| 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 | 40.7 | Very low | 75.8 | Confident | 246 Ų | 246 | 92.6 Ų | 92.6 | 100% | 1.212 | 50% | 0.5 | S | S | * | . | 0 | 130.1 | 0 | -74.4 | 174.5 | 173.9 | 0 | 0 | 106.3 | |||||
| 2 | T | 43.7 | Very low | 77.4 | Confident | 138 Ų | 138 | 85 Ų | 85 | 85% | 0.847 | 46% | 0.459 | S | S | * | . | trans | -51.4 | 127.6 | -152.7 | 39.5 | 0 | 0 | 0 | 0 | 116.4 | G4 | T2-G4 VanDerWaalsContact C-N 3.32Å; T2-G4 PolarHBondContact O-N 3.15Å; T2-G4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | D | 55 | Low | 78.6 | Confident | 144 Ų | 144 | 78.5 Ų | 78.5 | 77% | 0.77 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -82 | 49.1 | -174.3 | -162.5 | 16.7 | 0 | 0 | 0 | 113 | Y6 | D3-Y6 PolarHBondContact OD1-OH 3.3Š|
| 4 | G | 58.1 | Low | 79.7 | Confident | 64 Ų | 64 | 73 Ų | 73 | 66% | 0.66 | 40% | 0.395 | S | S | * | . | trans | -159.2 | 33.8 | -164.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | T2 | T2-G4 VanDerWaalsContact C-N 3.32Å; T2-G4 PolarHBondContact O-N 3.15Å; T2-G4 VanDerWaalsContact O-N 3.14Å | ||
| 5 | D | 82.8 | Confident | 80.6 | Confident | 82 Ų | 82 | 68.1 Ų | 68.1 | 44% | 0.439 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -125.1 | 28.1 | 176.5 | -156.3 | 20.1 | 0 | 0 | 0 | 113.6 | R50 K67 | D5-R50 IonicContact OD2-NH1 3.81Å; D5-K67 VanDerWaalsContact O-CD 3.31Å; D5-K67 WeakPolarHBondContact O-CD 3.36Å; D5-K67 IonicContact OD1-NZ 3.62Å; D5-K67 PolarHBondContact OD1-NZ 2.84Å; D5-K67 IonicContact OD2-NZ 2.67Å |
| 6 | Y | 88.3 | Confident | 81.4 | Confident | 70 Ų | 70 | 63.9 Ų | 63.9 | 28% | 0.275 | 35% | 0.345 | S | S | . | . | trans | -141.9 | 147.2 | 171.4 | 61.1 | -93.6 | 0 | 0 | 0 | 110.5 | D3 Y8 L9 H69 | D3-Y6 PolarHBondContact OD1-OH 3.3Å; Y6-Y8 WeakPolarHBondContact CD2-O 3.19Å; Y6-L9 HydrophobicContact CD2-CB 4.41Å; Y6-L9 HydrophobicContact CE2-CB 3.71Å; Y6-H69 HydrophobicContact CD1-CB 3.77Å; Y6-H69 AromaticContact CD1-ND1 3.99Å; Y6-H69 HydrophobicContact CD2-CB 3.94Å; Y6-H69 HydrophobicContact CE1-CB 4.27Å; Y6-H69 HydrophobicContact CE2-CB 4.41Å; Y6-H69 HydrophobicContact CG-CB 3.6Å | ||
| 7 | D | 91.3 | Very high | 82.1 | Confident | 84 Ų | 84 | 61.7 Ų | 61.7 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -83 | -35.2 | 177.4 | -60.5 | -74.1 | 0 | 0 | 0 | 111.4 | F66 K67 | D7-F66 HydrophobicContact CB-CB 4.3Å; D7-F66 HydrophobicContact CB-CD1 4.17Å; D7-F66 WeakPolarHBondContact OD2-CA 3.49Å; D7-K67 PolarHBondContact N-O 3.07Å; D7-K67 PolarHBondContact OD2-N 3.39Å |
| 8 | Y | 92.8 | Very high | 82.5 | Confident | 72 Ų | 72 | 60.9 Ų | 60.9 | 28% | 0.282 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 136.8 | -178.8 | -62.7 | -75.8 | 0 | 0 | 0 | 112.3 | Y6 F66 K67 V68 H69 M182 M185 | Y6-Y8 WeakPolarHBondContact CD2-O 3.19Å; Y8-F66 HydrophobicContact CD2-CB 3.97Å; Y8-F66 HydrophobicContact CD2-CD1 4.19Å; Y8-F66 HydrophobicContact CD2-CG 4.21Å; Y8-F66 HydrophobicContact CE2-CB 3.99Å; Y8-F66 AromaticContact CE2-CD1 3.43Å; Y8-F66 HydrophobicContact CE2-CD1 3.43Å; Y8-F66 VanDerWaalsContact CE2-CD1 3.43Å; Y8-F66 HydrophobicContact CE2-CD2 4.38Å; Y8-F66 AromaticContact CE2-CE1 3.82Å; Y8-F66 HydrophobicContact CE2-CE1 3.82Å; Y8-F66 AromaticContact CE2-CG 3.7Å; Y8-F66 HydrophobicContact CE2-CG 3.7Å; Y8-F66 HydrophobicContact CE2-CZ 4.44Å; Y8-K67 PolarHBondContact N-O 3.33Å; Y8-V68 CarbonylContact O-C 3.55Å; Y8-V68 WeakPolarHBondContact O-CA 3.17Å; Y8-H69 PolarHBondContact O-N 3.05Å; Y8-M182 HydrophobicContact CD2-CE 3.64Å; Y8-M182 HydrophobicContact CD2-SD 4.37Å; Y8-M182 HydrophobicContact CE2-CE 3.68Å; Y8-M182 HydrophobicContact CG-CE 4.34Å; Y8-M185 HydrophobicContact CD1-CE 3.73Å; Y8-M185 HydrophobicContact CE1-CE 3.93Å |
| 9 | L | 93.6 | Very high | 83 | Confident | 62 Ų | 62 | 59.2 Ų | 59.2 | 33% | 0.325 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 118.6 | 164.9 | 178.6 | 64.5 | 0 | 0 | 0 | 108.3 | Y6 H69 Q71 | Y6-L9 HydrophobicContact CD2-CB 4.41Å; Y6-L9 HydrophobicContact CE2-CB 3.71Å; L9-H69 WeakPolarHBondContact CA-O 3.5Å; L9-H69 HydrophobicContact CD1-CB 4.18Å; L9-H69 WeakPolarHBondContact CD1-O 3.42Å; L9-Q71 HydrophobicContact CD1-CG 3.86Å |
| 10 | I | 93.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 124.7 | -179.2 | -59.2 | -63.4 | 0 | 0 | 0 | 109.6 | L12 V68 H69 L70 Q71 M93 L178 I181 M182 M185 | I10-L12 HydrophobicContact CG2-CD2 3.74Å; I10-L12 HydrophobicContact CG2-CG 4.23Å; I10-V68 HydrophobicContact CB-CG1 4.05Å; I10-V68 HydrophobicContact CG1-CG1 3.63Å; I10-H69 PolarHBondContact N-O 3.27Å; I10-L70 HydrophobicContact CB-CD2 4.01Å; I10-L70 HydrophobicContact CG2-CD2 4.14Å; I10-L70 WeakPolarHBondContact O-CA 3.4Å; I10-Q71 PolarHBondContact O-N 3.15Å; I10-M93 HydrophobicContact CB-SD 4.45Å; I10-M93 HydrophobicContact CD1-CE 3.69Å; I10-M93 HydrophobicContact CD1-SD 3.67Å; I10-M93 HydrophobicContact CG2-SD 4.34Å; I10-L178 HydrophobicContact CG1-CD1 4.18Å; I10-L178 HydrophobicContact CG2-CD1 4.29Å; I10-I181 HydrophobicContact CD1-CG2 4.02Å; I10-I181 HydrophobicContact CG2-CD1 4.07Å; I10-I181 HydrophobicContact CG2-CG2 4.35Å; I10-M182 HydrophobicContact CD1-SD 4.41Å; I10-M185 HydrophobicContact CD1-CE 4.45Å; I10-M185 HydrophobicContact CD1-SD 3.61Å |
| 11 | K | 93.4 | Very high | 84.2 | Confident | 57 Ų | 57 | 54.2 Ų | 54.2 | 25% | 0.248 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 117.9 | 179.6 | -65.2 | 177 | 178.9 | -179.7 | 0 | 110.3 | Q71 D91 M93 | K11-Q71 CarbonylContact C-O 3.38Å; K11-Q71 WeakPolarHBondContact CA-O 3.25Å; K11-Q71 HydrophobicContact CG-CB 4.16Å; K11-D91 VanDerWaalsContact CD-O 3.3Å; K11-D91 WeakPolarHBondContact CD-O 3.16Å; K11-M93 PolarHBondContact O-N 3.38Å |
| 12 | L | 94.8 | Very high | 86.7 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 143.4 | 176.4 | -52 | -177.3 | 0 | 0 | 0 | 109.6 | I10 L70 Q71 L72 W73 G94 V174 L177 I181 | I10-L12 HydrophobicContact CG2-CD2 3.74Å; I10-L12 HydrophobicContact CG2-CG 4.23Å; L12-L70 HydrophobicContact CD1-CD2 4.15Å; L12-Q71 PolarHBondContact N-O 2.88Å; L12-L72 HydrophobicContact CB-CD2 4.19Å; L12-L72 HydrophobicContact CD1-CD2 3.9Å; L12-L72 HydrophobicContact CG-CD2 4.45Å; L12-W73 WeakPolarHBondContact O-CB 3.31Å; L12-W73 PolarHBondContact O-N 2.91Å; L12-G94 WeakPolarHBondContact CA-O 3.4Å; L12-V174 HydrophobicContact CD1-CG1 4.02Å; L12-L177 HydrophobicContact CD1-CD2 4.23Å; L12-L177 HydrophobicContact CD2-CD2 3.93Å; L12-L177 HydrophobicContact CD2-CG 4.15Å; L12-L177 HydrophobicContact CG-CD2 4.49Å; L12-I181 HydrophobicContact CD2-CD1 3.27Å |
| 13 | L | 93.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 125.7 | 179.8 | -171.5 | 70.2 | 0 | 0 | 0 | 110.6 | L15 W73 T75 F89 A92 G94 F95 L96 | L13-L15 HydrophobicContact CD2-CD1 4.23Å; L13-L15 HydrophobicContact CD2-CD2 3.78Å; L13-L15 HydrophobicContact CD2-CG 4.11Å; L13-L15 HydrophobicContact CG-CD2 3.99Å; L13-L15 HydrophobicContact CG-CG 4.14Å; L13-W73 HydrophobicContact CD1-CB 3.27Å; L13-W73 HydrophobicContact CD1-CG 4.26Å; L13-W73 HydrophobicContact CG-CB 4.46Å; L13-T75 HydrophobicContact CD1-CG2 3.36Å; L13-T75 HydrophobicContact CD2-CG2 4.31Å; L13-T75 HydrophobicContact CG-CG2 3.9Å; L13-F89 HydrophobicContact CD2-CD1 3.51Å; L13-F89 HydrophobicContact CD2-CE1 3.74Å; L13-A92 HydrophobicContact CB-CB 3.79Å; L13-A92 HydrophobicContact CD2-CB 4.44Å; L13-G94 PolarHBondContact N-O 3.44Å; L13-F95 HydrophobicContact CB-CD1 3.82Å; L13-F95 HydrophobicContact CB-CE1 4.09Å; L13-F95 HydrophobicContact CD2-CD1 3.97Å; L13-F95 HydrophobicContact CD2-CE1 3.7Å; L13-F95 HydrophobicContact CG-CD1 4.36Å; L13-F95 HydrophobicContact CG-CE1 4.49Å; L13-F95 WeakPolarHBondContact O-CA 3.39Å; L13-L96 PolarHBondContact O-N 3.04Å |
| 14 | A | 94.5 | Very high | 91 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 129.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | K22 L26 W73 T75 L96 | A14-K22 HydrophobicContact CB-CB 4.13Å; A14-K22 HydrophobicContact CB-CD 4.3Å; A14-K22 HydrophobicContact CB-CG 4.41Å; A14-L26 HydrophobicContact CB-CD1 3.97Å; A14-L26 HydrophobicContact CB-CD2 4.5Å; A14-L26 HydrophobicContact CB-CG 4.35Å; A14-W73 PolarHBondContact N-O 2.8Å; A14-T75 PolarHBondContact O-OG1 3.47Å; A14-L96 WeakPolarHBondContact CA-O 3.16Å; A14-L96 HydrophobicContact CB-CB 4.39Å |
| 15 | L | 92.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 156.1 | -177.6 | -63.5 | 176.3 | 0 | 0 | 0 | 111.6 | L13 K22 T75 T85 F89 F95 L96 L97 M98 W113 L117 | L13-L15 HydrophobicContact CD2-CD1 4.23Å; L13-L15 HydrophobicContact CD2-CD2 3.78Å; L13-L15 HydrophobicContact CD2-CG 4.11Å; L13-L15 HydrophobicContact CG-CD2 3.99Å; L13-L15 HydrophobicContact CG-CG 4.14Å; L15-K22 VanDerWaalsContact C-CD 3.47Å; L15-T75 HydrophobicContact CD2-CG2 3.85Å; L15-T85 HydrophobicContact CD2-CG2 3.89Å; L15-F89 HydrophobicContact CD1-CE1 3.85Å; L15-F89 HydrophobicContact CD1-CE2 4.5Å; L15-F89 HydrophobicContact CD1-CZ 3.82Å; L15-F89 HydrophobicContact CD2-CE1 3.56Å; L15-F89 HydrophobicContact CD2-CZ 3.93Å; L15-F89 HydrophobicContact CG-CE1 4.37Å; L15-F95 HydrophobicContact CD1-CD1 3.62Å; L15-F95 HydrophobicContact CD1-CE1 4.23Å; L15-F95 HydrophobicContact CD1-CG 4.42Å; L15-F95 HydrophobicContact CG-CD1 4.4Å; L15-L96 PolarHBondContact N-O 2.9Å; L15-L97 HydrophobicContact CB-CD1 4.24Å; L15-M98 WeakPolarHBondContact O-CB 3.35Å; L15-M98 PolarHBondContact O-N 3.21Å; L15-W113 HydrophobicContact CD2-CZ3 4.41Å; L15-L117 HydrophobicContact CD1-CD1 3.96Å; L15-L117 HydrophobicContact CD1-CD2 3.42Å; L15-L117 VanDerWaalsContact CD1-CD2 3.42Å; L15-L117 HydrophobicContact CD1-CG 3.82Å |
| 16 | G | 93.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | 140.3 | 172.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K22 G77 M98 W113 | G16-K22 PolarHBondContact O-NZ 3.02Å; G16-G77 WeakPolarHBondContact O-CA 3.49Å; G16-M98 WeakPolarHBondContact CA-O 3.18Å; G16-W113 WeakPolarHBondContact O-CZ2 3.34Å | ||
| 17 | D | 92.5 | Very high | 93.8 | Very high | 27 Ų | 27 | 26.8 Ų | 26.8 | 14% | 0.144 | 15% | 0.147 | C | C | . | . | trans | -62.3 | 164.5 | -176.5 | -73.4 | 3.2 | 0 | 0 | 0 | 112.9 | V20 K22 N109 W113 | D17-V20 HydrophobicContact CB-CG1 3.81Å; D17-V20 VanDerWaalsContact O-CG2 3.27Å; D17-V20 WeakPolarHBondContact O-CG2 3.45Å; D17-K22 PolarHBondContact O-NZ 3.34Å; D17-N109 WeakPolarHBondContact OD2-CB 3.19Å; D17-N109 PolarHBondContact OD2-ND2 3.1Å; D17-W113 PolarHBondContact OD1-NE1 3.29Å | ||
| 18 | S | 90.6 | Very high | 94 | Very high | 48 Ų | 48 | 24.6 Ų | 24.6 | 34% | 0.336 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 137.9 | 171.4 | -173.6 | 0 | 0 | 0 | 0 | 109.8 | V20 G77 | S18-V20 VanDerWaalsContact C-N 3.33Å; S18-V20 PolarHBondContact O-N 3.4Å; S18-G77 PolarHBondContact N-O 3.42Å |
| 19 | G | 91.5 | Very high | 94.2 | Very high | 27 Ų | 27 | 21.4 Ų | 21.4 | 28% | 0.278 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | -7.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | G21 K134 | G19-G21 PolarHBondContact O-N 3.02Å; G19-K134 WeakPolarHBondContact O-CE 3.46Å; G19-K134 PolarHBondContact O-NZ 2.84Å |
| 20 | V | 95.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.012 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -69.9 | -13.2 | 178.6 | -53.3 | 0 | 0 | 0 | 0 | 113.6 | D17 S18 K22 M98 D100 N133 | D17-V20 HydrophobicContact CB-CG1 3.81Å; D17-V20 VanDerWaalsContact O-CG2 3.27Å; D17-V20 WeakPolarHBondContact O-CG2 3.45Å; S18-V20 VanDerWaalsContact C-N 3.33Å; S18-V20 PolarHBondContact O-N 3.4Å; V20-K22 HydrophobicContact CG2-CD 4.43Å; V20-K22 HydrophobicContact CG2-CG 3.76Å; V20-M98 HydrophobicContact CG2-CB 4.04Å; V20-D100 HydrophobicContact CB-CB 4.25Å; V20-D100 HydrophobicContact CG1-CB 4.13Å; V20-N133 PolarHBondContact O-ND2 2.73Å |
| 21 | G | 94.9 | Very high | 94.2 | Very high | 13 Ų | 13 | 22.9 Ų | 22.9 | 13% | 0.134 | 13% | 0.129 | C | C | . | . | trans | 98.9 | 25.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | G19 T24 F25 | G19-G21 PolarHBondContact O-N 3.02Å; G21-T24 PolarHBondContact O-N 2.63Å; G21-F25 VanDerWaalsContact O-CB 3.24Å; G21-F25 WeakPolarHBondContact O-CB 3.32Å; G21-F25 PolarHBondContact O-N 2.93Å | ||
| 22 | K | 95 | Very high | 94.1 | Very high | 9 Ų | 9 | 25.5 Ų | 25.5 | 4% | 0.039 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -53.1 | -55.2 | 176.8 | -58.3 | -173.2 | -63.6 | -76.4 | 0 | 113 | A14 L15 G16 D17 V20 T24 F25 L26 D74 T75 M98 | A14-K22 HydrophobicContact CB-CB 4.13Å; A14-K22 HydrophobicContact CB-CD 4.3Å; A14-K22 HydrophobicContact CB-CG 4.41Å; L15-K22 VanDerWaalsContact C-CD 3.47Å; G16-K22 PolarHBondContact O-NZ 3.02Å; D17-K22 PolarHBondContact O-NZ 3.34Å; V20-K22 HydrophobicContact CG2-CD 4.43Å; V20-K22 HydrophobicContact CG2-CG 3.76Å; K22-T24 PolarHBondContact O-N 3.31Å; K22-F25 WeakPolarHBondContact O-CB 3.37Å; K22-F25 PolarHBondContact O-N 2.78Å; K22-L26 WeakPolarHBondContact O-CG 3.31Å; K22-L26 PolarHBondContact O-N 2.89Å; K22-D74 WeakPolarHBondContact CB-OD1 3.24Å; K22-T75 WeakPolarHBondContact CE-O 3.45Å; K22-M98 HydrophobicContact CB-SD 4.24Å; K22-M98 HydrophobicContact CG-CB 4.41Å; K22-M98 HydrophobicContact CG-CG 4.49Å; K22-M98 HydrophobicContact CG-SD 3.92Å |
| 23 | T | 93.6 | Very high | 93.8 | Very high | 50 Ų | 50 | 31.3 Ų | 31.3 | 31% | 0.307 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -56.9 | -48 | 178.5 | -40.6 | 0 | 0 | 0 | 0 | 111.7 | F25 L26 Y27 T41 D74 | T23-F25 VanDerWaalsContact C-N 3.33Å; T23-F25 PolarHBondContact O-N 3.09Å; T23-L26 PolarHBondContact O-N 3.29Å; T23-Y27 WeakPolarHBondContact O-CB 3.41Å; T23-Y27 PolarHBondContact O-N 2.91Å; T23-T41 PolarHBondContact OG1-OG1 2.8Å; T23-D74 VanDerWaalsContact CB-OD2 3.28Å; T23-D74 WeakPolarHBondContact CB-OD2 3.16Å; T23-D74 WeakPolarHBondContact CG2-OD2 3.44Å; T23-D74 PolarHBondContact N-OD1 3.4Å; T23-D74 PolarHBondContact OG1-OD2 3.14Å |
| 24 | T | 94.8 | Very high | 93.5 | Very high | 35 Ų | 35 | 35.6 Ų | 35.6 | 22% | 0.215 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.7 | -36.4 | -179.3 | -42.6 | 0 | 0 | 0 | 0 | 112 | G21 K22 Y27 R28 F34 A164 | G21-T24 PolarHBondContact O-N 2.63Å; K22-T24 PolarHBondContact O-N 3.31Å; T24-Y27 PolarHBondContact O-N 3.33Å; T24-R28 WeakPolarHBondContact O-CB 3.21Å; T24-R28 PolarHBondContact O-N 3.4Å; T24-F34 HydrophobicContact CG2-CD2 3.37Å; T24-F34 HydrophobicContact CG2-CE2 3.55Å; T24-F34 HydrophobicContact CG2-CG 4.48Å; T24-A164 HydrophobicContact CG2-CB 3.95Å |
| 25 | F | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.8 | -47.6 | 174.9 | 178.5 | -83.2 | 0 | 0 | 0 | 111.3 | G21 K22 T23 Y27 R28 Y29 L96 M98 I131 T162 A164 V170 A173 V174 | G21-F25 VanDerWaalsContact O-CB 3.24Å; G21-F25 WeakPolarHBondContact O-CB 3.32Å; G21-F25 PolarHBondContact O-N 2.93Å; K22-F25 WeakPolarHBondContact O-CB 3.37Å; K22-F25 PolarHBondContact O-N 2.78Å; T23-F25 VanDerWaalsContact C-N 3.33Å; T23-F25 PolarHBondContact O-N 3.09Å; F25-Y27 VanDerWaalsContact C-N 3.33Å; F25-Y27 PolarHBondContact O-N 3.46Å; F25-R28 PolarHBondContact O-N 3.43Å; F25-Y29 PolarHBondContact O-N 3.24Å; F25-L96 HydrophobicContact CE1-CD1 4.16Å; F25-M98 HydrophobicContact CB-CE 3.7Å; F25-M98 HydrophobicContact CB-SD 4.19Å; F25-M98 HydrophobicContact CD1-CE 4.37Å; F25-M98 HydrophobicContact CD1-SD 4.25Å; F25-M98 HydrophobicContact CD2-CE 3.75Å; F25-M98 HydrophobicContact CE2-CE 4.49Å; F25-M98 HydrophobicContact CG-CE 3.69Å; F25-M98 HydrophobicContact CG-SD 4.12Å; F25-I131 HydrophobicContact CE1-CD1 4.3Å; F25-I131 HydrophobicContact CE2-CD1 4.2Å; F25-I131 HydrophobicContact CE2-CG2 4.33Å; F25-I131 HydrophobicContact CZ-CD1 3.81Å; F25-T162 HydrophobicContact CE2-CG2 4.02Å; F25-A164 HydrophobicContact CB-CB 4.37Å; F25-V170 HydrophobicContact CD2-CB 4.49Å; F25-V170 HydrophobicContact CD2-CG1 4.13Å; F25-V170 HydrophobicContact CD2-CG2 3.92Å; F25-V170 HydrophobicContact CE1-CG1 4.19Å; F25-V170 HydrophobicContact CE2-CB 3.99Å; F25-V170 HydrophobicContact CE2-CG1 3.8Å; F25-V170 HydrophobicContact CE2-CG2 3.75Å; F25-V170 HydrophobicContact CG-CG1 4.47Å; F25-V170 HydrophobicContact CZ-CB 4.32Å; F25-V170 HydrophobicContact CZ-CG1 3.82Å; F25-A173 HydrophobicContact CZ-CB 4.28Å; F25-V174 HydrophobicContact CE1-CG2 3.76Å; F25-V174 HydrophobicContact CZ-CG2 4.06Å |
| 26 | L | 95.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.6 | -37.8 | 176.3 | -65.3 | -178.4 | 0 | 0 | 0 | 111.8 | A14 K22 T23 Y29 T30 L72 D74 L96 | A14-L26 HydrophobicContact CB-CD1 3.97Å; A14-L26 HydrophobicContact CB-CD2 4.5Å; A14-L26 HydrophobicContact CB-CG 4.35Å; K22-L26 WeakPolarHBondContact O-CG 3.31Å; K22-L26 PolarHBondContact O-N 2.89Å; T23-L26 PolarHBondContact O-N 3.29Å; L26-Y29 PolarHBondContact O-N 2.83Å; L26-T30 WeakPolarHBondContact O-CB 3.24Å; L26-T30 WeakPolarHBondContact O-CG2 3.23Å; L26-T30 PolarHBondContact O-N 3.39Å; L26-T30 PolarHBondContact O-OG1 3.19Å; L26-L72 HydrophobicContact CD1-CB 4.36Å; L26-L72 HydrophobicContact CD2-CB 4.02Å; L26-L72 HydrophobicContact CD2-CD2 4.1Å; L26-L72 HydrophobicContact CD2-CG 4.46Å; L26-D74 HydrophobicContact CD1-CB 3.78Å; L26-L96 HydrophobicContact CD2-CD1 4.04Å |
