| 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 | 36.5 | Very low | 58.8 | Low | 254 Ų | 254 | 93 Ų | 93 | 100% | 1.251 | 59% | 0.59 | S | S | * | * | 0 | 92.1 | 0 | -66.9 | 177.7 | -178.8 | 0 | 0 | 106.5 | |||||
| 2 | G | 34.5 | Very low | 61.8 | Low | 73 Ų | 73 | 91.5 Ų | 91.5 | 75% | 0.753 | 57% | 0.568 | S | S | * | * | cis | 105.7 | 87 | 39.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 3 | V | 37.4 | Very low | 64.4 | Low | 137 Ų | 137 | 84.8 Ų | 84.8 | 83% | 0.83 | 53% | 0.526 | S | S | * | . | trans | 68.4 | 90 | 176.1 | -161.2 | 0 | 0 | 0 | 0 | 115.8 | S5 | V3-S5 PolarHBondContact O-N 3.47Å; V3-S5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | A | 41.6 | Very low | 66.6 | Low | 81 Ų | 81 | 84.4 Ų | 84.4 | 67% | 0.669 | 52% | 0.523 | S | S | * | . | trans | -64.8 | 103.4 | 153.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | N6 | A4-N6 PolarHBondContact O-N 3.1Š| ||
| 5 | S | 45.5 | Very low | 68.7 | Low | 50 Ų | 50 | 82.7 Ų | 82.7 | 35% | 0.35 | 51% | 0.509 | S | S | . | . | trans | -59.8 | 138 | 170.4 | 74.9 | 0 | 0 | 0 | 0 | 108.2 | V3 N7 G8 | V3-S5 PolarHBondContact O-N 3.47Å; V3-S5 VanDerWaalsContact O-N 3.08Å; S5-N7 PolarHBondContact O-N 3.28Å; S5-G8 PolarHBondContact O-N 2.83Å | ||
| 6 | N | 51.9 | Low | 70.5 | Confident | 164 Ų | 164 | 77.6 Ų | 77.6 | 88% | 0.877 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -10.3 | 176.6 | -89.2 | -13.1 | 0 | 0 | 0 | 114.4 | A4 | A4-N6 PolarHBondContact O-N 3.1Š|
| 7 | N | 62.2 | Low | 72 | Confident | 107 Ų | 107 | 74.2 Ų | 74.2 | 57% | 0.572 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -3.4 | -179.5 | -63.9 | -8.4 | 0 | 0 | 0 | 113.9 | S5 I9 K232 | S5-N7 PolarHBondContact O-N 3.28Å; N7-I9 VanDerWaalsContact C-N 3.28Å; N7-I9 HydrophobicContact CB-CD1 4.39Å; N7-I9 HydrophobicContact CB-CG1 4.47Å; N7-I9 PolarHBondContact O-N 3.18Å; N7-K232 WeakPolarHBondContact O-CE 3.11Å; N7-K232 PolarHBondContact O-NZ 3.47Å |
| 8 | G | 70 | Confident | 73.4 | Confident | 9 Ų | 9 | 75.7 Ų | 75.7 | 9% | 0.093 | 46% | 0.46 | C | S | . | . | trans | 76.5 | 10.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | S5 | S5-G8 PolarHBondContact O-N 2.83Š| ||
| 9 | I | 82.9 | Confident | 74.7 | Confident | 64 Ų | 64 | 72.4 Ų | 72.4 | 33% | 0.328 | 44% | 0.44 | S | S | . | . | B | Isolated β-bridge | trans | -92.4 | 121 | 180 | -61.2 | 173 | 0 | 0 | 0 | 109 | N7 L13 V14 L150 | N7-I9 VanDerWaalsContact C-N 3.28Å; N7-I9 HydrophobicContact CB-CD1 4.39Å; N7-I9 HydrophobicContact CB-CG1 4.47Å; N7-I9 PolarHBondContact O-N 3.18Å; I9-L13 HydrophobicContact CG2-CD2 4.47Å; I9-V14 HydrophobicContact CG2-CG2 3.43Å; I9-V14 VanDerWaalsContact CG2-CG2 3.43Å; I9-L150 HydrophobicContact CD1-CD1 4.39Å; I9-L150 HydrophobicContact CG1-CD1 4.12Å |
| 10 | T | 91.2 | Very high | 75.8 | Confident | 23 Ų | 23 | 68.8 Ų | 68.8 | 14% | 0.141 | 42% | 0.418 | C | S | . | . | trans | -88.2 | 152.7 | 176.9 | 72.1 | 0 | 0 | 0 | 0 | 111.9 | K12 L13 V14 Q228 V231 | T10-K12 PolarHBondContact O-N 3.02Å; T10-L13 WeakPolarHBondContact O-CB 3.41Å; T10-L13 PolarHBondContact O-N 2.72Å; T10-L13 VanDerWaalsContact O-N 3.17Å; T10-L13 VanDerWaalsContact OG1-CB 3.32Å; T10-L13 WeakPolarHBondContact OG1-CB 3.41Å; T10-L13 PolarHBondContact OG1-N 3.12Å; T10-V14 WeakPolarHBondContact O-CG2 3.36Å; T10-V14 PolarHBondContact O-N 3.3Å; T10-V14 VanDerWaalsContact O-N 3.08Å; T10-Q228 VanDerWaalsContact CB-O 3.29Å; T10-Q228 WeakPolarHBondContact CB-O 3.28Å; T10-Q228 WeakPolarHBondContact CG2-O 3.43Å; T10-Q228 PolarHBondContact OG1-O 2.71Å; T10-V231 HydrophobicContact CG2-CG2 3.34Å | ||
| 11 | G | 92.9 | Very high | 76.9 | Confident | 61 Ų | 61 | 66.1 Ų | 66.1 | 63% | 0.629 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -60.5 | -31 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L15 | G11-L15 WeakPolarHBondContact O-CB 3.34Å; G11-L15 PolarHBondContact O-N 2.77Å |
| 12 | K | 94.9 | Very high | 79.7 | Confident | 75 Ų | 75 | 57.2 Ų | 57.2 | 33% | 0.326 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69.3 | -39.3 | 174.6 | -79.9 | -68.9 | -174.5 | -173.9 | 0 | 112.3 | T10 T16 F204 Q228 | T10-K12 PolarHBondContact O-N 3.02Å; K12-T16 VanDerWaalsContact O-CB 3.31Å; K12-T16 WeakPolarHBondContact O-CB 3.36Å; K12-T16 PolarHBondContact O-N 3.13Å; K12-T16 PolarHBondContact O-OG1 3.07Å; K12-F204 PolarHBondContact NZ-O 2.58Å; K12-Q228 HydrophobicContact CB-CB 4.36Å; K12-Q228 WeakPolarHBondContact CB-O 3.42Å; K12-Q228 HydrophobicContact CG-CB 4.4Å |
| 13 | L | 95.8 | Very high | 82.5 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.6 | -50 | 173.7 | 178.7 | 63.6 | 0 | 0 | 0 | 110.4 | I9 T10 L15 T16 V17 V145 P147 I154 L229 | I9-L13 HydrophobicContact CG2-CD2 4.47Å; T10-L13 WeakPolarHBondContact O-CB 3.41Å; T10-L13 PolarHBondContact O-N 2.72Å; T10-L13 VanDerWaalsContact O-N 3.17Å; T10-L13 VanDerWaalsContact OG1-CB 3.32Å; T10-L13 WeakPolarHBondContact OG1-CB 3.41Å; T10-L13 PolarHBondContact OG1-N 3.12Å; L13-L15 PolarHBondContact O-N 3.17Å; L13-T16 PolarHBondContact O-N 3.15Å; L13-V17 HydrophobicContact CD1-CG2 4.1Å; L13-V17 HydrophobicContact CG-CG2 4.48Å; L13-V17 WeakPolarHBondContact O-CG2 3.5Å; L13-V17 PolarHBondContact O-N 3.49Å; L13-V145 HydrophobicContact CD1-CG2 4.21Å; L13-V145 WeakPolarHBondContact CD1-O 3.31Å; L13-P147 HydrophobicContact CD2-CG 3.96Å; L13-I154 HydrophobicContact CD1-CD1 4.26Å; L13-I154 HydrophobicContact CD2-CD1 4.19Å; L13-I154 HydrophobicContact CG-CD1 4.49Å; L13-L229 HydrophobicContact CB-CD2 4.16Å; L13-L229 HydrophobicContact CD1-CD2 3.98Å |
| 14 | V | 96 | Very high | 85.3 | Confident | 79 Ų | 79 | 47.3 Ų | 47.3 | 48% | 0.479 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.7 | -48.8 | 178.6 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | I9 T10 T16 V17 L18 | I9-V14 HydrophobicContact CG2-CG2 3.43Å; I9-V14 VanDerWaalsContact CG2-CG2 3.43Å; T10-V14 WeakPolarHBondContact O-CG2 3.36Å; T10-V14 PolarHBondContact O-N 3.3Å; T10-V14 VanDerWaalsContact O-N 3.08Å; V14-T16 VanDerWaalsContact C-N 3.34Å; V14-T16 PolarHBondContact O-N 3.41Å; V14-V17 PolarHBondContact O-N 3.02Å; V14-L18 VanDerWaalsContact O-CB 3.24Å; V14-L18 WeakPolarHBondContact O-CB 3.3Å; V14-L18 PolarHBondContact O-N 3.4Å |
| 15 | L | 97.1 | Very high | 88 | Confident | 60 Ų | 60 | 43.4 Ų | 43.4 | 31% | 0.314 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.7 | -45.9 | 177.8 | 179.9 | 64.9 | 0 | 0 | 0 | 111.6 | G11 L13 L18 I19 T201 | G11-L15 WeakPolarHBondContact O-CB 3.34Å; G11-L15 PolarHBondContact O-N 2.77Å; L13-L15 PolarHBondContact O-N 3.17Å; L15-L18 PolarHBondContact O-N 2.8Å; L15-I19 WeakPolarHBondContact O-CB 3.44Å; L15-I19 VanDerWaalsContact O-CG2 3.22Å; L15-I19 WeakPolarHBondContact O-CG2 3.44Å; L15-I19 PolarHBondContact O-N 3.47Å; L15-T201 HydrophobicContact CD1-CG2 3.96Å |
| 16 | T | 97.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.3 | -44.4 | -178.4 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | K12 L13 V14 T20 Y141 V145 C205 | K12-T16 VanDerWaalsContact O-CB 3.31Å; K12-T16 WeakPolarHBondContact O-CB 3.36Å; K12-T16 PolarHBondContact O-N 3.13Å; K12-T16 PolarHBondContact O-OG1 3.07Å; L13-T16 PolarHBondContact O-N 3.15Å; V14-T16 VanDerWaalsContact C-N 3.34Å; V14-T16 PolarHBondContact O-N 3.41Å; T16-T20 VanDerWaalsContact O-CB 3.26Å; T16-T20 WeakPolarHBondContact O-CB 3.17Å; T16-T20 PolarHBondContact O-N 3.48Å; T16-T20 VanDerWaalsContact O-N 3.15Å; T16-T20 PolarHBondContact O-OG1 3.33Å; T16-Y141 HydrophobicContact CG2-CD1 4.46Å; T16-Y141 HydrophobicContact CG2-CE1 3.62Å; T16-Y141 HydrophobicContact CG2-CE2 4.16Å; T16-Y141 VanDerWaalsContact CG2-CZ 3.43Å; T16-Y141 VanDerWaalsContact CG2-OH 3.29Å; T16-Y141 WeakPolarHBondContact CG2-OH 3.19Å; T16-V145 HydrophobicContact CG2-CG1 4.24Å; T16-V145 HydrophobicContact CG2-CG2 4.2Å; T16-C205 HydrophobicContact CG2-CB 4.25Å |
| 17 | V | 96.9 | Very high | 92.6 | Very high | 20 Ų | 20 | 34.4 Ų | 34.4 | 12% | 0.121 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.4 | -50.6 | 177.3 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | L13 V14 I19 T20 C21 L142 I154 C157 | L13-V17 HydrophobicContact CD1-CG2 4.1Å; L13-V17 HydrophobicContact CG-CG2 4.48Å; L13-V17 WeakPolarHBondContact O-CG2 3.5Å; L13-V17 PolarHBondContact O-N 3.49Å; V14-V17 PolarHBondContact O-N 3.02Å; V17-I19 PolarHBondContact O-N 3Å; V17-T20 PolarHBondContact O-N 3.35Å; V17-C21 VanDerWaalsContact O-CB 3.28Å; V17-C21 WeakPolarHBondContact O-CB 3.23Å; V17-C21 PolarHBondContact O-N 3.16Å; V17-C21 PolarHBondContact O-SG 3.31Å; V17-L142 HydrophobicContact CB-CD2 4.11Å; V17-L142 HydrophobicContact CG1-CD2 3.92Å; V17-L142 HydrophobicContact CG2-CD2 4.02Å; V17-I154 HydrophobicContact CG1-CG2 4.34Å; V17-I154 HydrophobicContact CG2-CD1 4.48Å; V17-I154 HydrophobicContact CG2-CG1 4.45Å; V17-I154 HydrophobicContact CG2-CG2 3.56Å; V17-C157 HydrophobicContact CG1-CB 4.38Å |
| 18 | L | 96.9 | Very high | 94.2 | Very high | 102 Ų | 102 | 29.5 Ų | 29.5 | 53% | 0.534 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.2 | -48.5 | -178.2 | -175.4 | 73 | 0 | 0 | 0 | 111.5 | V14 L15 T20 C21 V22 | V14-L18 VanDerWaalsContact O-CB 3.24Å; V14-L18 WeakPolarHBondContact O-CB 3.3Å; V14-L18 PolarHBondContact O-N 3.4Å; L15-L18 PolarHBondContact O-N 2.8Å; L18-T20 PolarHBondContact O-N 3.17Å; L18-C21 PolarHBondContact O-N 2.97Å; L18-V22 HydrophobicContact CD1-CG2 4.05Å; L18-V22 HydrophobicContact CG-CG2 4.34Å; L18-V22 WeakPolarHBondContact O-CB 3.47Å; L18-V22 WeakPolarHBondContact O-CG2 3.23Å; L18-V22 PolarHBondContact O-N 3.2Å |
| 19 | I | 97.6 | Very high | 95.4 | Very high | 13 Ų | 13 | 29 Ų | 29 | 7% | 0.067 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.6 | -32.3 | -176.4 | -162 | 63.6 | 0 | 0 | 0 | 112.9 | L15 V17 G23 I197 T201 L202 | L15-I19 WeakPolarHBondContact O-CB 3.44Å; L15-I19 VanDerWaalsContact O-CG2 3.22Å; L15-I19 WeakPolarHBondContact O-CG2 3.44Å; L15-I19 PolarHBondContact O-N 3.47Å; V17-I19 PolarHBondContact O-N 3Å; I19-G23 WeakPolarHBondContact O-CA 3.33Å; I19-G23 PolarHBondContact O-N 3.41Å; I19-I197 HydrophobicContact CD1-CG2 4.15Å; I19-T201 HydrophobicContact CB-CG2 4.29Å; I19-T201 HydrophobicContact CD1-CG2 3.83Å; I19-T201 HydrophobicContact CG1-CG2 3.77Å; I19-L202 HydrophobicContact CG1-CG 4.41Å; I19-L202 HydrophobicContact CG2-CD2 3.71Å; I19-L202 HydrophobicContact CG2-CG 4.27Å |
| 20 | T | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.2 | -38 | 174.3 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | T16 V17 L18 S24 S25 L94 A138 Y141 L142 | T16-T20 VanDerWaalsContact O-CB 3.26Å; T16-T20 WeakPolarHBondContact O-CB 3.17Å; T16-T20 PolarHBondContact O-N 3.48Å; T16-T20 VanDerWaalsContact O-N 3.15Å; T16-T20 PolarHBondContact O-OG1 3.33Å; V17-T20 PolarHBondContact O-N 3.35Å; L18-T20 PolarHBondContact O-N 3.17Å; T20-S24 WeakPolarHBondContact O-CB 3.41Å; T20-S24 PolarHBondContact O-N 3.42Å; T20-S25 PolarHBondContact O-N 3.23Å; T20-S25 VanDerWaalsContact O-N 3.1Å; T20-S25 PolarHBondContact O-OG 3.4Å; T20-L94 HydrophobicContact CG2-CD1 3.86Å; T20-A138 HydrophobicContact CG2-CB 3.91Å; T20-Y141 HydrophobicContact CG2-CD1 3.93Å; T20-Y141 VanDerWaalsContact OG1-CD1 3.22Å; T20-Y141 WeakPolarHBondContact OG1-CD1 3.12Å; T20-Y141 WeakPolarHBondContact OG1-CE1 3.43Å; T20-L142 HydrophobicContact CG2-CD1 4.24Å; T20-L142 HydrophobicContact CG2-CD2 4.16Å; T20-L142 HydrophobicContact CG2-CG 3.9Å |
| 21 | C | 97.6 | Very high | 96.4 | Very high | 13 Ų | 13 | 25.2 Ų | 25.2 | 9% | 0.088 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -68.5 | -61.3 | 176.7 | -71.3 | 0 | 0 | 0 | 0 | 111.3 | V17 L18 S25 F26 C157 A161 | V17-C21 VanDerWaalsContact O-CB 3.28Å; V17-C21 WeakPolarHBondContact O-CB 3.23Å; V17-C21 PolarHBondContact O-N 3.16Å; V17-C21 PolarHBondContact O-SG 3.31Å; L18-C21 PolarHBondContact O-N 2.97Å; C21-S25 WeakPolarHBondContact O-CB 3.47Å; C21-S25 PolarHBondContact O-N 3.13Å; C21-S25 VanDerWaalsContact O-N 3.15Å; C21-F26 WeakPolarHBondContact O-CB 3.46Å; C21-F26 PolarHBondContact O-N 2.93Å; C21-C157 VanDerWaalsContact SG-CB 3.58Å; C21-A161 HydrophobicContact CB-CB 3.78Å; C21-A161 WeakPolarHBondContact O-CB 3.4Å |
| 22 | V | 95.9 | Very high | 96.4 | Very high | 67 Ų | 67 | 25.1 Ų | 25.1 | 41% | 0.406 | 14% | 0.135 | S | C | . | . | I | π-helix | trans | -68.1 | -40.9 | -176.4 | 175.7 | 0 | 0 | 0 | 0 | 111.8 | L18 F26 P194 | L18-V22 HydrophobicContact CD1-CG2 4.05Å; L18-V22 HydrophobicContact CG-CG2 4.34Å; L18-V22 WeakPolarHBondContact O-CB 3.47Å; L18-V22 WeakPolarHBondContact O-CG2 3.23Å; L18-V22 PolarHBondContact O-N 3.2Å; V22-F26 WeakPolarHBondContact O-CB 3.5Å; V22-P194 WeakPolarHBondContact O-CB 3.16Å |
| 23 | G | 94.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | I | π-helix | trans | -77.7 | -28.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | I19 S198 | I19-G23 WeakPolarHBondContact O-CA 3.33Å; I19-G23 PolarHBondContact O-N 3.41Å; G23-S198 VanDerWaalsContact CA-CB 3.42Å |
| 24 | S | 95.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | I | π-helix | trans | -129.5 | -58.3 | -171.7 | -46.6 | 0 | 0 | 0 | 0 | 111.4 | T20 F26 L27 I28 N98 T134 | T20-S24 WeakPolarHBondContact O-CB 3.41Å; T20-S24 PolarHBondContact O-N 3.42Å; S24-F26 PolarHBondContact O-N 2.99Å; S24-L27 VanDerWaalsContact O-CB 3.26Å; S24-L27 WeakPolarHBondContact O-CB 3.5Å; S24-L27 PolarHBondContact O-N 3.36Å; S24-I28 PolarHBondContact O-N 3.23Å; S24-N98 PolarHBondContact OG-OD1 3.22Å; S24-T134 VanDerWaalsContact C-CG2 3.5Å; S24-T134 VanDerWaalsContact CB-CG2 3.49Å; S24-T134 WeakPolarHBondContact O-CG2 3.4Å |
| 25 | S | 97 | Very high | 96.4 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | I | π-helix | trans | -64.4 | -41.4 | -174.7 | -54.1 | 0 | 0 | 0 | 0 | 113 | T20 C21 L27 I28 A138 H158 V162 | T20-S25 PolarHBondContact O-N 3.23Å; T20-S25 VanDerWaalsContact O-N 3.1Å; T20-S25 PolarHBondContact O-OG 3.4Å; C21-S25 WeakPolarHBondContact O-CB 3.47Å; C21-S25 PolarHBondContact O-N 3.13Å; C21-S25 VanDerWaalsContact O-N 3.15Å; S25-L27 PolarHBondContact O-N 2.69Å; S25-I28 WeakPolarHBondContact O-CB 3.41Å; S25-I28 PolarHBondContact O-N 3.27Å; S25-A138 WeakPolarHBondContact OG-CB 3.43Å; S25-H158 WeakPolarHBondContact CB-ND1 3.19Å; S25-H158 PolarHBondContact OG-ND1 2.95Å; S25-V162 WeakPolarHBondContact O-CG2 3.31Å |
| 26 | F | 98 | Very high | 96.1 | Very high | 23 Ų | 23 | 17.9 Ų | 17.9 | 10% | 0.101 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.6 | -37.7 | 172.6 | 169.5 | -83.4 | 0 | 0 | 0 | 112.3 | C21 V22 S24 I28 G29 Y30 A161 V164 G165 F168 P194 | C21-F26 WeakPolarHBondContact O-CB 3.46Å; C21-F26 PolarHBondContact O-N 2.93Å; V22-F26 WeakPolarHBondContact O-CB 3.5Å; S24-F26 PolarHBondContact O-N 2.99Å; F26-I28 VanDerWaalsContact C-N 3.29Å; F26-I28 PolarHBondContact O-N 3.25Å; F26-G29 PolarHBondContact O-N 2.85Å; F26-G29 VanDerWaalsContact O-N 3.17Å; F26-Y30 AromaticContact CE1-CD2 3.98Å; F26-Y30 HydrophobicContact CE1-CD2 3.98Å; F26-Y30 HydrophobicContact CE1-CG 4.24Å; F26-Y30 HydrophobicContact CZ-CD2 4.08Å; F26-Y30 WeakPolarHBondContact O-CB 3.32Å; F26-Y30 PolarHBondContact O-N 2.74Å; F26-A161 VanDerWaalsContact CA-O 3.31Å; F26-A161 WeakPolarHBondContact CA-O 3.4Å; F26-A161 HydrophobicContact CB-CB 4.42Å; F26-V164 HydrophobicContact CD2-CB 4.38Å; F26-V164 HydrophobicContact CD2-CG1 3.97Å; F26-V164 HydrophobicContact CE2-CG1 4.01Å; F26-G165 VanDerWaalsContact CE2-CA 3.45Å; F26-G165 WeakPolarHBondContact O-CA 3.37Å; F26-F168 HydrophobicContact CE2-CB 3.84Å; F26-F168 HydrophobicContact CE2-CD1 4.34Å; F26-F168 HydrophobicContact CE2-CG 4.21Å; F26-F168 HydrophobicContact CZ-CB 3.9Å; F26-F168 AromaticContact CZ-CD1 3.59Å; F26-F168 HydrophobicContact CZ-CD1 3.59Å; F26-F168 HydrophobicContact CZ-CE1 4.36Å; F26-F168 AromaticContact CZ-CG 3.91Å; F26-F168 HydrophobicContact CZ-CG 3.91Å; F26-P194 HydrophobicContact CD1-CB 4.34Å; F26-P194 HydrophobicContact CD1-CG 4.03Å; F26-P194 HydrophobicContact CE1-CG 3.84Å |
| 27 | L | 96.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.4 | -34.1 | -177.8 | -172.2 | 58.4 | 0 | 0 | 0 | 112.3 | S24 S25 Y30 N31 N130 G191 A195 | S24-L27 VanDerWaalsContact O-CB 3.26Å; S24-L27 WeakPolarHBondContact O-CB 3.5Å; S24-L27 PolarHBondContact O-N 3.36Å; S25-L27 PolarHBondContact O-N 2.69Å; L27-Y30 PolarHBondContact O-N 3.41Å; L27-N31 WeakPolarHBondContact CD1-ND2 3.28Å; L27-N31 WeakPolarHBondContact CG-ND2 3.21Å; L27-N31 WeakPolarHBondContact O-CB 3.25Å; L27-N31 PolarHBondContact O-N 3.44Å; L27-N31 PolarHBondContact O-ND2 2.7Å; L27-N130 WeakPolarHBondContact CD2-OD1 3.25Å; L27-G191 WeakPolarHBondContact CD1-O 3.38Å; L27-A195 HydrophobicContact CD2-CB 3.99Å |
| 28 | I | 96.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.015 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.3 | -54 | 173.1 | -60.1 | 167.5 | 0 | 0 | 0 | 109.2 | S24 S25 F26 Y30 N31 L32 T134 I135 V162 | S24-I28 PolarHBondContact O-N 3.23Å; S25-I28 WeakPolarHBondContact O-CB 3.41Å; S25-I28 PolarHBondContact O-N 3.27Å; F26-I28 VanDerWaalsContact C-N 3.29Å; F26-I28 PolarHBondContact O-N 3.25Å; I28-Y30 VanDerWaalsContact C-N 3.33Å; I28-Y30 PolarHBondContact O-N 2.9Å; I28-N31 PolarHBondContact O-N 3.44Å; I28-L32 HydrophobicContact CG2-CD1 3.91Å; I28-L32 HydrophobicContact CG2-CG 4.46Å; I28-L32 WeakPolarHBondContact O-CG 3.38Å; I28-L32 PolarHBondContact O-N 3.03Å; I28-T134 HydrophobicContact CD1-CG2 3.64Å; I28-T134 HydrophobicContact CG1-CG2 4Å; I28-I135 HydrophobicContact CD1-CB 3.94Å; I28-I135 HydrophobicContact CD1-CG1 4.49Å; I28-V162 HydrophobicContact CB-CG2 4.31Å |
| 29 | G | 95.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.1 | -41.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F26 N31 L32 G33 V162 G165 I166 | F26-G29 PolarHBondContact O-N 2.85Å; F26-G29 VanDerWaalsContact O-N 3.17Å; G29-N31 PolarHBondContact O-N 3.5Å; G29-L32 PolarHBondContact O-N 2.71Å; G29-G33 PolarHBondContact O-N 3.33Å; G29-G33 VanDerWaalsContact O-N 3.11Å; G29-V162 VanDerWaalsContact CA-O 3.3Å; G29-V162 WeakPolarHBondContact CA-O 3.43Å; G29-G165 VanDerWaalsContact C-C 3.5Å; G29-I166 VanDerWaalsContact O-CG1 3.28Å; G29-I166 WeakPolarHBondContact O-CG1 3.21Å |
| 30 | Y | 98.1 | Very high | 95.5 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.016 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.1 | -50.1 | 176.1 | -173.2 | -94.5 | 0 | 0 | 0 | 111.5 | F26 L27 I28 L32 G33 V34 G165 F168 S169 I172 A187 | F26-Y30 AromaticContact CE1-CD2 3.98Å; F26-Y30 HydrophobicContact CE1-CD2 3.98Å; F26-Y30 HydrophobicContact CE1-CG 4.24Å; F26-Y30 HydrophobicContact CZ-CD2 4.08Å; F26-Y30 WeakPolarHBondContact O-CB 3.32Å; F26-Y30 PolarHBondContact O-N 2.74Å; L27-Y30 PolarHBondContact O-N 3.41Å; I28-Y30 VanDerWaalsContact C-N 3.33Å; I28-Y30 PolarHBondContact O-N 2.9Å; Y30-L32 VanDerWaalsContact C-N 3.31Å; Y30-L32 PolarHBondContact O-N 3.38Å; Y30-G33 PolarHBondContact O-N 2.91Å; Y30-V34 HydrophobicContact CD1-CB 4.44Å; Y30-V34 HydrophobicContact CE1-CB 4.24Å; Y30-V34 HydrophobicContact CE1-CG2 3.98Å; Y30-V34 VanDerWaalsContact O-CB 3.27Å; Y30-V34 WeakPolarHBondContact O-CB 3.44Å; Y30-V34 PolarHBondContact O-N 3.4Å; Y30-G165 WeakPolarHBondContact CA-O 3.34Å; Y30-F168 HydrophobicContact CD2-CD1 4.03Å; Y30-F168 AromaticContact CE2-CD1 3.81Å; Y30-F168 HydrophobicContact CE2-CD1 3.81Å; Y30-F168 HydrophobicContact CE2-CE1 4.18Å; Y30-S169 WeakPolarHBondContact O-CB 3.27Å; Y30-I172 HydrophobicContact CE2-CG2 4.03Å; Y30-A187 WeakPolarHBondContact CE1-O 3.22Å; Y30-A187 VanDerWaalsContact CZ-O 3.31Å; Y30-A187 PolarHBondContact OH-O 3Å |
| 31 | N | 96.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -74 | -19.6 | -178.5 | -74.2 | -65.5 | 0 | 0 | 0 | 114.4 | L27 I28 G29 F70 R124 I127 | L27-N31 WeakPolarHBondContact CD1-ND2 3.28Å; L27-N31 WeakPolarHBondContact CG-ND2 3.21Å; L27-N31 WeakPolarHBondContact O-CB 3.25Å; L27-N31 PolarHBondContact O-N 3.44Å; L27-N31 PolarHBondContact O-ND2 2.7Å; I28-N31 PolarHBondContact O-N 3.44Å; G29-N31 PolarHBondContact O-N 3.5Å; N31-F70 HydrophobicContact CB-CE2 4.02Å; N31-F70 HydrophobicContact CB-CZ 4.25Å; N31-R124 PolarHBondContact O-NH1 3.32Å; N31-I127 HydrophobicContact CB-CG2 3.66Å; N31-I127 WeakPolarHBondContact ND2-CG2 3.44Å; N31-I127 VanDerWaalsContact OD1-CG2 3.25Å; N31-I127 WeakPolarHBondContact OD1-CG2 3.45Å |
| 32 | L | 93.4 | Very high | 95.4 | Very high | 59 Ų | 59 | 27.7 Ų | 27.7 | 31% | 0.309 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -72.3 | -37.5 | 169.3 | -75.9 | 170.6 | 0 | 0 | 0 | 111.8 | I28 G29 Y30 F70 W417 | I28-L32 HydrophobicContact CG2-CD1 3.91Å; I28-L32 HydrophobicContact CG2-CG 4.46Å; I28-L32 WeakPolarHBondContact O-CG 3.38Å; I28-L32 PolarHBondContact O-N 3.03Å; G29-L32 PolarHBondContact O-N 2.71Å; Y30-L32 VanDerWaalsContact C-N 3.31Å; Y30-L32 PolarHBondContact O-N 3.38Å; L32-F70 HydrophobicContact CD2-CE1 3.74Å; L32-F70 HydrophobicContact CD2-CZ 4.36Å; L32-F70 HydrophobicContact CG-CE1 4.44Å; L32-W417 HydrophobicContact CD2-CH2 4.2Å; L32-W417 HydrophobicContact CD2-CZ3 4.29Å |
| 33 | G | 93.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -97 | -23.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116 | G29 Y30 L35 N36 S169 | G29-G33 PolarHBondContact O-N 3.33Å; G29-G33 VanDerWaalsContact O-N 3.11Å; Y30-G33 PolarHBondContact O-N 2.91Å; G33-L35 VanDerWaalsContact C-N 3.25Å; G33-L35 PolarHBondContact O-N 3.23Å; G33-L35 VanDerWaalsContact O-N 3.09Å; G33-N36 WeakPolarHBondContact O-CB 3.46Å; G33-N36 PolarHBondContact O-N 2.94Å; G33-S169 WeakPolarHBondContact CA-OG 3.35Å |
| 34 | V | 96.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23.8 | -168.5 | 70.3 | 0 | 0 | 0 | 0 | 115.1 | Y30 P38 S169 T173 A187 V188 | Y30-V34 HydrophobicContact CD1-CB 4.44Å; Y30-V34 HydrophobicContact CE1-CB 4.24Å; Y30-V34 HydrophobicContact CE1-CG2 3.98Å; Y30-V34 VanDerWaalsContact O-CB 3.27Å; Y30-V34 WeakPolarHBondContact O-CB 3.44Å; Y30-V34 PolarHBondContact O-N 3.4Å; V34-P38 VanDerWaalsContact O-CD 3.25Å; V34-P38 WeakPolarHBondContact O-CD 3.2Å; V34-P38 WeakPolarHBondContact O-CG 3.36Å; V34-S169 PolarHBondContact N-OG 3.37Å; V34-T173 HydrophobicContact CG2-CG2 4.08Å; V34-A187 HydrophobicContact CG2-CB 3.98Å; V34-V188 HydrophobicContact CG1-CG2 4.17Å; V34-V188 HydrophobicContact CG2-CG2 4.19Å |
| 35 | L | 95.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -0.7 | 177.3 | -59 | -166.2 | 0 | 0 | 0 | 113.8 | G33 R39 I42 Y63 V66 R124 W184 V188 | G33-L35 VanDerWaalsContact C-N 3.25Å; G33-L35 PolarHBondContact O-N 3.23Å; G33-L35 VanDerWaalsContact O-N 3.09Å; L35-R39 PolarHBondContact O-N 3.42Å; L35-I42 HydrophobicContact CB-CD1 4.03Å; L35-I42 HydrophobicContact CD1-CD1 4.47Å; L35-I42 HydrophobicContact CD2-CD1 3.77Å; L35-I42 HydrophobicContact CG-CD1 4.3Å; L35-Y63 HydrophobicContact CB-CE2 4.4Å; L35-Y63 WeakPolarHBondContact O-CE2 2.94Å; L35-Y63 PolarHBondContact O-OH 3.45Å; L35-V66 HydrophobicContact CD1-CG1 3.93Å; L35-R124 VanDerWaalsContact CD1-NE 3.3Å; L35-W184 HydrophobicContact CD2-CE3 4.38Å; L35-W184 HydrophobicContact CD2-CZ3 4.29Å; L35-V188 HydrophobicContact CD2-CG2 3.51Å |
| 36 | N | 91.8 | Very high | 95.6 | Very high | 63 Ų | 63 | 28.9 Ų | 28.9 | 34% | 0.337 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -57.2 | -173.7 | -67.6 | -4.9 | 0 | 0 | 0 | 111.2 | G33 R39 Y170 | G33-N36 WeakPolarHBondContact O-CB 3.46Å; G33-N36 PolarHBondContact O-N 2.94Å; N36-R39 WeakPolarHBondContact O-CB 3.41Å; N36-R39 PolarHBondContact O-N 3.39Å; N36-Y170 HydrophobicContact CB-CE1 3.88Å; N36-Y170 PolarHBondContact ND2-OH 3.08Å; N36-Y170 VanDerWaalsContact ND2-OH 3.08Å |
| 37 | L | 93.4 | Very high | 95.5 | Very high | 29 Ų | 29 | 31.4 Ų | 31.4 | 15% | 0.152 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -37.5 | 178.5 | -64.1 | -176.8 | 0 | 0 | 0 | 113.3 | R39 Y170 N179 Q307 V310 | L37-R39 PolarHBondContact O-N 2.95Å; L37-Y170 WeakPolarHBondContact CD1-O 3.32Å; L37-Y170 HydrophobicContact CG-CD1 4.44Å; L37-N179 PolarHBondContact O-ND2 2.72Å; L37-N179 VanDerWaalsContact O-ND2 3.16Å; L37-Q307 HydrophobicContact CD1-CB 4.27Å; L37-Q307 HydrophobicContact CD2-CB 4.28Å; L37-V310 HydrophobicContact CD2-CB 4Å; L37-V310 HydrophobicContact CD2-CG1 3.88Å; L37-V310 HydrophobicContact CD2-CG2 4.26Å; L37-V310 HydrophobicContact CG-CG1 4.47Å |
