| 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 | 41 | Very low | 76.1 | Confident | 237 Ų | 237 | 70.7 Ų | 70.7 | 100% | 1.167 | 35% | 0.354 | S | S | * | . | 0 | 122.3 | 0 | -73 | 179.6 | -79.5 | 0 | 0 | 107.1 | Q3 | M1-Q3 PolarHBondContact O-N 3.38Š| |||
| 2 | I | 49.3 | Very low | 77.9 | Confident | 91 Ų | 91 | 64.8 Ų | 64.8 | 47% | 0.467 | 33% | 0.325 | S | S | . | . | trans | -69.9 | 120.2 | 165.2 | -58 | 174.4 | 0 | 0 | 0 | 103.6 | L96 T128 | I2-L96 HydrophobicContact CD1-CD2 3.4Å; I2-L96 HydrophobicContact CD1-CG 3.97Å; I2-T128 HydrophobicContact CD1-CG2 4.31Å | ||
| 3 | Q | 51.3 | Low | 79.5 | Confident | 160 Ų | 160 | 60 Ų | 60 | 75% | 0.748 | 30% | 0.301 | S | S | * | . | trans | -48.4 | 143.8 | 172.1 | -78 | 176.3 | -43 | 0 | 0 | 108.7 | M1 S5 | M1-Q3 PolarHBondContact O-N 3.38Å; Q3-S5 PolarHBondContact O-N 3.27Å | ||
| 4 | E | 59.3 | Low | 80.7 | Confident | 190 Ų | 190 | 56.1 Ų | 56.1 | 89% | 0.888 | 28% | 0.283 | S | S | * | . | trans | -45.7 | 109.9 | 178.2 | -73.5 | -170.3 | 166.5 | 0 | 0 | 109.8 | ||||
| 5 | S | 69.2 | Low | 81.6 | Confident | 18 Ų | 18 | 56.1 Ų | 56.1 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | trans | -78.9 | 130.9 | -175.7 | 179.1 | 0 | 0 | 0 | 0 | 108.5 | Q3 S7 K133 | Q3-S5 PolarHBondContact O-N 3.27Å; S5-S7 PolarHBondContact O-N 3.41Å; S5-S7 WeakPolarHBondContact OG-CB 3.5Å; S5-S7 PolarHBondContact OG-N 2.82Å; S5-S7 PolarHBondContact OG-OG 3.33Å; S5-K133 PolarHBondContact O-NZ 3.34Å | ||
| 6 | T | 82.8 | Confident | 82.3 | Confident | 81 Ų | 81 | 55.8 Ų | 55.8 | 50% | 0.497 | 28% | 0.275 | S | S | . | . | trans | -77.9 | -6 | 169.8 | 53.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 7 | S | 93.5 | Very high | 83 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -65.5 | 140.4 | -180 | -48.9 | 0 | 0 | 0 | 0 | 111.7 | S5 P108 D109 | S5-S7 PolarHBondContact O-N 3.41Å; S5-S7 WeakPolarHBondContact OG-CB 3.5Å; S5-S7 PolarHBondContact OG-N 2.82Å; S5-S7 PolarHBondContact OG-OG 3.33Å; S7-P108 VanDerWaalsContact CB-O 3.31Å; S7-P108 WeakPolarHBondContact CB-O 3.42Å; S7-P108 PolarHBondContact OG-O 2.98Å; S7-D109 WeakPolarHBondContact CA-O 3.45Å |
| 8 | V | 96.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 131.2 | 163.2 | 172.7 | 0 | 0 | 0 | 0 | 108.2 | V10 D109 I110 I111 I196 L199 R200 | V8-V10 HydrophobicContact CG1-CG2 4.21Å; V8-D109 PolarHBondContact N-O 3.25Å; V8-D109 VanDerWaalsContact N-O 3.08Å; V8-I110 HydrophobicContact CB-CG1 4.48Å; V8-I110 CarbonylContact O-C 3.48Å; V8-I110 VanDerWaalsContact O-CA 3.31Å; V8-I110 WeakPolarHBondContact O-CA 3.39Å; V8-I110 WeakPolarHBondContact O-CG2 3.15Å; V8-I111 PolarHBondContact O-N 2.97Å; V8-I196 HydrophobicContact CG1-CG1 4.35Å; V8-L199 HydrophobicContact CG1-CB 4.48Å; V8-L199 HydrophobicContact CG1-CD1 4.06Å; V8-L199 HydrophobicContact CG2-CB 3.75Å; V8-R200 HydrophobicContact CG2-CG 3.6Å |
| 9 | C | 97.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 123.6 | 177.4 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | I111 F129 K133 C134 L135 | C9-I111 CarbonylContact C-O 3.5Å; C9-I111 WeakPolarHBondContact CA-O 3.31Å; C9-F129 HydrophobicContact CB-CB 3.86Å; C9-F129 HydrophobicContact CB-CD1 4.05Å; C9-F129 HydrophobicContact CB-CD2 3.57Å; C9-F129 HydrophobicContact CB-CE2 4.12Å; C9-F129 HydrophobicContact CB-CG 3.54Å; C9-K133 PolarHBondContact N-O 3.08Å; C9-C134 CarbonylContact O-C 3.49Å; C9-C134 VanDerWaalsContact O-CA 3.25Å; C9-C134 WeakPolarHBondContact O-CA 3.38Å; C9-L135 PolarHBondContact O-N 3.46Å |
| 10 | V | 98.3 | Very high | 85 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 115.6 | 178.3 | -172.3 | 0 | 0 | 0 | 0 | 108.6 | V8 F12 L27 I110 I111 I112 I113 L135 I137 I196 | V8-V10 HydrophobicContact CG1-CG2 4.21Å; V10-F12 HydrophobicContact CB-CE2 4.41Å; V10-F12 HydrophobicContact CG1-CD2 4Å; V10-F12 HydrophobicContact CG1-CE2 3.44Å; V10-F12 VanDerWaalsContact CG1-CE2 3.44Å; V10-F12 HydrophobicContact CG1-CZ 4.19Å; V10-L27 HydrophobicContact CG1-CD2 4.46Å; V10-I110 HydrophobicContact CB-CG2 4.49Å; V10-I110 HydrophobicContact CG2-CG2 3.71Å; V10-I111 PolarHBondContact N-O 3.39Å; V10-I112 HydrophobicContact CB-CG1 4.48Å; V10-I112 CarbonylContact O-C 3.5Å; V10-I112 WeakPolarHBondContact O-CA 2.99Å; V10-I113 PolarHBondContact O-N 2.92Å; V10-L135 CarbonylContact C-O 3.51Å; V10-L135 WeakPolarHBondContact CA-O 3.37Å; V10-L135 HydrophobicContact CG1-CB 4.36Å; V10-L135 HydrophobicContact CG2-CB 4.4Å; V10-I137 HydrophobicContact CG1-CD1 3.47Å; V10-I137 VanDerWaalsContact CG1-CD1 3.47Å; V10-I137 HydrophobicContact CG1-CG1 4.15Å; V10-I196 HydrophobicContact CG2-CD1 3.88Å; V10-I196 HydrophobicContact CG2-CG1 4.17Å |
| 11 | V | 98.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 115 | -174.8 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | I113 A116 V122 F125 L135 L136 I137 | V11-I113 HydrophobicContact CB-CB 4.42Å; V11-I113 HydrophobicContact CG1-CB 4.21Å; V11-I113 HydrophobicContact CG1-CG2 4.43Å; V11-I113 HydrophobicContact CG2-CB 4.27Å; V11-I113 HydrophobicContact CG2-CG1 4.03Å; V11-A116 HydrophobicContact CG1-CB 3.52Å; V11-V122 HydrophobicContact CG1-CG2 4.32Å; V11-F125 HydrophobicContact CG2-CB 4.09Å; V11-F125 HydrophobicContact CG2-CD2 4.39Å; V11-F125 HydrophobicContact CG2-CG 4.47Å; V11-L135 PolarHBondContact N-O 2.7Å; V11-L136 HydrophobicContact CB-CD2 3.81Å; V11-L136 HydrophobicContact CG2-CD2 3.94Å; V11-I137 PolarHBondContact O-N 3.18Å |
| 12 | F | 98.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 134.5 | 176.8 | -78 | -94.4 | 0 | 0 | 0 | 111.8 | V10 K20 T23 V24 L27 I112 I113 A116 I137 I139 | V10-F12 HydrophobicContact CB-CE2 4.41Å; V10-F12 HydrophobicContact CG1-CD2 4Å; V10-F12 HydrophobicContact CG1-CE2 3.44Å; V10-F12 VanDerWaalsContact CG1-CE2 3.44Å; V10-F12 HydrophobicContact CG1-CZ 4.19Å; F12-K20 HydrophobicContact CB-CG 4.28Å; F12-T23 HydrophobicContact CE1-CG2 3.98Å; F12-V24 HydrophobicContact CB-CG2 4.11Å; F12-V24 HydrophobicContact CD1-CG2 4.03Å; F12-V24 HydrophobicContact CD2-CG2 3.83Å; F12-V24 HydrophobicContact CE1-CG2 4.41Å; F12-V24 HydrophobicContact CE2-CG2 4.22Å; F12-V24 HydrophobicContact CG-CG2 3.71Å; F12-V24 HydrophobicContact CZ-CG2 4.49Å; F12-L27 HydrophobicContact CE2-CD2 3.71Å; F12-L27 HydrophobicContact CZ-CD2 3.52Å; F12-I112 HydrophobicContact CD2-CG2 3.74Å; F12-I112 HydrophobicContact CE2-CG2 3.85Å; F12-I113 WeakPolarHBondContact CB-O 3.43Å; F12-I113 PolarHBondContact N-O 3.19Å; F12-A116 WeakPolarHBondContact O-CB 3.16Å; F12-A116 PolarHBondContact O-N 2.62Å; F12-I137 WeakPolarHBondContact CA-O 3.36Å; F12-I137 HydrophobicContact CD1-CB 4.08Å; F12-I137 HydrophobicContact CD1-CG2 3.96Å; F12-I137 HydrophobicContact CE1-CB 4.02Å; F12-I137 HydrophobicContact CE1-CD1 4.12Å; F12-I137 HydrophobicContact CE1-CG2 3.67Å; F12-I137 HydrophobicContact CE2-CD1 4.16Å; F12-I137 HydrophobicContact CZ-CB 4.42Å; F12-I137 HydrophobicContact CZ-CD1 3.73Å; F12-I137 HydrophobicContact CZ-CG2 4.35Å; F12-I139 HydrophobicContact CD1-CD1 3.98Å; F12-I139 HydrophobicContact CD1-CG1 4.05Å; F12-I139 HydrophobicContact CE1-CD1 3.98Å |
| 13 | S | 97.8 | Very high | 90.4 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 154.8 | 164.6 | -168.9 | 0 | 0 | 0 | 0 | 110.7 | A116 I137 R138 I139 L166 | S13-A116 WeakPolarHBondContact CB-O 3.27Å; S13-A116 PolarHBondContact OG-O 3.37Å; S13-I137 PolarHBondContact N-O 2.99Å; S13-R138 WeakPolarHBondContact O-CA 3.35Å; S13-R138 PolarHBondContact OG-NH1 3.17Å; S13-I139 PolarHBondContact O-N 3.05Å; S13-L166 VanDerWaalsContact OG-CD1 3.28Å; S13-L166 WeakPolarHBondContact OG-CD1 3.42Å |
| 14 | G | 96.4 | Very high | 92.6 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 5% | 0.052 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.4 | 142.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 15 | K | 94.9 | Very high | 94.4 | Very high | 57 Ų | 57 | 28.3 Ų | 28.3 | 25% | 0.248 | 14% | 0.144 | C | C | . | . | trans | -69.3 | 161.6 | -178.1 | -65 | -169.5 | 172.9 | -171.1 | 0 | 112.2 | K17 S18 D167 | K15-K17 PolarHBondContact O-N 3.44Å; K15-S18 WeakPolarHBondContact O-CB 3.43Å; K15-S18 PolarHBondContact O-N 3.27Å; K15-S18 PolarHBondContact O-OG 3.45Å; K15-D167 VanDerWaalsContact CE-CG 3.46Å; K15-D167 WeakPolarHBondContact CE-OD1 3.48Å; K15-D167 WeakPolarHBondContact CE-OD2 3.44Å; K15-D167 IonicContact NZ-OD1 3.17Å; K15-D167 PolarHBondContact NZ-OD1 3.05Å; K15-D167 IonicContact NZ-OD2 3.19Å; K15-D167 PolarHBondContact NZ-OD2 3.33Å | ||
| 16 | R | 92.9 | Very high | 95.8 | Very high | 51 Ų | 51 | 31 Ų | 31 | 19% | 0.192 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | 133.2 | 171.9 | -162.1 | 177.2 | 68 | 105.5 | -7 | 111.8 | S18 R146 S152 D158 E163 | R16-S18 PolarHBondContact O-N 3.13Å; R16-R146 PolarHBondContact O-NE 3.18Å; R16-R146 PolarHBondContact O-NH2 3.43Å; R16-S152 PolarHBondContact NH2-O 2.78Å; R16-D158 IonicContact CZ-OD1 3.54Å; R16-D158 IonicContact CZ-OD2 2.68Å; R16-D158 IonicContact NE-OD1 3.38Å; R16-D158 PolarHBondContact NE-OD1 3.03Å; R16-D158 IonicContact NE-OD2 3.9Å; R16-D158 IonicContact NH2-OD1 3.9Å; R16-D158 PolarHBondContact NH2-OD1 2.84Å; R16-D158 IonicContact NH2-OD2 3.68Å; R16-D158 PolarHBondContact NH2-OD2 2.79Å; R16-E163 PolarHBondContact N-OE2 3.18Å |
| 17 | K | 93.3 | Very high | 96.5 | Very high | 87 Ų | 87 | 27.1 Ų | 27.1 | 38% | 0.378 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 11.1 | -178.4 | -57.8 | -70.3 | -168.3 | 155 | 0 | 116.2 | K15 G19 R146 R149 W151 | K15-K17 PolarHBondContact O-N 3.44Å; K17-G19 PolarHBondContact O-N 3.43Å; K17-R146 HydrophobicContact CB-CB 4.38Å; K17-R149 WeakPolarHBondContact CD-O 3.48Å; K17-R149 WeakPolarHBondContact CE-O 3.39Å; K17-R149 PolarHBondContact NZ-O 3.34Å; K17-W151 HydrophobicContact CB-CB 3.87Å; K17-W151 HydrophobicContact CB-CG 4.27Å; K17-W151 HydrophobicContact CG-CB 3.81Å; K17-W151 HydrophobicContact CG-CG 4.27Å |
| 18 | S | 95.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 3% | 0.028 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -70.1 | -8.7 | 169.7 | 60.5 | 0 | 0 | 0 | 0 | 114.5 | K15 R16 K20 I139 T141 R149 N178 | K15-S18 WeakPolarHBondContact O-CB 3.43Å; K15-S18 PolarHBondContact O-N 3.27Å; K15-S18 PolarHBondContact O-OG 3.45Å; R16-S18 PolarHBondContact O-N 3.13Å; S18-K20 VanDerWaalsContact C-N 3.31Å; S18-I139 WeakPolarHBondContact O-CG2 3.31Å; S18-T141 VanDerWaalsContact CA-OG1 3.31Å; S18-T141 WeakPolarHBondContact CA-OG1 3.33Å; S18-T141 PolarHBondContact O-OG1 3.15Å; S18-R149 PolarHBondContact O-NH1 3.32Å; S18-N178 PolarHBondContact O-ND2 2.98Å |
| 19 | G | 95.7 | Very high | 96.8 | Very high | 20 Ų | 20 | 32.1 Ų | 32.1 | 21% | 0.206 | 16% | 0.156 | C | C | . | . | trans | 74.9 | 19.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | K17 D21 Y22 T23 N178 | K17-G19 PolarHBondContact O-N 3.43Å; G19-D21 PolarHBondContact O-N 3.13Å; G19-Y22 WeakPolarHBondContact O-CA 3.34Å; G19-Y22 VanDerWaalsContact O-CB 3.27Å; G19-Y22 WeakPolarHBondContact O-CB 3.29Å; G19-Y22 PolarHBondContact O-N 2.94Å; G19-Y22 VanDerWaalsContact O-N 3.11Å; G19-T23 PolarHBondContact O-N 3.43Å; G19-T23 PolarHBondContact O-OG1 2.82Å; G19-T23 VanDerWaalsContact O-OG1 3.07Å; G19-N178 WeakPolarHBondContact CA-ND2 3.38Å; G19-N178 PolarHBondContact O-ND2 2.97Å | ||
| 20 | K | 96.9 | Very high | 96.8 | Very high | 13 Ų | 13 | 33.5 Ų | 33.5 | 6% | 0.057 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -50.4 | -51.5 | 174 | -179 | -164.3 | 72.6 | -174.7 | 0 | 114 | F12 S18 Y22 T23 V24 S114 D115 I139 | F12-K20 HydrophobicContact CB-CG 4.28Å; S18-K20 VanDerWaalsContact C-N 3.31Å; K20-Y22 VanDerWaalsContact C-N 3.26Å; K20-Y22 PolarHBondContact O-N 2.8Å; K20-T23 WeakPolarHBondContact O-CB 3.41Å; K20-T23 PolarHBondContact O-N 2.85Å; K20-T23 VanDerWaalsContact O-N 3.1Å; K20-V24 WeakPolarHBondContact O-CG2 3.37Å; K20-V24 PolarHBondContact O-N 3.1Å; K20-S114 WeakPolarHBondContact CD-O 3.4Å; K20-S114 WeakPolarHBondContact CE-O 3.25Å; K20-S114 PolarHBondContact NZ-O 2.87Å; K20-D115 VanDerWaalsContact NZ-CB 3.35Å; K20-I139 HydrophobicContact CB-CB 4.37Å; K20-I139 HydrophobicContact CB-CG1 4.19Å; K20-I139 HydrophobicContact CG-CG1 4.2Å |
| 21 | D | 95.6 | Very high | 96.8 | Very high | 70 Ų | 70 | 33.5 Ų | 33.5 | 37% | 0.374 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -62.4 | -36 | 178.8 | -71.1 | -61.8 | 0 | 0 | 0 | 111.9 | G19 V24 N25 R42 | G19-D21 PolarHBondContact O-N 3.13Å; D21-V24 PolarHBondContact O-N 2.87Å; D21-N25 WeakPolarHBondContact O-CB 3.37Å; D21-N25 VanDerWaalsContact O-CG 3.22Å; D21-N25 PolarHBondContact O-N 3.05Å; D21-N25 PolarHBondContact O-ND2 2.73Å; D21-R42 IonicContact OD1-CZ 3Å; D21-R42 IonicContact OD1-NH1 3.34Å; D21-R42 PolarHBondContact OD1-NH1 2.86Å; D21-R42 IonicContact OD1-NH2 2.7Å |
| 22 | Y | 96 | Very high | 96.7 | Very high | 102 Ų | 102 | 40 Ų | 40 | 40% | 0.4 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.1 | -45.1 | 172.9 | 172.7 | -89.6 | 0 | 0 | 0 | 111.2 | G19 K20 N25 R26 F185 | G19-Y22 WeakPolarHBondContact O-CA 3.34Å; G19-Y22 VanDerWaalsContact O-CB 3.27Å; G19-Y22 WeakPolarHBondContact O-CB 3.29Å; G19-Y22 PolarHBondContact O-N 2.94Å; G19-Y22 VanDerWaalsContact O-N 3.11Å; K20-Y22 VanDerWaalsContact C-N 3.26Å; K20-Y22 PolarHBondContact O-N 2.8Å; Y22-N25 PolarHBondContact O-N 3.47Å; Y22-R26 HydrophobicContact CD1-CG 4.18Å; Y22-R26 HydrophobicContact CE1-CG 3.81Å; Y22-R26 HydrophobicContact CE2-CG 4.41Å; Y22-R26 WeakPolarHBondContact O-CG 3.26Å; Y22-R26 PolarHBondContact O-N 2.87Å; Y22-R26 PolarHBondContact OH-NH1 2.96Å; Y22-F185 HydrophobicContact CD1-CE1 4.46Å; Y22-F185 HydrophobicContact CD1-CZ 4.24Å; Y22-F185 AromaticContact CE1-CE1 3.87Å; Y22-F185 HydrophobicContact CE1-CE1 3.87Å; Y22-F185 HydrophobicContact CE1-CZ 4.11Å |
| 23 | T | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.1 | -44.2 | 176.8 | -53 | 0 | 0 | 0 | 0 | 112.5 | F12 G19 K20 N25 R26 L27 I139 F185 L189 | F12-T23 HydrophobicContact CE1-CG2 3.98Å; G19-T23 PolarHBondContact O-N 3.43Å; G19-T23 PolarHBondContact O-OG1 2.82Å; G19-T23 VanDerWaalsContact O-OG1 3.07Å; K20-T23 WeakPolarHBondContact O-CB 3.41Å; K20-T23 PolarHBondContact O-N 2.85Å; K20-T23 VanDerWaalsContact O-N 3.1Å; T23-N25 VanDerWaalsContact C-N 3.34Å; T23-N25 PolarHBondContact O-N 3.04Å; T23-R26 PolarHBondContact O-N 3.41Å; T23-L27 WeakPolarHBondContact O-CB 3.48Å; T23-L27 PolarHBondContact O-N 3.45Å; T23-I139 HydrophobicContact CG2-CD1 3.74Å; T23-F185 HydrophobicContact CG2-CE2 3.71Å; T23-F185 HydrophobicContact CG2-CZ 3.76Å; T23-F185 WeakPolarHBondContact OG1-CE2 3.37Å; T23-L189 HydrophobicContact CG2-CD2 3.95Å |
| 24 | V | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.7 | -47.7 | 175 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | F12 K20 D21 R26 L27 T28 V40 I112 | F12-V24 HydrophobicContact CB-CG2 4.11Å; F12-V24 HydrophobicContact CD1-CG2 4.03Å; F12-V24 HydrophobicContact CD2-CG2 3.83Å; F12-V24 HydrophobicContact CE1-CG2 4.41Å; F12-V24 HydrophobicContact CE2-CG2 4.22Å; F12-V24 HydrophobicContact CG-CG2 3.71Å; F12-V24 HydrophobicContact CZ-CG2 4.49Å; K20-V24 WeakPolarHBondContact O-CG2 3.37Å; K20-V24 PolarHBondContact O-N 3.1Å; D21-V24 PolarHBondContact O-N 2.87Å; V24-R26 PolarHBondContact O-N 3.31Å; V24-L27 PolarHBondContact O-N 3.28Å; V24-T28 WeakPolarHBondContact O-CB 3.46Å; V24-T28 PolarHBondContact O-N 3.15Å; V24-T28 PolarHBondContact O-OG1 2.92Å; V24-T28 VanDerWaalsContact O-OG1 3.09Å; V24-V40 HydrophobicContact CG1-CG1 4.22Å; V24-V40 HydrophobicContact CG1-CG2 4.42Å; V24-I112 HydrophobicContact CG1-CG2 4.11Å |
| 25 | N | 97.8 | Very high | 96.5 | Very high | 83 Ų | 83 | 59.5 Ų | 59.5 | 44% | 0.444 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 178.5 | -70.5 | -18.4 | 0 | 0 | 0 | 112.4 | D21 Y22 T23 T28 N29 | D21-N25 WeakPolarHBondContact O-CB 3.37Å; D21-N25 VanDerWaalsContact O-CG 3.22Å; D21-N25 PolarHBondContact O-N 3.05Å; D21-N25 PolarHBondContact O-ND2 2.73Å; Y22-N25 PolarHBondContact O-N 3.47Å; T23-N25 VanDerWaalsContact C-N 3.34Å; T23-N25 PolarHBondContact O-N 3.04Å; N25-T28 PolarHBondContact O-N 3.44Å; N25-N29 VanDerWaalsContact O-CG 3.28Å; N25-N29 PolarHBondContact O-N 2.86Å; N25-N29 PolarHBondContact O-ND2 3.39Å |
| 26 | R | 97.7 | Very high | 96.6 | Very high | 74 Ų | 74 | 57.4 Ų | 57.4 | 28% | 0.279 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 176.8 | -70.7 | -76.6 | -61.5 | -94.5 | -0 | 111.4 | Y22 T23 V24 L30 E182 F185 L189 | Y22-R26 HydrophobicContact CD1-CG 4.18Å; Y22-R26 HydrophobicContact CE1-CG 3.81Å; Y22-R26 HydrophobicContact CE2-CG 4.41Å; Y22-R26 WeakPolarHBondContact O-CG 3.26Å; Y22-R26 PolarHBondContact O-N 2.87Å; Y22-R26 PolarHBondContact OH-NH1 2.96Å; T23-R26 PolarHBondContact O-N 3.41Å; V24-R26 PolarHBondContact O-N 3.31Å; R26-L30 PolarHBondContact O-N 3.01Å; R26-E182 IonicContact CZ-OE2 3.21Å; R26-E182 IonicContact NH1-OE1 2.72Å; R26-E182 IonicContact NH1-OE2 2.99Å; R26-E182 PolarHBondContact NH1-OE2 2.72Å; R26-E182 IonicContact NH2-OE2 2.7Å; R26-F185 HydrophobicContact CB-CE1 4.36Å; R26-F185 HydrophobicContact CG-CE1 4.23Å; R26-L189 HydrophobicContact CB-CD1 3.69Å |
| 27 | L | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.6 | -47.6 | 175.9 | 179.5 | 62.7 | 0 | 0 | 0 | 111.2 | V10 F12 T23 V24 N29 L30 L31 L189 I192 V193 | V10-L27 HydrophobicContact CG1-CD2 4.46Å; F12-L27 HydrophobicContact CE2-CD2 3.71Å; F12-L27 HydrophobicContact CZ-CD2 3.52Å; T23-L27 WeakPolarHBondContact O-CB 3.48Å; T23-L27 PolarHBondContact O-N 3.45Å; V24-L27 PolarHBondContact O-N 3.28Å; L27-N29 VanDerWaalsContact C-N 3.31Å; L27-N29 PolarHBondContact O-N 3.23Å; L27-L30 CarbonylContact O-C 3.58Å; L27-L30 WeakPolarHBondContact O-CA 3.48Å; L27-L30 WeakPolarHBondContact O-CB 3.36Å; L27-L30 PolarHBondContact O-N 2.71Å; L27-L31 HydrophobicContact CD1-CD1 4.33Å; L27-L31 HydrophobicContact CD1-CG 4.13Å; L27-L31 HydrophobicContact CD2-CD1 4.45Å; L27-L31 HydrophobicContact CG-CD1 3.95Å; L27-L31 HydrophobicContact CG-CG 4.22Å; L27-L31 WeakPolarHBondContact O-CG 3.37Å; L27-L31 PolarHBondContact O-N 2.97Å; L27-L189 HydrophobicContact CB-CD2 4.27Å; L27-I192 HydrophobicContact CD1-CG2 4Å; L27-I192 HydrophobicContact CD2-CG2 4.09Å; L27-V193 HydrophobicContact CD1-CG2 3.57Å |
| 28 | T | 97.7 | Very high | 96.7 | Very high | 27 Ų | 27 | 53.9 Ų | 53.9 | 17% | 0.166 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.1 | -46 | 176.9 | -66 | 0 | 0 | 0 | 0 | 111.7 | V24 N25 L30 L31 Q32 C38 | V24-T28 WeakPolarHBondContact O-CB 3.46Å; V24-T28 PolarHBondContact O-N 3.15Å; V24-T28 PolarHBondContact O-OG1 2.92Å; V24-T28 VanDerWaalsContact O-OG1 3.09Å; N25-T28 PolarHBondContact O-N 3.44Å; T28-L30 VanDerWaalsContact C-N 3.32Å; T28-L30 PolarHBondContact O-N 3.25Å; T28-L31 PolarHBondContact O-N 3.22Å; T28-Q32 PolarHBondContact O-N 3.35Å; T28-C38 VanDerWaalsContact CG2-SG 3.59Å |