| 27 | Y | 94.3 | Very high | 91.6 | Very high | 73 Ų | 73 | 51.7 Ų | 51.7 | 29% | 0.286 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | 174.2 | -155.9 | -92.9 | 0 | 0 | 0 | 111.8 | T23 T24 F25 T30 D31 K33 | T23-Y27 WeakPolarHBondContact O-CB 3.41Å; T23-Y27 PolarHBondContact O-N 2.91Å; T24-Y27 PolarHBondContact O-N 3.33Å; F25-Y27 VanDerWaalsContact C-N 3.33Å; F25-Y27 PolarHBondContact O-N 3.46Å; Y27-T30 PolarHBondContact O-N 2.83Å; Y27-T30 PolarHBondContact O-OG1 3.2Å; Y27-D31 HydrophobicContact CD1-CB 4.36Å; Y27-D31 HydrophobicContact CE1-CB 4.16Å; Y27-D31 WeakPolarHBondContact CE2-OD2 3.45Å; Y27-D31 VanDerWaalsContact CZ-OD2 3.27Å; Y27-D31 PolarHBondContact O-N 2.93Å; Y27-K33 HydrophobicContact CD1-CB 3.82Å; Y27-K33 HydrophobicContact CE1-CB 3.49Å; Y27-K33 VanDerWaalsContact CE1-CB 3.49Å; Y27-K33 HydrophobicContact CE1-CD 4.14Å; Y27-K33 HydrophobicContact CE1-CG 4.46Å |
| 28 | R | 96.1 | Very high | 90.4 | Very high | 37 Ų | 37 | 56.6 Ų | 56.6 | 14% | 0.14 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 174 | 172 | 56.5 | 70.8 | -173.8 | 5.5 | 111 | T24 F25 N32 K33 F34 A164 A165 V170 | T24-R28 WeakPolarHBondContact O-CB 3.21Å; T24-R28 PolarHBondContact O-N 3.4Å; F25-R28 PolarHBondContact O-N 3.43Å; R28-N32 PolarHBondContact NH1-O 3.34Å; R28-N32 PolarHBondContact NH1-OD1 3.25Å; R28-N32 WeakPolarHBondContact O-CA 3.38Å; R28-N32 PolarHBondContact O-N 3.24Å; R28-N32 VanDerWaalsContact O-N 3.07Å; R28-K33 WeakPolarHBondContact CA-O 3.37Å; R28-F34 VanDerWaalsContact NH2-CB 3.26Å; R28-A164 HydrophobicContact CB-CB 4.43Å; R28-A164 PolarHBondContact NE-O 3.48Å; R28-A165 PolarHBondContact NH2-O 3.23Å; R28-V170 HydrophobicContact CB-CG1 4.47Å; R28-V170 HydrophobicContact CG-CB 4.25Å; R28-V170 HydrophobicContact CG-CG1 4.03Å; R28-V170 HydrophobicContact CG-CG2 3.95Å |
| 29 | Y | 96.9 | Very high | 89.8 | Confident | 5 Ų | 5 | 60.3 Ų | 60.3 | 2% | 0.02 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66 | -39.5 | 179.1 | 178.1 | -110.1 | 0 | 0 | 0 | 112.9 | F25 L26 K49 L70 L72 V170 E171 V174 | F25-Y29 PolarHBondContact O-N 3.24Å; L26-Y29 PolarHBondContact O-N 2.83Å; Y29-K49 HydrophobicContact CD1-CD 3.96Å; Y29-K49 HydrophobicContact CE1-CB 4.41Å; Y29-K49 HydrophobicContact CE1-CD 3.46Å; Y29-K49 VanDerWaalsContact CE1-CD 3.46Å; Y29-K49 HydrophobicContact CE2-CD 4.42Å; Y29-K49 WeakPolarHBondContact O-CE 3.39Å; Y29-K49 PolarHBondContact O-NZ 2.84Å; Y29-L70 HydrophobicContact CE1-CD1 3.82Å; Y29-L70 WeakPolarHBondContact OH-CD1 3.24Å; Y29-L72 HydrophobicContact CD1-CD1 3.62Å; Y29-L72 HydrophobicContact CD1-CD2 4.37Å; Y29-L72 HydrophobicContact CE1-CD1 3.87Å; Y29-L72 HydrophobicContact CE1-CD2 4.33Å; Y29-V170 HydrophobicContact CD2-CG1 4.45Å; Y29-E171 HydrophobicContact CD2-CG 4.22Å; Y29-E171 HydrophobicContact CE2-CG 4.4Å; Y29-V174 HydrophobicContact CD1-CG1 4.32Å; Y29-V174 HydrophobicContact CD1-CG2 4.34Å; Y29-V174 HydrophobicContact CD2-CB 4.07Å; Y29-V174 HydrophobicContact CD2-CG1 4.4Å; Y29-V174 HydrophobicContact CD2-CG2 3.93Å; Y29-V174 HydrophobicContact CE1-CB 4.4Å; Y29-V174 HydrophobicContact CE1-CG1 3.71Å; Y29-V174 HydrophobicContact CE2-CB 3.75Å; Y29-V174 HydrophobicContact CE2-CG1 3.83Å; Y29-V174 HydrophobicContact CE2-CG2 4.13Å; Y29-V174 HydrophobicContact CG-CG2 4.04Å; Y29-V174 VanDerWaalsContact CZ-CG1 3.43Å |
| 30 | T | 94.9 | Very high | 89.1 | Confident | 25 Ų | 25 | 61.6 Ų | 61.6 | 15% | 0.153 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -83.3 | -48.5 | -174.6 | 48.6 | 0 | 0 | 0 | 0 | 113.4 | L26 Y27 R47 K49 L72 | L26-T30 WeakPolarHBondContact O-CB 3.24Å; L26-T30 WeakPolarHBondContact O-CG2 3.23Å; L26-T30 PolarHBondContact O-N 3.39Å; L26-T30 PolarHBondContact O-OG1 3.19Å; Y27-T30 PolarHBondContact O-N 2.83Å; Y27-T30 PolarHBondContact O-OG1 3.2Å; T30-R47 HydrophobicContact CG2-CB 4.05Å; T30-R47 PolarHBondContact OG1-NH1 3.45Å; T30-K49 HydrophobicContact CG2-CB 4.23Å; T30-L72 HydrophobicContact CG2-CD1 3.34Å |
| 31 | D | 92.4 | Very high | 88.2 | Confident | 68 Ų | 68 | 62.6 Ų | 62.6 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -108.2 | -2.9 | -170.9 | -66.3 | -28.3 | 0 | 0 | 0 | 113.6 | Y27 K33 R47 | Y27-D31 HydrophobicContact CD1-CB 4.36Å; Y27-D31 HydrophobicContact CE1-CB 4.16Å; Y27-D31 WeakPolarHBondContact CE2-OD2 3.45Å; Y27-D31 VanDerWaalsContact CZ-OD2 3.27Å; Y27-D31 PolarHBondContact O-N 2.93Å; D31-K33 HydrophobicContact CB-CB 4.28Å; D31-K33 HydrophobicContact CB-CD 4.19Å; D31-K33 HydrophobicContact CB-CG 4.38Å; D31-K33 WeakPolarHBondContact O-CG 3.29Å; D31-K33 PolarHBondContact O-N 3.04Å; D31-R47 IonicContact OD1-NH1 3.62Å; D31-R47 IonicContact OD2-CZ 3.62Å; D31-R47 IonicContact OD2-NH1 2.63Å; D31-R47 PolarHBondContact OD2-NH1 2.91Å; D31-R47 IonicContact OD2-NH2 3.47Å |
| 32 | N | 92 | Very high | 87.2 | Confident | 113 Ų | 113 | 67.6 Ų | 67.6 | 60% | 0.604 | 35% | 0.345 | S | S | * | . | S | Bend | trans | 48.5 | 41.5 | -171 | -162.9 | 19 | 0 | 0 | 0 | 113.2 | R28 | R28-N32 PolarHBondContact NH1-O 3.34Å; R28-N32 PolarHBondContact NH1-OD1 3.25Å; R28-N32 WeakPolarHBondContact O-CA 3.38Å; R28-N32 PolarHBondContact O-N 3.24Å; R28-N32 VanDerWaalsContact O-N 3.07Å |
| 33 | K | 89.1 | Confident | 86.2 | Confident | 122 Ų | 122 | 67.7 Ų | 67.7 | 53% | 0.53 | 35% | 0.348 | S | S | . | . | trans | -127.2 | 154.8 | -179.1 | -76.2 | 172.4 | -169.8 | 173.9 | 0 | 110.6 | Y27 R28 D31 | Y27-K33 HydrophobicContact CD1-CB 3.82Å; Y27-K33 HydrophobicContact CE1-CB 3.49Å; Y27-K33 VanDerWaalsContact CE1-CB 3.49Å; Y27-K33 HydrophobicContact CE1-CD 4.14Å; Y27-K33 HydrophobicContact CE1-CG 4.46Å; R28-K33 WeakPolarHBondContact CA-O 3.37Å; D31-K33 HydrophobicContact CB-CB 4.28Å; D31-K33 HydrophobicContact CB-CD 4.19Å; D31-K33 HydrophobicContact CB-CG 4.38Å; D31-K33 WeakPolarHBondContact O-CG 3.29Å; D31-K33 PolarHBondContact O-N 3.04Å | ||
| 34 | F | 86.8 | Confident | 85.5 | Confident | 92 Ų | 92 | 67.3 Ų | 67.3 | 40% | 0.404 | 34% | 0.344 | S | S | . | . | trans | -126.1 | 126.6 | 172.6 | 174.4 | -102.9 | 0 | 0 | 0 | 109.3 | T24 R28 P36 A165 | T24-F34 HydrophobicContact CG2-CD2 3.37Å; T24-F34 HydrophobicContact CG2-CE2 3.55Å; T24-F34 HydrophobicContact CG2-CG 4.48Å; R28-F34 VanDerWaalsContact NH2-CB 3.26Å; F34-P36 HydrophobicContact CE1-CB 3.8Å; F34-P36 HydrophobicContact CZ-CB 4.39Å; F34-A165 HydrophobicContact CD2-CB 4.14Å; F34-A165 HydrophobicContact CE1-CB 4.33Å; F34-A165 HydrophobicContact CE2-CB 3.86Å; F34-A165 HydrophobicContact CG-CB 4.49Å; F34-A165 HydrophobicContact CZ-CB 3.97Å | ||
| 35 | N | 82.2 | Confident | 85.1 | Confident | 75 Ų | 75 | 69.7 Ų | 69.7 | 40% | 0.401 | 36% | 0.355 | S | S | . | . | trans | -107.7 | 114.6 | 170.7 | -174.3 | -4.9 | 0 | 0 | 0 | 108.4 | K37 | N35-K37 PolarHBondContact O-N 3.3Å; N35-K37 WeakPolarHBondContact OD1-CB 3.48Å; N35-K37 PolarHBondContact OD1-N 3.05Å | ||
| 36 | P | 77.6 | Confident | 84.7 | Confident | 104 Ų | 104 | 74.1 Ų | 74.1 | 68% | 0.675 | 38% | 0.375 | S | S | * | . | trans | -71 | -16.3 | 179.7 | 27.9 | -34 | 0 | 0 | 0 | 112.9 | F34 F38 | F34-P36 HydrophobicContact CE1-CB 3.8Å; F34-P36 HydrophobicContact CZ-CB 4.39Å; P36-F38 PolarHBondContact O-N 2.8Å | ||
| 37 | K | 79.9 | Confident | 84.5 | Confident | 159 Ų | 159 | 77.2 Ų | 77.2 | 69% | 0.691 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -71.5 | 114.6 | 178.7 | -65.3 | -175.4 | -179.6 | -179.2 | 0 | 109.5 | N35 I39 | N35-K37 PolarHBondContact O-N 3.3Å; N35-K37 WeakPolarHBondContact OD1-CB 3.48Å; N35-K37 PolarHBondContact OD1-N 3.05Å; K37-I39 PolarHBondContact O-N 3.2Å |
| 38 | F | 69.1 | Low | 84.5 | Confident | 131 Ų | 131 | 78.2 Ų | 78.2 | 58% | 0.575 | 39% | 0.394 | S | S | * | . | trans | -70.8 | 113.5 | 171.4 | -176.2 | -105.8 | 0 | 0 | 0 | 109.9 | P36 T40 | P36-F38 PolarHBondContact O-N 2.8Å; F38-T40 VanDerWaalsContact CE1-OG1 3.26Å; F38-T40 WeakPolarHBondContact CE1-OG1 3.3Å | ||
| 39 | I | 76.3 | Confident | 84.4 | Confident | 125 Ų | 125 | 78.7 Ų | 78.7 | 64% | 0.641 | 40% | 0.397 | S | S | * | . | trans | -116.9 | 119.4 | 169.6 | -57.5 | 176 | 0 | 0 | 0 | 106.1 | K37 T41 | K37-I39 PolarHBondContact O-N 3.2Å; I39-T41 PolarHBondContact O-N 3.36Å | ||
| 40 | T | 77.4 | Confident | 84.3 | Confident | 54 Ų | 54 | 85.4 Ų | 85.4 | 33% | 0.331 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 124.6 | 177.6 | -53.7 | 0 | 0 | 0 | 0 | 109.7 | F38 V42 | F38-T40 VanDerWaalsContact CE1-OG1 3.26Å; F38-T40 WeakPolarHBondContact CE1-OG1 3.3Å; T40-V42 PolarHBondContact O-N 2.55Å |
| 41 | T | 75.7 | Confident | 84.3 | Confident | 24 Ų | 24 | 85.5 Ų | 85.5 | 15% | 0.147 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 123.2 | 171.1 | -50.3 | 0 | 0 | 0 | 0 | 109.9 | T23 I39 D74 A76 | T23-T41 PolarHBondContact OG1-OG1 2.8Å; I39-T41 PolarHBondContact O-N 3.36Å; T41-D74 PolarHBondContact OG1-OD2 2.82Å; T41-A76 WeakPolarHBondContact O-CB 3.33Å |
| 42 | V | 74.8 | Confident | 84.4 | Confident | 117 Ų | 117 | 86.7 Ų | 86.7 | 71% | 0.709 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -96.5 | 117.8 | 173.1 | 179.7 | 0 | 0 | 0 | 0 | 107.7 | T40 I44 F81 | T40-V42 PolarHBondContact O-N 2.55Å; V42-I44 PolarHBondContact O-N 2.77Å; V42-F81 HydrophobicContact CG1-CZ 4.27Å |
| 43 | G | 73.6 | Confident | 84.4 | Confident | 11 Ų | 11 | 82.3 Ų | 82.3 | 11% | 0.113 | 41% | 0.407 | C | S | . | . | S | Bend | trans | 72.4 | -123.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A76 | G43-A76 WeakPolarHBondContact O-CB 3.39Å; G43-A76 PolarHBondContact O-N 3.44Å |
| 44 | I | 79.8 | Confident | 84.4 | Confident | 43 Ų | 43 | 81.5 Ų | 81.5 | 22% | 0.221 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 136.2 | -173.2 | -66.8 | 171.3 | 0 | 0 | 0 | 108.4 | V42 W73 D74 L84 F88 | V42-I44 PolarHBondContact O-N 2.77Å; I44-W73 HydrophobicContact CG2-CE3 3.6Å; I44-W73 HydrophobicContact CG2-CZ3 3.96Å; I44-D74 WeakPolarHBondContact CA-O 3.09Å; I44-L84 HydrophobicContact CD1-CD2 4.38Å; I44-L84 HydrophobicContact CD1-CG 4.05Å; I44-F88 HydrophobicContact CD1-CD1 4.35Å; I44-F88 HydrophobicContact CD1-CD2 3.13Å; I44-F88 HydrophobicContact CD1-CE1 4.3Å; I44-F88 HydrophobicContact CD1-CE2 3.09Å; I44-F88 HydrophobicContact CD1-CG 3.81Å; I44-F88 HydrophobicContact CD1-CZ 3.71Å; I44-F88 HydrophobicContact CG1-CE2 4.48Å; I44-F88 HydrophobicContact CG2-CE1 4.47Å |
| 45 | D | 86.4 | Confident | 84.3 | Confident | 84 Ų | 84 | 78 Ų | 78 | 45% | 0.449 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 162.9 | 173.3 | -165.9 | 10.1 | 0 | 0 | 0 | 108.5 | D74 | D45-D74 HydrophobicContact CB-CB 4.44Å; D45-D74 PolarHBondContact N-O 3.14Å; D45-D74 VanDerWaalsContact N-O 3.09Å; D45-D74 PolarHBondContact O-N 2.88Å |
| 46 | F | 87.4 | Confident | 84.2 | Confident | 94 Ų | 94 | 84.9 Ų | 84.9 | 41% | 0.412 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 153.7 | 173.2 | 76.5 | -83.3 | 0 | 0 | 0 | 112 | E48 L72 W73 | F46-E48 HydrophobicContact CD2-CG 4.05Å; F46-E48 HydrophobicContact CE2-CG 3.89Å; F46-L72 CarbonylContact C-O 3.58Å; F46-L72 VanDerWaalsContact CA-O 3.27Å; F46-L72 WeakPolarHBondContact CA-O 3.36Å; F46-W73 HydrophobicContact CB-CD2 3.99Å; F46-W73 HydrophobicContact CB-CE3 3.99Å; F46-W73 HydrophobicContact CB-CG 4.34Å; F46-W73 HydrophobicContact CB-CZ3 4.4Å; F46-W73 HydrophobicContact CD1-CZ3 4.41Å |
| 47 | R | 91.2 | Very high | 83.9 | Confident | 65 Ų | 65 | 80.7 Ų | 80.7 | 25% | 0.245 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 152.9 | 177.7 | -65.3 | -174.5 | 147 | -110.1 | -21.9 | 110.5 | T30 D31 L72 | T30-R47 HydrophobicContact CG2-CB 4.05Å; T30-R47 PolarHBondContact OG1-NH1 3.45Å; D31-R47 IonicContact OD1-NH1 3.62Å; D31-R47 IonicContact OD2-CZ 3.62Å; D31-R47 IonicContact OD2-NH1 2.63Å; D31-R47 PolarHBondContact OD2-NH1 2.91Å; D31-R47 IonicContact OD2-NH2 3.47Å; R47-L72 HydrophobicContact CB-CB 4.43Å; R47-L72 PolarHBondContact N-O 2.97Å; R47-L72 WeakPolarHBondContact O-CB 3.37Å; R47-L72 PolarHBondContact O-N 3.03Å |
| 48 | E | 94.9 | Very high | 83.3 | Confident | 95 Ų | 95 | 78.4 Ų | 78.4 | 44% | 0.444 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 140.8 | -179.5 | -56.6 | -167.2 | 127.2 | 0 | 0 | 111 | F46 H69 L70 Q71 | F46-E48 HydrophobicContact CD2-CG 4.05Å; F46-E48 HydrophobicContact CE2-CG 3.89Å; E48-H69 IonicContact OE1-CD2 3.41Å; E48-H69 IonicContact OE1-CE1 2.85Å; E48-H69 IonicContact OE1-NE2 3.99Å; E48-H69 PolarHBondContact OE1-NE2 3.01Å; E48-H69 IonicContact OE2-CE1 2.69Å; E48-H69 IonicContact OE2-NE2 3.85Å; E48-H69 PolarHBondContact OE2-NE2 3Å; E48-L70 VanDerWaalsContact CA-O 3.23Å; E48-L70 WeakPolarHBondContact CA-O 3.28Å; E48-Q71 HydrophobicContact CG-CG 4.28Å; E48-Q71 PolarHBondContact OE1-NE2 3Å |
| 49 | K | 94.9 | Very high | 83.5 | Confident | 47 Ų | 47 | 80.5 Ų | 80.5 | 20% | 0.204 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 127.9 | 172.3 | -167.6 | -177.5 | -175.1 | 179.6 | 0 | 109.6 | Y29 T30 V51 L70 | Y29-K49 HydrophobicContact CD1-CD 3.96Å; Y29-K49 HydrophobicContact CE1-CB 4.41Å; Y29-K49 HydrophobicContact CE1-CD 3.46Å; Y29-K49 VanDerWaalsContact CE1-CD 3.46Å; Y29-K49 HydrophobicContact CE2-CD 4.42Å; Y29-K49 WeakPolarHBondContact O-CE 3.39Å; Y29-K49 PolarHBondContact O-NZ 2.84Å; T30-K49 HydrophobicContact CG2-CB 4.23Å; K49-V51 HydrophobicContact CD-CG1 3.96Å; K49-V51 HydrophobicContact CG-CG1 4Å; K49-L70 PolarHBondContact N-O 3.36Å; K49-L70 WeakPolarHBondContact O-CB 3.32Å; K49-L70 PolarHBondContact O-N 3.24Å |
| 50 | R | 94.8 | Very high | 83.2 | Confident | 145 Ų | 145 | 77.6 Ų | 77.6 | 55% | 0.547 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 128.4 | 169.7 | -66.5 | -175.9 | 178.7 | -173.5 | 0.7 | 109.2 | D5 V68 | D5-R50 IonicContact OD2-NH1 3.81Å; R50-V68 WeakPolarHBondContact CA-O 3.47Å |
| 51 | V | 94.9 | Very high | 83.2 | Confident | 28 Ų | 28 | 77.7 Ų | 77.7 | 17% | 0.17 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 161.4 | 177.6 | -58.3 | 0 | 0 | 0 | 0 | 109.9 | K49 V68 L70 L178 | K49-V51 HydrophobicContact CD-CG1 3.96Å; K49-V51 HydrophobicContact CG-CG1 4Å; V51-V68 HydrophobicContact CG2-CB 3.85Å; V51-V68 HydrophobicContact CG2-CG1 4.35Å; V51-V68 PolarHBondContact N-O 2.95Å; V51-V68 PolarHBondContact O-N 2.93Å; V51-L70 HydrophobicContact CG1-CD1 3.93Å; V51-L70 HydrophobicContact CG2-CD1 3.8Å; V51-L70 HydrophobicContact CG2-CG 4.03Å; V51-L178 HydrophobicContact CG2-CD2 3.92Å |
| 52 | V | 93.6 | Very high | 83.2 | Confident | 92 Ų | 92 | 82.8 Ų | 82.8 | 56% | 0.558 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 116.9 | 173.2 | 179.5 | 0 | 0 | 0 | 0 | 107.8 | A65 F66 | V52-A65 HydrophobicContact CG1-CB 4.07Å; V52-F66 CarbonylContact C-O 3.58Å; V52-F66 WeakPolarHBondContact CA-O 3.35Å |
| 53 | Y | 92.1 | Very high | 83.3 | Confident | 22 Ų | 22 | 78.8 Ų | 78.8 | 9% | 0.086 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 123.1 | 173.9 | 176.7 | -99.9 | 0 | 0 | 0 | 109.5 | A65 F66 L178 D179 M182 | Y53-A65 CarbonylContact O-C 3.51Å; Y53-A65 WeakPolarHBondContact O-CA 3.44Å; Y53-F66 HydrophobicContact CD1-CD2 4.17Å; Y53-F66 PolarHBondContact N-O 3.04Å; Y53-F66 PolarHBondContact O-N 2.92Å; Y53-L178 HydrophobicContact CD2-CD2 4.29Å; Y53-L178 HydrophobicContact CD2-CG 4.23Å; Y53-D179 HydrophobicContact CE2-CB 4.3Å; Y53-D179 PolarHBondContact OH-OD1 3.4Å; Y53-M182 HydrophobicContact CD1-CB 4.23Å; Y53-M182 HydrophobicContact CD1-CE 3.57Å; Y53-M182 HydrophobicContact CD1-CG 3.93Å; Y53-M182 HydrophobicContact CD2-CG 4.14Å; Y53-M182 HydrophobicContact CE1-CB 3.67Å; Y53-M182 HydrophobicContact CE1-CE 3.95Å; Y53-M182 HydrophobicContact CE1-CG 3.88Å; Y53-M182 HydrophobicContact CE2-CB 4.13Å; Y53-M182 HydrophobicContact CE2-CG 4.11Å; Y53-M182 HydrophobicContact CG-CE 4.25Å; Y53-M182 HydrophobicContact CG-CG 4.04Å |
| 54 | N | 89.7 | Confident | 83.8 | Confident | 105 Ų | 105 | 84.7 Ų | 84.7 | 56% | 0.561 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 106.9 | 177 | -62.5 | -56.9 | 0 | 0 | 0 | 108.9 | A65 | N54-A65 VanDerWaalsContact OD1-CB 3.3Å; N54-A65 WeakPolarHBondContact OD1-CB 3.32Å |
| 55 | S | 83.6 | Confident | 84.2 | Confident | 17 Ų | 17 | 85.1 Ų | 85.1 | 12% | 0.119 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 150.2 | 174.1 | -171.4 | 0 | 0 | 0 | 0 | 109.8 | G63 K64 E186 | S55-G63 WeakPolarHBondContact O-CA 3.47Å; S55-G63 PolarHBondContact O-N 3.23Å; S55-K64 PolarHBondContact N-O 3.2Å; S55-E186 PolarHBondContact OG-OE1 3.09Å |
| 56 | R | 79.8 | Confident | 84.4 | Confident | 220 Ų | 220 | 82.1 Ų | 82.1 | 83% | 0.83 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 123.3 | 177 | -65 | -173.7 | -177.7 | -164.6 | 0.6 | 108.6 | ||
| 57 | G | 72.1 | Confident | 84.8 | Confident | 17 Ų | 17 | 82.3 Ų | 82.3 | 18% | 0.175 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 164.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N59 G60 S61 | G57-N59 PolarHBondContact O-N 3.25Å; G57-G60 PolarHBondContact O-N 3.05Å; G57-G60 VanDerWaalsContact O-N 3.07Å; G57-S61 PolarHBondContact N-O 3.4Å |