| 38 | P | 95.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 6.4 | 177 | -19.6 | 34.8 | 0 | 0 | 0 | 116 | V34 R40 N41 I42 T173 N179 W184 | V34-P38 VanDerWaalsContact O-CD 3.25Å; V34-P38 WeakPolarHBondContact O-CD 3.2Å; V34-P38 WeakPolarHBondContact O-CG 3.36Å; P38-R40 VanDerWaalsContact C-N 3.27Å; P38-R40 PolarHBondContact O-N 3.06Å; P38-R40 VanDerWaalsContact O-N 3.14Å; P38-N41 PolarHBondContact O-N 3.06Å; P38-I42 HydrophobicContact CB-CD1 4.14Å; P38-I42 HydrophobicContact CB-CG1 4.45Å; P38-I42 WeakPolarHBondContact O-CG1 3.48Å; P38-I42 PolarHBondContact O-N 3.23Å; P38-T173 HydrophobicContact CG-CG2 3.7Å; P38-N179 VanDerWaalsContact CA-OD1 3.24Å; P38-N179 WeakPolarHBondContact CA-OD1 3.39Å; P38-N179 WeakPolarHBondContact CB-OD1 3.31Å; P38-N179 HydrophobicContact CG-CB 4.31Å; P38-W184 HydrophobicContact CB-CB 3.75Å; P38-W184 HydrophobicContact CB-CG 4.27Å; P38-W184 HydrophobicContact CG-CB 4.2Å |
| 39 | R | 93.9 | Very high | 95.3 | Very high | 107 Ų | 107 | 39 Ų | 39 | 40% | 0.404 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -44.7 | -50.2 | -177.7 | 175.2 | 173.5 | 178.2 | 169.2 | 0.7 | 113.1 | L35 N36 L37 N41 I42 E43 Y63 | L35-R39 PolarHBondContact O-N 3.42Å; N36-R39 WeakPolarHBondContact O-CB 3.41Å; N36-R39 PolarHBondContact O-N 3.39Å; L37-R39 PolarHBondContact O-N 2.95Å; R39-N41 PolarHBondContact O-N 3.3Å; R39-I42 WeakPolarHBondContact O-CB 3.32Å; R39-I42 PolarHBondContact O-N 3.38Å; R39-E43 HydrophobicContact CG-CG 4.43Å; R39-E43 IonicContact CZ-OE1 3.36Å; R39-E43 IonicContact NE-OE1 3.02Å; R39-E43 PolarHBondContact NE-OE1 2.89Å; R39-E43 IonicContact NH2-OE1 3.27Å; R39-E43 PolarHBondContact NH2-OE1 3.36Å; R39-E43 WeakPolarHBondContact O-CG 3.34Å; R39-E43 PolarHBondContact O-N 2.91Å; R39-Y63 HydrophobicContact CB-CD2 4.4Å; R39-Y63 HydrophobicContact CB-CE2 3.75Å; R39-Y63 HydrophobicContact CG-CD1 4.15Å; R39-Y63 HydrophobicContact CG-CD2 3.96Å; R39-Y63 HydrophobicContact CG-CE1 3.91Å; R39-Y63 HydrophobicContact CG-CE2 3.71Å; R39-Y63 HydrophobicContact CG-CG 4.17Å |
| 40 | R | 93 | Very high | 95.1 | Very high | 191 Ų | 191 | 40.6 Ų | 40.6 | 72% | 0.721 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -60.2 | -42.6 | -179.4 | -177 | 174.7 | -179.9 | 154.7 | 0.9 | 112.8 | P38 I42 E43 I44 | P38-R40 VanDerWaalsContact C-N 3.27Å; P38-R40 PolarHBondContact O-N 3.06Å; P38-R40 VanDerWaalsContact O-N 3.14Å; R40-I42 VanDerWaalsContact C-N 3.33Å; R40-E43 PolarHBondContact O-N 3.31Å; R40-I44 HydrophobicContact CG-CD1 4.25Å; R40-I44 VanDerWaalsContact O-CG1 3.32Å; R40-I44 WeakPolarHBondContact O-CG1 3.47Å; R40-I44 PolarHBondContact O-N 2.69Å |
| 41 | N | 96.6 | Very high | 94.8 | Very high | 26 Ų | 26 | 41.7 Ų | 41.7 | 14% | 0.139 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69 | -34.1 | 178.8 | -72.8 | -29.2 | 0 | 0 | 0 | 111.6 | P38 R39 Y45 N179 L181 | P38-N41 PolarHBondContact O-N 3.06Å; R39-N41 PolarHBondContact O-N 3.3Å; N41-Y45 WeakPolarHBondContact O-CB 3.35Å; N41-Y45 PolarHBondContact O-N 2.72Å; N41-N179 PolarHBondContact ND2-O 3.26Å; N41-N179 PolarHBondContact ND2-OD1 2.87Å; N41-L181 HydrophobicContact CB-CD2 4.3Å; N41-L181 WeakPolarHBondContact OD1-CD2 3.16Å |
| 42 | I | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.5 | -40.9 | 174.4 | -62.6 | 161.1 | 0 | 0 | 0 | 110.7 | L35 P38 R39 R40 Y45 F46 Y63 L120 W184 | L35-I42 HydrophobicContact CB-CD1 4.03Å; L35-I42 HydrophobicContact CD1-CD1 4.47Å; L35-I42 HydrophobicContact CD2-CD1 3.77Å; L35-I42 HydrophobicContact CG-CD1 4.3Å; P38-I42 HydrophobicContact CB-CD1 4.14Å; P38-I42 HydrophobicContact CB-CG1 4.45Å; P38-I42 WeakPolarHBondContact O-CG1 3.48Å; P38-I42 PolarHBondContact O-N 3.23Å; R39-I42 WeakPolarHBondContact O-CB 3.32Å; R39-I42 PolarHBondContact O-N 3.38Å; R40-I42 VanDerWaalsContact C-N 3.33Å; I42-Y45 WeakPolarHBondContact O-CB 3.5Å; I42-Y45 PolarHBondContact O-N 3.41Å; I42-F46 HydrophobicContact CG2-CD2 3.87Å; I42-F46 HydrophobicContact CG2-CE2 3.52Å; I42-F46 HydrophobicContact CG2-CZ 4.49Å; I42-F46 VanDerWaalsContact O-CD2 3.23Å; I42-F46 WeakPolarHBondContact O-CD2 3.15Å; I42-F46 PolarHBondContact O-N 2.97Å; I42-Y63 HydrophobicContact CB-CD2 4.24Å; I42-Y63 HydrophobicContact CD1-CD2 4.35Å; I42-Y63 HydrophobicContact CD1-CE2 4.05Å; I42-Y63 HydrophobicContact CG2-CD2 3.95Å; I42-L120 HydrophobicContact CG2-CD2 4.39Å; I42-W184 HydrophobicContact CD1-CD2 4.49Å; I42-W184 HydrophobicContact CD1-CE3 4.12Å; I42-W184 HydrophobicContact CD1-CZ3 4.3Å; I42-W184 HydrophobicContact CG1-CD2 3.75Å; I42-W184 HydrophobicContact CG1-CE3 3.79Å; I42-W184 HydrophobicContact CG1-CG 4.45Å; I42-W184 HydrophobicContact CG1-CH2 4.07Å; I42-W184 HydrophobicContact CG1-CZ2 3.98Å; I42-W184 HydrophobicContact CG1-CZ3 3.97Å |
| 43 | E | 96.5 | Very high | 94.6 | Very high | 32 Ų | 32 | 49.1 Ų | 49.1 | 15% | 0.15 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.7 | -40.1 | 175.9 | -75.8 | 175 | 167.4 | 0 | 0 | 111.8 | R39 R40 F46 N47 S59 S60 | R39-E43 HydrophobicContact CG-CG 4.43Å; R39-E43 IonicContact CZ-OE1 3.36Å; R39-E43 IonicContact NE-OE1 3.02Å; R39-E43 PolarHBondContact NE-OE1 2.89Å; R39-E43 IonicContact NH2-OE1 3.27Å; R39-E43 PolarHBondContact NH2-OE1 3.36Å; R39-E43 WeakPolarHBondContact O-CG 3.34Å; R39-E43 PolarHBondContact O-N 2.91Å; R40-E43 PolarHBondContact O-N 3.31Å; E43-F46 PolarHBondContact O-N 3.41Å; E43-N47 PolarHBondContact O-N 3.34Å; E43-S59 VanDerWaalsContact O-CB 3.24Å; E43-S59 WeakPolarHBondContact O-CB 3.42Å; E43-S60 PolarHBondContact OE1-OG 3.02Å |
| 44 | I | 96.5 | Very high | 94.5 | Very high | 51 Ų | 51 | 51.2 Ų | 51.2 | 26% | 0.262 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 171.7 | -68.4 | 165.5 | 0 | 0 | 0 | 110.6 | R40 F46 N47 E48 L181 | R40-I44 HydrophobicContact CG-CD1 4.25Å; R40-I44 VanDerWaalsContact O-CG1 3.32Å; R40-I44 WeakPolarHBondContact O-CG1 3.47Å; R40-I44 PolarHBondContact O-N 2.69Å; I44-F46 VanDerWaalsContact C-N 3.28Å; I44-F46 PolarHBondContact O-N 3.42Å; I44-N47 WeakPolarHBondContact O-CB 3.26Å; I44-N47 PolarHBondContact O-N 2.91Å; I44-N47 VanDerWaalsContact O-N 3.1Å; I44-E48 WeakPolarHBondContact O-CG 3.4Å; I44-E48 PolarHBondContact O-N 3.31Å; I44-L181 HydrophobicContact CB-CD2 4.05Å; I44-L181 HydrophobicContact CD1-CD2 3.99Å; I44-L181 HydrophobicContact CG2-CD2 3.72Å |
| 45 | Y | 96.8 | Very high | 93.9 | Very high | 9 Ų | 9 | 56.6 Ų | 56.6 | 4% | 0.035 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.7 | -41.2 | 176.5 | 169.4 | -107.5 | 0 | 0 | 0 | 112.4 | N41 I42 E48 T49 C111 V112 Q116 P117 W184 | N41-Y45 WeakPolarHBondContact O-CB 3.35Å; N41-Y45 PolarHBondContact O-N 2.72Å; I42-Y45 WeakPolarHBondContact O-CB 3.5Å; I42-Y45 PolarHBondContact O-N 3.41Å; Y45-E48 PolarHBondContact O-N 2.9Å; Y45-T49 HydrophobicContact CD2-CG2 4.02Å; Y45-T49 HydrophobicContact CE2-CG2 3.71Å; Y45-T49 WeakPolarHBondContact O-CB 3.45Å; Y45-T49 WeakPolarHBondContact O-CG2 3.25Å; Y45-T49 PolarHBondContact O-N 3.05Å; Y45-T49 VanDerWaalsContact O-N 3.15Å; Y45-T49 PolarHBondContact O-OG1 3.42Å; Y45-C111 PolarHBondContact OH-O 2.99Å; Y45-V112 HydrophobicContact CD2-CG2 3.83Å; Y45-V112 HydrophobicContact CE2-CB 4.41Å; Y45-V112 HydrophobicContact CE2-CG2 3.94Å; Y45-V112 HydrophobicContact CG-CG2 4.32Å; Y45-Q116 PolarHBondContact OH-N 3.15Å; Y45-Q116 PolarHBondContact OH-O 3.41Å; Y45-P117 HydrophobicContact CE1-CB 4.08Å; Y45-P117 HydrophobicContact CE1-CG 3.98Å; Y45-P117 VanDerWaalsContact OH-CA 3.29Å; Y45-P117 WeakPolarHBondContact OH-CA 3.18Å; Y45-P117 VanDerWaalsContact OH-N 3.07Å; Y45-W184 HydrophobicContact CD1-CZ2 4.18Å; Y45-W184 HydrophobicContact CG-CZ2 4.36Å |
| 46 | F | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.4 | -38.3 | 174.9 | -76 | -55.3 | 0 | 0 | 0 | 113.4 | I42 E43 I44 E48 T49 V50 V51 F62 V66 P117 L120 Y121 | I42-F46 HydrophobicContact CG2-CD2 3.87Å; I42-F46 HydrophobicContact CG2-CE2 3.52Å; I42-F46 HydrophobicContact CG2-CZ 4.49Å; I42-F46 VanDerWaalsContact O-CD2 3.23Å; I42-F46 WeakPolarHBondContact O-CD2 3.15Å; I42-F46 PolarHBondContact O-N 2.97Å; E43-F46 PolarHBondContact O-N 3.41Å; I44-F46 VanDerWaalsContact C-N 3.28Å; I44-F46 PolarHBondContact O-N 3.42Å; F46-E48 PolarHBondContact O-N 2.88Å; F46-T49 PolarHBondContact O-N 3.13Å; F46-V50 HydrophobicContact CD1-CB 4.43Å; F46-V50 HydrophobicContact CD1-CG2 3.88Å; F46-V50 HydrophobicContact CE1-CG2 4.41Å; F46-V50 PolarHBondContact O-N 3.27Å; F46-V51 PolarHBondContact O-N 3.41Å; F46-F62 HydrophobicContact CB-CB 4.28Å; F46-F62 HydrophobicContact CB-CD2 4.45Å; F46-F62 HydrophobicContact CD1-CB 3.81Å; F46-F62 HydrophobicContact CD1-CG 4.24Å; F46-F62 HydrophobicContact CD2-CB 3.65Å; F46-F62 HydrophobicContact CE1-CB 3.97Å; F46-F62 HydrophobicContact CE2-CB 3.82Å; F46-F62 HydrophobicContact CG-CB 3.65Å; F46-F62 HydrophobicContact CG-CG 4.34Å; F46-F62 HydrophobicContact CZ-CB 3.97Å; F46-V66 HydrophobicContact CE2-CG2 4.09Å; F46-V66 HydrophobicContact CZ-CG2 3.58Å; F46-P117 HydrophobicContact CE1-CB 4.03Å; F46-L120 HydrophobicContact CE2-CD2 4.38Å; F46-L120 HydrophobicContact CZ-CD2 3.89Å; F46-Y121 AromaticContact CE1-CE2 3.99Å; F46-Y121 HydrophobicContact CE1-CE2 3.99Å; F46-Y121 HydrophobicContact CZ-CE2 4.15Å |
| 47 | N | 95.6 | Very high | 93.6 | Very high | 77 Ų | 77 | 65.6 Ų | 65.6 | 41% | 0.412 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.2 | -31.9 | 174.2 | -80.1 | -21 | 0 | 0 | 0 | 112.5 | E43 I44 P52 S59 | E43-N47 PolarHBondContact O-N 3.34Å; I44-N47 WeakPolarHBondContact O-CB 3.26Å; I44-N47 PolarHBondContact O-N 2.91Å; I44-N47 VanDerWaalsContact O-N 3.1Å; N47-P52 VanDerWaalsContact O-CD 3.22Å; N47-P52 WeakPolarHBondContact O-CD 3.35Å; N47-P52 WeakPolarHBondContact O-CG 3.47Å; N47-S59 WeakPolarHBondContact OD1-CB 3.47Å; N47-S59 PolarHBondContact OD1-OG 2.81Å |
| 48 | E | 94.5 | Very high | 93.5 | Very high | 137 Ų | 137 | 68.7 Ų | 68.7 | 64% | 0.64 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -84.7 | -25.6 | 179.1 | -69.1 | 178.2 | -179.5 | 0 | 0 | 113.5 | I44 Y45 F46 | I44-E48 WeakPolarHBondContact O-CG 3.4Å; I44-E48 PolarHBondContact O-N 3.31Å; Y45-E48 PolarHBondContact O-N 2.9Å; F46-E48 PolarHBondContact O-N 2.88Å |
| 49 | T | 94.4 | Very high | 93.4 | Very high | 28 Ų | 28 | 69.3 Ų | 69.3 | 17% | 0.172 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -113.4 | -37.4 | -167.9 | 55.1 | 0 | 0 | 0 | 0 | 115.2 | Y45 F46 K115 P117 | Y45-T49 HydrophobicContact CD2-CG2 4.02Å; Y45-T49 HydrophobicContact CE2-CG2 3.71Å; Y45-T49 WeakPolarHBondContact O-CB 3.45Å; Y45-T49 WeakPolarHBondContact O-CG2 3.25Å; Y45-T49 PolarHBondContact O-N 3.05Å; Y45-T49 VanDerWaalsContact O-N 3.15Å; Y45-T49 PolarHBondContact O-OG1 3.42Å; F46-T49 PolarHBondContact O-N 3.13Å; T49-K115 HydrophobicContact CG2-CB 4.4Å; T49-P117 HydrophobicContact CG2-CG 4.39Å; T49-P117 VanDerWaalsContact OG1-CG 3.28Å; T49-P117 WeakPolarHBondContact OG1-CG 3.43Å |
| 50 | V | 92.7 | Very high | 93.3 | Very high | 32 Ų | 32 | 65.9 Ų | 65.9 | 19% | 0.194 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | -47.2 | -170.3 | -172 | 0 | 0 | 0 | 0 | 112.4 | F46 P52 N53 T54 F62 P117 | F46-V50 HydrophobicContact CD1-CB 4.43Å; F46-V50 HydrophobicContact CD1-CG2 3.88Å; F46-V50 HydrophobicContact CE1-CG2 4.41Å; F46-V50 PolarHBondContact O-N 3.27Å; V50-P52 VanDerWaalsContact C-N 3.32Å; V50-N53 PolarHBondContact O-N 3.12Å; V50-T54 PolarHBondContact O-N 3.03Å; V50-T54 PolarHBondContact O-OG1 3.25Å; V50-F62 HydrophobicContact CB-CE2 4.37Å; V50-F62 HydrophobicContact CB-CZ 4.35Å; V50-F62 HydrophobicContact CG1-CD1 4.27Å; V50-F62 HydrophobicContact CG1-CE1 3.64Å; V50-F62 HydrophobicContact CG1-CE2 3.94Å; V50-F62 HydrophobicContact CG1-CZ 3.45Å; V50-F62 VanDerWaalsContact CG1-CZ 3.45Å; V50-P117 HydrophobicContact CG2-CB 3.85Å; V50-P117 HydrophobicContact CG2-CG 3.49Å; V50-P117 VanDerWaalsContact CG2-CG 3.49Å |
| 51 | V | 91.9 | Very high | 93.2 | Very high | 28 Ų | 28 | 61.2 Ų | 61.2 | 17% | 0.17 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -55.3 | -38.1 | -176.7 | 176.3 | 0 | 0 | 0 | 0 | 113.2 | F46 N53 T54 F62 | F46-V51 PolarHBondContact O-N 3.41Å; V51-N53 PolarHBondContact O-N 3.4Å; V51-T54 CarbonylContact O-C 3.25Å; V51-T54 VanDerWaalsContact O-C 3.25Å; V51-T54 PolarHBondContact O-N 3.04Å; V51-F62 HydrophobicContact CG2-CD2 4.05Å; V51-F62 HydrophobicContact CG2-CE2 3.89Å |
| 52 | P | 91.9 | Very high | 93.1 | Very high | 86 Ų | 86 | 60.8 Ų | 60.8 | 56% | 0.558 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -58.9 | -25.2 | 176.9 | -26 | 36.9 | 0 | 0 | 0 | 113.8 | N47 V50 | N47-P52 VanDerWaalsContact O-CD 3.22Å; N47-P52 WeakPolarHBondContact O-CD 3.35Å; N47-P52 WeakPolarHBondContact O-CG 3.47Å; V50-P52 VanDerWaalsContact C-N 3.32Å |
| 53 | N | 91.9 | Very high | 92.9 | Very high | 132 Ų | 132 | 61.7 Ų | 61.7 | 71% | 0.706 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -98.8 | -4.4 | 177.7 | -59.8 | -46.3 | 0 | 0 | 0 | 113 | V50 V51 | V50-N53 PolarHBondContact O-N 3.12Å; V51-N53 PolarHBondContact O-N 3.4Å |
| 54 | T | 91.4 | Very high | 92.6 | Very high | 44 Ų | 44 | 62.8 Ų | 62.8 | 27% | 0.27 | 34% | 0.339 | S | S | . | . | trans | -140.7 | 60.7 | -175.3 | 47.4 | 0 | 0 | 0 | 0 | 110.9 | V50 V51 E56 L57 F62 | V50-T54 PolarHBondContact O-N 3.03Å; V50-T54 PolarHBondContact O-OG1 3.25Å; V51-T54 CarbonylContact O-C 3.25Å; V51-T54 VanDerWaalsContact O-C 3.25Å; V51-T54 PolarHBondContact O-N 3.04Å; T54-E56 PolarHBondContact O-N 3.32Å; T54-L57 PolarHBondContact O-N 3.17Å; T54-F62 HydrophobicContact CG2-CZ 4.46Å; T54-F62 WeakPolarHBondContact OG1-CZ 3.36Å | ||
| 55 | P | 84.5 | Confident | 92.4 | Very high | 114 Ų | 114 | 64.3 Ų | 64.3 | 74% | 0.74 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -14.5 | -168.6 | 26.9 | -36.3 | 0 | 0 | 0 | 114.8 | L57 | P55-L57 VanDerWaalsContact C-N 3.28Š|
| 56 | E | 90 | Very high | 92.3 | Very high | 189 Ų | 189 | 63.9 Ų | 63.9 | 88% | 0.883 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -15.9 | 175.6 | -58.9 | 176.7 | -171.9 | 0 | 0 | 113 | T54 | T54-E56 PolarHBondContact O-N 3.32Š|
| 57 | L | 91.4 | Very high | 92.1 | Very high | 65 Ų | 65 | 64.9 Ų | 64.9 | 34% | 0.34 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -117.9 | 136.9 | -174.6 | -59 | 175.4 | 0 | 0 | 0 | 110.5 | T54 P55 F61 F62 | T54-L57 PolarHBondContact O-N 3.17Å; P55-L57 VanDerWaalsContact C-N 3.28Å; L57-F61 HydrophobicContact CB-CD1 4.25Å; L57-F61 HydrophobicContact CD1-CD1 4.04Å; L57-F61 HydrophobicContact CD1-CE1 3.85Å; L57-F61 HydrophobicContact CD2-CD1 4.15Å; L57-F61 HydrophobicContact CD2-CE1 4.25Å; L57-F61 HydrophobicContact CD2-CG 4.3Å; L57-F61 HydrophobicContact CD2-CZ 4.46Å; L57-F61 HydrophobicContact CG-CD1 4.38Å; L57-F62 HydrophobicContact CB-CE2 3.9Å; L57-F62 HydrophobicContact CB-CZ 3.91Å; L57-F62 HydrophobicContact CD1-CE1 4.33Å; L57-F62 HydrophobicContact CD1-CZ 3.91Å |
| 58 | D | 91.9 | Very high | 92 | Very high | 94 Ų | 94 | 62.3 Ų | 62.3 | 50% | 0.503 | 34% | 0.337 | S | S | . | . | trans | -90.8 | 167 | 177.8 | 67.8 | 5.1 | 0 | 0 | 0 | 112.7 | S60 F61 F62 | D58-S60 VanDerWaalsContact C-N 3.26Å; D58-S60 PolarHBondContact O-N 3.3Å; D58-F61 WeakPolarHBondContact O-CB 3.43Å; D58-F61 PolarHBondContact O-N 2.97Å; D58-F61 WeakPolarHBondContact OD1-CB 3.23Å; D58-F61 PolarHBondContact OD1-N 3.45Å; D58-F62 WeakPolarHBondContact O-CD2 3.36Å; D58-F62 PolarHBondContact O-N 2.6Å | ||
| 59 | S | 93.2 | Very high | 92 | Very high | 13 Ų | 13 | 57.5 Ų | 57.5 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.6 | -29.5 | 177.9 | 54.5 | 0 | 0 | 0 | 0 | 113.4 | E43 N47 F62 Y63 | E43-S59 VanDerWaalsContact O-CB 3.24Å; E43-S59 WeakPolarHBondContact O-CB 3.42Å; N47-S59 WeakPolarHBondContact OD1-CB 3.47Å; N47-S59 PolarHBondContact OD1-OG 2.81Å; S59-F62 PolarHBondContact O-N 3.34Å; S59-Y63 PolarHBondContact O-N 3.07Å |
| 60 | S | 90 | Very high | 92.1 | Very high | 35 Ų | 35 | 56.3 Ų | 56.3 | 25% | 0.245 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.5 | -35.5 | 176.2 | -70.7 | 0 | 0 | 0 | 0 | 112.3 | E43 D58 Y63 T64 | E43-S60 PolarHBondContact OE1-OG 3.02Å; D58-S60 VanDerWaalsContact C-N 3.26Å; D58-S60 PolarHBondContact O-N 3.3Å; S60-Y63 PolarHBondContact O-N 3.45Å; S60-T64 WeakPolarHBondContact O-CB 3.26Å; S60-T64 PolarHBondContact O-N 2.91Å; S60-T64 PolarHBondContact O-OG1 3.4Å |
| 61 | F | 91.5 | Very high | 92.1 | Very high | 93 Ų | 93 | 55.2 Ų | 55.2 | 41% | 0.408 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.8 | -50.5 | 170.6 | 175 | -93.9 | 0 | 0 | 0 | 110.9 | L57 D58 Y63 T64 H65 | L57-F61 HydrophobicContact CB-CD1 4.25Å; L57-F61 HydrophobicContact CD1-CD1 4.04Å; L57-F61 HydrophobicContact CD1-CE1 3.85Å; L57-F61 HydrophobicContact CD2-CD1 4.15Å; L57-F61 HydrophobicContact CD2-CE1 4.25Å; L57-F61 HydrophobicContact CD2-CG 4.3Å; L57-F61 HydrophobicContact CD2-CZ 4.46Å; L57-F61 HydrophobicContact CG-CD1 4.38Å; D58-F61 WeakPolarHBondContact O-CB 3.43Å; D58-F61 PolarHBondContact O-N 2.97Å; D58-F61 WeakPolarHBondContact OD1-CB 3.23Å; D58-F61 PolarHBondContact OD1-N 3.45Å; F61-Y63 PolarHBondContact O-N 2.86Å; F61-T64 PolarHBondContact O-N 2.83Å; F61-H65 WeakPolarHBondContact O-CB 3.41Å; F61-H65 PolarHBondContact O-N 3.11Å |
| 62 | F | 94.6 | Very high | 92.2 | Very high | 17 Ų | 17 | 56.4 Ų | 56.4 | 8% | 0.075 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 179.2 | -65.9 | -66.4 | 0 | 0 | 0 | 112.8 | F46 V50 V51 T54 L57 D58 S59 T64 H65 V66 Y121 | F46-F62 HydrophobicContact CB-CB 4.28Å; F46-F62 HydrophobicContact CB-CD2 4.45Å; F46-F62 HydrophobicContact CD1-CB 3.81Å; F46-F62 HydrophobicContact CD1-CG 4.24Å; F46-F62 HydrophobicContact CD2-CB 3.65Å; F46-F62 HydrophobicContact CE1-CB 3.97Å; F46-F62 HydrophobicContact CE2-CB 3.82Å; F46-F62 HydrophobicContact CG-CB 3.65Å; F46-F62 HydrophobicContact CG-CG 4.34Å; F46-F62 HydrophobicContact CZ-CB 3.97Å; V50-F62 HydrophobicContact CB-CE2 4.37Å; V50-F62 HydrophobicContact CB-CZ 4.35Å; V50-F62 HydrophobicContact CG1-CD1 4.27Å; V50-F62 HydrophobicContact CG1-CE1 3.64Å; V50-F62 HydrophobicContact CG1-CE2 3.94Å; V50-F62 HydrophobicContact CG1-CZ 3.45Å; V50-F62 VanDerWaalsContact CG1-CZ 3.45Å; V51-F62 HydrophobicContact CG2-CD2 4.05Å; V51-F62 HydrophobicContact CG2-CE2 3.89Å; T54-F62 HydrophobicContact CG2-CZ 4.46Å; T54-F62 WeakPolarHBondContact OG1-CZ 3.36Å; L57-F62 HydrophobicContact CB-CE2 3.9Å; L57-F62 HydrophobicContact CB-CZ 3.91Å; L57-F62 HydrophobicContact CD1-CE1 4.33Å; L57-F62 HydrophobicContact CD1-CZ 3.91Å; D58-F62 WeakPolarHBondContact O-CD2 3.36Å; D58-F62 PolarHBondContact O-N 2.6Å; S59-F62 PolarHBondContact O-N 3.34Å; F62-T64 VanDerWaalsContact C-N 3.34Å; F62-T64 PolarHBondContact O-N 2.58Å; F62-H65 PolarHBondContact O-N 3.25Å; F62-V66 WeakPolarHBondContact O-CG2 3.41Å; F62-V66 PolarHBondContact O-N 3.45Å; F62-Y121 PolarHBondContact O-OH 3.45Å |
| 63 | Y | 92.8 | Very high | 92.4 | Very high | 19 Ų | 19 | 52.3 Ų | 52.3 | 8% | 0.075 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.8 | -45.3 | 173.5 | 175.3 | -94.6 | 0 | 0 | 0 | 112.2 | L35 R39 I42 S59 S60 F61 H65 V66 S67 | L35-Y63 HydrophobicContact CB-CE2 4.4Å; L35-Y63 WeakPolarHBondContact O-CE2 2.94Å; L35-Y63 PolarHBondContact O-OH 3.45Å; R39-Y63 HydrophobicContact CB-CD2 4.4Å; R39-Y63 HydrophobicContact CB-CE2 3.75Å; R39-Y63 HydrophobicContact CG-CD1 4.15Å; R39-Y63 HydrophobicContact CG-CD2 3.96Å; R39-Y63 HydrophobicContact CG-CE1 3.91Å; R39-Y63 HydrophobicContact CG-CE2 3.71Å; R39-Y63 HydrophobicContact CG-CG 4.17Å; I42-Y63 HydrophobicContact CB-CD2 4.24Å; I42-Y63 HydrophobicContact CD1-CD2 4.35Å; I42-Y63 HydrophobicContact CD1-CE2 4.05Å; I42-Y63 HydrophobicContact CG2-CD2 3.95Å; S59-Y63 PolarHBondContact O-N 3.07Å; S60-Y63 PolarHBondContact O-N 3.45Å; F61-Y63 PolarHBondContact O-N 2.86Å; Y63-H65 VanDerWaalsContact C-N 3.31Å; Y63-H65 PolarHBondContact O-N 3.32Å; Y63-V66 PolarHBondContact O-N 3Å; Y63-S67 PolarHBondContact O-N 3.16Å; Y63-S67 VanDerWaalsContact O-N 3.15Å; Y63-S67 PolarHBondContact O-OG 3.4Å |
| 64 | T | 90.3 | Very high | 92.6 | Very high | 56 Ų | 56 | 46 Ų | 46 | 34% | 0.344 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.2 | -39.1 | 179.1 | -58.1 | 0 | 0 | 0 | 0 | 110.5 | S60 F61 F62 S67 T68 | S60-T64 WeakPolarHBondContact O-CB 3.26Å; S60-T64 PolarHBondContact O-N 2.91Å; S60-T64 PolarHBondContact O-OG1 3.4Å; F61-T64 PolarHBondContact O-N 2.83Å; F62-T64 VanDerWaalsContact C-N 3.34Å; F62-T64 PolarHBondContact O-N 2.58Å; T64-S67 PolarHBondContact O-N 3.32Å; T64-T68 WeakPolarHBondContact O-CB 3.2Å; T64-T68 PolarHBondContact O-N 3.47Å; T64-T68 PolarHBondContact O-OG1 3.14Å |
| 65 | H | 92.8 | Very high | 92.6 | Very high | 82 Ų | 82 | 45 Ų | 45 | 38% | 0.38 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.7 | -40.7 | 178.9 | -162.6 | -136.5 | 0 | 0 | 0 | 112.5 | F61 F62 Y63 S67 T68 I69 Y121 | F61-H65 WeakPolarHBondContact O-CB 3.41Å; F61-H65 PolarHBondContact O-N 3.11Å; F62-H65 PolarHBondContact O-N 3.25Å; Y63-H65 VanDerWaalsContact C-N 3.31Å; Y63-H65 PolarHBondContact O-N 3.32Å; H65-S67 VanDerWaalsContact C-N 3.3Å; H65-S67 PolarHBondContact O-N 2.67Å; H65-T68 PolarHBondContact O-N 2.85Å; H65-I69 WeakPolarHBondContact O-CG1 3.45Å; H65-I69 PolarHBondContact O-N 3.01Å; H65-Y121 HydrophobicContact CB-CE1 4.34Å; H65-Y121 AromaticContact ND1-CE1 3.73Å |
| 66 | V | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.2 | -43.6 | 171.7 | 169.5 | 0 | 0 | 0 | 0 | 111.6 | L35 F46 F62 Y63 F70 L120 Y121 R124 | L35-V66 HydrophobicContact CD1-CG1 3.93Å; F46-V66 HydrophobicContact CE2-CG2 4.09Å; F46-V66 HydrophobicContact CZ-CG2 3.58Å; F62-V66 WeakPolarHBondContact O-CG2 3.41Å; F62-V66 PolarHBondContact O-N 3.45Å; Y63-V66 PolarHBondContact O-N 3Å; V66-F70 PolarHBondContact O-N 3.22Å; V66-L120 HydrophobicContact CG1-CD1 4.36Å; V66-L120 HydrophobicContact CG1-CD2 4.1Å; V66-L120 HydrophobicContact CG1-CG 3.99Å; V66-L120 HydrophobicContact CG2-CD2 3.86Å; V66-L120 HydrophobicContact CG2-CG 4.19Å; V66-Y121 HydrophobicContact CB-CE1 4.21Å; V66-Y121 HydrophobicContact CG2-CD1 3.81Å; V66-Y121 HydrophobicContact CG2-CD2 4.4Å; V66-Y121 HydrophobicContact CG2-CE1 3.38Å; V66-Y121 HydrophobicContact CG2-CE2 3.99Å; V66-Y121 HydrophobicContact CG2-CG 4.33Å; V66-Y121 VanDerWaalsContact CG2-CZ 3.48Å; V66-R124 HydrophobicContact CG1-CB 4.36Å; V66-R124 HydrophobicContact CG1-CG 3.83Å |
| 67 | S | 92 | Very high | 93.4 | Very high | 22 Ų | 22 | 34.8 Ų | 34.8 | 15% | 0.154 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.4 | -39.5 | 178.4 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | Y63 T64 H65 F70 V71 | Y63-S67 PolarHBondContact O-N 3.16Å; Y63-S67 VanDerWaalsContact O-N 3.15Å; Y63-S67 PolarHBondContact O-OG 3.4Å; T64-S67 PolarHBondContact O-N 3.32Å; H65-S67 VanDerWaalsContact C-N 3.3Å; H65-S67 PolarHBondContact O-N 2.67Å; S67-F70 PolarHBondContact O-N 3.45Å; S67-V71 WeakPolarHBondContact O-CG2 3.4Å; S67-V71 PolarHBondContact O-N 3.03Å |
| 68 | T | 92.6 | Very high | 93.5 | Very high | 22 Ų | 22 | 31.7 Ų | 31.7 | 14% | 0.135 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.8 | -43.9 | 177.1 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | T64 H65 F70 V71 V72 L421 L424 | T64-T68 WeakPolarHBondContact O-CB 3.2Å; T64-T68 PolarHBondContact O-N 3.47Å; T64-T68 PolarHBondContact O-OG1 3.14Å; H65-T68 PolarHBondContact O-N 2.85Å; T68-F70 VanDerWaalsContact C-N 3.31Å; T68-F70 PolarHBondContact O-N 2.96Å; T68-V71 PolarHBondContact O-N 2.85Å; T68-V71 VanDerWaalsContact O-N 3.08Å; T68-V72 HydrophobicContact CG2-CG2 4.27Å; T68-V72 WeakPolarHBondContact O-CG2 3.35Å; T68-V72 PolarHBondContact O-N 2.93Å; T68-L421 HydrophobicContact CG2-CD1 3.66Å; T68-L424 WeakPolarHBondContact OG1-CD2 3.2Å |
| 69 | I | 95.7 | Very high | 93.5 | Very high | 37 Ų | 37 | 32.7 Ų | 32.7 | 19% | 0.19 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.2 | -40 | 179 | -80.3 | 167 | 0 | 0 | 0 | 111.8 | H65 A73 Y121 F125 | H65-I69 WeakPolarHBondContact O-CG1 3.45Å; H65-I69 PolarHBondContact O-N 3.01Å; I69-A73 VanDerWaalsContact O-CB 3.25Å; I69-A73 WeakPolarHBondContact O-CB 3.49Å; I69-A73 PolarHBondContact O-N 3.32Å; I69-Y121 HydrophobicContact CD1-CD1 3.34Å; I69-Y121 HydrophobicContact CD1-CE1 3.69Å; I69-Y121 HydrophobicContact CD1-CG 4.45Å; I69-F125 HydrophobicContact CG2-CB 3.84Å; I69-F125 HydrophobicContact CG2-CD2 4.12Å |
| 70 | F | 95.4 | Very high | 93.5 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 1% | 0.013 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.6 | -46.1 | 172.3 | 168.4 | -91.8 | 0 | 0 | 0 | 111.8 | N31 L32 V66 S67 T68 A73 A74 R124 I127 G128 S131 W417 | N31-F70 HydrophobicContact CB-CE2 4.02Å; N31-F70 HydrophobicContact CB-CZ 4.25Å; L32-F70 HydrophobicContact CD2-CE1 3.74Å; L32-F70 HydrophobicContact CD2-CZ 4.36Å; L32-F70 HydrophobicContact CG-CE1 4.44Å; V66-F70 PolarHBondContact O-N 3.22Å; S67-F70 PolarHBondContact O-N 3.45Å; T68-F70 VanDerWaalsContact C-N 3.31Å; T68-F70 PolarHBondContact O-N 2.96Å; F70-A73 PolarHBondContact O-N 2.99Å; F70-A74 WeakPolarHBondContact O-CB 3.38Å; F70-A74 PolarHBondContact O-N 3.49Å; F70-R124 HydrophobicContact CB-CB 4.43Å; F70-R124 VanDerWaalsContact CG-NH1 3.31Å; F70-I127 HydrophobicContact CD2-CG2 4.25Å; F70-I127 HydrophobicContact CE2-CG2 3.83Å; F70-G128 WeakPolarHBondContact O-CA 3.4Å; F70-S131 WeakPolarHBondContact CE2-OG 3.44Å; F70-W417 HydrophobicContact CE1-CH2 4.21Å; F70-W417 HydrophobicContact CE1-CZ3 4.15Å |