| 29 | N | 97.8 | Very high | 96.8 | Very high | 80 Ų | 80 | 54.2 Ų | 54.2 | 43% | 0.428 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.8 | -39.2 | 175.7 | -72 | -23.7 | 0 | 0 | 0 | 112.4 | N25 L27 R33 | N25-N29 VanDerWaalsContact O-CG 3.28Å; N25-N29 PolarHBondContact O-N 2.86Å; N25-N29 PolarHBondContact O-ND2 3.39Å; L27-N29 VanDerWaalsContact C-N 3.31Å; L27-N29 PolarHBondContact O-N 3.23Å; N29-R33 VanDerWaalsContact O-CG 3.3Å; N29-R33 WeakPolarHBondContact O-CG 3.31Å; N29-R33 PolarHBondContact O-N 3.29Å; N29-R33 VanDerWaalsContact O-N 3.12Å |
| 30 | L | 97.6 | Very high | 96.8 | Very high | 29 Ų | 29 | 55.2 Ų | 55.2 | 15% | 0.152 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.6 | -39.9 | 178.2 | -170.7 | 61.2 | 0 | 0 | 0 | 111.7 | R26 L27 T28 R33 N34 L189 V193 | R26-L30 PolarHBondContact O-N 3.01Å; L27-L30 CarbonylContact O-C 3.58Å; L27-L30 WeakPolarHBondContact O-CA 3.48Å; L27-L30 WeakPolarHBondContact O-CB 3.36Å; L27-L30 PolarHBondContact O-N 2.71Å; T28-L30 VanDerWaalsContact C-N 3.32Å; T28-L30 PolarHBondContact O-N 3.25Å; L30-R33 PolarHBondContact O-N 3.44Å; L30-N34 PolarHBondContact O-N 3.49Å; L30-N34 VanDerWaalsContact O-N 3.15Å; L30-N34 PolarHBondContact O-ND2 3.29Å; L30-L189 HydrophobicContact CD2-CB 4.03Å; L30-V193 HydrophobicContact CB-CG2 4.38Å; L30-V193 HydrophobicContact CD2-CB 4.36Å; L30-V193 HydrophobicContact CD2-CG2 3.62Å; L30-V193 HydrophobicContact CG-CG2 3.87Å |
| 31 | L | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 174.6 | -70.1 | 172 | 0 | 0 | 0 | 111.3 | L27 T28 R33 N34 H35 L36 C38 I110 I112 V193 I196 | L27-L31 HydrophobicContact CD1-CD1 4.33Å; L27-L31 HydrophobicContact CD1-CG 4.13Å; L27-L31 HydrophobicContact CD2-CD1 4.45Å; L27-L31 HydrophobicContact CG-CD1 3.95Å; L27-L31 HydrophobicContact CG-CG 4.22Å; L27-L31 WeakPolarHBondContact O-CG 3.37Å; L27-L31 PolarHBondContact O-N 2.97Å; T28-L31 PolarHBondContact O-N 3.22Å; L31-R33 VanDerWaalsContact C-N 3.34Å; L31-R33 PolarHBondContact O-N 3.1Å; L31-N34 CarbonylContact O-C 3.56Å; L31-N34 WeakPolarHBondContact O-CA 3.35Å; L31-N34 WeakPolarHBondContact O-CB 3.25Å; L31-N34 PolarHBondContact O-N 2.98Å; L31-H35 PolarHBondContact O-N 3.42Å; L31-L36 HydrophobicContact CB-CB 4.17Å; L31-L36 HydrophobicContact CD2-CB 4.32Å; L31-L36 HydrophobicContact CD2-CD1 3.6Å; L31-L36 WeakPolarHBondContact O-CB 3.31Å; L31-L36 PolarHBondContact O-N 3.47Å; L31-C38 HydrophobicContact CD1-CB 4.27Å; L31-I110 HydrophobicContact CD1-CD1 4.38Å; L31-I110 HydrophobicContact CD1-CG2 4.41Å; L31-I110 HydrophobicContact CD2-CD1 4.12Å; L31-I112 HydrophobicContact CD1-CD1 3.84Å; L31-V193 HydrophobicContact CD2-CG1 4.45Å; L31-V193 HydrophobicContact CD2-CG2 3.89Å; L31-V193 HydrophobicContact CG-CG2 4.39Å; L31-I196 HydrophobicContact CD1-CD1 4.49Å; L31-I196 HydrophobicContact CD2-CD1 3.91Å; L31-I196 HydrophobicContact CD2-CG2 4.29Å |
| 32 | Q | 96.5 | Very high | 96.8 | Very high | 136 Ų | 136 | 54.5 Ų | 54.5 | 64% | 0.636 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -60.5 | -42 | 176.8 | -174.3 | -179.9 | -6.1 | 0 | 0 | 112.2 | T28 N34 H35 | T28-Q32 PolarHBondContact O-N 3.35Å; Q32-N34 PolarHBondContact O-N 2.95Å; Q32-H35 PolarHBondContact O-N 2.95Å |
| 33 | R | 97.3 | Very high | 96.8 | Very high | 191 Ų | 191 | 49.9 Ų | 49.9 | 72% | 0.721 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -63.7 | -21.8 | 173.6 | -72 | 171.2 | -175.9 | 169.5 | 0.9 | 113.4 | N29 L30 L31 H35 | N29-R33 VanDerWaalsContact O-CG 3.3Å; N29-R33 WeakPolarHBondContact O-CG 3.31Å; N29-R33 PolarHBondContact O-N 3.29Å; N29-R33 VanDerWaalsContact O-N 3.12Å; L30-R33 PolarHBondContact O-N 3.44Å; L31-R33 VanDerWaalsContact C-N 3.34Å; L31-R33 PolarHBondContact O-N 3.1Å; R33-H35 VanDerWaalsContact C-N 3.32Å |
| 34 | N | 96.6 | Very high | 96.6 | Very high | 53 Ų | 53 | 51.7 Ų | 51.7 | 28% | 0.283 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 13.5 | 173.8 | -77.5 | -90.1 | 0 | 0 | 0 | 112.4 | L30 L31 Q32 L36 V193 K197 | L30-N34 PolarHBondContact O-N 3.49Å; L30-N34 VanDerWaalsContact O-N 3.15Å; L30-N34 PolarHBondContact O-ND2 3.29Å; L31-N34 CarbonylContact O-C 3.56Å; L31-N34 WeakPolarHBondContact O-CA 3.35Å; L31-N34 WeakPolarHBondContact O-CB 3.25Å; L31-N34 PolarHBondContact O-N 2.98Å; Q32-N34 PolarHBondContact O-N 2.95Å; N34-L36 HydrophobicContact CB-CD1 4.23Å; N34-L36 HydrophobicContact CB-CG 4.33Å; N34-L36 PolarHBondContact O-N 3.42Å; N34-V193 HydrophobicContact CB-CG1 4.5Å; N34-K197 WeakPolarHBondContact OD1-CE 3.41Å; N34-K197 PolarHBondContact OD1-NZ 3.18Å |
| 35 | H | 95.6 | Very high | 96.3 | Very high | 172 Ų | 172 | 54 Ų | 54 | 80% | 0.796 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 34.2 | -179.2 | -53.1 | -78.6 | 0 | 0 | 0 | 113.7 | L31 Q32 R33 | L31-H35 PolarHBondContact O-N 3.42Å; Q32-H35 PolarHBondContact O-N 2.95Å; R33-H35 VanDerWaalsContact C-N 3.32Å |
| 36 | L | 95.4 | Very high | 96 | Very high | 13 Ų | 13 | 50.1 Ų | 50.1 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | trans | -105.2 | 117.1 | 176 | -62.9 | 173.7 | 0 | 0 | 0 | 109.4 | L31 N34 D109 I110 I196 K197 | L31-L36 HydrophobicContact CB-CB 4.17Å; L31-L36 HydrophobicContact CD2-CB 4.32Å; L31-L36 HydrophobicContact CD2-CD1 3.6Å; L31-L36 WeakPolarHBondContact O-CB 3.31Å; L31-L36 PolarHBondContact O-N 3.47Å; N34-L36 HydrophobicContact CB-CD1 4.23Å; N34-L36 HydrophobicContact CB-CG 4.33Å; N34-L36 PolarHBondContact O-N 3.42Å; L36-D109 HydrophobicContact CD2-CB 4.49Å; L36-I110 HydrophobicContact CB-CD1 3.59Å; L36-I110 HydrophobicContact CD1-CD1 4.13Å; L36-I110 HydrophobicContact CD2-CD1 4.39Å; L36-I110 HydrophobicContact CG-CD1 4.26Å; L36-I196 HydrophobicContact CD1-CG2 4.34Å; L36-K197 HydrophobicContact CD1-CG 4.24Å | ||
| 37 | S | 94.9 | Very high | 95.8 | Very high | 40 Ų | 40 | 47.2 Ų | 47.2 | 28% | 0.28 | 23% | 0.231 | S | C | . | . | trans | -70.6 | 137.2 | 173.9 | 64.3 | 0 | 0 | 0 | 0 | 110.1 | D109 I110 | S37-D109 WeakPolarHBondContact CB-OD2 3.4Å; S37-D109 PolarHBondContact N-OD2 2.76Å; S37-D109 WeakPolarHBondContact O-CB 3.39Å; S37-D109 PolarHBondContact O-N 2.91Å; S37-D109 VanDerWaalsContact O-N 3.09Å; S37-D109 VanDerWaalsContact OG-CG 3.25Å; S37-D109 PolarHBondContact OG-N 2.97Å; S37-D109 PolarHBondContact OG-OD2 3.4Å; S37-I110 PolarHBondContact O-N 2.95Å | ||
| 38 | C | 95.5 | Very high | 95.5 | Very high | 25 Ų | 25 | 48.4 Ų | 48.4 | 17% | 0.169 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 147.7 | 177.7 | 67.3 | 0 | 0 | 0 | 0 | 112.4 | T28 L31 I110 I112 | T28-C38 VanDerWaalsContact CG2-SG 3.59Å; L31-C38 HydrophobicContact CD1-CB 4.27Å; C38-I110 CarbonylContact C-O 3.55Å; C38-I110 WeakPolarHBondContact CA-O 3.46Å; C38-I110 HydrophobicContact CB-CB 4Å; C38-I112 HydrophobicContact CB-CD1 4.19Å |
| 39 | L | 96.1 | Very high | 95.3 | Very high | 10 Ų | 10 | 48.8 Ų | 48.8 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 116.3 | 174.1 | 171.9 | 54.9 | 0 | 0 | 0 | 109 | V41 C103 P108 I110 I111 I112 | L39-V41 HydrophobicContact CD2-CG2 4.43Å; L39-V41 HydrophobicContact CG-CG2 4.12Å; L39-C103 HydrophobicContact CD1-CB 3.53Å; L39-C103 HydrophobicContact CD2-CB 4.41Å; L39-C103 HydrophobicContact CG-CB 4.49Å; L39-P108 HydrophobicContact CB-CB 4.02Å; L39-P108 HydrophobicContact CB-CG 3.89Å; L39-P108 HydrophobicContact CD2-CG 4.42Å; L39-I110 PolarHBondContact N-O 2.76Å; L39-I111 HydrophobicContact CB-CG1 4.45Å; L39-I112 PolarHBondContact O-N 3.03Å |
| 40 | V | 96.8 | Very high | 95.1 | Very high | 41 Ų | 41 | 48 Ų | 48 | 25% | 0.248 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 123.7 | 171.9 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | V24 I112 | V24-V40 HydrophobicContact CG1-CG1 4.22Å; V24-V40 HydrophobicContact CG1-CG2 4.42Å; V40-I112 CarbonylContact C-O 3.56Å; V40-I112 WeakPolarHBondContact CA-O 3.14Å; V40-I112 HydrophobicContact CG2-CB 4.4Å |
| 41 | V | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 131.5 | 176.6 | -177 | 0 | 0 | 0 | 0 | 108.7 | L39 S95 L96 I111 I112 I113 S114 | L39-V41 HydrophobicContact CD2-CG2 4.43Å; L39-V41 HydrophobicContact CG-CG2 4.12Å; V41-S95 WeakPolarHBondContact CG1-OG 3.42Å; V41-L96 HydrophobicContact CG2-CD1 4.27Å; V41-I111 HydrophobicContact CG2-CG2 3.84Å; V41-I112 PolarHBondContact N-O 2.92Å; V41-I113 HydrophobicContact CB-CD1 3.69Å; V41-I113 HydrophobicContact CG1-CD1 4.07Å; V41-I113 HydrophobicContact CG2-CD1 4.03Å; V41-S114 PolarHBondContact O-N 2.88Å; V41-S114 PolarHBondContact O-OG 3.44Å |
| 42 | R | 96.1 | Very high | 94.9 | Very high | 69 Ų | 69 | 46.8 Ų | 46.8 | 26% | 0.26 | 23% | 0.226 | S | C | . | . | trans | -115.8 | 113.2 | 175.8 | -60.7 | -166.3 | 176.4 | -91.2 | 2.7 | 108.5 | D21 S44 E45 P46 S114 D115 | D21-R42 IonicContact OD1-CZ 3Å; D21-R42 IonicContact OD1-NH1 3.34Å; D21-R42 PolarHBondContact OD1-NH1 2.86Å; D21-R42 IonicContact OD1-NH2 2.7Å; R42-S44 PolarHBondContact O-N 3.39Å; R42-E45 HydrophobicContact CB-CB 4.31Å; R42-E45 HydrophobicContact CB-CG 3.75Å; R42-E45 WeakPolarHBondContact CD-OE1 3.34Å; R42-E45 PolarHBondContact O-N 3.22Å; R42-P46 WeakPolarHBondContact O-CD 3.48Å; R42-S114 WeakPolarHBondContact CG-OG 3.39Å; R42-D115 WeakPolarHBondContact CA-OD1 3.48Å | ||
| 43 | I | 95.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -33.6 | 177.9 | -56.9 | 166.9 | 0 | 0 | 0 | 109.7 | E45 P46 I47 F91 T92 I113 D115 A116 D121 F125 | I43-E45 VanDerWaalsContact C-N 3.27Å; I43-E45 PolarHBondContact O-N 2.93Å; I43-P46 VanDerWaalsContact O-CD 3.26Å; I43-P46 WeakPolarHBondContact O-CD 3.49Å; I43-P46 WeakPolarHBondContact O-CG 3.38Å; I43-I47 HydrophobicContact CG2-CD1 4.01Å; I43-I47 WeakPolarHBondContact O-CD1 3.44Å; I43-I47 WeakPolarHBondContact O-CG1 3.31Å; I43-F91 HydrophobicContact CG2-CB 4.02Å; I43-T92 HydrophobicContact CD1-CG2 4.09Å; I43-T92 HydrophobicContact CG1-CG2 4.35Å; I43-T92 HydrophobicContact CG2-CG2 4.43Å; I43-I113 HydrophobicContact CD1-CG2 3.73Å; I43-I113 HydrophobicContact CG1-CG2 4.02Å; I43-D115 PolarHBondContact N-OD1 3.09Å; I43-D115 PolarHBondContact N-OD2 2.88Å; I43-A116 HydrophobicContact CD1-CB 4.48Å; I43-D121 HydrophobicContact CD1-CB 3.84Å; I43-F125 HydrophobicContact CD1-CE2 4.02Å; I43-F125 HydrophobicContact CG1-CE2 4.46Å |
| 44 | S | 92.3 | Very high | 94.7 | Very high | 38 Ų | 38 | 44.3 Ų | 44.3 | 27% | 0.266 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.8 | -19.9 | 178.9 | 56.8 | 0 | 0 | 0 | 0 | 115.1 | R42 K48 D115 | R42-S44 PolarHBondContact O-N 3.39Å; S44-K48 VanDerWaalsContact O-CG 3.31Å; S44-K48 WeakPolarHBondContact O-CG 3.35Å; S44-K48 PolarHBondContact O-N 2.82Å; S44-D115 WeakPolarHBondContact CB-OD2 3.44Å; S44-D115 PolarHBondContact N-OD2 3Å; S44-D115 VanDerWaalsContact N-OD2 3.08Å; S44-D115 PolarHBondContact OG-OD2 3.27Å |
| 45 | E | 91.6 | Very high | 94.6 | Very high | 50 Ų | 50 | 46.2 Ų | 46.2 | 23% | 0.234 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65 | -58.8 | 178.7 | -77.5 | -178.2 | -174.6 | 0 | 0 | 112.6 | R42 I43 I47 K48 S49 R102 | R42-E45 HydrophobicContact CB-CB 4.31Å; R42-E45 HydrophobicContact CB-CG 3.75Å; R42-E45 WeakPolarHBondContact CD-OE1 3.34Å; R42-E45 PolarHBondContact O-N 3.22Å; I43-E45 VanDerWaalsContact C-N 3.27Å; I43-E45 PolarHBondContact O-N 2.93Å; E45-I47 VanDerWaalsContact C-N 3.26Å; E45-I47 PolarHBondContact O-N 3.47Å; E45-K48 PolarHBondContact O-N 2.98Å; E45-K48 VanDerWaalsContact O-N 3.12Å; E45-S49 PolarHBondContact O-N 2.9Å; E45-S49 PolarHBondContact O-OG 3.32Å; E45-R102 IonicContact OE1-NH2 3.2Å; E45-R102 IonicContact OE2-CZ 3.61Å; E45-R102 IonicContact OE2-NH1 2.77Å; E45-R102 IonicContact OE2-NH2 2.72Å; E45-R102 PolarHBondContact OE2-NH2 3.47Å |
| 46 | P | 92.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.5 | -30.6 | 178.1 | 24.5 | -35.3 | 0 | 0 | 0 | 112.7 | R42 I43 K48 S49 Y50 K94 | R42-P46 WeakPolarHBondContact O-CD 3.48Å; I43-P46 VanDerWaalsContact O-CD 3.26Å; I43-P46 WeakPolarHBondContact O-CD 3.49Å; I43-P46 WeakPolarHBondContact O-CG 3.38Å; P46-K48 VanDerWaalsContact C-N 3.31Å; P46-K48 PolarHBondContact O-N 2.93Å; P46-S49 PolarHBondContact O-N 3.24Å; P46-Y50 HydrophobicContact CB-CD2 4.38Å; P46-Y50 HydrophobicContact CB-CE2 4.36Å; P46-Y50 WeakPolarHBondContact O-CB 3.38Å; P46-Y50 WeakPolarHBondContact O-CD2 3.38Å; P46-Y50 PolarHBondContact O-N 2.93Å; P46-K94 HydrophobicContact CB-CB 4.1Å; P46-K94 HydrophobicContact CG-CB 4.43Å |
| 47 | I | 93.1 | Very high | 94.4 | Very high | 13 Ų | 13 | 42.3 Ų | 42.3 | 7% | 0.067 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.6 | -49.3 | 173.4 | -67.2 | 161.6 | 0 | 0 | 0 | 110.1 | I43 E45 F51 M76 M80 F91 | I43-I47 HydrophobicContact CG2-CD1 4.01Å; I43-I47 WeakPolarHBondContact O-CD1 3.44Å; I43-I47 WeakPolarHBondContact O-CG1 3.31Å; E45-I47 VanDerWaalsContact C-N 3.26Å; E45-I47 PolarHBondContact O-N 3.47Å; I47-F51 WeakPolarHBondContact O-CB 3.36Å; I47-F51 PolarHBondContact O-N 3.36Å; I47-M76 HydrophobicContact CG2-CG 4.12Å; I47-M76 HydrophobicContact CG2-SD 4.23Å; I47-M80 HydrophobicContact CD1-CG 4.36Å; I47-M80 HydrophobicContact CD1-SD 3.36Å; I47-M80 WeakPolarHBondContact CD1-SD 3.21Å; I47-M80 HydrophobicContact CG1-CG 4.41Å; I47-M80 HydrophobicContact CG1-SD 3.97Å; I47-M80 HydrophobicContact CG2-CB 4.22Å; I47-M80 HydrophobicContact CG2-CG 4.27Å; I47-M80 HydrophobicContact CG2-SD 3.93Å; I47-F91 HydrophobicContact CB-CD1 4.27Å; I47-F91 HydrophobicContact CB-CE1 4.35Å; I47-F91 HydrophobicContact CD1-CB 4.31Å; I47-F91 HydrophobicContact CD1-CD2 4.39Å; I47-F91 HydrophobicContact CD1-CG 4.19Å; I47-F91 HydrophobicContact CG1-CB 3.91Å; I47-F91 HydrophobicContact CG1-CD1 3.43Å; I47-F91 VanDerWaalsContact CG1-CD1 3.43Å; I47-F91 HydrophobicContact CG1-CD2 3.82Å; I47-F91 HydrophobicContact CG1-CE1 3.85Å; I47-F91 HydrophobicContact CG1-CE2 4.21Å; I47-F91 HydrophobicContact CG1-CG 3.42Å; I47-F91 VanDerWaalsContact CG1-CG 3.42Å; I47-F91 HydrophobicContact CG1-CZ 4.22Å |
| 48 | K | 92.8 | Very high | 94.2 | Very high | 24 Ų | 24 | 44 Ų | 44 | 10% | 0.104 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.9 | -43.7 | -179.6 | -71 | 174 | 176.8 | -160.4 | 0 | 112.2 | S44 E45 P46 Y50 F51 A52 L59 L62 L63 M76 | S44-K48 VanDerWaalsContact O-CG 3.31Å; S44-K48 WeakPolarHBondContact O-CG 3.35Å; S44-K48 PolarHBondContact O-N 2.82Å; E45-K48 PolarHBondContact O-N 2.98Å; E45-K48 VanDerWaalsContact O-N 3.12Å; P46-K48 VanDerWaalsContact C-N 3.31Å; P46-K48 PolarHBondContact O-N 2.93Å; K48-Y50 VanDerWaalsContact C-N 3.34Å; K48-Y50 PolarHBondContact O-N 3.08Å; K48-F51 PolarHBondContact O-N 2.81Å; K48-A52 VanDerWaalsContact O-CB 3.26Å; K48-A52 WeakPolarHBondContact O-CB 3.45Å; K48-A52 PolarHBondContact O-N 2.82Å; K48-L59 HydrophobicContact CB-CD1 4.21Å; K48-L62 WeakPolarHBondContact CE-O 3.47Å; K48-L62 PolarHBondContact NZ-O 3.48Å; K48-L63 HydrophobicContact CB-CD2 4.46Å; K48-L63 HydrophobicContact CD-CD2 3.75Å; K48-M76 HydrophobicContact CG-CE 4.07Å; K48-M76 HydrophobicContact CG-SD 3.91Å |
| 49 | S | 93.2 | Very high | 94.1 | Very high | 35 Ų | 35 | 45.7 Ų | 45.7 | 25% | 0.245 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 179.6 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | E45 P46 A52 E53 | E45-S49 PolarHBondContact O-N 2.9Å; E45-S49 PolarHBondContact O-OG 3.32Å; P46-S49 PolarHBondContact O-N 3.24Å; S49-A52 PolarHBondContact O-N 2.8Å; S49-E53 WeakPolarHBondContact O-CB 3.41Å; S49-E53 PolarHBondContact O-N 2.91Å |
| 50 | Y | 94.2 | Very high | 93.8 | Very high | 63 Ų | 63 | 48.8 Ų | 48.8 | 25% | 0.247 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -76 | -36.2 | -176.4 | -76.4 | -124.4 | 0 | 0 | 0 | 111.2 | P46 K48 A52 E53 H54 K94 E98 | P46-Y50 HydrophobicContact CB-CD2 4.38Å; P46-Y50 HydrophobicContact CB-CE2 4.36Å; P46-Y50 WeakPolarHBondContact O-CB 3.38Å; P46-Y50 WeakPolarHBondContact O-CD2 3.38Å; P46-Y50 PolarHBondContact O-N 2.93Å; K48-Y50 VanDerWaalsContact C-N 3.34Å; K48-Y50 PolarHBondContact O-N 3.08Å; Y50-A52 VanDerWaalsContact C-N 3.33Å; Y50-E53 PolarHBondContact O-N 3.3Å; Y50-H54 WeakPolarHBondContact O-CB 3.17Å; Y50-H54 PolarHBondContact O-N 3.45Å; Y50-K94 HydrophobicContact CD1-CD 4.38Å; Y50-K94 HydrophobicContact CE1-CD 3.64Å; Y50-K94 HydrophobicContact CE2-CD 4.11Å; Y50-K94 VanDerWaalsContact CZ-CD 3.49Å; Y50-K94 VanDerWaalsContact CZ-NZ 3.31Å; Y50-K94 WeakPolarHBondContact OH-CD 3.35Å; Y50-K94 WeakPolarHBondContact OH-CE 3.44Å; Y50-K94 PolarHBondContact OH-NZ 3.08Å; Y50-E98 PolarHBondContact OH-OE1 3.49Å |
| 51 | F | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 171.4 | -179.6 | -100.7 | 0 | 0 | 0 | 111.3 | I47 K48 H54 Y55 L57 L62 Y72 Q75 M76 W79 | I47-F51 WeakPolarHBondContact O-CB 3.36Å; I47-F51 PolarHBondContact O-N 3.36Å; K48-F51 PolarHBondContact O-N 2.81Å; F51-H54 PolarHBondContact O-N 2.87Å; F51-Y55 AromaticContact CD2-CD2 3.43Å; F51-Y55 HydrophobicContact CD2-CD2 3.43Å; F51-Y55 VanDerWaalsContact CD2-CD2 3.43Å; F51-Y55 AromaticContact CD2-CE2 3.48Å; F51-Y55 HydrophobicContact CD2-CE2 3.48Å; F51-Y55 VanDerWaalsContact CD2-CE2 3.48Å; F51-Y55 HydrophobicContact CE1-CD2 4.43Å; F51-Y55 AromaticContact CE2-CD2 3.25Å; F51-Y55 HydrophobicContact CE2-CD2 3.25Å; F51-Y55 AromaticContact CE2-CE2 3.2Å; F51-Y55 HydrophobicContact CE2-CE2 3.2Å; F51-Y55 HydrophobicContact CE2-CG 4.29Å; F51-Y55 HydrophobicContact CG-CD2 4.11Å; F51-Y55 AromaticContact CZ-CD2 3.8Å; F51-Y55 HydrophobicContact CZ-CD2 3.8Å; F51-Y55 HydrophobicContact CZ-CE2 4.11Å; F51-Y55 HydrophobicContact CZ-CG 4.49Å; F51-Y55 WeakPolarHBondContact O-CD2 3.47Å; F51-Y55 PolarHBondContact O-N 2.64Å; F51-Y55 VanDerWaalsContact O-N 3.07Å; F51-L57 HydrophobicContact CD1-CD1 3.8Å; F51-L57 HydrophobicContact CE1-CD1 3.24Å; F51-L57 HydrophobicContact CZ-CD1 3.97Å; F51-L62 HydrophobicContact CD1-CD1 3.99Å; F51-L62 HydrophobicContact CE1-CD1 4.46Å; F51-Y72 HydrophobicContact CE1-CG 4.47Å; F51-Q75 HydrophobicContact CE2-CB 4.49Å; F51-Q75 HydrophobicContact CE2-CG 4.04Å; F51-Q75 HydrophobicContact CZ-CB 4.2Å; F51-Q75 HydrophobicContact CZ-CG 4Å; F51-M76 HydrophobicContact CB-CG 4.13Å; F51-M76 HydrophobicContact CD1-CB 4.06Å; F51-M76 HydrophobicContact CD1-CE 3.6Å; F51-M76 HydrophobicContact CD1-CG 3.98Å; F51-M76 HydrophobicContact CD2-CB 3.99Å; F51-M76 HydrophobicContact CD2-CG 4Å; F51-M76 HydrophobicContact CE1-CB 3.94Å; F51-M76 HydrophobicContact CE1-CE 3.97Å; F51-M76 HydrophobicContact CE1-CG 4.38Å; F51-M76 HydrophobicContact CE2-CB 3.89Å; F51-M76 HydrophobicContact CE2-CG 4.42Å; F51-M76 HydrophobicContact CG-CB 4.07Å; F51-M76 HydrophobicContact CG-CE 4.26Å; F51-M76 HydrophobicContact CG-CG 3.76Å; F51-M76 HydrophobicContact CZ-CB 3.87Å; F51-W79 HydrophobicContact CB-CE3 3.99Å; F51-W79 HydrophobicContact CB-CH2 4.48Å; F51-W79 HydrophobicContact CB-CZ3 3.9Å; F51-W79 HydrophobicContact CD2-CB 4.14Å; F51-W79 AromaticContact CD2-CD2 3.91Å; F51-W79 HydrophobicContact CD2-CD2 3.91Å; F51-W79 AromaticContact CD2-CE3 3.79Å; F51-W79 HydrophobicContact CD2-CE3 3.79Å; F51-W79 HydrophobicContact CD2-CG 4.06Å; F51-W79 HydrophobicContact CE2-CB 4.19Å; F51-W79 HydrophobicContact CE2-CG 4.48Å; F51-W79 HydrophobicContact CG-CE3 4.38Å |