| 58 | P | 66.7 | Low | 85 | Confident | 111 Ų | 111 | 79.2 Ų | 79.2 | 72% | 0.721 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -53.9 | 133.1 | 171.3 | 23 | -31.9 | 0 | 0 | 0 | 109.3 | S61 | P58-S61 PolarHBondContact O-OG 3.13Š|
| 59 | N | 73.2 | Confident | 85 | Confident | 175 Ų | 175 | 75.6 Ų | 75.6 | 94% | 0.936 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | 73.4 | 18.6 | -176.9 | -45.1 | -40.2 | 0 | 0 | 0 | 116.2 | G57 S61 | G57-N59 PolarHBondContact O-N 3.25Å; N59-S61 VanDerWaalsContact C-N 3.31Å; N59-S61 PolarHBondContact O-N 3.32Å |
| 60 | G | 71.2 | Confident | 85.1 | Confident | 64 Ų | 64 | 73.4 Ų | 73.4 | 66% | 0.66 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | 79.8 | 12.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G57 | G57-G60 PolarHBondContact O-N 3.05Å; G57-G60 VanDerWaalsContact O-N 3.07Å |
| 61 | S | 76.6 | Confident | 85.1 | Confident | 55 Ų | 55 | 68 Ų | 68 | 39% | 0.385 | 39% | 0.389 | S | S | . | . | trans | -64.8 | 147 | 169.6 | 51.8 | 0 | 0 | 0 | 0 | 110.6 | G57 P58 N59 G63 | G57-S61 PolarHBondContact N-O 3.4Å; P58-S61 PolarHBondContact O-OG 3.13Å; N59-S61 VanDerWaalsContact C-N 3.31Å; N59-S61 PolarHBondContact O-N 3.32Å; S61-G63 PolarHBondContact O-N 2.76Å; S61-G63 VanDerWaalsContact O-N 3.14Å | ||
| 62 | P | 75.7 | Confident | 85.1 | Confident | 132 Ų | 132 | 66.7 Ų | 66.7 | 86% | 0.857 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 118.8 | 173.9 | 24.5 | -30.9 | 0 | 0 | 0 | 108.8 | ||
| 63 | G | 76.5 | Confident | 85 | Confident | 33 Ų | 33 | 64.6 Ų | 64.6 | 34% | 0.34 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -165 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S55 S61 | S55-G63 WeakPolarHBondContact O-CA 3.47Å; S55-G63 PolarHBondContact O-N 3.23Å; S61-G63 PolarHBondContact O-N 2.76Å; S61-G63 VanDerWaalsContact O-N 3.14Å |
| 64 | K | 84.2 | Confident | 85 | Confident | 135 Ų | 135 | 63.8 Ų | 63.8 | 59% | 0.587 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 136.9 | 178.3 | -174.6 | 170.2 | 171.6 | -171.2 | 0 | 110.4 | S55 F66 | S55-K64 PolarHBondContact N-O 3.2Å; K64-F66 HydrophobicContact CB-CE1 4.47Å; K64-F66 HydrophobicContact CB-CE2 3.86Å; K64-F66 HydrophobicContact CB-CZ 3.85Å; K64-F66 HydrophobicContact CD-CD1 4.26Å; K64-F66 HydrophobicContact CD-CE1 3.5Å; K64-F66 VanDerWaalsContact CD-CE1 3.5Å; K64-F66 HydrophobicContact CD-CE2 4.39Å; K64-F66 HydrophobicContact CD-CZ 3.59Å; K64-F66 VanDerWaalsContact CE-CE1 3.5Å; K64-F66 HydrophobicContact CG-CD1 4.29Å; K64-F66 HydrophobicContact CG-CD2 4.49Å; K64-F66 HydrophobicContact CG-CE1 3.88Å; K64-F66 HydrophobicContact CG-CE2 4.06Å; K64-F66 HydrophobicContact CG-CZ 3.76Å; K64-F66 WeakPolarHBondContact O-CD2 3.41Å |
| 65 | A | 88.9 | Confident | 84.7 | Confident | 52 Ų | 52 | 58.9 Ų | 58.9 | 43% | 0.43 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 134.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | V52 Y53 N54 | V52-A65 HydrophobicContact CG1-CB 4.07Å; Y53-A65 CarbonylContact O-C 3.51Å; Y53-A65 WeakPolarHBondContact O-CA 3.44Å; N54-A65 VanDerWaalsContact OD1-CB 3.3Å; N54-A65 WeakPolarHBondContact OD1-CB 3.32Å |
| 66 | F | 91.2 | Very high | 84.5 | Confident | 21 Ų | 21 | 58.1 Ų | 58.1 | 9% | 0.092 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 132.4 | 179.3 | -60.4 | -81.3 | 0 | 0 | 0 | 110 | D7 Y8 V52 Y53 K64 V68 M182 | D7-F66 HydrophobicContact CB-CB 4.3Å; D7-F66 HydrophobicContact CB-CD1 4.17Å; D7-F66 WeakPolarHBondContact OD2-CA 3.49Å; Y8-F66 HydrophobicContact CD2-CB 3.97Å; Y8-F66 HydrophobicContact CD2-CD1 4.19Å; Y8-F66 HydrophobicContact CD2-CG 4.21Å; Y8-F66 HydrophobicContact CE2-CB 3.99Å; Y8-F66 AromaticContact CE2-CD1 3.43Å; Y8-F66 HydrophobicContact CE2-CD1 3.43Å; Y8-F66 VanDerWaalsContact CE2-CD1 3.43Å; Y8-F66 HydrophobicContact CE2-CD2 4.38Å; Y8-F66 AromaticContact CE2-CE1 3.82Å; Y8-F66 HydrophobicContact CE2-CE1 3.82Å; Y8-F66 AromaticContact CE2-CG 3.7Å; Y8-F66 HydrophobicContact CE2-CG 3.7Å; Y8-F66 HydrophobicContact CE2-CZ 4.44Å; V52-F66 CarbonylContact C-O 3.58Å; V52-F66 WeakPolarHBondContact CA-O 3.35Å; Y53-F66 HydrophobicContact CD1-CD2 4.17Å; Y53-F66 PolarHBondContact N-O 3.04Å; Y53-F66 PolarHBondContact O-N 2.92Å; K64-F66 HydrophobicContact CB-CE1 4.47Å; K64-F66 HydrophobicContact CB-CE2 3.86Å; K64-F66 HydrophobicContact CB-CZ 3.85Å; K64-F66 HydrophobicContact CD-CD1 4.26Å; K64-F66 HydrophobicContact CD-CE1 3.5Å; K64-F66 VanDerWaalsContact CD-CE1 3.5Å; K64-F66 HydrophobicContact CD-CE2 4.39Å; K64-F66 HydrophobicContact CD-CZ 3.59Å; K64-F66 VanDerWaalsContact CE-CE1 3.5Å; K64-F66 HydrophobicContact CG-CD1 4.29Å; K64-F66 HydrophobicContact CG-CD2 4.49Å; K64-F66 HydrophobicContact CG-CE1 3.88Å; K64-F66 HydrophobicContact CG-CE2 4.06Å; K64-F66 HydrophobicContact CG-CZ 3.76Å; K64-F66 WeakPolarHBondContact O-CD2 3.41Å; F66-V68 PolarHBondContact O-N 3.4Å; F66-M182 HydrophobicContact CD2-CE 4.35Å |
| 67 | K | 94.2 | Very high | 83.9 | Confident | 97 Ų | 97 | 48.1 Ų | 48.1 | 42% | 0.422 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 118.2 | 170.1 | -64.2 | -175.9 | -171.9 | -176.7 | 0 | 108.5 | D5 D7 Y8 | D5-K67 VanDerWaalsContact O-CD 3.31Å; D5-K67 WeakPolarHBondContact O-CD 3.36Å; D5-K67 IonicContact OD1-NZ 3.62Å; D5-K67 PolarHBondContact OD1-NZ 2.84Å; D5-K67 IonicContact OD2-NZ 2.67Å; D7-K67 PolarHBondContact N-O 3.07Å; D7-K67 PolarHBondContact OD2-N 3.39Å; Y8-K67 PolarHBondContact N-O 3.33Å |
| 68 | V | 95.5 | Very high | 83.4 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 126.5 | 179.2 | -178.4 | 0 | 0 | 0 | 0 | 109.2 | Y8 I10 R50 V51 F66 L70 L178 | Y8-V68 CarbonylContact O-C 3.55Å; Y8-V68 WeakPolarHBondContact O-CA 3.17Å; I10-V68 HydrophobicContact CB-CG1 4.05Å; I10-V68 HydrophobicContact CG1-CG1 3.63Å; R50-V68 WeakPolarHBondContact CA-O 3.47Å; V51-V68 HydrophobicContact CG2-CB 3.85Å; V51-V68 HydrophobicContact CG2-CG1 4.35Å; V51-V68 PolarHBondContact N-O 2.95Å; V51-V68 PolarHBondContact O-N 2.93Å; F66-V68 PolarHBondContact O-N 3.4Å; V68-L70 HydrophobicContact CG1-CD2 3.89Å; V68-L70 HydrophobicContact CG1-CG 4.22Å; V68-L178 HydrophobicContact CG1-CD1 4.14Å |
| 69 | H | 96.1 | Very high | 83.1 | Confident | 19 Ų | 19 | 49.8 Ų | 49.8 | 9% | 0.088 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 107.2 | 167.9 | -169.4 | 117.7 | 0 | 0 | 0 | 108 | Y6 Y8 L9 I10 E48 | Y6-H69 HydrophobicContact CD1-CB 3.77Å; Y6-H69 AromaticContact CD1-ND1 3.99Å; Y6-H69 HydrophobicContact CD2-CB 3.94Å; Y6-H69 HydrophobicContact CE1-CB 4.27Å; Y6-H69 HydrophobicContact CE2-CB 4.41Å; Y6-H69 HydrophobicContact CG-CB 3.6Å; Y8-H69 PolarHBondContact O-N 3.05Å; L9-H69 WeakPolarHBondContact CA-O 3.5Å; L9-H69 HydrophobicContact CD1-CB 4.18Å; L9-H69 WeakPolarHBondContact CD1-O 3.42Å; I10-H69 PolarHBondContact N-O 3.27Å; E48-H69 IonicContact OE1-CD2 3.41Å; E48-H69 IonicContact OE1-CE1 2.85Å; E48-H69 IonicContact OE1-NE2 3.99Å; E48-H69 PolarHBondContact OE1-NE2 3.01Å; E48-H69 IonicContact OE2-CE1 2.69Å; E48-H69 IonicContact OE2-NE2 3.85Å; E48-H69 PolarHBondContact OE2-NE2 3Å |
| 70 | L | 96.1 | Very high | 82.4 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 128.7 | 177.1 | -64.2 | 172 | 0 | 0 | 0 | 109.7 | I10 L12 Y29 E48 K49 V51 V68 L72 L178 | I10-L70 HydrophobicContact CB-CD2 4.01Å; I10-L70 HydrophobicContact CG2-CD2 4.14Å; I10-L70 WeakPolarHBondContact O-CA 3.4Å; L12-L70 HydrophobicContact CD1-CD2 4.15Å; Y29-L70 HydrophobicContact CE1-CD1 3.82Å; Y29-L70 WeakPolarHBondContact OH-CD1 3.24Å; E48-L70 VanDerWaalsContact CA-O 3.23Å; E48-L70 WeakPolarHBondContact CA-O 3.28Å; K49-L70 PolarHBondContact N-O 3.36Å; K49-L70 WeakPolarHBondContact O-CB 3.32Å; K49-L70 PolarHBondContact O-N 3.24Å; V51-L70 HydrophobicContact CG1-CD1 3.93Å; V51-L70 HydrophobicContact CG2-CD1 3.8Å; V51-L70 HydrophobicContact CG2-CG 4.03Å; V68-L70 HydrophobicContact CG1-CD2 3.89Å; V68-L70 HydrophobicContact CG1-CG 4.22Å; L70-L72 HydrophobicContact CB-CG 4.4Å; L70-L178 HydrophobicContact CD2-CD1 4.15Å; L70-L178 HydrophobicContact CD2-CD2 4.5Å |
| 71 | Q | 95.6 | Very high | 82 | Confident | 31 Ų | 31 | 49.8 Ų | 49.8 | 15% | 0.145 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 112.6 | 163 | -74.5 | -175.6 | -17.9 | 0 | 0 | 108.8 | L9 I10 K11 L12 E48 | L9-Q71 HydrophobicContact CD1-CG 3.86Å; I10-Q71 PolarHBondContact O-N 3.15Å; K11-Q71 CarbonylContact C-O 3.38Å; K11-Q71 WeakPolarHBondContact CA-O 3.25Å; K11-Q71 HydrophobicContact CG-CB 4.16Å; L12-Q71 PolarHBondContact N-O 2.88Å; E48-Q71 HydrophobicContact CG-CG 4.28Å; E48-Q71 PolarHBondContact OE1-NE2 3Å |
| 72 | L | 94.6 | Very high | 81.4 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 102.3 | -175.3 | -60.5 | 157.9 | 0 | 0 | 0 | 108.3 | L12 L26 Y29 T30 F46 R47 L70 | L12-L72 HydrophobicContact CB-CD2 4.19Å; L12-L72 HydrophobicContact CD1-CD2 3.9Å; L12-L72 HydrophobicContact CG-CD2 4.45Å; L26-L72 HydrophobicContact CD1-CB 4.36Å; L26-L72 HydrophobicContact CD2-CB 4.02Å; L26-L72 HydrophobicContact CD2-CD2 4.1Å; L26-L72 HydrophobicContact CD2-CG 4.46Å; Y29-L72 HydrophobicContact CD1-CD1 3.62Å; Y29-L72 HydrophobicContact CD1-CD2 4.37Å; Y29-L72 HydrophobicContact CE1-CD1 3.87Å; Y29-L72 HydrophobicContact CE1-CD2 4.33Å; T30-L72 HydrophobicContact CG2-CD1 3.34Å; F46-L72 CarbonylContact C-O 3.58Å; F46-L72 VanDerWaalsContact CA-O 3.27Å; F46-L72 WeakPolarHBondContact CA-O 3.36Å; R47-L72 HydrophobicContact CB-CB 4.43Å; R47-L72 PolarHBondContact N-O 2.97Å; R47-L72 WeakPolarHBondContact O-CB 3.37Å; R47-L72 PolarHBondContact O-N 3.03Å; L70-L72 HydrophobicContact CB-CG 4.4Å |
| 73 | W | 92.7 | Very high | 80.9 | Confident | 48 Ų | 48 | 49.2 Ų | 49.2 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 120.5 | -177.8 | -67.6 | 83.1 | 0 | 0 | 0 | 110.1 | L12 L13 A14 I44 F46 F88 | L12-W73 WeakPolarHBondContact O-CB 3.31Å; L12-W73 PolarHBondContact O-N 2.91Å; L13-W73 HydrophobicContact CD1-CB 3.27Å; L13-W73 HydrophobicContact CD1-CG 4.26Å; L13-W73 HydrophobicContact CG-CB 4.46Å; A14-W73 PolarHBondContact N-O 2.8Å; I44-W73 HydrophobicContact CG2-CE3 3.6Å; I44-W73 HydrophobicContact CG2-CZ3 3.96Å; F46-W73 HydrophobicContact CB-CD2 3.99Å; F46-W73 HydrophobicContact CB-CE3 3.99Å; F46-W73 HydrophobicContact CB-CG 4.34Å; F46-W73 HydrophobicContact CB-CZ3 4.4Å; F46-W73 HydrophobicContact CD1-CZ3 4.41Å; W73-F88 HydrophobicContact CD2-CD1 4.47Å; W73-F88 AromaticContact CE3-CD1 3.83Å; W73-F88 HydrophobicContact CE3-CD1 3.83Å; W73-F88 AromaticContact CE3-CE1 3.99Å; W73-F88 HydrophobicContact CE3-CE1 3.99Å; W73-F88 HydrophobicContact CH2-CD1 4.23Å; W73-F88 AromaticContact CH2-CE1 3.93Å; W73-F88 HydrophobicContact CH2-CE1 3.93Å; W73-F88 AromaticContact CZ3-CD1 3.7Å; W73-F88 HydrophobicContact CZ3-CD1 3.7Å; W73-F88 AromaticContact CZ3-CE1 3.41Å; W73-F88 HydrophobicContact CZ3-CE1 3.41Å; W73-F88 VanDerWaalsContact CZ3-CE1 3.41Å; W73-F88 HydrophobicContact CZ3-CZ 4.49Å |
| 74 | D | 90.3 | Very high | 80.3 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.032 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 128.6 | 172.9 | -170.2 | 30.7 | 0 | 0 | 0 | 109.7 | K22 T23 L26 T41 I44 D45 | K22-D74 WeakPolarHBondContact CB-OD1 3.24Å; T23-D74 VanDerWaalsContact CB-OD2 3.28Å; T23-D74 WeakPolarHBondContact CB-OD2 3.16Å; T23-D74 WeakPolarHBondContact CG2-OD2 3.44Å; T23-D74 PolarHBondContact N-OD1 3.4Å; T23-D74 PolarHBondContact OG1-OD2 3.14Å; L26-D74 HydrophobicContact CD1-CB 3.78Å; T41-D74 PolarHBondContact OG1-OD2 2.82Å; I44-D74 WeakPolarHBondContact CA-O 3.09Å; D45-D74 HydrophobicContact CB-CB 4.44Å; D45-D74 PolarHBondContact N-O 3.14Å; D45-D74 VanDerWaalsContact N-O 3.09Å; D45-D74 PolarHBondContact O-N 2.88Å |
| 75 | T | 84.8 | Confident | 79.5 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 144.1 | 179.2 | 61.8 | 0 | 0 | 0 | 0 | 111.5 | L13 A14 L15 K22 G77 T85 | L13-T75 HydrophobicContact CD1-CG2 3.36Å; L13-T75 HydrophobicContact CD2-CG2 4.31Å; L13-T75 HydrophobicContact CG-CG2 3.9Å; A14-T75 PolarHBondContact O-OG1 3.47Å; L15-T75 HydrophobicContact CD2-CG2 3.85Å; K22-T75 WeakPolarHBondContact CE-O 3.45Å; T75-G77 PolarHBondContact O-N 3.11Å; T75-T85 HydrophobicContact CG2-CG2 3.72Å |
| 76 | A | 79.4 | Confident | 78.6 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | trans | -62.1 | 124.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | T41 G43 Q78 F81 | T41-A76 WeakPolarHBondContact O-CB 3.33Å; G43-A76 WeakPolarHBondContact O-CB 3.39Å; G43-A76 PolarHBondContact O-N 3.44Å; A76-Q78 PolarHBondContact O-N 2.82Å; A76-F81 HydrophobicContact CB-CB 3.95Å; A76-F81 HydrophobicContact CB-CD2 3.68Å; A76-F81 HydrophobicContact CB-CG 4.08Å | ||
| 77 | G | 66.3 | Low | 77.6 | Confident | 10 Ų | 10 | 46.7 Ų | 46.7 | 10% | 0.103 | 23% | 0.234 | C | C | . | . | trans | -82.5 | 5.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G16 S18 T75 | G16-G77 WeakPolarHBondContact O-CA 3.49Å; S18-G77 PolarHBondContact N-O 3.42Å; T75-G77 PolarHBondContact O-N 3.11Å | ||
| 78 | Q | 61.8 | Low | 76.7 | Confident | 39 Ų | 39 | 44.7 Ų | 44.7 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -81.6 | 135.2 | 177.2 | -86.7 | -173.9 | 22.3 | 0 | 0 | 110.7 | A76 R80 F81 | A76-Q78 PolarHBondContact O-N 2.82Å; Q78-R80 PolarHBondContact O-N 3.23Å; Q78-R80 VanDerWaalsContact O-N 3.07Å; Q78-F81 HydrophobicContact CB-CD2 3.97Å; Q78-F81 HydrophobicContact CB-CE2 4.45Å; Q78-F81 PolarHBondContact O-N 3.34Å |
| 79 | E | 60.2 | Low | 75.9 | Confident | 124 Ų | 124 | 44.7 Ų | 44.7 | 58% | 0.579 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -53.7 | -31 | 177.5 | 62.6 | -70.3 | 156.3 | 0 | 0 | 113.2 | F81 R82 | E79-F81 PolarHBondContact O-N 3.26Å; E79-R82 WeakPolarHBondContact O-CB 3.34Å; E79-R82 PolarHBondContact O-N 2.67Å |
| 80 | R | 59.4 | Low | 75.1 | Confident | 181 Ų | 181 | 51.7 Ų | 51.7 | 68% | 0.683 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -64.4 | -20.1 | 177.7 | -61.7 | -172.6 | -64.9 | 172.9 | 0.6 | 114.3 | Q78 | Q78-R80 PolarHBondContact O-N 3.23Å; Q78-R80 VanDerWaalsContact O-N 3.07Å |
| 81 | F | 61.5 | Low | 74.4 | Confident | 57 Ų | 57 | 56.5 Ų | 56.5 | 25% | 0.25 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -107 | 9.4 | 178.8 | -60 | -66.7 | 0 | 0 | 0 | 113.3 | V42 A76 Q78 E79 S83 L84 T85 | V42-F81 HydrophobicContact CG1-CZ 4.27Å; A76-F81 HydrophobicContact CB-CB 3.95Å; A76-F81 HydrophobicContact CB-CD2 3.68Å; A76-F81 HydrophobicContact CB-CG 4.08Å; Q78-F81 HydrophobicContact CB-CD2 3.97Å; Q78-F81 HydrophobicContact CB-CE2 4.45Å; Q78-F81 PolarHBondContact O-N 3.34Å; E79-F81 PolarHBondContact O-N 3.26Å; F81-S83 VanDerWaalsContact C-N 3.34Å; F81-S83 PolarHBondContact O-N 3.19Å; F81-L84 WeakPolarHBondContact O-CB 3.34Å; F81-L84 PolarHBondContact O-N 3.3Å; F81-L84 VanDerWaalsContact O-N 3.16Å; F81-T85 PolarHBondContact O-N 3.07Å; F81-T85 VanDerWaalsContact O-N 3.14Å; F81-T85 PolarHBondContact O-OG1 2.88Å |
| 82 | R | 65 | Low | 74.1 | Confident | 72 Ų | 72 | 55.7 Ų | 55.7 | 27% | 0.272 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.1 | -41.1 | -179 | -84.1 | -177 | 132.2 | 129.7 | 16.2 | 113.5 | E79 L84 T85 T86 | E79-R82 WeakPolarHBondContact O-CB 3.34Å; E79-R82 PolarHBondContact O-N 2.67Å; R82-L84 VanDerWaalsContact C-N 3.3Å; R82-L84 PolarHBondContact O-N 3.44Å; R82-T85 WeakPolarHBondContact O-CB 3.3Å; R82-T85 PolarHBondContact O-N 3Å; R82-T85 VanDerWaalsContact O-N 3.1Å; R82-T86 PolarHBondContact O-N 2.64Å; R82-T86 PolarHBondContact O-OG1 2.99Å; R82-T86 VanDerWaalsContact O-OG1 3.08Å |
| 83 | S | 64 | Low | 73.9 | Confident | 104 Ų | 104 | 58.1 Ų | 58.1 | 73% | 0.727 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.1 | -35.2 | 178.4 | 52.1 | 0 | 0 | 0 | 0 | 113 | F81 T85 | F81-S83 VanDerWaalsContact C-N 3.34Å; F81-S83 PolarHBondContact O-N 3.19Å; S83-T85 VanDerWaalsContact C-N 3.32Å |
| 84 | L | 64.3 | Low | 74 | Confident | 81 Ų | 81 | 55.9 Ų | 55.9 | 42% | 0.424 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.7 | -33.8 | 174.9 | -173.3 | 65.2 | 0 | 0 | 0 | 111.4 | I44 F81 R82 F88 | I44-L84 HydrophobicContact CD1-CD2 4.38Å; I44-L84 HydrophobicContact CD1-CG 4.05Å; F81-L84 WeakPolarHBondContact O-CB 3.34Å; F81-L84 PolarHBondContact O-N 3.3Å; F81-L84 VanDerWaalsContact O-N 3.16Å; R82-L84 VanDerWaalsContact C-N 3.3Å; R82-L84 PolarHBondContact O-N 3.44Å; L84-F88 VanDerWaalsContact O-CD2 3.24Å; L84-F88 WeakPolarHBondContact O-CD2 3.46Å; L84-F88 WeakPolarHBondContact O-CE2 3.26Å |
| 85 | T | 67.3 | Low | 74.2 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.8 | -36.4 | -175.9 | -50.6 | 0 | 0 | 0 | 0 | 111.8 | L15 T75 F81 R82 S83 A87 F88 F89 | L15-T85 HydrophobicContact CD2-CG2 3.89Å; T75-T85 HydrophobicContact CG2-CG2 3.72Å; F81-T85 PolarHBondContact O-N 3.07Å; F81-T85 VanDerWaalsContact O-N 3.14Å; F81-T85 PolarHBondContact O-OG1 2.88Å; R82-T85 WeakPolarHBondContact O-CB 3.3Å; R82-T85 PolarHBondContact O-N 3Å; R82-T85 VanDerWaalsContact O-N 3.1Å; S83-T85 VanDerWaalsContact C-N 3.32Å; T85-A87 VanDerWaalsContact C-N 3.27Å; T85-A87 PolarHBondContact O-N 2.93Å; T85-F88 PolarHBondContact O-N 3.4Å; T85-F88 VanDerWaalsContact O-N 3.12Å; T85-F89 HydrophobicContact CG2-CD1 4.35Å; T85-F89 HydrophobicContact CG2-CE1 3.4Å; T85-F89 VanDerWaalsContact CG2-CE1 3.4Å; T85-F89 HydrophobicContact CG2-CZ 3.99Å; T85-F89 WeakPolarHBondContact O-CD1 3.19Å; T85-F89 WeakPolarHBondContact O-CE1 3.45Å |