| 71 | V | 93 | Very high | 93.7 | Very high | 8 Ų | 8 | 32 Ų | 32 | 5% | 0.048 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.2 | -44.6 | -179.4 | 172 | 0 | 0 | 0 | 0 | 111.7 | S67 T68 A73 A74 A75 W417 N420 L421 L424 | S67-V71 WeakPolarHBondContact O-CG2 3.4Å; S67-V71 PolarHBondContact O-N 3.03Å; T68-V71 PolarHBondContact O-N 2.85Å; T68-V71 VanDerWaalsContact O-N 3.08Å; V71-A73 PolarHBondContact O-N 3.46Å; V71-A74 PolarHBondContact O-N 2.75Å; V71-A75 PolarHBondContact O-N 3.07Å; V71-W417 HydrophobicContact CG1-CE3 4.24Å; V71-N420 HydrophobicContact CG1-CB 4.41Å; V71-L421 HydrophobicContact CG1-CB 3.9Å; V71-L421 HydrophobicContact CG1-CD1 4.27Å; V71-L424 HydrophobicContact CG2-CD2 4.24Å |
| 72 | V | 94 | Very high | 93.5 | Very high | 54 Ų | 54 | 27.9 Ų | 27.9 | 33% | 0.327 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -60.7 | -46.6 | 176.4 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | T68 A74 A75 I76 L421 | T68-V72 HydrophobicContact CG2-CG2 4.27Å; T68-V72 WeakPolarHBondContact O-CG2 3.35Å; T68-V72 PolarHBondContact O-N 2.93Å; V72-A74 VanDerWaalsContact C-N 3.31Å; V72-A74 PolarHBondContact O-N 2.89Å; V72-A75 WeakPolarHBondContact O-CB 3.31Å; V72-A75 PolarHBondContact O-N 3.13Å; V72-I76 HydrophobicContact CG1-CD1 4.27Å; V72-I76 WeakPolarHBondContact O-CG1 3.22Å; V72-I76 PolarHBondContact O-N 3.31Å; V72-I76 VanDerWaalsContact O-N 3.12Å; V72-L421 HydrophobicContact CG2-CD1 3.98Å; V72-L421 HydrophobicContact CG2-CD2 3.94Å |
| 73 | A | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63 | -37.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I69 F70 V71 A75 I76 G77 F125 I129 | I69-A73 VanDerWaalsContact O-CB 3.25Å; I69-A73 WeakPolarHBondContact O-CB 3.49Å; I69-A73 PolarHBondContact O-N 3.32Å; F70-A73 PolarHBondContact O-N 2.99Å; V71-A73 PolarHBondContact O-N 3.46Å; A73-A75 VanDerWaalsContact C-N 3.34Å; A73-A75 PolarHBondContact O-N 3.15Å; A73-I76 PolarHBondContact O-N 3.15Å; A73-G77 PolarHBondContact O-N 2.94Å; A73-F125 HydrophobicContact CB-CB 4.44Å; A73-F125 HydrophobicContact CB-CD2 3.61Å; A73-F125 HydrophobicContact CB-CE2 3.87Å; A73-F125 HydrophobicContact CB-CG 3.95Å; A73-F125 HydrophobicContact CB-CZ 4.43Å; A73-F125 WeakPolarHBondContact CB-O 3.3Å; A73-I129 HydrophobicContact CB-CD1 4.34Å; A73-I129 HydrophobicContact CB-CG1 4.2Å; A73-I129 VanDerWaalsContact O-CD1 3.31Å; A73-I129 WeakPolarHBondContact O-CD1 3.37Å |
| 74 | A | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.1 | -35.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | F70 V71 V72 G77 A78 G128 G132 W417 | F70-A74 WeakPolarHBondContact O-CB 3.38Å; F70-A74 PolarHBondContact O-N 3.49Å; V71-A74 PolarHBondContact O-N 2.75Å; V72-A74 VanDerWaalsContact C-N 3.31Å; V72-A74 PolarHBondContact O-N 2.89Å; A74-G77 PolarHBondContact O-N 2.7Å; A74-A78 VanDerWaalsContact O-CB 3.27Å; A74-A78 WeakPolarHBondContact O-CB 3.19Å; A74-A78 PolarHBondContact O-N 3.09Å; A74-G128 WeakPolarHBondContact CA-O 3.45Å; A74-G128 WeakPolarHBondContact CB-O 3.45Å; A74-G132 WeakPolarHBondContact O-CA 3.38Å; A74-W417 HydrophobicContact CB-CD2 3.49Å; A74-W417 VanDerWaalsContact CB-CD2 3.49Å; A74-W417 HydrophobicContact CB-CE3 3.62Å; A74-W417 HydrophobicContact CB-CG 4.1Å; A74-W417 HydrophobicContact CB-CH2 3.87Å; A74-W417 HydrophobicContact CB-CZ2 3.76Å; A74-W417 HydrophobicContact CB-CZ3 3.81Å |
| 75 | A | 92.6 | Very high | 93.5 | Very high | 22 Ų | 22 | 34 Ų | 34 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V71 V72 A73 A78 F79 W417 | V71-A75 PolarHBondContact O-N 3.07Å; V72-A75 WeakPolarHBondContact O-CB 3.31Å; V72-A75 PolarHBondContact O-N 3.13Å; A73-A75 VanDerWaalsContact C-N 3.34Å; A73-A75 PolarHBondContact O-N 3.15Å; A75-A78 PolarHBondContact O-N 3.27Å; A75-F79 PolarHBondContact O-N 3.21Å; A75-W417 VanDerWaalsContact CA-CB 3.5Å; A75-W417 HydrophobicContact CB-CB 3.54Å; A75-W417 HydrophobicContact CB-CG 4.44Å |
| 76 | I | 94.3 | Very high | 93.4 | Very high | 88 Ų | 88 | 32.3 Ų | 32.3 | 45% | 0.451 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.3 | -46.9 | 175.7 | -63.2 | 167.3 | 0 | 0 | 0 | 110.1 | V72 A73 A78 F79 S80 F125 I129 | V72-I76 HydrophobicContact CG1-CD1 4.27Å; V72-I76 WeakPolarHBondContact O-CG1 3.22Å; V72-I76 PolarHBondContact O-N 3.31Å; V72-I76 VanDerWaalsContact O-N 3.12Å; A73-I76 PolarHBondContact O-N 3.15Å; I76-A78 VanDerWaalsContact C-N 3.34Å; I76-A78 PolarHBondContact O-N 3.14Å; I76-F79 PolarHBondContact O-N 2.83Å; I76-S80 PolarHBondContact O-N 3.13Å; I76-F125 HydrophobicContact CD1-CE2 4.48Å; I76-F125 HydrophobicContact CD1-CZ 4.5Å; I76-I129 HydrophobicContact CB-CD1 3.89Å; I76-I129 HydrophobicContact CG2-CD1 3.73Å |
| 77 | G | 96 | Very high | 93.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58 | -46.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A73 A74 F79 S80 C81 G132 I133 | A73-G77 PolarHBondContact O-N 2.94Å; A74-G77 PolarHBondContact O-N 2.7Å; G77-F79 VanDerWaalsContact C-N 3.33Å; G77-F79 PolarHBondContact O-N 3.26Å; G77-S80 PolarHBondContact O-N 3.48Å; G77-S80 VanDerWaalsContact O-N 3.14Å; G77-S80 PolarHBondContact O-OG 3.48Å; G77-C81 PolarHBondContact O-N 3.28Å; G77-C81 VanDerWaalsContact O-N 3.13Å; G77-G132 VanDerWaalsContact C-C 3.43Å; G77-I133 WeakPolarHBondContact O-CG1 3.15Å |
| 78 | A | 94 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.8 | -37.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A74 A75 I76 S80 C81 G132 I135 Q413 W417 | A74-A78 VanDerWaalsContact O-CB 3.27Å; A74-A78 WeakPolarHBondContact O-CB 3.19Å; A74-A78 PolarHBondContact O-N 3.09Å; A75-A78 PolarHBondContact O-N 3.27Å; I76-A78 VanDerWaalsContact C-N 3.34Å; I76-A78 PolarHBondContact O-N 3.14Å; A78-S80 VanDerWaalsContact C-N 3.28Å; A78-S80 PolarHBondContact O-N 3.44Å; A78-C81 PolarHBondContact O-N 3.18Å; A78-C81 PolarHBondContact O-SG 2.9Å; A78-G132 VanDerWaalsContact CA-O 3.27Å; A78-G132 WeakPolarHBondContact CA-O 3.44Å; A78-G132 PolarHBondContact N-O 3.4Å; A78-I135 HydrophobicContact CB-CG2 4.37Å; A78-Q413 HydrophobicContact CB-CB 3.81Å; A78-W417 VanDerWaalsContact CB-CD1 3.46Å |
| 79 | F | 92.1 | Very high | 93.4 | Very high | 116 Ų | 116 | 35.5 Ų | 35.5 | 51% | 0.509 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.4 | -36.6 | 175.8 | -169.1 | -102.9 | 0 | 0 | 0 | 111.9 | A75 I76 G77 F257 S414 | A75-F79 PolarHBondContact O-N 3.21Å; I76-F79 PolarHBondContact O-N 2.83Å; G77-F79 VanDerWaalsContact C-N 3.33Å; G77-F79 PolarHBondContact O-N 3.26Å; F79-F257 AromaticContact CE2-CZ 3.94Å; F79-F257 HydrophobicContact CE2-CZ 3.94Å; F79-F257 HydrophobicContact CZ-CZ 4.25Å; F79-S414 WeakPolarHBondContact CA-OG 3.49Å; F79-S414 WeakPolarHBondContact CB-OG 3.34Å; F79-S414 PolarHBondContact N-OG 3.47Å; F79-S414 VanDerWaalsContact N-OG 3.11Å |
| 80 | S | 92.9 | Very high | 93.5 | Very high | 34 Ų | 34 | 33.8 Ų | 33.8 | 24% | 0.238 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -80.1 | -12.1 | 179.6 | 71.2 | 0 | 0 | 0 | 0 | 114.4 | I76 G77 A78 G82 W83 V84 | I76-S80 PolarHBondContact O-N 3.13Å; G77-S80 PolarHBondContact O-N 3.48Å; G77-S80 VanDerWaalsContact O-N 3.14Å; G77-S80 PolarHBondContact O-OG 3.48Å; A78-S80 VanDerWaalsContact C-N 3.28Å; A78-S80 PolarHBondContact O-N 3.44Å; S80-G82 VanDerWaalsContact C-N 3.31Å; S80-G82 PolarHBondContact O-N 2.88Å; S80-W83 PolarHBondContact O-N 3.49Å; S80-V84 WeakPolarHBondContact O-CG2 3.33Å; S80-V84 PolarHBondContact O-N 3.29Å; S80-V84 VanDerWaalsContact O-N 3.11Å |
| 81 | C | 92.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.1 | -36.1 | -170.7 | 79.4 | 0 | 0 | 0 | 0 | 113.4 | G77 A78 V84 A85 I137 S410 | G77-C81 PolarHBondContact O-N 3.28Å; G77-C81 VanDerWaalsContact O-N 3.13Å; A78-C81 PolarHBondContact O-N 3.18Å; A78-C81 PolarHBondContact O-SG 2.9Å; C81-V84 PolarHBondContact O-N 3.45Å; C81-A85 VanDerWaalsContact O-CB 3.25Å; C81-A85 WeakPolarHBondContact O-CB 3.35Å; C81-A85 PolarHBondContact O-N 3.23Å; C81-I137 HydrophobicContact CB-CG1 4.34Å; C81-S410 PolarHBondContact SG-OG 2.89Å |
| 82 | G | 88.9 | Confident | 93.8 | Very high | 5 Ų | 5 | 38.8 Ų | 38.8 | 5% | 0.052 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.8 | -36.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S80 A85 D86 S410 | S80-G82 VanDerWaalsContact C-N 3.31Å; S80-G82 PolarHBondContact O-N 2.88Å; G82-A85 PolarHBondContact O-N 2.93Å; G82-D86 WeakPolarHBondContact O-CB 3.35Å; G82-D86 PolarHBondContact O-N 3.09Å; G82-S410 WeakPolarHBondContact CA-OG 3.02Å; G82-S410 PolarHBondContact N-OG 3.18Å |
| 83 | W | 90.6 | Very high | 93.9 | Very high | 208 Ų | 208 | 36.2 Ų | 36.2 | 79% | 0.788 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -63.2 | -44.4 | 173.1 | 174.8 | 65.8 | 0 | 0 | 0 | 111 | S80 G87 | S80-W83 PolarHBondContact O-N 3.49Å; W83-G87 PolarHBondContact O-N 3.39Å |
| 84 | V | 94.4 | Very high | 94 | Very high | 13 Ų | 13 | 36.2 Ų | 36.2 | 8% | 0.079 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.1 | -45.9 | 175.4 | 178.7 | 0 | 0 | 0 | 0 | 111 | S80 C81 D86 G87 L88 I137 | S80-V84 WeakPolarHBondContact O-CG2 3.33Å; S80-V84 PolarHBondContact O-N 3.29Å; S80-V84 VanDerWaalsContact O-N 3.11Å; C81-V84 PolarHBondContact O-N 3.45Å; V84-D86 PolarHBondContact O-N 2.94Å; V84-G87 PolarHBondContact O-N 3.47Å; V84-L88 HydrophobicContact CG1-CD1 4.16Å; V84-L88 WeakPolarHBondContact O-CB 3.38Å; V84-L88 PolarHBondContact O-N 3.07Å; V84-I137 HydrophobicContact CB-CD1 3.9Å; V84-I137 HydrophobicContact CG1-CD1 3.49Å; V84-I137 VanDerWaalsContact CG1-CD1 3.49Å |
| 85 | A | 92.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.9 | -40 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | C81 G82 G89 R90 I137 L140 F211 | C81-A85 VanDerWaalsContact O-CB 3.25Å; C81-A85 WeakPolarHBondContact O-CB 3.35Å; C81-A85 PolarHBondContact O-N 3.23Å; G82-A85 PolarHBondContact O-N 2.93Å; A85-G89 CarbonylContact O-C 3.55Å; A85-G89 WeakPolarHBondContact O-CA 3.32Å; A85-G89 PolarHBondContact O-N 2.87Å; A85-R90 PolarHBondContact O-NH1 3.48Å; A85-I137 HydrophobicContact CB-CG1 4.25Å; A85-L140 HydrophobicContact CB-CD1 4.33Å; A85-F211 WeakPolarHBondContact O-CE2 3.37Å |
| 86 | D | 89.8 | Confident | 94.3 | Very high | 46 Ų | 46 | 41.1 Ų | 41.1 | 25% | 0.246 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -79.8 | -33 | 179.8 | -84.6 | -1.8 | 0 | 0 | 0 | 113.1 | G82 V84 R90 F211 K215 A406 | G82-D86 WeakPolarHBondContact O-CB 3.35Å; G82-D86 PolarHBondContact O-N 3.09Å; V84-D86 PolarHBondContact O-N 2.94Å; D86-R90 IonicContact OD1-NH1 3.62Å; D86-F211 WeakPolarHBondContact O-CE2 3.25Å; D86-K215 WeakPolarHBondContact OD1-CE 3.15Å; D86-K215 IonicContact OD1-NZ 3.47Å; D86-K215 IonicContact OD2-NZ 2.69Å; D86-K215 PolarHBondContact OD2-NZ 3.19Å; D86-A406 WeakPolarHBondContact OD1-CB 3.36Å |
| 87 | G | 91.1 | Very high | 94.5 | Very high | 36 Ų | 36 | 37 Ų | 37 | 37% | 0.371 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -76.4 | -56.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | W83 V84 K216 | W83-G87 PolarHBondContact O-N 3.39Å; V84-G87 PolarHBondContact O-N 3.47Å; G87-K216 PolarHBondContact O-NZ 3.02Å |
| 88 | L | 95 | Very high | 94.6 | Very high | 76 Ų | 76 | 37 Ų | 37 | 40% | 0.398 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -92.9 | -25.2 | -171.5 | -60.3 | -176.1 | 0 | 0 | 0 | 113.4 | V84 N92 L96 | V84-L88 HydrophobicContact CG1-CD1 4.16Å; V84-L88 WeakPolarHBondContact O-CB 3.38Å; V84-L88 PolarHBondContact O-N 3.07Å; L88-N92 HydrophobicContact CB-CB 4.27Å; L88-N92 WeakPolarHBondContact O-CB 3.44Å; L88-N92 PolarHBondContact O-ND2 3.37Å; L88-N92 VanDerWaalsContact O-ND2 3.09Å; L88-L96 HydrophobicContact CD1-CB 4.35Å; L88-L96 HydrophobicContact CD1-CD2 3.54Å |
| 89 | G | 94.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | 96.3 | -177.1 | -167.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A85 G93 | A85-G89 CarbonylContact O-C 3.55Å; A85-G89 WeakPolarHBondContact O-CA 3.32Å; A85-G89 PolarHBondContact O-N 2.87Å; G89-G93 PolarHBondContact O-N 3.01Å | ||
| 90 | R | 96.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -84.9 | -53.9 | -172.3 | -72.8 | 59.6 | 167.9 | 142.3 | 5.2 | 109.1 | A85 D86 G93 L94 I137 L140 Y141 E144 E207 F211 Q402 | A85-R90 PolarHBondContact O-NH1 3.48Å; D86-R90 IonicContact OD1-NH1 3.62Å; R90-G93 PolarHBondContact O-N 3.46Å; R90-L94 WeakPolarHBondContact O-CG 3.48Å; R90-L94 PolarHBondContact O-N 3.37Å; R90-I137 HydrophobicContact CB-CG2 4.15Å; R90-I137 HydrophobicContact CG-CG2 4.45Å; R90-I137 VanDerWaalsContact O-CG2 3.27Å; R90-I137 WeakPolarHBondContact O-CG2 3.37Å; R90-L140 HydrophobicContact CG-CB 4.41Å; R90-Y141 HydrophobicContact CB-CD2 3.51Å; R90-Y141 HydrophobicContact CB-CE2 4.31Å; R90-Y141 HydrophobicContact CB-CG 3.74Å; R90-Y141 HydrophobicContact CG-CD2 4.35Å; R90-E144 IonicContact CZ-OE1 3.82Å; R90-E144 IonicContact CZ-OE2 3.34Å; R90-E144 IonicContact NE-OE1 2.76Å; R90-E144 PolarHBondContact NE-OE1 2.91Å; R90-E144 IonicContact NE-OE2 3.32Å; R90-E144 PolarHBondContact NE-OE2 2.98Å; R90-E144 IonicContact NH2-OE1 3.41Å; R90-E144 PolarHBondContact NH2-OE1 2.99Å; R90-E144 IonicContact NH2-OE2 2.72Å; R90-E144 PolarHBondContact NH2-OE2 3.01Å; R90-E207 WeakPolarHBondContact CB-OE1 3.36Å; R90-E207 PolarHBondContact N-OE1 2.79Å; R90-E207 PolarHBondContact N-OE2 3.32Å; R90-E207 VanDerWaalsContact N-OE2 3.16Å; R90-F211 VanDerWaalsContact NH1-CD2 3.27Å; R90-Q402 VanDerWaalsContact NH2-NE2 3.12Å |
| 91 | R | 97.5 | Very high | 95.3 | Very high | 57 Ų | 57 | 34.8 Ų | 34.8 | 22% | 0.215 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.9 | -53.2 | 177 | -176.9 | -163.3 | 71.3 | -161.4 | -0.7 | 111.6 | G93 L94 I95 Y141 L202 C205 E207 | R91-G93 VanDerWaalsContact C-N 3.31Å; R91-G93 PolarHBondContact O-N 2.79Å; R91-L94 PolarHBondContact O-N 2.98Å; R91-I95 HydrophobicContact CG-CD1 4.17Å; R91-I95 WeakPolarHBondContact O-CG1 3.19Å; R91-I95 PolarHBondContact O-N 2.91Å; R91-Y141 HydrophobicContact CB-CE1 4.43Å; R91-Y141 HydrophobicContact CB-CE2 4.35Å; R91-L202 VanDerWaalsContact CD-O 3.29Å; R91-L202 WeakPolarHBondContact CD-O 3.41Å; R91-L202 HydrophobicContact CG-CB 4.42Å; R91-L202 HydrophobicContact CG-CD2 4.48Å; R91-C205 WeakPolarHBondContact CD-O 3.26Å; R91-C205 PolarHBondContact NH1-O 3.24Å; R91-C205 VanDerWaalsContact NH1-O 3.11Å; R91-E207 HydrophobicContact CB-CB 4.5Å; R91-E207 WeakPolarHBondContact CB-OE2 3.29Å; R91-E207 PolarHBondContact N-OE1 2.75Å; R91-E207 PolarHBondContact N-OE2 3.46Å; R91-E207 VanDerWaalsContact N-OE2 3.09Å |
| 92 | N | 97.3 | Very high | 95.5 | Very high | 59 Ų | 59 | 36.6 Ų | 36.6 | 32% | 0.316 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -70.1 | -31.1 | -176.9 | -54.4 | -35.7 | 0 | 0 | 0 | 112.1 | L88 I95 L96 E207 | L88-N92 HydrophobicContact CB-CB 4.27Å; L88-N92 WeakPolarHBondContact O-CB 3.44Å; L88-N92 PolarHBondContact O-ND2 3.37Å; L88-N92 VanDerWaalsContact O-ND2 3.09Å; N92-I95 PolarHBondContact O-N 3.21Å; N92-L96 PolarHBondContact O-N 3.39Å; N92-E207 PolarHBondContact N-OE2 3.41Å |
| 93 | G | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.4 | -44.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | G89 R90 R91 N97 | G89-G93 PolarHBondContact O-N 3.01Å; R90-G93 PolarHBondContact O-N 3.46Å; R91-G93 VanDerWaalsContact C-N 3.31Å; R91-G93 PolarHBondContact O-N 2.79Å; G93-N97 VanDerWaalsContact O-CB 3.26Å; G93-N97 WeakPolarHBondContact O-CB 3.36Å; G93-N97 PolarHBondContact O-N 3.32Å |
| 94 | L | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.2 | -39 | 174.9 | -68.7 | 173 | 0 | 0 | 0 | 112.8 | T20 R90 R91 N97 N98 I137 A138 Y141 L202 | T20-L94 HydrophobicContact CG2-CD1 3.86Å; R90-L94 WeakPolarHBondContact O-CG 3.48Å; R90-L94 PolarHBondContact O-N 3.37Å; R91-L94 PolarHBondContact O-N 2.98Å; L94-N97 PolarHBondContact O-N 2.9Å; L94-N98 WeakPolarHBondContact O-CB 3.47Å; L94-N98 PolarHBondContact O-N 2.76Å; L94-N98 PolarHBondContact O-ND2 2.9Å; L94-I137 HydrophobicContact CD1-CG2 4.41Å; L94-I137 HydrophobicContact CD2-CB 4Å; L94-I137 HydrophobicContact CD2-CG2 3.95Å; L94-I137 HydrophobicContact CG-CB 4.34Å; L94-I137 HydrophobicContact CG-CG2 3.72Å; L94-A138 HydrophobicContact CD2-CB 4.26Å; L94-Y141 HydrophobicContact CD1-CD1 3.59Å; L94-Y141 HydrophobicContact CD1-CE1 4.27Å; L94-Y141 HydrophobicContact CD1-CG 4.36Å; L94-L202 HydrophobicContact CB-CD1 3.69Å |
| 95 | I | 98.2 | Very high | 96.4 | Very high | 37 Ų | 37 | 30 Ų | 30 | 19% | 0.19 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.5 | -52.7 | 175.5 | -71.5 | 168.3 | 0 | 0 | 0 | 110.5 | R91 N92 N97 N98 V99 L199 L202 P203 | R91-I95 HydrophobicContact CG-CD1 4.17Å; R91-I95 WeakPolarHBondContact O-CG1 3.19Å; R91-I95 PolarHBondContact O-N 2.91Å; N92-I95 PolarHBondContact O-N 3.21Å; I95-N97 VanDerWaalsContact C-N 3.27Å; I95-N97 PolarHBondContact O-N 2.68Å; I95-N98 PolarHBondContact O-N 3.45Å; I95-V99 PolarHBondContact O-N 3.06Å; I95-L199 HydrophobicContact CG2-CD1 3.79Å; I95-L199 WeakPolarHBondContact O-CD1 3.4Å; I95-L202 HydrophobicContact CD1-CB 3.99Å; I95-L202 HydrophobicContact CG1-CB 3.61Å; I95-L202 HydrophobicContact CG1-CD1 3.98Å; I95-L202 HydrophobicContact CG1-CG 4.47Å; I95-P203 HydrophobicContact CD1-CG 3.9Å |
| 96 | L | 97.2 | Very high | 96.6 | Very high | 88 Ų | 88 | 34.7 Ų | 34.7 | 46% | 0.461 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58 | -44.3 | 176.3 | 174.7 | 63.3 | 0 | 0 | 0 | 110.8 | L88 N92 N98 V99 I100 | L88-L96 HydrophobicContact CD1-CB 4.35Å; L88-L96 HydrophobicContact CD1-CD2 3.54Å; N92-L96 PolarHBondContact O-N 3.39Å; L96-N98 VanDerWaalsContact C-N 3.33Å; L96-N98 PolarHBondContact O-N 2.95Å; L96-V99 WeakPolarHBondContact O-CB 3.37Å; L96-V99 PolarHBondContact O-N 2.83Å; L96-V99 VanDerWaalsContact O-N 3.16Å; L96-I100 PolarHBondContact O-N 3.43Å |
| 97 | N | 97.7 | Very high | 97 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.4 | -31.7 | -176.3 | -162.9 | 45.2 | 0 | 0 | 0 | 113.2 | G93 L94 I95 V99 I100 G101 N130 I133 T134 | G93-N97 VanDerWaalsContact O-CB 3.26Å; G93-N97 WeakPolarHBondContact O-CB 3.36Å; G93-N97 PolarHBondContact O-N 3.32Å; L94-N97 PolarHBondContact O-N 2.9Å; I95-N97 VanDerWaalsContact C-N 3.27Å; I95-N97 PolarHBondContact O-N 2.68Å; N97-V99 VanDerWaalsContact C-N 3.27Å; N97-V99 PolarHBondContact O-N 2.98Å; N97-I100 WeakPolarHBondContact O-CB 3.47Å; N97-I100 PolarHBondContact O-N 2.99Å; N97-I100 VanDerWaalsContact O-N 3.14Å; N97-G101 PolarHBondContact O-N 3.39Å; N97-N130 PolarHBondContact ND2-ND2 3.22Å; N97-N130 PolarHBondContact ND2-O 3.15Å; N97-N130 PolarHBondContact O-ND2 3.45Å; N97-N130 WeakPolarHBondContact OD1-CA 3.43Å; N97-I133 HydrophobicContact CB-CG2 3.95Å; N97-I133 WeakPolarHBondContact OD1-CB 3.23Å; N97-T134 PolarHBondContact ND2-N 3.09Å; N97-T134 PolarHBondContact ND2-OG1 3.02Å |
| 98 | N | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63 | -34.5 | 173.5 | -73.2 | -22.8 | 0 | 0 | 0 | 111.6 | S24 L94 I95 L96 I100 G101 I102 A195 S198 L199 L202 | S24-N98 PolarHBondContact OG-OD1 3.22Å; L94-N98 WeakPolarHBondContact O-CB 3.47Å; L94-N98 PolarHBondContact O-N 2.76Å; L94-N98 PolarHBondContact O-ND2 2.9Å; I95-N98 PolarHBondContact O-N 3.45Å; L96-N98 VanDerWaalsContact C-N 3.33Å; L96-N98 PolarHBondContact O-N 2.95Å; N98-I100 VanDerWaalsContact C-N 3.32Å; N98-I100 PolarHBondContact O-N 2.84Å; N98-G101 PolarHBondContact O-N 3.25Å; N98-I102 VanDerWaalsContact O-CG1 3.27Å; N98-I102 WeakPolarHBondContact O-CG1 3.46Å; N98-I102 PolarHBondContact O-N 3.07Å; N98-A195 HydrophobicContact CB-CB 4.3Å; N98-S198 WeakPolarHBondContact ND2-CB 3.39Å; N98-S198 PolarHBondContact ND2-OG 3.07Å; N98-L199 HydrophobicContact CB-CB 4.36Å; N98-L199 HydrophobicContact CB-CD1 4.39Å; N98-L202 WeakPolarHBondContact ND2-CD1 3.43Å |
| 99 | V | 98 | Very high | 97.3 | Very high | 58 Ų | 58 | 30.2 Ų | 30.2 | 35% | 0.352 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 172.5 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | I95 L96 N97 G101 I102 I103 L199 | I95-V99 PolarHBondContact O-N 3.06Å; L96-V99 WeakPolarHBondContact O-CB 3.37Å; L96-V99 PolarHBondContact O-N 2.83Å; L96-V99 VanDerWaalsContact O-N 3.16Å; N97-V99 VanDerWaalsContact C-N 3.27Å; N97-V99 PolarHBondContact O-N 2.98Å; V99-G101 VanDerWaalsContact C-N 3.33Å; V99-G101 PolarHBondContact O-N 2.94Å; V99-I102 PolarHBondContact O-N 3.42Å; V99-I103 HydrophobicContact CG1-CD1 3.93Å; V99-I103 HydrophobicContact CG1-CG1 4.48Å; V99-I103 VanDerWaalsContact O-CG1 3.31Å; V99-I103 WeakPolarHBondContact O-CG1 3.1Å; V99-I103 PolarHBondContact O-N 3.27Å; V99-L199 HydrophobicContact CG2-CD1 3.7Å; V99-L199 HydrophobicContact CG2-CD2 4.22Å |
| 100 | I | 97.8 | Very high | 97.4 | Very high | 41 Ų | 41 | 32.5 Ų | 32.5 | 21% | 0.21 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.4 | -45.7 | 175.6 | -57 | 176.8 | 0 | 0 | 0 | 110.2 | L96 N97 N98 I102 I103 G104 V126 I129 N130 I133 | L96-I100 PolarHBondContact O-N 3.43Å; N97-I100 WeakPolarHBondContact O-CB 3.47Å; N97-I100 PolarHBondContact O-N 2.99Å; N97-I100 VanDerWaalsContact O-N 3.14Å; N98-I100 VanDerWaalsContact C-N 3.32Å; N98-I100 PolarHBondContact O-N 2.84Å; I100-I102 PolarHBondContact O-N 2.83Å; I100-I103 PolarHBondContact O-N 3.03Å; I100-G104 PolarHBondContact O-N 3.01Å; I100-V126 HydrophobicContact CG2-CG1 3.69Å; I100-V126 WeakPolarHBondContact CG2-O 3.07Å; I100-V126 WeakPolarHBondContact O-CG1 3.45Å; I100-I129 HydrophobicContact CG2-CG2 4.39Å; I100-N130 HydrophobicContact CB-CB 4.35Å; I100-N130 HydrophobicContact CG2-CB 4.02Å; I100-I133 HydrophobicContact CD1-CD1 4.26Å |
| 101 | G | 97.3 | Very high | 97.4 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.2 | -42.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | N97 N98 V99 G104 G105 | N97-G101 PolarHBondContact O-N 3.39Å; N98-G101 PolarHBondContact O-N 3.25Å; V99-G101 VanDerWaalsContact C-N 3.33Å; V99-G101 PolarHBondContact O-N 2.94Å; G101-G104 PolarHBondContact O-N 3.47Å; G101-G105 PolarHBondContact O-N 2.96Å; G101-G105 VanDerWaalsContact O-N 3.1Å |
| 102 | I | 98.1 | Very high | 97.4 | Very high | 39 Ų | 39 | 30.7 Ų | 30.7 | 20% | 0.2 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.6 | -48.7 | 177 | -66.4 | 162.2 | 0 | 0 | 0 | 110.8 | N98 V99 I100 G104 G105 V106 A192 A195 A196 L199 | N98-I102 VanDerWaalsContact O-CG1 3.27Å; N98-I102 WeakPolarHBondContact O-CG1 3.46Å; N98-I102 PolarHBondContact O-N 3.07Å; V99-I102 PolarHBondContact O-N 3.42Å; I100-I102 PolarHBondContact O-N 2.83Å; I102-G104 VanDerWaalsContact C-N 3.26Å; I102-G104 PolarHBondContact O-N 2.87Å; I102-G105 PolarHBondContact O-N 3.22Å; I102-V106 HydrophobicContact CG2-CG2 4.26Å; I102-V106 WeakPolarHBondContact O-CG2 3.31Å; I102-V106 PolarHBondContact O-N 2.93Å; I102-A192 HydrophobicContact CB-CB 4.41Å; I102-A192 HydrophobicContact CG1-CB 4.34Å; I102-A192 HydrophobicContact CG2-CB 4.36Å; I102-A195 HydrophobicContact CD1-CB 4.38Å; I102-A195 HydrophobicContact CG1-CB 3.77Å; I102-A196 HydrophobicContact CD1-CB 4.05Å; I102-A196 HydrophobicContact CG1-CB 4.48Å; I102-L199 HydrophobicContact CD1-CD2 3.95Å |
| 103 | I | 98.4 | Very high | 97.2 | Very high | 86 Ų | 86 | 34.7 Ų | 34.7 | 44% | 0.441 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -55.5 | -46.6 | 177.7 | -69.6 | 168 | 0 | 0 | 0 | 109.9 | V99 I100 G105 V106 I107 V126 | V99-I103 HydrophobicContact CG1-CD1 3.93Å; V99-I103 HydrophobicContact CG1-CG1 4.48Å; V99-I103 VanDerWaalsContact O-CG1 3.31Å; V99-I103 WeakPolarHBondContact O-CG1 3.1Å; V99-I103 PolarHBondContact O-N 3.27Å; I100-I103 PolarHBondContact O-N 3.03Å; I103-G105 PolarHBondContact O-N 3.35Å; I103-V106 PolarHBondContact O-N 3.47Å; I103-I107 HydrophobicContact CG2-CD1 3.6Å; I103-I107 HydrophobicContact CG2-CG1 4.3Å; I103-I107 VanDerWaalsContact O-CG1 3.23Å; I103-I107 WeakPolarHBondContact O-CG1 3.24Å; I103-I107 PolarHBondContact O-N 3.28Å; I103-V126 HydrophobicContact CB-CG1 4.39Å; I103-V126 HydrophobicContact CG2-CG1 4.21Å |
| 104 | G | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58 | -47.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I100 G101 I102 I107 V108 | I100-G104 PolarHBondContact O-N 3.01Å; G101-G104 PolarHBondContact O-N 3.47Å; I102-G104 VanDerWaalsContact C-N 3.26Å; I102-G104 PolarHBondContact O-N 2.87Å; G104-I107 PolarHBondContact O-N 3.19Å; G104-V108 PolarHBondContact O-N 2.89Å |