| 52 | A | 95.1 | Very high | 93 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 3% | 0.033 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K48 S49 Y50 G56 L57 L59 L62 | K48-A52 VanDerWaalsContact O-CB 3.26Å; K48-A52 WeakPolarHBondContact O-CB 3.45Å; K48-A52 PolarHBondContact O-N 2.82Å; S49-A52 PolarHBondContact O-N 2.8Å; Y50-A52 VanDerWaalsContact C-N 3.33Å; A52-G56 CarbonylContact O-C 3.59Å; A52-G56 WeakPolarHBondContact O-CA 3.48Å; A52-G56 PolarHBondContact O-N 2.68Å; A52-L57 HydrophobicContact CB-CB 4.44Å; A52-L57 PolarHBondContact O-N 2.79Å; A52-L59 HydrophobicContact CB-CB 4Å; A52-L59 HydrophobicContact CB-CD1 4.12Å; A52-L62 HydrophobicContact CB-CD1 3.69Å |
| 53 | E | 95.1 | Very high | 92.4 | Very high | 154 Ų | 154 | 51 Ų | 51 | 72% | 0.72 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61.4 | -46.8 | 176.5 | -175 | 179.6 | -176.9 | 0 | 0 | 111.8 | S49 Y50 Y55 G56 | S49-E53 WeakPolarHBondContact O-CB 3.41Å; S49-E53 PolarHBondContact O-N 2.91Å; Y50-E53 PolarHBondContact O-N 3.3Å; E53-Y55 VanDerWaalsContact C-N 3.35Å; E53-Y55 PolarHBondContact O-N 3.21Å; E53-G56 PolarHBondContact O-N 2.82Å |
| 54 | H | 93.6 | Very high | 91.7 | Very high | 121 Ų | 121 | 52.8 Ų | 52.8 | 56% | 0.56 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -65.2 | -35.4 | -176.6 | -171.1 | 77.7 | 0 | 0 | 0 | 113.4 | Y50 F51 W79 | Y50-H54 WeakPolarHBondContact O-CB 3.17Å; Y50-H54 PolarHBondContact O-N 3.45Å; F51-H54 PolarHBondContact O-N 2.87Å; H54-W79 HydrophobicContact CB-CZ2 4.45Å; H54-W79 AromaticContact CD2-NE1 3.54Å; H54-W79 AromaticContact CG-NE1 3.87Å; H54-W79 AromaticContact NE2-NE1 3.87Å |
| 55 | Y | 94.4 | Very high | 90.7 | Very high | 94 Ų | 94 | 56.8 Ų | 56.8 | 37% | 0.369 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -104.4 | 4.3 | -177.9 | -70.8 | -76 | 0 | 0 | 0 | 114 | F51 E53 L57 W79 | F51-Y55 AromaticContact CD2-CD2 3.43Å; F51-Y55 HydrophobicContact CD2-CD2 3.43Å; F51-Y55 VanDerWaalsContact CD2-CD2 3.43Å; F51-Y55 AromaticContact CD2-CE2 3.48Å; F51-Y55 HydrophobicContact CD2-CE2 3.48Å; F51-Y55 VanDerWaalsContact CD2-CE2 3.48Å; F51-Y55 HydrophobicContact CE1-CD2 4.43Å; F51-Y55 AromaticContact CE2-CD2 3.25Å; F51-Y55 HydrophobicContact CE2-CD2 3.25Å; F51-Y55 AromaticContact CE2-CE2 3.2Å; F51-Y55 HydrophobicContact CE2-CE2 3.2Å; F51-Y55 HydrophobicContact CE2-CG 4.29Å; F51-Y55 HydrophobicContact CG-CD2 4.11Å; F51-Y55 AromaticContact CZ-CD2 3.8Å; F51-Y55 HydrophobicContact CZ-CD2 3.8Å; F51-Y55 HydrophobicContact CZ-CE2 4.11Å; F51-Y55 HydrophobicContact CZ-CG 4.49Å; F51-Y55 WeakPolarHBondContact O-CD2 3.47Å; F51-Y55 PolarHBondContact O-N 2.64Å; F51-Y55 VanDerWaalsContact O-N 3.07Å; E53-Y55 VanDerWaalsContact C-N 3.35Å; E53-Y55 PolarHBondContact O-N 3.21Å; Y55-L57 PolarHBondContact O-N 2.89Å; Y55-W79 HydrophobicContact CE2-CB 4.18Å; Y55-W79 AromaticContact CE2-CD1 3.62Å; Y55-W79 HydrophobicContact CE2-CD2 4.46Å; Y55-W79 AromaticContact CE2-CG 3.83Å; Y55-W79 HydrophobicContact CE2-CG 3.83Å; Y55-W79 AromaticContact CZ-CD1 3.95Å |
| 56 | G | 94 | Very high | 90 | Very high | 71 Ų | 71 | 56.7 Ų | 56.7 | 73% | 0.732 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 40 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | A52 E53 | A52-G56 CarbonylContact O-C 3.59Å; A52-G56 WeakPolarHBondContact O-CA 3.48Å; A52-G56 PolarHBondContact O-N 2.68Å; E53-G56 PolarHBondContact O-N 2.82Å |
| 57 | L | 93.6 | Very high | 89.5 | Confident | 32 Ų | 32 | 65 Ų | 65 | 17% | 0.168 | 36% | 0.356 | C | S | . | . | trans | -98.1 | 161.7 | -178.4 | -54.5 | 174.3 | 0 | 0 | 0 | 111.9 | F51 A52 Y55 L59 L62 Y72 | F51-L57 HydrophobicContact CD1-CD1 3.8Å; F51-L57 HydrophobicContact CE1-CD1 3.24Å; F51-L57 HydrophobicContact CZ-CD1 3.97Å; A52-L57 HydrophobicContact CB-CB 4.44Å; A52-L57 PolarHBondContact O-N 2.79Å; Y55-L57 PolarHBondContact O-N 2.89Å; L57-L59 PolarHBondContact O-N 2.98Å; L57-L62 HydrophobicContact CB-CD1 3.91Å; L57-L62 HydrophobicContact CD1-CD1 4.08Å; L57-Y72 HydrophobicContact CD1-CD1 4.14Å; L57-Y72 HydrophobicContact CD1-CD2 4.28Å; L57-Y72 HydrophobicContact CD1-CE1 4.39Å; L57-Y72 HydrophobicContact CD1-CG 4.09Å; L57-Y72 HydrophobicContact CD2-CE1 4.06Å; L57-Y72 HydrophobicContact CD2-CE2 4.21Å | ||
| 58 | D | 91.4 | Very high | 89.1 | Confident | 76 Ų | 76 | 67.2 Ų | 67.2 | 41% | 0.406 | 36% | 0.364 | S | S | . | . | trans | -76.6 | 111.6 | 175 | -169.6 | -39.4 | 0 | 0 | 0 | 110.5 | S60 E61 L62 Y68 | D58-S60 VanDerWaalsContact C-N 3.33Å; D58-S60 PolarHBondContact O-N 3.15Å; D58-S60 WeakPolarHBondContact OD1-CA 3.49Å; D58-S60 WeakPolarHBondContact OD1-CB 3.15Å; D58-S60 PolarHBondContact OD1-N 3.25Å; D58-S60 PolarHBondContact OD1-OG 3.24Å; D58-E61 HydrophobicContact CB-CB 3.99Å; D58-E61 HydrophobicContact CB-CG 3.92Å; D58-E61 PolarHBondContact O-N 3.4Å; D58-E61 PolarHBondContact OD1-N 2.95Å; D58-L62 WeakPolarHBondContact O-CG 3.39Å; D58-L62 PolarHBondContact O-N 2.95Å; D58-L62 VanDerWaalsContact O-N 3.09Å; D58-Y68 PolarHBondContact N-OH 3.32Å | ||
| 59 | L | 91.8 | Very high | 88.6 | Confident | 59 Ų | 59 | 68.5 Ų | 68.5 | 31% | 0.309 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.3 | -36.7 | 178.9 | 179.4 | 55.9 | 0 | 0 | 0 | 112.5 | K48 A52 L57 E61 L62 L63 | K48-L59 HydrophobicContact CB-CD1 4.21Å; A52-L59 HydrophobicContact CB-CB 4Å; A52-L59 HydrophobicContact CB-CD1 4.12Å; L57-L59 PolarHBondContact O-N 2.98Å; L59-E61 VanDerWaalsContact C-N 3.32Å; L59-E61 PolarHBondContact O-N 2.96Å; L59-L62 PolarHBondContact O-N 2.86Å; L59-L63 HydrophobicContact CD1-CD1 3.95Å; L59-L63 HydrophobicContact CD1-CD2 4.49Å; L59-L63 HydrophobicContact CD1-CG 3.89Å; L59-L63 HydrophobicContact CD2-CD1 4.45Å; L59-L63 HydrophobicContact CG-CD1 3.8Å; L59-L63 HydrophobicContact CG-CG 4.23Å; L59-L63 WeakPolarHBondContact O-CB 3.33Å; L59-L63 VanDerWaalsContact O-CG 3.25Å; L59-L63 WeakPolarHBondContact O-CG 3.28Å; L59-L63 PolarHBondContact O-N 2.78Å |
| 60 | S | 90.2 | Very high | 88.1 | Confident | 75 Ų | 75 | 70.8 Ų | 70.8 | 52% | 0.524 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | -179.3 | 74.2 | 0 | 0 | 0 | 0 | 110.9 | D58 L63 S64 | D58-S60 VanDerWaalsContact C-N 3.33Å; D58-S60 PolarHBondContact O-N 3.15Å; D58-S60 WeakPolarHBondContact OD1-CA 3.49Å; D58-S60 WeakPolarHBondContact OD1-CB 3.15Å; D58-S60 PolarHBondContact OD1-N 3.25Å; D58-S60 PolarHBondContact OD1-OG 3.24Å; S60-L63 PolarHBondContact O-N 3.1Å; S60-S64 PolarHBondContact O-N 3.26Å; S60-S64 VanDerWaalsContact O-N 3.15Å |
| 61 | E | 89.3 | Confident | 87.8 | Confident | 73 Ų | 73 | 74.9 Ų | 74.9 | 34% | 0.341 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 174.6 | -69.4 | -71.4 | 119.9 | 0 | 0 | 111.7 | D58 L59 L63 S64 N66 Y68 | D58-E61 HydrophobicContact CB-CB 3.99Å; D58-E61 HydrophobicContact CB-CG 3.92Å; D58-E61 PolarHBondContact O-N 3.4Å; D58-E61 PolarHBondContact OD1-N 2.95Å; L59-E61 VanDerWaalsContact C-N 3.32Å; L59-E61 PolarHBondContact O-N 2.96Å; E61-L63 VanDerWaalsContact C-N 3.31Å; E61-L63 PolarHBondContact O-N 2.98Å; E61-S64 WeakPolarHBondContact O-CB 3.46Å; E61-S64 PolarHBondContact O-N 2.99Å; E61-S64 PolarHBondContact O-OG 3.37Å; E61-N66 PolarHBondContact O-OD1 2.67Å; E61-N66 PolarHBondContact OE2-ND2 3.31Å; E61-Y68 HydrophobicContact CB-CD1 3.54Å; E61-Y68 HydrophobicContact CB-CD2 4.31Å; E61-Y68 HydrophobicContact CB-CE1 3.8Å; E61-Y68 HydrophobicContact CB-CG 3.82Å |
| 62 | L | 87.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.6 | -29.5 | 176.6 | -71.9 | 172.1 | 0 | 0 | 0 | 113.9 | K48 F51 A52 L57 D58 L59 S64 Y68 Y72 M76 | K48-L62 WeakPolarHBondContact CE-O 3.47Å; K48-L62 PolarHBondContact NZ-O 3.48Å; F51-L62 HydrophobicContact CD1-CD1 3.99Å; F51-L62 HydrophobicContact CE1-CD1 4.46Å; A52-L62 HydrophobicContact CB-CD1 3.69Å; L57-L62 HydrophobicContact CB-CD1 3.91Å; L57-L62 HydrophobicContact CD1-CD1 4.08Å; D58-L62 WeakPolarHBondContact O-CG 3.39Å; D58-L62 PolarHBondContact O-N 2.95Å; D58-L62 VanDerWaalsContact O-N 3.09Å; L59-L62 PolarHBondContact O-N 2.86Å; L62-S64 VanDerWaalsContact C-N 3.34Å; L62-Y68 HydrophobicContact CD2-CD1 3.89Å; L62-Y68 HydrophobicContact CD2-CE1 3.84Å; L62-Y68 HydrophobicContact CG-CD1 4.16Å; L62-Y68 HydrophobicContact CG-CE1 3.83Å; L62-Y72 HydrophobicContact CD2-CD2 4.13Å; L62-M76 HydrophobicContact CD1-CE 4.39Å; L62-M76 HydrophobicContact CD2-CE 3.82Å |
| 63 | L | 84.5 | Confident | 87.2 | Confident | 83 Ų | 83 | 78.3 Ų | 78.3 | 44% | 0.435 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -74.6 | -28 | 175.1 | -73.7 | 170.7 | 0 | 0 | 0 | 111.9 | K48 L59 S60 E61 | K48-L63 HydrophobicContact CB-CD2 4.46Å; K48-L63 HydrophobicContact CD-CD2 3.75Å; L59-L63 HydrophobicContact CD1-CD1 3.95Å; L59-L63 HydrophobicContact CD1-CD2 4.49Å; L59-L63 HydrophobicContact CD1-CG 3.89Å; L59-L63 HydrophobicContact CD2-CD1 4.45Å; L59-L63 HydrophobicContact CG-CD1 3.8Å; L59-L63 HydrophobicContact CG-CG 4.23Å; L59-L63 WeakPolarHBondContact O-CB 3.33Å; L59-L63 VanDerWaalsContact O-CG 3.25Å; L59-L63 WeakPolarHBondContact O-CG 3.28Å; L59-L63 PolarHBondContact O-N 2.78Å; S60-L63 PolarHBondContact O-N 3.1Å; E61-L63 VanDerWaalsContact C-N 3.31Å; E61-L63 PolarHBondContact O-N 2.98Å |
| 64 | S | 80.2 | Confident | 86.9 | Confident | 42 Ų | 42 | 78.5 Ų | 78.5 | 29% | 0.294 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -70.4 | 171.6 | 177.5 | 88.3 | 0 | 0 | 0 | 0 | 113.4 | S60 E61 L62 N66 K69 | S60-S64 PolarHBondContact O-N 3.26Å; S60-S64 VanDerWaalsContact O-N 3.15Å; E61-S64 WeakPolarHBondContact O-CB 3.46Å; E61-S64 PolarHBondContact O-N 2.99Å; E61-S64 PolarHBondContact O-OG 3.37Å; L62-S64 VanDerWaalsContact C-N 3.34Å; S64-N66 PolarHBondContact OG-ND2 3Å; S64-N66 PolarHBondContact OG-OD1 2.97Å; S64-N66 VanDerWaalsContact OG-OD1 3.13Å; S64-K69 VanDerWaalsContact O-CD 3.3Å; S64-K69 WeakPolarHBondContact O-CD 3.21Å |
| 65 | S | 72.1 | Confident | 86.9 | Confident | 122 Ų | 122 | 76.3 Ų | 76.3 | 85% | 0.853 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -102.4 | 43.2 | 178.6 | 61.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 66 | N | 76.6 | Confident | 86.8 | Confident | 48 Ų | 48 | 72.8 Ų | 72.8 | 26% | 0.257 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -104.7 | 178.4 | -175.1 | 68.7 | 3.1 | 0 | 0 | 0 | 113.2 | E61 S64 Y68 K69 | E61-N66 PolarHBondContact O-OD1 2.67Å; E61-N66 PolarHBondContact OE2-ND2 3.31Å; S64-N66 PolarHBondContact OG-ND2 3Å; S64-N66 PolarHBondContact OG-OD1 2.97Å; S64-N66 VanDerWaalsContact OG-OD1 3.13Å; N66-Y68 PolarHBondContact O-N 2.92Å; N66-Y68 WeakPolarHBondContact OD1-CB 3.35Å; N66-Y68 PolarHBondContact OD1-N 3.26Å; N66-Y68 VanDerWaalsContact OD1-N 3.15Å; N66-K69 PolarHBondContact O-N 2.56Å; N66-K69 PolarHBondContact OD1-N 2.85Å; N66-K69 VanDerWaalsContact OD1-N 3.08Å |
| 67 | E | 82.5 | Confident | 86.6 | Confident | 176 Ų | 176 | 70.7 Ų | 70.7 | 82% | 0.822 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.7 | -27.6 | 175.5 | -65.1 | -177.4 | 170.1 | 0 | 0 | 112.8 | K69 E70 K71 | E67-K69 VanDerWaalsContact C-N 3.34Å; E67-K69 PolarHBondContact O-N 3.38Å; E67-E70 PolarHBondContact O-N 3.39Å; E67-E70 VanDerWaalsContact O-N 3.16Å; E67-K71 PolarHBondContact O-N 3.3Å |
| 68 | Y | 85 | Confident | 86.5 | Confident | 59 Ų | 59 | 73.2 Ų | 73.2 | 23% | 0.231 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.1 | -45.9 | 177 | -169.8 | -85 | 0 | 0 | 0 | 111.3 | D58 E61 L62 N66 E70 K71 Y72 | D58-Y68 PolarHBondContact N-OH 3.32Å; E61-Y68 HydrophobicContact CB-CD1 3.54Å; E61-Y68 HydrophobicContact CB-CD2 4.31Å; E61-Y68 HydrophobicContact CB-CE1 3.8Å; E61-Y68 HydrophobicContact CB-CG 3.82Å; L62-Y68 HydrophobicContact CD2-CD1 3.89Å; L62-Y68 HydrophobicContact CD2-CE1 3.84Å; L62-Y68 HydrophobicContact CG-CD1 4.16Å; L62-Y68 HydrophobicContact CG-CE1 3.83Å; N66-Y68 PolarHBondContact O-N 2.92Å; N66-Y68 WeakPolarHBondContact OD1-CB 3.35Å; N66-Y68 PolarHBondContact OD1-N 3.26Å; N66-Y68 VanDerWaalsContact OD1-N 3.15Å; Y68-E70 VanDerWaalsContact C-N 3.34Å; Y68-E70 PolarHBondContact O-N 3.43Å; Y68-K71 WeakPolarHBondContact O-CB 3.31Å; Y68-K71 PolarHBondContact O-N 3.27Å; Y68-Y72 AromaticContact CD1-CD2 3.92Å; Y68-Y72 HydrophobicContact CD1-CD2 3.92Å; Y68-Y72 AromaticContact CD1-CE2 3.97Å; Y68-Y72 HydrophobicContact CD1-CE2 3.97Å; Y68-Y72 HydrophobicContact CD2-CE2 4.16Å; Y68-Y72 AromaticContact CE1-CD2 3.74Å; Y68-Y72 HydrophobicContact CE1-CD2 3.74Å; Y68-Y72 AromaticContact CE1-CE2 3.57Å; Y68-Y72 HydrophobicContact CE1-CE2 3.57Å; Y68-Y72 AromaticContact CE2-CE2 3.81Å; Y68-Y72 HydrophobicContact CE2-CE2 3.81Å; Y68-Y72 HydrophobicContact CG-CD2 4.46Å; Y68-Y72 HydrophobicContact CG-CE2 4.23Å; Y68-Y72 AromaticContact CZ-CE2 3.51Å; Y68-Y72 VanDerWaalsContact O-CD2 3.25Å; Y68-Y72 WeakPolarHBondContact O-CD2 2.94Å; Y68-Y72 PolarHBondContact O-N 2.9Å |
| 69 | K | 82.2 | Confident | 86.7 | Confident | 52 Ų | 52 | 70.8 Ų | 70.8 | 23% | 0.226 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 174.8 | 177.2 | -174.2 | 165.3 | -162.7 | 0 | 112.1 | S64 N66 E67 Y72 R73 | S64-K69 VanDerWaalsContact O-CD 3.3Å; S64-K69 WeakPolarHBondContact O-CD 3.21Å; N66-K69 PolarHBondContact O-N 2.56Å; N66-K69 PolarHBondContact OD1-N 2.85Å; N66-K69 VanDerWaalsContact OD1-N 3.08Å; E67-K69 VanDerWaalsContact C-N 3.34Å; E67-K69 PolarHBondContact O-N 3.38Å; K69-Y72 PolarHBondContact O-N 3Å; K69-R73 PolarHBondContact O-N 3.18Å |
| 70 | E | 82.1 | Confident | 86.7 | Confident | 82 Ų | 82 | 68.4 Ų | 68.4 | 38% | 0.383 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -69.3 | -36.2 | -178.7 | -64.2 | -55.3 | 136.4 | 0 | 0 | 111.9 | E67 Y68 Y72 R73 | E67-E70 PolarHBondContact O-N 3.39Å; E67-E70 VanDerWaalsContact O-N 3.16Å; Y68-E70 VanDerWaalsContact C-N 3.34Å; Y68-E70 PolarHBondContact O-N 3.43Å; E70-Y72 VanDerWaalsContact C-N 3.3Å; E70-Y72 PolarHBondContact O-N 2.74Å; E70-R73 WeakPolarHBondContact O-CB 3.38Å; E70-R73 PolarHBondContact O-N 3.34Å; E70-R73 IonicContact OE1-CZ 3.74Å; E70-R73 IonicContact OE1-NE 2.86Å; E70-R73 PolarHBondContact OE1-NE 3.2Å; E70-R73 IonicContact OE1-NH2 2.93Å; E70-R73 PolarHBondContact OE1-NH2 3.4Å; E70-R73 WeakPolarHBondContact OE2-CD 3.28Å; E70-R73 IonicContact OE2-CZ 2.84Å; E70-R73 IonicContact OE2-NE 3.98Å; E70-R73 PolarHBondContact OE2-NE 3.33Å; E70-R73 IonicContact OE2-NH2 3.52Å |
| 71 | K | 87.6 | Confident | 86.8 | Confident | 150 Ų | 150 | 67.2 Ų | 67.2 | 65% | 0.652 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -54.1 | -44 | 173.7 | -179 | -173.9 | 177.1 | -168.4 | 0 | 112.5 | E67 Y68 | E67-K71 PolarHBondContact O-N 3.3Å; Y68-K71 WeakPolarHBondContact O-CB 3.31Å; Y68-K71 PolarHBondContact O-N 3.27Å |
| 72 | Y | 90.6 | Very high | 87.1 | Confident | 38 Ų | 38 | 68.4 Ų | 68.4 | 15% | 0.149 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -96.1 | -1.8 | -177.4 | -61.8 | -69.4 | 0 | 0 | 0 | 114.2 | F51 L57 L62 Y68 K69 E70 K74 Q75 M76 | F51-Y72 HydrophobicContact CE1-CG 4.47Å; L57-Y72 HydrophobicContact CD1-CD1 4.14Å; L57-Y72 HydrophobicContact CD1-CD2 4.28Å; L57-Y72 HydrophobicContact CD1-CE1 4.39Å; L57-Y72 HydrophobicContact CD1-CG 4.09Å; L57-Y72 HydrophobicContact CD2-CE1 4.06Å; L57-Y72 HydrophobicContact CD2-CE2 4.21Å; L62-Y72 HydrophobicContact CD2-CD2 4.13Å; Y68-Y72 AromaticContact CD1-CD2 3.92Å; Y68-Y72 HydrophobicContact CD1-CD2 3.92Å; Y68-Y72 AromaticContact CD1-CE2 3.97Å; Y68-Y72 HydrophobicContact CD1-CE2 3.97Å; Y68-Y72 HydrophobicContact CD2-CE2 4.16Å; Y68-Y72 AromaticContact CE1-CD2 3.74Å; Y68-Y72 HydrophobicContact CE1-CD2 3.74Å; Y68-Y72 AromaticContact CE1-CE2 3.57Å; Y68-Y72 HydrophobicContact CE1-CE2 3.57Å; Y68-Y72 AromaticContact CE2-CE2 3.81Å; Y68-Y72 HydrophobicContact CE2-CE2 3.81Å; Y68-Y72 HydrophobicContact CG-CD2 4.46Å; Y68-Y72 HydrophobicContact CG-CE2 4.23Å; Y68-Y72 AromaticContact CZ-CE2 3.51Å; Y68-Y72 VanDerWaalsContact O-CD2 3.25Å; Y68-Y72 WeakPolarHBondContact O-CD2 2.94Å; Y68-Y72 PolarHBondContact O-N 2.9Å; K69-Y72 PolarHBondContact O-N 3Å; E70-Y72 VanDerWaalsContact C-N 3.3Å; E70-Y72 PolarHBondContact O-N 2.74Å; Y72-K74 PolarHBondContact O-N 3.05Å; Y72-Q75 PolarHBondContact O-N 3.37Å; Y72-M76 VanDerWaalsContact O-CB 3.31Å; Y72-M76 WeakPolarHBondContact O-CB 3.48Å; Y72-M76 PolarHBondContact O-N 3.39Å |
| 73 | R | 87.8 | Confident | 87.5 | Confident | 38 Ų | 38 | 70.3 Ų | 70.3 | 14% | 0.143 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -55.2 | -49.2 | -174.2 | 177.6 | -176.7 | -77.7 | -109.2 | 5.4 | 112.3 | K69 E70 M76 I77 | K69-R73 PolarHBondContact O-N 3.18Å; E70-R73 WeakPolarHBondContact O-CB 3.38Å; E70-R73 PolarHBondContact O-N 3.34Å; E70-R73 IonicContact OE1-CZ 3.74Å; E70-R73 IonicContact OE1-NE 2.86Å; E70-R73 PolarHBondContact OE1-NE 3.2Å; E70-R73 IonicContact OE1-NH2 2.93Å; E70-R73 PolarHBondContact OE1-NH2 3.4Å; E70-R73 WeakPolarHBondContact OE2-CD 3.28Å; E70-R73 IonicContact OE2-CZ 2.84Å; E70-R73 IonicContact OE2-NE 3.98Å; E70-R73 PolarHBondContact OE2-NE 3.33Å; E70-R73 IonicContact OE2-NH2 3.52Å; R73-M76 PolarHBondContact O-N 2.85Å; R73-I77 HydrophobicContact CG-CD1 3.89Å; R73-I77 VanDerWaalsContact O-CG1 3.31Å; R73-I77 WeakPolarHBondContact O-CG1 3.33Å; R73-I77 PolarHBondContact O-N 2.95Å |
| 74 | K | 88.2 | Confident | 87.9 | Confident | 157 Ų | 157 | 67.1 Ų | 67.1 | 68% | 0.683 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.7 | -50.5 | -178.8 | -173.7 | -174.9 | 175.4 | -166.5 | 0 | 111.2 | Y72 M76 I77 D78 | Y72-K74 PolarHBondContact O-N 3.05Å; K74-M76 VanDerWaalsContact C-N 3.3Å; K74-M76 PolarHBondContact O-N 2.56Å; K74-I77 PolarHBondContact O-N 2.85Å; K74-I77 VanDerWaalsContact O-N 3.15Å; K74-D78 PolarHBondContact O-N 2.78Å |
| 75 | Q | 93 | Very high | 88.6 | Confident | 76 Ų | 76 | 72.3 Ų | 72.3 | 36% | 0.355 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.7 | -40.4 | 178.4 | -173.8 | -175.5 | -7.1 | 0 | 0 | 112.1 | F51 Y72 D78 W79 | F51-Q75 HydrophobicContact CE2-CB 4.49Å; F51-Q75 HydrophobicContact CE2-CG 4.04Å; F51-Q75 HydrophobicContact CZ-CB 4.2Å; F51-Q75 HydrophobicContact CZ-CG 4Å; Y72-Q75 PolarHBondContact O-N 3.37Å; Q75-D78 PolarHBondContact O-N 2.81Å; Q75-W79 VanDerWaalsContact O-CB 3.27Å; Q75-W79 WeakPolarHBondContact O-CB 3.49Å; Q75-W79 PolarHBondContact O-N 3.04Å |