| 86 | T | 70.1 | Confident | 74.8 | Confident | 42 Ų | 42 | 55.6 Ų | 55.6 | 26% | 0.258 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.1 | -31.2 | -177.9 | -43.8 | 0 | 0 | 0 | 0 | 113.7 | R82 F88 F89 N120 | R82-T86 PolarHBondContact O-N 2.64Å; R82-T86 PolarHBondContact O-OG1 2.99Å; R82-T86 VanDerWaalsContact O-OG1 3.08Å; T86-F88 PolarHBondContact O-N 2.66Å; T86-F89 PolarHBondContact O-N 2.91Å; T86-N120 HydrophobicContact CG2-CB 3.61Å; T86-N120 VanDerWaalsContact CG2-OD1 3.27Å; T86-N120 WeakPolarHBondContact CG2-OD1 3.42Å |
| 87 | A | 71.6 | Confident | 75.7 | Confident | 63 Ų | 63 | 55.6 Ų | 55.6 | 52% | 0.521 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -62.3 | -31.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T85 | T85-A87 VanDerWaalsContact C-N 3.27Å; T85-A87 PolarHBondContact O-N 2.93Å |
| 88 | F | 74.9 | Confident | 77.2 | Confident | 54 Ų | 54 | 55.1 Ų | 55.1 | 24% | 0.237 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -86.5 | -9.9 | -176.3 | -65.4 | -95.6 | 0 | 0 | 0 | 113.1 | I44 W73 L84 T85 T86 R90 D91 A92 | I44-F88 HydrophobicContact CD1-CD1 4.35Å; I44-F88 HydrophobicContact CD1-CD2 3.13Å; I44-F88 HydrophobicContact CD1-CE1 4.3Å; I44-F88 HydrophobicContact CD1-CE2 3.09Å; I44-F88 HydrophobicContact CD1-CG 3.81Å; I44-F88 HydrophobicContact CD1-CZ 3.71Å; I44-F88 HydrophobicContact CG1-CE2 4.48Å; I44-F88 HydrophobicContact CG2-CE1 4.47Å; W73-F88 HydrophobicContact CD2-CD1 4.47Å; W73-F88 AromaticContact CE3-CD1 3.83Å; W73-F88 HydrophobicContact CE3-CD1 3.83Å; W73-F88 AromaticContact CE3-CE1 3.99Å; W73-F88 HydrophobicContact CE3-CE1 3.99Å; W73-F88 HydrophobicContact CH2-CD1 4.23Å; W73-F88 AromaticContact CH2-CE1 3.93Å; W73-F88 HydrophobicContact CH2-CE1 3.93Å; W73-F88 AromaticContact CZ3-CD1 3.7Å; W73-F88 HydrophobicContact CZ3-CD1 3.7Å; W73-F88 AromaticContact CZ3-CE1 3.41Å; W73-F88 HydrophobicContact CZ3-CE1 3.41Å; W73-F88 VanDerWaalsContact CZ3-CE1 3.41Å; W73-F88 HydrophobicContact CZ3-CZ 4.49Å; L84-F88 VanDerWaalsContact O-CD2 3.24Å; L84-F88 WeakPolarHBondContact O-CD2 3.46Å; L84-F88 WeakPolarHBondContact O-CE2 3.26Å; T85-F88 PolarHBondContact O-N 3.4Å; T85-F88 VanDerWaalsContact O-N 3.12Å; T86-F88 PolarHBondContact O-N 2.66Å; F88-R90 PolarHBondContact O-N 2.82Å; F88-D91 PolarHBondContact O-N 2.88Å; F88-A92 PolarHBondContact O-N 2.86Å |
| 89 | F | 79 | Confident | 78.9 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -67.4 | -28.3 | 178.7 | -72.6 | 15.6 | 0 | 0 | 0 | 111.6 | L13 L15 T85 T86 F95 Q116 L117 N120 | L13-F89 HydrophobicContact CD2-CD1 3.51Å; L13-F89 HydrophobicContact CD2-CE1 3.74Å; L15-F89 HydrophobicContact CD1-CE1 3.85Å; L15-F89 HydrophobicContact CD1-CE2 4.5Å; L15-F89 HydrophobicContact CD1-CZ 3.82Å; L15-F89 HydrophobicContact CD2-CE1 3.56Å; L15-F89 HydrophobicContact CD2-CZ 3.93Å; L15-F89 HydrophobicContact CG-CE1 4.37Å; T85-F89 HydrophobicContact CG2-CD1 4.35Å; T85-F89 HydrophobicContact CG2-CE1 3.4Å; T85-F89 VanDerWaalsContact CG2-CE1 3.4Å; T85-F89 HydrophobicContact CG2-CZ 3.99Å; T85-F89 WeakPolarHBondContact O-CD1 3.19Å; T85-F89 WeakPolarHBondContact O-CE1 3.45Å; T86-F89 PolarHBondContact O-N 2.91Å; F89-F95 HydrophobicContact CD1-CE1 4.44Å; F89-F95 HydrophobicContact CG-CE1 4.46Å; F89-Q116 HydrophobicContact CE2-CB 4.18Å; F89-L117 HydrophobicContact CD2-CD2 3.96Å; F89-L117 HydrophobicContact CE2-CD2 4Å; F89-L117 HydrophobicContact CE2-CG 4.41Å; F89-L117 HydrophobicContact CG-CD2 4.41Å; F89-L117 HydrophobicContact CZ-CD2 4.44Å; F89-N120 HydrophobicContact CB-CB 4.3Å; F89-N120 HydrophobicContact CD2-CB 3.88Å |
| 90 | R | 78.2 | Confident | 80.7 | Confident | 166 Ų | 166 | 47.9 Ų | 47.9 | 63% | 0.626 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -28.1 | -179.3 | -67 | -178.3 | 179.8 | 174.6 | -0.3 | 113.2 | F88 N120 Y122 | F88-R90 PolarHBondContact O-N 2.82Å; R90-N120 WeakPolarHBondContact CG-O 3.42Å; R90-Y122 WeakPolarHBondContact O-CB 3.3Å |
| 91 | D | 81.5 | Confident | 82.6 | Confident | 102 Ų | 102 | 39.5 Ų | 39.5 | 55% | 0.545 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -9.6 | -176.2 | -68.8 | -13.1 | 0 | 0 | 0 | 113 | K11 F88 | K11-D91 VanDerWaalsContact CD-O 3.3Å; K11-D91 WeakPolarHBondContact CD-O 3.16Å; F88-D91 PolarHBondContact O-N 2.88Å |
| 92 | A | 88.7 | Confident | 84.4 | Confident | 14 Ų | 14 | 37.8 Ų | 37.8 | 12% | 0.116 | 20% | 0.202 | C | C | . | . | trans | -84.9 | 135 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L13 F88 F95 | L13-A92 HydrophobicContact CB-CB 3.79Å; L13-A92 HydrophobicContact CD2-CB 4.44Å; F88-A92 PolarHBondContact O-N 2.86Å; A92-F95 HydrophobicContact CB-CD1 4.39Å; A92-F95 HydrophobicContact CB-CE1 3.69Å; A92-F95 HydrophobicContact CB-CZ 3.78Å | ||
| 93 | M | 91.4 | Very high | 85.9 | Confident | 52 Ų | 52 | 36.1 Ų | 36.1 | 26% | 0.256 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -88.8 | -23.8 | 178.6 | -60 | 177.8 | 79.1 | 0 | 0 | 112.2 | I10 K11 I181 R184 M185 | I10-M93 HydrophobicContact CB-SD 4.45Å; I10-M93 HydrophobicContact CD1-CE 3.69Å; I10-M93 HydrophobicContact CD1-SD 3.67Å; I10-M93 HydrophobicContact CG2-SD 4.34Å; K11-M93 PolarHBondContact O-N 3.38Å; M93-I181 HydrophobicContact CB-CD1 4.26Å; M93-I181 HydrophobicContact CB-CG2 4.19Å; M93-I181 HydrophobicContact CE-CG2 4.03Å; M93-R184 PolarHBondContact O-NH2 3.23Å; M93-M185 HydrophobicContact CE-CE 4.08Å; M93-M185 HydrophobicContact CE-CG 4.29Å; M93-M185 HydrophobicContact CE-SD 3.49Å; M93-M185 WeakPolarHBondContact CE-SD 3.3Å |
| 94 | G | 94.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 164 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L12 L13 D127 | L12-G94 WeakPolarHBondContact CA-O 3.4Å; L13-G94 PolarHBondContact N-O 3.44Å; G94-D127 CarbonylContact C-O 3.59Å; G94-D127 WeakPolarHBondContact CA-O 3.49Å |
| 95 | F | 95.5 | Very high | 89.1 | Confident | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 131.2 | -168.8 | -56.2 | -89.2 | 0 | 0 | 0 | 112 | L13 L15 F89 A92 L117 A121 P126 D127 I128 V129 | L13-F95 HydrophobicContact CB-CD1 3.82Å; L13-F95 HydrophobicContact CB-CE1 4.09Å; L13-F95 HydrophobicContact CD2-CD1 3.97Å; L13-F95 HydrophobicContact CD2-CE1 3.7Å; L13-F95 HydrophobicContact CG-CD1 4.36Å; L13-F95 HydrophobicContact CG-CE1 4.49Å; L13-F95 WeakPolarHBondContact O-CA 3.39Å; L15-F95 HydrophobicContact CD1-CD1 3.62Å; L15-F95 HydrophobicContact CD1-CE1 4.23Å; L15-F95 HydrophobicContact CD1-CG 4.42Å; L15-F95 HydrophobicContact CG-CD1 4.4Å; F89-F95 HydrophobicContact CD1-CE1 4.44Å; F89-F95 HydrophobicContact CG-CE1 4.46Å; A92-F95 HydrophobicContact CB-CD1 4.39Å; A92-F95 HydrophobicContact CB-CE1 3.69Å; A92-F95 HydrophobicContact CB-CZ 3.78Å; F95-L117 HydrophobicContact CB-CD1 4.24Å; F95-L117 HydrophobicContact CB-CD2 4.46Å; F95-L117 HydrophobicContact CD1-CD2 3.36Å; F95-L117 HydrophobicContact CD2-CD2 3.91Å; F95-L117 HydrophobicContact CE1-CD2 3.34Å; F95-L117 HydrophobicContact CE2-CD2 3.92Å; F95-L117 HydrophobicContact CG-CD1 4.23Å; F95-L117 HydrophobicContact CG-CD2 3.64Å; F95-L117 HydrophobicContact CZ-CD2 3.63Å; F95-A121 HydrophobicContact CE2-CB 4.39Å; F95-A121 HydrophobicContact CZ-CB 4.41Å; F95-P126 HydrophobicContact CD2-CB 3.73Å; F95-P126 HydrophobicContact CD2-CG 4.22Å; F95-P126 HydrophobicContact CE2-CB 3.43Å; F95-P126 VanDerWaalsContact CE2-CB 3.43Å; F95-P126 HydrophobicContact CE2-CG 4.01Å; F95-D127 PolarHBondContact N-O 3.42Å; F95-I128 HydrophobicContact CB-CG1 4.22Å; F95-I128 HydrophobicContact CD2-CG1 4.22Å; F95-I128 WeakPolarHBondContact O-CA 3.09Å; F95-V129 PolarHBondContact O-N 3.45Å |
| 96 | L | 97.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 94.8 | 167.9 | -61.6 | 165 | 0 | 0 | 0 | 106.8 | L13 A14 L15 F25 L26 M98 I131 V174 L177 | L13-L96 PolarHBondContact O-N 3.04Å; A14-L96 WeakPolarHBondContact CA-O 3.16Å; A14-L96 HydrophobicContact CB-CB 4.39Å; L15-L96 PolarHBondContact N-O 2.9Å; F25-L96 HydrophobicContact CE1-CD1 4.16Å; L26-L96 HydrophobicContact CD2-CD1 4.04Å; L96-M98 PolarHBondContact O-N 3.08Å; L96-I131 HydrophobicContact CB-CD1 4.11Å; L96-I131 HydrophobicContact CD2-CD1 3.71Å; L96-I131 HydrophobicContact CG-CD1 4.48Å; L96-V174 HydrophobicContact CD1-CG2 4.32Å; L96-V174 HydrophobicContact CD2-CG2 4.33Å; L96-L177 HydrophobicContact CD2-CB 4.45Å; L96-L177 HydrophobicContact CD2-CD2 3.58Å; L96-L177 HydrophobicContact CG-CD2 3.75Å |
| 97 | L | 96.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 107.8 | -178 | -179.4 | 55.6 | 0 | 0 | 0 | 109.5 | L15 V110 W113 M114 I128 V129 L130 I131 | L15-L97 HydrophobicContact CB-CD1 4.24Å; L97-V110 HydrophobicContact CD2-CG1 3.8Å; L97-V110 HydrophobicContact CG-CG1 4.27Å; L97-W113 HydrophobicContact CD1-CB 3.59Å; L97-W113 HydrophobicContact CD1-CG 4.16Å; L97-M114 HydrophobicContact CD2-SD 4.27Å; L97-I128 HydrophobicContact CB-CG2 3.88Å; L97-I128 HydrophobicContact CD2-CG2 4.41Å; L97-V129 PolarHBondContact N-O 3.4Å; L97-L130 HydrophobicContact CD2-CD1 4.33Å; L97-L130 HydrophobicContact CG-CD1 4.14Å; L97-L130 CarbonylContact O-C 3.49Å; L97-L130 WeakPolarHBondContact O-CA 3.33Å; L97-I131 PolarHBondContact O-N 2.93Å |
| 98 | M | 97.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 141.1 | -168.2 | -53 | -169.5 | 60.8 | 0 | 0 | 112.6 | L15 G16 V20 K22 F25 L96 I131 N133 | L15-M98 WeakPolarHBondContact O-CB 3.35Å; L15-M98 PolarHBondContact O-N 3.21Å; G16-M98 WeakPolarHBondContact CA-O 3.18Å; V20-M98 HydrophobicContact CG2-CB 4.04Å; K22-M98 HydrophobicContact CB-SD 4.24Å; K22-M98 HydrophobicContact CG-CB 4.41Å; K22-M98 HydrophobicContact CG-CG 4.49Å; K22-M98 HydrophobicContact CG-SD 3.92Å; F25-M98 HydrophobicContact CB-CE 3.7Å; F25-M98 HydrophobicContact CB-SD 4.19Å; F25-M98 HydrophobicContact CD1-CE 4.37Å; F25-M98 HydrophobicContact CD1-SD 4.25Å; F25-M98 HydrophobicContact CD2-CE 3.75Å; F25-M98 HydrophobicContact CE2-CE 4.49Å; F25-M98 HydrophobicContact CG-CE 3.69Å; F25-M98 HydrophobicContact CG-SD 4.12Å; L96-M98 PolarHBondContact O-N 3.08Å; M98-I131 CarbonylContact C-O 3.5Å; M98-I131 WeakPolarHBondContact CA-O 3.43Å; M98-I131 HydrophobicContact CE-CG2 3.94Å; M98-I131 HydrophobicContact CG-CB 4.1Å; M98-I131 HydrophobicContact CG-CD1 4.37Å; M98-I131 HydrophobicContact CG-CG2 4.43Å; M98-N133 HydrophobicContact CE-CB 3.88Å |
| 99 | F | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 169.6 | 164.5 | 70.2 | -87.5 | 0 | 0 | 0 | 110.1 | L101 F107 V110 L130 I131 N133 V143 A148 Y159 | F99-L101 HydrophobicContact CE2-CD2 3.94Å; F99-L101 HydrophobicContact CE2-CG 4.46Å; F99-L101 HydrophobicContact CZ-CD2 4.33Å; F99-F107 HydrophobicContact CD1-CD2 4.04Å; F99-F107 HydrophobicContact CD2-CB 3.8Å; F99-F107 AromaticContact CD2-CD2 3.87Å; F99-F107 HydrophobicContact CD2-CD2 3.87Å; F99-F107 HydrophobicContact CD2-CG 4.29Å; F99-F107 AromaticContact CE1-CD2 3.86Å; F99-F107 HydrophobicContact CE1-CD2 3.86Å; F99-F107 HydrophobicContact CE1-CE2 4.26Å; F99-F107 HydrophobicContact CE2-CB 4.21Å; F99-F107 AromaticContact CE2-CD2 3.7Å; F99-F107 HydrophobicContact CE2-CD2 3.7Å; F99-F107 HydrophobicContact CE2-CG 4.3Å; F99-F107 HydrophobicContact CG-CB 4.25Å; F99-F107 HydrophobicContact CG-CD2 4.03Å; F99-F107 AromaticContact CZ-CD2 3.68Å; F99-F107 HydrophobicContact CZ-CD2 3.68Å; F99-F107 HydrophobicContact CZ-CE2 4.14Å; F99-V110 HydrophobicContact CB-CG2 3.8Å; F99-V110 HydrophobicContact CD1-CG2 3.92Å; F99-V110 HydrophobicContact CG-CG2 4.12Å; F99-L130 HydrophobicContact CD1-CD1 3.97Å; F99-L130 HydrophobicContact CD1-CG 4.36Å; F99-L130 HydrophobicContact CE1-CD1 4.07Å; F99-L130 HydrophobicContact CE1-CD2 4.17Å; F99-L130 HydrophobicContact CE1-CG 3.96Å; F99-I131 VanDerWaalsContact CD1-O 3.3Å; F99-I131 WeakPolarHBondContact CD1-O 3.4Å; F99-I131 PolarHBondContact N-O 3Å; F99-N133 PolarHBondContact O-N 3.46Å; F99-V143 HydrophobicContact CD2-CG2 4.36Å; F99-V143 HydrophobicContact CE2-CB 4.1Å; F99-V143 HydrophobicContact CE2-CG1 3.75Å; F99-V143 HydrophobicContact CE2-CG2 4.13Å; F99-V143 HydrophobicContact CZ-CG1 4.31Å; F99-A148 HydrophobicContact CZ-CB 3.85Å; F99-Y159 AromaticContact CE1-CE2 3.8Å; F99-Y159 HydrophobicContact CE1-CE2 3.8Å; F99-Y159 AromaticContact CZ-CE2 3.8Å; F99-Y159 HydrophobicContact CZ-CE2 3.8Å |
| 100 | D | 98.3 | Very high | 94.8 | Very high | 11 Ų | 11 | 33.7 Ų | 33.7 | 6% | 0.059 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 124.2 | 179.2 | -174 | -6.6 | 0 | 0 | 0 | 110.4 | V20 T102 S103 S106 K134 | V20-D100 HydrophobicContact CB-CB 4.25Å; V20-D100 HydrophobicContact CG1-CB 4.13Å; D100-T102 PolarHBondContact O-N 3.44Å; D100-T102 PolarHBondContact OD1-N 3.5Å; D100-T102 PolarHBondContact OD1-OG1 3.33Å; D100-T102 VanDerWaalsContact OD1-OG1 3.09Å; D100-T102 PolarHBondContact OD2-OG1 3.19Å; D100-S103 PolarHBondContact O-N 3.11Å; D100-S106 PolarHBondContact N-OG 3.48Å; D100-S106 PolarHBondContact O-OG 3.31Å; D100-K134 VanDerWaalsContact OD1-CD 3.29Å; D100-K134 WeakPolarHBondContact OD1-CD 3.42Å; D100-K134 WeakPolarHBondContact OD2-CD 3.35Å; D100-K134 WeakPolarHBondContact OD2-CE 3.33Å; D100-K134 IonicContact OD2-NZ 3.98Å; D100-K134 PolarHBondContact OD2-NZ 3.33Å |
| 101 | L | 98.7 | Very high | 95.6 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21 | 177.3 | -73.2 | 166.6 | 0 | 0 | 0 | 112.7 | F99 G132 N133 A135 E142 V143 E161 | F99-L101 HydrophobicContact CE2-CD2 3.94Å; F99-L101 HydrophobicContact CE2-CG 4.46Å; F99-L101 HydrophobicContact CZ-CD2 4.33Å; L101-G132 WeakPolarHBondContact CD1-O 3.43Å; L101-N133 VanDerWaalsContact CB-O 3.32Å; L101-N133 WeakPolarHBondContact CB-O 3.4Å; L101-N133 WeakPolarHBondContact CG-O 3.38Å; L101-N133 PolarHBondContact N-O 2.78Å; L101-A135 HydrophobicContact CD1-CB 3.71Å; L101-E142 PolarHBondContact O-N 3.04Å; L101-V143 HydrophobicContact CD2-CB 4.33Å; L101-V143 PolarHBondContact O-N 3.27Å; L101-V143 VanDerWaalsContact O-N 3.09Å; L101-E161 HydrophobicContact CD1-CB 4.18Å; L101-E161 HydrophobicContact CD1-CG 4.04Å; L101-E161 HydrophobicContact CD2-CG 4.27Å |
| 102 | T | 98.3 | Very high | 96.1 | Very high | 22 Ų | 22 | 31.2 Ų | 31.2 | 14% | 0.135 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 13.2 | 176.1 | 79.9 | 0 | 0 | 0 | 0 | 113.1 | D100 K134 L137 Q140 | D100-T102 PolarHBondContact O-N 3.44Å; D100-T102 PolarHBondContact OD1-N 3.5Å; D100-T102 PolarHBondContact OD1-OG1 3.33Å; D100-T102 VanDerWaalsContact OD1-OG1 3.09Å; D100-T102 PolarHBondContact OD2-OG1 3.19Å; T102-K134 HydrophobicContact CG2-CB 4.47Å; T102-L137 HydrophobicContact CG2-CB 3.69Å; T102-L137 HydrophobicContact CG2-CD1 4.06Å; T102-Q140 VanDerWaalsContact CA-O 3.31Å; T102-Q140 WeakPolarHBondContact CA-O 3.43Å; T102-Q140 VanDerWaalsContact CB-O 3.24Å; T102-Q140 WeakPolarHBondContact CB-O 3.28Å; T102-Q140 HydrophobicContact CG2-CB 3.82Å |
| 103 | S | 98.1 | Very high | 96.2 | Very high | 37 Ų | 37 | 30.7 Ų | 30.7 | 26% | 0.259 | 15% | 0.151 | S | C | . | . | trans | -142.3 | 102.3 | 176.9 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | D100 Q105 S106 F107 E142 | D100-S103 PolarHBondContact O-N 3.11Å; S103-Q105 PolarHBondContact O-N 3.22Å; S103-S106 PolarHBondContact O-N 2.76Å; S103-S106 VanDerWaalsContact O-N 3.13Å; S103-S106 PolarHBondContact O-OG 3.07Å; S103-F107 PolarHBondContact O-N 2.86Å; S103-E142 WeakPolarHBondContact CA-OE2 3.41Å | ||
| 104 | Q | 97.9 | Very high | 96.2 | Very high | 51 Ų | 51 | 28.7 Ų | 28.7 | 24% | 0.238 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.7 | -34.3 | 177.1 | -174.5 | 65.8 | 26.9 | 0 | 0 | 112.2 | S106 F107 L108 E142 | Q104-S106 PolarHBondContact O-N 3.34Å; Q104-F107 WeakPolarHBondContact O-CB 3.43Å; Q104-F107 PolarHBondContact O-N 3.36Å; Q104-L108 WeakPolarHBondContact O-CG 3.24Å; Q104-L108 PolarHBondContact O-N 2.94Å; Q104-E142 HydrophobicContact CB-CB 4.27Å; Q104-E142 PolarHBondContact N-OE2 3.48Å; Q104-E142 PolarHBondContact OE1-O 2.81Å |
| 105 | Q | 97.1 | Very high | 95.9 | Very high | 111 Ų | 111 | 31.9 Ų | 31.9 | 52% | 0.519 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -62.3 | -41.8 | 178 | -174.7 | 58.8 | 54 | 0 | 0 | 112.2 | S103 F107 L108 N109 | S103-Q105 PolarHBondContact O-N 3.22Å; Q105-F107 VanDerWaalsContact C-N 3.26Å; Q105-F107 PolarHBondContact O-N 2.89Å; Q105-L108 PolarHBondContact O-N 2.84Å; Q105-N109 PolarHBondContact NE2-ND2 3.41Å; Q105-N109 PolarHBondContact NE2-OD1 3.02Å; Q105-N109 PolarHBondContact O-N 3.45Å; Q105-N109 PolarHBondContact O-ND2 3.4Å |
| 106 | S | 97.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 34 Ų | 34 | 4% | 0.035 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.8 | -36 | 177.8 | 77.7 | 0 | 0 | 0 | 0 | 111.9 | D100 S103 Q104 N109 V110 | D100-S106 PolarHBondContact N-OG 3.48Å; D100-S106 PolarHBondContact O-OG 3.31Å; S103-S106 PolarHBondContact O-N 2.76Å; S103-S106 VanDerWaalsContact O-N 3.13Å; S103-S106 PolarHBondContact O-OG 3.07Å; Q104-S106 PolarHBondContact O-N 3.34Å; S106-N109 PolarHBondContact O-N 2.9Å; S106-V110 PolarHBondContact O-N 3.02Å |