| 105 | G | 96.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | G101 I102 I103 I107 V108 G109 A189 | G101-G105 PolarHBondContact O-N 2.96Å; G101-G105 VanDerWaalsContact O-N 3.1Å; I102-G105 PolarHBondContact O-N 3.22Å; I103-G105 PolarHBondContact O-N 3.35Å; G105-I107 VanDerWaalsContact C-N 3.33Å; G105-I107 PolarHBondContact O-N 2.83Å; G105-V108 PolarHBondContact O-N 2.69Å; G105-G109 PolarHBondContact O-N 2.82Å; G105-A189 WeakPolarHBondContact O-CA 3.33Å; G105-A189 WeakPolarHBondContact O-CB 3.14Å |
| 106 | V | 97.2 | Very high | 96.8 | Very high | 97 Ų | 97 | 49.6 Ų | 49.6 | 59% | 0.588 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64 | -37.6 | 178.7 | 170.6 | 0 | 0 | 0 | 0 | 111.7 | I102 I103 P110 | I102-V106 HydrophobicContact CG2-CG2 4.26Å; I102-V106 WeakPolarHBondContact O-CG2 3.31Å; I102-V106 PolarHBondContact O-N 2.93Å; I103-V106 PolarHBondContact O-N 3.47Å; V106-P110 WeakPolarHBondContact O-CD 3.18Å |
| 107 | I | 97.9 | Very high | 96.7 | Very high | 42 Ų | 42 | 46 Ų | 46 | 22% | 0.215 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 177.2 | -69.6 | 168.8 | 0 | 0 | 0 | 111.3 | I103 G104 G105 P110 L119 V122 V126 | I103-I107 HydrophobicContact CG2-CD1 3.6Å; I103-I107 HydrophobicContact CG2-CG1 4.3Å; I103-I107 VanDerWaalsContact O-CG1 3.23Å; I103-I107 WeakPolarHBondContact O-CG1 3.24Å; I103-I107 PolarHBondContact O-N 3.28Å; G104-I107 PolarHBondContact O-N 3.19Å; G105-I107 VanDerWaalsContact C-N 3.33Å; G105-I107 PolarHBondContact O-N 2.83Å; I107-P110 WeakPolarHBondContact O-CD 3.24Å; I107-L119 HydrophobicContact CG2-CB 4.47Å; I107-L119 HydrophobicContact CG2-CD2 4.16Å; I107-L119 WeakPolarHBondContact CG2-O 3.49Å; I107-V122 HydrophobicContact CD1-CG1 4.15Å; I107-V122 HydrophobicContact CG2-CB 4.22Å; I107-V122 HydrophobicContact CG2-CG1 4.18Å; I107-V126 HydrophobicContact CD1-CG2 4.42Å |
| 108 | V | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.4 | -40.6 | -178.8 | 179.1 | 0 | 0 | 0 | 0 | 112 | G104 G105 P110 C111 L120 I127 P185 V188 | G104-V108 PolarHBondContact O-N 2.89Å; G105-V108 PolarHBondContact O-N 2.69Å; V108-P110 VanDerWaalsContact O-N 3.13Å; V108-C111 VanDerWaalsContact O-CB 3.28Å; V108-C111 WeakPolarHBondContact O-CB 3.41Å; V108-C111 PolarHBondContact O-N 2.76Å; V108-C111 PolarHBondContact O-SG 3.41Å; V108-L120 HydrophobicContact CG1-CD1 3.76Å; V108-L120 HydrophobicContact CG2-CD1 4.45Å; V108-I127 HydrophobicContact CG2-CD1 4.26Å; V108-P185 HydrophobicContact CG1-CB 4.45Å; V108-V188 HydrophobicContact CB-CB 4.35Å; V108-V188 HydrophobicContact CB-CG1 4.01Å; V108-V188 HydrophobicContact CG1-CB 3.78Å; V108-V188 HydrophobicContact CG1-CG1 3.8Å; V108-V188 HydrophobicContact CG1-CG2 4.18Å; V108-V188 HydrophobicContact CG2-CG1 4.03Å |
| 109 | G | 94.6 | Very high | 96.7 | Very high | 22 Ų | 22 | 50.5 Ų | 50.5 | 23% | 0.227 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -43.5 | -49.4 | -171 | 0 | 0 | 0 | 0 | 0 | 116.2 | G105 C111 P185 | G105-G109 PolarHBondContact O-N 2.82Å; G109-C111 VanDerWaalsContact C-N 3.35Å; G109-C111 PolarHBondContact O-N 3.45Å; G109-P185 WeakPolarHBondContact O-CB 3.49Å |
| 110 | P | 96.2 | Very high | 96.7 | Very high | 48 Ų | 48 | 47.8 Ų | 47.8 | 31% | 0.312 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 3.6 | -177.9 | 29.6 | -32.9 | 0 | 0 | 0 | 115.5 | V106 I107 V108 V112 L113 V114 L119 | V106-P110 WeakPolarHBondContact O-CD 3.18Å; I107-P110 WeakPolarHBondContact O-CD 3.24Å; V108-P110 VanDerWaalsContact O-N 3.13Å; P110-V112 VanDerWaalsContact C-N 3.31Å; P110-V112 PolarHBondContact O-N 3.06Å; P110-L113 PolarHBondContact O-N 3.43Å; P110-L113 VanDerWaalsContact O-N 3.13Å; P110-V114 HydrophobicContact CB-CG2 4.1Å; P110-V114 PolarHBondContact O-N 2.83Å; P110-L119 HydrophobicContact CG-CD1 4.22Å |
| 111 | C | 96.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -37.5 | -168.9 | 72.7 | 0 | 0 | 0 | 0 | 114.4 | Y45 V108 G109 K115 Q116 L119 L120 | Y45-C111 PolarHBondContact OH-O 2.99Å; V108-C111 VanDerWaalsContact O-CB 3.28Å; V108-C111 WeakPolarHBondContact O-CB 3.41Å; V108-C111 PolarHBondContact O-N 2.76Å; V108-C111 PolarHBondContact O-SG 3.41Å; G109-C111 VanDerWaalsContact C-N 3.35Å; G109-C111 PolarHBondContact O-N 3.45Å; C111-K115 WeakPolarHBondContact O-CA 3.42Å; C111-K115 PolarHBondContact O-N 3.05Å; C111-Q116 PolarHBondContact O-N 3.07Å; C111-L119 HydrophobicContact CB-CB 3.79Å; C111-L120 HydrophobicContact CB-CB 4.42Å |
| 112 | V | 96.1 | Very high | 96.8 | Very high | 20 Ų | 20 | 51.2 Ų | 51.2 | 12% | 0.121 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -44.3 | 176.1 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | Y45 P110 V114 K115 W184 P185 | Y45-V112 HydrophobicContact CD2-CG2 3.83Å; Y45-V112 HydrophobicContact CE2-CB 4.41Å; Y45-V112 HydrophobicContact CE2-CG2 3.94Å; Y45-V112 HydrophobicContact CG-CG2 4.32Å; P110-V112 VanDerWaalsContact C-N 3.31Å; P110-V112 PolarHBondContact O-N 3.06Å; V112-V114 VanDerWaalsContact C-N 3.3Å; V112-V114 PolarHBondContact O-N 2.97Å; V112-K115 PolarHBondContact O-N 3.24Å; V112-W184 HydrophobicContact CG2-CZ2 3.72Å; V112-P185 HydrophobicContact CB-CG 3.93Å; V112-P185 HydrophobicContact CG2-CG 3.35Å |
| 113 | L | 94.1 | Very high | 96.8 | Very high | 144 Ų | 144 | 49.4 Ų | 49.4 | 75% | 0.754 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -39.9 | -178.9 | -66.3 | 174.8 | 0 | 0 | 0 | 112.5 | P110 | P110-L113 PolarHBondContact O-N 3.43Å; P110-L113 VanDerWaalsContact O-N 3.13Å |
| 114 | V | 95.7 | Very high | 96.7 | Very high | 97 Ų | 97 | 45.6 Ų | 45.6 | 59% | 0.588 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -2 | -179.8 | -174.4 | 0 | 0 | 0 | 0 | 111.7 | P110 V112 Q116 L119 | P110-V114 HydrophobicContact CB-CG2 4.1Å; P110-V114 PolarHBondContact O-N 2.83Å; V112-V114 VanDerWaalsContact C-N 3.3Å; V112-V114 PolarHBondContact O-N 2.97Å; V114-Q116 HydrophobicContact CB-CB 4.5Å; V114-Q116 HydrophobicContact CG1-CB 4.19Å; V114-Q116 PolarHBondContact O-N 3.19Å; V114-L119 HydrophobicContact CB-CD1 4.48Å |
| 115 | K | 94.1 | Very high | 96.8 | Very high | 155 Ų | 155 | 49.8 Ų | 49.8 | 67% | 0.674 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 39.4 | -175.2 | -58.7 | -174.3 | 177.2 | -172.9 | 0 | 113.1 | T49 C111 V112 P117 | T49-K115 HydrophobicContact CG2-CB 4.4Å; C111-K115 WeakPolarHBondContact O-CA 3.42Å; C111-K115 PolarHBondContact O-N 3.05Å; V112-K115 PolarHBondContact O-N 3.24Å; K115-P117 WeakPolarHBondContact O-CD 3.23Å |
| 116 | Q | 96.1 | Very high | 96.9 | Very high | 98 Ų | 98 | 51 Ų | 51 | 46% | 0.458 | 28% | 0.279 | S | S | . | . | trans | -119.8 | 95.6 | -175.5 | -173.7 | 66.3 | -22.8 | 0 | 0 | 111.9 | Y45 C111 V114 A118 L119 | Y45-Q116 PolarHBondContact OH-N 3.15Å; Y45-Q116 PolarHBondContact OH-O 3.41Å; C111-Q116 PolarHBondContact O-N 3.07Å; V114-Q116 HydrophobicContact CB-CB 4.5Å; V114-Q116 HydrophobicContact CG1-CB 4.19Å; V114-Q116 PolarHBondContact O-N 3.19Å; Q116-A118 HydrophobicContact CG-CB 4.22Å; Q116-A118 PolarHBondContact O-N 3.19Å; Q116-L119 HydrophobicContact CB-CD1 4.04Å; Q116-L119 HydrophobicContact CB-CG 4.2Å; Q116-L119 HydrophobicContact CG-CD1 4.42Å; Q116-L119 HydrophobicContact CG-CG 4.11Å; Q116-L119 WeakPolarHBondContact O-CB 3.37Å; Q116-L119 PolarHBondContact O-N 3.17Å; Q116-L119 VanDerWaalsContact O-N 3.11Å | ||
| 117 | P | 95.3 | Very high | 96.9 | Very high | 13 Ų | 13 | 46.5 Ų | 46.5 | 8% | 0.084 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.1 | -26.9 | -176.7 | -26.8 | 36.4 | 0 | 0 | 0 | 113.9 | Y45 F46 T49 V50 K115 L119 L120 Y121 | Y45-P117 HydrophobicContact CE1-CB 4.08Å; Y45-P117 HydrophobicContact CE1-CG 3.98Å; Y45-P117 VanDerWaalsContact OH-CA 3.29Å; Y45-P117 WeakPolarHBondContact OH-CA 3.18Å; Y45-P117 VanDerWaalsContact OH-N 3.07Å; F46-P117 HydrophobicContact CE1-CB 4.03Å; T49-P117 HydrophobicContact CG2-CG 4.39Å; T49-P117 VanDerWaalsContact OG1-CG 3.28Å; T49-P117 WeakPolarHBondContact OG1-CG 3.43Å; V50-P117 HydrophobicContact CG2-CB 3.85Å; V50-P117 HydrophobicContact CG2-CG 3.49Å; V50-P117 VanDerWaalsContact CG2-CG 3.49Å; K115-P117 WeakPolarHBondContact O-CD 3.23Å; P117-L119 PolarHBondContact O-N 3.42Å; P117-L119 VanDerWaalsContact O-N 3.15Å; P117-L120 WeakPolarHBondContact O-CB 3.35Å; P117-L120 PolarHBondContact O-N 3.32Å; P117-Y121 WeakPolarHBondContact O-CD2 3.49Å; P117-Y121 PolarHBondContact O-N 2.76Å |
| 118 | A | 96.6 | Very high | 96.9 | Very high | 48 Ų | 48 | 44.5 Ų | 44.5 | 40% | 0.397 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -55 | -32 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q116 Y121 V122 | Q116-A118 HydrophobicContact CG-CB 4.22Å; Q116-A118 PolarHBondContact O-N 3.19Å; A118-Y121 PolarHBondContact O-N 3.27Å; A118-V122 WeakPolarHBondContact O-CB 3.45Å; A118-V122 VanDerWaalsContact O-CG2 3.3Å; A118-V122 WeakPolarHBondContact O-CG2 3.5Å; A118-V122 PolarHBondContact O-N 3.13Å |
| 119 | L | 98.1 | Very high | 96.9 | Very high | 47 Ų | 47 | 45.9 Ų | 45.9 | 25% | 0.246 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64 | -40.1 | 176.5 | -66.3 | 176.1 | 0 | 0 | 0 | 111.9 | I107 P110 C111 V114 Q116 P117 G123 | I107-L119 HydrophobicContact CG2-CB 4.47Å; I107-L119 HydrophobicContact CG2-CD2 4.16Å; I107-L119 WeakPolarHBondContact CG2-O 3.49Å; P110-L119 HydrophobicContact CG-CD1 4.22Å; C111-L119 HydrophobicContact CB-CB 3.79Å; V114-L119 HydrophobicContact CB-CD1 4.48Å; Q116-L119 HydrophobicContact CB-CD1 4.04Å; Q116-L119 HydrophobicContact CB-CG 4.2Å; Q116-L119 HydrophobicContact CG-CD1 4.42Å; Q116-L119 HydrophobicContact CG-CG 4.11Å; Q116-L119 WeakPolarHBondContact O-CB 3.37Å; Q116-L119 PolarHBondContact O-N 3.17Å; Q116-L119 VanDerWaalsContact O-N 3.11Å; P117-L119 PolarHBondContact O-N 3.42Å; P117-L119 VanDerWaalsContact O-N 3.15Å; L119-G123 PolarHBondContact O-N 3.26Å |
| 120 | L | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.6 | -45.8 | 174.7 | 177.9 | 61.8 | 0 | 0 | 0 | 110.9 | I42 F46 V66 V108 C111 P117 R124 W184 | I42-L120 HydrophobicContact CG2-CD2 4.39Å; F46-L120 HydrophobicContact CE2-CD2 4.38Å; F46-L120 HydrophobicContact CZ-CD2 3.89Å; V66-L120 HydrophobicContact CG1-CD1 4.36Å; V66-L120 HydrophobicContact CG1-CD2 4.1Å; V66-L120 HydrophobicContact CG1-CG 3.99Å; V66-L120 HydrophobicContact CG2-CD2 3.86Å; V66-L120 HydrophobicContact CG2-CG 4.19Å; V108-L120 HydrophobicContact CG1-CD1 3.76Å; V108-L120 HydrophobicContact CG2-CD1 4.45Å; C111-L120 HydrophobicContact CB-CB 4.42Å; P117-L120 WeakPolarHBondContact O-CB 3.35Å; P117-L120 PolarHBondContact O-N 3.32Å; L120-R124 HydrophobicContact CD1-CG 3.89Å; L120-R124 HydrophobicContact CG-CG 4.43Å; L120-R124 WeakPolarHBondContact O-CB 3.29Å; L120-R124 WeakPolarHBondContact O-CG 3.37Å; L120-R124 PolarHBondContact O-N 2.68Å; L120-W184 HydrophobicContact CD1-CH2 3.97Å; L120-W184 HydrophobicContact CD1-CZ3 3.96Å; L120-W184 HydrophobicContact CD2-CH2 3.86Å; L120-W184 HydrophobicContact CD2-CZ3 4.49Å; L120-W184 HydrophobicContact CG-CH2 4.44Å |
| 121 | Y | 98 | Very high | 97.1 | Very high | 40 Ų | 40 | 42.6 Ų | 42.6 | 16% | 0.157 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.5 | -50.8 | 179.4 | -77.5 | -75.9 | 0 | 0 | 0 | 112.8 | F46 F62 H65 V66 I69 P117 A118 R124 F125 | F46-Y121 AromaticContact CE1-CE2 3.99Å; F46-Y121 HydrophobicContact CE1-CE2 3.99Å; F46-Y121 HydrophobicContact CZ-CE2 4.15Å; F62-Y121 PolarHBondContact O-OH 3.45Å; H65-Y121 HydrophobicContact CB-CE1 4.34Å; H65-Y121 AromaticContact ND1-CE1 3.73Å; V66-Y121 HydrophobicContact CB-CE1 4.21Å; V66-Y121 HydrophobicContact CG2-CD1 3.81Å; V66-Y121 HydrophobicContact CG2-CD2 4.4Å; V66-Y121 HydrophobicContact CG2-CE1 3.38Å; V66-Y121 HydrophobicContact CG2-CE2 3.99Å; V66-Y121 HydrophobicContact CG2-CG 4.33Å; V66-Y121 VanDerWaalsContact CG2-CZ 3.48Å; I69-Y121 HydrophobicContact CD1-CD1 3.34Å; I69-Y121 HydrophobicContact CD1-CE1 3.69Å; I69-Y121 HydrophobicContact CD1-CG 4.45Å; P117-Y121 WeakPolarHBondContact O-CD2 3.49Å; P117-Y121 PolarHBondContact O-N 2.76Å; A118-Y121 PolarHBondContact O-N 3.27Å; Y121-R124 PolarHBondContact O-N 3.28Å; Y121-F125 PolarHBondContact O-N 2.84Å |
| 122 | V | 98.4 | Very high | 97 | Very high | 78 Ų | 78 | 42.6 Ų | 42.6 | 47% | 0.473 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.2 | -46.1 | 179.7 | 174.7 | 0 | 0 | 0 | 0 | 110.4 | I107 A118 R124 F125 V126 | I107-V122 HydrophobicContact CD1-CG1 4.15Å; I107-V122 HydrophobicContact CG2-CB 4.22Å; I107-V122 HydrophobicContact CG2-CG1 4.18Å; A118-V122 WeakPolarHBondContact O-CB 3.45Å; A118-V122 VanDerWaalsContact O-CG2 3.3Å; A118-V122 WeakPolarHBondContact O-CG2 3.5Å; A118-V122 PolarHBondContact O-N 3.13Å; V122-R124 PolarHBondContact O-N 3.17Å; V122-F125 WeakPolarHBondContact O-CB 3.49Å; V122-F125 PolarHBondContact O-N 2.91Å; V122-V126 WeakPolarHBondContact O-CG2 3.28Å; V122-V126 PolarHBondContact O-N 2.99Å |
| 123 | G | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61 | -43.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L119 F125 V126 I127 | L119-G123 PolarHBondContact O-N 3.26Å; G123-F125 PolarHBondContact O-N 2.95Å; G123-V126 PolarHBondContact O-N 3.36Å; G123-I127 WeakPolarHBondContact O-CB 3.3Å; G123-I127 WeakPolarHBondContact O-CG1 3.44Å; G123-I127 PolarHBondContact O-N 2.94Å |
| 124 | R | 97.7 | Very high | 97.1 | Very high | 7 Ų | 7 | 35.2 Ų | 35.2 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.5 | -36 | 177 | -72.1 | -77.5 | -76 | 157.2 | -10.4 | 113.1 | N31 L35 V66 F70 L120 Y121 V122 G128 | N31-R124 PolarHBondContact O-NH1 3.32Å; L35-R124 VanDerWaalsContact CD1-NE 3.3Å; V66-R124 HydrophobicContact CG1-CB 4.36Å; V66-R124 HydrophobicContact CG1-CG 3.83Å; F70-R124 HydrophobicContact CB-CB 4.43Å; F70-R124 VanDerWaalsContact CG-NH1 3.31Å; L120-R124 HydrophobicContact CD1-CG 3.89Å; L120-R124 HydrophobicContact CG-CG 4.43Å; L120-R124 WeakPolarHBondContact O-CB 3.29Å; L120-R124 WeakPolarHBondContact O-CG 3.37Å; L120-R124 PolarHBondContact O-N 2.68Å; Y121-R124 PolarHBondContact O-N 3.28Å; V122-R124 PolarHBondContact O-N 3.17Å; R124-G128 PolarHBondContact O-N 3.01Å |
| 125 | F | 98.4 | Very high | 97 | Very high | 87 Ų | 87 | 31.2 Ų | 31.2 | 38% | 0.382 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.3 | -49.3 | 171 | -176.5 | -88.3 | 0 | 0 | 0 | 111.1 | I69 A73 I76 Y121 V122 G123 I127 G128 I129 | I69-F125 HydrophobicContact CG2-CB 3.84Å; I69-F125 HydrophobicContact CG2-CD2 4.12Å; A73-F125 HydrophobicContact CB-CB 4.44Å; A73-F125 HydrophobicContact CB-CD2 3.61Å; A73-F125 HydrophobicContact CB-CE2 3.87Å; A73-F125 HydrophobicContact CB-CG 3.95Å; A73-F125 HydrophobicContact CB-CZ 4.43Å; A73-F125 WeakPolarHBondContact CB-O 3.3Å; I76-F125 HydrophobicContact CD1-CE2 4.48Å; I76-F125 HydrophobicContact CD1-CZ 4.5Å; Y121-F125 PolarHBondContact O-N 2.84Å; V122-F125 WeakPolarHBondContact O-CB 3.49Å; V122-F125 PolarHBondContact O-N 2.91Å; G123-F125 PolarHBondContact O-N 2.95Å; F125-I127 PolarHBondContact O-N 3.47Å; F125-G128 WeakPolarHBondContact O-CA 3.42Å; F125-G128 PolarHBondContact O-N 2.77Å; F125-G128 VanDerWaalsContact O-N 3.11Å; F125-I129 HydrophobicContact CD1-CG1 4.36Å; F125-I129 HydrophobicContact CE1-CD1 4.35Å; F125-I129 HydrophobicContact CE1-CG1 4.01Å; F125-I129 HydrophobicContact CZ-CD1 4.39Å; F125-I129 HydrophobicContact CZ-CG1 4.5Å; F125-I129 PolarHBondContact O-N 3.4Å |
| 126 | V | 98.5 | Very high | 96.7 | Very high | 27 Ų | 27 | 23.8 Ų | 23.8 | 16% | 0.164 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.4 | -44.7 | 179.6 | 174.6 | 0 | 0 | 0 | 0 | 111.8 | I100 I103 I107 V122 G123 G128 I129 N130 | I100-V126 HydrophobicContact CG2-CG1 3.69Å; I100-V126 WeakPolarHBondContact CG2-O 3.07Å; I100-V126 WeakPolarHBondContact O-CG1 3.45Å; I103-V126 HydrophobicContact CB-CG1 4.39Å; I103-V126 HydrophobicContact CG2-CG1 4.21Å; I107-V126 HydrophobicContact CD1-CG2 4.42Å; V122-V126 WeakPolarHBondContact O-CG2 3.28Å; V122-V126 PolarHBondContact O-N 2.99Å; G123-V126 PolarHBondContact O-N 3.36Å; V126-G128 VanDerWaalsContact C-N 3.27Å; V126-G128 PolarHBondContact O-N 3.05Å; V126-I129 PolarHBondContact O-N 3.46Å; V126-N130 PolarHBondContact O-N 3.36Å |
| 127 | I | 98.3 | Very high | 96.7 | Very high | 3 Ų | 3 | 19.1 Ų | 19.1 | 2% | 0.015 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.4 | -36.2 | 174.5 | -64.2 | 171.1 | 0 | 0 | 0 | 110.9 | N31 F70 V108 G123 F125 N130 S131 V188 | N31-I127 HydrophobicContact CB-CG2 3.66Å; N31-I127 WeakPolarHBondContact ND2-CG2 3.44Å; N31-I127 VanDerWaalsContact OD1-CG2 3.25Å; N31-I127 WeakPolarHBondContact OD1-CG2 3.45Å; F70-I127 HydrophobicContact CD2-CG2 4.25Å; F70-I127 HydrophobicContact CE2-CG2 3.83Å; V108-I127 HydrophobicContact CG2-CD1 4.26Å; G123-I127 WeakPolarHBondContact O-CB 3.3Å; G123-I127 WeakPolarHBondContact O-CG1 3.44Å; G123-I127 PolarHBondContact O-N 2.94Å; F125-I127 PolarHBondContact O-N 3.47Å; I127-N130 WeakPolarHBondContact O-CB 3.22Å; I127-N130 PolarHBondContact O-N 3.31Å; I127-S131 WeakPolarHBondContact O-CB 3.35Å; I127-S131 PolarHBondContact O-N 3.2Å; I127-S131 PolarHBondContact O-OG 3.49Å; I127-V188 HydrophobicContact CD1-CG1 3.95Å |
| 128 | G | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.1 | -51.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F70 A74 R124 F125 V126 N130 S131 G132 | F70-G128 WeakPolarHBondContact O-CA 3.4Å; A74-G128 WeakPolarHBondContact CA-O 3.45Å; A74-G128 WeakPolarHBondContact CB-O 3.45Å; R124-G128 PolarHBondContact O-N 3.01Å; F125-G128 WeakPolarHBondContact O-CA 3.42Å; F125-G128 PolarHBondContact O-N 2.77Å; F125-G128 VanDerWaalsContact O-N 3.11Å; V126-G128 VanDerWaalsContact C-N 3.27Å; V126-G128 PolarHBondContact O-N 3.05Å; G128-N130 VanDerWaalsContact C-N 3.27Å; G128-N130 PolarHBondContact O-N 3.41Å; G128-S131 PolarHBondContact O-N 3Å; G128-G132 PolarHBondContact O-N 3.01Å |
| 129 | I | 97.9 | Very high | 96.4 | Very high | 30 Ų | 30 | 16.2 Ų | 16.2 | 15% | 0.154 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -54.4 | -46.3 | 174.4 | -62.9 | -70.9 | 0 | 0 | 0 | 110.7 | A73 I76 I100 F125 V126 S131 G132 I133 | A73-I129 HydrophobicContact CB-CD1 4.34Å; A73-I129 HydrophobicContact CB-CG1 4.2Å; A73-I129 VanDerWaalsContact O-CD1 3.31Å; A73-I129 WeakPolarHBondContact O-CD1 3.37Å; I76-I129 HydrophobicContact CB-CD1 3.89Å; I76-I129 HydrophobicContact CG2-CD1 3.73Å; I100-I129 HydrophobicContact CG2-CG2 4.39Å; F125-I129 HydrophobicContact CD1-CG1 4.36Å; F125-I129 HydrophobicContact CE1-CD1 4.35Å; F125-I129 HydrophobicContact CE1-CG1 4.01Å; F125-I129 HydrophobicContact CZ-CD1 4.39Å; F125-I129 HydrophobicContact CZ-CG1 4.5Å; F125-I129 PolarHBondContact O-N 3.4Å; V126-I129 PolarHBondContact O-N 3.46Å; I129-S131 PolarHBondContact O-N 3Å; I129-G132 PolarHBondContact O-N 3.46Å; I129-I133 HydrophobicContact CG2-CD1 3.8Å; I129-I133 HydrophobicContact CG2-CG1 4.49Å; I129-I133 WeakPolarHBondContact O-CG1 3.46Å; I129-I133 PolarHBondContact O-N 3.44Å |
| 130 | N | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -56.9 | -46.7 | 175.6 | 163.9 | -90.9 | 0 | 0 | 0 | 112.3 | L27 N97 I100 V126 I127 G128 G132 I133 T134 | L27-N130 WeakPolarHBondContact CD2-OD1 3.25Å; N97-N130 PolarHBondContact ND2-ND2 3.22Å; N97-N130 PolarHBondContact ND2-O 3.15Å; N97-N130 PolarHBondContact O-ND2 3.45Å; N97-N130 WeakPolarHBondContact OD1-CA 3.43Å; I100-N130 HydrophobicContact CB-CB 4.35Å; I100-N130 HydrophobicContact CG2-CB 4.02Å; V126-N130 PolarHBondContact O-N 3.36Å; I127-N130 WeakPolarHBondContact O-CB 3.22Å; I127-N130 PolarHBondContact O-N 3.31Å; G128-N130 VanDerWaalsContact C-N 3.27Å; G128-N130 PolarHBondContact O-N 3.41Å; N130-G132 PolarHBondContact O-N 2.83Å; N130-I133 PolarHBondContact O-N 2.97Å; N130-T134 WeakPolarHBondContact O-CB 3.48Å; N130-T134 PolarHBondContact O-N 2.9Å; N130-T134 PolarHBondContact O-OG1 3.28Å |
| 131 | S | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65 | -41.9 | -179 | -60.7 | 0 | 0 | 0 | 0 | 111.4 | F70 I127 G128 I129 T134 I135 | F70-S131 WeakPolarHBondContact CE2-OG 3.44Å; I127-S131 WeakPolarHBondContact O-CB 3.35Å; I127-S131 PolarHBondContact O-N 3.2Å; I127-S131 PolarHBondContact O-OG 3.49Å; G128-S131 PolarHBondContact O-N 3Å; I129-S131 PolarHBondContact O-N 3Å; S131-T134 PolarHBondContact O-N 3.26Å; S131-I135 PolarHBondContact O-N 3.39Å |
| 132 | G | 95.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.3 | -47.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A74 G77 A78 G128 I129 N130 T134 I135 | A74-G132 WeakPolarHBondContact O-CA 3.38Å; G77-G132 VanDerWaalsContact C-C 3.43Å; A78-G132 VanDerWaalsContact CA-O 3.27Å; A78-G132 WeakPolarHBondContact CA-O 3.44Å; A78-G132 PolarHBondContact N-O 3.4Å; G128-G132 PolarHBondContact O-N 3.01Å; I129-G132 PolarHBondContact O-N 3.46Å; N130-G132 PolarHBondContact O-N 2.83Å; G132-T134 VanDerWaalsContact C-N 3.35Å; G132-I135 WeakPolarHBondContact O-CG2 3.21Å |
| 133 | I | 96.2 | Very high | 95.6 | Very high | 9 Ų | 9 | 8.5 Ų | 8.5 | 5% | 0.046 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -66.3 | -41.6 | 177.6 | -67.3 | 170.3 | 0 | 0 | 0 | 110.4 | G77 N97 I100 I129 N130 I135 G136 I137 | G77-I133 WeakPolarHBondContact O-CG1 3.15Å; N97-I133 HydrophobicContact CB-CG2 3.95Å; N97-I133 WeakPolarHBondContact OD1-CB 3.23Å; I100-I133 HydrophobicContact CD1-CD1 4.26Å; I129-I133 HydrophobicContact CG2-CD1 3.8Å; I129-I133 HydrophobicContact CG2-CG1 4.49Å; I129-I133 WeakPolarHBondContact O-CG1 3.46Å; I129-I133 PolarHBondContact O-N 3.44Å; N130-I133 PolarHBondContact O-N 2.97Å; I133-I135 PolarHBondContact O-N 3Å; I133-G136 PolarHBondContact O-N 2.97Å; I133-I137 HydrophobicContact CG2-CD1 3.51Å; I133-I137 HydrophobicContact CG2-CG1 4.15Å; I133-I137 WeakPolarHBondContact O-CG1 3.38Å; I133-I137 PolarHBondContact O-N 2.74Å; I133-I137 VanDerWaalsContact O-N 3.11Å |
| 134 | T | 96.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -61.3 | -43.1 | -178.2 | -61.9 | 0 | 0 | 0 | 0 | 112.2 | S24 I28 N97 N130 S131 G132 G136 I137 A138 | S24-T134 VanDerWaalsContact C-CG2 3.5Å; S24-T134 VanDerWaalsContact CB-CG2 3.49Å; S24-T134 WeakPolarHBondContact O-CG2 3.4Å; I28-T134 HydrophobicContact CD1-CG2 3.64Å; I28-T134 HydrophobicContact CG1-CG2 4Å; N97-T134 PolarHBondContact ND2-N 3.09Å; N97-T134 PolarHBondContact ND2-OG1 3.02Å; N130-T134 WeakPolarHBondContact O-CB 3.48Å; N130-T134 PolarHBondContact O-N 2.9Å; N130-T134 PolarHBondContact O-OG1 3.28Å; S131-T134 PolarHBondContact O-N 3.26Å; G132-T134 VanDerWaalsContact C-N 3.35Å; T134-G136 PolarHBondContact O-N 3.05Å; T134-G136 VanDerWaalsContact O-N 3.16Å; T134-I137 PolarHBondContact O-N 2.52Å; T134-A138 HydrophobicContact CG2-CB 3.95Å; T134-A138 WeakPolarHBondContact O-CB 3.28Å; T134-A138 PolarHBondContact O-N 3.19Å |
| 135 | I | 92.2 | Very high | 95.1 | Very high | 13 Ų | 13 | 9.1 Ų | 9.1 | 7% | 0.067 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60 | -31.3 | -175.7 | -164.8 | 161.3 | 0 | 0 | 0 | 112.3 | I28 A78 S131 G132 I133 Y409 Q413 W417 | I28-I135 HydrophobicContact CD1-CB 3.94Å; I28-I135 HydrophobicContact CD1-CG1 4.49Å; A78-I135 HydrophobicContact CB-CG2 4.37Å; S131-I135 PolarHBondContact O-N 3.39Å; G132-I135 WeakPolarHBondContact O-CG2 3.21Å; I133-I135 PolarHBondContact O-N 3Å; I135-Y409 WeakPolarHBondContact O-CE1 3.4Å; I135-Q413 HydrophobicContact CG2-CB 4.21Å; I135-Q413 HydrophobicContact CG2-CG 4.23Å; I135-W417 HydrophobicContact CD1-CZ2 4.31Å |
| 136 | G | 89.5 | Confident | 94.8 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -72.1 | -64.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I133 T134 L140 | I133-G136 PolarHBondContact O-N 2.97Å; T134-G136 PolarHBondContact O-N 3.05Å; T134-G136 VanDerWaalsContact O-N 3.16Å; G136-L140 WeakPolarHBondContact O-CG 3.25Å; G136-L140 PolarHBondContact O-N 2.87Å |
| 137 | I | 94.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -71.6 | -39.7 | -165.7 | -57.3 | -175.1 | 0 | 0 | 0 | 111.7 | C81 V84 A85 R90 L94 I133 T134 S139 L140 Y141 | C81-I137 HydrophobicContact CB-CG1 4.34Å; V84-I137 HydrophobicContact CB-CD1 3.9Å; V84-I137 HydrophobicContact CG1-CD1 3.49Å; V84-I137 VanDerWaalsContact CG1-CD1 3.49Å; A85-I137 HydrophobicContact CB-CG1 4.25Å; R90-I137 HydrophobicContact CB-CG2 4.15Å; R90-I137 HydrophobicContact CG-CG2 4.45Å; R90-I137 VanDerWaalsContact O-CG2 3.27Å; R90-I137 WeakPolarHBondContact O-CG2 3.37Å; L94-I137 HydrophobicContact CD1-CG2 4.41Å; L94-I137 HydrophobicContact CD2-CB 4Å; L94-I137 HydrophobicContact CD2-CG2 3.95Å; L94-I137 HydrophobicContact CG-CB 4.34Å; L94-I137 HydrophobicContact CG-CG2 3.72Å; I133-I137 HydrophobicContact CG2-CD1 3.51Å; I133-I137 HydrophobicContact CG2-CG1 4.15Å; I133-I137 WeakPolarHBondContact O-CG1 3.38Å; I133-I137 PolarHBondContact O-N 2.74Å; I133-I137 VanDerWaalsContact O-N 3.11Å; T134-I137 PolarHBondContact O-N 2.52Å; I137-S139 PolarHBondContact O-N 3.43Å; I137-L140 PolarHBondContact O-N 3.35Å; I137-Y141 VanDerWaalsContact O-CB 3.31Å; I137-Y141 WeakPolarHBondContact O-CB 3.4Å; I137-Y141 PolarHBondContact O-N 3.01Å |