| 76 | M | 92.7 | Very high | 89.7 | Confident | 19 Ų | 19 | 73.7 Ų | 73.7 | 9% | 0.094 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 176.6 | -175.3 | -170.3 | -60.6 | 0 | 0 | 112 | I47 K48 F51 L62 Y72 R73 K74 M80 | I47-M76 HydrophobicContact CG2-CG 4.12Å; I47-M76 HydrophobicContact CG2-SD 4.23Å; K48-M76 HydrophobicContact CG-CE 4.07Å; K48-M76 HydrophobicContact CG-SD 3.91Å; F51-M76 HydrophobicContact CB-CG 4.13Å; F51-M76 HydrophobicContact CD1-CB 4.06Å; F51-M76 HydrophobicContact CD1-CE 3.6Å; F51-M76 HydrophobicContact CD1-CG 3.98Å; F51-M76 HydrophobicContact CD2-CB 3.99Å; F51-M76 HydrophobicContact CD2-CG 4Å; F51-M76 HydrophobicContact CE1-CB 3.94Å; F51-M76 HydrophobicContact CE1-CE 3.97Å; F51-M76 HydrophobicContact CE1-CG 4.38Å; F51-M76 HydrophobicContact CE2-CB 3.89Å; F51-M76 HydrophobicContact CE2-CG 4.42Å; F51-M76 HydrophobicContact CG-CB 4.07Å; F51-M76 HydrophobicContact CG-CE 4.26Å; F51-M76 HydrophobicContact CG-CG 3.76Å; F51-M76 HydrophobicContact CZ-CB 3.87Å; L62-M76 HydrophobicContact CD1-CE 4.39Å; L62-M76 HydrophobicContact CD2-CE 3.82Å; Y72-M76 VanDerWaalsContact O-CB 3.31Å; Y72-M76 WeakPolarHBondContact O-CB 3.48Å; Y72-M76 PolarHBondContact O-N 3.39Å; R73-M76 PolarHBondContact O-N 2.85Å; K74-M76 VanDerWaalsContact C-N 3.3Å; K74-M76 PolarHBondContact O-N 2.56Å; M76-M80 WeakPolarHBondContact O-CB 3.19Å; M76-M80 PolarHBondContact O-N 3.23Å |
| 77 | I | 89.6 | Confident | 90.7 | Very high | 27 Ų | 27 | 73.2 Ų | 73.2 | 14% | 0.138 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.8 | -51.9 | 174.9 | -69.6 | 166.9 | 0 | 0 | 0 | 110 | R73 K74 W79 M80 E81 | R73-I77 HydrophobicContact CG-CD1 3.89Å; R73-I77 VanDerWaalsContact O-CG1 3.31Å; R73-I77 WeakPolarHBondContact O-CG1 3.33Å; R73-I77 PolarHBondContact O-N 2.95Å; K74-I77 PolarHBondContact O-N 2.85Å; K74-I77 VanDerWaalsContact O-N 3.15Å; I77-W79 VanDerWaalsContact C-N 3.32Å; I77-W79 PolarHBondContact O-N 2.95Å; I77-M80 HydrophobicContact CB-CE 4.28Å; I77-M80 HydrophobicContact CG1-CE 4.07Å; I77-M80 HydrophobicContact CG2-CE 4.38Å; I77-M80 PolarHBondContact O-N 2.78Å; I77-E81 HydrophobicContact CG2-CG 4.33Å; I77-E81 WeakPolarHBondContact O-CG 2.89Å; I77-E81 PolarHBondContact O-N 2.82Å |
| 78 | D | 92 | Very high | 91.3 | Very high | 85 Ų | 85 | 67.3 Ų | 67.3 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.5 | -45.1 | -178.6 | -67.7 | -22.4 | 0 | 0 | 0 | 111.4 | K74 Q75 E81 Q82 | K74-D78 PolarHBondContact O-N 2.78Å; Q75-D78 PolarHBondContact O-N 2.81Å; D78-E81 PolarHBondContact O-N 2.89Å; D78-Q82 WeakPolarHBondContact O-CG 3.38Å; D78-Q82 PolarHBondContact O-N 2.81Å |
| 79 | W | 94.7 | Very high | 91.9 | Very high | 25 Ų | 25 | 67.3 Ų | 67.3 | 10% | 0.095 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.1 | -49.1 | 175.9 | 173.1 | 85.6 | 0 | 0 | 0 | 112.3 | F51 H54 Y55 Q75 I77 E81 Q82 E83 F91 | F51-W79 HydrophobicContact CB-CE3 3.99Å; F51-W79 HydrophobicContact CB-CH2 4.48Å; F51-W79 HydrophobicContact CB-CZ3 3.9Å; F51-W79 HydrophobicContact CD2-CB 4.14Å; F51-W79 AromaticContact CD2-CD2 3.91Å; F51-W79 HydrophobicContact CD2-CD2 3.91Å; F51-W79 AromaticContact CD2-CE3 3.79Å; F51-W79 HydrophobicContact CD2-CE3 3.79Å; F51-W79 HydrophobicContact CD2-CG 4.06Å; F51-W79 HydrophobicContact CE2-CB 4.19Å; F51-W79 HydrophobicContact CE2-CG 4.48Å; F51-W79 HydrophobicContact CG-CE3 4.38Å; H54-W79 HydrophobicContact CB-CZ2 4.45Å; H54-W79 AromaticContact CD2-NE1 3.54Å; H54-W79 AromaticContact CG-NE1 3.87Å; H54-W79 AromaticContact NE2-NE1 3.87Å; Y55-W79 HydrophobicContact CE2-CB 4.18Å; Y55-W79 AromaticContact CE2-CD1 3.62Å; Y55-W79 HydrophobicContact CE2-CD2 4.46Å; Y55-W79 AromaticContact CE2-CG 3.83Å; Y55-W79 HydrophobicContact CE2-CG 3.83Å; Y55-W79 AromaticContact CZ-CD1 3.95Å; Q75-W79 VanDerWaalsContact O-CB 3.27Å; Q75-W79 WeakPolarHBondContact O-CB 3.49Å; Q75-W79 PolarHBondContact O-N 3.04Å; I77-W79 VanDerWaalsContact C-N 3.32Å; I77-W79 PolarHBondContact O-N 2.95Å; W79-E81 VanDerWaalsContact C-N 3.28Å; W79-E81 PolarHBondContact O-N 3.09Å; W79-Q82 WeakPolarHBondContact O-CB 3.37Å; W79-Q82 PolarHBondContact O-N 3.07Å; W79-E83 HydrophobicContact CD2-CG 4.25Å; W79-E83 HydrophobicContact CH2-CG 4.17Å; W79-E83 HydrophobicContact CZ2-CG 3.77Å; W79-E83 PolarHBondContact O-N 2.89Å; W79-E83 VanDerWaalsContact O-N 3.08Å; W79-F91 HydrophobicContact CH2-CE1 4.13Å; W79-F91 AromaticContact CH2-CZ 3.88Å; W79-F91 HydrophobicContact CH2-CZ 3.88Å; W79-F91 HydrophobicContact CZ3-CE1 4.12Å; W79-F91 AromaticContact CZ3-CZ 3.7Å; W79-F91 HydrophobicContact CZ3-CZ 3.7Å |
| 80 | M | 93.5 | Very high | 92.5 | Very high | 10 Ų | 10 | 66 Ų | 66 | 5% | 0.049 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.4 | -41.9 | 177.8 | 167.7 | -172.4 | 41.7 | 0 | 0 | 111.3 | I47 M76 I77 Q82 E83 I84 F91 R118 | I47-M80 HydrophobicContact CD1-CG 4.36Å; I47-M80 HydrophobicContact CD1-SD 3.36Å; I47-M80 WeakPolarHBondContact CD1-SD 3.21Å; I47-M80 HydrophobicContact CG1-CG 4.41Å; I47-M80 HydrophobicContact CG1-SD 3.97Å; I47-M80 HydrophobicContact CG2-CB 4.22Å; I47-M80 HydrophobicContact CG2-CG 4.27Å; I47-M80 HydrophobicContact CG2-SD 3.93Å; M76-M80 WeakPolarHBondContact O-CB 3.19Å; M76-M80 PolarHBondContact O-N 3.23Å; I77-M80 HydrophobicContact CB-CE 4.28Å; I77-M80 HydrophobicContact CG1-CE 4.07Å; I77-M80 HydrophobicContact CG2-CE 4.38Å; I77-M80 PolarHBondContact O-N 2.78Å; M80-Q82 VanDerWaalsContact C-N 3.3Å; M80-Q82 PolarHBondContact O-N 2.68Å; M80-E83 PolarHBondContact O-N 3.34Å; M80-I84 HydrophobicContact CG-CD1 3.72Å; M80-I84 HydrophobicContact CG-CG1 4.35Å; M80-I84 VanDerWaalsContact O-CG1 3.31Å; M80-I84 WeakPolarHBondContact O-CG1 3.42Å; M80-I84 PolarHBondContact O-N 2.89Å; M80-I84 HydrophobicContact SD-CD1 4.31Å; M80-F91 HydrophobicContact CB-CE2 4.29Å; M80-F91 HydrophobicContact CG-CD2 4.13Å; M80-F91 HydrophobicContact CG-CE2 3.67Å; M80-F91 HydrophobicContact CG-CZ 4.38Å; M80-R118 PolarHBondContact SD-NH2 3.35Å |
| 81 | E | 92.1 | Very high | 93.2 | Very high | 49 Ų | 49 | 62.5 Ų | 62.5 | 23% | 0.229 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.1 | -34.2 | 177.7 | -68.8 | -59.8 | 147 | 0 | 0 | 111.9 | I77 D78 W79 K85 R118 | I77-E81 HydrophobicContact CG2-CG 4.33Å; I77-E81 WeakPolarHBondContact O-CG 2.89Å; I77-E81 PolarHBondContact O-N 2.82Å; D78-E81 PolarHBondContact O-N 2.89Å; W79-E81 VanDerWaalsContact C-N 3.28Å; W79-E81 PolarHBondContact O-N 3.09Å; E81-K85 WeakPolarHBondContact O-CG 3.45Å; E81-K85 PolarHBondContact O-N 2.84Å; E81-R118 IonicContact OE1-CZ 3.82Å; E81-R118 VanDerWaalsContact OE1-CZ 3.27Å; E81-R118 IonicContact OE1-NE 3.58Å; E81-R118 PolarHBondContact OE1-NE 2.87Å; E81-R118 IonicContact OE1-NH2 2.79Å; E81-R118 PolarHBondContact OE1-NH2 2.91Å |
| 82 | Q | 94.6 | Very high | 93.6 | Very high | 98 Ų | 98 | 55.4 Ų | 55.4 | 46% | 0.458 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.4 | -38 | 173.2 | -60.8 | -57.9 | -23.7 | 0 | 0 | 112.4 | D78 W79 M80 K85 K86 | D78-Q82 WeakPolarHBondContact O-CG 3.38Å; D78-Q82 PolarHBondContact O-N 2.81Å; W79-Q82 WeakPolarHBondContact O-CB 3.37Å; W79-Q82 PolarHBondContact O-N 3.07Å; M80-Q82 VanDerWaalsContact C-N 3.3Å; M80-Q82 PolarHBondContact O-N 2.68Å; Q82-K85 PolarHBondContact O-N 3.28Å; Q82-K86 PolarHBondContact O-N 3.47Å |
| 83 | E | 95.3 | Very high | 93.9 | Very high | 40 Ų | 40 | 58.4 Ų | 58.4 | 19% | 0.187 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.9 | -39.8 | 175.4 | -65.5 | -55.3 | 109.6 | 0 | 0 | 111.7 | W79 M80 K85 K86 D87 F91 | W79-E83 HydrophobicContact CD2-CG 4.25Å; W79-E83 HydrophobicContact CH2-CG 4.17Å; W79-E83 HydrophobicContact CZ2-CG 3.77Å; W79-E83 PolarHBondContact O-N 2.89Å; W79-E83 VanDerWaalsContact O-N 3.08Å; M80-E83 PolarHBondContact O-N 3.34Å; E83-K85 VanDerWaalsContact C-N 3.32Å; E83-K85 PolarHBondContact O-N 3.45Å; E83-K86 WeakPolarHBondContact O-CB 3.48Å; E83-K86 PolarHBondContact O-N 2.88Å; E83-K86 VanDerWaalsContact O-N 3.12Å; E83-K86 IonicContact OE1-NZ 3.98Å; E83-K86 PolarHBondContact OE1-NZ 3.45Å; E83-D87 PolarHBondContact O-N 3.31Å; E83-F91 HydrophobicContact CB-CE2 4.01Å; E83-F91 HydrophobicContact CB-CZ 3.99Å; E83-F91 HydrophobicContact CG-CZ 4.48Å |
| 84 | I | 93.2 | Very high | 94.3 | Very high | 16 Ų | 16 | 59.1 Ų | 59.1 | 8% | 0.082 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.2 | -34.9 | 175.9 | -71.9 | 172.2 | 0 | 0 | 0 | 111.8 | M80 K86 D87 P88 F91 | M80-I84 HydrophobicContact CG-CD1 3.72Å; M80-I84 HydrophobicContact CG-CG1 4.35Å; M80-I84 VanDerWaalsContact O-CG1 3.31Å; M80-I84 WeakPolarHBondContact O-CG1 3.42Å; M80-I84 PolarHBondContact O-N 2.89Å; M80-I84 HydrophobicContact SD-CD1 4.31Å; I84-K86 PolarHBondContact O-N 3.28Å; I84-D87 CarbonylContact O-C 3.56Å; I84-D87 PolarHBondContact O-N 2.83Å; I84-P88 WeakPolarHBondContact O-CA 3.3Å; I84-P88 VanDerWaalsContact O-N 3.14Å; I84-F91 HydrophobicContact CD1-CD2 4.29Å; I84-F91 HydrophobicContact CG1-CD2 3.96Å; I84-F91 HydrophobicContact CG1-CE2 4.03Å |
| 85 | K | 94.5 | Very high | 94.6 | Very high | 151 Ų | 151 | 51.7 Ų | 51.7 | 66% | 0.657 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62.4 | -32.8 | 173.9 | -76.5 | 173.1 | -171.8 | 173.9 | 0 | 112.8 | E81 Q82 E83 | E81-K85 WeakPolarHBondContact O-CG 3.45Å; E81-K85 PolarHBondContact O-N 2.84Å; Q82-K85 PolarHBondContact O-N 3.28Å; E83-K85 VanDerWaalsContact C-N 3.32Å; E83-K85 PolarHBondContact O-N 3.45Å |
| 86 | K | 96.6 | Very high | 94.7 | Very high | 151 Ų | 151 | 48.2 Ų | 48.2 | 66% | 0.657 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -78.3 | -40.7 | 177 | -61.2 | 168.9 | -171.8 | 167.4 | 0 | 111.1 | Q82 E83 I84 | Q82-K86 PolarHBondContact O-N 3.47Å; E83-K86 WeakPolarHBondContact O-CB 3.48Å; E83-K86 PolarHBondContact O-N 2.88Å; E83-K86 VanDerWaalsContact O-N 3.12Å; E83-K86 IonicContact OE1-NZ 3.98Å; E83-K86 PolarHBondContact OE1-NZ 3.45Å; I84-K86 PolarHBondContact O-N 3.28Å |
| 87 | D | 96.8 | Very high | 94.7 | Very high | 39 Ų | 39 | 51 Ų | 51 | 21% | 0.209 | 24% | 0.238 | C | C | . | . | trans | -146.9 | 104.7 | 179.9 | 176.4 | -1.2 | 0 | 0 | 0 | 110.5 | E83 I84 Y89 I90 R93 | E83-D87 PolarHBondContact O-N 3.31Å; I84-D87 CarbonylContact O-C 3.56Å; I84-D87 PolarHBondContact O-N 2.83Å; D87-Y89 PolarHBondContact O-N 3.4Å; D87-Y89 PolarHBondContact OD1-N 3.06Å; D87-I90 HydrophobicContact CB-CB 4.02Å; D87-I90 WeakPolarHBondContact O-CG2 3.49Å; D87-I90 PolarHBondContact O-N 3.02Å; D87-I90 PolarHBondContact OD1-N 3.35Å; D87-R93 VanDerWaalsContact CG-NH1 3.25Å; D87-R93 IonicContact OD1-CZ 3.28Å; D87-R93 IonicContact OD1-NH1 3.86Å; D87-R93 PolarHBondContact OD1-NH1 2.88Å; D87-R93 IonicContact OD2-CZ 2.84Å; D87-R93 IonicContact OD2-NH1 2.68Å; D87-R93 PolarHBondContact OD2-NH1 3.39Å; D87-R93 IonicContact OD2-NH2 3.79Å; D87-R93 PolarHBondContact OD2-NH2 3.02Å | ||
| 88 | P | 95.5 | Very high | 94.9 | Very high | 52 Ų | 52 | 52.8 Ų | 52.8 | 34% | 0.338 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -13.7 | -173.5 | 25.7 | -34.7 | 0 | 0 | 0 | 113.9 | I84 N120 | I84-P88 WeakPolarHBondContact O-CA 3.3Å; I84-P88 VanDerWaalsContact O-N 3.14Å; P88-N120 HydrophobicContact CB-CB 4.45Å; P88-N120 WeakPolarHBondContact CB-ND2 3.49Å |
| 89 | Y | 96.6 | Very high | 95 | Very high | 58 Ų | 58 | 49 Ų | 49 | 23% | 0.227 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | 9.4 | -175 | -49.9 | -46.4 | 0 | 0 | 0 | 113.3 | D87 F91 T92 R93 N120 D123 Y124 | D87-Y89 PolarHBondContact O-N 3.4Å; D87-Y89 PolarHBondContact OD1-N 3.06Å; Y89-F91 PolarHBondContact O-N 2.96Å; Y89-T92 WeakPolarHBondContact CA-OG1 3.19Å; Y89-T92 PolarHBondContact O-N 3.44Å; Y89-T92 PolarHBondContact O-OG1 2.83Å; Y89-T92 VanDerWaalsContact O-OG1 3.05Å; Y89-R93 WeakPolarHBondContact O-CB 3.32Å; Y89-R93 VanDerWaalsContact O-CG 3.31Å; Y89-R93 WeakPolarHBondContact O-CG 3.36Å; Y89-R93 PolarHBondContact O-N 2.86Å; Y89-N120 HydrophobicContact CE1-CB 4.41Å; Y89-D123 WeakPolarHBondContact CE1-OD2 3.48Å; Y89-D123 PolarHBondContact OH-OD2 3.12Å; Y89-Y124 HydrophobicContact CD1-CD2 4Å; Y89-Y124 HydrophobicContact CD1-CG 4.23Å; Y89-Y124 HydrophobicContact CD2-CD2 4.27Å; Y89-Y124 AromaticContact CG-CD2 3.72Å; Y89-Y124 HydrophobicContact CG-CD2 3.72Å; Y89-Y124 HydrophobicContact CG-CG 4.37Å |
| 90 | I | 95.9 | Very high | 94.8 | Very high | 26 Ų | 26 | 50 Ų | 50 | 13% | 0.133 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.9 | -48.1 | -174.5 | -172.5 | 171.2 | 0 | 0 | 0 | 112.4 | D87 K94 | D87-I90 HydrophobicContact CB-CB 4.02Å; D87-I90 WeakPolarHBondContact O-CG2 3.49Å; D87-I90 PolarHBondContact O-N 3.02Å; D87-I90 PolarHBondContact OD1-N 3.35Å; I90-K94 HydrophobicContact CG1-CD 4.11Å; I90-K94 WeakPolarHBondContact O-CB 3.31Å; I90-K94 VanDerWaalsContact O-CG 3.23Å; I90-K94 WeakPolarHBondContact O-CG 3.49Å; I90-K94 PolarHBondContact O-N 3.28Å; I90-K94 VanDerWaalsContact O-N 3.14Å |
| 91 | F | 96.2 | Very high | 94.7 | Very high | 7 Ų | 7 | 58.3 Ų | 58.3 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -78.3 | -34.4 | -175.3 | -62.4 | -63.8 | 0 | 0 | 0 | 113 | I43 I47 W79 M80 E83 I84 Y89 K94 S95 | I43-F91 HydrophobicContact CG2-CB 4.02Å; I47-F91 HydrophobicContact CB-CD1 4.27Å; I47-F91 HydrophobicContact CB-CE1 4.35Å; I47-F91 HydrophobicContact CD1-CB 4.31Å; I47-F91 HydrophobicContact CD1-CD2 4.39Å; I47-F91 HydrophobicContact CD1-CG 4.19Å; I47-F91 HydrophobicContact CG1-CB 3.91Å; I47-F91 HydrophobicContact CG1-CD1 3.43Å; I47-F91 VanDerWaalsContact CG1-CD1 3.43Å; I47-F91 HydrophobicContact CG1-CD2 3.82Å; I47-F91 HydrophobicContact CG1-CE1 3.85Å; I47-F91 HydrophobicContact CG1-CE2 4.21Å; I47-F91 HydrophobicContact CG1-CG 3.42Å; I47-F91 VanDerWaalsContact CG1-CG 3.42Å; I47-F91 HydrophobicContact CG1-CZ 4.22Å; W79-F91 HydrophobicContact CH2-CE1 4.13Å; W79-F91 AromaticContact CH2-CZ 3.88Å; W79-F91 HydrophobicContact CH2-CZ 3.88Å; W79-F91 HydrophobicContact CZ3-CE1 4.12Å; W79-F91 AromaticContact CZ3-CZ 3.7Å; W79-F91 HydrophobicContact CZ3-CZ 3.7Å; M80-F91 HydrophobicContact CB-CE2 4.29Å; M80-F91 HydrophobicContact CG-CD2 4.13Å; M80-F91 HydrophobicContact CG-CE2 3.67Å; M80-F91 HydrophobicContact CG-CZ 4.38Å; E83-F91 HydrophobicContact CB-CE2 4.01Å; E83-F91 HydrophobicContact CB-CZ 3.99Å; E83-F91 HydrophobicContact CG-CZ 4.48Å; I84-F91 HydrophobicContact CD1-CD2 4.29Å; I84-F91 HydrophobicContact CG1-CD2 3.96Å; I84-F91 HydrophobicContact CG1-CE2 4.03Å; Y89-F91 PolarHBondContact O-N 2.96Å; F91-K94 PolarHBondContact O-N 2.98Å; F91-S95 VanDerWaalsContact O-CB 3.28Å; F91-S95 WeakPolarHBondContact O-CB 3.49Å; F91-S95 PolarHBondContact O-N 3.41Å; F91-S95 PolarHBondContact O-OG 2.72Å |
| 92 | T | 97.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.1 | -41.2 | 175.9 | 51.4 | 0 | 0 | 0 | 0 | 112.5 | I43 Y89 S95 L96 D121 Y124 F125 | I43-T92 HydrophobicContact CD1-CG2 4.09Å; I43-T92 HydrophobicContact CG1-CG2 4.35Å; I43-T92 HydrophobicContact CG2-CG2 4.43Å; Y89-T92 WeakPolarHBondContact CA-OG1 3.19Å; Y89-T92 PolarHBondContact O-N 3.44Å; Y89-T92 PolarHBondContact O-OG1 2.83Å; Y89-T92 VanDerWaalsContact O-OG1 3.05Å; T92-S95 WeakPolarHBondContact CA-OG 3.31Å; T92-S95 PolarHBondContact O-OG 3.12Å; T92-L96 WeakPolarHBondContact O-CB 3.5Å; T92-L96 PolarHBondContact O-N 3.14Å; T92-L96 VanDerWaalsContact O-N 3.14Å; T92-D121 HydrophobicContact CG2-CB 4.09Å; T92-Y124 HydrophobicContact CG2-CD1 4.24Å; T92-Y124 VanDerWaalsContact OG1-CD1 3.28Å; T92-Y124 WeakPolarHBondContact OG1-CD1 3.46Å; T92-F125 HydrophobicContact CG2-CE2 3.75Å; T92-F125 HydrophobicContact CG2-CZ 3.92Å |
| 93 | R | 95.7 | Very high | 94.1 | Very high | 100 Ų | 100 | 61.7 Ų | 61.7 | 38% | 0.377 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.1 | -48.1 | 171.8 | -74.2 | -161.6 | -37.8 | -85.2 | -3.2 | 111.1 | D87 Y89 L97 Y124 | D87-R93 VanDerWaalsContact CG-NH1 3.25Å; D87-R93 IonicContact OD1-CZ 3.28Å; D87-R93 IonicContact OD1-NH1 3.86Å; D87-R93 PolarHBondContact OD1-NH1 2.88Å; D87-R93 IonicContact OD2-CZ 2.84Å; D87-R93 IonicContact OD2-NH1 2.68Å; D87-R93 PolarHBondContact OD2-NH1 3.39Å; D87-R93 IonicContact OD2-NH2 3.79Å; D87-R93 PolarHBondContact OD2-NH2 3.02Å; Y89-R93 WeakPolarHBondContact O-CB 3.32Å; Y89-R93 VanDerWaalsContact O-CG 3.31Å; Y89-R93 WeakPolarHBondContact O-CG 3.36Å; Y89-R93 PolarHBondContact O-N 2.86Å; R93-L97 WeakPolarHBondContact O-CB 3.32Å; R93-L97 PolarHBondContact O-N 3.32Å; R93-L97 VanDerWaalsContact O-N 3.08Å; R93-Y124 HydrophobicContact CB-CE2 4.46Å; R93-Y124 HydrophobicContact CG-CD2 4.22Å; R93-Y124 HydrophobicContact CG-CE1 4.49Å; R93-Y124 HydrophobicContact CG-CE2 3.29Å; R93-Y124 VanDerWaalsContact CG-CZ 3.47Å; R93-Y124 WeakPolarHBondContact CG-OH 3.38Å |
| 94 | K | 95.8 | Very high | 93.5 | Very high | 54 Ų | 54 | 62.9 Ų | 62.9 | 24% | 0.235 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.4 | -46.8 | -179.1 | -76.3 | 174.8 | -179.9 | -65.2 | 0 | 112 | P46 Y50 I90 F91 L96 L97 E98 | P46-K94 HydrophobicContact CB-CB 4.1Å; P46-K94 HydrophobicContact CG-CB 4.43Å; Y50-K94 HydrophobicContact CD1-CD 4.38Å; Y50-K94 HydrophobicContact CE1-CD 3.64Å; Y50-K94 HydrophobicContact CE2-CD 4.11Å; Y50-K94 VanDerWaalsContact CZ-CD 3.49Å; Y50-K94 VanDerWaalsContact CZ-NZ 3.31Å; Y50-K94 WeakPolarHBondContact OH-CD 3.35Å; Y50-K94 WeakPolarHBondContact OH-CE 3.44Å; Y50-K94 PolarHBondContact OH-NZ 3.08Å; I90-K94 HydrophobicContact CG1-CD 4.11Å; I90-K94 WeakPolarHBondContact O-CB 3.31Å; I90-K94 VanDerWaalsContact O-CG 3.23Å; I90-K94 WeakPolarHBondContact O-CG 3.49Å; I90-K94 PolarHBondContact O-N 3.28Å; I90-K94 VanDerWaalsContact O-N 3.14Å; F91-K94 PolarHBondContact O-N 2.98Å; K94-L96 VanDerWaalsContact C-N 3.3Å; K94-L96 PolarHBondContact O-N 3.36Å; K94-L97 PolarHBondContact O-N 3.04Å; K94-E98 WeakPolarHBondContact O-CB 3.45Å; K94-E98 WeakPolarHBondContact O-CG 3.33Å; K94-E98 PolarHBondContact O-N 3.05Å |
| 95 | S | 96.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.007 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.6 | -44.7 | -179.8 | 64.9 | 0 | 0 | 0 | 0 | 111.1 | V41 F91 T92 S99 | V41-S95 WeakPolarHBondContact CG1-OG 3.42Å; F91-S95 VanDerWaalsContact O-CB 3.28Å; F91-S95 WeakPolarHBondContact O-CB 3.49Å; F91-S95 PolarHBondContact O-N 3.41Å; F91-S95 PolarHBondContact O-OG 2.72Å; T92-S95 WeakPolarHBondContact CA-OG 3.31Å; T92-S95 PolarHBondContact O-OG 3.12Å; S95-S99 WeakPolarHBondContact O-CB 3.34Å; S95-S99 PolarHBondContact O-N 2.93Å; S95-S99 PolarHBondContact O-OG 3.14Å; S95-S99 VanDerWaalsContact O-OG 3.13Å |
| 96 | L | 94.7 | Very high | 92.1 | Very high | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.9 | -46.2 | 178.8 | -178 | 56.5 | 0 | 0 | 0 | 111.9 | I2 V41 T92 K94 T100 I111 Y124 F125 T128 F129 | I2-L96 HydrophobicContact CD1-CD2 3.4Å; I2-L96 HydrophobicContact CD1-CG 3.97Å; V41-L96 HydrophobicContact CG2-CD1 4.27Å; T92-L96 WeakPolarHBondContact O-CB 3.5Å; T92-L96 PolarHBondContact O-N 3.14Å; T92-L96 VanDerWaalsContact O-N 3.14Å; K94-L96 VanDerWaalsContact C-N 3.3Å; K94-L96 PolarHBondContact O-N 3.36Å; L96-T100 WeakPolarHBondContact O-CB 3.41Å; L96-T100 PolarHBondContact O-N 2.86Å; L96-T100 PolarHBondContact O-OG1 2.83Å; L96-I111 HydrophobicContact CD1-CD1 4.13Å; L96-I111 HydrophobicContact CD1-CG2 4.04Å; L96-Y124 HydrophobicContact CD2-CE1 4.36Å; L96-F125 HydrophobicContact CD2-CE1 4.46Å; L96-T128 HydrophobicContact CD2-CG2 4.08Å; L96-F129 HydrophobicContact CD1-CZ 4.31Å; L96-F129 HydrophobicContact CD2-CE2 4.08Å; L96-F129 HydrophobicContact CD2-CZ 4.07Å |