| 107 | F | 98.4 | Very high | 95 | Very high | 13 Ų | 13 | 34 Ų | 34 | 6% | 0.057 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69 | -43 | 175.3 | 176.8 | -108.9 | 0 | 0 | 0 | 112.2 | F99 S103 Q104 Q105 N109 V110 V143 Q147 A148 L151 | F99-F107 HydrophobicContact CD1-CD2 4.04Å; F99-F107 HydrophobicContact CD2-CB 3.8Å; F99-F107 AromaticContact CD2-CD2 3.87Å; F99-F107 HydrophobicContact CD2-CD2 3.87Å; F99-F107 HydrophobicContact CD2-CG 4.29Å; F99-F107 AromaticContact CE1-CD2 3.86Å; F99-F107 HydrophobicContact CE1-CD2 3.86Å; F99-F107 HydrophobicContact CE1-CE2 4.26Å; F99-F107 HydrophobicContact CE2-CB 4.21Å; F99-F107 AromaticContact CE2-CD2 3.7Å; F99-F107 HydrophobicContact CE2-CD2 3.7Å; F99-F107 HydrophobicContact CE2-CG 4.3Å; F99-F107 HydrophobicContact CG-CB 4.25Å; F99-F107 HydrophobicContact CG-CD2 4.03Å; F99-F107 AromaticContact CZ-CD2 3.68Å; F99-F107 HydrophobicContact CZ-CD2 3.68Å; F99-F107 HydrophobicContact CZ-CE2 4.14Å; S103-F107 PolarHBondContact O-N 2.86Å; Q104-F107 WeakPolarHBondContact O-CB 3.43Å; Q104-F107 PolarHBondContact O-N 3.36Å; Q105-F107 VanDerWaalsContact C-N 3.26Å; Q105-F107 PolarHBondContact O-N 2.89Å; F107-N109 PolarHBondContact O-N 3.26Å; F107-V110 HydrophobicContact CD2-CG2 4.42Å; F107-V110 WeakPolarHBondContact O-CB 3.36Å; F107-V110 VanDerWaalsContact O-CG2 3.26Å; F107-V110 WeakPolarHBondContact O-CG2 3.26Å; F107-V110 PolarHBondContact O-N 2.87Å; F107-V110 VanDerWaalsContact O-N 3.11Å; F107-V143 HydrophobicContact CB-CG1 4.15Å; F107-V143 HydrophobicContact CB-CG2 3.75Å; F107-V143 HydrophobicContact CD1-CG1 4.02Å; F107-V143 HydrophobicContact CD2-CG1 3.97Å; F107-V143 HydrophobicContact CE1-CG1 4.44Å; F107-V143 HydrophobicContact CE2-CG1 4.39Å; F107-V143 HydrophobicContact CG-CG1 3.76Å; F107-V143 HydrophobicContact CG-CG2 4.28Å; F107-Q147 HydrophobicContact CD1-CG 4.41Å; F107-Q147 HydrophobicContact CE1-CG 3.64Å; F107-Q147 HydrophobicContact CZ-CG 3.88Å; F107-A148 HydrophobicContact CE2-CB 3.82Å; F107-A148 HydrophobicContact CZ-CB 4.25Å; F107-L151 HydrophobicContact CD2-CD2 4.4Å; F107-L151 HydrophobicContact CE2-CB 4.36Å; F107-L151 HydrophobicContact CE2-CD2 3.52Å; F107-L151 HydrophobicContact CZ-CB 4.01Å; F107-L151 HydrophobicContact CZ-CD2 3.59Å; F107-L151 HydrophobicContact CZ-CG 4.41Å |
| 108 | L | 96.6 | Very high | 94.4 | Very high | 81 Ų | 81 | 38.9 Ų | 38.9 | 42% | 0.424 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.6 | -36.8 | 175.4 | -68 | 175.5 | 0 | 0 | 0 | 111.9 | Q104 Q105 V110 R111 | Q104-L108 WeakPolarHBondContact O-CG 3.24Å; Q104-L108 PolarHBondContact O-N 2.94Å; Q105-L108 PolarHBondContact O-N 2.84Å; L108-V110 PolarHBondContact O-N 3.35Å; L108-R111 PolarHBondContact O-N 3.45Å |
| 109 | N | 95.5 | Very high | 93.8 | Very high | 33 Ų | 33 | 42.5 Ų | 42.5 | 18% | 0.176 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70 | -14.4 | 178.4 | -74.2 | -20.3 | 0 | 0 | 0 | 113.9 | D17 Q105 S106 F107 R111 N112 W113 | D17-N109 WeakPolarHBondContact OD2-CB 3.19Å; D17-N109 PolarHBondContact OD2-ND2 3.1Å; Q105-N109 PolarHBondContact NE2-ND2 3.41Å; Q105-N109 PolarHBondContact NE2-OD1 3.02Å; Q105-N109 PolarHBondContact O-N 3.45Å; Q105-N109 PolarHBondContact O-ND2 3.4Å; S106-N109 PolarHBondContact O-N 2.9Å; F107-N109 PolarHBondContact O-N 3.26Å; N109-R111 PolarHBondContact O-N 3.2Å; N109-N112 WeakPolarHBondContact O-CB 3.43Å; N109-N112 PolarHBondContact O-N 3.43Å; N109-W113 VanDerWaalsContact O-CD1 3.23Å; N109-W113 PolarHBondContact O-N 3.38Å; N109-W113 VanDerWaalsContact O-N 3.08Å |
| 110 | V | 95.5 | Very high | 93 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -53.5 | -38.8 | 173.9 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | L97 F99 S106 F107 L108 N112 W113 M114 L130 L151 | L97-V110 HydrophobicContact CD2-CG1 3.8Å; L97-V110 HydrophobicContact CG-CG1 4.27Å; F99-V110 HydrophobicContact CB-CG2 3.8Å; F99-V110 HydrophobicContact CD1-CG2 3.92Å; F99-V110 HydrophobicContact CG-CG2 4.12Å; S106-V110 PolarHBondContact O-N 3.02Å; F107-V110 HydrophobicContact CD2-CG2 4.42Å; F107-V110 WeakPolarHBondContact O-CB 3.36Å; F107-V110 VanDerWaalsContact O-CG2 3.26Å; F107-V110 WeakPolarHBondContact O-CG2 3.26Å; F107-V110 PolarHBondContact O-N 2.87Å; F107-V110 VanDerWaalsContact O-N 3.11Å; L108-V110 PolarHBondContact O-N 3.35Å; V110-N112 VanDerWaalsContact C-N 3.32Å; V110-N112 PolarHBondContact O-N 2.95Å; V110-W113 PolarHBondContact O-N 3.25Å; V110-M114 WeakPolarHBondContact O-CB 3.28Å; V110-M114 PolarHBondContact O-N 2.87Å; V110-L130 HydrophobicContact CG1-CD1 3.69Å; V110-L130 HydrophobicContact CG2-CD1 4.29Å; V110-L151 HydrophobicContact CB-CD2 4.28Å; V110-L151 HydrophobicContact CG1-CD2 3.95Å |
| 111 | R | 93.7 | Very high | 92.1 | Very high | 134 Ų | 134 | 45 Ų | 45 | 51% | 0.506 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.8 | -41.2 | 177.9 | -64.2 | -176.7 | 179.6 | 172.8 | 2.7 | 112 | L108 N109 W113 M114 S115 L151 | L108-R111 PolarHBondContact O-N 3.45Å; N109-R111 PolarHBondContact O-N 3.2Å; R111-W113 VanDerWaalsContact C-N 3.35Å; R111-M114 PolarHBondContact O-N 3.39Å; R111-S115 PolarHBondContact O-N 2.89Å; R111-S115 PolarHBondContact O-OG 3.15Å; R111-L151 HydrophobicContact CG-CD1 4.45Å |
| 112 | N | 91.7 | Very high | 90.8 | Very high | 82 Ų | 82 | 54.4 Ų | 54.4 | 44% | 0.439 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.9 | -39.3 | 178.1 | -63.1 | -24.6 | 0 | 0 | 0 | 111.2 | N109 V110 Q116 | N109-N112 WeakPolarHBondContact O-CB 3.43Å; N109-N112 PolarHBondContact O-N 3.43Å; V110-N112 VanDerWaalsContact C-N 3.32Å; V110-N112 PolarHBondContact O-N 2.95Å; N112-Q116 WeakPolarHBondContact O-CG 3.32Å; N112-Q116 PolarHBondContact O-N 2.85Å; N112-Q116 VanDerWaalsContact O-N 3.11Å; N112-Q116 PolarHBondContact O-NE2 3.36Å |
| 113 | W | 91.2 | Very high | 89.4 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.015 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 174 | -74.8 | 112.2 | 0 | 0 | 0 | 112 | L15 G16 D17 L97 N109 V110 R111 S115 Q116 L117 | L15-W113 HydrophobicContact CD2-CZ3 4.41Å; G16-W113 WeakPolarHBondContact O-CZ2 3.34Å; D17-W113 PolarHBondContact OD1-NE1 3.29Å; L97-W113 HydrophobicContact CD1-CB 3.59Å; L97-W113 HydrophobicContact CD1-CG 4.16Å; N109-W113 VanDerWaalsContact O-CD1 3.23Å; N109-W113 PolarHBondContact O-N 3.38Å; N109-W113 VanDerWaalsContact O-N 3.08Å; V110-W113 PolarHBondContact O-N 3.25Å; R111-W113 VanDerWaalsContact C-N 3.35Å; W113-S115 PolarHBondContact O-N 2.92Å; W113-Q116 PolarHBondContact O-N 3.2Å; W113-L117 PolarHBondContact O-N 2.97Å |
| 114 | M | 91 | Very high | 87.8 | Confident | 10 Ų | 10 | 62.9 Ų | 62.9 | 5% | 0.049 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 176.7 | -166.6 | 68.5 | 178.6 | 0 | 0 | 111.8 | L97 V110 R111 Q116 L117 Q118 I128 Y155 | L97-M114 HydrophobicContact CD2-SD 4.27Å; V110-M114 WeakPolarHBondContact O-CB 3.28Å; V110-M114 PolarHBondContact O-N 2.87Å; R111-M114 PolarHBondContact O-N 3.39Å; M114-Q116 VanDerWaalsContact C-N 3.33Å; M114-Q116 PolarHBondContact O-N 3.35Å; M114-L117 WeakPolarHBondContact O-CB 3.49Å; M114-L117 PolarHBondContact O-N 3.47Å; M114-Q118 WeakPolarHBondContact O-CG 3.37Å; M114-Q118 PolarHBondContact O-N 3.12Å; M114-I128 HydrophobicContact CE-CD1 3.6Å; M114-I128 HydrophobicContact SD-CD1 3.61Å; M114-Y155 HydrophobicContact CE-CD1 3.84Å; M114-Y155 HydrophobicContact CE-CE1 4.46Å; M114-Y155 HydrophobicContact CE-CG 4.01Å; M114-Y155 HydrophobicContact CG-CD1 4.02Å; M114-Y155 HydrophobicContact CG-CE1 3.7Å; M114-Y155 HydrophobicContact CG-CE2 4.26Å; M114-Y155 HydrophobicContact CG-CG 4.45Å |
| 115 | S | 89.3 | Confident | 86.5 | Confident | 67 Ų | 67 | 66.7 Ų | 66.7 | 47% | 0.469 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.3 | -38 | 175.7 | -62.5 | 0 | 0 | 0 | 0 | 112.6 | R111 W113 A119 | R111-S115 PolarHBondContact O-N 2.89Å; R111-S115 PolarHBondContact O-OG 3.15Å; W113-S115 PolarHBondContact O-N 2.92Å; S115-A119 WeakPolarHBondContact O-CB 3.38Å; S115-A119 PolarHBondContact O-N 3.22Å |
| 116 | Q | 85.8 | Confident | 85.8 | Confident | 46 Ų | 46 | 62.4 Ų | 62.4 | 22% | 0.215 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 174.5 | -81.1 | 163.6 | 78.4 | 0 | 0 | 112.3 | F89 N112 W113 M114 N120 | F89-Q116 HydrophobicContact CE2-CB 4.18Å; N112-Q116 WeakPolarHBondContact O-CG 3.32Å; N112-Q116 PolarHBondContact O-N 2.85Å; N112-Q116 VanDerWaalsContact O-N 3.11Å; N112-Q116 PolarHBondContact O-NE2 3.36Å; W113-Q116 PolarHBondContact O-N 3.2Å; M114-Q116 VanDerWaalsContact C-N 3.33Å; M114-Q116 PolarHBondContact O-N 3.35Å; Q116-N120 PolarHBondContact O-N 3.44Å; Q116-N120 PolarHBondContact O-ND2 3.21Å |
| 117 | L | 87.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.8 | -52.7 | 174 | -81.4 | 174.5 | 0 | 0 | 0 | 111.2 | L15 F89 F95 W113 M114 A119 N120 A121 I128 | L15-L117 HydrophobicContact CD1-CD1 3.96Å; L15-L117 HydrophobicContact CD1-CD2 3.42Å; L15-L117 VanDerWaalsContact CD1-CD2 3.42Å; L15-L117 HydrophobicContact CD1-CG 3.82Å; F89-L117 HydrophobicContact CD2-CD2 3.96Å; F89-L117 HydrophobicContact CE2-CD2 4Å; F89-L117 HydrophobicContact CE2-CG 4.41Å; F89-L117 HydrophobicContact CG-CD2 4.41Å; F89-L117 HydrophobicContact CZ-CD2 4.44Å; F95-L117 HydrophobicContact CB-CD1 4.24Å; F95-L117 HydrophobicContact CB-CD2 4.46Å; F95-L117 HydrophobicContact CD1-CD2 3.36Å; F95-L117 HydrophobicContact CD2-CD2 3.91Å; F95-L117 HydrophobicContact CE1-CD2 3.34Å; F95-L117 HydrophobicContact CE2-CD2 3.92Å; F95-L117 HydrophobicContact CG-CD1 4.23Å; F95-L117 HydrophobicContact CG-CD2 3.64Å; F95-L117 HydrophobicContact CZ-CD2 3.63Å; W113-L117 PolarHBondContact O-N 2.97Å; M114-L117 WeakPolarHBondContact O-CB 3.49Å; M114-L117 PolarHBondContact O-N 3.47Å; L117-A119 PolarHBondContact O-N 3.39Å; L117-N120 PolarHBondContact O-N 3.08Å; L117-N120 VanDerWaalsContact O-N 3.16Å; L117-A121 WeakPolarHBondContact O-CB 3.47Å; L117-A121 PolarHBondContact O-N 2.95Å; L117-I128 HydrophobicContact CD1-CD1 3.96Å |
| 118 | Q | 85.4 | Confident | 85.6 | Confident | 104 Ų | 104 | 63 Ų | 63 | 49% | 0.486 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60 | -31.9 | -179.7 | -71.1 | 173.3 | -29.3 | 0 | 0 | 112.9 | M114 | M114-Q118 WeakPolarHBondContact O-CG 3.37Å; M114-Q118 PolarHBondContact O-N 3.12Å |
| 119 | A | 84.9 | Confident | 85.7 | Confident | 76 Ų | 76 | 59.1 Ų | 59.1 | 63% | 0.628 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -80.2 | -22.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S115 L117 | S115-A119 WeakPolarHBondContact O-CB 3.38Å; S115-A119 PolarHBondContact O-N 3.22Å; L117-A119 PolarHBondContact O-N 3.39Å |
| 120 | N | 82.2 | Confident | 85.8 | Confident | 45 Ų | 45 | 57.6 Ų | 57.6 | 24% | 0.241 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -129.6 | -9.9 | -168.3 | -58.6 | -75.2 | 0 | 0 | 0 | 114.9 | T86 F89 R90 Q116 L117 | T86-N120 HydrophobicContact CG2-CB 3.61Å; T86-N120 VanDerWaalsContact CG2-OD1 3.27Å; T86-N120 WeakPolarHBondContact CG2-OD1 3.42Å; F89-N120 HydrophobicContact CB-CB 4.3Å; F89-N120 HydrophobicContact CD2-CB 3.88Å; R90-N120 WeakPolarHBondContact CG-O 3.42Å; Q116-N120 PolarHBondContact O-N 3.44Å; Q116-N120 PolarHBondContact O-ND2 3.21Å; L117-N120 PolarHBondContact O-N 3.08Å; L117-N120 VanDerWaalsContact O-N 3.16Å |
| 121 | A | 78.1 | Confident | 86 | Confident | 18 Ų | 18 | 57.5 Ų | 57.5 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -65.2 | 152.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F95 L117 C123 P126 | F95-A121 HydrophobicContact CE2-CB 4.39Å; F95-A121 HydrophobicContact CZ-CB 4.41Å; L117-A121 WeakPolarHBondContact O-CB 3.47Å; L117-A121 PolarHBondContact O-N 2.95Å; A121-C123 VanDerWaalsContact C-N 3.31Å; A121-C123 PolarHBondContact O-N 2.89Å; A121-P126 HydrophobicContact CB-CB 4.24Å; A121-P126 HydrophobicContact CB-CG 3.89Å |
| 122 | Y | 71.6 | Confident | 86.2 | Confident | 203 Ų | 203 | 51.1 Ų | 51.1 | 80% | 0.796 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -66.3 | -32.4 | 179.8 | 175.2 | -98.2 | 0 | 0 | 0 | 113.3 | R90 | R90-Y122 WeakPolarHBondContact O-CB 3.3Š|
| 123 | C | 68.8 | Low | 86.6 | Confident | 58 Ų | 58 | 47.4 Ų | 47.4 | 39% | 0.392 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -108.2 | 146.8 | 179.4 | -175.8 | 0 | 0 | 0 | 0 | 109.9 | A121 N125 P126 | A121-C123 VanDerWaalsContact C-N 3.31Å; A121-C123 PolarHBondContact O-N 2.89Å; C123-N125 PolarHBondContact O-N 3.48Å; C123-N125 PolarHBondContact SG-N 2.87Å; C123-P126 WeakPolarHBondContact O-CD 3.27Å |
| 124 | E | 64.6 | Low | 86.9 | Confident | 179 Ų | 179 | 49.9 Ų | 49.9 | 84% | 0.836 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -56.3 | -31.8 | 172.5 | -68.2 | -176 | 164.7 | 0 | 0 | 111.8 | ||
| 125 | N | 71.1 | Confident | 87.2 | Confident | 130 Ų | 130 | 50.4 Ų | 50.4 | 70% | 0.695 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -129.6 | 83.5 | 178.8 | -71.7 | -8.7 | 0 | 0 | 0 | 111.4 | C123 | C123-N125 PolarHBondContact O-N 3.48Å; C123-N125 PolarHBondContact SG-N 2.87Å |
| 126 | P | 82.7 | Confident | 87.6 | Confident | 21 Ų | 21 | 50.3 Ų | 50.3 | 14% | 0.136 | 26% | 0.263 | C | S | . | . | trans | -69.7 | 152.7 | 171.9 | 30.2 | -33.7 | 0 | 0 | 0 | 111.6 | F95 A121 C123 I128 | F95-P126 HydrophobicContact CD2-CB 3.73Å; F95-P126 HydrophobicContact CD2-CG 4.22Å; F95-P126 HydrophobicContact CE2-CB 3.43Å; F95-P126 VanDerWaalsContact CE2-CB 3.43Å; F95-P126 HydrophobicContact CE2-CG 4.01Å; A121-P126 HydrophobicContact CB-CB 4.24Å; A121-P126 HydrophobicContact CB-CG 3.89Å; C123-P126 WeakPolarHBondContact O-CD 3.27Å; P126-I128 HydrophobicContact CG-CD1 4.03Å; P126-I128 HydrophobicContact CG-CG1 4.24Å; P126-I128 PolarHBondContact O-N 2.78Å | ||
| 127 | D | 94.4 | Very high | 88.1 | Confident | 26 Ų | 26 | 50.9 Ų | 50.9 | 14% | 0.139 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 126.9 | 173.4 | -63.7 | -58.1 | 0 | 0 | 0 | 109.3 | G94 F95 L177 L180 I181 R184 | G94-D127 CarbonylContact C-O 3.59Å; G94-D127 WeakPolarHBondContact CA-O 3.49Å; F95-D127 PolarHBondContact N-O 3.42Å; D127-L177 HydrophobicContact CB-CD1 3.83Å; D127-L180 HydrophobicContact CB-CB 4.12Å; D127-I181 HydrophobicContact CB-CG1 3.95Å; D127-I181 WeakPolarHBondContact OD2-CG1 3.18Å; D127-R184 IonicContact OD1-NH1 3.29Å; D127-R184 IonicContact OD2-CZ 2.64Å; D127-R184 IonicContact OD2-NE 3.59Å; D127-R184 PolarHBondContact OD2-NE 3.2Å; D127-R184 IonicContact OD2-NH1 2.66Å; D127-R184 PolarHBondContact OD2-NH1 3.14Å; D127-R184 IonicContact OD2-NH2 2.87Å; D127-R184 PolarHBondContact OD2-NH2 3.01Å |
| 128 | I | 96.3 | Very high | 88.6 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 139 | -175.7 | -57.3 | 169.9 | 0 | 0 | 0 | 108.3 | F95 L97 M114 L117 P126 I157 P158 | F95-I128 HydrophobicContact CB-CG1 4.22Å; F95-I128 HydrophobicContact CD2-CG1 4.22Å; F95-I128 WeakPolarHBondContact O-CA 3.09Å; L97-I128 HydrophobicContact CB-CG2 3.88Å; L97-I128 HydrophobicContact CD2-CG2 4.41Å; M114-I128 HydrophobicContact CE-CD1 3.6Å; M114-I128 HydrophobicContact SD-CD1 3.61Å; L117-I128 HydrophobicContact CD1-CD1 3.96Å; P126-I128 HydrophobicContact CG-CD1 4.03Å; P126-I128 HydrophobicContact CG-CG1 4.24Å; P126-I128 PolarHBondContact O-N 2.78Å; I128-I157 HydrophobicContact CB-CG2 4.09Å; I128-I157 HydrophobicContact CG2-CD1 4.1Å; I128-P158 WeakPolarHBondContact O-CD 3.47Å |
| 129 | V | 98.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 127.2 | 165.1 | 172 | 0 | 0 | 0 | 0 | 108.4 | F95 L97 I131 P158 F160 A173 T176 L177 L180 | F95-V129 PolarHBondContact O-N 3.45Å; L97-V129 PolarHBondContact N-O 3.4Å; V129-I131 HydrophobicContact CG1-CD1 4.47Å; V129-I131 HydrophobicContact CG1-CG1 4Å; V129-P158 HydrophobicContact CG2-CB 4.3Å; V129-P158 HydrophobicContact CG2-CG 4.25Å; V129-F160 HydrophobicContact CG1-CD2 3.54Å; V129-F160 HydrophobicContact CG1-CE2 3.84Å; V129-A173 HydrophobicContact CG1-CB 4.4Å; V129-T176 HydrophobicContact CG2-CG2 4.41Å; V129-L177 HydrophobicContact CB-CB 4.47Å; V129-L177 HydrophobicContact CG2-CB 3.75Å; V129-L177 HydrophobicContact CG2-CD1 4.16Å; V129-L177 HydrophobicContact CG2-CG 4.48Å; V129-L180 HydrophobicContact CG2-CD1 4.39Å |
| 130 | L | 98.7 | Very high | 89.7 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 131.6 | 173.6 | -174 | 66.9 | 0 | 0 | 0 | 109.9 | L97 F99 V110 A152 I157 P158 Y159 F160 | L97-L130 HydrophobicContact CD2-CD1 4.33Å; L97-L130 HydrophobicContact CG-CD1 4.14Å; L97-L130 CarbonylContact O-C 3.49Å; L97-L130 WeakPolarHBondContact O-CA 3.33Å; F99-L130 HydrophobicContact CD1-CD1 3.97Å; F99-L130 HydrophobicContact CD1-CG 4.36Å; F99-L130 HydrophobicContact CE1-CD1 4.07Å; F99-L130 HydrophobicContact CE1-CD2 4.17Å; F99-L130 HydrophobicContact CE1-CG 3.96Å; V110-L130 HydrophobicContact CG1-CD1 3.69Å; V110-L130 HydrophobicContact CG2-CD1 4.29Å; L130-A152 HydrophobicContact CD2-CB 3.94Å; L130-I157 HydrophobicContact CB-CD1 3.82Å; L130-I157 HydrophobicContact CB-CG1 4.25Å; L130-P158 PolarHBondContact N-O 2.79Å; L130-Y159 HydrophobicContact CB-CD2 4.14Å; L130-Y159 HydrophobicContact CD2-CD2 3.9Å; L130-Y159 HydrophobicContact CD2-CE2 4.45Å; L130-Y159 HydrophobicContact CG-CD2 3.89Å; L130-Y159 HydrophobicContact CG-CE2 4.45Å; L130-Y159 WeakPolarHBondContact O-CA 3.47Å; L130-Y159 WeakPolarHBondContact O-CD2 3.48Å; L130-F160 PolarHBondContact O-N 3.45Å |
