-A395 PolarHBondContact O-N 3.12Å |
| 392 | W | 84.7 | Confident | 83.3 | Confident | 121 Ų | 121 | 78.8 Ų | 78.8 | 46% | 0.458 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.8 | -33.6 | 178.1 | -78.2 | 108.5 | 0 | 0 | 0 | 113.2 | H207 M235 Y238 G388 I389 A395 K396 | H207-W392 AromaticContact NE2-CH2 3.49Å; H207-W392 WeakPolarHBondContact NE2-CH2 3.16Å; H207-W392 AromaticContact NE2-CZ2 3.43Å; H207-W392 WeakPolarHBondContact NE2-CZ2 3.25Å; M235-W392 HydrophobicContact CE-CZ3 4.38Å; Y238-W392 HydrophobicContact CE1-CZ2 4.34Å; Y238-W392 AromaticContact CZ-NE1 3.74Å; G388-W392 PolarHBondContact O-N 2.89Å; I389-W392 PolarHBondContact O-N 3.01Å; W392-A395 PolarHBondContact O-N 3.39Å; W392-K396 WeakPolarHBondContact O-CB 3.34Å; W392-K396 PolarHBondContact O-N 3.22Å |
| 393 | T | 87.7 | Confident | 82.8 | Confident | 57 Ų | 57 | 78.1 Ų | 78.1 | 35% | 0.35 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.2 | -47.3 | 174.8 | -56.8 | 0 | 0 | 0 | 0 | 110.5 | I389 Q390 V391 A395 K396 E397 | I389-T393 WeakPolarHBondContact O-CB 3.44Å; I389-T393 PolarHBondContact O-N 3.3Å; I389-T393 PolarHBondContact O-OG1 3.46Å; Q390-T393 PolarHBondContact O-N 3.46Å; V391-T393 VanDerWaalsContact C-N 3.33Å; V391-T393 PolarHBondContact O-N 3.06Å; T393-A395 VanDerWaalsContact C-N 3.34Å; T393-A395 PolarHBondContact O-N 3.25Å; T393-K396 PolarHBondContact O-N 2.91Å; T393-E397 PolarHBondContact O-N 3.43Å |
| 394 | N | 81.8 | Confident | 82.5 | Confident | 50 Ų | 50 | 79.8 Ų | 79.8 | 27% | 0.267 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 176.7 | -65.5 | -6.6 | 0 | 0 | 0 | 111.6 | Q390 V391 K396 E397 C398 | Q390-N394 PolarHBondContact NE2-OD1 3.29Å; Q390-N394 PolarHBondContact O-N 3.18Å; Q390-N394 PolarHBondContact O-OD1 2.98Å; V391-N394 PolarHBondContact O-N 3.49Å; N394-K396 PolarHBondContact O-N 3.09Å; N394-E397 PolarHBondContact O-N 3.32Å; N394-C398 PolarHBondContact O-N 3.26Å; N394-C398 PolarHBondContact O-SG 2.85Å |
| 395 | A | 79.3 | Confident | 82.3 | Confident | 2 Ų | 2 | 82.8 Ų | 82.8 | 2% | 0.017 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | H234 M235 V391 W392 T393 E397 C398 F399 | H234-A395 HydrophobicContact CB-CB 4.47Å; M235-A395 HydrophobicContact CE-CB 4.36Å; V391-A395 WeakPolarHBondContact O-CB 3.39Å; V391-A395 PolarHBondContact O-N 3.12Å; W392-A395 PolarHBondContact O-N 3.39Å; T393-A395 VanDerWaalsContact C-N 3.34Å; T393-A395 PolarHBondContact O-N 3.25Å; A395-E397 VanDerWaalsContact C-N 3.35Å; A395-E397 PolarHBondContact O-N 2.97Å; A395-C398 WeakPolarHBondContact O-CB 3.37Å; A395-C398 PolarHBondContact O-N 3.2Å; A395-F399 HydrophobicContact CB-CE2 4.42Å; A395-F399 WeakPolarHBondContact O-CD2 3.36Å; A395-F399 PolarHBondContact O-N 3.47Å |
| 396 | K | 85.6 | Confident | 81.9 | Confident | 150 Ų | 150 | 83.5 Ų | 83.5 | 65% | 0.652 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -59.2 | -43.7 | 177 | -179.7 | -175.5 | 174.6 | -173.9 | 0 | 112.3 | W392 T393 N394 C398 F399 S400 | W392-K396 WeakPolarHBondContact O-CB 3.34Å; W392-K396 PolarHBondContact O-N 3.22Å; T393-K396 PolarHBondContact O-N 2.91Å; N394-K396 PolarHBondContact O-N 3.09Å; K396-C398 VanDerWaalsContact C-N 3.3Å; K396-C398 PolarHBondContact O-N 3.11Å; K396-F399 PolarHBondContact O-N 2.91Å; K396-S400 WeakPolarHBondContact O-CB 3.32Å; K396-S400 PolarHBondContact O-N 3.36Å; K396-S400 PolarHBondContact O-OG 3Å |
| 397 | E | 83.9 | Confident | 81.4 | Confident | 102 Ų | 102 | 79.8 Ų | 79.8 | 48% | 0.477 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 176.9 | -74.4 | -177.3 | -170.6 | 0 | 0 | 112 | T393 N394 A395 S400 K401 | T393-E397 PolarHBondContact O-N 3.43Å; N394-E397 PolarHBondContact O-N 3.32Å; A395-E397 VanDerWaalsContact C-N 3.35Å; A395-E397 PolarHBondContact O-N 2.97Å; E397-S400 PolarHBondContact O-N 3.24Å; E397-K401 WeakPolarHBondContact O-CG 3.21Å; E397-K401 PolarHBondContact O-N 3.35Å |