| 97 | L | 92.9 | Very high | 91.6 | Very high | 77 Ų | 77 | 60.9 Ų | 60.9 | 40% | 0.403 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.3 | -48.2 | 179.9 | -179.6 | 63.6 | 0 | 0 | 0 | 112.2 | R93 K94 T100 R101 | R93-L97 WeakPolarHBondContact O-CB 3.32Å; R93-L97 PolarHBondContact O-N 3.32Å; R93-L97 VanDerWaalsContact O-N 3.08Å; K94-L97 PolarHBondContact O-N 3.04Å; L97-T100 PolarHBondContact O-N 2.96Å; L97-R101 VanDerWaalsContact O-CG 3.31Å; L97-R101 WeakPolarHBondContact O-CG 3.18Å; L97-R101 PolarHBondContact O-N 3.34Å |
| 98 | E | 93.3 | Very high | 91.4 | Very high | 65 Ų | 65 | 59.2 Ų | 59.2 | 30% | 0.304 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.9 | -42.1 | -177.2 | -69.1 | 174.9 | -171.6 | 0 | 0 | 111.6 | Y50 K94 T100 R101 R102 | Y50-E98 PolarHBondContact OH-OE1 3.49Å; K94-E98 WeakPolarHBondContact O-CB 3.45Å; K94-E98 WeakPolarHBondContact O-CG 3.33Å; K94-E98 PolarHBondContact O-N 3.05Å; E98-T100 VanDerWaalsContact C-N 3.34Å; E98-T100 PolarHBondContact O-N 3.44Å; E98-R101 PolarHBondContact O-N 3.05Å; E98-R102 WeakPolarHBondContact O-CB 3.27Å; E98-R102 PolarHBondContact O-N 2.7Å |
| 99 | S | 93.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 58.5 Ų | 58.5 | 3% | 0.028 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61 | -42.7 | 173.8 | -75.8 | 0 | 0 | 0 | 0 | 111.9 | S95 R102 C103 | S95-S99 WeakPolarHBondContact O-CB 3.34Å; S95-S99 PolarHBondContact O-N 2.93Å; S95-S99 PolarHBondContact O-OG 3.14Å; S95-S99 VanDerWaalsContact O-OG 3.13Å; S99-R102 PolarHBondContact O-N 2.87Å; S99-C103 VanDerWaalsContact O-CB 3.26Å; S99-C103 WeakPolarHBondContact O-CB 3.47Å; S99-C103 PolarHBondContact O-N 3.01Å |
| 100 | T | 91.3 | Very high | 91.4 | Very high | 47 Ų | 47 | 55.8 Ų | 55.8 | 29% | 0.288 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 178.6 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | L96 L97 E98 R102 C103 | L96-T100 WeakPolarHBondContact O-CB 3.41Å; L96-T100 PolarHBondContact O-N 2.86Å; L96-T100 PolarHBondContact O-OG1 2.83Å; L97-T100 PolarHBondContact O-N 2.96Å; E98-T100 VanDerWaalsContact C-N 3.34Å; E98-T100 PolarHBondContact O-N 3.44Å; T100-R102 PolarHBondContact O-N 2.89Å; T100-C103 PolarHBondContact O-N 3.05Å |
| 101 | R | 90.6 | Very high | 91.5 | Very high | 185 Ų | 185 | 54.9 Ų | 54.9 | 70% | 0.698 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.9 | -41.3 | 176.6 | -75.2 | 172.8 | 176.9 | 173.9 | -2.5 | 112.7 | L97 E98 | L97-R101 VanDerWaalsContact O-CG 3.31Å; L97-R101 WeakPolarHBondContact O-CG 3.18Å; L97-R101 PolarHBondContact O-N 3.34Å; E98-R101 PolarHBondContact O-N 3.05Å |
| 102 | R | 90.2 | Very high | 91.5 | Very high | 171 Ų | 171 | 54.5 Ų | 54.5 | 65% | 0.645 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -75.8 | -33.9 | -178.2 | 179 | 169.6 | 50.1 | 151 | -5.1 | 113.3 | E45 E98 S99 T100 G104 | E45-R102 IonicContact OE1-NH2 3.2Å; E45-R102 IonicContact OE2-CZ 3.61Å; E45-R102 IonicContact OE2-NH1 2.77Å; E45-R102 IonicContact OE2-NH2 2.72Å; E45-R102 PolarHBondContact OE2-NH2 3.47Å; E98-R102 WeakPolarHBondContact O-CB 3.27Å; E98-R102 PolarHBondContact O-N 2.7Å; S99-R102 PolarHBondContact O-N 2.87Å; T100-R102 PolarHBondContact O-N 2.89Å; R102-G104 VanDerWaalsContact C-N 3.3Å; R102-G104 PolarHBondContact O-N 2.9Å |
| 103 | C | 84.3 | Confident | 91.6 | Very high | 47 Ų | 47 | 54.4 Ų | 54.4 | 32% | 0.318 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70.6 | -27 | -174.1 | -174.3 | 0 | 0 | 0 | 0 | 113.1 | L39 S99 T100 I105 | L39-C103 HydrophobicContact CD1-CB 3.53Å; L39-C103 HydrophobicContact CD2-CB 4.41Å; L39-C103 HydrophobicContact CG-CB 4.49Å; S99-C103 VanDerWaalsContact O-CB 3.26Å; S99-C103 WeakPolarHBondContact O-CB 3.47Å; S99-C103 PolarHBondContact O-N 3.01Å; T100-C103 PolarHBondContact O-N 3.05Å; C103-I105 PolarHBondContact O-N 3.33Å; C103-I105 VanDerWaalsContact SG-CD1 3.53Å; C103-I105 VanDerWaalsContact SG-CG1 3.56Å |
| 104 | G | 81.8 | Confident | 91.7 | Very high | 64 Ų | 64 | 49.7 Ų | 49.7 | 66% | 0.66 | 26% | 0.255 | S | S | * | . | trans | 68.8 | -1.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R102 P106 | R102-G104 VanDerWaalsContact C-N 3.3Å; R102-G104 PolarHBondContact O-N 2.9Å; G104-P106 VanDerWaalsContact O-CD 3.32Å; G104-P106 WeakPolarHBondContact O-CD 3.26Å | ||
| 105 | I | 81.2 | Confident | 91.6 | Very high | 57 Ų | 57 | 47.4 Ų | 47.4 | 29% | 0.292 | 25% | 0.246 | S | C | . | . | trans | -88.6 | 109.8 | 171.4 | -55.3 | 176.9 | 0 | 0 | 0 | 107.5 | C103 H107 P108 | C103-I105 PolarHBondContact O-N 3.33Å; C103-I105 VanDerWaalsContact SG-CD1 3.53Å; C103-I105 VanDerWaalsContact SG-CG1 3.56Å; I105-H107 VanDerWaalsContact C-N 3.3Å; I105-H107 PolarHBondContact O-N 2.72Å; I105-P108 HydrophobicContact CG2-CB 4.06Å | ||
| 106 | P | 77.5 | Confident | 91.7 | Very high | 98 Ų | 98 | 47.4 Ų | 47.4 | 64% | 0.636 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -65.9 | -34.2 | -176.7 | -21.5 | 34.5 | 0 | 0 | 0 | 112.8 | G104 | G104-P106 VanDerWaalsContact O-CD 3.32Å; G104-P106 WeakPolarHBondContact O-CD 3.26Å |
| 107 | H | 86.4 | Confident | 91.7 | Very high | 121 Ų | 121 | 50.2 Ų | 50.2 | 56% | 0.56 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -138.9 | 79.4 | -176.5 | -56.3 | -63.2 | 0 | 0 | 0 | 110.5 | I105 | I105-H107 VanDerWaalsContact C-N 3.3Å; I105-H107 PolarHBondContact O-N 2.72Å |
| 108 | P | 93.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | trans | -64.3 | 146.7 | 175.2 | 28.1 | -34.6 | 0 | 0 | 0 | 110.3 | S7 L39 I105 I110 I111 | S7-P108 VanDerWaalsContact CB-O 3.31Å; S7-P108 WeakPolarHBondContact CB-O 3.42Å; S7-P108 PolarHBondContact OG-O 2.98Å; L39-P108 HydrophobicContact CB-CB 4.02Å; L39-P108 HydrophobicContact CB-CG 3.89Å; L39-P108 HydrophobicContact CD2-CG 4.42Å; I105-P108 HydrophobicContact CG2-CB 4.06Å; P108-I110 PolarHBondContact O-N 3.41Å; P108-I111 HydrophobicContact CG-CD1 4.05Å; P108-I111 HydrophobicContact CG-CG1 3.69Å | ||
| 109 | D | 94.9 | Very high | 91.8 | Very high | 38 Ų | 38 | 49.1 Ų | 49.1 | 20% | 0.203 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -65.6 | -33.1 | 177.5 | -58.7 | -65 | 0 | 0 | 0 | 111.3 | S7 V8 L36 S37 R200 | S7-D109 WeakPolarHBondContact CA-O 3.45Å; V8-D109 PolarHBondContact N-O 3.25Å; V8-D109 VanDerWaalsContact N-O 3.08Å; L36-D109 HydrophobicContact CD2-CB 4.49Å; S37-D109 WeakPolarHBondContact CB-OD2 3.4Å; S37-D109 PolarHBondContact N-OD2 2.76Å; S37-D109 WeakPolarHBondContact O-CB 3.39Å; S37-D109 PolarHBondContact O-N 2.91Å; S37-D109 VanDerWaalsContact O-N 3.09Å; S37-D109 VanDerWaalsContact OG-CG 3.25Å; S37-D109 PolarHBondContact OG-N 2.97Å; S37-D109 PolarHBondContact OG-OD2 3.4Å; D109-R200 IonicContact OD1-CZ 2.86Å; D109-R200 IonicContact OD1-NE 3.94Å; D109-R200 IonicContact OD1-NH1 2.64Å; D109-R200 PolarHBondContact OD1-NH1 3.44Å; D109-R200 IonicContact OD1-NH2 2.93Å; D109-R200 PolarHBondContact OD1-NH2 2.68Å; D109-R200 IonicContact OD2-NH1 3.03Å |
| 110 | I | 96.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 137.9 | 179.8 | -58.6 | 97 | 0 | 0 | 0 | 111.2 | V8 V10 L31 L36 S37 C38 L39 P108 I112 I196 | V8-I110 HydrophobicContact CB-CG1 4.48Å; V8-I110 CarbonylContact O-C 3.48Å; V8-I110 VanDerWaalsContact O-CA 3.31Å; V8-I110 WeakPolarHBondContact O-CA 3.39Å; V8-I110 WeakPolarHBondContact O-CG2 3.15Å; V10-I110 HydrophobicContact CB-CG2 4.49Å; V10-I110 HydrophobicContact CG2-CG2 3.71Å; L31-I110 HydrophobicContact CD1-CD1 4.38Å; L31-I110 HydrophobicContact CD1-CG2 4.41Å; L31-I110 HydrophobicContact CD2-CD1 4.12Å; L36-I110 HydrophobicContact CB-CD1 3.59Å; L36-I110 HydrophobicContact CD1-CD1 4.13Å; L36-I110 HydrophobicContact CD2-CD1 4.39Å; L36-I110 HydrophobicContact CG-CD1 4.26Å; S37-I110 PolarHBondContact O-N 2.95Å; C38-I110 CarbonylContact C-O 3.55Å; C38-I110 WeakPolarHBondContact CA-O 3.46Å; C38-I110 HydrophobicContact CB-CB 4Å; L39-I110 PolarHBondContact N-O 2.76Å; P108-I110 PolarHBondContact O-N 3.41Å; I110-I112 HydrophobicContact CG2-CD1 4.44Å; I110-I112 HydrophobicContact CG2-CG1 3.72Å; I110-I196 HydrophobicContact CD1-CG2 3.94Å; I110-I196 HydrophobicContact CG1-CG2 3.63Å |
| 111 | I | 96.9 | Very high | 92.1 | Very high | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.036 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 117.2 | 168.7 | -66.8 | 177.6 | 0 | 0 | 0 | 108.4 | V8 C9 V10 L39 V41 L96 P108 I113 F129 | V8-I111 PolarHBondContact O-N 2.97Å; C9-I111 CarbonylContact C-O 3.5Å; C9-I111 WeakPolarHBondContact CA-O 3.31Å; V10-I111 PolarHBondContact N-O 3.39Å; L39-I111 HydrophobicContact CB-CG1 4.45Å; V41-I111 HydrophobicContact CG2-CG2 3.84Å; L96-I111 HydrophobicContact CD1-CD1 4.13Å; L96-I111 HydrophobicContact CD1-CG2 4.04Å; P108-I111 HydrophobicContact CG-CD1 4.05Å; P108-I111 HydrophobicContact CG-CG1 3.69Å; I111-I113 HydrophobicContact CG2-CD1 3.88Å; I111-F129 HydrophobicContact CB-CZ 4.27Å; I111-F129 HydrophobicContact CD1-CE1 3.69Å; I111-F129 HydrophobicContact CD1-CZ 3.55Å; I111-F129 HydrophobicContact CG1-CZ 4.46Å; I111-F129 HydrophobicContact CG2-CZ 4.22Å |
| 112 | I | 98.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 111.4 | -176.9 | -55.7 | 178.5 | 0 | 0 | 0 | 109.2 | V10 F12 V24 L31 C38 L39 V40 V41 I110 S114 | V10-I112 HydrophobicContact CB-CG1 4.48Å; V10-I112 CarbonylContact O-C 3.5Å; V10-I112 WeakPolarHBondContact O-CA 2.99Å; F12-I112 HydrophobicContact CD2-CG2 3.74Å; F12-I112 HydrophobicContact CE2-CG2 3.85Å; V24-I112 HydrophobicContact CG1-CG2 4.11Å; L31-I112 HydrophobicContact CD1-CD1 3.84Å; C38-I112 HydrophobicContact CB-CD1 4.19Å; L39-I112 PolarHBondContact O-N 3.03Å; V40-I112 CarbonylContact C-O 3.56Å; V40-I112 WeakPolarHBondContact CA-O 3.14Å; V40-I112 HydrophobicContact CG2-CB 4.4Å; V41-I112 PolarHBondContact N-O 2.92Å; I110-I112 HydrophobicContact CG2-CD1 4.44Å; I110-I112 HydrophobicContact CG2-CG1 3.72Å; I112-S114 PolarHBondContact O-N 3.48Å |
| 113 | I | 98.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 106.4 | 170.2 | -46.4 | -51.7 | 0 | 0 | 0 | 107.2 | V10 V11 F12 V41 I43 I111 F125 | V10-I113 PolarHBondContact O-N 2.92Å; V11-I113 HydrophobicContact CB-CB 4.42Å; V11-I113 HydrophobicContact CG1-CB 4.21Å; V11-I113 HydrophobicContact CG1-CG2 4.43Å; V11-I113 HydrophobicContact CG2-CB 4.27Å; V11-I113 HydrophobicContact CG2-CG1 4.03Å; F12-I113 WeakPolarHBondContact CB-O 3.43Å; F12-I113 PolarHBondContact N-O 3.19Å; V41-I113 HydrophobicContact CB-CD1 3.69Å; V41-I113 HydrophobicContact CG1-CD1 4.07Å; V41-I113 HydrophobicContact CG2-CD1 4.03Å; I43-I113 HydrophobicContact CD1-CG2 3.73Å; I43-I113 HydrophobicContact CG1-CG2 4.02Å; I111-I113 HydrophobicContact CG2-CD1 3.88Å; I113-F125 HydrophobicContact CB-CD2 4.35Å; I113-F125 HydrophobicContact CB-CE2 4.14Å; I113-F125 HydrophobicContact CB-CZ 4.45Å; I113-F125 HydrophobicContact CD1-CD1 3.78Å; I113-F125 HydrophobicContact CD1-CD2 4.3Å; I113-F125 HydrophobicContact CD1-CE1 3.34Å; I113-F125 HydrophobicContact CD1-CE2 3.96Å; I113-F125 HydrophobicContact CD1-CG 4.25Å; I113-F125 HydrophobicContact CD1-CZ 3.45Å; I113-F125 VanDerWaalsContact CD1-CZ 3.45Å; I113-F125 HydrophobicContact CG1-CD1 3.89Å; I113-F125 HydrophobicContact CG1-CD2 3.69Å; I113-F125 HydrophobicContact CG1-CE1 3.83Å; I113-F125 HydrophobicContact CG1-CE2 3.68Å; I113-F125 HydrophobicContact CG1-CG 3.83Å; I113-F125 HydrophobicContact CG1-CZ 3.74Å; I113-F125 HydrophobicContact CG2-CD2 4.05Å; I113-F125 HydrophobicContact CG2-CE2 3.46Å; I113-F125 VanDerWaalsContact CG2-CE2 3.46Å; I113-F125 HydrophobicContact CG2-CZ 3.89Å |
| 114 | S | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -81.3 | -19.1 | -167.9 | 62.1 | 0 | 0 | 0 | 0 | 114.6 | K20 V41 R42 I112 | K20-S114 WeakPolarHBondContact CD-O 3.4Å; K20-S114 WeakPolarHBondContact CE-O 3.25Å; K20-S114 PolarHBondContact NZ-O 2.87Å; V41-S114 PolarHBondContact O-N 2.88Å; V41-S114 PolarHBondContact O-OG 3.44Å; R42-S114 WeakPolarHBondContact CG-OG 3.39Å; I112-S114 PolarHBondContact O-N 3.48Å | ||
| 115 | D | 95.2 | Very high | 94 | Very high | 7 Ų | 7 | 30.3 Ų | 30.3 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | trans | -144.5 | 42.5 | -164.7 | 65.9 | -19.3 | 0 | 0 | 0 | 115.5 | K20 R42 I43 S44 R117 | K20-D115 VanDerWaalsContact NZ-CB 3.35Å; R42-D115 WeakPolarHBondContact CA-OD1 3.48Å; I43-D115 PolarHBondContact N-OD1 3.09Å; I43-D115 PolarHBondContact N-OD2 2.88Å; S44-D115 WeakPolarHBondContact CB-OD2 3.44Å; S44-D115 PolarHBondContact N-OD2 3Å; S44-D115 VanDerWaalsContact N-OD2 3.08Å; S44-D115 PolarHBondContact OG-OD2 3.27Å; D115-R117 PolarHBondContact O-N 3.04Å | ||
| 116 | A | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -62.3 | 130.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V11 F12 S13 I43 D121 V122 L166 | V11-A116 HydrophobicContact CG1-CB 3.52Å; F12-A116 WeakPolarHBondContact O-CB 3.16Å; F12-A116 PolarHBondContact O-N 2.62Å; S13-A116 WeakPolarHBondContact CB-O 3.27Å; S13-A116 PolarHBondContact OG-O 3.37Å; I43-A116 HydrophobicContact CD1-CB 4.48Å; A116-D121 HydrophobicContact CB-CB 4.1Å; A116-V122 HydrophobicContact CB-CG2 4.44Å; A116-L166 HydrophobicContact CB-CD1 4.45Å | ||
| 117 | R | 94.4 | Very high | 95.6 | Very high | 63 Ų | 63 | 33.3 Ų | 33.3 | 24% | 0.238 | 15% | 0.152 | C | C | . | . | trans | -126.4 | -16.5 | -174.9 | -73.6 | 172.5 | 176.3 | -73.2 | 10 | 113 | D115 D121 S162 E163 G165 L166 | D115-R117 PolarHBondContact O-N 3.04Å; R117-D121 PolarHBondContact N-OD2 3Å; R117-S162 WeakPolarHBondContact CB-O 3.42Å; R117-S162 WeakPolarHBondContact CD-O 3.41Å; R117-S162 VanDerWaalsContact CG-O 3.26Å; R117-S162 WeakPolarHBondContact CG-O 3.39Å; R117-S162 PolarHBondContact NH1-O 2.85Å; R117-E163 IonicContact CZ-OE1 3.47Å; R117-E163 VanDerWaalsContact CZ-OE1 3.28Å; R117-E163 IonicContact NH1-OE1 3.52Å; R117-E163 PolarHBondContact NH1-OE1 3.48Å; R117-E163 IonicContact NH1-OE2 3.03Å; R117-E163 PolarHBondContact NH1-OE2 3.06Å; R117-E163 IonicContact NH2-OE1 3.71Å; R117-E163 PolarHBondContact NH2-OE1 3.29Å; R117-G165 CarbonylContact O-C 3.16Å; R117-L166 VanDerWaalsContact C-CD1 3.48Å | ||
| 118 | R | 93.9 | Very high | 96 | Very high | 19 Ų | 19 | 29.5 Ų | 29.5 | 7% | 0.072 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -130.3 | 156 | -175.7 | -59.9 | 179.9 | -175.2 | 78.2 | 2.3 | 111.8 | M80 E81 N120 D121 V122 | M80-R118 PolarHBondContact SD-NH2 3.35Å; E81-R118 IonicContact OE1-CZ 3.82Å; E81-R118 VanDerWaalsContact OE1-CZ 3.27Å; E81-R118 IonicContact OE1-NE 3.58Å; E81-R118 PolarHBondContact OE1-NE 2.87Å; E81-R118 IonicContact OE1-NH2 2.79Å; E81-R118 PolarHBondContact OE1-NH2 2.91Å; R118-N120 PolarHBondContact O-N 2.96Å; R118-D121 PolarHBondContact N-OD2 3.33Å; R118-D121 VanDerWaalsContact O-CB 3.31Å; R118-D121 WeakPolarHBondContact O-CB 3.47Å; R118-D121 PolarHBondContact O-N 3.1Å; R118-V122 PolarHBondContact O-N 2.88Å |
| 119 | I | 95.1 | Very high | 96 | Very high | 99 Ų | 99 | 30 Ų | 30 | 51% | 0.508 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -59.9 | -36.6 | 174.3 | -159.5 | 164.1 | 0 | 0 | 0 | 112.1 | D121 V122 D123 L166 F169 | I119-D121 PolarHBondContact O-N 3.11Å; I119-V122 PolarHBondContact O-N 3.41Å; I119-D123 WeakPolarHBondContact O-CB 3.32Å; I119-D123 PolarHBondContact O-N 3.47Å; I119-L166 HydrophobicContact CB-CD2 4.47Å; I119-F169 HydrophobicContact CD1-CD2 4.24Å; I119-F169 HydrophobicContact CG1-CD2 4.2Å |
| 120 | N | 94.7 | Very high | 96 | Very high | 53 Ų | 53 | 29.5 Ų | 29.5 | 28% | 0.283 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -64.4 | -29.9 | 176.3 | -67.2 | -8.7 | 0 | 0 | 0 | 112.4 | P88 Y89 R118 Y124 | P88-N120 HydrophobicContact CB-CB 4.45Å; P88-N120 WeakPolarHBondContact CB-ND2 3.49Å; Y89-N120 HydrophobicContact CE1-CB 4.41Å; R118-N120 PolarHBondContact O-N 2.96Å; N120-Y124 WeakPolarHBondContact O-CB 3.37Å; N120-Y124 PolarHBondContact O-N 2.84Å |
| 121 | D | 95.9 | Very high | 95.9 | Very high | 6 Ų | 6 | 34.1 Ų | 34.1 | 3% | 0.032 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64 | -51.5 | 174.9 | -55.9 | -29.6 | 0 | 0 | 0 | 109.2 | I43 T92 A116 R117 R118 I119 Y124 F125 | I43-D121 HydrophobicContact CD1-CB 3.84Å; T92-D121 HydrophobicContact CG2-CB 4.09Å; A116-D121 HydrophobicContact CB-CB 4.1Å; R117-D121 PolarHBondContact N-OD2 3Å; R118-D121 PolarHBondContact N-OD2 3.33Å; R118-D121 VanDerWaalsContact O-CB 3.31Å; R118-D121 WeakPolarHBondContact O-CB 3.47Å; R118-D121 PolarHBondContact O-N 3.1Å; I119-D121 PolarHBondContact O-N 3.11Å; D121-Y124 PolarHBondContact O-N 3.09Å; D121-F125 WeakPolarHBondContact O-CD2 3.37Å; D121-F125 PolarHBondContact O-N 3.07Å |
| 122 | V | 97.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.6 | -47.7 | 180 | 178.8 | 0 | 0 | 0 | 0 | 111 | V11 A116 R118 I119 Y124 F125 I126 L136 L166 F169 | V11-V122 HydrophobicContact CG1-CG2 4.32Å; A116-V122 HydrophobicContact CB-CG2 4.44Å; R118-V122 PolarHBondContact O-N 2.88Å; I119-V122 PolarHBondContact O-N 3.41Å; V122-Y124 PolarHBondContact O-N 2.97Å; V122-F125 PolarHBondContact O-N 3.31Å; V122-I126 HydrophobicContact CG1-CD1 3.72Å; V122-I126 HydrophobicContact CG1-CG1 4.38Å; V122-I126 WeakPolarHBondContact O-CG1 3.39Å; V122-I126 PolarHBondContact O-N 2.98Å; V122-L136 HydrophobicContact CG1-CD1 3.87Å; V122-L136 HydrophobicContact CG1-CD2 3.96Å; V122-L166 HydrophobicContact CG2-CD1 4.34Å; V122-L166 HydrophobicContact CG2-CD2 4.13Å; V122-F169 HydrophobicContact CG1-CE2 4.21Å; V122-F169 HydrophobicContact CG1-CZ 3.84Å |
| 123 | D | 96.9 | Very high | 95.5 | Very high | 41 Ų | 41 | 40.5 Ų | 40.5 | 22% | 0.219 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.8 | -44.2 | 178.9 | 174.1 | 75.8 | 0 | 0 | 0 | 111.8 | Y89 I119 F125 I126 R127 | Y89-D123 WeakPolarHBondContact CE1-OD2 3.48Å; Y89-D123 PolarHBondContact OH-OD2 3.12Å; I119-D123 WeakPolarHBondContact O-CB 3.32Å; I119-D123 PolarHBondContact O-N 3.47Å; D123-F125 PolarHBondContact O-N 3.37Å; D123-I126 PolarHBondContact O-N 3.31Å; D123-R127 WeakPolarHBondContact O-CB 3.41Å; D123-R127 VanDerWaalsContact O-CG 3.31Å; D123-R127 WeakPolarHBondContact O-CG 3.37Å; D123-R127 PolarHBondContact O-N 3.28Å; D123-R127 IonicContact OD1-CZ 3.43Å; D123-R127 IonicContact OD1-NE 3.22Å; D123-R127 PolarHBondContact OD1-NE 3.38Å; D123-R127 IonicContact OD1-NH2 3.51Å; D123-R127 PolarHBondContact OD1-NH2 2.64Å; D123-R127 WeakPolarHBondContact OD2-CD 3.33Å; D123-R127 IonicContact OD2-CZ 2.94Å; D123-R127 IonicContact OD2-NE 3.88Å; D123-R127 PolarHBondContact OD2-NE 3.42Å; D123-R127 IonicContact OD2-NH2 3.8Å |