| 138 | A | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -64 | -43.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T20 S25 L94 T134 Y141 L142 | T20-A138 HydrophobicContact CG2-CB 3.91Å; S25-A138 WeakPolarHBondContact OG-CB 3.43Å; L94-A138 HydrophobicContact CD2-CB 4.26Å; T134-A138 HydrophobicContact CG2-CB 3.95Å; T134-A138 WeakPolarHBondContact O-CB 3.28Å; T134-A138 PolarHBondContact O-N 3.19Å; A138-Y141 PolarHBondContact O-N 3.05Å; A138-L142 WeakPolarHBondContact O-CB 3.35Å; A138-L142 VanDerWaalsContact O-CG 3.26Å; A138-L142 WeakPolarHBondContact O-CG 3.36Å; A138-L142 PolarHBondContact O-N 3.15Å |
| 139 | S | 92 | Very high | 93 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -64 | -44.7 | 176.1 | 178.5 | 0 | 0 | 0 | 0 | 112.1 | I137 Y141 L142 T143 Y409 | I137-S139 PolarHBondContact O-N 3.43Å; S139-Y141 VanDerWaalsContact C-N 3.31Å; S139-Y141 PolarHBondContact O-N 3.41Å; S139-L142 PolarHBondContact O-N 3.27Å; S139-T143 WeakPolarHBondContact O-CG2 3.48Å; S139-T143 PolarHBondContact O-N 3.49Å; S139-T143 PolarHBondContact O-OG1 3.3Å; S139-Y409 WeakPolarHBondContact CB-OH 3.46Å; S139-Y409 PolarHBondContact OG-OH 2.92Å |
| 140 | L | 91.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61 | -41.7 | 174.4 | -72 | 174 | 0 | 0 | 0 | 111.5 | A85 R90 G136 I137 T143 E144 R405 Y409 | A85-L140 HydrophobicContact CB-CD1 4.33Å; R90-L140 HydrophobicContact CG-CB 4.41Å; G136-L140 WeakPolarHBondContact O-CG 3.25Å; G136-L140 PolarHBondContact O-N 2.87Å; I137-L140 PolarHBondContact O-N 3.35Å; L140-T143 PolarHBondContact O-OG1 3.06Å; L140-E144 VanDerWaalsContact O-CB 3.28Å; L140-E144 WeakPolarHBondContact O-CB 3.4Å; L140-E144 VanDerWaalsContact O-CG 3.23Å; L140-E144 WeakPolarHBondContact O-CG 3.35Å; L140-E144 PolarHBondContact O-N 3.03Å; L140-R405 HydrophobicContact CD2-CG 4.03Å; L140-Y409 HydrophobicContact CD2-CD2 4.13Å; L140-Y409 HydrophobicContact CD2-CG 4.46Å; L140-Y409 HydrophobicContact CG-CD2 4.45Å; L140-Y409 HydrophobicContact CG-CG 4.47Å |
| 141 | Y | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64 | -51.6 | -179.3 | -166.7 | -153.1 | 0 | 0 | 0 | 111.1 | T16 T20 R90 R91 L94 I137 A138 S139 T143 E144 V145 L202 P206 | T16-Y141 HydrophobicContact CG2-CD1 4.46Å; T16-Y141 HydrophobicContact CG2-CE1 3.62Å; T16-Y141 HydrophobicContact CG2-CE2 4.16Å; T16-Y141 VanDerWaalsContact CG2-CZ 3.43Å; T16-Y141 VanDerWaalsContact CG2-OH 3.29Å; T16-Y141 WeakPolarHBondContact CG2-OH 3.19Å; T20-Y141 HydrophobicContact CG2-CD1 3.93Å; T20-Y141 VanDerWaalsContact OG1-CD1 3.22Å; T20-Y141 WeakPolarHBondContact OG1-CD1 3.12Å; T20-Y141 WeakPolarHBondContact OG1-CE1 3.43Å; R90-Y141 HydrophobicContact CB-CD2 3.51Å; R90-Y141 HydrophobicContact CB-CE2 4.31Å; R90-Y141 HydrophobicContact CB-CG 3.74Å; R90-Y141 HydrophobicContact CG-CD2 4.35Å; R91-Y141 HydrophobicContact CB-CE1 4.43Å; R91-Y141 HydrophobicContact CB-CE2 4.35Å; L94-Y141 HydrophobicContact CD1-CD1 3.59Å; L94-Y141 HydrophobicContact CD1-CE1 4.27Å; L94-Y141 HydrophobicContact CD1-CG 4.36Å; I137-Y141 VanDerWaalsContact O-CB 3.31Å; I137-Y141 WeakPolarHBondContact O-CB 3.4Å; I137-Y141 PolarHBondContact O-N 3.01Å; A138-Y141 PolarHBondContact O-N 3.05Å; S139-Y141 VanDerWaalsContact C-N 3.31Å; S139-Y141 PolarHBondContact O-N 3.41Å; Y141-T143 VanDerWaalsContact C-N 3.31Å; Y141-T143 PolarHBondContact O-N 3.36Å; Y141-E144 PolarHBondContact O-N 3.5Å; Y141-V145 HydrophobicContact CD2-CG1 3.58Å; Y141-V145 HydrophobicContact CE2-CG1 3.39Å; Y141-V145 WeakPolarHBondContact O-CG1 3.15Å; Y141-V145 VanDerWaalsContact O-CG2 3.32Å; Y141-V145 WeakPolarHBondContact O-CG2 3.49Å; Y141-V145 PolarHBondContact O-N 3.35Å; Y141-L202 HydrophobicContact CE1-CD2 4.1Å; Y141-P206 PolarHBondContact OH-O 3.08Å |
| 142 | L | 95.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -57.7 | -43.3 | -180 | -73.1 | 168.7 | 0 | 0 | 0 | 111.7 | V17 T20 A138 S139 A146 I154 H158 | V17-L142 HydrophobicContact CB-CD2 4.11Å; V17-L142 HydrophobicContact CG1-CD2 3.92Å; V17-L142 HydrophobicContact CG2-CD2 4.02Å; T20-L142 HydrophobicContact CG2-CD1 4.24Å; T20-L142 HydrophobicContact CG2-CD2 4.16Å; T20-L142 HydrophobicContact CG2-CG 3.9Å; A138-L142 WeakPolarHBondContact O-CB 3.35Å; A138-L142 VanDerWaalsContact O-CG 3.26Å; A138-L142 WeakPolarHBondContact O-CG 3.36Å; A138-L142 PolarHBondContact O-N 3.15Å; S139-L142 PolarHBondContact O-N 3.27Å; L142-A146 VanDerWaalsContact O-CB 3.28Å; L142-A146 WeakPolarHBondContact O-CB 3.33Å; L142-A146 PolarHBondContact O-N 2.96Å; L142-I154 HydrophobicContact CB-CG2 4.1Å; L142-I154 HydrophobicContact CD2-CG2 4.04Å; L142-I154 WeakPolarHBondContact O-CG2 3.28Å; L142-H158 HydrophobicContact CD1-CB 3.77Å |
| 143 | T | 91.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.012 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -75.7 | -25.8 | -179.3 | 57.5 | 0 | 0 | 0 | 0 | 113.9 | S139 L140 Y141 L394 R405 | S139-T143 WeakPolarHBondContact O-CG2 3.48Å; S139-T143 PolarHBondContact O-N 3.49Å; S139-T143 PolarHBondContact O-OG1 3.3Å; L140-T143 PolarHBondContact O-OG1 3.06Å; Y141-T143 VanDerWaalsContact C-N 3.31Å; Y141-T143 PolarHBondContact O-N 3.36Å; T143-L394 HydrophobicContact CG2-CD2 4.3Å; T143-R405 PolarHBondContact OG1-NH2 3.33Å |
| 144 | E | 91.8 | Very high | 91.3 | Very high | 17 Ų | 17 | 15.5 Ų | 15.5 | 8% | 0.079 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -87.2 | -22 | 177.9 | -71.9 | -179.7 | -178.1 | 0 | 0 | 114 | R90 L140 Y141 S208 Q402 R405 | R90-E144 IonicContact CZ-OE1 3.82Å; R90-E144 IonicContact CZ-OE2 3.34Å; R90-E144 IonicContact NE-OE1 2.76Å; R90-E144 PolarHBondContact NE-OE1 2.91Å; R90-E144 IonicContact NE-OE2 3.32Å; R90-E144 PolarHBondContact NE-OE2 2.98Å; R90-E144 IonicContact NH2-OE1 3.41Å; R90-E144 PolarHBondContact NH2-OE1 2.99Å; R90-E144 IonicContact NH2-OE2 2.72Å; R90-E144 PolarHBondContact NH2-OE2 3.01Å; L140-E144 VanDerWaalsContact O-CB 3.28Å; L140-E144 WeakPolarHBondContact O-CB 3.4Å; L140-E144 VanDerWaalsContact O-CG 3.23Å; L140-E144 WeakPolarHBondContact O-CG 3.35Å; L140-E144 PolarHBondContact O-N 3.03Å; Y141-E144 PolarHBondContact O-N 3.5Å; E144-S208 WeakPolarHBondContact CB-OG 3.5Å; E144-S208 WeakPolarHBondContact OE2-CB 3.35Å; E144-S208 PolarHBondContact OE2-OG 3.2Å; E144-Q402 PolarHBondContact OE1-NE2 2.89Å; E144-Q402 PolarHBondContact OE1-OE1 3.22Å; E144-R405 IonicContact OE1-NH1 3.05Å; E144-R405 PolarHBondContact OE1-NH1 3.08Å |
| 145 | V | 94.1 | Very high | 91 | Very high | 4 Ų | 4 | 15.6 Ų | 15.6 | 2% | 0.024 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -89.3 | -16.4 | 172.9 | -58.7 | 0 | 0 | 0 | 0 | 113 | L13 T16 Y141 L229 | L13-V145 HydrophobicContact CD1-CG2 4.21Å; L13-V145 WeakPolarHBondContact CD1-O 3.31Å; T16-V145 HydrophobicContact CG2-CG1 4.24Å; T16-V145 HydrophobicContact CG2-CG2 4.2Å; Y141-V145 HydrophobicContact CD2-CG1 3.58Å; Y141-V145 HydrophobicContact CE2-CG1 3.39Å; Y141-V145 WeakPolarHBondContact O-CG1 3.15Å; Y141-V145 VanDerWaalsContact O-CG2 3.32Å; Y141-V145 WeakPolarHBondContact O-CG2 3.49Å; Y141-V145 PolarHBondContact O-N 3.35Å; V145-L229 HydrophobicContact CB-CD1 3.75Å; V145-L229 HydrophobicContact CB-CD2 4.11Å; V145-L229 HydrophobicContact CG1-CD1 3.88Å |
| 146 | A | 92 | Very high | 91 | Very high | 11 Ų | 11 | 15 Ų | 15 | 9% | 0.091 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -74 | 136.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L142 R151 I154 | L142-A146 VanDerWaalsContact O-CB 3.28Å; L142-A146 WeakPolarHBondContact O-CB 3.33Å; L142-A146 PolarHBondContact O-N 2.96Å; A146-R151 HydrophobicContact CB-CB 4.22Å; A146-R151 HydrophobicContact CB-CG 4.38Å; A146-I154 HydrophobicContact CB-CB 3.81Å; A146-I154 HydrophobicContact CB-CD1 3.67Å; A146-I154 HydrophobicContact CB-CG1 4.3Å; A146-I154 HydrophobicContact CB-CG2 3.89Å |
| 147 | P | 89.2 | Confident | 91.3 | Very high | 6 Ų | 6 | 16.4 Ų | 16.4 | 4% | 0.039 | 9% | 0.087 | C | C | . | . | trans | -53.8 | 153.9 | 161.2 | -24.8 | 35.5 | 0 | 0 | 0 | 111.8 | L13 D149 L150 R151 E233 | L13-P147 HydrophobicContact CD2-CG 3.96Å; P147-D149 VanDerWaalsContact C-N 3.33Å; P147-D149 WeakPolarHBondContact CB-OD1 3.45Å; P147-D149 PolarHBondContact O-N 3.32Å; P147-L150 PolarHBondContact O-N 3.06Å; P147-R151 PolarHBondContact O-N 3.33Å; P147-E233 WeakPolarHBondContact CA-OE1 3.46Å | ||
| 148 | R | 84.2 | Confident | 91.3 | Very high | 80 Ų | 80 | 16.6 Ų | 16.6 | 30% | 0.302 | 9% | 0.087 | S | C | . | . | G | 310 helix | trans | -59.9 | -40.9 | -173.7 | -67.4 | -175.9 | -168.4 | -179.2 | 8.2 | 113.4 | L150 E233 E241 | R148-L150 VanDerWaalsContact C-N 3.3Å; R148-L150 PolarHBondContact O-N 2.89Å; R148-E233 PolarHBondContact N-OE1 3.24Å; R148-E233 IonicContact NE-OE2 2.7Å; R148-E233 PolarHBondContact NE-OE2 3.34Å; R148-E241 IonicContact CZ-OE1 3.47Å; R148-E241 IonicContact CZ-OE2 3.59Å; R148-E241 IonicContact NH1-OE1 3.43Å; R148-E241 PolarHBondContact NH1-OE1 3.11Å; R148-E241 IonicContact NH1-OE2 2.77Å; R148-E241 PolarHBondContact NH1-OE2 3.03Å; R148-E241 IonicContact NH2-OE1 2.67Å; R148-E241 PolarHBondContact NH2-OE1 3.41Å; R148-E241 IonicContact NH2-OE2 3.47Å; R148-E241 PolarHBondContact NH2-OE2 3.18Å |
| 149 | D | 84 | Confident | 91.3 | Very high | 70 Ų | 70 | 18.1 Ų | 18.1 | 37% | 0.374 | 10% | 0.095 | S | C | . | . | G | 310 helix | trans | -74.1 | -18.2 | -177.9 | 61.9 | -43.6 | 0 | 0 | 0 | 113.7 | P147 K232 | P147-D149 VanDerWaalsContact C-N 3.33Å; P147-D149 WeakPolarHBondContact CB-OD1 3.45Å; P147-D149 PolarHBondContact O-N 3.32Å; D149-K232 IonicContact OD2-NZ 3.52Å |
| 150 | L | 88.1 | Confident | 91.5 | Very high | 54 Ų | 54 | 19.7 Ų | 19.7 | 28% | 0.283 | 10% | 0.103 | S | C | . | . | G | 310 helix | trans | -114.1 | 4.1 | -179.1 | -59.5 | 179.2 | 0 | 0 | 0 | 113.3 | I9 P147 R148 G152 G153 I154 | I9-L150 HydrophobicContact CD1-CD1 4.39Å; I9-L150 HydrophobicContact CG1-CD1 4.12Å; P147-L150 PolarHBondContact O-N 3.06Å; R148-L150 VanDerWaalsContact C-N 3.3Å; R148-L150 PolarHBondContact O-N 2.89Å; L150-G152 VanDerWaalsContact C-N 3.26Å; L150-G152 PolarHBondContact O-N 3.49Å; L150-G153 PolarHBondContact O-N 3.24Å; L150-I154 HydrophobicContact CB-CD1 3.9Å; L150-I154 HydrophobicContact CB-CG1 4.35Å; L150-I154 WeakPolarHBondContact O-CB 3.38Å; L150-I154 WeakPolarHBondContact O-CG1 3.41Å; L150-I154 PolarHBondContact O-N 2.99Å |
| 151 | R | 89.5 | Confident | 91.8 | Very high | 35 Ų | 35 | 20.2 Ų | 20.2 | 13% | 0.132 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.8 | -37.5 | -173.6 | -173.4 | -175.8 | -66.7 | 157.1 | 0.8 | 112.6 | A146 P147 G155 | A146-R151 HydrophobicContact CB-CB 4.22Å; A146-R151 HydrophobicContact CB-CG 4.38Å; P147-R151 PolarHBondContact O-N 3.33Å; R151-G155 PolarHBondContact O-N 3.21Å |
| 152 | G | 87.8 | Confident | 91.9 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.5 | -52.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L150 G155 A156 E329 | L150-G152 VanDerWaalsContact C-N 3.26Å; L150-G152 PolarHBondContact O-N 3.49Å; G152-G155 PolarHBondContact O-N 3.33Å; G152-A156 VanDerWaalsContact O-CB 3.27Å; G152-A156 WeakPolarHBondContact O-CB 3.2Å; G152-A156 PolarHBondContact O-N 3.34Å; G152-E329 VanDerWaalsContact CA-OE1 3.24Å; G152-E329 WeakPolarHBondContact CA-OE1 3.48Å; G152-E329 PolarHBondContact N-OE1 3.49Å |
| 153 | G | 89.4 | Confident | 92 | Very high | 15 Ų | 15 | 20.7 Ų | 20.7 | 16% | 0.155 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.9 | -48.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L150 G155 A156 C157 L325 E329 | L150-G153 PolarHBondContact O-N 3.24Å; G153-G155 PolarHBondContact O-N 3.02Å; G153-A156 PolarHBondContact O-N 3.3Å; G153-C157 PolarHBondContact O-N 3.31Å; G153-C157 PolarHBondContact O-SG 3.21Å; G153-L325 WeakPolarHBondContact O-CD2 3.26Å; G153-E329 PolarHBondContact N-OE1 3.38Å |
| 154 | I | 92.7 | Very high | 92.3 | Very high | 18 Ų | 18 | 23.2 Ų | 23.2 | 9% | 0.092 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.8 | -41.5 | 179 | -67.5 | 172.2 | 0 | 0 | 0 | 111.4 | L13 V17 L142 A146 L150 C157 | L13-I154 HydrophobicContact CD1-CD1 4.26Å; L13-I154 HydrophobicContact CD2-CD1 4.19Å; L13-I154 HydrophobicContact CG-CD1 4.49Å; V17-I154 HydrophobicContact CG1-CG2 4.34Å; V17-I154 HydrophobicContact CG2-CD1 4.48Å; V17-I154 HydrophobicContact CG2-CG1 4.45Å; V17-I154 HydrophobicContact CG2-CG2 3.56Å; L142-I154 HydrophobicContact CB-CG2 4.1Å; L142-I154 HydrophobicContact CD2-CG2 4.04Å; L142-I154 WeakPolarHBondContact O-CG2 3.28Å; A146-I154 HydrophobicContact CB-CB 3.81Å; A146-I154 HydrophobicContact CB-CD1 3.67Å; A146-I154 HydrophobicContact CB-CG1 4.3Å; A146-I154 HydrophobicContact CB-CG2 3.89Å; L150-I154 HydrophobicContact CB-CD1 3.9Å; L150-I154 HydrophobicContact CB-CG1 4.35Å; L150-I154 WeakPolarHBondContact O-CB 3.38Å; L150-I154 WeakPolarHBondContact O-CG1 3.41Å; L150-I154 PolarHBondContact O-N 2.99Å; I154-C157 VanDerWaalsContact O-CB 3.31Å; I154-C157 WeakPolarHBondContact O-CB 3.21Å; I154-C157 PolarHBondContact O-N 3.42Å |
| 155 | G | 91.5 | Very high | 92.6 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.4 | -38.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R151 G152 G153 C157 H158 | R151-G155 PolarHBondContact O-N 3.21Å; G152-G155 PolarHBondContact O-N 3.33Å; G153-G155 PolarHBondContact O-N 3.02Å; G155-C157 VanDerWaalsContact C-N 3.27Å; G155-C157 PolarHBondContact O-N 2.92Å; G155-H158 WeakPolarHBondContact O-CB 3.28Å; G155-H158 PolarHBondContact O-N 3.25Å |
| 156 | A | 92.6 | Very high | 92.7 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 2% | 0.017 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -69.3 | -20.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | G152 G153 H158 Q159 L160 L325 I328 P390 L394 | G152-A156 VanDerWaalsContact O-CB 3.27Å; G152-A156 WeakPolarHBondContact O-CB 3.2Å; G152-A156 PolarHBondContact O-N 3.34Å; G153-A156 PolarHBondContact O-N 3.3Å; A156-H158 PolarHBondContact O-N 3.5Å; A156-H158 VanDerWaalsContact O-N 3.13Å; A156-Q159 PolarHBondContact O-N 3.31Å; A156-L160 PolarHBondContact O-N 3.08Å; A156-L325 HydrophobicContact CB-CD2 3.59Å; A156-I328 HydrophobicContact CB-CD1 3.54Å; A156-P390 HydrophobicContact CB-CB 4.04Å; A156-L394 HydrophobicContact CB-CD1 4.06Å |
| 157 | C | 94.8 | Very high | 93 | Very high | 29 Ų | 29 | 23.5 Ų | 23.5 | 20% | 0.196 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.5 | -25.2 | 170.7 | -68.1 | 0 | 0 | 0 | 0 | 112.4 | V17 C21 G153 I154 G155 L160 A161 | V17-C157 HydrophobicContact CG1-CB 4.38Å; C21-C157 VanDerWaalsContact SG-CB 3.58Å; G153-C157 PolarHBondContact O-N 3.31Å; G153-C157 PolarHBondContact O-SG 3.21Å; I154-C157 VanDerWaalsContact O-CB 3.31Å; I154-C157 WeakPolarHBondContact O-CB 3.21Å; I154-C157 PolarHBondContact O-N 3.42Å; G155-C157 VanDerWaalsContact C-N 3.27Å; G155-C157 PolarHBondContact O-N 2.92Å; C157-L160 PolarHBondContact O-N 3.02Å; C157-A161 WeakPolarHBondContact O-CB 3.42Å; C157-A161 PolarHBondContact O-N 3.26Å |
| 158 | H | 95 | Very high | 93.4 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -53.5 | -55.4 | 169.3 | 176.9 | 55.9 | 0 | 0 | 0 | 111.3 | S25 L142 G155 A156 A161 V162 | S25-H158 WeakPolarHBondContact CB-ND1 3.19Å; S25-H158 PolarHBondContact OG-ND1 2.95Å; L142-H158 HydrophobicContact CD1-CB 3.77Å; G155-H158 WeakPolarHBondContact O-CB 3.28Å; G155-H158 PolarHBondContact O-N 3.25Å; A156-H158 PolarHBondContact O-N 3.5Å; A156-H158 VanDerWaalsContact O-N 3.13Å; H158-A161 PolarHBondContact O-N 3.2Å; H158-V162 WeakPolarHBondContact O-CG2 3.5Å; H158-V162 PolarHBondContact O-N 2.93Å; H158-V162 VanDerWaalsContact O-N 3.1Å |
| 159 | Q | 95.1 | Very high | 94.1 | Very high | 33 Ų | 33 | 23.7 Ų | 23.7 | 15% | 0.154 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.2 | -39.5 | -179.1 | -176.5 | 63.8 | 19 | 0 | 0 | 111.6 | A156 A161 V162 T163 T321 P390 | A156-Q159 PolarHBondContact O-N 3.31Å; Q159-A161 VanDerWaalsContact C-N 3.27Å; Q159-A161 PolarHBondContact O-N 3.24Å; Q159-V162 WeakPolarHBondContact O-CB 3.38Å; Q159-V162 PolarHBondContact O-N 3.48Å; Q159-V162 VanDerWaalsContact O-N 3.13Å; Q159-T163 WeakPolarHBondContact O-CG2 3.27Å; Q159-T163 PolarHBondContact O-N 2.92Å; Q159-T321 HydrophobicContact CG-CG2 4.42Å; Q159-P390 HydrophobicContact CB-CB 4.07Å; Q159-P390 HydrophobicContact CG-CB 4.29Å |
| 160 | L | 96.5 | Very high | 94.7 | Very high | 33 Ų | 33 | 21 Ų | 21 | 17% | 0.173 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -54.7 | -48.3 | 174.4 | 176.2 | 60.9 | 0 | 0 | 0 | 110.5 | A156 C157 V162 T163 V164 V318 T321 V322 L325 | A156-L160 PolarHBondContact O-N 3.08Å; C157-L160 PolarHBondContact O-N 3.02Å; L160-V162 VanDerWaalsContact C-N 3.33Å; L160-V162 PolarHBondContact O-N 2.96Å; L160-T163 PolarHBondContact O-N 2.65Å; L160-T163 VanDerWaalsContact O-N 3.11Å; L160-T163 PolarHBondContact O-OG1 3.41Å; L160-V164 HydrophobicContact CD1-CG2 4.15Å; L160-V164 HydrophobicContact CG-CG2 4.39Å; L160-V164 WeakPolarHBondContact O-CG2 3.3Å; L160-V164 PolarHBondContact O-N 3.09Å; L160-V318 HydrophobicContact CD1-CG1 4.24Å; L160-T321 HydrophobicContact CB-CG2 3.96Å; L160-T321 HydrophobicContact CD1-CG2 4.06Å; L160-V322 HydrophobicContact CD1-CG2 3.62Å; L160-V322 HydrophobicContact CD2-CG2 4.2Å; L160-L325 HydrophobicContact CD2-CD1 3.72Å |
| 161 | A | 97.8 | Very high | 95.2 | Very high | 10 Ų | 10 | 22.8 Ų | 22.8 | 8% | 0.083 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.7 | -41.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | C21 F26 C157 H158 Q159 T163 V164 G165 | C21-A161 HydrophobicContact CB-CB 3.78Å; C21-A161 WeakPolarHBondContact O-CB 3.4Å; F26-A161 VanDerWaalsContact CA-O 3.31Å; F26-A161 WeakPolarHBondContact CA-O 3.4Å; F26-A161 HydrophobicContact CB-CB 4.42Å; C157-A161 WeakPolarHBondContact O-CB 3.42Å; C157-A161 PolarHBondContact O-N 3.26Å; H158-A161 PolarHBondContact O-N 3.2Å; Q159-A161 VanDerWaalsContact C-N 3.27Å; Q159-A161 PolarHBondContact O-N 3.24Å; A161-T163 PolarHBondContact O-N 3.21Å; A161-V164 PolarHBondContact O-N 2.86Å; A161-G165 PolarHBondContact O-N 3.4Å |
| 162 | V | 97.1 | Very high | 95.6 | Very high | 10 Ų | 10 | 22.2 Ų | 22.2 | 6% | 0.061 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.8 | -47.9 | 172.5 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | S25 I28 G29 H158 Q159 L160 V164 G165 I166 | S25-V162 WeakPolarHBondContact O-CG2 3.31Å; I28-V162 HydrophobicContact CB-CG2 4.31Å; G29-V162 VanDerWaalsContact CA-O 3.3Å; G29-V162 WeakPolarHBondContact CA-O 3.43Å; H158-V162 WeakPolarHBondContact O-CG2 3.5Å; H158-V162 PolarHBondContact O-N 2.93Å; H158-V162 VanDerWaalsContact O-N 3.1Å; Q159-V162 WeakPolarHBondContact O-CB 3.38Å; Q159-V162 PolarHBondContact O-N 3.48Å; Q159-V162 VanDerWaalsContact O-N 3.13Å; L160-V162 VanDerWaalsContact C-N 3.33Å; L160-V162 PolarHBondContact O-N 2.96Å; V162-V164 PolarHBondContact O-N 3.39Å; V162-G165 WeakPolarHBondContact O-CA 3.29Å; V162-G165 PolarHBondContact O-N 2.85Å; V162-G165 VanDerWaalsContact O-N 3.16Å; V162-I166 HydrophobicContact CG1-CD1 4.31Å; V162-I166 WeakPolarHBondContact O-CG1 3.43Å; V162-I166 PolarHBondContact O-N 2.73Å |
| 163 | T | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.6 | -38.5 | 179.4 | 63 | 0 | 0 | 0 | 0 | 113 | Q159 L160 A161 G165 I166 A167 V318 T321 | Q159-T163 WeakPolarHBondContact O-CG2 3.27Å; Q159-T163 PolarHBondContact O-N 2.92Å; L160-T163 PolarHBondContact O-N 2.65Å; L160-T163 VanDerWaalsContact O-N 3.11Å; L160-T163 PolarHBondContact O-OG1 3.41Å; A161-T163 PolarHBondContact O-N 3.21Å; T163-G165 VanDerWaalsContact C-N 3.31Å; T163-G165 PolarHBondContact O-N 2.96Å; T163-I166 PolarHBondContact O-N 3.49Å; T163-A167 PolarHBondContact O-N 3.01Å; T163-V318 WeakPolarHBondContact O-CG2 3.43Å; T163-T321 HydrophobicContact CG2-CG2 4.43Å |
| 164 | V | 98.2 | Very high | 96.4 | Very high | 55 Ų | 55 | 21.9 Ų | 21.9 | 33% | 0.333 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -63.9 | -39.4 | 174.1 | 173.9 | 0 | 0 | 0 | 0 | 110.5 | F26 L160 A161 V162 A167 F168 V318 | F26-V164 HydrophobicContact CD2-CB 4.38Å; F26-V164 HydrophobicContact CD2-CG1 3.97Å; F26-V164 HydrophobicContact CE2-CG1 4.01Å; L160-V164 HydrophobicContact CD1-CG2 4.15Å; L160-V164 HydrophobicContact CG-CG2 4.39Å; L160-V164 WeakPolarHBondContact O-CG2 3.3Å; L160-V164 PolarHBondContact O-N 3.09Å; A161-V164 PolarHBondContact O-N 2.86Å; V162-V164 PolarHBondContact O-N 3.39Å; V164-A167 PolarHBondContact O-N 2.84Å; V164-F168 VanDerWaalsContact O-CB 3.25Å; V164-F168 WeakPolarHBondContact O-CB 3.47Å; V164-F168 PolarHBondContact O-N 2.96Å; V164-V318 HydrophobicContact CG2-CG1 3.81Å; V164-V318 HydrophobicContact CG2-CG2 4.01Å |
| 165 | G | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.5 | -47.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | F26 G29 Y30 A161 V162 T163 F168 S169 | F26-G165 VanDerWaalsContact CE2-CA 3.45Å; F26-G165 WeakPolarHBondContact O-CA 3.37Å; G29-G165 VanDerWaalsContact C-C 3.5Å; Y30-G165 WeakPolarHBondContact CA-O 3.34Å; A161-G165 PolarHBondContact O-N 3.4Å; V162-G165 WeakPolarHBondContact O-CA 3.29Å; V162-G165 PolarHBondContact O-N 2.85Å; V162-G165 VanDerWaalsContact O-N 3.16Å; T163-G165 VanDerWaalsContact C-N 3.31Å; T163-G165 PolarHBondContact O-N 2.96Å; G165-F168 PolarHBondContact O-N 3.11Å; G165-S169 WeakPolarHBondContact O-CB 3.2Å; G165-S169 PolarHBondContact O-N 2.74Å |
| 166 | I | 97 | Very high | 96.7 | Very high | 29 Ų | 29 | 30.6 Ų | 30.6 | 15% | 0.149 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61 | -52.8 | 177.2 | -64.9 | 167.9 | 0 | 0 | 0 | 110.2 | G29 V162 T163 F168 S169 Y170 | G29-I166 VanDerWaalsContact O-CG1 3.28Å; G29-I166 WeakPolarHBondContact O-CG1 3.21Å; V162-I166 HydrophobicContact CG1-CD1 4.31Å; V162-I166 WeakPolarHBondContact O-CG1 3.43Å; V162-I166 PolarHBondContact O-N 2.73Å; T163-I166 PolarHBondContact O-N 3.49Å; I166-F168 VanDerWaalsContact C-N 3.33Å; I166-F168 PolarHBondContact O-N 3.1Å; I166-S169 PolarHBondContact O-N 3.44Å; I166-S169 VanDerWaalsContact O-N 3.14Å; I166-S169 PolarHBondContact O-OG 3.47Å; I166-Y170 HydrophobicContact CG2-CD2 4.25Å; I166-Y170 HydrophobicContact CG2-CE1 4.24Å; I166-Y170 HydrophobicContact CG2-CE2 3.57Å; I166-Y170 PolarHBondContact O-N 3.24Å; I166-Y170 VanDerWaalsContact O-N 3.11Å |
| 167 | A | 97.7 | Very high | 96.9 | Very high | 9 Ų | 9 | 33.6 Ų | 33.6 | 7% | 0.074 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.5 | -42 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T163 V164 S169 Y170 F171 V318 | T163-A167 PolarHBondContact O-N 3.01Å; V164-A167 PolarHBondContact O-N 2.84Å; A167-S169 VanDerWaalsContact C-N 3.35Å; A167-Y170 PolarHBondContact O-N 2.96Å; A167-F171 PolarHBondContact O-N 3.41Å; A167-V318 HydrophobicContact CB-CG2 3.82Å |
| 168 | F | 98.2 | Very high | 97 | Very high | 90 Ų | 90 | 33.5 Ų | 33.5 | 40% | 0.395 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -67.5 | -35.4 | 177.1 | -171.9 | -97.4 | 0 | 0 | 0 | 112.3 | F26 Y30 V164 G165 I166 Y170 F171 I172 | F26-F168 HydrophobicContact CE2-CB 3.84Å; F26-F168 HydrophobicContact CE2-CD1 4.34Å; F26-F168 HydrophobicContact CE2-CG 4.21Å; F26-F168 HydrophobicContact CZ-CB 3.9Å; F26-F168 AromaticContact CZ-CD1 3.59Å; F26-F168 HydrophobicContact CZ-CD1 3.59Å; F26-F168 HydrophobicContact CZ-CE1 4.36Å; F26-F168 AromaticContact CZ-CG 3.91Å; F26-F168 HydrophobicContact CZ-CG 3.91Å; Y30-F168 HydrophobicContact CD2-CD1 4.03Å; Y30-F168 AromaticContact CE2-CD1 3.81Å; Y30-F168 HydrophobicContact CE2-CD1 3.81Å; Y30-F168 HydrophobicContact CE2-CE1 4.18Å; V164-F168 VanDerWaalsContact O-CB 3.25Å; V164-F168 WeakPolarHBondContact O-CB 3.47Å; V164-F168 PolarHBondContact O-N 2.96Å; G165-F168 PolarHBondContact O-N 3.11Å; I166-F168 VanDerWaalsContact C-N 3.33Å; I166-F168 PolarHBondContact O-N 3.1Å; F168-Y170 VanDerWaalsContact C-N 3.3Å; F168-Y170 PolarHBondContact O-N 2.88Å; F168-F171 HydrophobicContact CD2-CD1 4.28Å; F168-F171 HydrophobicContact CE2-CD1 4.12Å; F168-F171 WeakPolarHBondContact O-CB 3.49Å; F168-F171 PolarHBondContact O-N 3.18Å; F168-I172 HydrophobicContact CE1-CB 4.48Å; F168-I172 HydrophobicContact CE1-CD1 4.14Å; F168-I172 HydrophobicContact CZ-CD1 4.47Å; F168-I172 PolarHBondContact O-N 3.37Å |