| 398 | C | 78.1 | Confident | 81.3 | Confident | 15 Ų | 15 | 79 Ų | 79 | 10% | 0.101 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.8 | -48.4 | 174.6 | -66.7 | 0 | 0 | 0 | 0 | 111.4 | S230 H234 N394 A395 K396 S400 K401 M402 | S230-C398 PolarHBondContact OG-SG 2.78Å; H234-C398 PolarHBondContact CD2-SG 3.43Å; H234-C398 PolarHBondContact NE2-SG 2.87Å; N394-C398 PolarHBondContact O-N 3.26Å; N394-C398 PolarHBondContact O-SG 2.85Å; A395-C398 WeakPolarHBondContact O-CB 3.37Å; A395-C398 PolarHBondContact O-N 3.2Å; K396-C398 VanDerWaalsContact C-N 3.3Å; K396-C398 PolarHBondContact O-N 3.11Å; C398-S400 PolarHBondContact O-N 3.3Å; C398-K401 PolarHBondContact O-N 3.07Å; C398-K401 VanDerWaalsContact O-N 3.12Å; C398-M402 PolarHBondContact O-N 3.47Å |
| 399 | F | 76.9 | Confident | 81.1 | Confident | 78 Ų | 78 | 83.9 Ų | 83.9 | 34% | 0.342 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.3 | -23.5 | 178.2 | -72.5 | -62.8 | 0 | 0 | 0 | 113.9 | F214 A231 M235 A395 K396 K401 M402 | F214-F399 AromaticContact CE2-CZ 3.91Å; F214-F399 HydrophobicContact CE2-CZ 3.91Å; F214-F399 HydrophobicContact CZ-CZ 4.29Å; A231-F399 HydrophobicContact CB-CD1 4.39Å; A231-F399 HydrophobicContact CB-CE1 3.65Å; A231-F399 HydrophobicContact CB-CE2 4.14Å; A231-F399 HydrophobicContact CB-CZ 3.51Å; M235-F399 HydrophobicContact CE-CE2 4.01Å; M235-F399 HydrophobicContact CE-CZ 4.35Å; A395-F399 HydrophobicContact CB-CE2 4.42Å; A395-F399 WeakPolarHBondContact O-CD2 3.36Å; A395-F399 PolarHBondContact O-N 3.47Å; K396-F399 PolarHBondContact O-N 2.91Å; F399-K401 VanDerWaalsContact C-N 3.29Å; F399-M402 HydrophobicContact CD1-CE 4.17Å; F399-M402 HydrophobicContact CD1-SD 3.62Å; F399-M402 HydrophobicContact CE1-CE 4.49Å; F399-M402 HydrophobicContact CE1-SD 4.08Å |
| 400 | S | 81.1 | Confident | 80.6 | Confident | 86 Ų | 86 | 81.7 Ų | 81.7 | 60% | 0.601 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -12.8 | 176.4 | -55.6 | 0 | 0 | 0 | 0 | 113.1 | K396 E397 C398 | K396-S400 WeakPolarHBondContact O-CB 3.32Å; K396-S400 PolarHBondContact O-N 3.36Å; K396-S400 PolarHBondContact O-OG 3Å; E397-S400 PolarHBondContact O-N 3.24Å; C398-S400 PolarHBondContact O-N 3.3Å |
| 401 | K | 71.3 | Confident | 80.2 | Confident | 171 Ų | 171 | 79.3 Ų | 79.3 | 74% | 0.743 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -15.6 | 178.1 | -68.2 | 170.8 | -174.7 | 171.4 | 0 | 112.8 | E397 C398 F399 | E397-K401 WeakPolarHBondContact O-CG 3.21Å; E397-K401 PolarHBondContact O-N 3.35Å; C398-K401 PolarHBondContact O-N 3.07Å; C398-K401 VanDerWaalsContact O-N 3.12Å; F399-K401 VanDerWaalsContact C-N 3.29Å |
| 402 | M | 71.1 | Confident | 80.1 | Confident | 94 Ų | 94 | 84.2 Ų | 84.2 | 46% | 0.463 | 41% | 0.407 | S | S | . | . | trans | -71.9 | 0 | 163.2 | -70.2 | 171.4 | 48.1 | 0 | 0 | 109.6 | M224 G227 L228 C398 F399 | M224-M402 HydrophobicContact CB-CE 4.41Å; M224-M402 HydrophobicContact CB-CG 4.43Å; M224-M402 HydrophobicContact CG-CE 4.43Å; M224-M402 HydrophobicContact SD-CE 3.83Å; G227-M402 VanDerWaalsContact C-SD 3.51Å; L228-M402 HydrophobicContact CD2-CE 3.78Å; L228-M402 HydrophobicContact CD2-SD 4.43Å; L228-M402 HydrophobicContact CG-CE 4.08Å; C398-M402 PolarHBondContact O-N 3.47Å; F399-M402 HydrophobicContact CD1-CE 4.17Å; F399-M402 HydrophobicContact CD1-SD 3.62Å; F399-M402 HydrophobicContact CE1-CE 4.49Å; F399-M402 HydrophobicContact CE1-SD 4.08Å |
Retrieved 402 of 402 residues in 85.5 ms
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