| 131 | I | 98.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 118.3 | -175.9 | -61.3 | 176.3 | 0 | 0 | 0 | 110 | F25 L96 L97 M98 F99 V129 F160 T162 A173 | F25-I131 HydrophobicContact CE1-CD1 4.3Å; F25-I131 HydrophobicContact CE2-CD1 4.2Å; F25-I131 HydrophobicContact CE2-CG2 4.33Å; F25-I131 HydrophobicContact CZ-CD1 3.81Å; L96-I131 HydrophobicContact CB-CD1 4.11Å; L96-I131 HydrophobicContact CD2-CD1 3.71Å; L96-I131 HydrophobicContact CG-CD1 4.48Å; L97-I131 PolarHBondContact O-N 2.93Å; M98-I131 CarbonylContact C-O 3.5Å; M98-I131 WeakPolarHBondContact CA-O 3.43Å; M98-I131 HydrophobicContact CE-CG2 3.94Å; M98-I131 HydrophobicContact CG-CB 4.1Å; M98-I131 HydrophobicContact CG-CD1 4.37Å; M98-I131 HydrophobicContact CG-CG2 4.43Å; F99-I131 VanDerWaalsContact CD1-O 3.3Å; F99-I131 WeakPolarHBondContact CD1-O 3.4Å; F99-I131 PolarHBondContact N-O 3Å; V129-I131 HydrophobicContact CG1-CD1 4.47Å; V129-I131 HydrophobicContact CG1-CG1 4Å; I131-F160 WeakPolarHBondContact CA-O 3.36Å; I131-T162 HydrophobicContact CG2-CG2 3.67Å; I131-T162 WeakPolarHBondContact CG2-OG1 3.41Å; I131-A173 HydrophobicContact CD1-CB 3.95Å; I131-A173 HydrophobicContact CG1-CB 4.29Å |
| 132 | G | 98.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 107.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | L101 F160 E161 T162 | L101-G132 WeakPolarHBondContact CD1-O 3.43Å; G132-F160 PolarHBondContact N-O 3.33Å; G132-E161 CarbonylContact O-C 3.58Å; G132-E161 VanDerWaalsContact O-CA 3.3Å; G132-E161 WeakPolarHBondContact O-CA 3.46Å; G132-T162 PolarHBondContact O-N 3.41Å |
| 133 | N | 98.6 | Very high | 92.7 | Very high | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 168.8 | -177.3 | -167.5 | 27.7 | 0 | 0 | 0 | 111.8 | V20 M98 F99 L101 T162 A164 | V20-N133 PolarHBondContact O-ND2 2.73Å; M98-N133 HydrophobicContact CE-CB 3.88Å; F99-N133 PolarHBondContact O-N 3.46Å; L101-N133 VanDerWaalsContact CB-O 3.32Å; L101-N133 WeakPolarHBondContact CB-O 3.4Å; L101-N133 WeakPolarHBondContact CG-O 3.38Å; L101-N133 PolarHBondContact N-O 2.78Å; N133-T162 CarbonylContact C-O 3.48Å; N133-T162 WeakPolarHBondContact CA-O 3.4Å; N133-T162 PolarHBondContact OD1-O 3.2Å; N133-T162 PolarHBondContact OD1-OG1 3.21Å; N133-A164 PolarHBondContact OD1-N 3.44Å |
| 134 | K | 98.1 | Very high | 94 | Very high | 56 Ų | 56 | 58.6 Ų | 58.6 | 24% | 0.243 | 30% | 0.301 | C | S | . | . | trans | 67.3 | 35.3 | -178.4 | -45.3 | -168.3 | -165.9 | 166.4 | 0 | 114.3 | G19 D100 T102 D136 L137 T162 | G19-K134 WeakPolarHBondContact O-CE 3.46Å; G19-K134 PolarHBondContact O-NZ 2.84Å; D100-K134 VanDerWaalsContact OD1-CD 3.29Å; D100-K134 WeakPolarHBondContact OD1-CD 3.42Å; D100-K134 WeakPolarHBondContact OD2-CD 3.35Å; D100-K134 WeakPolarHBondContact OD2-CE 3.33Å; D100-K134 IonicContact OD2-NZ 3.98Å; D100-K134 PolarHBondContact OD2-NZ 3.33Å; T102-K134 HydrophobicContact CG2-CB 4.47Å; K134-D136 WeakPolarHBondContact CA-OD1 3.39Å; K134-D136 PolarHBondContact O-N 3.08Å; K134-D136 VanDerWaalsContact O-N 3.1Å; K134-L137 HydrophobicContact CB-CD1 4.23Å; K134-L137 HydrophobicContact CB-CG 4.49Å; K134-L137 HydrophobicContact CD-CD1 4.22Å; K134-L137 PolarHBondContact O-N 3Å; K134-T162 PolarHBondContact N-O 2.81Å | ||
| 135 | A | 98.2 | Very high | 95.5 | Very high | 21 Ų | 21 | 55.3 Ų | 55.3 | 17% | 0.174 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -18.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L101 L137 E161 T162 | L101-A135 HydrophobicContact CD1-CB 3.71Å; A135-L137 PolarHBondContact O-N 3.24Å; A135-E161 HydrophobicContact CB-CB 4.27Å; A135-T162 WeakPolarHBondContact CB-O 3.36Å; A135-T162 PolarHBondContact N-O 3.47Å |
| 136 | D | 97.9 | Very high | 96.7 | Very high | 65 Ų | 65 | 57.8 Ų | 57.8 | 35% | 0.348 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -18.6 | 173.5 | 56.1 | -70.5 | 0 | 0 | 0 | 113.9 | K134 S138 S163 T166 | K134-D136 WeakPolarHBondContact CA-OD1 3.39Å; K134-D136 PolarHBondContact O-N 3.08Å; K134-D136 VanDerWaalsContact O-N 3.1Å; D136-S138 PolarHBondContact O-N 3.41Å; D136-S163 VanDerWaalsContact OD1-CB 3.23Å; D136-S163 WeakPolarHBondContact OD1-CB 3.4Å; D136-S163 PolarHBondContact OD1-OG 3.23Å; D136-T166 HydrophobicContact CB-CG2 3.92Å |
| 137 | L | 96.6 | Very high | 97.4 | Very high | 58 Ų | 58 | 59.9 Ų | 59.9 | 30% | 0.304 | 29% | 0.293 | S | S | . | . | trans | -96.4 | 54.2 | 179.6 | -58.3 | -179.1 | 0 | 0 | 0 | 111.4 | T102 K134 A135 D139 Q140 R141 | T102-L137 HydrophobicContact CG2-CB 3.69Å; T102-L137 HydrophobicContact CG2-CD1 4.06Å; K134-L137 HydrophobicContact CB-CD1 4.23Å; K134-L137 HydrophobicContact CB-CG 4.49Å; K134-L137 HydrophobicContact CD-CD1 4.22Å; K134-L137 PolarHBondContact O-N 3Å; A135-L137 PolarHBondContact O-N 3.24Å; L137-D139 PolarHBondContact O-N 2.86Å; L137-D139 VanDerWaalsContact O-N 3.15Å; L137-Q140 HydrophobicContact CB-CB 4.39Å; L137-Q140 PolarHBondContact O-N 2.98Å; L137-R141 PolarHBondContact O-N 3.23Å | ||
| 138 | S | 95.8 | Very high | 97.6 | Very high | 81 Ų | 81 | 58.6 Ų | 58.6 | 57% | 0.566 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -55.7 | -34.4 | -175.4 | 55.9 | 0 | 0 | 0 | 0 | 113.8 | D136 Q140 R141 | D136-S138 PolarHBondContact O-N 3.41Å; S138-Q140 VanDerWaalsContact C-N 3.26Å; S138-Q140 PolarHBondContact O-N 2.67Å; S138-R141 WeakPolarHBondContact O-CB 3.23Å; S138-R141 PolarHBondContact O-N 2.8Å |
| 139 | D | 97.2 | Very high | 97.7 | Very high | 161 Ų | 161 | 63.8 Ų | 63.8 | 86% | 0.861 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -74.1 | -18.4 | -178.1 | -58.6 | -24.4 | 0 | 0 | 0 | 113 | L137 | L137-D139 PolarHBondContact O-N 2.86Å; L137-D139 VanDerWaalsContact O-N 3.15Å |
| 140 | Q | 97.4 | Very high | 97.6 | Very high | 119 Ų | 119 | 67.9 Ų | 67.9 | 56% | 0.556 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -104.3 | 10.2 | 177.7 | -61.1 | 177.9 | 38.9 | 0 | 0 | 111.7 | T102 L137 S138 E142 | T102-Q140 VanDerWaalsContact CA-O 3.31Å; T102-Q140 WeakPolarHBondContact CA-O 3.43Å; T102-Q140 VanDerWaalsContact CB-O 3.24Å; T102-Q140 WeakPolarHBondContact CB-O 3.28Å; T102-Q140 HydrophobicContact CG2-CB 3.82Å; L137-Q140 HydrophobicContact CB-CB 4.39Å; L137-Q140 PolarHBondContact O-N 2.98Å; S138-Q140 VanDerWaalsContact C-N 3.26Å; S138-Q140 PolarHBondContact O-N 2.67Å; Q140-E142 PolarHBondContact O-N 2.91Å |
| 141 | R | 98.2 | Very high | 97.6 | Very high | 92 Ų | 92 | 68.3 Ų | 68.3 | 35% | 0.347 | 33% | 0.333 | S | S | . | . | trans | -65.7 | 123.7 | -175.7 | -177 | 178.3 | -175.9 | 154.4 | 17.5 | 110.9 | L137 S138 V143 E161 | L137-R141 PolarHBondContact O-N 3.23Å; S138-R141 WeakPolarHBondContact O-CB 3.23Å; S138-R141 PolarHBondContact O-N 2.8Å; R141-V143 VanDerWaalsContact CZ-O 3.31Å; R141-V143 PolarHBondContact NE-O 2.69Å; R141-V143 PolarHBondContact NH2-O 2.81Å; R141-E161 IonicContact CZ-OE1 3.8Å; R141-E161 IonicContact CZ-OE2 3.2Å; R141-E161 IonicContact NH1-OE1 3.61Å; R141-E161 IonicContact NH1-OE2 3.98Å; R141-E161 IonicContact NH2-OE1 3.77Å; R141-E161 PolarHBondContact NH2-OE1 3.06Å; R141-E161 IonicContact NH2-OE2 2.68Å | ||
| 142 | E | 98.1 | Very high | 97.5 | Very high | 117 Ų | 117 | 68.4 Ų | 68.4 | 55% | 0.547 | 33% | 0.333 | S | S | . | . | trans | -108.4 | -25 | 174.8 | -61.3 | -172.1 | 171.4 | 0 | 0 | 112 | L101 S103 Q104 Q140 | L101-E142 PolarHBondContact O-N 3.04Å; S103-E142 WeakPolarHBondContact CA-OE2 3.41Å; Q104-E142 HydrophobicContact CB-CB 4.27Å; Q104-E142 PolarHBondContact N-OE2 3.48Å; Q104-E142 PolarHBondContact OE1-O 2.81Å; Q140-E142 PolarHBondContact O-N 2.91Å | ||
| 143 | V | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -99.9 | 107.4 | -176 | -172.2 | 0 | 0 | 0 | 0 | 110.9 | F99 L101 F107 R141 Q147 A148 | F99-V143 HydrophobicContact CD2-CG2 4.36Å; F99-V143 HydrophobicContact CE2-CB 4.1Å; F99-V143 HydrophobicContact CE2-CG1 3.75Å; F99-V143 HydrophobicContact CE2-CG2 4.13Å; F99-V143 HydrophobicContact CZ-CG1 4.31Å; L101-V143 HydrophobicContact CD2-CB 4.33Å; L101-V143 PolarHBondContact O-N 3.27Å; L101-V143 VanDerWaalsContact O-N 3.09Å; F107-V143 HydrophobicContact CB-CG1 4.15Å; F107-V143 HydrophobicContact CB-CG2 3.75Å; F107-V143 HydrophobicContact CD1-CG1 4.02Å; F107-V143 HydrophobicContact CD2-CG1 3.97Å; F107-V143 HydrophobicContact CE1-CG1 4.44Å; F107-V143 HydrophobicContact CE2-CG1 4.39Å; F107-V143 HydrophobicContact CG-CG1 3.76Å; F107-V143 HydrophobicContact CG-CG2 4.28Å; R141-V143 VanDerWaalsContact CZ-O 3.31Å; R141-V143 PolarHBondContact NE-O 2.69Å; R141-V143 PolarHBondContact NH2-O 2.81Å; V143-Q147 HydrophobicContact CG1-CG 4.08Å; V143-A148 HydrophobicContact CG1-CB 4.32Å |
| 144 | N | 96.1 | Very high | 97.4 | Very high | 97 Ų | 97 | 80.7 Ų | 80.7 | 52% | 0.519 | 39% | 0.391 | S | S | . | . | trans | -54 | 140.1 | 170.4 | -170.9 | -76.2 | 0 | 0 | 0 | 113.1 | R146 Q147 A148 | N144-R146 PolarHBondContact O-N 2.59Å; N144-R146 VanDerWaalsContact OD1-CB 3.25Å; N144-R146 WeakPolarHBondContact OD1-CB 3.33Å; N144-R146 PolarHBondContact OD1-N 2.87Å; N144-Q147 HydrophobicContact CB-CG 4.29Å; N144-Q147 VanDerWaalsContact O-CG 3.32Å; N144-Q147 WeakPolarHBondContact O-CG 3.3Å; N144-Q147 PolarHBondContact O-N 3.24Å; N144-A148 PolarHBondContact O-N 3.44Å | ||
| 145 | E | 96.1 | Very high | 97.2 | Very high | 109 Ų | 109 | 81 Ų | 81 | 51% | 0.509 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | -177.5 | -175.7 | 178.8 | 166.7 | 0 | 0 | 112 | Q147 A148 K149 E161 | E145-Q147 VanDerWaalsContact C-N 3.34Å; E145-Q147 PolarHBondContact O-N 2.89Å; E145-A148 PolarHBondContact O-N 2.96Å; E145-K149 WeakPolarHBondContact O-CB 3.5Å; E145-K149 PolarHBondContact O-N 3.37Å; E145-E161 WeakPolarHBondContact CG-OE1 3.31Å |
| 146 | R | 97.1 | Very high | 97.1 | Very high | 183 Ų | 183 | 83.2 Ų | 83.2 | 69% | 0.691 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.9 | -42.7 | -177.4 | -173.6 | 178.8 | 178 | 172.9 | 2.3 | 111.3 | N144 A148 K149 D150 | N144-R146 PolarHBondContact O-N 2.59Å; N144-R146 VanDerWaalsContact OD1-CB 3.25Å; N144-R146 WeakPolarHBondContact OD1-CB 3.33Å; N144-R146 PolarHBondContact OD1-N 2.87Å; R146-A148 VanDerWaalsContact C-N 3.29Å; R146-A148 PolarHBondContact O-N 2.88Å; R146-K149 PolarHBondContact O-N 3.3Å; R146-D150 WeakPolarHBondContact O-CB 3.49Å; R146-D150 PolarHBondContact O-N 3.05Å |
| 147 | Q | 96.8 | Very high | 97.1 | Very high | 64 Ų | 64 | 81 Ų | 81 | 30% | 0.299 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.7 | -36.5 | 179.9 | 89.9 | -174.2 | -60.9 | 0 | 0 | 111.7 | F107 V143 N144 E145 L151 | F107-Q147 HydrophobicContact CD1-CG 4.41Å; F107-Q147 HydrophobicContact CE1-CG 3.64Å; F107-Q147 HydrophobicContact CZ-CG 3.88Å; V143-Q147 HydrophobicContact CG1-CG 4.08Å; N144-Q147 HydrophobicContact CB-CG 4.29Å; N144-Q147 VanDerWaalsContact O-CG 3.32Å; N144-Q147 WeakPolarHBondContact O-CG 3.3Å; N144-Q147 PolarHBondContact O-N 3.24Å; E145-Q147 VanDerWaalsContact C-N 3.34Å; E145-Q147 PolarHBondContact O-N 2.89Å; Q147-L151 PolarHBondContact O-N 3.49Å; Q147-L151 VanDerWaalsContact O-N 3.15Å |
| 148 | A | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -72.3 | -40.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F99 F107 V143 N144 E145 R146 L151 A152 Y159 | F99-A148 HydrophobicContact CZ-CB 3.85Å; F107-A148 HydrophobicContact CE2-CB 3.82Å; F107-A148 HydrophobicContact CZ-CB 4.25Å; V143-A148 HydrophobicContact CG1-CB 4.32Å; N144-A148 PolarHBondContact O-N 3.44Å; E145-A148 PolarHBondContact O-N 2.96Å; R146-A148 VanDerWaalsContact C-N 3.29Å; R146-A148 PolarHBondContact O-N 2.88Å; A148-L151 PolarHBondContact O-N 3.2Å; A148-A152 PolarHBondContact O-N 3.46Å; A148-Y159 HydrophobicContact CB-CE1 3.8Å; A148-Y159 HydrophobicContact CB-CE2 3.99Å; A148-Y159 VanDerWaalsContact CB-CZ 3.47Å; A148-Y159 WeakPolarHBondContact CB-OH 3.42Å |
| 149 | K | 98.2 | Very high | 97.3 | Very high | 112 Ų | 112 | 78.2 Ų | 78.2 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.3 | -47 | 173.5 | -171.5 | 176.2 | -179.6 | 179.7 | 0 | 112.2 | E145 R146 L151 A152 D153 Y159 | E145-K149 WeakPolarHBondContact O-CB 3.5Å; E145-K149 PolarHBondContact O-N 3.37Å; R146-K149 PolarHBondContact O-N 3.3Å; K149-L151 PolarHBondContact O-N 3.41Å; K149-A152 WeakPolarHBondContact O-CB 3.37Å; K149-A152 PolarHBondContact O-N 2.92Å; K149-D153 PolarHBondContact O-N 3.22Å; K149-Y159 HydrophobicContact CB-CD1 4.36Å |
| 150 | D | 98.3 | Very high | 97.4 | Very high | 87 Ų | 87 | 71.7 Ų | 71.7 | 47% | 0.465 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.3 | -36.6 | 177.2 | -68.5 | -15.7 | 0 | 0 | 0 | 111.3 | R146 K154 | R146-D150 WeakPolarHBondContact O-CB 3.49Å; R146-D150 PolarHBondContact O-N 3.05Å; D150-K154 WeakPolarHBondContact O-CB 3.38Å; D150-K154 PolarHBondContact O-N 3.45Å |
| 151 | L | 97.4 | Very high | 97.5 | Very high | 10 Ų | 10 | 67.5 Ų | 67.5 | 5% | 0.052 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67 | -43.3 | 174.2 | -174 | 67.6 | 0 | 0 | 0 | 111.9 | F107 V110 R111 Q147 A148 K149 K154 Y155 | F107-L151 HydrophobicContact CD2-CD2 4.4Å; F107-L151 HydrophobicContact CE2-CB 4.36Å; F107-L151 HydrophobicContact CE2-CD2 3.52Å; F107-L151 HydrophobicContact CZ-CB 4.01Å; F107-L151 HydrophobicContact CZ-CD2 3.59Å; F107-L151 HydrophobicContact CZ-CG 4.41Å; V110-L151 HydrophobicContact CB-CD2 4.28Å; V110-L151 HydrophobicContact CG1-CD2 3.95Å; R111-L151 HydrophobicContact CG-CD1 4.45Å; Q147-L151 PolarHBondContact O-N 3.49Å; Q147-L151 VanDerWaalsContact O-N 3.15Å; A148-L151 PolarHBondContact O-N 3.2Å; K149-L151 PolarHBondContact O-N 3.41Å; L151-K154 WeakPolarHBondContact O-CB 3.14Å; L151-K154 PolarHBondContact O-N 2.88Å; L151-Y155 HydrophobicContact CD1-CD2 4.15Å; L151-Y155 HydrophobicContact CD1-CE2 3.5Å; L151-Y155 HydrophobicContact CD2-CE2 4.43Å; L151-Y155 HydrophobicContact CG-CD2 4.07Å; L151-Y155 HydrophobicContact CG-CE2 3.78Å; L151-Y155 WeakPolarHBondContact O-CD2 3.35Å; L151-Y155 PolarHBondContact O-N 2.9Å |
| 152 | A | 97.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.008 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.2 | -45 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L130 A148 K149 K154 Y155 G156 I157 Y159 | L130-A152 HydrophobicContact CD2-CB 3.94Å; A148-A152 PolarHBondContact O-N 3.46Å; K149-A152 WeakPolarHBondContact O-CB 3.37Å; K149-A152 PolarHBondContact O-N 2.92Å; A152-K154 VanDerWaalsContact C-N 3.3Å; A152-K154 PolarHBondContact O-N 3.02Å; A152-Y155 CarbonylContact O-C 3.56Å; A152-Y155 PolarHBondContact O-N 2.67Å; A152-Y155 VanDerWaalsContact O-N 3.08Å; A152-G156 PolarHBondContact O-N 3.26Å; A152-I157 HydrophobicContact CB-CG1 4.17Å; A152-I157 WeakPolarHBondContact CB-O 2.86Å; A152-I157 PolarHBondContact O-N 3.38Å; A152-Y159 HydrophobicContact CB-CG 4.41Å |
| 153 | D | 97.6 | Very high | 97.5 | Very high | 104 Ų | 104 | 57.6 Ų | 57.6 | 56% | 0.556 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -61.1 | -39.9 | 176.5 | -70 | -17.6 | 0 | 0 | 0 | 111 | K149 Y155 G156 | K149-D153 PolarHBondContact O-N 3.22Å; D153-Y155 VanDerWaalsContact C-N 3.27Å; D153-Y155 PolarHBondContact O-N 2.98Å; D153-G156 PolarHBondContact O-N 3.48Å |
| 154 | K | 96.4 | Very high | 97.4 | Very high | 158 Ų | 158 | 57.8 Ų | 57.8 | 69% | 0.687 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -60.4 | -35.1 | 174.8 | -179.4 | 176.2 | 179.4 | 176.8 | 0 | 113 | D150 L151 A152 | D150-K154 WeakPolarHBondContact O-CB 3.38Å; D150-K154 PolarHBondContact O-N 3.45Å; L151-K154 WeakPolarHBondContact O-CB 3.14Å; L151-K154 PolarHBondContact O-N 2.88Å; A152-K154 VanDerWaalsContact C-N 3.3Å; A152-K154 PolarHBondContact O-N 3.02Å |
| 155 | Y | 94.7 | Very high | 97.4 | Very high | 61 Ų | 61 | 54.4 Ų | 54.4 | 24% | 0.239 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -89.3 | -7.6 | 176.1 | -68.7 | -58.3 | 0 | 0 | 0 | 113.3 | M114 L151 A152 D153 I157 | M114-Y155 HydrophobicContact CE-CD1 3.84Å; M114-Y155 HydrophobicContact CE-CE1 4.46Å; M114-Y155 HydrophobicContact CE-CG 4.01Å; M114-Y155 HydrophobicContact CG-CD1 4.02Å; M114-Y155 HydrophobicContact CG-CE1 3.7Å; M114-Y155 HydrophobicContact CG-CE2 4.26Å; M114-Y155 HydrophobicContact CG-CG 4.45Å; L151-Y155 HydrophobicContact CD1-CD2 4.15Å; L151-Y155 HydrophobicContact CD1-CE2 3.5Å; L151-Y155 HydrophobicContact CD2-CE2 4.43Å; L151-Y155 HydrophobicContact CG-CD2 4.07Å; L151-Y155 HydrophobicContact CG-CE2 3.78Å; L151-Y155 WeakPolarHBondContact O-CD2 3.35Å; L151-Y155 PolarHBondContact O-N 2.9Å; A152-Y155 CarbonylContact O-C 3.56Å; A152-Y155 PolarHBondContact O-N 2.67Å; A152-Y155 VanDerWaalsContact O-N 3.08Å; D153-Y155 VanDerWaalsContact C-N 3.27Å; D153-Y155 PolarHBondContact O-N 2.98Å; Y155-I157 VanDerWaalsContact C-N 3.33Å; Y155-I157 HydrophobicContact CD2-CD1 4.48Å |