| 169 | S | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.3 | -37.1 | 174.2 | 77.7 | 0 | 0 | 0 | 0 | 112 | Y30 G33 V34 G165 I166 A167 I172 T173 | Y30-S169 WeakPolarHBondContact O-CB 3.27Å; G33-S169 WeakPolarHBondContact CA-OG 3.35Å; V34-S169 PolarHBondContact N-OG 3.37Å; G165-S169 WeakPolarHBondContact O-CB 3.2Å; G165-S169 PolarHBondContact O-N 2.74Å; I166-S169 PolarHBondContact O-N 3.44Å; I166-S169 VanDerWaalsContact O-N 3.14Å; I166-S169 PolarHBondContact O-OG 3.47Å; A167-S169 VanDerWaalsContact C-N 3.35Å; S169-I172 WeakPolarHBondContact O-CG2 3.28Å; S169-T173 WeakPolarHBondContact O-CB 3.39Å; S169-T173 WeakPolarHBondContact O-CG2 3.19Å; S169-T173 PolarHBondContact O-N 2.94Å; S169-T173 PolarHBondContact O-OG1 2.93Å |
| 170 | Y | 97.1 | Very high | 97.2 | Very high | 15 Ų | 15 | 34.8 Ų | 34.8 | 6% | 0.059 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.5 | -42.1 | 173.8 | -61.4 | -19.9 | 0 | 0 | 0 | 111.5 | N36 L37 I166 A167 F168 T173 F174 V310 | N36-Y170 HydrophobicContact CB-CE1 3.88Å; N36-Y170 PolarHBondContact ND2-OH 3.08Å; N36-Y170 VanDerWaalsContact ND2-OH 3.08Å; L37-Y170 WeakPolarHBondContact CD1-O 3.32Å; L37-Y170 HydrophobicContact CG-CD1 4.44Å; I166-Y170 HydrophobicContact CG2-CD2 4.25Å; I166-Y170 HydrophobicContact CG2-CE1 4.24Å; I166-Y170 HydrophobicContact CG2-CE2 3.57Å; I166-Y170 PolarHBondContact O-N 3.24Å; I166-Y170 VanDerWaalsContact O-N 3.11Å; A167-Y170 PolarHBondContact O-N 2.96Å; F168-Y170 VanDerWaalsContact C-N 3.3Å; F168-Y170 PolarHBondContact O-N 2.88Å; Y170-T173 CarbonylContact O-C 3.54Å; Y170-T173 PolarHBondContact O-N 3.47Å; Y170-T173 PolarHBondContact O-OG1 3Å; Y170-F174 PolarHBondContact O-N 2.67Å; Y170-V310 HydrophobicContact CD1-CG1 4.21Å; Y170-V310 HydrophobicContact CD2-CG1 3.7Å; Y170-V310 WeakPolarHBondContact CD2-O 3.37Å; Y170-V310 HydrophobicContact CE1-CG1 4.18Å; Y170-V310 HydrophobicContact CE2-CG1 3.64Å; Y170-V310 HydrophobicContact CG-CG1 3.98Å |
| 171 | F | 97.8 | Very high | 97.1 | Very high | 91 Ų | 91 | 37.1 Ų | 37.1 | 40% | 0.399 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -57.1 | -53.7 | 175.1 | 175 | -106.8 | 0 | 0 | 0 | 111.7 | A167 F168 T173 F174 L177 F311 | A167-F171 PolarHBondContact O-N 3.41Å; F168-F171 HydrophobicContact CD2-CD1 4.28Å; F168-F171 HydrophobicContact CE2-CD1 4.12Å; F168-F171 WeakPolarHBondContact O-CB 3.49Å; F168-F171 PolarHBondContact O-N 3.18Å; F171-T173 PolarHBondContact O-N 3.42Å; F171-F174 HydrophobicContact CD2-CD2 4.04Å; F171-F174 AromaticContact CD2-CE2 3.83Å; F171-F174 HydrophobicContact CD2-CE2 3.83Å; F171-F174 HydrophobicContact CE2-CE2 4.48Å; F171-F174 WeakPolarHBondContact O-CD2 3.35Å; F171-F174 PolarHBondContact O-N 3.17Å; F171-L177 HydrophobicContact CE1-CD1 4.42Å; F171-L177 HydrophobicContact CZ-CD1 4.34Å; F171-L177 WeakPolarHBondContact O-CD1 3.45Å; F171-F311 HydrophobicContact CB-CD2 4.1Å; F171-F311 HydrophobicContact CB-CE2 3.69Å; F171-F311 HydrophobicContact CB-CZ 4.44Å; F171-F311 HydrophobicContact CD2-CE2 4.36Å; F171-F311 HydrophobicContact CD2-CZ 4.33Å; F171-F311 HydrophobicContact CG-CE2 4.46Å |
| 172 | I | 97.7 | Very high | 97 | Very high | 23 Ų | 23 | 42.1 Ų | 42.1 | 12% | 0.118 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.6 | -20.2 | -174.8 | -152.6 | 176.3 | 0 | 0 | 0 | 113 | Y30 F168 S169 L178 L190 | Y30-I172 HydrophobicContact CE2-CG2 4.03Å; F168-I172 HydrophobicContact CE1-CB 4.48Å; F168-I172 HydrophobicContact CE1-CD1 4.14Å; F168-I172 HydrophobicContact CZ-CD1 4.47Å; F168-I172 PolarHBondContact O-N 3.37Å; S169-I172 WeakPolarHBondContact O-CG2 3.28Å; I172-L178 HydrophobicContact CD1-CD1 3.79Å; I172-L178 HydrophobicContact CG1-CD1 3.72Å; I172-L178 HydrophobicContact CG1-CG 4.27Å; I172-L178 WeakPolarHBondContact O-CB 3.07Å; I172-L178 PolarHBondContact O-N 3.5Å; I172-L190 HydrophobicContact CD1-CD1 3.59Å |
| 173 | T | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 25.2 | 177.1 | 60 | 0 | 0 | 0 | 0 | 113.3 | V34 P38 S169 Y170 F171 N179 A187 | V34-T173 HydrophobicContact CG2-CG2 4.08Å; P38-T173 HydrophobicContact CG-CG2 3.7Å; S169-T173 WeakPolarHBondContact O-CB 3.39Å; S169-T173 WeakPolarHBondContact O-CG2 3.19Å; S169-T173 PolarHBondContact O-N 2.94Å; S169-T173 PolarHBondContact O-OG1 2.93Å; Y170-T173 CarbonylContact O-C 3.54Å; Y170-T173 PolarHBondContact O-N 3.47Å; Y170-T173 PolarHBondContact O-OG1 3Å; F171-T173 PolarHBondContact O-N 3.42Å; T173-N179 WeakPolarHBondContact O-CB 3.48Å; T173-N179 PolarHBondContact O-ND2 3.4Å; T173-A187 HydrophobicContact CG2-CB 3.86Å |
| 174 | F | 97 | Very high | 97.1 | Very high | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.035 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -63.2 | 148.3 | 160.9 | -78.8 | -46.5 | 0 | 0 | 0 | 111.7 | Y170 F171 F176 L177 N179 Q307 Y308 F311 | Y170-F174 PolarHBondContact O-N 2.67Å; F171-F174 HydrophobicContact CD2-CD2 4.04Å; F171-F174 AromaticContact CD2-CE2 3.83Å; F171-F174 HydrophobicContact CD2-CE2 3.83Å; F171-F174 HydrophobicContact CE2-CE2 4.48Å; F171-F174 WeakPolarHBondContact O-CD2 3.35Å; F171-F174 PolarHBondContact O-N 3.17Å; F174-F176 HydrophobicContact CB-CD1 3.81Å; F174-F176 HydrophobicContact CB-CE1 3.44Å; F174-F176 VanDerWaalsContact CB-CE1 3.44Å; F174-F176 HydrophobicContact CB-CG 4.48Å; F174-F176 HydrophobicContact CB-CZ 3.84Å; F174-F176 HydrophobicContact CD1-CE1 4.36Å; F174-F176 AromaticContact CD2-CE1 3.74Å; F174-F176 HydrophobicContact CD2-CE1 3.74Å; F174-F176 AromaticContact CD2-CZ 3.63Å; F174-F176 HydrophobicContact CD2-CZ 3.63Å; F174-F176 HydrophobicContact CE2-CZ 4.43Å; F174-F176 HydrophobicContact CG-CD1 4.42Å; F174-F176 AromaticContact CG-CE1 3.62Å; F174-F176 HydrophobicContact CG-CE1 3.62Å; F174-F176 AromaticContact CG-CZ 3.97Å; F174-F176 HydrophobicContact CG-CZ 3.97Å; F174-F176 PolarHBondContact O-N 2.82Å; F174-L177 HydrophobicContact CB-CD1 4.34Å; F174-L177 HydrophobicContact CB-CG 4.43Å; F174-L177 PolarHBondContact O-N 2.95Å; F174-N179 WeakPolarHBondContact O-CB 3.35Å; F174-N179 PolarHBondContact O-N 3Å; F174-Q307 HydrophobicContact CD1-CB 3.96Å; F174-Q307 HydrophobicContact CD1-CG 3.87Å; F174-Q307 HydrophobicContact CE1-CB 4.04Å; F174-Q307 HydrophobicContact CE1-CG 3.99Å; F174-Y308 AromaticContact CE1-CD1 3.94Å; F174-Y308 HydrophobicContact CE1-CD1 3.94Å; F174-Y308 HydrophobicContact CE1-CE1 4.28Å; F174-Y308 AromaticContact CZ-CD1 3.97Å; F174-Y308 HydrophobicContact CZ-CD1 3.97Å; F174-Y308 HydrophobicContact CZ-CE1 4.38Å; F174-F311 HydrophobicContact CE1-CB 3.98Å; F174-F311 HydrophobicContact CE1-CG 4.46Å; F174-F311 HydrophobicContact CE2-CD1 4.25Å; F174-F311 HydrophobicContact CE2-CG 4.2Å; F174-F311 HydrophobicContact CZ-CB 3.58Å; F174-F311 AromaticContact CZ-CD1 3.73Å; F174-F311 HydrophobicContact CZ-CD1 3.73Å; F174-F311 HydrophobicContact CZ-CD2 4.31Å; F174-F311 AromaticContact CZ-CG 3.6Å; F174-F311 HydrophobicContact CZ-CG 3.6Å |
| 175 | T | 95.4 | Very high | 97.1 | Very high | 76 Ų | 76 | 42.4 Ų | 42.4 | 47% | 0.466 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -27.5 | -177.3 | 53.5 | 0 | 0 | 0 | 0 | 113.8 | L177 Q307 | T175-L177 VanDerWaalsContact C-N 3.31Å; T175-Q307 PolarHBondContact OG1-NE2 3.47Å; T175-Q307 VanDerWaalsContact OG1-NE2 3.08Å; T175-Q307 PolarHBondContact OG1-OE1 2.91Å |
| 176 | F | 95.1 | Very high | 97 | Very high | 127 Ų | 127 | 46.3 Ų | 46.3 | 56% | 0.557 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -1.6 | 175 | 65.9 | -92.8 | 0 | 0 | 0 | 113.9 | F174 | F174-F176 HydrophobicContact CB-CD1 3.81Å; F174-F176 HydrophobicContact CB-CE1 3.44Å; F174-F176 VanDerWaalsContact CB-CE1 3.44Å; F174-F176 HydrophobicContact CB-CG 4.48Å; F174-F176 HydrophobicContact CB-CZ 3.84Å; F174-F176 HydrophobicContact CD1-CE1 4.36Å; F174-F176 AromaticContact CD2-CE1 3.74Å; F174-F176 HydrophobicContact CD2-CE1 3.74Å; F174-F176 AromaticContact CD2-CZ 3.63Å; F174-F176 HydrophobicContact CD2-CZ 3.63Å; F174-F176 HydrophobicContact CE2-CZ 4.43Å; F174-F176 HydrophobicContact CG-CD1 4.42Å; F174-F176 AromaticContact CG-CE1 3.62Å; F174-F176 HydrophobicContact CG-CE1 3.62Å; F174-F176 AromaticContact CG-CZ 3.97Å; F174-F176 HydrophobicContact CG-CZ 3.97Å; F174-F176 PolarHBondContact O-N 2.82Å |
| 177 | L | 97.3 | Very high | 97.1 | Very high | 64 Ų | 64 | 44.9 Ų | 44.9 | 34% | 0.335 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | -112.2 | 176.7 | -64.5 | 176.7 | 0 | 0 | 0 | 110 | F171 F174 T175 | F171-L177 HydrophobicContact CE1-CD1 4.42Å; F171-L177 HydrophobicContact CZ-CD1 4.34Å; F171-L177 WeakPolarHBondContact O-CD1 3.45Å; F174-L177 HydrophobicContact CB-CD1 4.34Å; F174-L177 HydrophobicContact CB-CG 4.43Å; F174-L177 PolarHBondContact O-N 2.95Å; T175-L177 VanDerWaalsContact C-N 3.31Å |
| 178 | L | 97.4 | Very high | 97.1 | Very high | 27 Ų | 27 | 44.5 Ų | 44.5 | 14% | 0.141 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -5.3 | -173.6 | -57.7 | -177.3 | 0 | 0 | 0 | 113.7 | I172 T180 L183 W184 L186 A187 L190 | I172-L178 HydrophobicContact CD1-CD1 3.79Å; I172-L178 HydrophobicContact CG1-CD1 3.72Å; I172-L178 HydrophobicContact CG1-CG 4.27Å; I172-L178 WeakPolarHBondContact O-CB 3.07Å; I172-L178 PolarHBondContact O-N 3.5Å; L178-T180 PolarHBondContact O-N 3.16Å; L178-L183 HydrophobicContact CB-CB 4.41Å; L178-L183 HydrophobicContact CD2-CB 4.25Å; L178-L183 HydrophobicContact CD2-CD1 4.38Å; L178-L183 CarbonylContact O-C 3.04Å; L178-L183 WeakPolarHBondContact O-CB 3.46Å; L178-W184 WeakPolarHBondContact O-CA 3.38Å; L178-W184 PolarHBondContact O-N 3.48Å; L178-L186 HydrophobicContact CD2-CD2 4.3Å; L178-A187 HydrophobicContact CB-CB 3.89Å; L178-A187 HydrophobicContact CD1-CB 3.85Å; L178-L190 HydrophobicContact CD1-CD1 3.46Å; L178-L190 VanDerWaalsContact CD1-CD1 3.46Å |
| 179 | N | 96.5 | Very high | 97 | Very high | 14 Ų | 14 | 41.1 Ų | 41.1 | 8% | 0.075 | 21% | 0.214 | C | C | . | . | trans | -84.1 | 68.4 | 178.3 | -175.4 | 13.7 | 0 | 0 | 0 | 111.9 | L37 P38 N41 T173 F174 | L37-N179 PolarHBondContact O-ND2 2.72Å; L37-N179 VanDerWaalsContact O-ND2 3.16Å; P38-N179 VanDerWaalsContact CA-OD1 3.24Å; P38-N179 WeakPolarHBondContact CA-OD1 3.39Å; P38-N179 WeakPolarHBondContact CB-OD1 3.31Å; P38-N179 HydrophobicContact CG-CB 4.31Å; N41-N179 PolarHBondContact ND2-O 3.26Å; N41-N179 PolarHBondContact ND2-OD1 2.87Å; T173-N179 WeakPolarHBondContact O-CB 3.48Å; T173-N179 PolarHBondContact O-ND2 3.4Å; F174-N179 WeakPolarHBondContact O-CB 3.35Å; F174-N179 PolarHBondContact O-N 3Å | ||
| 180 | T | 96.6 | Very high | 97 | Very high | 50 Ų | 50 | 44 Ų | 44 | 31% | 0.307 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -125.5 | 164.7 | 171.6 | 72.2 | 0 | 0 | 0 | 0 | 109.4 | L178 N182 L183 W184 | L178-T180 PolarHBondContact O-N 3.16Å; T180-N182 PolarHBondContact O-N 3.34Å; T180-L183 PolarHBondContact O-N 3.44Å; T180-L183 VanDerWaalsContact OG1-CB 3.31Å; T180-L183 WeakPolarHBondContact OG1-CB 3.45Å; T180-L183 WeakPolarHBondContact OG1-CG 3.43Å; T180-L183 PolarHBondContact OG1-N 2.86Å; T180-W184 VanDerWaalsContact O-CD1 3.29Å; T180-W184 PolarHBondContact O-N 3.48Å |
| 181 | L | 95.5 | Very high | 96.9 | Very high | 82 Ų | 82 | 43.5 Ų | 43.5 | 43% | 0.429 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -34 | -179 | -70.1 | 172.6 | 0 | 0 | 0 | 113.7 | N41 I44 W184 | N41-L181 HydrophobicContact CB-CD2 4.3Å; N41-L181 WeakPolarHBondContact OD1-CD2 3.16Å; I44-L181 HydrophobicContact CB-CD2 4.05Å; I44-L181 HydrophobicContact CD1-CD2 3.99Å; I44-L181 HydrophobicContact CG2-CD2 3.72Å; L181-W184 PolarHBondContact O-NE1 2.9Å |
| 182 | N | 95.7 | Very high | 96.9 | Very high | 114 Ų | 114 | 39.8 Ų | 39.8 | 61% | 0.61 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | -23.5 | -175.5 | -63.4 | -39.6 | 0 | 0 | 0 | 114.3 | T180 | T180-N182 PolarHBondContact O-N 3.34Š|
| 183 | L | 97.2 | Very high | 96.8 | Very high | 70 Ų | 70 | 42.2 Ų | 42.2 | 37% | 0.366 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -14.1 | -170.9 | -61.6 | 178 | 0 | 0 | 0 | 114.3 | L178 T180 P185 L186 A187 | L178-L183 HydrophobicContact CB-CB 4.41Å; L178-L183 HydrophobicContact CD2-CB 4.25Å; L178-L183 HydrophobicContact CD2-CD1 4.38Å; L178-L183 CarbonylContact O-C 3.04Å; L178-L183 WeakPolarHBondContact O-CB 3.46Å; T180-L183 PolarHBondContact O-N 3.44Å; T180-L183 VanDerWaalsContact OG1-CB 3.31Å; T180-L183 WeakPolarHBondContact OG1-CB 3.45Å; T180-L183 WeakPolarHBondContact OG1-CG 3.43Å; T180-L183 PolarHBondContact OG1-N 2.86Å; L183-P185 VanDerWaalsContact C-N 3.29Å; L183-L186 HydrophobicContact CD2-CD2 4.44Å; L183-L186 WeakPolarHBondContact O-CA 3.26Å; L183-L186 VanDerWaalsContact O-CB 3.26Å; L183-L186 WeakPolarHBondContact O-CB 3.43Å; L183-L186 PolarHBondContact O-N 3.26Å; L183-A187 PolarHBondContact O-N 2.78Å |
| 184 | W | 97.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.5 | -33 | -179.9 | 74.3 | -98.5 | 0 | 0 | 0 | 113.5 | L35 P38 I42 Y45 V112 L120 L178 T180 L181 L186 A187 V188 | L35-W184 HydrophobicContact CD2-CE3 4.38Å; L35-W184 HydrophobicContact CD2-CZ3 4.29Å; P38-W184 HydrophobicContact CB-CB 3.75Å; P38-W184 HydrophobicContact CB-CG 4.27Å; P38-W184 HydrophobicContact CG-CB 4.2Å; I42-W184 HydrophobicContact CD1-CD2 4.49Å; I42-W184 HydrophobicContact CD1-CE3 4.12Å; I42-W184 HydrophobicContact CD1-CZ3 4.3Å; I42-W184 HydrophobicContact CG1-CD2 3.75Å; I42-W184 HydrophobicContact CG1-CE3 3.79Å; I42-W184 HydrophobicContact CG1-CG 4.45Å; I42-W184 HydrophobicContact CG1-CH2 4.07Å; I42-W184 HydrophobicContact CG1-CZ2 3.98Å; I42-W184 HydrophobicContact CG1-CZ3 3.97Å; Y45-W184 HydrophobicContact CD1-CZ2 4.18Å; Y45-W184 HydrophobicContact CG-CZ2 4.36Å; V112-W184 HydrophobicContact CG2-CZ2 3.72Å; L120-W184 HydrophobicContact CD1-CH2 3.97Å; L120-W184 HydrophobicContact CD1-CZ3 3.96Å; L120-W184 HydrophobicContact CD2-CH2 3.86Å; L120-W184 HydrophobicContact CD2-CZ3 4.49Å; L120-W184 HydrophobicContact CG-CH2 4.44Å; L178-W184 WeakPolarHBondContact O-CA 3.38Å; L178-W184 PolarHBondContact O-N 3.48Å; T180-W184 VanDerWaalsContact O-CD1 3.29Å; T180-W184 PolarHBondContact O-N 3.48Å; L181-W184 PolarHBondContact O-NE1 2.9Å; W184-L186 VanDerWaalsContact C-N 3.28Å; W184-L186 PolarHBondContact O-N 2.77Å; W184-A187 VanDerWaalsContact O-CB 3.28Å; W184-A187 WeakPolarHBondContact O-CB 3.46Å; W184-A187 PolarHBondContact O-N 3.31Å; W184-A187 VanDerWaalsContact O-N 3.15Å; W184-V188 HydrophobicContact CE3-CG2 4.25Å; W184-V188 HydrophobicContact CZ3-CG2 4.24Å; W184-V188 PolarHBondContact O-N 2.81Å |
| 185 | P | 97.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.4 | -31.1 | 174.9 | -18.5 | 32.5 | 0 | 0 | 0 | 112.4 | V108 G109 V112 L183 A187 V188 A189 | V108-P185 HydrophobicContact CG1-CB 4.45Å; G109-P185 WeakPolarHBondContact O-CB 3.49Å; V112-P185 HydrophobicContact CB-CG 3.93Å; V112-P185 HydrophobicContact CG2-CG 3.35Å; L183-P185 VanDerWaalsContact C-N 3.29Å; P185-A187 VanDerWaalsContact C-N 3.28Å; P185-A187 PolarHBondContact O-N 3.46Å; P185-V188 WeakPolarHBondContact O-CB 3.25Å; P185-V188 PolarHBondContact O-N 3.37Å; P185-V188 VanDerWaalsContact O-N 3.16Å; P185-A189 PolarHBondContact O-N 2.76Å |
| 186 | L | 97.4 | Very high | 96.9 | Very high | 81 Ų | 81 | 41.1 Ų | 41.1 | 42% | 0.424 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.1 | -37.1 | 173.7 | -179.5 | 62.1 | 0 | 0 | 0 | 110.4 | L178 L183 W184 V188 A189 L190 | L178-L186 HydrophobicContact CD2-CD2 4.3Å; L183-L186 HydrophobicContact CD2-CD2 4.44Å; L183-L186 WeakPolarHBondContact O-CA 3.26Å; L183-L186 VanDerWaalsContact O-CB 3.26Å; L183-L186 WeakPolarHBondContact O-CB 3.43Å; L183-L186 PolarHBondContact O-N 3.26Å; W184-L186 VanDerWaalsContact C-N 3.28Å; W184-L186 PolarHBondContact O-N 2.77Å; L186-V188 VanDerWaalsContact C-N 3.31Å; L186-V188 PolarHBondContact O-N 3.43Å; L186-A189 PolarHBondContact O-N 3.26Å; L186-L190 HydrophobicContact CD1-CG 4.44Å; L186-L190 HydrophobicContact CG-CG 4.45Å; L186-L190 VanDerWaalsContact O-CG 3.3Å; L186-L190 WeakPolarHBondContact O-CG 3.47Å; L186-L190 PolarHBondContact O-N 3.25Å |
| 187 | A | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.6 | -45 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111 | Y30 V34 T173 L178 L183 W184 P185 A189 L190 | Y30-A187 WeakPolarHBondContact CE1-O 3.22Å; Y30-A187 VanDerWaalsContact CZ-O 3.31Å; Y30-A187 PolarHBondContact OH-O 3Å; V34-A187 HydrophobicContact CG2-CB 3.98Å; T173-A187 HydrophobicContact CG2-CB 3.86Å; L178-A187 HydrophobicContact CB-CB 3.89Å; L178-A187 HydrophobicContact CD1-CB 3.85Å; L183-A187 PolarHBondContact O-N 2.78Å; W184-A187 VanDerWaalsContact O-CB 3.28Å; W184-A187 WeakPolarHBondContact O-CB 3.46Å; W184-A187 PolarHBondContact O-N 3.31Å; W184-A187 VanDerWaalsContact O-N 3.15Å; P185-A187 VanDerWaalsContact C-N 3.28Å; P185-A187 PolarHBondContact O-N 3.46Å; A187-A189 PolarHBondContact O-N 3.41Å; A187-L190 PolarHBondContact O-N 3.05Å |
| 188 | V | 97.7 | Very high | 97 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.1 | -45.8 | 175.4 | -171.7 | 0 | 0 | 0 | 0 | 111.2 | V34 L35 V108 I127 W184 P185 L186 L190 G191 | V34-V188 HydrophobicContact CG1-CG2 4.17Å; V34-V188 HydrophobicContact CG2-CG2 4.19Å; L35-V188 HydrophobicContact CD2-CG2 3.51Å; V108-V188 HydrophobicContact CB-CB 4.35Å; V108-V188 HydrophobicContact CB-CG1 4.01Å; V108-V188 HydrophobicContact CG1-CB 3.78Å; V108-V188 HydrophobicContact CG1-CG1 3.8Å; V108-V188 HydrophobicContact CG1-CG2 4.18Å; V108-V188 HydrophobicContact CG2-CG1 4.03Å; I127-V188 HydrophobicContact CD1-CG1 3.95Å; W184-V188 HydrophobicContact CE3-CG2 4.25Å; W184-V188 HydrophobicContact CZ3-CG2 4.24Å; W184-V188 PolarHBondContact O-N 2.81Å; P185-V188 WeakPolarHBondContact O-CB 3.25Å; P185-V188 PolarHBondContact O-N 3.37Å; P185-V188 VanDerWaalsContact O-N 3.16Å; L186-V188 VanDerWaalsContact C-N 3.31Å; L186-V188 PolarHBondContact O-N 3.43Å; V188-L190 VanDerWaalsContact C-N 3.3Å; V188-L190 PolarHBondContact O-N 3.17Å; V188-G191 PolarHBondContact O-N 3.32Å; V188-G191 VanDerWaalsContact O-N 3.11Å |
| 189 | A | 97.6 | Very high | 97 | Very high | 19 Ų | 19 | 37.6 Ų | 37.6 | 16% | 0.157 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.5 | -32.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | G105 P185 L186 A187 G191 A192 | G105-A189 WeakPolarHBondContact O-CA 3.33Å; G105-A189 WeakPolarHBondContact O-CB 3.14Å; P185-A189 PolarHBondContact O-N 2.76Å; L186-A189 PolarHBondContact O-N 3.26Å; A187-A189 PolarHBondContact O-N 3.41Å; A189-G191 PolarHBondContact O-N 2.8Å; A189-G191 VanDerWaalsContact O-N 3.13Å; A189-A192 VanDerWaalsContact O-CB 3.22Å; A189-A192 WeakPolarHBondContact O-CB 3.48Å; A189-A192 PolarHBondContact O-N 3.3Å |
| 190 | L | 97.3 | Very high | 97 | Very high | 61 Ų | 61 | 41.6 Ų | 41.6 | 32% | 0.319 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.5 | -15.6 | 176.7 | -74.8 | 174.9 | 0 | 0 | 0 | 113.7 | I172 L178 L186 A187 V188 A192 V193 P194 | I172-L190 HydrophobicContact CD1-CD1 3.59Å; L178-L190 HydrophobicContact CD1-CD1 3.46Å; L178-L190 VanDerWaalsContact CD1-CD1 3.46Å; L186-L190 HydrophobicContact CD1-CG 4.44Å; L186-L190 HydrophobicContact CG-CG 4.45Å; L186-L190 VanDerWaalsContact O-CG 3.3Å; L186-L190 WeakPolarHBondContact O-CG 3.47Å; L186-L190 PolarHBondContact O-N 3.25Å; A187-L190 PolarHBondContact O-N 3.05Å; V188-L190 VanDerWaalsContact C-N 3.3Å; V188-L190 PolarHBondContact O-N 3.17Å; L190-A192 PolarHBondContact O-N 3.47Å; L190-V193 HydrophobicContact CD2-CG2 4.09Å; L190-V193 WeakPolarHBondContact O-CB 3.33Å; L190-V193 PolarHBondContact O-N 3.12Å; L190-P194 WeakPolarHBondContact O-CD 3.49Å |
| 191 | G | 95.2 | Very high | 97.1 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 4% | 0.041 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -23.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L27 V188 A189 V193 P194 | L27-G191 WeakPolarHBondContact CD1-O 3.38Å; V188-G191 PolarHBondContact O-N 3.32Å; V188-G191 VanDerWaalsContact O-N 3.11Å; A189-G191 PolarHBondContact O-N 2.8Å; A189-G191 VanDerWaalsContact O-N 3.13Å; G191-V193 PolarHBondContact O-N 3.36Å; G191-P194 WeakPolarHBondContact O-CD 3.33Å |
| 192 | A | 96.6 | Very high | 97.2 | Very high | 12 Ų | 12 | 37 Ų | 37 | 10% | 0.099 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.5 | -21.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I102 A189 L190 A195 A196 | I102-A192 HydrophobicContact CB-CB 4.41Å; I102-A192 HydrophobicContact CG1-CB 4.34Å; I102-A192 HydrophobicContact CG2-CB 4.36Å; A189-A192 VanDerWaalsContact O-CB 3.22Å; A189-A192 WeakPolarHBondContact O-CB 3.48Å; A189-A192 PolarHBondContact O-N 3.3Å; L190-A192 PolarHBondContact O-N 3.47Å; A192-A195 PolarHBondContact O-N 3.37Å; A192-A196 WeakPolarHBondContact O-CB 3Å; A192-A196 PolarHBondContact O-N 3.35Å |
| 193 | V | 97.1 | Very high | 97.3 | Very high | 74 Ų | 74 | 34.8 Ų | 34.8 | 45% | 0.448 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.7 | -52.5 | -174.2 | 174.4 | 0 | 0 | 0 | 0 | 112.2 | L190 G191 A195 A196 I197 | L190-V193 HydrophobicContact CD2-CG2 4.09Å; L190-V193 WeakPolarHBondContact O-CB 3.33Å; L190-V193 PolarHBondContact O-N 3.12Å; G191-V193 PolarHBondContact O-N 3.36Å; V193-A195 VanDerWaalsContact C-N 3.26Å; V193-A195 PolarHBondContact O-N 3.31Å; V193-A196 PolarHBondContact O-N 3.21Å; V193-A196 VanDerWaalsContact O-N 3.16Å; V193-I197 HydrophobicContact CG1-CD1 4.07Å; V193-I197 WeakPolarHBondContact O-CG1 3.48Å; V193-I197 PolarHBondContact O-N 2.8Å |
| 194 | P | 96.8 | Very high | 97.2 | Very high | 20 Ų | 20 | 37.8 Ų | 37.8 | 13% | 0.13 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58 | -37.9 | 173.7 | -23.7 | 32.1 | 0 | 0 | 0 | 113.2 | V22 F26 L190 G191 I197 S198 | V22-P194 WeakPolarHBondContact O-CB 3.16Å; F26-P194 HydrophobicContact CD1-CB 4.34Å; F26-P194 HydrophobicContact CD1-CG 4.03Å; F26-P194 HydrophobicContact CE1-CG 3.84Å; L190-P194 WeakPolarHBondContact O-CD 3.49Å; G191-P194 WeakPolarHBondContact O-CD 3.33Å; P194-I197 PolarHBondContact O-N 3Å; P194-S198 VanDerWaalsContact O-CB 3.31Å; P194-S198 WeakPolarHBondContact O-CB 3.31Å; P194-S198 PolarHBondContact O-N 2.96Å |
| 195 | A | 97.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L27 N98 I102 A192 V193 S198 L199 | L27-A195 HydrophobicContact CD2-CB 3.99Å; N98-A195 HydrophobicContact CB-CB 4.3Å; I102-A195 HydrophobicContact CD1-CB 4.38Å; I102-A195 HydrophobicContact CG1-CB 3.77Å; A192-A195 PolarHBondContact O-N 3.37Å; V193-A195 VanDerWaalsContact C-N 3.26Å; V193-A195 PolarHBondContact O-N 3.31Å; A195-S198 WeakPolarHBondContact O-CB 3.39Å; A195-S198 PolarHBondContact O-N 3.14Å; A195-L199 WeakPolarHBondContact O-CB 3.48Å; A195-L199 PolarHBondContact O-N 2.84Å |
| 196 | A | 97.9 | Very high | 97.2 | Very high | 41 Ų | 41 | 38.2 Ų | 38.2 | 34% | 0.339 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.4 | -43.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I102 A192 V193 S198 L199 V200 | I102-A196 HydrophobicContact CD1-CB 4.05Å; I102-A196 HydrophobicContact CG1-CB 4.48Å; A192-A196 WeakPolarHBondContact O-CB 3Å; A192-A196 PolarHBondContact O-N 3.35Å; V193-A196 PolarHBondContact O-N 3.21Å; V193-A196 VanDerWaalsContact O-N 3.16Å; A196-S198 VanDerWaalsContact C-N 3.29Å; A196-S198 PolarHBondContact O-N 3.47Å; A196-L199 WeakPolarHBondContact O-CB 3.5Å; A196-L199 PolarHBondContact O-N 2.94Å; A196-V200 PolarHBondContact O-N 2.7Å |
| 197 | I | 97.2 | Very high | 97.2 | Very high | 93 Ų | 93 | 34.6 Ų | 34.6 | 48% | 0.477 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.5 | -43.3 | 174.6 | -64.8 | 168 | 0 | 0 | 0 | 110.2 | I19 V193 P194 V200 T201 | I19-I197 HydrophobicContact CD1-CG2 4.15Å; V193-I197 HydrophobicContact CG1-CD1 4.07Å; V193-I197 WeakPolarHBondContact O-CG1 3.48Å; V193-I197 PolarHBondContact O-N 2.8Å; P194-I197 PolarHBondContact O-N 3Å; I197-V200 PolarHBondContact O-N 3.1Å; I197-T201 VanDerWaalsContact O-CB 3.32Å; I197-T201 WeakPolarHBondContact O-CB 3.32Å; I197-T201 PolarHBondContact O-N 2.76Å; I197-T201 VanDerWaalsContact O-N 3.08Å; I197-T201 PolarHBondContact O-OG1 3.49Å |
| 198 | S | 96.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.6 | -40.8 | 177.4 | -165.8 | 0 | 0 | 0 | 0 | 113 | G23 N98 P194 A195 A196 V200 T201 L202 | G23-S198 VanDerWaalsContact CA-CB 3.42Å; N98-S198 WeakPolarHBondContact ND2-CB 3.39Å; N98-S198 PolarHBondContact ND2-OG 3.07Å; P194-S198 VanDerWaalsContact O-CB 3.31Å; P194-S198 WeakPolarHBondContact O-CB 3.31Å; P194-S198 PolarHBondContact O-N 2.96Å; A195-S198 WeakPolarHBondContact O-CB 3.39Å; A195-S198 PolarHBondContact O-N 3.14Å; A196-S198 VanDerWaalsContact C-N 3.29Å; A196-S198 PolarHBondContact O-N 3.47Å; S198-V200 VanDerWaalsContact C-N 3.3Å; S198-V200 PolarHBondContact O-N 3.16Å; S198-T201 PolarHBondContact O-N 3.07Å; S198-L202 VanDerWaalsContact O-CB 3.27Å; S198-L202 WeakPolarHBondContact O-CB 3.32Å; S198-L202 WeakPolarHBondContact O-CG 3.45Å; S198-L202 PolarHBondContact O-N 3.42Å; S198-L202 WeakPolarHBondContact OG-CD1 3.43Å |