| 124 | Y | 97.2 | Very high | 95.5 | Very high | 23 Ų | 23 | 40.6 Ų | 40.6 | 9% | 0.09 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.8 | -47 | 177.3 | 175.5 | -97.8 | 0 | 0 | 0 | 112.4 | Y89 T92 R93 L96 N120 D121 V122 R127 T128 | Y89-Y124 HydrophobicContact CD1-CD2 4Å; Y89-Y124 HydrophobicContact CD1-CG 4.23Å; Y89-Y124 HydrophobicContact CD2-CD2 4.27Å; Y89-Y124 AromaticContact CG-CD2 3.72Å; Y89-Y124 HydrophobicContact CG-CD2 3.72Å; Y89-Y124 HydrophobicContact CG-CG 4.37Å; T92-Y124 HydrophobicContact CG2-CD1 4.24Å; T92-Y124 VanDerWaalsContact OG1-CD1 3.28Å; T92-Y124 WeakPolarHBondContact OG1-CD1 3.46Å; R93-Y124 HydrophobicContact CB-CE2 4.46Å; R93-Y124 HydrophobicContact CG-CD2 4.22Å; R93-Y124 HydrophobicContact CG-CE1 4.49Å; R93-Y124 HydrophobicContact CG-CE2 3.29Å; R93-Y124 VanDerWaalsContact CG-CZ 3.47Å; R93-Y124 WeakPolarHBondContact CG-OH 3.38Å; L96-Y124 HydrophobicContact CD2-CE1 4.36Å; N120-Y124 WeakPolarHBondContact O-CB 3.37Å; N120-Y124 PolarHBondContact O-N 2.84Å; D121-Y124 PolarHBondContact O-N 3.09Å; V122-Y124 PolarHBondContact O-N 2.97Å; Y124-R127 PolarHBondContact O-N 3.12Å; Y124-T128 WeakPolarHBondContact O-CB 3.22Å; Y124-T128 PolarHBondContact O-N 3.27Å; Y124-T128 PolarHBondContact O-OG1 2.89Å |
| 125 | F | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.2 | -36.4 | -178.9 | -65.2 | -61.9 | 0 | 0 | 0 | 112.1 | V11 I43 T92 L96 I113 D121 V122 D123 R127 T128 F129 | V11-F125 HydrophobicContact CG2-CB 4.09Å; V11-F125 HydrophobicContact CG2-CD2 4.39Å; V11-F125 HydrophobicContact CG2-CG 4.47Å; I43-F125 HydrophobicContact CD1-CE2 4.02Å; I43-F125 HydrophobicContact CG1-CE2 4.46Å; T92-F125 HydrophobicContact CG2-CE2 3.75Å; T92-F125 HydrophobicContact CG2-CZ 3.92Å; L96-F125 HydrophobicContact CD2-CE1 4.46Å; I113-F125 HydrophobicContact CB-CD2 4.35Å; I113-F125 HydrophobicContact CB-CE2 4.14Å; I113-F125 HydrophobicContact CB-CZ 4.45Å; I113-F125 HydrophobicContact CD1-CD1 3.78Å; I113-F125 HydrophobicContact CD1-CD2 4.3Å; I113-F125 HydrophobicContact CD1-CE1 3.34Å; I113-F125 HydrophobicContact CD1-CE2 3.96Å; I113-F125 HydrophobicContact CD1-CG 4.25Å; I113-F125 HydrophobicContact CD1-CZ 3.45Å; I113-F125 VanDerWaalsContact CD1-CZ 3.45Å; I113-F125 HydrophobicContact CG1-CD1 3.89Å; I113-F125 HydrophobicContact CG1-CD2 3.69Å; I113-F125 HydrophobicContact CG1-CE1 3.83Å; I113-F125 HydrophobicContact CG1-CE2 3.68Å; I113-F125 HydrophobicContact CG1-CG 3.83Å; I113-F125 HydrophobicContact CG1-CZ 3.74Å; I113-F125 HydrophobicContact CG2-CD2 4.05Å; I113-F125 HydrophobicContact CG2-CE2 3.46Å; I113-F125 VanDerWaalsContact CG2-CE2 3.46Å; I113-F125 HydrophobicContact CG2-CZ 3.89Å; D121-F125 WeakPolarHBondContact O-CD2 3.37Å; D121-F125 PolarHBondContact O-N 3.07Å; V122-F125 PolarHBondContact O-N 3.31Å; D123-F125 PolarHBondContact O-N 3.37Å; F125-R127 VanDerWaalsContact C-N 3.34Å; F125-R127 PolarHBondContact O-N 3.46Å; F125-T128 PolarHBondContact O-N 3.02Å; F125-F129 HydrophobicContact CB-CD2 4.41Å; F125-F129 HydrophobicContact CD1-CD2 4.42Å; F125-F129 AromaticContact CD1-CE2 4Å; F125-F129 HydrophobicContact CD1-CE2 4Å; F125-F129 WeakPolarHBondContact O-CD2 3.47Å; F125-F129 PolarHBondContact O-N 3.22Å |
| 126 | I | 96.3 | Very high | 95.6 | Very high | 41 Ų | 41 | 40.5 Ų | 40.5 | 21% | 0.21 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.2 | -44.5 | 171.8 | -69.9 | 170 | 0 | 0 | 0 | 110.9 | V122 D123 T128 G130 R131 C134 L136 | V122-I126 HydrophobicContact CG1-CD1 3.72Å; V122-I126 HydrophobicContact CG1-CG1 4.38Å; V122-I126 WeakPolarHBondContact O-CG1 3.39Å; V122-I126 PolarHBondContact O-N 2.98Å; D123-I126 PolarHBondContact O-N 3.31Å; I126-T128 VanDerWaalsContact C-N 3.31Å; I126-T128 PolarHBondContact O-N 3.06Å; I126-G130 CarbonylContact O-C 3.59Å; I126-G130 WeakPolarHBondContact O-CA 3.31Å; I126-G130 PolarHBondContact O-N 3.37Å; I126-R131 HydrophobicContact CG2-CB 3.95Å; I126-C134 HydrophobicContact CG1-CB 4.39Å; I126-L136 HydrophobicContact CD1-CD1 4.1Å |
| 127 | R | 95.6 | Very high | 95.7 | Very high | 176 Ų | 176 | 40.5 Ų | 40.5 | 66% | 0.664 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -66.3 | -33.6 | 177.3 | -71.8 | 175.1 | -173.2 | -87.6 | -6.5 | 112.8 | D123 Y124 F125 | D123-R127 WeakPolarHBondContact O-CB 3.41Å; D123-R127 VanDerWaalsContact O-CG 3.31Å; D123-R127 WeakPolarHBondContact O-CG 3.37Å; D123-R127 PolarHBondContact O-N 3.28Å; D123-R127 IonicContact OD1-CZ 3.43Å; D123-R127 IonicContact OD1-NE 3.22Å; D123-R127 PolarHBondContact OD1-NE 3.38Å; D123-R127 IonicContact OD1-NH2 3.51Å; D123-R127 PolarHBondContact OD1-NH2 2.64Å; D123-R127 WeakPolarHBondContact OD2-CD 3.33Å; D123-R127 IonicContact OD2-CZ 2.94Å; D123-R127 IonicContact OD2-NE 3.88Å; D123-R127 PolarHBondContact OD2-NE 3.42Å; D123-R127 IonicContact OD2-NH2 3.8Å; Y124-R127 PolarHBondContact O-N 3.12Å; F125-R127 VanDerWaalsContact C-N 3.34Å; F125-R127 PolarHBondContact O-N 3.46Å |
| 128 | T | 94.3 | Very high | 95.9 | Very high | 42 Ų | 42 | 38.6 Ų | 38.6 | 26% | 0.258 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -77.5 | -40.5 | -177.1 | -58.7 | 0 | 0 | 0 | 0 | 112.5 | I2 L96 Y124 F125 I126 | I2-T128 HydrophobicContact CD1-CG2 4.31Å; L96-T128 HydrophobicContact CD2-CG2 4.08Å; Y124-T128 WeakPolarHBondContact O-CB 3.22Å; Y124-T128 PolarHBondContact O-N 3.27Å; Y124-T128 PolarHBondContact O-OG1 2.89Å; F125-T128 PolarHBondContact O-N 3.02Å; I126-T128 VanDerWaalsContact C-N 3.31Å; I126-T128 PolarHBondContact O-N 3.06Å |
| 129 | F | 93.6 | Very high | 96.1 | Very high | 14 Ų | 14 | 37.8 Ų | 37.8 | 6% | 0.061 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -106.3 | -16.9 | -173.6 | -67.7 | -82 | 0 | 0 | 0 | 114 | C9 L96 I111 F125 | C9-F129 HydrophobicContact CB-CB 3.86Å; C9-F129 HydrophobicContact CB-CD1 4.05Å; C9-F129 HydrophobicContact CB-CD2 3.57Å; C9-F129 HydrophobicContact CB-CE2 4.12Å; C9-F129 HydrophobicContact CB-CG 3.54Å; L96-F129 HydrophobicContact CD1-CZ 4.31Å; L96-F129 HydrophobicContact CD2-CE2 4.08Å; L96-F129 HydrophobicContact CD2-CZ 4.07Å; I111-F129 HydrophobicContact CB-CZ 4.27Å; I111-F129 HydrophobicContact CD1-CE1 3.69Å; I111-F129 HydrophobicContact CD1-CZ 3.55Å; I111-F129 HydrophobicContact CG1-CZ 4.46Å; I111-F129 HydrophobicContact CG2-CZ 4.22Å; F125-F129 HydrophobicContact CB-CD2 4.41Å; F125-F129 HydrophobicContact CD1-CD2 4.42Å; F125-F129 AromaticContact CD1-CE2 4Å; F125-F129 HydrophobicContact CD1-CE2 4Å; F125-F129 WeakPolarHBondContact O-CD2 3.47Å; F125-F129 PolarHBondContact O-N 3.22Å |
| 130 | G | 94.1 | Very high | 96.1 | Very high | 28 Ų | 28 | 35.8 Ų | 35.8 | 29% | 0.289 | 18% | 0.182 | S | C | . | . | trans | 83.6 | 136.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I126 S132 K133 C134 | I126-G130 CarbonylContact O-C 3.59Å; I126-G130 WeakPolarHBondContact O-CA 3.31Å; I126-G130 PolarHBondContact O-N 3.37Å; G130-S132 PolarHBondContact O-N 2.85Å; G130-S132 VanDerWaalsContact O-N 3.13Å; G130-K133 PolarHBondContact O-N 3.23Å; G130-C134 PolarHBondContact O-N 3.05Å; G130-C134 PolarHBondContact O-SG 3.22Å | ||
| 131 | R | 94.7 | Very high | 96.2 | Very high | 96 Ų | 96 | 34 Ų | 34 | 36% | 0.362 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -55.6 | -35.2 | -176.3 | 179 | 57.7 | -175 | 105.2 | -5.6 | 113.5 | I126 K133 C134 D173 | I126-R131 HydrophobicContact CG2-CB 3.95Å; R131-K133 PolarHBondContact O-N 3.43Å; R131-C134 PolarHBondContact NH1-O 3.36Å; R131-C134 PolarHBondContact O-N 2.83Å; R131-D173 IonicContact CZ-OD1 3.55Å; R131-D173 IonicContact CZ-OD2 3.47Å; R131-D173 IonicContact NH1-OD1 3.92Å; R131-D173 PolarHBondContact NH1-OD1 3.22Å; R131-D173 IonicContact NH1-OD2 2.83Å; R131-D173 PolarHBondContact NH1-OD2 2.93Å; R131-D173 VanDerWaalsContact NH2-CG 3.26Å; R131-D173 IonicContact NH2-OD1 2.73Å; R131-D173 PolarHBondContact NH2-OD1 3.14Å; R131-D173 IonicContact NH2-OD2 3.13Å; R131-D173 PolarHBondContact NH2-OD2 3.48Å; R131-D173 VanDerWaalsContact NH2-OD2 3.13Å |
| 132 | S | 93.8 | Very high | 96.2 | Very high | 96 Ų | 96 | 36.2 Ų | 36.2 | 67% | 0.671 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -66.5 | -21.6 | 179.6 | 54.4 | 0 | 0 | 0 | 0 | 113.7 | G130 L199 | G130-S132 PolarHBondContact O-N 2.85Å; G130-S132 VanDerWaalsContact O-N 3.13Å; S132-L199 VanDerWaalsContact O-CD2 3.31Å; S132-L199 WeakPolarHBondContact O-CD2 3.23Å |
| 133 | K | 94.1 | Very high | 96.1 | Very high | 45 Ų | 45 | 40.2 Ų | 40.2 | 20% | 0.196 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -101.9 | -1.4 | 175.7 | -62.6 | -175.5 | -180 | 175.9 | 0 | 112.9 | S5 C9 G130 R131 | S5-K133 PolarHBondContact O-NZ 3.34Å; C9-K133 PolarHBondContact N-O 3.08Å; G130-K133 PolarHBondContact O-N 3.23Å; R131-K133 PolarHBondContact O-N 3.43Å |
| 134 | C | 96.7 | Very high | 96 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.014 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 133.4 | 177.8 | -70.7 | 0 | 0 | 0 | 0 | 111 | C9 I126 G130 R131 L136 | C9-C134 CarbonylContact O-C 3.49Å; C9-C134 VanDerWaalsContact O-CA 3.25Å; C9-C134 WeakPolarHBondContact O-CA 3.38Å; I126-C134 HydrophobicContact CG1-CB 4.39Å; G130-C134 PolarHBondContact O-N 3.05Å; G130-C134 PolarHBondContact O-SG 3.22Å; R131-C134 PolarHBondContact NH1-O 3.36Å; R131-C134 PolarHBondContact O-N 2.83Å; C134-L136 HydrophobicContact CB-CD2 4.35Å |
| 135 | L | 97.8 | Very high | 96 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 119 | 163.5 | -70.1 | 178.5 | 0 | 0 | 0 | 109.5 | C9 V10 V11 D173 Y174 R195 I196 L199 | C9-L135 PolarHBondContact O-N 3.46Å; V10-L135 CarbonylContact C-O 3.51Å; V10-L135 WeakPolarHBondContact CA-O 3.37Å; V10-L135 HydrophobicContact CG1-CB 4.36Å; V10-L135 HydrophobicContact CG2-CB 4.4Å; V11-L135 PolarHBondContact N-O 2.7Å; L135-D173 WeakPolarHBondContact CA-OD2 3.15Å; L135-D173 HydrophobicContact CD2-CB 4.24Å; L135-Y174 HydrophobicContact CD2-CE2 4.3Å; L135-R195 HydrophobicContact CD1-CB 4.38Å; L135-R195 HydrophobicContact CD1-CG 3.96Å; L135-R195 HydrophobicContact CD2-CG 3.83Å; L135-I196 HydrophobicContact CD1-CG1 3.64Å; L135-L199 HydrophobicContact CD1-CD1 3.93Å; L135-L199 HydrophobicContact CD2-CD1 3.7Å; L135-L199 HydrophobicContact CG-CD1 3.55Å |
| 136 | L | 98.5 | Very high | 96 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 119.7 | -179.5 | -51.9 | -175.2 | 0 | 0 | 0 | 109.1 | V11 V122 I126 C134 F169 C171 W172 D173 Y174 | V11-L136 HydrophobicContact CB-CD2 3.81Å; V11-L136 HydrophobicContact CG2-CD2 3.94Å; V122-L136 HydrophobicContact CG1-CD1 3.87Å; V122-L136 HydrophobicContact CG1-CD2 3.96Å; I126-L136 HydrophobicContact CD1-CD1 4.1Å; C134-L136 HydrophobicContact CB-CD2 4.35Å; L136-F169 HydrophobicContact CD1-CE1 3.99Å; L136-F169 HydrophobicContact CD1-CZ 3.77Å; L136-C171 WeakPolarHBondContact CD1-O 3.05Å; L136-W172 HydrophobicContact CB-CE3 3.7Å; L136-W172 HydrophobicContact CB-CZ3 4.09Å; L136-D173 PolarHBondContact N-OD2 3.18Å; L136-D173 PolarHBondContact O-N 2.91Å; L136-Y174 PolarHBondContact O-N 3.42Å; L136-Y174 VanDerWaalsContact O-N 3.1Å |
| 137 | I | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 121.6 | -172.9 | -52.5 | -177 | 0 | 0 | 0 | 110.4 | V10 V11 F12 S13 I139 Y174 V176 I192 | V10-I137 HydrophobicContact CG1-CD1 3.47Å; V10-I137 VanDerWaalsContact CG1-CD1 3.47Å; V10-I137 HydrophobicContact CG1-CG1 4.15Å; V11-I137 PolarHBondContact O-N 3.18Å; F12-I137 WeakPolarHBondContact CA-O 3.36Å; F12-I137 HydrophobicContact CD1-CB 4.08Å; F12-I137 HydrophobicContact CD1-CG2 3.96Å; F12-I137 HydrophobicContact CE1-CB 4.02Å; F12-I137 HydrophobicContact CE1-CD1 4.12Å; F12-I137 HydrophobicContact CE1-CG2 3.67Å; F12-I137 HydrophobicContact CE2-CD1 4.16Å; F12-I137 HydrophobicContact CZ-CB 4.42Å; F12-I137 HydrophobicContact CZ-CD1 3.73Å; F12-I137 HydrophobicContact CZ-CG2 4.35Å; S13-I137 PolarHBondContact N-O 2.99Å; I137-I139 HydrophobicContact CG2-CD1 3.98Å; I137-Y174 WeakPolarHBondContact CA-O 3.17Å; I137-Y174 HydrophobicContact CG1-CD2 4.38Å; I137-V176 HydrophobicContact CG2-CG2 3.89Å; I137-I192 HydrophobicContact CD1-CD1 3.8Å; I137-I192 HydrophobicContact CD1-CG1 4.05Å; I137-I192 HydrophobicContact CD1-CG2 3.88Å |
| 138 | R | 98.1 | Very high | 96 | Very high | 23 Ų | 23 | 46.7 Ų | 46.7 | 9% | 0.087 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 124.5 | 172 | -175.7 | 64.3 | 172.5 | -162.2 | -11.9 | 110.4 | S13 V140 D167 W172 Y174 I175 V176 | S13-R138 WeakPolarHBondContact O-CA 3.35Å; S13-R138 PolarHBondContact OG-NH1 3.17Å; R138-V140 HydrophobicContact CG-CG1 3.99Å; R138-D167 IonicContact CZ-OD1 2.64Å; R138-D167 IonicContact NH2-OD1 3.27Å; R138-D167 PolarHBondContact NH2-OD1 3.08Å; R138-W172 HydrophobicContact CB-CD2 3.56Å; R138-W172 HydrophobicContact CB-CE3 3.99Å; R138-W172 HydrophobicContact CB-CG 3.82Å; R138-W172 HydrophobicContact CB-CZ2 4.2Å; R138-W172 HydrophobicContact CB-CZ3 4.5Å; R138-W172 HydrophobicContact CG-CZ2 4.45Å; R138-Y174 PolarHBondContact N-O 3.12Å; R138-I175 CarbonylContact O-C 3.54Å; R138-I175 WeakPolarHBondContact O-CA 3.35Å; R138-V176 PolarHBondContact O-N 3.02Å |
| 139 | I | 97.6 | Very high | 96 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 124.3 | 170.5 | -50.8 | -51.9 | 0 | 0 | 0 | 108.8 | F12 S13 S18 K20 T23 I137 V176 N178 | F12-I139 HydrophobicContact CD1-CD1 3.98Å; F12-I139 HydrophobicContact CD1-CG1 4.05Å; F12-I139 HydrophobicContact CE1-CD1 3.98Å; S13-I139 PolarHBondContact O-N 3.05Å; S18-I139 WeakPolarHBondContact O-CG2 3.31Å; K20-I139 HydrophobicContact CB-CB 4.37Å; K20-I139 HydrophobicContact CB-CG1 4.19Å; K20-I139 HydrophobicContact CG-CG1 4.2Å; T23-I139 HydrophobicContact CG2-CD1 3.74Å; I137-I139 HydrophobicContact CG2-CD1 3.98Å; I139-V176 WeakPolarHBondContact CA-O 3.31Å; I139-V176 HydrophobicContact CD1-CB 3.77Å; I139-V176 HydrophobicContact CD1-CG1 4.32Å; I139-V176 HydrophobicContact CD1-CG2 4.36Å; I139-N178 HydrophobicContact CG2-CB 4.01Å |
| 140 | V | 96.8 | Very high | 95.9 | Very high | 57 Ų | 57 | 50.2 Ų | 50.2 | 35% | 0.345 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 146.6 | 175.7 | -61.5 | 0 | 0 | 0 | 0 | 109.7 | R138 I175 V176 S177 N178 | R138-V140 HydrophobicContact CG-CG1 3.99Å; V140-I175 HydrophobicContact CB-CG2 4.35Å; V140-I175 HydrophobicContact CG1-CG2 3.75Å; V140-I175 HydrophobicContact CG2-CG2 3.61Å; V140-V176 PolarHBondContact N-O 3.29Å; V140-S177 CarbonylContact O-C 3.58Å; V140-S177 WeakPolarHBondContact O-CA 3.43Å; V140-N178 PolarHBondContact O-N 3.41Å |
| 141 | T | 96.4 | Very high | 95.9 | Very high | 17 Ų | 17 | 50.5 Ų | 50.5 | 10% | 0.104 | 26% | 0.264 | C | S | . | . | trans | -148.7 | 132.7 | 177.9 | -57.2 | 0 | 0 | 0 | 0 | 107.6 | S18 T145 R146 N178 | S18-T141 VanDerWaalsContact CA-OG1 3.31Å; S18-T141 WeakPolarHBondContact CA-OG1 3.33Å; S18-T141 PolarHBondContact O-OG1 3.15Å; T141-T145 HydrophobicContact CG2-CG2 3.76Å; T141-R146 HydrophobicContact CG2-CG 3.73Å; T141-N178 WeakPolarHBondContact CG2-O 3.31Å; T141-N178 PolarHBondContact OG1-O 3.22Å; T141-N178 VanDerWaalsContact OG1-O 3.12Å | ||
| 142 | P | 95.4 | Very high | 95.9 | Very high | 51 Ų | 51 | 49.4 Ų | 49.4 | 33% | 0.331 | 27% | 0.271 | S | S | . | . | trans | -50.9 | 150 | 171.9 | -26.5 | 35.3 | 0 | 0 | 0 | 112.2 | E144 T145 R146 D179 | P142-E144 WeakPolarHBondContact CB-OE2 3.28Å; P142-E144 PolarHBondContact O-N 3.02Å; P142-T145 PolarHBondContact O-N 3.31Å; P142-R146 WeakPolarHBondContact O-CG 3.48Å; P142-R146 PolarHBondContact O-N 3.13Å; P142-R146 VanDerWaalsContact O-N 3.08Å; P142-D179 HydrophobicContact CG-CB 4.04Å | ||
| 143 | I | 95 | Very high | 95.8 | Very high | 86 Ų | 86 | 50 Ų | 50 | 44% | 0.441 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.4 | -37.4 | -177.8 | -72.6 | 170.6 | 0 | 0 | 0 | 110 | R146 I147 W151 | I143-R146 CarbonylContact O-C 3.33Å; I143-R146 WeakPolarHBondContact O-CA 3.36Å; I143-R146 WeakPolarHBondContact O-CB 3.47Å; I143-R146 PolarHBondContact O-N 2.97Å; I143-R146 VanDerWaalsContact O-N 3.09Å; I143-I147 HydrophobicContact CG2-CD1 3.77Å; I143-I147 HydrophobicContact CG2-CG1 4.22Å; I143-I147 WeakPolarHBondContact O-CG1 3.43Å; I143-I147 PolarHBondContact O-N 3.36Å; I143-W151 HydrophobicContact CG2-CE3 4.41Å; I143-W151 HydrophobicContact CG2-CZ3 3.91Å |
| 144 | E | 95.6 | Very high | 95.6 | Very high | 125 Ų | 125 | 51 Ų | 51 | 58% | 0.584 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -58.3 | -52.2 | 179.5 | -59.1 | 70.4 | -152.5 | 0 | 0 | 110.4 | P142 R146 I147 E148 | P142-E144 WeakPolarHBondContact CB-OE2 3.28Å; P142-E144 PolarHBondContact O-N 3.02Å; E144-R146 VanDerWaalsContact C-N 3.27Å; E144-R146 PolarHBondContact O-N 3.46Å; E144-I147 WeakPolarHBondContact O-CB 3.22Å; E144-I147 PolarHBondContact O-N 3.49Å; E144-E148 WeakPolarHBondContact O-CG 3.38Å; E144-E148 PolarHBondContact O-N 2.62Å |
| 145 | T | 96 | Very high | 95.2 | Very high | 18 Ų | 18 | 56.9 Ų | 56.9 | 11% | 0.11 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.9 | -33.5 | 175.8 | -46.8 | 0 | 0 | 0 | 0 | 112 | T141 P142 R149 | T141-T145 HydrophobicContact CG2-CG2 3.76Å; P142-T145 PolarHBondContact O-N 3.31Å; T145-R149 WeakPolarHBondContact O-CD 3.26Å; T145-R149 VanDerWaalsContact O-CG 3.22Å; T145-R149 WeakPolarHBondContact O-CG 3.36Å; T145-R149 PolarHBondContact O-N 3.44Å |
| 146 | R | 96.3 | Very high | 94.6 | Very high | 21 Ų | 21 | 58.8 Ų | 58.8 | 8% | 0.079 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.8 | -42.3 | 173.8 | -68.1 | 168.9 | 69.3 | -158.1 | -2.1 | 110.5 | R16 K17 T141 P142 I143 E144 E148 R149 G150 W151 | R16-R146 PolarHBondContact O-NE 3.18Å; R16-R146 PolarHBondContact O-NH2 3.43Å; K17-R146 HydrophobicContact CB-CB 4.38Å; T141-R146 HydrophobicContact CG2-CG 3.73Å; P142-R146 WeakPolarHBondContact O-CG 3.48Å; P142-R146 PolarHBondContact O-N 3.13Å; P142-R146 VanDerWaalsContact O-N 3.08Å; I143-R146 CarbonylContact O-C 3.33Å; I143-R146 WeakPolarHBondContact O-CA 3.36Å; I143-R146 WeakPolarHBondContact O-CB 3.47Å; I143-R146 PolarHBondContact O-N 2.97Å; I143-R146 VanDerWaalsContact O-N 3.09Å; E144-R146 VanDerWaalsContact C-N 3.27Å; E144-R146 PolarHBondContact O-N 3.46Å; R146-E148 VanDerWaalsContact C-N 3.34Å; R146-R149 CarbonylContact O-C 3.57Å; R146-R149 WeakPolarHBondContact O-CA 3.15Å; R146-R149 WeakPolarHBondContact O-CB 3.26Å; R146-R149 PolarHBondContact O-N 2.97Å; R146-G150 PolarHBondContact O-N 3.08Å; R146-W151 HydrophobicContact CB-CB 3.78Å; R146-W151 HydrophobicContact CB-CD2 4.41Å; R146-W151 HydrophobicContact CB-CG 4.08Å; R146-W151 VanDerWaalsContact NH2-NE1 3.11Å; R146-W151 WeakPolarHBondContact O-CB 3.49Å; R146-W151 PolarHBondContact O-N 3.35Å |
| 147 | I | 96.6 | Very high | 94.1 | Very high | 93 Ų | 93 | 59.4 Ų | 59.4 | 48% | 0.477 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.8 | -45.8 | 177.2 | -69.1 | 166.8 | 0 | 0 | 0 | 110.3 | I143 E144 R149 G150 W151 | I143-I147 HydrophobicContact CG2-CD1 3.77Å; I143-I147 HydrophobicContact CG2-CG1 4.22Å; I143-I147 WeakPolarHBondContact O-CG1 3.43Å; I143-I147 PolarHBondContact O-N 3.36Å; E144-I147 WeakPolarHBondContact O-CB 3.22Å; E144-I147 PolarHBondContact O-N 3.49Å; I147-R149 PolarHBondContact O-N 3.07Å; I147-G150 WeakPolarHBondContact O-CA 3.4Å; I147-G150 PolarHBondContact O-N 3.48Å; I147-W151 WeakPolarHBondContact CA-O 3.13Å; I147-W151 HydrophobicContact CG1-CE3 3.84Å; I147-W151 HydrophobicContact CG1-CZ3 4.34Å |