| 156 | G | 96 | Very high | 97.5 | Very high | 68 Ų | 68 | 53.5 Ų | 53.5 | 70% | 0.701 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 32 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A152 D153 | A152-G156 PolarHBondContact O-N 3.26Å; D153-G156 PolarHBondContact O-N 3.48Å |
| 157 | I | 97.3 | Very high | 97.5 | Very high | 20 Ų | 20 | 45.9 Ų | 45.9 | 10% | 0.103 | 25% | 0.253 | C | S | . | . | trans | -115.2 | 147.7 | -176.2 | 63.8 | -177.6 | 0 | 0 | 0 | 111.4 | I128 L130 A152 Y155 | I128-I157 HydrophobicContact CB-CG2 4.09Å; I128-I157 HydrophobicContact CG2-CD1 4.1Å; L130-I157 HydrophobicContact CB-CD1 3.82Å; L130-I157 HydrophobicContact CB-CG1 4.25Å; A152-I157 HydrophobicContact CB-CG1 4.17Å; A152-I157 WeakPolarHBondContact CB-O 2.86Å; A152-I157 PolarHBondContact O-N 3.38Å; Y155-I157 VanDerWaalsContact C-N 3.33Å; Y155-I157 HydrophobicContact CD2-CD1 4.48Å | ||
| 158 | P | 98.4 | Very high | 97.6 | Very high | 39 Ų | 39 | 46.8 Ų | 46.8 | 25% | 0.253 | 26% | 0.257 | S | S | . | . | trans | -63.4 | 148.3 | 173.3 | -20.8 | 33.1 | 0 | 0 | 0 | 112.2 | I128 V129 L130 F160 T176 L180 | I128-P158 WeakPolarHBondContact O-CD 3.47Å; V129-P158 HydrophobicContact CG2-CB 4.3Å; V129-P158 HydrophobicContact CG2-CG 4.25Å; L130-P158 PolarHBondContact N-O 2.79Å; P158-F160 HydrophobicContact CB-CE2 3.96Å; P158-T176 HydrophobicContact CB-CG2 4.14Å; P158-T176 HydrophobicContact CG-CG2 4.02Å; P158-L180 HydrophobicContact CG-CD1 3.98Å | ||
| 159 | Y | 98.7 | Very high | 97.6 | Very high | 40 Ų | 40 | 49.3 Ų | 49.3 | 16% | 0.157 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134.9 | 175.6 | 173.9 | -123.9 | 0 | 0 | 0 | 111.8 | F99 L130 A148 K149 A152 E161 | F99-Y159 AromaticContact CE1-CE2 3.8Å; F99-Y159 HydrophobicContact CE1-CE2 3.8Å; F99-Y159 AromaticContact CZ-CE2 3.8Å; F99-Y159 HydrophobicContact CZ-CE2 3.8Å; L130-Y159 HydrophobicContact CB-CD2 4.14Å; L130-Y159 HydrophobicContact CD2-CD2 3.9Å; L130-Y159 HydrophobicContact CD2-CE2 4.45Å; L130-Y159 HydrophobicContact CG-CD2 3.89Å; L130-Y159 HydrophobicContact CG-CE2 4.45Å; L130-Y159 WeakPolarHBondContact O-CA 3.47Å; L130-Y159 WeakPolarHBondContact O-CD2 3.48Å; A148-Y159 HydrophobicContact CB-CE1 3.8Å; A148-Y159 HydrophobicContact CB-CE2 3.99Å; A148-Y159 VanDerWaalsContact CB-CZ 3.47Å; A148-Y159 WeakPolarHBondContact CB-OH 3.42Å; K149-Y159 HydrophobicContact CB-CD1 4.36Å; A152-Y159 HydrophobicContact CB-CG 4.41Å; Y159-E161 HydrophobicContact CE1-CG 4.01Å; Y159-E161 WeakPolarHBondContact OH-CG 3.36Å; Y159-E161 PolarHBondContact OH-OE1 2.69Å |
| 160 | F | 98.8 | Very high | 97.6 | Very high | 25 Ų | 25 | 44.1 Ų | 44.1 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 132.6 | 172.6 | -61.7 | -83 | 0 | 0 | 0 | 111.5 | V129 L130 I131 G132 P158 T162 K172 A173 T176 | V129-F160 HydrophobicContact CG1-CD2 3.54Å; V129-F160 HydrophobicContact CG1-CE2 3.84Å; L130-F160 PolarHBondContact O-N 3.45Å; I131-F160 WeakPolarHBondContact CA-O 3.36Å; G132-F160 PolarHBondContact N-O 3.33Å; P158-F160 HydrophobicContact CB-CE2 3.96Å; F160-T162 HydrophobicContact CB-CG2 3.94Å; F160-K172 HydrophobicContact CD1-CD 4.17Å; F160-K172 HydrophobicContact CD1-CG 4.39Å; F160-K172 HydrophobicContact CE1-CD 3.7Å; F160-K172 HydrophobicContact CE1-CG 3.79Å; F160-K172 HydrophobicContact CZ-CG 4.31Å; F160-A173 HydrophobicContact CB-CB 4.22Å; F160-A173 HydrophobicContact CD2-CB 3.83Å; F160-A173 HydrophobicContact CE2-CB 4.46Å; F160-A173 HydrophobicContact CG-CB 4.08Å; F160-T176 HydrophobicContact CE2-CG2 3.95Å; F160-T176 HydrophobicContact CZ-CG2 4.03Å; F160-T176 VanDerWaalsContact CZ-OG1 3.28Å; F160-T176 WeakPolarHBondContact CZ-OG1 3.45Å |
| 161 | E | 98.8 | Very high | 97.5 | Very high | 31 Ų | 31 | 45.3 Ų | 45.3 | 15% | 0.145 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 124.4 | 159.1 | -68.1 | -170.3 | -175.6 | 0 | 0 | 109.3 | L101 G132 A135 R141 E145 Y159 N169 | L101-E161 HydrophobicContact CD1-CB 4.18Å; L101-E161 HydrophobicContact CD1-CG 4.04Å; L101-E161 HydrophobicContact CD2-CG 4.27Å; G132-E161 CarbonylContact O-C 3.58Å; G132-E161 VanDerWaalsContact O-CA 3.3Å; G132-E161 WeakPolarHBondContact O-CA 3.46Å; A135-E161 HydrophobicContact CB-CB 4.27Å; R141-E161 IonicContact CZ-OE1 3.8Å; R141-E161 IonicContact CZ-OE2 3.2Å; R141-E161 IonicContact NH1-OE1 3.61Å; R141-E161 IonicContact NH1-OE2 3.98Å; R141-E161 IonicContact NH2-OE1 3.77Å; R141-E161 PolarHBondContact NH2-OE1 3.06Å; R141-E161 IonicContact NH2-OE2 2.68Å; E145-E161 WeakPolarHBondContact CG-OE1 3.31Å; Y159-E161 HydrophobicContact CE1-CG 4.01Å; Y159-E161 WeakPolarHBondContact OH-CG 3.36Å; Y159-E161 PolarHBondContact OH-OE1 2.69Å; E161-N169 WeakPolarHBondContact O-CB 3.5Å; E161-N169 PolarHBondContact O-ND2 2.84Å |
| 162 | T | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -128.1 | 159.2 | -172.6 | 66.5 | 0 | 0 | 0 | 0 | 111.1 | F25 I131 G132 N133 K134 A135 F160 Q168 N169 A173 | F25-T162 HydrophobicContact CE2-CG2 4.02Å; I131-T162 HydrophobicContact CG2-CG2 3.67Å; I131-T162 WeakPolarHBondContact CG2-OG1 3.41Å; G132-T162 PolarHBondContact O-N 3.41Å; N133-T162 CarbonylContact C-O 3.48Å; N133-T162 WeakPolarHBondContact CA-O 3.4Å; N133-T162 PolarHBondContact OD1-O 3.2Å; N133-T162 PolarHBondContact OD1-OG1 3.21Å; K134-T162 PolarHBondContact N-O 2.81Å; A135-T162 WeakPolarHBondContact CB-O 3.36Å; A135-T162 PolarHBondContact N-O 3.47Å; F160-T162 HydrophobicContact CB-CG2 3.94Å; T162-Q168 WeakPolarHBondContact CA-O 3.46Å; T162-Q168 WeakPolarHBondContact CB-O 3.49Å; T162-N169 HydrophobicContact CG2-CB 3.87Å; T162-A173 HydrophobicContact CG2-CB 4.3Å | ||
| 163 | S | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -135.2 | 115.2 | 167.7 | 170.5 | 0 | 0 | 0 | 0 | 109.6 | D136 A165 T166 G167 Q168 | D136-S163 VanDerWaalsContact OD1-CB 3.23Å; D136-S163 WeakPolarHBondContact OD1-CB 3.4Å; D136-S163 PolarHBondContact OD1-OG 3.23Å; S163-A165 PolarHBondContact O-N 2.94Å; S163-A165 PolarHBondContact OG-N 2.91Å; S163-T166 VanDerWaalsContact CB-OG1 3.24Å; S163-T166 WeakPolarHBondContact CB-OG1 3.41Å; S163-T166 PolarHBondContact OG-N 3.5Å; S163-T166 PolarHBondContact OG-OG1 3.11Å; S163-G167 CarbonylContact O-C 3.59Å; S163-G167 VanDerWaalsContact O-CA 3.24Å; S163-G167 WeakPolarHBondContact O-CA 3.23Å; S163-G167 PolarHBondContact O-N 2.89Å; S163-Q168 PolarHBondContact N-O 3.18Å; S163-Q168 PolarHBondContact O-N 2.68Å | ||
| 164 | A | 96.9 | Very high | 97.6 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 3% | 0.033 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -25.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T24 F25 R28 N133 | T24-A164 HydrophobicContact CG2-CB 3.95Å; F25-A164 HydrophobicContact CB-CB 4.37Å; R28-A164 HydrophobicContact CB-CB 4.43Å; R28-A164 PolarHBondContact NE-O 3.48Å; N133-A164 PolarHBondContact OD1-N 3.44Å |
| 165 | A | 96.2 | Very high | 97.6 | Very high | 27 Ų | 27 | 41.8 Ų | 41.8 | 22% | 0.223 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -51.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | R28 F34 S163 | R28-A165 PolarHBondContact NH2-O 3.23Å; F34-A165 HydrophobicContact CD2-CB 4.14Å; F34-A165 HydrophobicContact CE1-CB 4.33Å; F34-A165 HydrophobicContact CE2-CB 3.86Å; F34-A165 HydrophobicContact CG-CB 4.49Å; F34-A165 HydrophobicContact CZ-CB 3.97Å; S163-A165 PolarHBondContact O-N 2.94Å; S163-A165 PolarHBondContact OG-N 2.91Å |
| 166 | T | 96.9 | Very high | 97.8 | Very high | 89 Ų | 89 | 40.5 Ų | 40.5 | 55% | 0.546 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -18.9 | -176.6 | 68.3 | 0 | 0 | 0 | 0 | 113.7 | D136 S163 Q168 | D136-T166 HydrophobicContact CB-CG2 3.92Å; S163-T166 VanDerWaalsContact CB-OG1 3.24Å; S163-T166 WeakPolarHBondContact CB-OG1 3.41Å; S163-T166 PolarHBondContact OG-N 3.5Å; S163-T166 PolarHBondContact OG-OG1 3.11Å; T166-Q168 VanDerWaalsContact C-N 3.33Å; T166-Q168 WeakPolarHBondContact OG1-CB 3.44Å; T166-Q168 PolarHBondContact OG1-N 2.73Å |
| 167 | G | 97.1 | Very high | 97.8 | Very high | 24 Ų | 24 | 37.3 Ų | 37.3 | 25% | 0.247 | 20% | 0.199 | C | C | . | . | trans | 86.8 | -0.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114 | S163 N169 V170 | S163-G167 CarbonylContact O-C 3.59Å; S163-G167 VanDerWaalsContact O-CA 3.24Å; S163-G167 WeakPolarHBondContact O-CA 3.23Å; S163-G167 PolarHBondContact O-N 2.89Å; G167-N169 PolarHBondContact O-N 2.84Å; G167-V170 PolarHBondContact O-N 3.06Å | ||
| 168 | Q | 98.3 | Very high | 97.8 | Very high | 82 Ų | 82 | 36.5 Ų | 36.5 | 38% | 0.383 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 123.9 | 179.9 | 175.9 | -178.3 | -16.7 | 0 | 0 | 111.3 | T162 S163 T166 V170 | T162-Q168 WeakPolarHBondContact CA-O 3.46Å; T162-Q168 WeakPolarHBondContact CB-O 3.49Å; S163-Q168 PolarHBondContact N-O 3.18Å; S163-Q168 PolarHBondContact O-N 2.68Å; T166-Q168 VanDerWaalsContact C-N 3.33Å; T166-Q168 WeakPolarHBondContact OG1-CB 3.44Å; T166-Q168 PolarHBondContact OG1-N 2.73Å; Q168-V170 PolarHBondContact O-N 2.77Å |
| 169 | N | 98.3 | Very high | 97.6 | Very high | 54 Ų | 54 | 37 Ų | 37 | 29% | 0.289 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 7.7 | 175.9 | -66.1 | -37.7 | 0 | 0 | 0 | 116.3 | E161 T162 G167 K172 A173 | E161-N169 WeakPolarHBondContact O-CB 3.5Å; E161-N169 PolarHBondContact O-ND2 2.84Å; T162-N169 HydrophobicContact CG2-CB 3.87Å; G167-N169 PolarHBondContact O-N 2.84Å; N169-K172 PolarHBondContact O-N 2.86Å; N169-A173 WeakPolarHBondContact O-CB 3.27Å; N169-A173 PolarHBondContact O-N 2.81Å |
| 170 | V | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.2 | -51.7 | -178.5 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | F25 R28 Y29 G167 Q168 V174 | F25-V170 HydrophobicContact CD2-CB 4.49Å; F25-V170 HydrophobicContact CD2-CG1 4.13Å; F25-V170 HydrophobicContact CD2-CG2 3.92Å; F25-V170 HydrophobicContact CE1-CG1 4.19Å; F25-V170 HydrophobicContact CE2-CB 3.99Å; F25-V170 HydrophobicContact CE2-CG1 3.8Å; F25-V170 HydrophobicContact CE2-CG2 3.75Å; F25-V170 HydrophobicContact CG-CG1 4.47Å; F25-V170 HydrophobicContact CZ-CB 4.32Å; F25-V170 HydrophobicContact CZ-CG1 3.82Å; R28-V170 HydrophobicContact CB-CG1 4.47Å; R28-V170 HydrophobicContact CG-CB 4.25Å; R28-V170 HydrophobicContact CG-CG1 4.03Å; R28-V170 HydrophobicContact CG-CG2 3.95Å; Y29-V170 HydrophobicContact CD2-CG1 4.45Å; G167-V170 PolarHBondContact O-N 3.06Å; Q168-V170 PolarHBondContact O-N 2.77Å; V170-V174 PolarHBondContact O-N 3.04Å |
| 171 | E | 97.3 | Very high | 97.2 | Very high | 113 Ų | 113 | 36.3 Ų | 36.3 | 53% | 0.528 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63 | -47.2 | 176.4 | -65.2 | -173 | 160.7 | 0 | 0 | 111 | Y29 A173 V174 D175 | Y29-E171 HydrophobicContact CD2-CG 4.22Å; Y29-E171 HydrophobicContact CE2-CG 4.4Å; E171-A173 VanDerWaalsContact C-N 3.29Å; E171-A173 PolarHBondContact O-N 2.84Å; E171-V174 PolarHBondContact O-N 2.98Å; E171-V174 VanDerWaalsContact O-N 3.11Å; E171-D175 WeakPolarHBondContact O-CB 3.43Å; E171-D175 VanDerWaalsContact O-CG 3.29Å; E171-D175 PolarHBondContact O-N 2.77Å |
| 172 | K | 98.1 | Very high | 96.9 | Very high | 120 Ų | 120 | 34.9 Ų | 34.9 | 52% | 0.522 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -55.7 | -41.5 | -179.6 | -168 | -179.5 | -175.1 | -173.7 | 0 | 113 | F160 N169 T176 | F160-K172 HydrophobicContact CD1-CD 4.17Å; F160-K172 HydrophobicContact CD1-CG 4.39Å; F160-K172 HydrophobicContact CE1-CD 3.7Å; F160-K172 HydrophobicContact CE1-CG 3.79Å; F160-K172 HydrophobicContact CZ-CG 4.31Å; N169-K172 PolarHBondContact O-N 2.86Å; K172-T176 VanDerWaalsContact O-CB 3.31Å; K172-T176 WeakPolarHBondContact O-CB 3.48Å; K172-T176 PolarHBondContact O-N 2.79Å; K172-T176 PolarHBondContact O-OG1 3.18Å |
| 173 | A | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67 | -43.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F25 V129 I131 F160 T162 N169 E171 L177 | F25-A173 HydrophobicContact CZ-CB 4.28Å; V129-A173 HydrophobicContact CG1-CB 4.4Å; I131-A173 HydrophobicContact CD1-CB 3.95Å; I131-A173 HydrophobicContact CG1-CB 4.29Å; F160-A173 HydrophobicContact CB-CB 4.22Å; F160-A173 HydrophobicContact CD2-CB 3.83Å; F160-A173 HydrophobicContact CE2-CB 4.46Å; F160-A173 HydrophobicContact CG-CB 4.08Å; T162-A173 HydrophobicContact CG2-CB 4.3Å; N169-A173 WeakPolarHBondContact O-CB 3.27Å; N169-A173 PolarHBondContact O-N 2.81Å; E171-A173 VanDerWaalsContact C-N 3.29Å; E171-A173 PolarHBondContact O-N 2.84Å; A173-L177 PolarHBondContact O-N 2.8Å; A173-L177 VanDerWaalsContact O-N 3.15Å |
| 174 | V | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.5 | -42.4 | 178.5 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | L12 F25 Y29 L96 V170 E171 T176 L177 L178 | L12-V174 HydrophobicContact CD1-CG1 4.02Å; F25-V174 HydrophobicContact CE1-CG2 3.76Å; F25-V174 HydrophobicContact CZ-CG2 4.06Å; Y29-V174 HydrophobicContact CD1-CG1 4.32Å; Y29-V174 HydrophobicContact CD1-CG2 4.34Å; Y29-V174 HydrophobicContact CD2-CB 4.07Å; Y29-V174 HydrophobicContact CD2-CG1 4.4Å; Y29-V174 HydrophobicContact CD2-CG2 3.93Å; Y29-V174 HydrophobicContact CE1-CB 4.4Å; Y29-V174 HydrophobicContact CE1-CG1 3.71Å; Y29-V174 HydrophobicContact CE2-CB 3.75Å; Y29-V174 HydrophobicContact CE2-CG1 3.83Å; Y29-V174 HydrophobicContact CE2-CG2 4.13Å; Y29-V174 HydrophobicContact CG-CG2 4.04Å; Y29-V174 VanDerWaalsContact CZ-CG1 3.43Å; L96-V174 HydrophobicContact CD1-CG2 4.32Å; L96-V174 HydrophobicContact CD2-CG2 4.33Å; V170-V174 PolarHBondContact O-N 3.04Å; E171-V174 PolarHBondContact O-N 2.98Å; E171-V174 VanDerWaalsContact O-N 3.11Å; V174-T176 VanDerWaalsContact C-N 3.31Å; V174-T176 PolarHBondContact O-N 3.45Å; V174-L177 PolarHBondContact O-N 3.09Å; V174-L178 PolarHBondContact O-N 3.11Å |
| 175 | D | 96.6 | Very high | 95.5 | Very high | 79 Ų | 79 | 44.5 Ų | 44.5 | 42% | 0.422 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.3 | -37.1 | 177.8 | -70.3 | -16 | 0 | 0 | 0 | 111.6 | E171 L178 D179 | E171-D175 WeakPolarHBondContact O-CB 3.43Å; E171-D175 VanDerWaalsContact O-CG 3.29Å; E171-D175 PolarHBondContact O-N 2.77Å; D175-L178 PolarHBondContact O-N 3.13Å; D175-D179 WeakPolarHBondContact O-CB 3.49Å; D175-D179 PolarHBondContact O-N 2.99Å |
| 176 | T | 97.8 | Very high | 94.9 | Very high | 34 Ų | 34 | 46.3 Ų | 46.3 | 21% | 0.209 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.6 | -43.3 | 174.8 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | V129 P158 F160 K172 V174 L178 D179 L180 | V129-T176 HydrophobicContact CG2-CG2 4.41Å; P158-T176 HydrophobicContact CB-CG2 4.14Å; P158-T176 HydrophobicContact CG-CG2 4.02Å; F160-T176 HydrophobicContact CE2-CG2 3.95Å; F160-T176 HydrophobicContact CZ-CG2 4.03Å; F160-T176 VanDerWaalsContact CZ-OG1 3.28Å; F160-T176 WeakPolarHBondContact CZ-OG1 3.45Å; K172-T176 VanDerWaalsContact O-CB 3.31Å; K172-T176 WeakPolarHBondContact O-CB 3.48Å; K172-T176 PolarHBondContact O-N 2.79Å; K172-T176 PolarHBondContact O-OG1 3.18Å; V174-T176 VanDerWaalsContact C-N 3.31Å; V174-T176 PolarHBondContact O-N 3.45Å; T176-L178 VanDerWaalsContact C-N 3.33Å; T176-D179 PolarHBondContact O-N 3.42Å; T176-L180 WeakPolarHBondContact O-CG 3.35Å; T176-L180 PolarHBondContact O-N 3.27Å; T176-L180 VanDerWaalsContact O-N 3.08Å |
| 177 | L | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.8 | -41.4 | 175.7 | -178.6 | 57.9 | 0 | 0 | 0 | 111.4 | L12 L96 D127 V129 A173 V174 L180 I181 | L12-L177 HydrophobicContact CD1-CD2 4.23Å; L12-L177 HydrophobicContact CD2-CD2 3.93Å; L12-L177 HydrophobicContact CD2-CG 4.15Å; L12-L177 HydrophobicContact CG-CD2 4.49Å; L96-L177 HydrophobicContact CD2-CB 4.45Å; L96-L177 HydrophobicContact CD2-CD2 3.58Å; L96-L177 HydrophobicContact CG-CD2 3.75Å; D127-L177 HydrophobicContact CB-CD1 3.83Å; V129-L177 HydrophobicContact CB-CB 4.47Å; V129-L177 HydrophobicContact CG2-CB 3.75Å; V129-L177 HydrophobicContact CG2-CD1 4.16Å; V129-L177 HydrophobicContact CG2-CG 4.48Å; A173-L177 PolarHBondContact O-N 2.8Å; A173-L177 VanDerWaalsContact O-N 3.15Å; V174-L177 PolarHBondContact O-N 3.09Å; L177-L180 PolarHBondContact O-N 3.29Å; L177-I181 HydrophobicContact CD1-CD1 4.22Å; L177-I181 HydrophobicContact CG-CD1 4.06Å; L177-I181 WeakPolarHBondContact O-CG1 3.4Å; L177-I181 PolarHBondContact O-N 3.36Å; L177-I181 VanDerWaalsContact O-N 3.12Å |
| 178 | L | 96.2 | Very high | 93.3 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.7 | -45.6 | 176.2 | 178.8 | 58.7 | 0 | 0 | 0 | 111.5 | I10 V51 Y53 V68 L70 V174 D175 T176 L180 I181 M182 | I10-L178 HydrophobicContact CG1-CD1 4.18Å; I10-L178 HydrophobicContact CG2-CD1 4.29Å; V51-L178 HydrophobicContact CG2-CD2 3.92Å; Y53-L178 HydrophobicContact CD2-CD2 4.29Å; Y53-L178 HydrophobicContact CD2-CG 4.23Å; V68-L178 HydrophobicContact CG1-CD1 4.14Å; L70-L178 HydrophobicContact CD2-CD1 4.15Å; L70-L178 HydrophobicContact CD2-CD2 4.5Å; V174-L178 PolarHBondContact O-N 3.11Å; D175-L178 PolarHBondContact O-N 3.13Å; T176-L178 VanDerWaalsContact C-N 3.33Å; L178-L180 VanDerWaalsContact C-N 3.35Å; L178-L180 PolarHBondContact O-N 3.28Å; L178-I181 PolarHBondContact O-N 3.48Å; L178-M182 HydrophobicContact CD1-CG 3.82Å; L178-M182 HydrophobicContact CD1-SD 4.32Å; L178-M182 HydrophobicContact CG-CG 4.18Å; L178-M182 WeakPolarHBondContact O-CB 3.4Å; L178-M182 VanDerWaalsContact O-CG 3.23Å; L178-M182 WeakPolarHBondContact O-CG 3.49Å; L178-M182 PolarHBondContact O-N 2.82Å |