| 199 | L | 97 | Very high | 96.9 | Very high | 51 Ų | 51 | 34.7 Ų | 34.7 | 27% | 0.267 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -57.7 | -42.2 | 177.4 | -175.6 | 69.1 | 0 | 0 | 0 | 111.9 | I95 N98 V99 I102 A195 A196 P203 | I95-L199 HydrophobicContact CG2-CD1 3.79Å; I95-L199 WeakPolarHBondContact O-CD1 3.4Å; N98-L199 HydrophobicContact CB-CB 4.36Å; N98-L199 HydrophobicContact CB-CD1 4.39Å; V99-L199 HydrophobicContact CG2-CD1 3.7Å; V99-L199 HydrophobicContact CG2-CD2 4.22Å; I102-L199 HydrophobicContact CD1-CD2 3.95Å; A195-L199 WeakPolarHBondContact O-CB 3.48Å; A195-L199 PolarHBondContact O-N 2.84Å; A196-L199 WeakPolarHBondContact O-CB 3.5Å; A196-L199 PolarHBondContact O-N 2.94Å; L199-P203 VanDerWaalsContact O-CD 3.22Å; L199-P203 WeakPolarHBondContact O-CD 3.26Å |
| 200 | V | 97.4 | Very high | 96.7 | Very high | 99 Ų | 99 | 34.4 Ų | 34.4 | 60% | 0.6 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -75.5 | -34 | 178.7 | 177.4 | 0 | 0 | 0 | 0 | 111.9 | A196 I197 S198 P203 F204 | A196-V200 PolarHBondContact O-N 2.7Å; I197-V200 PolarHBondContact O-N 3.1Å; S198-V200 VanDerWaalsContact C-N 3.3Å; S198-V200 PolarHBondContact O-N 3.16Å; V200-P203 WeakPolarHBondContact O-CD 3.32Å; V200-F204 WeakPolarHBondContact O-CD2 3.34Å; V200-F204 WeakPolarHBondContact O-CE2 3.46Å |
| 201 | T | 97.4 | Very high | 96.4 | Very high | 34 Ų | 34 | 31.7 Ų | 31.7 | 21% | 0.209 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -91.6 | -35.3 | -169.3 | -54.3 | 0 | 0 | 0 | 0 | 113.7 | L15 I19 I197 S198 F204 | L15-T201 HydrophobicContact CD1-CG2 3.96Å; I19-T201 HydrophobicContact CB-CG2 4.29Å; I19-T201 HydrophobicContact CD1-CG2 3.83Å; I19-T201 HydrophobicContact CG1-CG2 3.77Å; I197-T201 VanDerWaalsContact O-CB 3.32Å; I197-T201 WeakPolarHBondContact O-CB 3.32Å; I197-T201 PolarHBondContact O-N 2.76Å; I197-T201 VanDerWaalsContact O-N 3.08Å; I197-T201 PolarHBondContact O-OG1 3.49Å; S198-T201 PolarHBondContact O-N 3.07Å; T201-F204 WeakPolarHBondContact O-CB 3.42Å; T201-F204 WeakPolarHBondContact O-CD2 3.45Å; T201-F204 PolarHBondContact O-N 3.3Å; T201-F204 VanDerWaalsContact O-N 3.08Å |
| 202 | L | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -55.7 | -37.2 | -179.9 | -83.7 | 171.8 | 0 | 0 | 0 | 114.5 | I19 R91 L94 I95 N98 Y141 S198 F204 C205 | I19-L202 HydrophobicContact CG1-CG 4.41Å; I19-L202 HydrophobicContact CG2-CD2 3.71Å; I19-L202 HydrophobicContact CG2-CG 4.27Å; R91-L202 VanDerWaalsContact CD-O 3.29Å; R91-L202 WeakPolarHBondContact CD-O 3.41Å; R91-L202 HydrophobicContact CG-CB 4.42Å; R91-L202 HydrophobicContact CG-CD2 4.48Å; L94-L202 HydrophobicContact CB-CD1 3.69Å; I95-L202 HydrophobicContact CD1-CB 3.99Å; I95-L202 HydrophobicContact CG1-CB 3.61Å; I95-L202 HydrophobicContact CG1-CD1 3.98Å; I95-L202 HydrophobicContact CG1-CG 4.47Å; N98-L202 WeakPolarHBondContact ND2-CD1 3.43Å; Y141-L202 HydrophobicContact CE1-CD2 4.1Å; S198-L202 VanDerWaalsContact O-CB 3.27Å; S198-L202 WeakPolarHBondContact O-CB 3.32Å; S198-L202 WeakPolarHBondContact O-CG 3.45Å; S198-L202 PolarHBondContact O-N 3.42Å; S198-L202 WeakPolarHBondContact OG-CD1 3.43Å; L202-F204 PolarHBondContact O-N 2.95Å; L202-F204 VanDerWaalsContact O-N 3.09Å; L202-C205 WeakPolarHBondContact O-CB 3.28Å; L202-C205 PolarHBondContact O-N 3.28Å |
| 203 | P | 97.3 | Very high | 96.3 | Very high | 68 Ų | 68 | 32.5 Ų | 32.5 | 44% | 0.442 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -55.4 | -26.9 | 175.8 | -28.2 | 35.2 | 0 | 0 | 0 | 114.3 | I95 L199 V200 C205 | I95-P203 HydrophobicContact CD1-CG 3.9Å; L199-P203 VanDerWaalsContact O-CD 3.22Å; L199-P203 WeakPolarHBondContact O-CD 3.26Å; V200-P203 WeakPolarHBondContact O-CD 3.32Å; P203-C205 VanDerWaalsContact C-N 3.31Å |
| 204 | F | 96.6 | Very high | 95.8 | Very high | 134 Ų | 134 | 30.2 Ų | 30.2 | 59% | 0.588 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | -82.2 | -7.3 | 176.9 | -55 | -69.5 | 0 | 0 | 0 | 113.4 | K12 V200 T201 L202 | K12-F204 PolarHBondContact NZ-O 2.58Å; V200-F204 WeakPolarHBondContact O-CD2 3.34Å; V200-F204 WeakPolarHBondContact O-CE2 3.46Å; T201-F204 WeakPolarHBondContact O-CB 3.42Å; T201-F204 WeakPolarHBondContact O-CD2 3.45Å; T201-F204 PolarHBondContact O-N 3.3Å; T201-F204 VanDerWaalsContact O-N 3.08Å; L202-F204 PolarHBondContact O-N 2.95Å; L202-F204 VanDerWaalsContact O-N 3.09Å |
| 205 | C | 97.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.02 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -89.3 | 146.7 | 178.1 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | T16 R91 L202 P203 | T16-C205 HydrophobicContact CG2-CB 4.25Å; R91-C205 WeakPolarHBondContact CD-O 3.26Å; R91-C205 PolarHBondContact NH1-O 3.24Å; R91-C205 VanDerWaalsContact NH1-O 3.11Å; L202-C205 WeakPolarHBondContact O-CB 3.28Å; L202-C205 PolarHBondContact O-N 3.28Å; P203-C205 VanDerWaalsContact C-N 3.31Å |
| 206 | P | 96.9 | Very high | 95 | Very high | 7 Ų | 7 | 37.1 Ų | 37.1 | 5% | 0.045 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -65.5 | 143.4 | 173.2 | 28 | -34.1 | 0 | 0 | 0 | 110.5 | Y141 A225 L229 | Y141-P206 PolarHBondContact OH-O 3.08Å; P206-A225 HydrophobicContact CB-CB 3.99Å; P206-L229 HydrophobicContact CB-CD1 4.44Å; P206-L229 HydrophobicContact CG-CD1 3.93Å; P206-L229 HydrophobicContact CG-CD2 3.62Å; P206-L229 HydrophobicContact CG-CG 3.73Å |
| 207 | E | 97.3 | Very high | 94.7 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 3% | 0.028 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 159.3 | 166.9 | -177.9 | 58.6 | -86.3 | 0 | 0 | 109.8 | R90 R91 N92 P209 F211 L212 | R90-E207 WeakPolarHBondContact CB-OE1 3.36Å; R90-E207 PolarHBondContact N-OE1 2.79Å; R90-E207 PolarHBondContact N-OE2 3.32Å; R90-E207 VanDerWaalsContact N-OE2 3.16Å; R91-E207 HydrophobicContact CB-CB 4.5Å; R91-E207 WeakPolarHBondContact CB-OE2 3.29Å; R91-E207 PolarHBondContact N-OE1 2.75Å; R91-E207 PolarHBondContact N-OE2 3.46Å; R91-E207 VanDerWaalsContact N-OE2 3.09Å; N92-E207 PolarHBondContact N-OE2 3.41Å; E207-P209 WeakPolarHBondContact O-CD 3.2Å; E207-F211 HydrophobicContact CG-CD1 3.63Å; E207-F211 HydrophobicContact CG-CE1 4.16Å; E207-L212 HydrophobicContact CB-CD1 4.09Å; E207-L212 HydrophobicContact CB-CD2 4.27Å; E207-L212 HydrophobicContact CB-CG 4.17Å; E207-L212 HydrophobicContact CG-CD2 4.16Å; E207-L212 HydrophobicContact CG-CG 4.08Å |
| 208 | S | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -50.6 | 120.3 | 175.9 | 159.4 | 0 | 0 | 0 | 0 | 111.4 | E144 R210 F211 L212 | E144-S208 WeakPolarHBondContact CB-OG 3.5Å; E144-S208 WeakPolarHBondContact OE2-CB 3.35Å; E144-S208 PolarHBondContact OE2-OG 3.2Å; S208-R210 PolarHBondContact O-N 2.94Å; S208-R210 PolarHBondContact OG-N 2.9Å; S208-F211 PolarHBondContact O-N 3.37Å; S208-F211 VanDerWaalsContact O-N 3.15Å; S208-F211 PolarHBondContact OG-N 3.45Å; S208-L212 WeakPolarHBondContact O-CG 3.45Å; S208-L212 PolarHBondContact O-N 2.8Å |
| 209 | P | 95.2 | Very high | 94.5 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.013 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.6 | -39.1 | 177 | -24.7 | 33.4 | 0 | 0 | 0 | 111.9 | E207 L212 Y213 A222 A225 F226 L229 F238 | E207-P209 WeakPolarHBondContact O-CD 3.2Å; P209-L212 PolarHBondContact O-N 3.38Å; P209-Y213 PolarHBondContact O-N 3.44Å; P209-A222 WeakPolarHBondContact O-CB 3.5Å; P209-A225 HydrophobicContact CB-CB 4.38Å; P209-A225 HydrophobicContact CG-CB 3.94Å; P209-F226 HydrophobicContact CB-CB 4.12Å; P209-F226 HydrophobicContact CG-CB 4.18Å; P209-L229 HydrophobicContact CG-CD1 3.81Å; P209-F238 HydrophobicContact CB-CE1 3.86Å; P209-F238 HydrophobicContact CB-CZ 4.05Å |
| 210 | R | 91.7 | Very high | 94.5 | Very high | 14 Ų | 14 | 46.5 Ų | 46.5 | 5% | 0.053 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.2 | -41.2 | 179.2 | -164.7 | 170.4 | -171.4 | -169.5 | 6.6 | 111.7 | S208 M214 L242 E245 Q402 F465 | S208-R210 PolarHBondContact O-N 2.94Å; S208-R210 PolarHBondContact OG-N 2.9Å; R210-M214 HydrophobicContact CG-CG 3.84Å; R210-M214 WeakPolarHBondContact O-CB 3.34Å; R210-M214 WeakPolarHBondContact O-CG 3.31Å; R210-M214 PolarHBondContact O-N 3Å; R210-L242 HydrophobicContact CG-CD1 4.33Å; R210-L242 HydrophobicContact CG-CD2 3.78Å; R210-E245 IonicContact CZ-OE2 3.77Å; R210-E245 IonicContact NE-OE2 3.67Å; R210-E245 PolarHBondContact NE-OE2 3.31Å; R210-E245 IonicContact NH2-OE1 3.86Å; R210-E245 PolarHBondContact NH2-OE1 3.43Å; R210-E245 IonicContact NH2-OE2 2.93Å; R210-E245 PolarHBondContact NH2-OE2 2.92Å; R210-Q402 HydrophobicContact CG-CG 4.4Å; R210-F465 VanDerWaalsContact NH1-CZ 3.34Å |
| 211 | F | 92.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.013 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.7 | -46.9 | 174.1 | 170.5 | -103.8 | 0 | 0 | 0 | 112.2 | A85 D86 R90 E207 S208 Y213 K215 K216 | A85-F211 WeakPolarHBondContact O-CE2 3.37Å; D86-F211 WeakPolarHBondContact O-CE2 3.25Å; R90-F211 VanDerWaalsContact NH1-CD2 3.27Å; E207-F211 HydrophobicContact CG-CD1 3.63Å; E207-F211 HydrophobicContact CG-CE1 4.16Å; S208-F211 PolarHBondContact O-N 3.37Å; S208-F211 VanDerWaalsContact O-N 3.15Å; S208-F211 PolarHBondContact OG-N 3.45Å; F211-Y213 VanDerWaalsContact C-N 3.28Å; F211-Y213 PolarHBondContact O-N 3.48Å; F211-K215 HydrophobicContact CD2-CB 3.75Å; F211-K215 HydrophobicContact CD2-CG 3.99Å; F211-K215 HydrophobicContact CE2-CB 3.77Å; F211-K215 HydrophobicContact CE2-CG 4.26Å; F211-K215 WeakPolarHBondContact O-CB 3.31Å; F211-K215 PolarHBondContact O-N 3.13Å; F211-K216 HydrophobicContact CD1-CG 4.38Å; F211-K216 HydrophobicContact CE1-CD 4.45Å; F211-K216 HydrophobicContact CE1-CG 3.73Å; F211-K216 HydrophobicContact CZ-CD 4.25Å; F211-K216 HydrophobicContact CZ-CG 3.87Å; F211-K216 PolarHBondContact O-N 3.37Å |
| 212 | L | 95.5 | Very high | 94.4 | Very high | 14 Ų | 14 | 44.4 Ų | 44.4 | 7% | 0.073 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.1 | -41.7 | 179.6 | -71.5 | 169 | 0 | 0 | 0 | 111.8 | E207 S208 P209 K216 H217 K218 E221 A222 A225 | E207-L212 HydrophobicContact CB-CD1 4.09Å; E207-L212 HydrophobicContact CB-CD2 4.27Å; E207-L212 HydrophobicContact CB-CG 4.17Å; E207-L212 HydrophobicContact CG-CD2 4.16Å; E207-L212 HydrophobicContact CG-CG 4.08Å; S208-L212 WeakPolarHBondContact O-CG 3.45Å; S208-L212 PolarHBondContact O-N 2.8Å; P209-L212 PolarHBondContact O-N 3.38Å; L212-K216 CarbonylContact O-C 3.47Å; L212-K216 WeakPolarHBondContact O-CB 3.31Å; L212-H217 PolarHBondContact O-N 3.4Å; L212-K218 PolarHBondContact O-N 3.06Å; L212-E221 HydrophobicContact CD1-CB 4.17Å; L212-E221 HydrophobicContact CD2-CB 4.32Å; L212-A222 HydrophobicContact CB-CB 3.93Å; L212-A225 HydrophobicContact CD1-CB 3.77Å |
| 213 | Y | 93.8 | Very high | 94.4 | Very high | 20 Ų | 20 | 47.3 Ų | 47.3 | 8% | 0.078 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -74.9 | -57.5 | 177.8 | -165.9 | -95.7 | 0 | 0 | 0 | 112.3 | P209 F211 H217 E219 A222 I239 L242 I246 | P209-Y213 PolarHBondContact O-N 3.44Å; F211-Y213 VanDerWaalsContact C-N 3.28Å; F211-Y213 PolarHBondContact O-N 3.48Å; Y213-H217 VanDerWaalsContact O-CA 3.29Å; Y213-H217 WeakPolarHBondContact O-CA 3.37Å; Y213-H217 PolarHBondContact O-N 2.91Å; Y213-E219 HydrophobicContact CD2-CB 4.1Å; Y213-E219 HydrophobicContact CD2-CG 4.18Å; Y213-E219 HydrophobicContact CE2-CB 3.86Å; Y213-E219 HydrophobicContact CE2-CG 3.77Å; Y213-A222 HydrophobicContact CD2-CB 4.28Å; Y213-I239 HydrophobicContact CD2-CD1 3.75Å; Y213-I239 HydrophobicContact CE2-CD1 4.06Å; Y213-I239 HydrophobicContact CE2-CG2 3.81Å; Y213-I239 HydrophobicContact CG-CD1 4.41Å; Y213-L242 HydrophobicContact CD1-CB 3.5Å; Y213-L242 HydrophobicContact CD1-CD1 3.9Å; Y213-L242 HydrophobicContact CD1-CG 4.37Å; Y213-L242 HydrophobicContact CE1-CB 3.67Å; Y213-L242 HydrophobicContact CG-CB 4.29Å; Y213-L242 HydrophobicContact CG-CD1 3.95Å; Y213-I246 HydrophobicContact CD1-CD1 3.65Å; Y213-I246 HydrophobicContact CE1-CD1 3.43Å; Y213-I246 VanDerWaalsContact CE1-CD1 3.43Å; Y213-I246 HydrophobicContact CE1-CG1 4.32Å |
| 214 | M | 86.3 | Confident | 94.4 | Very high | 25 Ų | 25 | 50.6 Ų | 50.6 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73.6 | -36.1 | -167.5 | -61.1 | -65.6 | -69 | 0 | 0 | 113.7 | R210 L242 E245 I246 Q402 | R210-M214 HydrophobicContact CG-CG 3.84Å; R210-M214 WeakPolarHBondContact O-CB 3.34Å; R210-M214 WeakPolarHBondContact O-CG 3.31Å; R210-M214 PolarHBondContact O-N 3Å; M214-L242 HydrophobicContact CG-CD2 4.4Å; M214-L242 HydrophobicContact SD-CB 4.03Å; M214-L242 HydrophobicContact SD-CD2 4.17Å; M214-E245 HydrophobicContact CE-CB 3.98Å; M214-E245 HydrophobicContact CE-CG 3.72Å; M214-I246 HydrophobicContact CE-CD1 4.44Å; M214-I246 HydrophobicContact CE-CG1 3.52Å; M214-I246 HydrophobicContact SD-CD1 3.75Å; M214-I246 HydrophobicContact SD-CG1 3.38Å; M214-I246 WeakPolarHBondContact SD-CG1 3.27Å; M214-Q402 HydrophobicContact CB-CG 4.18Å; M214-Q402 HydrophobicContact CE-CB 4.29Å; M214-Q402 HydrophobicContact CG-CG 4.17Å |
| 215 | K | 87.1 | Confident | 94.3 | Very high | 70 Ų | 70 | 44.5 Ų | 44.5 | 30% | 0.304 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -34.1 | -173.2 | -67.4 | -78.9 | 178.9 | 164.1 | 0 | 113 | D86 F211 | D86-K215 WeakPolarHBondContact OD1-CE 3.15Å; D86-K215 IonicContact OD1-NZ 3.47Å; D86-K215 IonicContact OD2-NZ 2.69Å; D86-K215 PolarHBondContact OD2-NZ 3.19Å; F211-K215 HydrophobicContact CD2-CB 3.75Å; F211-K215 HydrophobicContact CD2-CG 3.99Å; F211-K215 HydrophobicContact CE2-CB 3.77Å; F211-K215 HydrophobicContact CE2-CG 4.26Å; F211-K215 WeakPolarHBondContact O-CB 3.31Å; F211-K215 PolarHBondContact O-N 3.13Å |
| 216 | K | 90.4 | Very high | 94.3 | Very high | 96 Ų | 96 | 44.9 Ų | 44.9 | 42% | 0.417 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -9.9 | 178.9 | -63.3 | -68.6 | 179 | -173.1 | 0 | 113.5 | G87 F211 L212 K218 | G87-K216 PolarHBondContact O-NZ 3.02Å; F211-K216 HydrophobicContact CD1-CG 4.38Å; F211-K216 HydrophobicContact CE1-CD 4.45Å; F211-K216 HydrophobicContact CE1-CG 3.73Å; F211-K216 HydrophobicContact CZ-CD 4.25Å; F211-K216 HydrophobicContact CZ-CG 3.87Å; F211-K216 PolarHBondContact O-N 3.37Å; L212-K216 CarbonylContact O-C 3.47Å; L212-K216 WeakPolarHBondContact O-CB 3.31Å; K216-K218 HydrophobicContact CB-CD 4.38Å; K216-K218 HydrophobicContact CB-CG 4Å; K216-K218 WeakPolarHBondContact O-CG 3.21Å; K216-K218 PolarHBondContact O-N 3.28Å |
| 217 | H | 90.7 | Very high | 94.2 | Very high | 147 Ų | 147 | 49.6 Ų | 49.6 | 68% | 0.681 | 24% | 0.24 | S | C | * | . | trans | 56.1 | 33.1 | -177.9 | -54.5 | -60.2 | 0 | 0 | 0 | 113.6 | L212 Y213 | L212-H217 PolarHBondContact O-N 3.4Å; Y213-H217 VanDerWaalsContact O-CA 3.29Å; Y213-H217 WeakPolarHBondContact O-CA 3.37Å; Y213-H217 PolarHBondContact O-N 2.91Å | ||
| 218 | K | 94.7 | Very high | 94.1 | Very high | 93 Ų | 93 | 52.3 Ų | 52.3 | 40% | 0.404 | 25% | 0.252 | S | S | . | . | trans | -107.9 | 82.4 | -177.4 | -62.6 | -165.7 | 179.6 | -174 | 0 | 111.5 | L212 K216 A220 E221 A222 | L212-K218 PolarHBondContact O-N 3.06Å; K216-K218 HydrophobicContact CB-CD 4.38Å; K216-K218 HydrophobicContact CB-CG 4Å; K216-K218 WeakPolarHBondContact O-CG 3.21Å; K216-K218 PolarHBondContact O-N 3.28Å; K218-A220 PolarHBondContact O-N 2.66Å; K218-E221 HydrophobicContact CB-CB 4.09Å; K218-E221 HydrophobicContact CB-CG 4.38Å; K218-E221 HydrophobicContact CD-CG 4.22Å; K218-E221 WeakPolarHBondContact CD-OE1 3.34Å; K218-E221 WeakPolarHBondContact CD-OE2 3.31Å; K218-E221 IonicContact NZ-OE1 2.97Å; K218-E221 PolarHBondContact NZ-OE1 3.36Å; K218-E221 IonicContact NZ-OE2 3.36Å; K218-E221 PolarHBondContact NZ-OE2 2.84Å; K218-E221 PolarHBondContact O-N 3.19Å; K218-A222 WeakPolarHBondContact O-CB 3.44Å; K218-A222 PolarHBondContact O-N 3.42Å | ||
| 219 | E | 95.6 | Very high | 94 | Very high | 62 Ų | 62 | 52.4 Ų | 52.4 | 29% | 0.29 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.6 | -45.7 | -176.6 | -177.7 | 168 | 156.4 | 0 | 0 | 113.2 | Y213 E221 A222 R223 I239 R243 | Y213-E219 HydrophobicContact CD2-CB 4.1Å; Y213-E219 HydrophobicContact CD2-CG 4.18Å; Y213-E219 HydrophobicContact CE2-CB 3.86Å; Y213-E219 HydrophobicContact CE2-CG 3.77Å; E219-E221 PolarHBondContact O-N 2.96Å; E219-A222 PolarHBondContact O-N 2.97Å; E219-R223 HydrophobicContact CG-CG 4.3Å; E219-R223 WeakPolarHBondContact O-CG 3.36Å; E219-R223 PolarHBondContact O-N 2.86Å; E219-R223 IonicContact OE1-CZ 3.16Å; E219-R223 IonicContact OE1-NE 2.76Å; E219-R223 PolarHBondContact OE1-NE 2.81Å; E219-R223 IonicContact OE1-NH2 3.44Å; E219-R223 PolarHBondContact OE1-NH2 2.91Å; E219-I239 HydrophobicContact CG-CG2 4.39Å; E219-R243 IonicContact OE1-NH2 2.74Å; E219-R243 IonicContact OE2-NH2 3.95Å; E219-R243 PolarHBondContact OE2-NH2 3.23Å |
| 220 | A | 96.9 | Very high | 93.7 | Very high | 79 Ų | 79 | 52.7 Ų | 52.7 | 65% | 0.653 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -61.9 | -41 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | K218 K224 | K218-A220 PolarHBondContact O-N 2.66Å; A220-K224 WeakPolarHBondContact O-CB 3.34Å; A220-K224 PolarHBondContact O-N 2.86Å |
| 221 | E | 96.9 | Very high | 93.4 | Very high | 89 Ų | 89 | 56.1 Ų | 56.1 | 42% | 0.416 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.4 | -40 | 176.1 | -68.3 | -177.5 | -151.7 | 0 | 0 | 111.3 | L212 K218 E219 K224 A225 | L212-E221 HydrophobicContact CD1-CB 4.17Å; L212-E221 HydrophobicContact CD2-CB 4.32Å; K218-E221 HydrophobicContact CB-CB 4.09Å; K218-E221 HydrophobicContact CB-CG 4.38Å; K218-E221 HydrophobicContact CD-CG 4.22Å; K218-E221 WeakPolarHBondContact CD-OE1 3.34Å; K218-E221 WeakPolarHBondContact CD-OE2 3.31Å; K218-E221 IonicContact NZ-OE1 2.97Å; K218-E221 PolarHBondContact NZ-OE1 3.36Å; K218-E221 IonicContact NZ-OE2 3.36Å; K218-E221 PolarHBondContact NZ-OE2 2.84Å; K218-E221 PolarHBondContact O-N 3.19Å; E219-E221 PolarHBondContact O-N 2.96Å; E221-K224 PolarHBondContact O-N 3.3Å; E221-A225 WeakPolarHBondContact O-CB 3.34Å; E221-A225 PolarHBondContact O-N 3.44Å |
| 222 | A | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | P209 L212 Y213 K218 E219 K224 A225 F226 I239 | P209-A222 WeakPolarHBondContact O-CB 3.5Å; L212-A222 HydrophobicContact CB-CB 3.93Å; Y213-A222 HydrophobicContact CD2-CB 4.28Å; K218-A222 WeakPolarHBondContact O-CB 3.44Å; K218-A222 PolarHBondContact O-N 3.42Å; E219-A222 PolarHBondContact O-N 2.97Å; A222-K224 PolarHBondContact O-N 3.47Å; A222-A225 PolarHBondContact O-N 3.35Å; A222-F226 WeakPolarHBondContact O-CB 3.45Å; A222-F226 PolarHBondContact O-N 2.91Å; A222-I239 HydrophobicContact CB-CD1 4.31Å |
| 223 | R | 97 | Very high | 92.5 | Very high | 61 Ų | 61 | 63 Ų | 63 | 23% | 0.23 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.1 | -46.9 | 174.9 | -72.2 | 174.3 | 170.5 | -85.6 | 1.1 | 111.4 | E219 A225 F226 L227 V235 D236 I239 | E219-R223 HydrophobicContact CG-CG 4.3Å; E219-R223 WeakPolarHBondContact O-CG 3.36Å; E219-R223 PolarHBondContact O-N 2.86Å; E219-R223 IonicContact OE1-CZ 3.16Å; E219-R223 IonicContact OE1-NE 2.76Å; E219-R223 PolarHBondContact OE1-NE 2.81Å; E219-R223 IonicContact OE1-NH2 3.44Å; E219-R223 PolarHBondContact OE1-NH2 2.91Å; R223-A225 PolarHBondContact O-N 3.45Å; R223-F226 PolarHBondContact O-N 3.34Å; R223-L227 VanDerWaalsContact O-CG 3.31Å; R223-L227 WeakPolarHBondContact O-CG 3.5Å; R223-L227 PolarHBondContact O-N 3.18Å; R223-V235 HydrophobicContact CB-CG2 4.02Å; R223-V235 HydrophobicContact CG-CG2 3.88Å; R223-D236 IonicContact CZ-OD1 2.69Å; R223-D236 VanDerWaalsContact CZ-OD1 3.27Å; R223-D236 IonicContact NH1-OD1 3.05Å; R223-D236 PolarHBondContact NH1-OD1 3.35Å; R223-D236 IonicContact NH2-OD1 3.13Å; R223-D236 PolarHBondContact NH2-OD1 3.47Å; R223-I239 HydrophobicContact CG-CD1 4.03Å; R223-I239 HydrophobicContact CG-CG1 3.85Å |
| 224 | K | 96.7 | Very high | 92.3 | Very high | 138 Ų | 138 | 66.4 Ų | 66.4 | 60% | 0.6 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -61 | -44.9 | 177.2 | -177.9 | 179.9 | 178.8 | 179.5 | 0 | 112.1 | A220 E221 A222 Q228 | A220-K224 WeakPolarHBondContact O-CB 3.34Å; A220-K224 PolarHBondContact O-N 2.86Å; E221-K224 PolarHBondContact O-N 3.3Å; A222-K224 PolarHBondContact O-N 3.47Å; K224-Q228 WeakPolarHBondContact O-CG 3.33Å; K224-Q228 PolarHBondContact O-N 3.46Å |
| 225 | A | 96.6 | Very high | 92.6 | Very high | 6 Ų | 6 | 66.1 Ų | 66.1 | 5% | 0.05 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | P206 P209 L212 E221 A222 R223 Q228 L229 | P206-A225 HydrophobicContact CB-CB 3.99Å; P209-A225 HydrophobicContact CB-CB 4.38Å; P209-A225 HydrophobicContact CG-CB 3.94Å; L212-A225 HydrophobicContact CD1-CB 3.77Å; E221-A225 WeakPolarHBondContact O-CB 3.34Å; E221-A225 PolarHBondContact O-N 3.44Å; A222-A225 PolarHBondContact O-N 3.35Å; R223-A225 PolarHBondContact O-N 3.45Å; A225-Q228 WeakPolarHBondContact O-CB 3.36Å; A225-Q228 PolarHBondContact O-N 2.92Å; A225-L229 WeakPolarHBondContact O-CD1 3.21Å; A225-L229 WeakPolarHBondContact O-CG 3.35Å; A225-L229 PolarHBondContact O-N 3.3Å |
| 226 | F | 95.6 | Very high | 93 | Very high | 11 Ų | 11 | 67 Ų | 67 | 5% | 0.048 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 177.5 | -175.8 | -91.7 | 0 | 0 | 0 | 111.9 | P209 A222 R223 Q228 L229 N230 E233 V235 F238 | P209-F226 HydrophobicContact CB-CB 4.12Å; P209-F226 HydrophobicContact CG-CB 4.18Å; A222-F226 WeakPolarHBondContact O-CB 3.45Å; A222-F226 PolarHBondContact O-N 2.91Å; R223-F226 PolarHBondContact O-N 3.34Å; F226-Q228 PolarHBondContact O-N 2.91Å; F226-L229 PolarHBondContact O-N 3.26Å; F226-N230 HydrophobicContact CD1-CB 4.44Å; F226-N230 HydrophobicContact CE1-CB 4.05Å; F226-N230 HydrophobicContact CE2-CB 4.3Å; F226-N230 HydrophobicContact CZ-CB 4Å; F226-N230 PolarHBondContact O-N 2.97Å; F226-E233 HydrophobicContact CE1-CB 4.24Å; F226-E233 HydrophobicContact CZ-CB 3.66Å; F226-V235 HydrophobicContact CB-CG2 4.27Å; F226-V235 HydrophobicContact CD1-CB 3.72Å; F226-V235 HydrophobicContact CD1-CG2 3.71Å; F226-V235 HydrophobicContact CE1-CB 4Å; F226-V235 HydrophobicContact CE1-CG2 4.41Å; F226-V235 HydrophobicContact CG-CG2 4.23Å; F226-F238 HydrophobicContact CB-CD1 4.49Å; F226-F238 HydrophobicContact CD2-CB 4.24Å; F226-F238 AromaticContact CD2-CD1 3.44Å; F226-F238 HydrophobicContact CD2-CD1 3.44Å; F226-F238 VanDerWaalsContact CD2-CD1 3.44Å; F226-F238 HydrophobicContact CD2-CD2 4.02Å; F226-F238 AromaticContact CD2-CE1 3.66Å; F226-F238 HydrophobicContact CD2-CE1 3.66Å; F226-F238 HydrophobicContact CD2-CE2 4.21Å; F226-F238 AromaticContact CD2-CG 3.62Å; F226-F238 HydrophobicContact CD2-CG 3.62Å; F226-F238 HydrophobicContact CD2-CZ 4.03Å; F226-F238 HydrophobicContact CE1-CB 4.35Å; F226-F238 HydrophobicContact CE2-CB 3.68Å; F226-F238 AromaticContact CE2-CD1 3.71Å; F226-F238 HydrophobicContact CE2-CD1 3.71Å; F226-F238 AromaticContact CE2-CD2 3.55Å; F226-F238 HydrophobicContact CE2-CD2 3.55Å; F226-F238 HydrophobicContact CE2-CE1 4.2Å; F226-F238 HydrophobicContact CE2-CE2 4.06Å; F226-F238 AromaticContact CE2-CG 3.34Å; F226-F238 HydrophobicContact CE2-CG 3.34Å; F226-F238 HydrophobicContact CE2-CZ 4.35Å; F226-F238 AromaticContact CG-CD1 3.99Å; F226-F238 HydrophobicContact CG-CD1 3.99Å; F226-F238 HydrophobicContact CG-CE1 4.36Å; F226-F238 HydrophobicContact CG-CG 4.41Å; F226-F238 HydrophobicContact CZ-CB 3.71Å; F226-F238 HydrophobicContact CZ-CD1 4.45Å; F226-F238 HydrophobicContact CZ-CD2 4.37Å; F226-F238 AromaticContact CZ-CG 3.94Å; F226-F238 HydrophobicContact CZ-CG 3.94Å |
| 227 | L | 95 | Very high | 93 | Very high | 106 Ų | 106 | 66 Ų | 66 | 56% | 0.555 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.1 | -23 | 178.8 | -69.2 | 171 | 0 | 0 | 0 | 113.5 | R223 V235 | R223-L227 VanDerWaalsContact O-CG 3.31Å; R223-L227 WeakPolarHBondContact O-CG 3.5Å; R223-L227 PolarHBondContact O-N 3.18Å; L227-V235 HydrophobicContact CD2-CB 4.09Å; L227-V235 HydrophobicContact CD2-CG1 4.2Å; L227-V235 HydrophobicContact CG-CB 4.4Å; L227-V235 HydrophobicContact CG-CG2 4.41Å |
| 228 | Q | 94.8 | Very high | 93 | Very high | 62 Ų | 62 | 60.4 Ų | 60.4 | 29% | 0.29 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -76.2 | -25.1 | 171.9 | -73.2 | 178.8 | 6.1 | 0 | 0 | 112.6 | T10 K12 K224 A225 F226 | T10-Q228 VanDerWaalsContact CB-O 3.29Å; T10-Q228 WeakPolarHBondContact CB-O 3.28Å; T10-Q228 WeakPolarHBondContact CG2-O 3.43Å; T10-Q228 PolarHBondContact OG1-O 2.71Å; K12-Q228 HydrophobicContact CB-CB 4.36Å; K12-Q228 WeakPolarHBondContact CB-O 3.42Å; K12-Q228 HydrophobicContact CG-CB 4.4Å; K224-Q228 WeakPolarHBondContact O-CG 3.33Å; K224-Q228 PolarHBondContact O-N 3.46Å; A225-Q228 WeakPolarHBondContact O-CB 3.36Å; A225-Q228 PolarHBondContact O-N 2.92Å; F226-Q228 PolarHBondContact O-N 2.91Å |