| 148 | E | 95.6 | Very high | 93.7 | Very high | 160 Ų | 160 | 60 Ų | 60 | 75% | 0.748 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -57.1 | -31.5 | 174.4 | -69.4 | 171.7 | 176.2 | 0 | 0 | 112.6 | E144 R146 G150 | E144-E148 WeakPolarHBondContact O-CG 3.38Å; E144-E148 PolarHBondContact O-N 2.62Å; R146-E148 VanDerWaalsContact C-N 3.34Å; E148-G150 PolarHBondContact O-N 3.43Å |
| 149 | R | 94.1 | Very high | 93.3 | Very high | 78 Ų | 78 | 62.8 Ų | 62.8 | 29% | 0.294 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 12.8 | 174.7 | -64 | 165.9 | -178.1 | 179.3 | 2.4 | 113.5 | K17 S18 T145 R146 I147 N178 | K17-R149 WeakPolarHBondContact CD-O 3.48Å; K17-R149 WeakPolarHBondContact CE-O 3.39Å; K17-R149 PolarHBondContact NZ-O 3.34Å; S18-R149 PolarHBondContact O-NH1 3.32Å; T145-R149 WeakPolarHBondContact O-CD 3.26Å; T145-R149 VanDerWaalsContact O-CG 3.22Å; T145-R149 WeakPolarHBondContact O-CG 3.36Å; T145-R149 PolarHBondContact O-N 3.44Å; R146-R149 CarbonylContact O-C 3.57Å; R146-R149 WeakPolarHBondContact O-CA 3.15Å; R146-R149 WeakPolarHBondContact O-CB 3.26Å; R146-R149 PolarHBondContact O-N 2.97Å; I147-R149 PolarHBondContact O-N 3.07Å; R149-N178 PolarHBondContact NH1-O 3Å; R149-N178 VanDerWaalsContact NH1-O 3.14Å; R149-N178 PolarHBondContact NH2-O 2.97Å; R149-N178 PolarHBondContact NH2-OD1 3.15Å |
| 150 | G | 93.1 | Very high | 92.9 | Very high | 51 Ų | 51 | 63.6 Ų | 63.6 | 53% | 0.526 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 33.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R146 I147 E148 | R146-G150 PolarHBondContact O-N 3.08Å; I147-G150 WeakPolarHBondContact O-CA 3.4Å; I147-G150 PolarHBondContact O-N 3.48Å; E148-G150 PolarHBondContact O-N 3.43Å |
| 151 | W | 93.8 | Very high | 92.4 | Very high | 34 Ų | 34 | 66.9 Ų | 66.9 | 13% | 0.129 | 37% | 0.365 | C | S | . | . | trans | -84.3 | 133 | 166.8 | -173.8 | 81 | 0 | 0 | 0 | 110.1 | K17 I143 R146 I147 H153 D158 | K17-W151 HydrophobicContact CB-CB 3.87Å; K17-W151 HydrophobicContact CB-CG 4.27Å; K17-W151 HydrophobicContact CG-CB 3.81Å; K17-W151 HydrophobicContact CG-CG 4.27Å; I143-W151 HydrophobicContact CG2-CE3 4.41Å; I143-W151 HydrophobicContact CG2-CZ3 3.91Å; R146-W151 HydrophobicContact CB-CB 3.78Å; R146-W151 HydrophobicContact CB-CD2 4.41Å; R146-W151 HydrophobicContact CB-CG 4.08Å; R146-W151 VanDerWaalsContact NH2-NE1 3.11Å; R146-W151 WeakPolarHBondContact O-CB 3.49Å; R146-W151 PolarHBondContact O-N 3.35Å; I147-W151 WeakPolarHBondContact CA-O 3.13Å; I147-W151 HydrophobicContact CG1-CE3 3.84Å; I147-W151 HydrophobicContact CG1-CZ3 4.34Å; W151-H153 HydrophobicContact CH2-CB 3.87Å; W151-H153 HydrophobicContact CZ2-CB 4.15Å; W151-D158 HydrophobicContact CZ2-CB 4.24Å; W151-D158 PolarHBondContact NE1-OD1 2.93Å | ||
| 152 | S | 93.2 | Very high | 91.9 | Very high | 74 Ų | 74 | 66.4 Ų | 66.4 | 52% | 0.517 | 36% | 0.363 | S | S | . | . | trans | -133.6 | 147.3 | 163.3 | 56.4 | 0 | 0 | 0 | 0 | 107.3 | R16 I154 | R16-S152 PolarHBondContact NH2-O 2.78Å; S152-I154 PolarHBondContact O-N 2.74Å | ||
| 153 | H | 93 | Very high | 91.6 | Very high | 107 Ų | 107 | 64.4 Ų | 64.4 | 50% | 0.495 | 35% | 0.349 | S | S | . | . | trans | -63.9 | 125.7 | 178.3 | 178.9 | -90.8 | 0 | 0 | 0 | 110.7 | W151 | W151-H153 HydrophobicContact CH2-CB 3.87Å; W151-H153 HydrophobicContact CZ2-CB 4.15Å | ||
| 154 | I | 89.3 | Confident | 91.6 | Very high | 68 Ų | 68 | 62.1 Ų | 62.1 | 35% | 0.349 | 34% | 0.34 | S | S | . | . | trans | -116.3 | 113.4 | 172.2 | -57.9 | 172.1 | 0 | 0 | 0 | 108.1 | S152 V157 D158 | S152-I154 PolarHBondContact O-N 2.74Å; I154-V157 HydrophobicContact CB-CB 4.04Å; I154-V157 HydrophobicContact CB-CG2 4.31Å; I154-V157 HydrophobicContact CG2-CB 3.95Å; I154-V157 HydrophobicContact CG2-CG2 3.67Å; I154-V157 PolarHBondContact O-N 3.39Å; I154-V157 VanDerWaalsContact O-N 3.07Å; I154-D158 PolarHBondContact N-OD2 2.83Å; I154-D158 PolarHBondContact O-N 2.72Å | ||
| 155 | D | 88.4 | Confident | 91.4 | Very high | 125 Ų | 125 | 57 Ų | 57 | 67% | 0.668 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 138.2 | 175.9 | -168.7 | 65.5 | 0 | 0 | 0 | 111 | V157 N159 | D155-V157 PolarHBondContact O-N 3.47Å; D155-N159 PolarHBondContact OD1-ND2 3Å |
| 156 | G | 86.1 | Confident | 91.5 | Very high | 44 Ų | 44 | 56.3 Ų | 56.3 | 45% | 0.454 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | -4.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | N159 A160 | G156-N159 WeakPolarHBondContact CA-OD1 3.48Å; G156-N159 PolarHBondContact N-OD1 2.9Å; G156-A160 WeakPolarHBondContact O-CB 3.48Å |
| 157 | V | 86.3 | Confident | 91.4 | Very high | 13 Ų | 13 | 58.8 Ų | 58.8 | 8% | 0.079 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | -62.5 | 173.1 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | I154 D155 N159 A160 E163 | I154-V157 HydrophobicContact CB-CB 4.04Å; I154-V157 HydrophobicContact CB-CG2 4.31Å; I154-V157 HydrophobicContact CG2-CB 3.95Å; I154-V157 HydrophobicContact CG2-CG2 3.67Å; I154-V157 PolarHBondContact O-N 3.39Å; I154-V157 VanDerWaalsContact O-N 3.07Å; D155-V157 PolarHBondContact O-N 3.47Å; V157-N159 VanDerWaalsContact C-N 3.33Å; V157-N159 PolarHBondContact O-N 3.47Å; V157-A160 PolarHBondContact O-N 3.3Å; V157-E163 WeakPolarHBondContact O-CG 2.99Å |
| 158 | D | 90.1 | Very high | 91.3 | Very high | 13 Ų | 13 | 63.2 Ų | 63.2 | 7% | 0.07 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -16.6 | -172.2 | -68.6 | -73.7 | 0 | 0 | 0 | 113.3 | R16 W151 I154 | R16-D158 IonicContact CZ-OD1 3.54Å; R16-D158 IonicContact CZ-OD2 2.68Å; R16-D158 IonicContact NE-OD1 3.38Å; R16-D158 PolarHBondContact NE-OD1 3.03Å; R16-D158 IonicContact NE-OD2 3.9Å; R16-D158 IonicContact NH2-OD1 3.9Å; R16-D158 PolarHBondContact NH2-OD1 2.84Å; R16-D158 IonicContact NH2-OD2 3.68Å; R16-D158 PolarHBondContact NH2-OD2 2.79Å; W151-D158 HydrophobicContact CZ2-CB 4.24Å; W151-D158 PolarHBondContact NE1-OD1 2.93Å; I154-D158 PolarHBondContact N-OD2 2.83Å; I154-D158 PolarHBondContact O-N 2.72Å |
| 159 | N | 90.8 | Very high | 91.4 | Very high | 81 Ų | 81 | 57.2 Ų | 57.2 | 43% | 0.433 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 3.9 | 173 | 64.3 | -14 | 0 | 0 | 0 | 113.6 | D155 G156 V157 | D155-N159 PolarHBondContact OD1-ND2 3Å; G156-N159 WeakPolarHBondContact CA-OD1 3.48Å; G156-N159 PolarHBondContact N-OD1 2.9Å; V157-N159 VanDerWaalsContact C-N 3.33Å; V157-N159 PolarHBondContact O-N 3.47Å |
| 160 | A | 89 | Confident | 91.4 | Very high | 20 Ų | 20 | 59.2 Ų | 59.2 | 17% | 0.165 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -78.3 | 158.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G156 V157 S162 E163 C164 | G156-A160 WeakPolarHBondContact O-CB 3.48Å; V157-A160 PolarHBondContact O-N 3.3Å; A160-S162 PolarHBondContact O-N 2.93Å; A160-E163 PolarHBondContact O-N 2.71Å; A160-C164 PolarHBondContact O-N 2.7Å |
| 161 | M | 87.1 | Confident | 91.5 | Very high | 125 Ų | 125 | 60.5 Ų | 60.5 | 62% | 0.616 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -55.2 | -27.7 | 174.5 | -78.1 | -60 | -66.1 | 0 | 0 | 113.4 | E163 G165 | M161-E163 PolarHBondContact O-N 2.88Å; M161-G165 VanDerWaalsContact O-CA 3.27Å; M161-G165 WeakPolarHBondContact O-CA 3.47Å; M161-G165 PolarHBondContact O-N 3.21Å |
| 162 | S | 85.7 | Confident | 91.7 | Very high | 7 Ų | 7 | 60.5 Ų | 60.5 | 5% | 0.049 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.5 | -23 | 176.4 | 62.1 | 0 | 0 | 0 | 0 | 113.3 | R117 A160 | R117-S162 WeakPolarHBondContact CB-O 3.42Å; R117-S162 WeakPolarHBondContact CD-O 3.41Å; R117-S162 VanDerWaalsContact CG-O 3.26Å; R117-S162 WeakPolarHBondContact CG-O 3.39Å; R117-S162 PolarHBondContact NH1-O 2.85Å; A160-S162 PolarHBondContact O-N 2.93Å |
| 163 | E | 89.5 | Confident | 92 | Very high | 10 Ų | 10 | 60 Ų | 60 | 5% | 0.047 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -108.2 | -30.8 | 176.4 | -66.5 | -65.3 | 150.5 | 0 | 0 | 112.8 | R16 R117 V157 A160 M161 | R16-E163 PolarHBondContact N-OE2 3.18Å; R117-E163 IonicContact CZ-OE1 3.47Å; R117-E163 VanDerWaalsContact CZ-OE1 3.28Å; R117-E163 IonicContact NH1-OE1 3.52Å; R117-E163 PolarHBondContact NH1-OE1 3.48Å; R117-E163 IonicContact NH1-OE2 3.03Å; R117-E163 PolarHBondContact NH1-OE2 3.06Å; R117-E163 IonicContact NH2-OE1 3.71Å; R117-E163 PolarHBondContact NH2-OE1 3.29Å; V157-E163 WeakPolarHBondContact O-CG 2.99Å; A160-E163 PolarHBondContact O-N 2.71Å; M161-E163 PolarHBondContact O-N 2.88Å |
| 164 | C | 93.3 | Very high | 92.2 | Very high | 37 Ų | 37 | 57.3 Ų | 57.3 | 25% | 0.25 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -102.3 | -5.9 | -176 | -76.5 | 0 | 0 | 0 | 0 | 115.2 | A160 L166 D167 | A160-C164 PolarHBondContact O-N 2.7Å; C164-L166 PolarHBondContact O-N 3.44Å; C164-D167 WeakPolarHBondContact O-CB 3.43Å; C164-D167 PolarHBondContact O-N 2.75Å; C164-D167 PolarHBondContact SG-OD2 3.2Å |
| 165 | G | 92.9 | Very high | 92.5 | Very high | 19 Ų | 19 | 59 Ų | 59 | 20% | 0.196 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 0.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | R117 M161 | R117-G165 CarbonylContact O-C 3.16Å; M161-G165 VanDerWaalsContact O-CA 3.27Å; M161-G165 WeakPolarHBondContact O-CA 3.47Å; M161-G165 PolarHBondContact O-N 3.21Å |
| 166 | L | 96.5 | Very high | 92.9 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.6 | 14.3 | 176.2 | -74.8 | 170.2 | 0 | 0 | 0 | 112.4 | S13 A116 R117 I119 V122 C164 E168 F169 W172 | S13-L166 VanDerWaalsContact OG-CD1 3.28Å; S13-L166 WeakPolarHBondContact OG-CD1 3.42Å; A116-L166 HydrophobicContact CB-CD1 4.45Å; R117-L166 VanDerWaalsContact C-CD1 3.48Å; I119-L166 HydrophobicContact CB-CD2 4.47Å; V122-L166 HydrophobicContact CG2-CD1 4.34Å; V122-L166 HydrophobicContact CG2-CD2 4.13Å; C164-L166 PolarHBondContact O-N 3.44Å; L166-E168 VanDerWaalsContact C-N 3.31Å; L166-E168 PolarHBondContact O-N 3.36Å; L166-F169 HydrophobicContact CB-CB 4.42Å; L166-F169 HydrophobicContact CD2-CB 3.82Å; L166-F169 HydrophobicContact CD2-CD2 4.4Å; L166-F169 HydrophobicContact CD2-CG 4.06Å; L166-F169 PolarHBondContact O-N 3.41Å; L166-W172 HydrophobicContact CB-CZ2 4.22Å; L166-W172 HydrophobicContact CD1-CH2 4.13Å; L166-W172 HydrophobicContact CD1-CZ2 4.43Å |
| 167 | D | 95.5 | Very high | 93.3 | Very high | 72 Ų | 72 | 52.5 Ų | 52.5 | 39% | 0.385 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -67.8 | -32.4 | -179.8 | -75.8 | -4.2 | 0 | 0 | 0 | 112.4 | K15 R138 C164 | K15-D167 VanDerWaalsContact CE-CG 3.46Å; K15-D167 WeakPolarHBondContact CE-OD1 3.48Å; K15-D167 WeakPolarHBondContact CE-OD2 3.44Å; K15-D167 IonicContact NZ-OD1 3.17Å; K15-D167 PolarHBondContact NZ-OD1 3.05Å; K15-D167 IonicContact NZ-OD2 3.19Å; K15-D167 PolarHBondContact NZ-OD2 3.33Å; R138-D167 IonicContact CZ-OD1 2.64Å; R138-D167 IonicContact NH2-OD1 3.27Å; R138-D167 PolarHBondContact NH2-OD1 3.08Å; C164-D167 WeakPolarHBondContact O-CB 3.43Å; C164-D167 PolarHBondContact O-N 2.75Å; C164-D167 PolarHBondContact SG-OD2 3.2Å |
| 168 | E | 95.1 | Very high | 93.7 | Very high | 186 Ų | 186 | 52.2 Ų | 52.2 | 87% | 0.869 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -88.4 | -6 | 176.7 | -61.3 | -179.6 | 176.9 | 0 | 0 | 113.2 | L166 T170 | L166-E168 VanDerWaalsContact C-N 3.31Å; L166-E168 PolarHBondContact O-N 3.36Å; E168-T170 PolarHBondContact O-N 2.92Å |
| 169 | F | 96.3 | Very high | 93.9 | Very high | 35 Ų | 35 | 54.6 Ų | 54.6 | 15% | 0.154 | 30% | 0.297 | C | S | . | . | trans | -77.5 | 122.9 | 179.3 | -175.5 | -89.7 | 0 | 0 | 0 | 110.2 | I119 V122 L136 L166 C171 W172 | I119-F169 HydrophobicContact CD1-CD2 4.24Å; I119-F169 HydrophobicContact CG1-CD2 4.2Å; V122-F169 HydrophobicContact CG1-CE2 4.21Å; V122-F169 HydrophobicContact CG1-CZ 3.84Å; L136-F169 HydrophobicContact CD1-CE1 3.99Å; L136-F169 HydrophobicContact CD1-CZ 3.77Å; L166-F169 HydrophobicContact CB-CB 4.42Å; L166-F169 HydrophobicContact CD2-CB 3.82Å; L166-F169 HydrophobicContact CD2-CD2 4.4Å; L166-F169 HydrophobicContact CD2-CG 4.06Å; L166-F169 PolarHBondContact O-N 3.41Å; F169-C171 HydrophobicContact CE1-CB 3.9Å; F169-C171 HydrophobicContact CE2-CB 4.25Å; F169-C171 HydrophobicContact CZ-CB 3.64Å; F169-W172 HydrophobicContact CB-CZ2 4.37Å; F169-W172 AromaticContact CD1-CD2 3.85Å; F169-W172 HydrophobicContact CD1-CD2 3.85Å; F169-W172 AromaticContact CD1-CE2 3.39Å; F169-W172 HydrophobicContact CD1-CE3 4.39Å; F169-W172 HydrophobicContact CD1-CG 4.32Å; F169-W172 HydrophobicContact CD1-CH2 4.06Å; F169-W172 AromaticContact CD1-CZ2 3.5Å; F169-W172 HydrophobicContact CD1-CZ2 3.5Å; F169-W172 HydrophobicContact CD1-CZ3 4.49Å; F169-W172 AromaticContact CD1-NE1 3.61Å; F169-W172 AromaticContact CE1-CD2 3.98Å; F169-W172 HydrophobicContact CE1-CD2 3.98Å; F169-W172 AromaticContact CE1-CE2 3.99Å; F169-W172 HydrophobicContact CE1-CE3 4.19Å; F169-W172 HydrophobicContact CE1-CG 4.45Å; F169-W172 HydrophobicContact CE1-CH2 4.33Å; F169-W172 HydrophobicContact CE1-CZ2 4.17Å; F169-W172 HydrophobicContact CE1-CZ3 4.37Å; F169-W172 HydrophobicContact CG-CZ2 4.29Å; F169-W172 PolarHBondContact O-NE1 3.44Å | ||
| 170 | T | 94.5 | Very high | 93.8 | Very high | 120 Ų | 120 | 53.1 Ų | 53.1 | 74% | 0.736 | 30% | 0.301 | S | S | * | . | trans | -112.4 | -12.8 | -173.1 | 55.9 | 0 | 0 | 0 | 0 | 114.6 | E168 W172 | E168-T170 PolarHBondContact O-N 2.92Å; T170-W172 PolarHBondContact O-N 2.92Å | ||
| 171 | C | 96 | Very high | 94.1 | Very high | 78 Ų | 78 | 56 Ų | 56 | 53% | 0.527 | 31% | 0.314 | S | S | . | . | trans | -77.8 | 33.2 | -173.9 | -60.1 | 0 | 0 | 0 | 0 | 114.2 | L136 F169 | L136-C171 WeakPolarHBondContact CD1-O 3.05Å; F169-C171 HydrophobicContact CE1-CB 3.9Å; F169-C171 HydrophobicContact CE2-CB 4.25Å; F169-C171 HydrophobicContact CZ-CB 3.64Å | ||
| 172 | W | 97.8 | Very high | 94.4 | Very high | 33 Ų | 33 | 54.2 Ų | 54.2 | 13% | 0.125 | 30% | 0.304 | C | S | . | . | trans | -71.1 | 138.4 | 176.9 | -58.9 | 108.8 | 0 | 0 | 0 | 111.1 | L136 R138 L166 F169 T170 I175 | L136-W172 HydrophobicContact CB-CE3 3.7Å; L136-W172 HydrophobicContact CB-CZ3 4.09Å; R138-W172 HydrophobicContact CB-CD2 3.56Å; R138-W172 HydrophobicContact CB-CE3 3.99Å; R138-W172 HydrophobicContact CB-CG 3.82Å; R138-W172 HydrophobicContact CB-CZ2 4.2Å; R138-W172 HydrophobicContact CB-CZ3 4.5Å; R138-W172 HydrophobicContact CG-CZ2 4.45Å; L166-W172 HydrophobicContact CB-CZ2 4.22Å; L166-W172 HydrophobicContact CD1-CH2 4.13Å; L166-W172 HydrophobicContact CD1-CZ2 4.43Å; F169-W172 HydrophobicContact CB-CZ2 4.37Å; F169-W172 AromaticContact CD1-CD2 3.85Å; F169-W172 HydrophobicContact CD1-CD2 3.85Å; F169-W172 AromaticContact CD1-CE2 3.39Å; F169-W172 HydrophobicContact CD1-CE3 4.39Å; F169-W172 HydrophobicContact CD1-CG 4.32Å; F169-W172 HydrophobicContact CD1-CH2 4.06Å; F169-W172 AromaticContact CD1-CZ2 3.5Å; F169-W172 HydrophobicContact CD1-CZ2 3.5Å; F169-W172 HydrophobicContact CD1-CZ3 4.49Å; F169-W172 AromaticContact CD1-NE1 3.61Å; F169-W172 AromaticContact CE1-CD2 3.98Å; F169-W172 HydrophobicContact CE1-CD2 3.98Å; F169-W172 AromaticContact CE1-CE2 3.99Å; F169-W172 HydrophobicContact CE1-CE3 4.19Å; F169-W172 HydrophobicContact CE1-CG 4.45Å; F169-W172 HydrophobicContact CE1-CH2 4.33Å; F169-W172 HydrophobicContact CE1-CZ2 4.17Å; F169-W172 HydrophobicContact CE1-CZ3 4.37Å; F169-W172 HydrophobicContact CG-CZ2 4.29Å; F169-W172 PolarHBondContact O-NE1 3.44Å; T170-W172 PolarHBondContact O-N 2.92Å; W172-I175 HydrophobicContact CB-CG1 4.21Å | ||
| 173 | D | 97.9 | Very high | 94.8 | Very high | 63 Ų | 63 | 59.8 Ų | 59.8 | 34% | 0.337 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -79.5 | -34.7 | 170.7 | -62.2 | -62.8 | 0 | 0 | 0 | 111 | R131 L135 L136 | R131-D173 IonicContact CZ-OD1 3.55Å; R131-D173 IonicContact CZ-OD2 3.47Å; R131-D173 IonicContact NH1-OD1 3.92Å; R131-D173 PolarHBondContact NH1-OD1 3.22Å; R131-D173 IonicContact NH1-OD2 2.83Å; R131-D173 PolarHBondContact NH1-OD2 2.93Å; R131-D173 VanDerWaalsContact NH2-CG 3.26Å; R131-D173 IonicContact NH2-OD1 2.73Å; R131-D173 PolarHBondContact NH2-OD1 3.14Å; R131-D173 IonicContact NH2-OD2 3.13Å; R131-D173 PolarHBondContact NH2-OD2 3.48Å; R131-D173 VanDerWaalsContact NH2-OD2 3.13Å; L135-D173 WeakPolarHBondContact CA-OD2 3.15Å; L135-D173 HydrophobicContact CD2-CB 4.24Å; L136-D173 PolarHBondContact N-OD2 3.18Å; L136-D173 PolarHBondContact O-N 2.91Å |
| 174 | Y | 97.8 | Very high | 95.1 | Very high | 51 Ų | 51 | 61 Ų | 61 | 20% | 0.2 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 134.5 | 176 | -66.3 | -92.5 | 0 | 0 | 0 | 111.2 | L135 L136 I137 R138 D191 I192 R195 | L135-Y174 HydrophobicContact CD2-CE2 4.3Å; L136-Y174 PolarHBondContact O-N 3.42Å; L136-Y174 VanDerWaalsContact O-N 3.1Å; I137-Y174 WeakPolarHBondContact CA-O 3.17Å; I137-Y174 HydrophobicContact CG1-CD2 4.38Å; R138-Y174 PolarHBondContact N-O 3.12Å; Y174-D191 HydrophobicContact CE1-CB 4.42Å; Y174-I192 HydrophobicContact CD1-CG1 3.95Å; Y174-I192 HydrophobicContact CD2-CG1 4.02Å; Y174-I192 HydrophobicContact CE1-CG1 4.06Å; Y174-I192 HydrophobicContact CE2-CG1 4.14Å; Y174-I192 HydrophobicContact CG-CD1 4.43Å; Y174-I192 HydrophobicContact CG-CG1 3.94Å; Y174-R195 HydrophobicContact CE2-CG 4.32Å; Y174-R195 VanDerWaalsContact OH-CB 3.29Å; Y174-R195 WeakPolarHBondContact OH-CB 3.43Å |
| 175 | I | 96.8 | Very high | 95.2 | Very high | 104 Ų | 104 | 59.3 Ų | 59.3 | 53% | 0.533 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 110.3 | 162.8 | -58.7 | 177.2 | 0 | 0 | 0 | 106.3 | R138 V140 W172 | R138-I175 CarbonylContact O-C 3.54Å; R138-I175 WeakPolarHBondContact O-CA 3.35Å; V140-I175 HydrophobicContact CB-CG2 4.35Å; V140-I175 HydrophobicContact CG1-CG2 3.75Å; V140-I175 HydrophobicContact CG2-CG2 3.61Å; W172-I175 HydrophobicContact CB-CG1 4.21Å |
| 176 | V | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 117 | -176.5 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | I137 R138 I139 V140 F185 H188 I192 | I137-V176 HydrophobicContact CG2-CG2 3.89Å; R138-V176 PolarHBondContact O-N 3.02Å; I139-V176 WeakPolarHBondContact CA-O 3.31Å; I139-V176 HydrophobicContact CD1-CB 3.77Å; I139-V176 HydrophobicContact CD1-CG1 4.32Å; I139-V176 HydrophobicContact CD1-CG2 4.36Å; V140-V176 PolarHBondContact N-O 3.29Å; V176-F185 HydrophobicContact CG1-CD2 3.94Å; V176-F185 HydrophobicContact CG1-CE2 4.06Å; V176-H188 HydrophobicContact CG1-CB 4.06Å; V176-H188 HydrophobicContact CG2-CB 4.24Å; V176-I192 HydrophobicContact CG2-CD1 3.92Å |