| 179 | D | 94.9 | Very high | 92.1 | Very high | 48 Ų | 48 | 49.9 Ų | 49.9 | 26% | 0.257 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59 | -42.5 | 176.8 | 176.7 | 70.6 | 0 | 0 | 0 | 112.3 | Y53 D175 T176 M182 K183 | Y53-D179 HydrophobicContact CE2-CB 4.3Å; Y53-D179 PolarHBondContact OH-OD1 3.4Å; D175-D179 WeakPolarHBondContact O-CB 3.49Å; D175-D179 PolarHBondContact O-N 2.99Å; T176-D179 PolarHBondContact O-N 3.42Å; D179-M182 PolarHBondContact O-N 3.34Å; D179-K183 WeakPolarHBondContact O-CB 3.13Å; D179-K183 VanDerWaalsContact O-CG 3.28Å; D179-K183 WeakPolarHBondContact O-CG 3.39Å; D179-K183 PolarHBondContact O-N 3.3Å; D179-K183 WeakPolarHBondContact OD1-CE 3.16Å; D179-K183 IonicContact OD1-NZ 3.37Å; D179-K183 PolarHBondContact OD1-NZ 3.19Å; D179-K183 WeakPolarHBondContact OD2-CE 3.35Å; D179-K183 IonicContact OD2-NZ 3.82Å; D179-K183 PolarHBondContact OD2-NZ 3.36Å |
| 180 | L | 94.7 | Very high | 90.4 | Very high | 51 Ų | 51 | 52.1 Ų | 52.1 | 27% | 0.267 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.1 | -48.5 | 174.6 | -70.7 | 174.4 | 0 | 0 | 0 | 112 | D127 V129 P158 T176 L177 L178 K183 R184 | D127-L180 HydrophobicContact CB-CB 4.12Å; V129-L180 HydrophobicContact CG2-CD1 4.39Å; P158-L180 HydrophobicContact CG-CD1 3.98Å; T176-L180 WeakPolarHBondContact O-CG 3.35Å; T176-L180 PolarHBondContact O-N 3.27Å; T176-L180 VanDerWaalsContact O-N 3.08Å; L177-L180 PolarHBondContact O-N 3.29Å; L178-L180 VanDerWaalsContact C-N 3.35Å; L178-L180 PolarHBondContact O-N 3.28Å; L180-K183 PolarHBondContact O-N 3.42Å; L180-R184 PolarHBondContact O-N 3.39Å |
| 181 | I | 93.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.5 | -46 | -179.4 | -65.5 | 163.9 | 0 | 0 | 0 | 110.8 | I10 L12 M93 D127 L177 L178 K183 R184 M185 | I10-I181 HydrophobicContact CD1-CG2 4.02Å; I10-I181 HydrophobicContact CG2-CD1 4.07Å; I10-I181 HydrophobicContact CG2-CG2 4.35Å; L12-I181 HydrophobicContact CD2-CD1 3.27Å; M93-I181 HydrophobicContact CB-CD1 4.26Å; M93-I181 HydrophobicContact CB-CG2 4.19Å; M93-I181 HydrophobicContact CE-CG2 4.03Å; D127-I181 HydrophobicContact CB-CG1 3.95Å; D127-I181 WeakPolarHBondContact OD2-CG1 3.18Å; L177-I181 HydrophobicContact CD1-CD1 4.22Å; L177-I181 HydrophobicContact CG-CD1 4.06Å; L177-I181 WeakPolarHBondContact O-CG1 3.4Å; L177-I181 PolarHBondContact O-N 3.36Å; L177-I181 VanDerWaalsContact O-N 3.12Å; L178-I181 PolarHBondContact O-N 3.48Å; I181-K183 PolarHBondContact O-N 2.82Å; I181-R184 WeakPolarHBondContact O-CB 3.39Å; I181-R184 PolarHBondContact O-N 3.22Å; I181-M185 HydrophobicContact CG2-CG 4.44Å; I181-M185 HydrophobicContact CG2-SD 4.09Å; I181-M185 WeakPolarHBondContact O-CG 3.44Å; I181-M185 PolarHBondContact O-N 3.16Å |
| 182 | M | 92.1 | Very high | 86.7 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.1 | -43.8 | -179.6 | -69.9 | -60.6 | -69.7 | 0 | 0 | 111.1 | Y8 I10 Y53 F66 L178 D179 R184 M185 E186 | Y8-M182 HydrophobicContact CD2-CE 3.64Å; Y8-M182 HydrophobicContact CD2-SD 4.37Å; Y8-M182 HydrophobicContact CE2-CE 3.68Å; Y8-M182 HydrophobicContact CG-CE 4.34Å; I10-M182 HydrophobicContact CD1-SD 4.41Å; Y53-M182 HydrophobicContact CD1-CB 4.23Å; Y53-M182 HydrophobicContact CD1-CE 3.57Å; Y53-M182 HydrophobicContact CD1-CG 3.93Å; Y53-M182 HydrophobicContact CD2-CG 4.14Å; Y53-M182 HydrophobicContact CE1-CB 3.67Å; Y53-M182 HydrophobicContact CE1-CE 3.95Å; Y53-M182 HydrophobicContact CE1-CG 3.88Å; Y53-M182 HydrophobicContact CE2-CB 4.13Å; Y53-M182 HydrophobicContact CE2-CG 4.11Å; Y53-M182 HydrophobicContact CG-CE 4.25Å; Y53-M182 HydrophobicContact CG-CG 4.04Å; F66-M182 HydrophobicContact CD2-CE 4.35Å; L178-M182 HydrophobicContact CD1-CG 3.82Å; L178-M182 HydrophobicContact CD1-SD 4.32Å; L178-M182 HydrophobicContact CG-CG 4.18Å; L178-M182 WeakPolarHBondContact O-CB 3.4Å; L178-M182 VanDerWaalsContact O-CG 3.23Å; L178-M182 WeakPolarHBondContact O-CG 3.49Å; L178-M182 PolarHBondContact O-N 2.82Å; D179-M182 PolarHBondContact O-N 3.34Å; M182-R184 PolarHBondContact O-N 3.12Å; M182-M185 PolarHBondContact O-N 3.34Å; M182-E186 WeakPolarHBondContact O-CG 3.46Å; M182-E186 PolarHBondContact O-N 3.39Å |
| 183 | K | 90.3 | Very high | 84.4 | Confident | 91 Ų | 91 | 58.7 Ų | 58.7 | 40% | 0.396 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 174.2 | -76.3 | 171.1 | 176.5 | 165.4 | 0 | 112.5 | D179 L180 I181 M185 E186 Q187 | D179-K183 WeakPolarHBondContact O-CB 3.13Å; D179-K183 VanDerWaalsContact O-CG 3.28Å; D179-K183 WeakPolarHBondContact O-CG 3.39Å; D179-K183 PolarHBondContact O-N 3.3Å; D179-K183 WeakPolarHBondContact OD1-CE 3.16Å; D179-K183 IonicContact OD1-NZ 3.37Å; D179-K183 PolarHBondContact OD1-NZ 3.19Å; D179-K183 WeakPolarHBondContact OD2-CE 3.35Å; D179-K183 IonicContact OD2-NZ 3.82Å; D179-K183 PolarHBondContact OD2-NZ 3.36Å; L180-K183 PolarHBondContact O-N 3.42Å; I181-K183 PolarHBondContact O-N 2.82Å; K183-M185 VanDerWaalsContact C-N 3.32Å; K183-M185 PolarHBondContact O-N 3.39Å; K183-E186 PolarHBondContact O-N 3.38Å; K183-Q187 VanDerWaalsContact O-CG 3.3Å; K183-Q187 WeakPolarHBondContact O-CG 3.43Å; K183-Q187 PolarHBondContact O-N 3.29Å |
| 184 | R | 89 | Confident | 82.2 | Confident | 62 Ų | 62 | 63.6 Ų | 63.6 | 23% | 0.234 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62 | -42 | 175.1 | -174.1 | -179.3 | 69 | -153.9 | -11.4 | 111.2 | M93 D127 L180 I181 M182 Q187 C188 | M93-R184 PolarHBondContact O-NH2 3.23Å; D127-R184 IonicContact OD1-NH1 3.29Å; D127-R184 IonicContact OD2-CZ 2.64Å; D127-R184 IonicContact OD2-NE 3.59Å; D127-R184 PolarHBondContact OD2-NE 3.2Å; D127-R184 IonicContact OD2-NH1 2.66Å; D127-R184 PolarHBondContact OD2-NH1 3.14Å; D127-R184 IonicContact OD2-NH2 2.87Å; D127-R184 PolarHBondContact OD2-NH2 3.01Å; L180-R184 PolarHBondContact O-N 3.39Å; I181-R184 WeakPolarHBondContact O-CB 3.39Å; I181-R184 PolarHBondContact O-N 3.22Å; M182-R184 PolarHBondContact O-N 3.12Å; R184-Q187 PolarHBondContact O-N 3.22Å; R184-C188 PolarHBondContact O-N 3.23Å; R184-C188 PolarHBondContact O-SG 2.84Å; R184-C188 VanDerWaalsContact O-SG 3.33Å |
| 185 | M | 86.6 | Confident | 79.8 | Confident | 52 Ų | 52 | 67 Ų | 67 | 26% | 0.256 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 177.2 | -70.5 | 179.2 | 75.4 | 0 | 0 | 112.1 | Y8 I10 M93 I181 M182 K183 Q187 C188 V189 | Y8-M185 HydrophobicContact CD1-CE 3.73Å; Y8-M185 HydrophobicContact CE1-CE 3.93Å; I10-M185 HydrophobicContact CD1-CE 4.45Å; I10-M185 HydrophobicContact CD1-SD 3.61Å; M93-M185 HydrophobicContact CE-CE 4.08Å; M93-M185 HydrophobicContact CE-CG 4.29Å; M93-M185 HydrophobicContact CE-SD 3.49Å; M93-M185 WeakPolarHBondContact CE-SD 3.3Å; I181-M185 HydrophobicContact CG2-CG 4.44Å; I181-M185 HydrophobicContact CG2-SD 4.09Å; I181-M185 WeakPolarHBondContact O-CG 3.44Å; I181-M185 PolarHBondContact O-N 3.16Å; M182-M185 PolarHBondContact O-N 3.34Å; K183-M185 VanDerWaalsContact C-N 3.32Å; K183-M185 PolarHBondContact O-N 3.39Å; M185-Q187 PolarHBondContact O-N 2.97Å; M185-C188 PolarHBondContact O-N 3.23Å; M185-V189 WeakPolarHBondContact O-CG2 3.42Å; M185-V189 PolarHBondContact O-N 3.07Å; M185-V189 VanDerWaalsContact O-N 3.13Å |
| 186 | E | 83.5 | Confident | 77.4 | Confident | 65 Ų | 65 | 70 Ų | 70 | 30% | 0.304 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.3 | -47.9 | 175.1 | -72.2 | 173.3 | 174.4 | 0 | 0 | 111.1 | S55 M182 K183 C188 V189 D190 | S55-E186 PolarHBondContact OG-OE1 3.09Å; M182-E186 WeakPolarHBondContact O-CG 3.46Å; M182-E186 PolarHBondContact O-N 3.39Å; K183-E186 PolarHBondContact O-N 3.38Å; E186-C188 VanDerWaalsContact C-N 3.33Å; E186-C188 PolarHBondContact O-N 3.46Å; E186-V189 PolarHBondContact O-N 2.82Å; E186-D190 PolarHBondContact O-N 3.16Å; E186-D190 VanDerWaalsContact O-N 3.11Å |
| 187 | Q | 81.8 | Confident | 74.9 | Confident | 118 Ų | 118 | 74.1 Ų | 74.1 | 55% | 0.551 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -64.2 | -33.7 | 178.8 | -70.2 | 172.6 | 10.7 | 0 | 0 | 113.9 | K183 R184 M185 K191 | K183-Q187 VanDerWaalsContact O-CG 3.3Å; K183-Q187 WeakPolarHBondContact O-CG 3.43Å; K183-Q187 PolarHBondContact O-N 3.29Å; R184-Q187 PolarHBondContact O-N 3.22Å; M185-Q187 PolarHBondContact O-N 2.97Å; Q187-K191 WeakPolarHBondContact O-CG 3.24Å; Q187-K191 PolarHBondContact O-N 2.86Å |
| 188 | C | 77.6 | Confident | 72.3 | Confident | 75 Ų | 75 | 78 Ų | 78 | 51% | 0.507 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -69.5 | -36.5 | 176 | -74.5 | 0 | 0 | 0 | 0 | 111.6 | R184 M185 E186 T192 | R184-C188 PolarHBondContact O-N 3.23Å; R184-C188 PolarHBondContact O-SG 2.84Å; R184-C188 VanDerWaalsContact O-SG 3.33Å; M185-C188 PolarHBondContact O-N 3.23Å; E186-C188 VanDerWaalsContact C-N 3.33Å; E186-C188 PolarHBondContact O-N 3.46Å; C188-T192 PolarHBondContact O-OG1 3.25Å |
| 189 | V | 72.6 | Confident | 69.8 | Low | 77 Ų | 77 | 85.7 Ų | 85.7 | 47% | 0.467 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.2 | -43 | 177.9 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | M185 E186 K191 T192 Q193 | M185-V189 WeakPolarHBondContact O-CG2 3.42Å; M185-V189 PolarHBondContact O-N 3.07Å; M185-V189 VanDerWaalsContact O-N 3.13Å; E186-V189 PolarHBondContact O-N 2.82Å; V189-K191 VanDerWaalsContact C-N 3.33Å; V189-K191 PolarHBondContact O-N 3.3Å; V189-T192 PolarHBondContact O-N 2.84Å; V189-T192 PolarHBondContact O-OG1 3.08Å; V189-Q193 PolarHBondContact O-N 3.37Å |
| 190 | D | 63.9 | Low | 67.3 | Low | 102 Ų | 102 | 87.2 Ų | 87.2 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -38.9 | 179.6 | -75.8 | -17.4 | 0 | 0 | 0 | 112.1 | E186 T192 Q193 V194 | E186-D190 PolarHBondContact O-N 3.16Å; E186-D190 VanDerWaalsContact O-N 3.11Å; D190-T192 VanDerWaalsContact C-N 3.32Å; D190-T192 PolarHBondContact O-N 3.06Å; D190-Q193 PolarHBondContact O-N 2.87Å; D190-V194 WeakPolarHBondContact O-CG2 3.27Å; D190-V194 PolarHBondContact O-N 3.18Å |
| 191 | K | 61.1 | Low | 64.3 | Low | 156 Ų | 156 | 88.6 Ų | 88.6 | 68% | 0.678 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.3 | -36.2 | 178.2 | -76.8 | 177.1 | -178 | 176.1 | 0 | 112.9 | Q187 V189 S195 | Q187-K191 WeakPolarHBondContact O-CG 3.24Å; Q187-K191 PolarHBondContact O-N 2.86Å; V189-K191 VanDerWaalsContact C-N 3.33Å; V189-K191 PolarHBondContact O-N 3.3Å; K191-S195 PolarHBondContact O-N 3.1Å; K191-S195 PolarHBondContact O-OG 3.39Å |
| 192 | T | 56.3 | Low | 61.5 | Low | 86 Ų | 86 | 94.3 Ų | 94.3 | 53% | 0.528 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -73.3 | -31.3 | 178.4 | -11.3 | 0 | 0 | 0 | 0 | 112.4 | C188 V189 D190 S195 | C188-T192 PolarHBondContact O-OG1 3.25Å; V189-T192 PolarHBondContact O-N 2.84Å; V189-T192 PolarHBondContact O-OG1 3.08Å; D190-T192 VanDerWaalsContact C-N 3.32Å; D190-T192 PolarHBondContact O-N 3.06Å; T192-S195 PolarHBondContact O-OG 3.49Å |
| 193 | Q | 50.8 | Low | 59.2 | Low | 130 Ų | 130 | 100.5 Ų | 100.5 | 61% | 0.607 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -75.3 | -30.9 | 177.9 | -67.8 | -169.7 | 11.6 | 0 | 0 | 112.9 | V189 D190 T197 | V189-Q193 PolarHBondContact O-N 3.37Å; D190-Q193 PolarHBondContact O-N 2.87Å; Q193-T197 PolarHBondContact O-OG1 3.47Å |
| 194 | V | 51.9 | Low | 56.4 | Low | 103 Ų | 103 | 99.6 Ų | 99.6 | 62% | 0.624 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -75.3 | -27.7 | 176.8 | -179.9 | 0 | 0 | 0 | 0 | 111.9 | D190 D196 | D190-V194 WeakPolarHBondContact O-CG2 3.27Å; D190-V194 PolarHBondContact O-N 3.18Å; V194-D196 PolarHBondContact O-N 3.14Å |
| 195 | S | 47.3 | Very low | 53.8 | Low | 72 Ų | 72 | 106.5 Ų | 106.5 | 50% | 0.503 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -70.7 | -26.2 | 176.7 | 48 | 0 | 0 | 0 | 0 | 114.3 | K191 T192 | K191-S195 PolarHBondContact O-N 3.1Å; K191-S195 PolarHBondContact O-OG 3.39Å; T192-S195 PolarHBondContact O-OG 3.49Å |
| 196 | D | 45.7 | Very low | 51.3 | Low | 142 Ų | 142 | 111.5 Ų | 111.5 | 76% | 0.759 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -12.6 | -179.6 | -78.6 | -21.9 | 0 | 0 | 0 | 113.7 | V194 | V194-D196 PolarHBondContact O-N 3.14Š|
| 197 | T | 44.8 | Very low | 48.9 | Very low | 121 Ų | 121 | 116 Ų | 116 | 74% | 0.742 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -4.3 | 179 | 3.5 | 0 | 0 | 0 | 0 | 114.2 | Q193 | Q193-T197 PolarHBondContact O-OG1 3.47Š|
| 198 | A | 44.3 | Very low | 46.7 | Very low | 80 Ų | 80 | 115.9 Ų | 115.9 | 66% | 0.661 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -97.2 | 1.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 199 | N | 42.6 | Very low | 44.7 | Very low | 166 Ų | 166 | 117.2 Ų | 117.2 | 89% | 0.888 | 73% | 0.733 | S | S | * | * | trans | -118.7 | 58.6 | 178.2 | -110.7 | 2.3 | 0 | 0 | 0 | 112.3 | ||||
| 200 | G | 42.5 | Very low | 43.3 | Very low | 80 Ų | 80 | 123.1 Ų | 123.1 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | trans | -128.4 | 78.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 201 | G | 32.9 | Very low | 41.9 | Very low | 80 Ų | 80 | 124.3 Ų | 124.3 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | 141.5 | 93.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 202 | S | 34.3 | Very low | 40.8 | Very low | 121 Ų | 121 | 126.1 Ų | 126.1 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | -169.1 | 114.4 | 126.2 | -177.7 | 0 | 0 | 0 | 0 | 110 | |||||
| 203 | S | 42.4 | Very low | 40 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | -63.2 | 127.3 | 169.2 | -154.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 204 | G | 32 | Very low | 39.4 | Very low | 72 Ų | 72 | 134.2 Ų | 134.2 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | -156.9 | 110.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 205 | K | 33.8 | Very low | 38.9 | Very low | 207 Ų | 207 | 138.6 Ų | 138.6 | 90% | 0.9 | 82% | 0.816 | S | S | * | * | trans | -40.9 | 150 | -174.5 | -81.1 | 166.7 | 166.6 | 176.7 | 0 | 117.6 | ||||
| 206 | L | 35.3 | Very low | 38.4 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 82% | 0.822 | 83% | 0.834 | S | S | * | * | trans | -28.1 | 138.9 | 157.7 | -88.1 | 69.3 | 0 | 0 | 0 | 114.8 | ||||
| 207 | D | 33.6 | Very low | 38 | Very low | 161 Ų | 161 | 138.9 Ų | 138.9 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | -153.9 | 137.8 | 116.4 | -106.5 | -25.9 | 0 | 0 | 0 | 112.5 | |||||
| 208 | S | 35.3 | Very low | 38 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 80% | 0.804 | 86% | 0.863 | S | S | * | * | trans | -82.3 | 129 | -177.2 | 46.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 209 | A | 35 | Very low | 37.7 | Very low | 102 Ų | 102 | 146 Ų | 146 | 84% | 0.843 | 87% | 0.873 | S | S | * | * | trans | -126.6 | 127.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 210 | K | 42.3 | Very low | 37.4 | Very low | 201 Ų | 201 | 144.9 Ų | 144.9 | 87% | 0.874 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 155.5 | -179.4 | -73 | 175.8 | 175.6 | 177 | 0 | 112 | ||
| 211 | P | 34.5 | Very low | 37.2 | Very low | 127 Ų | 127 | 148.5 Ų | 148.5 | 83% | 0.825 | 88% | 0.875 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 128.4 | 171.8 | 31.1 | -26.9 | 0 | 0 | 0 | 111 | ||
| 212 | E | 38.9 | Very low | 37.4 | Very low | 195 Ų | 195 | 152.5 Ų | 152.5 | 91% | 0.911 | 88% | 0.878 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 130.9 | 169.9 | -81.5 | -170.7 | 157.5 | 0 | 0 | 111.5 | ||
| 213 | E | 38.9 | Very low | 37.6 | Very low | 174 Ų | 174 | 154.5 Ų | 154.5 | 81% | 0.813 | 88% | 0.88 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 128.8 | 177.2 | -64.4 | 175.8 | 145.8 | 0 | 0 | 111.8 | K215 | E213-K215 PolarHBondContact O-N 3.49Š|
| 214 | K | 39.8 | Very low | 37.3 | Very low | 212 Ų | 212 | 156.1 Ų | 156.1 | 92% | 0.922 | 88% | 0.877 | S | S | * | * | trans | -86.3 | 107.3 | 164 | -76.1 | -173.8 | 177.2 | -179.2 | 0 | 109.8 | ||||
| 215 | K | 40.1 | Very low | 37.7 | Very low | 194 Ų | 194 | 162.1 Ų | 162.1 | 84% | 0.843 | 89% | 0.887 | S | S | * | * | trans | -83.9 | 143.2 | 162.7 | -91.7 | 180 | 175.6 | 173 | 0 | 110.8 | E213 | E213-K215 PolarHBondContact O-N 3.49Š| ||
| 216 | C | 36.8 | Very low | 38 | Very low | 132 Ų | 132 | 158.6 Ų | 158.6 | 89% | 0.892 | 89% | 0.886 | S | S | * | * | trans | -84.9 | 176.9 | 177.7 | -155.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 217 | A | 38.7 | Very low | 38.2 | Very low | 89 Ų | 89 | 158.8 Ų | 158.8 | 74% | 0.736 | 89% | 0.891 | S | S | * | * | trans | 94.5 | 131.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 218 | C | 44.2 | Very low | 38.6 | Very low | 203 Ų | 203 | 158.5 Ų | 158.5 | 100% | 1.372 | 89% | 0.894 | S | S | * | * | cis | -138.2 | 0 | 25.3 | -58.9 | 0 | 0 | 0 | 0 | 112.7 |
Retrieved 218 of 218 residues in 62.5 ms
(Link to these results)