| 177 | S | 94.9 | Very high | 95.3 | Very high | 33 Ų | 33 | 67.9 Ų | 67.9 | 23% | 0.231 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 129.5 | 169.4 | -165.2 | 0 | 0 | 0 | 0 | 110 | V140 D179 | V140-S177 CarbonylContact O-C 3.58Å; V140-S177 WeakPolarHBondContact O-CA 3.43Å; S177-D179 VanDerWaalsContact OG-CG 3.22Å; S177-D179 PolarHBondContact OG-OD2 2.99Å |
| 178 | N | 94.4 | Very high | 95.4 | Very high | 7 Ų | 7 | 67.3 Ų | 67.3 | 4% | 0.037 | 36% | 0.362 | C | S | . | . | trans | -119.2 | 64.8 | 170 | -176.9 | -4.1 | 0 | 0 | 0 | 108.7 | S18 G19 I139 V140 T141 R149 F185 | S18-N178 PolarHBondContact O-ND2 2.98Å; G19-N178 WeakPolarHBondContact CA-ND2 3.38Å; G19-N178 PolarHBondContact O-ND2 2.97Å; I139-N178 HydrophobicContact CG2-CB 4.01Å; V140-N178 PolarHBondContact O-N 3.41Å; T141-N178 WeakPolarHBondContact CG2-O 3.31Å; T141-N178 PolarHBondContact OG1-O 3.22Å; T141-N178 VanDerWaalsContact OG1-O 3.12Å; R149-N178 PolarHBondContact NH1-O 3Å; R149-N178 VanDerWaalsContact NH1-O 3.14Å; R149-N178 PolarHBondContact NH2-O 2.97Å; R149-N178 PolarHBondContact NH2-OD1 3.15Å; N178-F185 HydrophobicContact CB-CE2 4.42Å | ||
| 179 | D | 93.1 | Very high | 95.5 | Very high | 62 Ų | 62 | 58.6 Ų | 58.6 | 33% | 0.332 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -95.5 | -9 | -176.6 | 50.6 | 22.1 | 0 | 0 | 0 | 113.9 | P142 S177 D181 | P142-D179 HydrophobicContact CG-CB 4.04Å; S177-D179 VanDerWaalsContact OG-CG 3.22Å; S177-D179 PolarHBondContact OG-OD2 2.99Å; D179-D181 PolarHBondContact OD1-N 3.37Å |
| 180 | G | 90 | Very high | 95.5 | Very high | 51 Ų | 51 | 60 Ų | 60 | 53% | 0.526 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 113.2 | -7.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | E182 | G180-E182 PolarHBondContact O-N 3.34Š|
| 181 | D | 93.8 | Very high | 95.7 | Very high | 81 Ų | 81 | 58.5 Ų | 58.5 | 43% | 0.433 | 32% | 0.318 | S | S | . | . | trans | -73.1 | 91.3 | 168.1 | -173.6 | -19.5 | 0 | 0 | 0 | 110.3 | D179 I183 A184 F185 | D179-D181 PolarHBondContact OD1-N 3.37Å; D181-I183 PolarHBondContact O-N 2.68Å; D181-I183 WeakPolarHBondContact OD1-CB 3.42Å; D181-I183 PolarHBondContact OD1-N 3.07Å; D181-A184 HydrophobicContact CB-CB 4.05Å; D181-A184 VanDerWaalsContact CG-CB 3.49Å; D181-A184 PolarHBondContact O-N 3.2Å; D181-A184 PolarHBondContact OD1-N 2.89Å; D181-A184 WeakPolarHBondContact OD2-CB 3.21Å; D181-F185 WeakPolarHBondContact O-CB 3.38Å; D181-F185 PolarHBondContact O-N 2.86Å | ||
| 182 | E | 93.9 | Very high | 95.8 | Very high | 87 Ų | 87 | 54.8 Ų | 54.8 | 41% | 0.407 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.4 | -25.8 | 179.4 | -76.6 | -67.1 | 144 | 0 | 0 | 113.3 | R26 G180 K186 | R26-E182 IonicContact CZ-OE2 3.21Å; R26-E182 IonicContact NH1-OE1 2.72Å; R26-E182 IonicContact NH1-OE2 2.99Å; R26-E182 PolarHBondContact NH1-OE2 2.72Å; R26-E182 IonicContact NH2-OE2 2.7Å; G180-E182 PolarHBondContact O-N 3.34Å; E182-K186 WeakPolarHBondContact O-CB 3.27Å; E182-K186 PolarHBondContact O-N 3.46Å |
| 183 | I | 95.5 | Very high | 95.8 | Very high | 124 Ų | 124 | 53.4 Ų | 53.4 | 64% | 0.636 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -74.8 | -52.7 | 179.9 | -62 | 175.1 | 0 | 0 | 0 | 109.1 | D181 F185 K186 N187 | D181-I183 PolarHBondContact O-N 2.68Å; D181-I183 WeakPolarHBondContact OD1-CB 3.42Å; D181-I183 PolarHBondContact OD1-N 3.07Å; I183-F185 VanDerWaalsContact C-N 3.31Å; I183-F185 PolarHBondContact O-N 2.77Å; I183-K186 PolarHBondContact O-N 3.46Å; I183-N187 VanDerWaalsContact O-CG 3.26Å; I183-N187 PolarHBondContact O-N 2.99Å; I183-N187 PolarHBondContact O-ND2 3.32Å |
| 184 | A | 94.7 | Very high | 95.7 | Very high | 34 Ų | 34 | 52.6 Ų | 52.6 | 28% | 0.281 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | D181 K186 N187 H188 | D181-A184 HydrophobicContact CB-CB 4.05Å; D181-A184 VanDerWaalsContact CG-CB 3.49Å; D181-A184 PolarHBondContact O-N 3.2Å; D181-A184 PolarHBondContact OD1-N 2.89Å; D181-A184 WeakPolarHBondContact OD2-CB 3.21Å; A184-K186 PolarHBondContact O-N 2.89Å; A184-N187 PolarHBondContact O-N 3.48Å; A184-H188 PolarHBondContact O-CD2 3.24Å; A184-H188 VanDerWaalsContact O-CD2 3.25Å; A184-H188 PolarHBondContact O-N 3.37Å |
| 185 | F | 95.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 1% | 0.013 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.3 | -45.4 | 176.6 | -178.4 | -107 | 0 | 0 | 0 | 112.4 | Y22 T23 R26 V176 N178 D181 I183 N187 H188 L189 | Y22-F185 HydrophobicContact CD1-CE1 4.46Å; Y22-F185 HydrophobicContact CD1-CZ 4.24Å; Y22-F185 AromaticContact CE1-CE1 3.87Å; Y22-F185 HydrophobicContact CE1-CE1 3.87Å; Y22-F185 HydrophobicContact CE1-CZ 4.11Å; T23-F185 HydrophobicContact CG2-CE2 3.71Å; T23-F185 HydrophobicContact CG2-CZ 3.76Å; T23-F185 WeakPolarHBondContact OG1-CE2 3.37Å; R26-F185 HydrophobicContact CB-CE1 4.36Å; R26-F185 HydrophobicContact CG-CE1 4.23Å; V176-F185 HydrophobicContact CG1-CD2 3.94Å; V176-F185 HydrophobicContact CG1-CE2 4.06Å; N178-F185 HydrophobicContact CB-CE2 4.42Å; D181-F185 WeakPolarHBondContact O-CB 3.38Å; D181-F185 PolarHBondContact O-N 2.86Å; I183-F185 VanDerWaalsContact C-N 3.31Å; I183-F185 PolarHBondContact O-N 2.77Å; F185-N187 PolarHBondContact O-N 3.28Å; F185-H188 PolarHBondContact O-N 2.85Å; F185-L189 HydrophobicContact CD1-CD1 4.23Å; F185-L189 HydrophobicContact CE1-CD1 3.6Å; F185-L189 HydrophobicContact CE1-CG 4.29Å; F185-L189 HydrophobicContact CZ-CD1 3.86Å; F185-L189 HydrophobicContact CZ-CG 4.27Å; F185-L189 WeakPolarHBondContact O-CG 3.4Å; F185-L189 PolarHBondContact O-N 3.05Å; F185-L189 VanDerWaalsContact O-N 3.1Å |
| 186 | K | 95.7 | Very high | 95.7 | Very high | 120 Ų | 120 | 49.5 Ų | 49.5 | 52% | 0.522 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64 | -39.9 | 176.8 | -176.6 | -177.6 | 177.9 | -173.3 | 0 | 111.9 | E182 I183 A184 L189 N190 | E182-K186 WeakPolarHBondContact O-CB 3.27Å; E182-K186 PolarHBondContact O-N 3.46Å; I183-K186 PolarHBondContact O-N 3.46Å; A184-K186 PolarHBondContact O-N 2.89Å; K186-L189 PolarHBondContact O-N 3.31Å; K186-N190 VanDerWaalsContact O-CG 3.31Å; K186-N190 PolarHBondContact O-N 3.47Å; K186-N190 PolarHBondContact O-ND2 3.31Å |
| 187 | N | 96.7 | Very high | 95.7 | Very high | 82 Ų | 82 | 53.5 Ų | 53.5 | 44% | 0.439 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 177.2 | -69.9 | -17.8 | 0 | 0 | 0 | 110.9 | I183 A184 F185 L189 N190 D191 | I183-N187 VanDerWaalsContact O-CG 3.26Å; I183-N187 PolarHBondContact O-N 2.99Å; I183-N187 PolarHBondContact O-ND2 3.32Å; A184-N187 PolarHBondContact O-N 3.48Å; F185-N187 PolarHBondContact O-N 3.28Å; N187-L189 VanDerWaalsContact C-N 3.3Å; N187-L189 PolarHBondContact O-N 3.36Å; N187-N190 PolarHBondContact O-N 2.9Å; N187-N190 VanDerWaalsContact O-N 3.1Å; N187-D191 VanDerWaalsContact O-CG 3.3Å; N187-D191 PolarHBondContact O-N 3.45Å |
| 188 | H | 96.5 | Very high | 95.7 | Very high | 59 Ų | 59 | 56.4 Ų | 56.4 | 27% | 0.273 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -54.8 | -44.5 | 173.9 | -79.1 | -58 | 0 | 0 | 0 | 112.9 | V176 A184 F185 D191 I192 | V176-H188 HydrophobicContact CG1-CB 4.06Å; V176-H188 HydrophobicContact CG2-CB 4.24Å; A184-H188 PolarHBondContact O-CD2 3.24Å; A184-H188 VanDerWaalsContact O-CD2 3.25Å; A184-H188 PolarHBondContact O-N 3.37Å; F185-H188 PolarHBondContact O-N 2.85Å; H188-D191 PolarHBondContact O-N 3.16Å; H188-I192 WeakPolarHBondContact O-CD1 3.31Å; H188-I192 VanDerWaalsContact O-CG1 3.26Å; H188-I192 WeakPolarHBondContact O-CG1 3.26Å; H188-I192 PolarHBondContact O-N 3.15Å |
| 189 | L | 97.2 | Very high | 95.6 | Very high | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65 | -39.4 | 177.9 | -69.1 | -172.9 | 0 | 0 | 0 | 112.7 | T23 R26 L27 L30 F185 K186 N187 D191 I192 V193 | T23-L189 HydrophobicContact CG2-CD2 3.95Å; R26-L189 HydrophobicContact CB-CD1 3.69Å; L27-L189 HydrophobicContact CB-CD2 4.27Å; L30-L189 HydrophobicContact CD2-CB 4.03Å; F185-L189 HydrophobicContact CD1-CD1 4.23Å; F185-L189 HydrophobicContact CE1-CD1 3.6Å; F185-L189 HydrophobicContact CE1-CG 4.29Å; F185-L189 HydrophobicContact CZ-CD1 3.86Å; F185-L189 HydrophobicContact CZ-CG 4.27Å; F185-L189 WeakPolarHBondContact O-CG 3.4Å; F185-L189 PolarHBondContact O-N 3.05Å; F185-L189 VanDerWaalsContact O-N 3.1Å; K186-L189 PolarHBondContact O-N 3.31Å; N187-L189 VanDerWaalsContact C-N 3.3Å; N187-L189 PolarHBondContact O-N 3.36Å; L189-D191 VanDerWaalsContact C-N 3.35Å; L189-I192 HydrophobicContact CD2-CD1 4.34Å; L189-I192 PolarHBondContact O-N 3.41Å; L189-V193 WeakPolarHBondContact O-CG2 3.25Å; L189-V193 PolarHBondContact O-N 3.4Å |
| 190 | N | 97.5 | Very high | 95.5 | Very high | 65 Ų | 65 | 57.6 Ų | 57.6 | 35% | 0.348 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 175.8 | -70.5 | -30.2 | 0 | 0 | 0 | 111.3 | K186 N187 V193 A194 | K186-N190 VanDerWaalsContact O-CG 3.31Å; K186-N190 PolarHBondContact O-N 3.47Å; K186-N190 PolarHBondContact O-ND2 3.31Å; N187-N190 PolarHBondContact O-N 2.9Å; N187-N190 VanDerWaalsContact O-N 3.1Å; N190-V193 PolarHBondContact O-N 3.07Å; N190-A194 PolarHBondContact O-N 3.41Å |
| 191 | D | 97.7 | Very high | 95.3 | Very high | 87 Ų | 87 | 63.6 Ų | 63.6 | 47% | 0.465 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 177.2 | -66.1 | -18.4 | 0 | 0 | 0 | 111.3 | Y174 N187 H188 L189 V193 A194 R195 | Y174-D191 HydrophobicContact CE1-CB 4.42Å; N187-D191 VanDerWaalsContact O-CG 3.3Å; N187-D191 PolarHBondContact O-N 3.45Å; H188-D191 PolarHBondContact O-N 3.16Å; L189-D191 VanDerWaalsContact C-N 3.35Å; D191-V193 VanDerWaalsContact C-N 3.33Å; D191-V193 PolarHBondContact O-N 3.44Å; D191-A194 PolarHBondContact O-N 3.19Å; D191-R195 WeakPolarHBondContact O-CB 3.38Å; D191-R195 PolarHBondContact O-N 3.46Å |
| 192 | I | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 174.2 | -70.7 | 158.6 | 0 | 0 | 0 | 110.6 | L27 I137 Y174 V176 H188 L189 R195 I196 | L27-I192 HydrophobicContact CD1-CG2 4Å; L27-I192 HydrophobicContact CD2-CG2 4.09Å; I137-I192 HydrophobicContact CD1-CD1 3.8Å; I137-I192 HydrophobicContact CD1-CG1 4.05Å; I137-I192 HydrophobicContact CD1-CG2 3.88Å; Y174-I192 HydrophobicContact CD1-CG1 3.95Å; Y174-I192 HydrophobicContact CD2-CG1 4.02Å; Y174-I192 HydrophobicContact CE1-CG1 4.06Å; Y174-I192 HydrophobicContact CE2-CG1 4.14Å; Y174-I192 HydrophobicContact CG-CD1 4.43Å; Y174-I192 HydrophobicContact CG-CG1 3.94Å; V176-I192 HydrophobicContact CG2-CD1 3.92Å; H188-I192 WeakPolarHBondContact O-CD1 3.31Å; H188-I192 VanDerWaalsContact O-CG1 3.26Å; H188-I192 WeakPolarHBondContact O-CG1 3.26Å; H188-I192 PolarHBondContact O-N 3.15Å; L189-I192 HydrophobicContact CD2-CD1 4.34Å; L189-I192 PolarHBondContact O-N 3.41Å; I192-R195 PolarHBondContact O-N 3.37Å; I192-I196 HydrophobicContact CG2-CD1 3.82Å; I192-I196 HydrophobicContact CG2-CG1 4.44Å; I192-I196 VanDerWaalsContact O-CG1 3.25Å; I192-I196 WeakPolarHBondContact O-CG1 3.46Å; I192-I196 PolarHBondContact O-N 3.31Å |
| 193 | V | 97.7 | Very high | 92.6 | Very high | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.03 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.3 | -40.4 | 177.9 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | L27 L30 L31 N34 L189 N190 D191 R195 I196 K197 | L27-V193 HydrophobicContact CD1-CG2 3.57Å; L30-V193 HydrophobicContact CB-CG2 4.38Å; L30-V193 HydrophobicContact CD2-CB 4.36Å; L30-V193 HydrophobicContact CD2-CG2 3.62Å; L30-V193 HydrophobicContact CG-CG2 3.87Å; L31-V193 HydrophobicContact CD2-CG1 4.45Å; L31-V193 HydrophobicContact CD2-CG2 3.89Å; L31-V193 HydrophobicContact CG-CG2 4.39Å; N34-V193 HydrophobicContact CB-CG1 4.5Å; L189-V193 WeakPolarHBondContact O-CG2 3.25Å; L189-V193 PolarHBondContact O-N 3.4Å; N190-V193 PolarHBondContact O-N 3.07Å; D191-V193 VanDerWaalsContact C-N 3.33Å; D191-V193 PolarHBondContact O-N 3.44Å; V193-R195 VanDerWaalsContact C-N 3.32Å; V193-I196 PolarHBondContact O-N 2.92Å; V193-K197 WeakPolarHBondContact O-CG 3.3Å; V193-K197 PolarHBondContact O-N 2.79Å |
| 194 | A | 97.2 | Very high | 92.5 | Very high | 45 Ų | 45 | 63.2 Ų | 63.2 | 37% | 0.372 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | N190 D191 I196 K197 E198 | N190-A194 PolarHBondContact O-N 3.41Å; D191-A194 PolarHBondContact O-N 3.19Å; A194-I196 PolarHBondContact O-N 3.29Å; A194-K197 WeakPolarHBondContact O-CB 3.49Å; A194-K197 PolarHBondContact O-N 3.48Å; A194-K197 VanDerWaalsContact O-N 3.15Å; A194-E198 PolarHBondContact O-N 2.6Å |
| 195 | R | 97.3 | Very high | 92.3 | Very high | 91 Ų | 91 | 64.7 Ų | 64.7 | 34% | 0.343 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 177.8 | -174.7 | 59 | 178.5 | 162.5 | 0.5 | 113 | L135 Y174 D191 I192 V193 K197 E198 L199 | L135-R195 HydrophobicContact CD1-CB 4.38Å; L135-R195 HydrophobicContact CD1-CG 3.96Å; L135-R195 HydrophobicContact CD2-CG 3.83Å; Y174-R195 HydrophobicContact CE2-CG 4.32Å; Y174-R195 VanDerWaalsContact OH-CB 3.29Å; Y174-R195 WeakPolarHBondContact OH-CB 3.43Å; D191-R195 WeakPolarHBondContact O-CB 3.38Å; D191-R195 PolarHBondContact O-N 3.46Å; I192-R195 PolarHBondContact O-N 3.37Å; V193-R195 VanDerWaalsContact C-N 3.32Å; R195-K197 VanDerWaalsContact C-N 3.29Å; R195-K197 PolarHBondContact O-N 2.86Å; R195-E198 WeakPolarHBondContact CD-OE2 3.25Å; R195-E198 IonicContact CZ-OE2 3.83Å; R195-E198 IonicContact NH1-OE2 2.82Å; R195-E198 PolarHBondContact NH1-OE2 3.48Å; R195-E198 WeakPolarHBondContact O-CB 3.32Å; R195-E198 PolarHBondContact O-N 3.09Å; R195-L199 WeakPolarHBondContact O-CG 3.18Å; R195-L199 PolarHBondContact O-N 3.4Å |
| 196 | I | 96.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.3 | -45.3 | 173.3 | -73.6 | 166.3 | 0 | 0 | 0 | 110.3 | V8 V10 L31 L36 I110 L135 I192 V193 A194 E198 L199 R200 | V8-I196 HydrophobicContact CG1-CG1 4.35Å; V10-I196 HydrophobicContact CG2-CD1 3.88Å; V10-I196 HydrophobicContact CG2-CG1 4.17Å; L31-I196 HydrophobicContact CD1-CD1 4.49Å; L31-I196 HydrophobicContact CD2-CD1 3.91Å; L31-I196 HydrophobicContact CD2-CG2 4.29Å; L36-I196 HydrophobicContact CD1-CG2 4.34Å; I110-I196 HydrophobicContact CD1-CG2 3.94Å; I110-I196 HydrophobicContact CG1-CG2 3.63Å; L135-I196 HydrophobicContact CD1-CG1 3.64Å; I192-I196 HydrophobicContact CG2-CD1 3.82Å; I192-I196 HydrophobicContact CG2-CG1 4.44Å; I192-I196 VanDerWaalsContact O-CG1 3.25Å; I192-I196 WeakPolarHBondContact O-CG1 3.46Å; I192-I196 PolarHBondContact O-N 3.31Å; V193-I196 PolarHBondContact O-N 2.92Å; A194-I196 PolarHBondContact O-N 3.29Å; I196-E198 VanDerWaalsContact C-N 3.3Å; I196-E198 PolarHBondContact O-N 3.45Å; I196-L199 PolarHBondContact O-N 2.88Å; I196-R200 WeakPolarHBondContact O-CG 3.42Å; I196-R200 PolarHBondContact O-N 3.32Å |
| 197 | K | 95.4 | Very high | 92 | Very high | 83 Ų | 83 | 65.1 Ų | 65.1 | 36% | 0.361 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.8 | -35.3 | 178 | -70.7 | 173.8 | 178.8 | -178.1 | 0 | 112.6 | N34 L36 V193 A194 R195 K201 | N34-K197 WeakPolarHBondContact OD1-CE 3.41Å; N34-K197 PolarHBondContact OD1-NZ 3.18Å; L36-K197 HydrophobicContact CD1-CG 4.24Å; V193-K197 WeakPolarHBondContact O-CG 3.3Å; V193-K197 PolarHBondContact O-N 2.79Å; A194-K197 WeakPolarHBondContact O-CB 3.49Å; A194-K197 PolarHBondContact O-N 3.48Å; A194-K197 VanDerWaalsContact O-N 3.15Å; R195-K197 VanDerWaalsContact C-N 3.29Å; R195-K197 PolarHBondContact O-N 2.86Å; K197-K201 WeakPolarHBondContact O-CG 3.43Å; K197-K201 PolarHBondContact O-N 2.71Å |
| 198 | E | 94.8 | Very high | 91.7 | Very high | 94 Ų | 94 | 64 Ų | 64 | 44% | 0.439 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.3 | -49.9 | 174.2 | -69.1 | 172.4 | -178.5 | 0 | 0 | 111.7 | A194 R195 I196 R200 K201 L202 | A194-E198 PolarHBondContact O-N 2.6Å; R195-E198 WeakPolarHBondContact CD-OE2 3.25Å; R195-E198 IonicContact CZ-OE2 3.83Å; R195-E198 IonicContact NH1-OE2 2.82Å; R195-E198 PolarHBondContact NH1-OE2 3.48Å; R195-E198 WeakPolarHBondContact O-CB 3.32Å; R195-E198 PolarHBondContact O-N 3.09Å; I196-E198 VanDerWaalsContact C-N 3.3Å; I196-E198 PolarHBondContact O-N 3.45Å; E198-R200 PolarHBondContact O-N 3.26Å; E198-K201 WeakPolarHBondContact O-CB 3.47Å; E198-K201 PolarHBondContact O-N 3.41Å; E198-L202 PolarHBondContact O-N 3.34Å |
| 199 | L | 94 | Very high | 91.3 | Very high | 10 Ų | 10 | 64.3 Ų | 64.3 | 5% | 0.052 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.3 | -35.5 | -179.8 | -68.8 | -176.3 | 0 | 0 | 0 | 112.2 | V8 S132 L135 R195 I196 K201 L202 S203 | V8-L199 HydrophobicContact CG1-CB 4.48Å; V8-L199 HydrophobicContact CG1-CD1 4.06Å; V8-L199 HydrophobicContact CG2-CB 3.75Å; S132-L199 VanDerWaalsContact O-CD2 3.31Å; S132-L199 WeakPolarHBondContact O-CD2 3.23Å; L135-L199 HydrophobicContact CD1-CD1 3.93Å; L135-L199 HydrophobicContact CD2-CD1 3.7Å; L135-L199 HydrophobicContact CG-CD1 3.55Å; R195-L199 WeakPolarHBondContact O-CG 3.18Å; R195-L199 PolarHBondContact O-N 3.4Å; I196-L199 PolarHBondContact O-N 2.88Å; L199-K201 VanDerWaalsContact C-N 3.31Å; L199-K201 PolarHBondContact O-N 3.08Å; L199-L202 PolarHBondContact O-N 3.15Å; L199-S203 PolarHBondContact O-N 3.13Å |
| 200 | R | 90.5 | Very high | 90.9 | Very high | 84 Ų | 84 | 68.6 Ų | 68.6 | 32% | 0.317 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67 | -24.7 | 174.7 | -76.3 | -162.6 | 67.6 | -158.4 | 0.5 | 114.9 | V8 D109 I196 E198 L202 S203 | V8-R200 HydrophobicContact CG2-CG 3.6Å; D109-R200 IonicContact OD1-CZ 2.86Å; D109-R200 IonicContact OD1-NE 3.94Å; D109-R200 IonicContact OD1-NH1 2.64Å; D109-R200 PolarHBondContact OD1-NH1 3.44Å; D109-R200 IonicContact OD1-NH2 2.93Å; D109-R200 PolarHBondContact OD1-NH2 2.68Å; D109-R200 IonicContact OD2-NH1 3.03Å; I196-R200 WeakPolarHBondContact O-CG 3.42Å; I196-R200 PolarHBondContact O-N 3.32Å; E198-R200 PolarHBondContact O-N 3.26Å; R200-L202 VanDerWaalsContact C-N 3.34Å; R200-S203 PolarHBondContact O-OG 3.05Å |
| 201 | K | 84.9 | Confident | 90.4 | Very high | 177 Ų | 177 | 68.9 Ų | 68.9 | 77% | 0.77 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -81.4 | -19.5 | 176.3 | -69.3 | 174.2 | -175.7 | -178.5 | 0 | 112.2 | K197 E198 L199 | K197-K201 WeakPolarHBondContact O-CG 3.43Å; K197-K201 PolarHBondContact O-N 2.71Å; E198-K201 WeakPolarHBondContact O-CB 3.47Å; E198-K201 PolarHBondContact O-N 3.41Å; L199-K201 VanDerWaalsContact C-N 3.31Å; L199-K201 PolarHBondContact O-N 3.08Å |
| 202 | L | 72.7 | Confident | 89.8 | Confident | 143 Ų | 143 | 67.4 Ų | 67.4 | 75% | 0.749 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -91.1 | -12.2 | 179.8 | -62 | 174.9 | 0 | 0 | 0 | 112.8 | E198 L199 R200 | E198-L202 PolarHBondContact O-N 3.34Å; L199-L202 PolarHBondContact O-N 3.15Å; R200-L202 VanDerWaalsContact C-N 3.34Å |
| 203 | S | 58.6 | Low | 89.1 | Confident | 77 Ų | 77 | 73.5 Ų | 73.5 | 54% | 0.538 | 36% | 0.361 | S | S | . | . | trans | -92.9 | 0 | 178 | 62.9 | 0 | 0 | 0 | 0 | 112.1 | L199 R200 | L199-S203 PolarHBondContact O-N 3.13Å; R200-S203 PolarHBondContact O-OG 3.05Å |
Retrieved 203 of 203 residues in 466.3 ms
(Link to these results)