| 229 | L | 93.9 | Very high | 93 | Very high | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.016 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -101.9 | -31.5 | -172.3 | -68 | 167.5 | 0 | 0 | 0 | 112.8 | L13 V145 P206 P209 A225 F226 | L13-L229 HydrophobicContact CB-CD2 4.16Å; L13-L229 HydrophobicContact CD1-CD2 3.98Å; V145-L229 HydrophobicContact CB-CD1 3.75Å; V145-L229 HydrophobicContact CB-CD2 4.11Å; V145-L229 HydrophobicContact CG1-CD1 3.88Å; P206-L229 HydrophobicContact CB-CD1 4.44Å; P206-L229 HydrophobicContact CG-CD1 3.93Å; P206-L229 HydrophobicContact CG-CD2 3.62Å; P206-L229 HydrophobicContact CG-CG 3.73Å; P209-L229 HydrophobicContact CG-CD1 3.81Å; A225-L229 WeakPolarHBondContact O-CD1 3.21Å; A225-L229 WeakPolarHBondContact O-CG 3.35Å; A225-L229 PolarHBondContact O-N 3.3Å; F226-L229 PolarHBondContact O-N 3.26Å |
| 230 | N | 89.6 | Confident | 92.8 | Very high | 7 Ų | 7 | 54.3 Ų | 54.3 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -130.3 | 131.7 | -172.4 | -159.3 | -34.7 | 0 | 0 | 0 | 111.1 | F226 K232 E233 | F226-N230 HydrophobicContact CD1-CB 4.44Å; F226-N230 HydrophobicContact CE1-CB 4.05Å; F226-N230 HydrophobicContact CE2-CB 4.3Å; F226-N230 HydrophobicContact CZ-CB 4Å; F226-N230 PolarHBondContact O-N 2.97Å; N230-K232 PolarHBondContact OD1-N 3.16Å; N230-E233 WeakPolarHBondContact ND2-CG 3.48Å; N230-E233 PolarHBondContact ND2-OE1 3.17Å; N230-E233 PolarHBondContact OD1-N 3.08Å |
| 231 | V | 85.8 | Confident | 92.4 | Very high | 87 Ų | 87 | 53.4 Ų | 53.4 | 53% | 0.527 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -108.5 | -23.7 | 176.4 | -169.7 | 0 | 0 | 0 | 0 | 112 | T10 | T10-V231 HydrophobicContact CG2-CG2 3.34Š|
| 232 | K | 84.7 | Confident | 92 | Very high | 120 Ų | 120 | 49.5 Ų | 49.5 | 52% | 0.522 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -87.1 | -42 | -172.2 | -76.2 | 172.4 | 165.7 | 171.4 | 0 | 112.2 | N7 D149 N230 | N7-K232 WeakPolarHBondContact O-CE 3.11Å; N7-K232 PolarHBondContact O-NZ 3.47Å; D149-K232 IonicContact OD2-NZ 3.52Å; N230-K232 PolarHBondContact OD1-N 3.16Å |
| 233 | E | 83.8 | Confident | 91.7 | Very high | 42 Ų | 42 | 55 Ų | 55 | 20% | 0.196 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -82 | 143.1 | -175.7 | -68.5 | 175.6 | -132.5 | 0 | 0 | 111.1 | P147 R148 F226 N230 V235 | P147-E233 WeakPolarHBondContact CA-OE1 3.46Å; R148-E233 PolarHBondContact N-OE1 3.24Å; R148-E233 IonicContact NE-OE2 2.7Å; R148-E233 PolarHBondContact NE-OE2 3.34Å; F226-E233 HydrophobicContact CE1-CB 4.24Å; F226-E233 HydrophobicContact CZ-CB 3.66Å; N230-E233 WeakPolarHBondContact ND2-CG 3.48Å; N230-E233 PolarHBondContact ND2-OE1 3.17Å; N230-E233 PolarHBondContact OD1-N 3.08Å; E233-V235 PolarHBondContact O-N 2.98Å |
| 234 | N | 89.8 | Confident | 91.2 | Very high | 91 Ų | 91 | 58 Ų | 58 | 49% | 0.487 | 29% | 0.291 | S | S | . | . | trans | -75 | 123.6 | 174.3 | -173.9 | -22.7 | 0 | 0 | 0 | 110 | D236 T237 F238 | N234-D236 VanDerWaalsContact C-N 3.26Å; N234-D236 PolarHBondContact O-N 3.28Å; N234-D236 WeakPolarHBondContact OD1-CB 3.22Å; N234-D236 PolarHBondContact OD1-N 2.99Å; N234-T237 PolarHBondContact O-N 2.96Å; N234-F238 PolarHBondContact O-N 3.25Å; N234-F238 VanDerWaalsContact O-N 3.11Å | ||
| 235 | V | 92.6 | Very high | 90.5 | Very high | 18 Ų | 18 | 51.9 Ų | 51.9 | 11% | 0.109 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.3 | -34.6 | 178 | 66.7 | 0 | 0 | 0 | 0 | 112.7 | R223 F226 L227 E233 F238 I239 | R223-V235 HydrophobicContact CB-CG2 4.02Å; R223-V235 HydrophobicContact CG-CG2 3.88Å; F226-V235 HydrophobicContact CB-CG2 4.27Å; F226-V235 HydrophobicContact CD1-CB 3.72Å; F226-V235 HydrophobicContact CD1-CG2 3.71Å; F226-V235 HydrophobicContact CE1-CB 4Å; F226-V235 HydrophobicContact CE1-CG2 4.41Å; F226-V235 HydrophobicContact CG-CG2 4.23Å; L227-V235 HydrophobicContact CD2-CB 4.09Å; L227-V235 HydrophobicContact CD2-CG1 4.2Å; L227-V235 HydrophobicContact CG-CB 4.4Å; L227-V235 HydrophobicContact CG-CG2 4.41Å; E233-V235 PolarHBondContact O-N 2.98Å; V235-F238 PolarHBondContact O-N 3.18Å; V235-I239 HydrophobicContact CG2-CG1 4.3Å; V235-I239 WeakPolarHBondContact O-CB 3.39Å; V235-I239 VanDerWaalsContact O-CG1 3.25Å; V235-I239 WeakPolarHBondContact O-CG1 3.42Å; V235-I239 PolarHBondContact O-N 3.18Å |
| 236 | D | 94.4 | Very high | 89.8 | Confident | 88 Ų | 88 | 52.7 Ų | 52.7 | 47% | 0.471 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -69.9 | -38.4 | 179.1 | -69.7 | -54.4 | 0 | 0 | 0 | 112 | R223 N234 I239 G240 | R223-D236 IonicContact CZ-OD1 2.69Å; R223-D236 VanDerWaalsContact CZ-OD1 3.27Å; R223-D236 IonicContact NH1-OD1 3.05Å; R223-D236 PolarHBondContact NH1-OD1 3.35Å; R223-D236 IonicContact NH2-OD1 3.13Å; R223-D236 PolarHBondContact NH2-OD1 3.47Å; N234-D236 VanDerWaalsContact C-N 3.26Å; N234-D236 PolarHBondContact O-N 3.28Å; N234-D236 WeakPolarHBondContact OD1-CB 3.22Å; N234-D236 PolarHBondContact OD1-N 2.99Å; D236-I239 PolarHBondContact O-N 3.01Å; D236-G240 PolarHBondContact O-N 3.5Å |
| 237 | T | 91.4 | Very high | 89.1 | Confident | 77 Ų | 77 | 57 Ų | 57 | 47% | 0.472 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 172.9 | -53 | 0 | 0 | 0 | 0 | 110.7 | N234 G240 E241 | N234-T237 PolarHBondContact O-N 2.96Å; T237-G240 PolarHBondContact O-N 3.18Å; T237-E241 PolarHBondContact O-N 3.36Å |
| 238 | F | 90.5 | Very high | 88.1 | Confident | 28 Ų | 28 | 55.2 Ų | 55.2 | 12% | 0.123 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 176.6 | 174.1 | -102 | 0 | 0 | 0 | 112.4 | P209 F226 N234 V235 G240 E241 L242 | P209-F238 HydrophobicContact CB-CE1 3.86Å; P209-F238 HydrophobicContact CB-CZ 4.05Å; F226-F238 HydrophobicContact CB-CD1 4.49Å; F226-F238 HydrophobicContact CD2-CB 4.24Å; F226-F238 AromaticContact CD2-CD1 3.44Å; F226-F238 HydrophobicContact CD2-CD1 3.44Å; F226-F238 VanDerWaalsContact CD2-CD1 3.44Å; F226-F238 HydrophobicContact CD2-CD2 4.02Å; F226-F238 AromaticContact CD2-CE1 3.66Å; F226-F238 HydrophobicContact CD2-CE1 3.66Å; F226-F238 HydrophobicContact CD2-CE2 4.21Å; F226-F238 AromaticContact CD2-CG 3.62Å; F226-F238 HydrophobicContact CD2-CG 3.62Å; F226-F238 HydrophobicContact CD2-CZ 4.03Å; F226-F238 HydrophobicContact CE1-CB 4.35Å; F226-F238 HydrophobicContact CE2-CB 3.68Å; F226-F238 AromaticContact CE2-CD1 3.71Å; F226-F238 HydrophobicContact CE2-CD1 3.71Å; F226-F238 AromaticContact CE2-CD2 3.55Å; F226-F238 HydrophobicContact CE2-CD2 3.55Å; F226-F238 HydrophobicContact CE2-CE1 4.2Å; F226-F238 HydrophobicContact CE2-CE2 4.06Å; F226-F238 AromaticContact CE2-CG 3.34Å; F226-F238 HydrophobicContact CE2-CG 3.34Å; F226-F238 HydrophobicContact CE2-CZ 4.35Å; F226-F238 AromaticContact CG-CD1 3.99Å; F226-F238 HydrophobicContact CG-CD1 3.99Å; F226-F238 HydrophobicContact CG-CE1 4.36Å; F226-F238 HydrophobicContact CG-CG 4.41Å; F226-F238 HydrophobicContact CZ-CB 3.71Å; F226-F238 HydrophobicContact CZ-CD1 4.45Å; F226-F238 HydrophobicContact CZ-CD2 4.37Å; F226-F238 AromaticContact CZ-CG 3.94Å; F226-F238 HydrophobicContact CZ-CG 3.94Å; N234-F238 PolarHBondContact O-N 3.25Å; N234-F238 VanDerWaalsContact O-N 3.11Å; V235-F238 PolarHBondContact O-N 3.18Å; F238-G240 VanDerWaalsContact C-N 3.33Å; F238-E241 PolarHBondContact O-N 2.92Å; F238-L242 HydrophobicContact CD1-CD1 4.22Å; F238-L242 HydrophobicContact CE1-CD1 3.52Å; F238-L242 HydrophobicContact CE1-CG 4.29Å; F238-L242 HydrophobicContact CE2-CD1 4.34Å; F238-L242 HydrophobicContact CE2-CG 4.46Å; F238-L242 HydrophobicContact CZ-CD1 3.6Å; F238-L242 HydrophobicContact CZ-CG 4.19Å; F238-L242 WeakPolarHBondContact O-CG 3.33Å; F238-L242 PolarHBondContact O-N 3.41Å; F238-L242 VanDerWaalsContact O-N 3.17Å |
| 239 | I | 94.2 | Very high | 87 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.3 | -36.7 | 177.8 | -66.7 | -66 | 0 | 0 | 0 | 111.4 | Y213 E219 A222 R223 V235 D236 L242 R243 | Y213-I239 HydrophobicContact CD2-CD1 3.75Å; Y213-I239 HydrophobicContact CE2-CD1 4.06Å; Y213-I239 HydrophobicContact CE2-CG2 3.81Å; Y213-I239 HydrophobicContact CG-CD1 4.41Å; E219-I239 HydrophobicContact CG-CG2 4.39Å; A222-I239 HydrophobicContact CB-CD1 4.31Å; R223-I239 HydrophobicContact CG-CD1 4.03Å; R223-I239 HydrophobicContact CG-CG1 3.85Å; V235-I239 HydrophobicContact CG2-CG1 4.3Å; V235-I239 WeakPolarHBondContact O-CB 3.39Å; V235-I239 VanDerWaalsContact O-CG1 3.25Å; V235-I239 WeakPolarHBondContact O-CG1 3.42Å; V235-I239 PolarHBondContact O-N 3.18Å; D236-I239 PolarHBondContact O-N 3.01Å; I239-L242 PolarHBondContact O-N 3.14Å; I239-R243 WeakPolarHBondContact O-CB 3.3Å; I239-R243 PolarHBondContact O-N 3.25Å |
| 240 | G | 92.7 | Very high | 85.8 | Confident | 25 Ų | 25 | 62 Ų | 62 | 26% | 0.258 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.3 | -49.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | D236 T237 F238 L242 R243 E244 | D236-G240 PolarHBondContact O-N 3.5Å; T237-G240 PolarHBondContact O-N 3.18Å; F238-G240 VanDerWaalsContact C-N 3.33Å; G240-L242 PolarHBondContact O-N 2.88Å; G240-R243 WeakPolarHBondContact O-CB 3.45Å; G240-R243 PolarHBondContact O-N 3.41Å; G240-R243 VanDerWaalsContact O-N 3.13Å; G240-E244 PolarHBondContact O-N 3.11Å |
| 241 | E | 88.1 | Confident | 84.6 | Confident | 61 Ų | 61 | 68.8 Ų | 68.8 | 29% | 0.285 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 176.5 | -70.9 | 176.6 | -154.7 | 0 | 0 | 113 | R148 T237 F238 R243 E244 E245 | R148-E241 IonicContact CZ-OE1 3.47Å; R148-E241 IonicContact CZ-OE2 3.59Å; R148-E241 IonicContact NH1-OE1 3.43Å; R148-E241 PolarHBondContact NH1-OE1 3.11Å; R148-E241 IonicContact NH1-OE2 2.77Å; R148-E241 PolarHBondContact NH1-OE2 3.03Å; R148-E241 IonicContact NH2-OE1 2.67Å; R148-E241 PolarHBondContact NH2-OE1 3.41Å; R148-E241 IonicContact NH2-OE2 3.47Å; R148-E241 PolarHBondContact NH2-OE2 3.18Å; T237-E241 PolarHBondContact O-N 3.36Å; F238-E241 PolarHBondContact O-N 2.92Å; E241-R243 VanDerWaalsContact C-N 3.26Å; E241-R243 PolarHBondContact O-N 3.06Å; E241-E244 PolarHBondContact O-N 3.44Å; E241-E245 PolarHBondContact O-N 2.61Å |
| 242 | L | 88.8 | Confident | 83.5 | Confident | 7 Ų | 7 | 69.3 Ų | 69.3 | 4% | 0.037 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.3 | -33.8 | 175.7 | -66.2 | -171 | 0 | 0 | 0 | 111.9 | R210 Y213 M214 F238 I239 G240 E245 I246 | R210-L242 HydrophobicContact CG-CD1 4.33Å; R210-L242 HydrophobicContact CG-CD2 3.78Å; Y213-L242 HydrophobicContact CD1-CB 3.5Å; Y213-L242 HydrophobicContact CD1-CD1 3.9Å; Y213-L242 HydrophobicContact CD1-CG 4.37Å; Y213-L242 HydrophobicContact CE1-CB 3.67Å; Y213-L242 HydrophobicContact CG-CB 4.29Å; Y213-L242 HydrophobicContact CG-CD1 3.95Å; M214-L242 HydrophobicContact CG-CD2 4.4Å; M214-L242 HydrophobicContact SD-CB 4.03Å; M214-L242 HydrophobicContact SD-CD2 4.17Å; F238-L242 HydrophobicContact CD1-CD1 4.22Å; F238-L242 HydrophobicContact CE1-CD1 3.52Å; F238-L242 HydrophobicContact CE1-CG 4.29Å; F238-L242 HydrophobicContact CE2-CD1 4.34Å; F238-L242 HydrophobicContact CE2-CG 4.46Å; F238-L242 HydrophobicContact CZ-CD1 3.6Å; F238-L242 HydrophobicContact CZ-CG 4.19Å; F238-L242 WeakPolarHBondContact O-CG 3.33Å; F238-L242 PolarHBondContact O-N 3.41Å; F238-L242 VanDerWaalsContact O-N 3.17Å; I239-L242 PolarHBondContact O-N 3.14Å; G240-L242 PolarHBondContact O-N 2.88Å; L242-E245 PolarHBondContact O-N 2.93Å; L242-I246 WeakPolarHBondContact O-CG1 3.27Å; L242-I246 PolarHBondContact O-N 3.45Å |
| 243 | R | 89.5 | Confident | 82.4 | Confident | 114 Ų | 114 | 68.1 Ų | 68.1 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.1 | -46.8 | 175.4 | -174.2 | 176.7 | -66.7 | 178 | -1.2 | 110.8 | E219 I239 G240 E241 E245 I246 E247 | E219-R243 IonicContact OE1-NH2 2.74Å; E219-R243 IonicContact OE2-NH2 3.95Å; E219-R243 PolarHBondContact OE2-NH2 3.23Å; I239-R243 WeakPolarHBondContact O-CB 3.3Å; I239-R243 PolarHBondContact O-N 3.25Å; G240-R243 WeakPolarHBondContact O-CB 3.45Å; G240-R243 PolarHBondContact O-N 3.41Å; G240-R243 VanDerWaalsContact O-N 3.13Å; E241-R243 VanDerWaalsContact C-N 3.26Å; E241-R243 PolarHBondContact O-N 3.06Å; R243-E245 VanDerWaalsContact C-N 3.3Å; R243-E245 PolarHBondContact O-N 3.04Å; R243-I246 PolarHBondContact O-N 3.49Å; R243-I246 VanDerWaalsContact O-N 3.15Å; R243-E247 WeakPolarHBondContact O-CG 3.03Å; R243-E247 PolarHBondContact O-N 3.24Å |
| 244 | E | 86 | Confident | 81.7 | Confident | 126 Ų | 126 | 72.4 Ų | 72.4 | 59% | 0.589 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -57.6 | -43.2 | 174 | -70.1 | 176.4 | -170.6 | 0 | 0 | 111.2 | G240 E241 I246 E247 V248 | G240-E244 PolarHBondContact O-N 3.11Å; E241-E244 PolarHBondContact O-N 3.44Å; E244-I246 PolarHBondContact O-N 2.92Å; E244-E247 PolarHBondContact O-N 2.88Å; E244-V248 WeakPolarHBondContact O-CG2 3.27Å; E244-V248 PolarHBondContact O-N 3.46Å |
| 245 | E | 82.5 | Confident | 80.8 | Confident | 9 Ų | 9 | 70.5 Ų | 70.5 | 4% | 0.042 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 176.1 | -168.5 | -178.7 | 179.6 | 0 | 0 | 111.9 | R210 M214 E241 L242 R243 A249 Q402 | R210-E245 IonicContact CZ-OE2 3.77Å; R210-E245 IonicContact NE-OE2 3.67Å; R210-E245 PolarHBondContact NE-OE2 3.31Å; R210-E245 IonicContact NH2-OE1 3.86Å; R210-E245 PolarHBondContact NH2-OE1 3.43Å; R210-E245 IonicContact NH2-OE2 2.93Å; R210-E245 PolarHBondContact NH2-OE2 2.92Å; M214-E245 HydrophobicContact CE-CB 3.98Å; M214-E245 HydrophobicContact CE-CG 3.72Å; E241-E245 PolarHBondContact O-N 2.61Å; L242-E245 PolarHBondContact O-N 2.93Å; R243-E245 VanDerWaalsContact C-N 3.3Å; R243-E245 PolarHBondContact O-N 3.04Å; E245-A249 WeakPolarHBondContact O-CB 3.5Å; E245-A249 PolarHBondContact O-N 3.35Å; E245-Q402 WeakPolarHBondContact OE1-CB 3.47Å; E245-Q402 PolarHBondContact OE1-N 3.2Å |
| 246 | I | 82.3 | Confident | 80.1 | Confident | 22 Ų | 22 | 76.3 Ų | 76.3 | 11% | 0.113 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 175.4 | -69.9 | -178.2 | 0 | 0 | 0 | 111.6 | Y213 M214 L242 R243 E244 V248 A249 K250 | Y213-I246 HydrophobicContact CD1-CD1 3.65Å; Y213-I246 HydrophobicContact CE1-CD1 3.43Å; Y213-I246 VanDerWaalsContact CE1-CD1 3.43Å; Y213-I246 HydrophobicContact CE1-CG1 4.32Å; M214-I246 HydrophobicContact CE-CD1 4.44Å; M214-I246 HydrophobicContact CE-CG1 3.52Å; M214-I246 HydrophobicContact SD-CD1 3.75Å; M214-I246 HydrophobicContact SD-CG1 3.38Å; M214-I246 WeakPolarHBondContact SD-CG1 3.27Å; L242-I246 WeakPolarHBondContact O-CG1 3.27Å; L242-I246 PolarHBondContact O-N 3.45Å; R243-I246 PolarHBondContact O-N 3.49Å; R243-I246 VanDerWaalsContact O-N 3.15Å; E244-I246 PolarHBondContact O-N 2.92Å; I246-V248 VanDerWaalsContact C-N 3.33Å; I246-V248 PolarHBondContact O-N 2.88Å; I246-A249 CarbonylContact O-C 3.53Å; I246-A249 WeakPolarHBondContact O-CA 3.35Å; I246-A249 PolarHBondContact O-N 3.38Å; I246-K250 HydrophobicContact CG2-CD 4.01Å; I246-K250 HydrophobicContact CG2-CG 3.94Å; I246-K250 WeakPolarHBondContact O-CG 3.42Å; I246-K250 PolarHBondContact O-N 3.06Å |
| 247 | E | 81.1 | Confident | 79.4 | Confident | 103 Ų | 103 | 75.9 Ų | 75.9 | 48% | 0.481 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | -179.2 | -74.9 | 179.2 | 164.3 | 0 | 0 | 111.3 | R243 E244 A249 K250 | R243-E247 WeakPolarHBondContact O-CG 3.03Å; R243-E247 PolarHBondContact O-N 3.24Å; E244-E247 PolarHBondContact O-N 2.88Å; E247-A249 VanDerWaalsContact C-N 3.27Å; E247-A249 PolarHBondContact O-N 3.24Å; E247-K250 PolarHBondContact O-N 3.48Å |
| 248 | V | 73.5 | Confident | 78.8 | Confident | 67 Ų | 67 | 76.4 Ų | 76.4 | 41% | 0.406 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.2 | -37.9 | 171 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | E244 I246 | E244-V248 WeakPolarHBondContact O-CG2 3.27Å; E244-V248 PolarHBondContact O-N 3.46Å; I246-V248 VanDerWaalsContact C-N 3.33Å; I246-V248 PolarHBondContact O-N 2.88Å |
| 249 | A | 71.5 | Confident | 78.5 | Confident | 48 Ų | 48 | 76.5 Ų | 76.5 | 40% | 0.397 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -77.1 | -31.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | E245 I246 E247 N251 Q252 | E245-A249 WeakPolarHBondContact O-CB 3.5Å; E245-A249 PolarHBondContact O-N 3.35Å; I246-A249 CarbonylContact O-C 3.53Å; I246-A249 WeakPolarHBondContact O-CA 3.35Å; I246-A249 PolarHBondContact O-N 3.38Å; E247-A249 VanDerWaalsContact C-N 3.27Å; E247-A249 PolarHBondContact O-N 3.24Å; A249-N251 VanDerWaalsContact C-N 3.26Å; A249-N251 PolarHBondContact O-N 3.29Å; A249-Q252 CarbonylContact O-C 3.46Å; A249-Q252 WeakPolarHBondContact O-CA 3.41Å; A249-Q252 WeakPolarHBondContact O-CB 3.21Å; A249-Q252 PolarHBondContact O-N 2.83Å |
| 250 | K | 69.5 | Low | 78.1 | Confident | 159 Ų | 159 | 76.5 Ų | 76.5 | 69% | 0.691 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64 | -33.2 | 178.2 | -84.6 | 178.3 | 177.4 | 175.7 | 0 | 112.1 | I246 E247 Q252 | I246-K250 HydrophobicContact CG2-CD 4.01Å; I246-K250 HydrophobicContact CG2-CG 3.94Å; I246-K250 WeakPolarHBondContact O-CG 3.42Å; I246-K250 PolarHBondContact O-N 3.06Å; E247-K250 PolarHBondContact O-N 3.48Å; K250-Q252 PolarHBondContact O-N 3.13Å |
| 251 | N | 64.8 | Low | 77.8 | Confident | 151 Ų | 151 | 80.9 Ų | 80.9 | 81% | 0.807 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -0.8 | 173.5 | -68.2 | -28.3 | 0 | 0 | 0 | 112.6 | A249 | A249-N251 VanDerWaalsContact C-N 3.26Å; A249-N251 PolarHBondContact O-N 3.29Å |
| 252 | Q | 61.5 | Low | 77.6 | Confident | 97 Ų | 97 | 82.8 Ų | 82.8 | 45% | 0.453 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -116 | 147.1 | 177.3 | -60 | -173 | -10.2 | 0 | 0 | 110.6 | A249 K250 | A249-Q252 CarbonylContact O-C 3.46Å; A249-Q252 WeakPolarHBondContact O-CA 3.41Å; A249-Q252 WeakPolarHBondContact O-CB 3.21Å; A249-Q252 PolarHBondContact O-N 2.83Å; K250-Q252 PolarHBondContact O-N 3.13Å |
| 253 | P | 62.6 | Low | 77.3 | Confident | 96 Ų | 96 | 84.5 Ų | 84.5 | 62% | 0.623 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 147.9 | 173.1 | 25.3 | -33.2 | 0 | 0 | 0 | 110.7 | F255 | P253-F255 PolarHBondContact O-N 3.21Š|
| 254 | V | 68.5 | Low | 77 | Confident | 131 Ų | 131 | 88.5 Ų | 88.5 | 79% | 0.794 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -46.4 | 129.2 | 176 | -179.9 | 0 | 0 | 0 | 0 | 110 | K256 | V254-K256 PolarHBondContact O-N 2.83Š|
| 255 | F | 71 | Confident | 76.9 | Confident | 51 Ų | 51 | 85.9 Ų | 85.9 | 22% | 0.224 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 126.7 | -174.5 | -178 | -97.2 | 0 | 0 | 0 | 111.3 | P253 Q259 L260 L266 P404 A407 | P253-F255 PolarHBondContact O-N 3.21Å; F255-Q259 VanDerWaalsContact CA-OE1 3.23Å; F255-Q259 HydrophobicContact CD2-CB 4.23Å; F255-Q259 HydrophobicContact CE2-CB 3.78Å; F255-Q259 HydrophobicContact CZ-CB 4.41Å; F255-L260 HydrophobicContact CE1-CG 4.49Å; F255-L260 HydrophobicContact CZ-CD2 3.68Å; F255-L260 HydrophobicContact CZ-CG 3.8Å; F255-L266 HydrophobicContact CE2-CD1 3.9Å; F255-P404 HydrophobicContact CD2-CB 4.25Å; F255-P404 HydrophobicContact CE1-CB 4.27Å; F255-P404 HydrophobicContact CE2-CB 3.6Å; F255-P404 HydrophobicContact CZ-CB 3.61Å; F255-A407 HydrophobicContact CE1-CB 3.74Å; F255-A407 HydrophobicContact CZ-CB 4.49Å |
| 256 | K | 78.1 | Confident | 77.2 | Confident | 141 Ų | 141 | 86.1 Ų | 86.1 | 61% | 0.613 | 44% | 0.437 | S | S | * | . | trans | -110.9 | 141.4 | 173.8 | -66.1 | -174.2 | -179.9 | -178 | 0 | 109.1 | V254 T258 Q259 | V254-K256 PolarHBondContact O-N 2.83Å; K256-T258 PolarHBondContact O-N 3.09Å; K256-Q259 HydrophobicContact CB-CG 4.34Å; K256-Q259 WeakPolarHBondContact O-CB 3.19Å; K256-Q259 PolarHBondContact O-N 2.88Å | ||
| 257 | F | 79.5 | Confident | 77.6 | Confident | 79 Ų | 79 | 91.8 Ų | 91.8 | 35% | 0.346 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -36.1 | 179.5 | -171.9 | -91.1 | 0 | 0 | 0 | 113.2 | F79 Q259 L260 F261 A407 L411 | F79-F257 AromaticContact CE2-CZ 3.94Å; F79-F257 HydrophobicContact CE2-CZ 3.94Å; F79-F257 HydrophobicContact CZ-CZ 4.25Å; F257-Q259 PolarHBondContact O-N 3.16Å; F257-L260 HydrophobicContact CD2-CD1 4.02Å; F257-L260 HydrophobicContact CE2-CD1 3.78Å; F257-L260 HydrophobicContact CG-CD1 4.47Å; F257-L260 HydrophobicContact CZ-CD1 4.04Å; F257-L260 WeakPolarHBondContact O-CB 3.27Å; F257-L260 WeakPolarHBondContact O-CG 3.44Å; F257-L260 PolarHBondContact O-N 3.34Å; F257-L260 VanDerWaalsContact O-N 3.09Å; F257-F261 HydrophobicContact CD1-CE2 4.28Å; F257-F261 AromaticContact CE1-CE2 3.77Å; F257-F261 HydrophobicContact CE1-CE2 3.77Å; F257-F261 HydrophobicContact CE1-CZ 4.42Å; F257-A407 HydrophobicContact CD2-CB 3.73Å; F257-A407 HydrophobicContact CE2-CB 4.11Å; F257-L411 HydrophobicContact CZ-CB 4.38Å |
| 258 | T | 79.8 | Confident | 78.1 | Confident | 88 Ų | 88 | 88 Ų | 88 | 54% | 0.54 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -25.8 | 176.7 | 54 | 0 | 0 | 0 | 0 | 113.5 | K256 L260 F261 T262 | K256-T258 PolarHBondContact O-N 3.09Å; T258-L260 PolarHBondContact O-N 3.06Å; T258-F261 PolarHBondContact O-N 3.43Å; T258-F261 VanDerWaalsContact O-N 3.14Å; T258-T262 PolarHBondContact O-N 3.3Å; T258-T262 PolarHBondContact O-OG1 3Å |
| 259 | Q | 83 | Confident | 79.1 | Confident | 30 Ų | 30 | 84.9 Ų | 84.9 | 14% | 0.14 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -66 | -22.1 | 177.4 | -68.3 | 173.9 | -28.2 | 0 | 0 | 112.9 | F255 K256 F257 F261 T262 Q263 | F255-Q259 VanDerWaalsContact CA-OE1 3.23Å; F255-Q259 HydrophobicContact CD2-CB 4.23Å; F255-Q259 HydrophobicContact CE2-CB 3.78Å; F255-Q259 HydrophobicContact CZ-CB 4.41Å; K256-Q259 HydrophobicContact CB-CG 4.34Å; K256-Q259 WeakPolarHBondContact O-CB 3.19Å; K256-Q259 PolarHBondContact O-N 2.88Å; F257-Q259 PolarHBondContact O-N 3.16Å; Q259-F261 PolarHBondContact O-N 2.89Å; Q259-F261 VanDerWaalsContact O-N 3.15Å; Q259-T262 PolarHBondContact O-N 3.11Å; Q259-Q263 HydrophobicContact CB-CG 3.96Å; Q259-Q263 HydrophobicContact CG-CG 4.4Å; Q259-Q263 WeakPolarHBondContact O-CB 3.39Å; Q259-Q263 PolarHBondContact O-N 3.38Å |
| 260 | L | 85.5 | Confident | 80.1 | Confident | 2 Ų | 2 | 83.2 Ų | 83.2 | 1% | 0.01 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -54.4 | -33.4 | 171.7 | -70.3 | 178.9 | 0 | 0 | 0 | 112.3 | F255 F257 T258 L266 V270 P404 A407 A408 L411 | F255-L260 HydrophobicContact CE1-CG 4.49Å; F255-L260 HydrophobicContact CZ-CD2 3.68Å; F255-L260 HydrophobicContact CZ-CG 3.8Å; F257-L260 HydrophobicContact CD2-CD1 4.02Å; F257-L260 HydrophobicContact CE2-CD1 3.78Å; F257-L260 HydrophobicContact CG-CD1 4.47Å; F257-L260 HydrophobicContact CZ-CD1 4.04Å; F257-L260 WeakPolarHBondContact O-CB 3.27Å; F257-L260 WeakPolarHBondContact O-CG 3.44Å; F257-L260 PolarHBondContact O-N 3.34Å; F257-L260 VanDerWaalsContact O-N 3.09Å; T258-L260 PolarHBondContact O-N 3.06Å; L260-L266 HydrophobicContact CD2-CD1 4.28Å; L260-V270 HydrophobicContact CB-CG2 4.35Å; L260-V270 HydrophobicContact CD2-CG2 4Å; L260-P404 HydrophobicContact CD2-CB 4.04Å; L260-A407 HydrophobicContact CD1-CB 3.97Å; L260-A408 HydrophobicContact CD2-CB 3.8Å; L260-L411 HydrophobicContact CD1-CB 4.48Å; L260-L411 HydrophobicContact CD1-CD2 4.17Å |
| 261 | F | 86.7 | Confident | 81.3 | Confident | 117 Ų | 117 | 79.4 Ų | 79.4 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -99.3 | -20 | -177.2 | -54.6 | -75.8 | 0 | 0 | 0 | 112.7 | F257 T258 Q259 L411 | F257-F261 HydrophobicContact CD1-CE2 4.28Å; F257-F261 AromaticContact CE1-CE2 3.77Å; F257-F261 HydrophobicContact CE1-CE2 3.77Å; F257-F261 HydrophobicContact CE1-CZ 4.42Å; T258-F261 PolarHBondContact O-N 3.43Å; T258-F261 VanDerWaalsContact O-N 3.14Å; Q259-F261 PolarHBondContact O-N 2.89Å; Q259-F261 VanDerWaalsContact O-N 3.15Å; F261-L411 HydrophobicContact CE1-CD2 3.83Å; F261-L411 HydrophobicContact CE2-CD2 4.49Å; F261-L411 HydrophobicContact CZ-CD1 4.08Å; F261-L411 HydrophobicContact CZ-CD2 3.54Å; F261-L411 HydrophobicContact CZ-CG 4.46Å |
| 262 | T | 83.4 | Confident | 82.8 | Confident | 100 Ų | 100 | 72.2 Ų | 72.2 | 61% | 0.613 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -96.9 | -38.9 | -174.6 | -51.6 | 0 | 0 | 0 | 0 | 113 | T258 Q259 | T258-T262 PolarHBondContact O-N 3.3Å; T258-T262 PolarHBondContact O-OG1 3Å; Q259-T262 PolarHBondContact O-N 3.11Å |
| 263 | Q | 84.1 | Confident | 84.4 | Confident | 43 Ų | 43 | 67.7 Ų | 67.7 | 20% | 0.201 | 33% | 0.333 | C | S | . | . | trans | -72.1 | 130.8 | -175.6 | -77.7 | -178.9 | -28.4 | 0 | 0 | 111.4 | Q259 D265 L266 R267 | Q259-Q263 HydrophobicContact CB-CG 3.96Å; Q259-Q263 HydrophobicContact CG-CG 4.4Å; Q259-Q263 WeakPolarHBondContact O-CB 3.39Å; Q259-Q263 PolarHBondContact O-N 3.38Å; Q263-D265 WeakPolarHBondContact CB-OD1 3.37Å; Q263-L266 HydrophobicContact CB-CB 4.25Å; Q263-L266 HydrophobicContact CB-CD1 4.11Å; Q263-L266 HydrophobicContact CB-CG 4.01Å; Q263-L266 PolarHBondContact O-N 3.4Å; Q263-R267 WeakPolarHBondContact O-CG 3.36Å | ||
| 264 | R | 82.6 | Confident | 86 | Confident | 198 Ų | 198 | 64.2 Ų | 64.2 | 75% | 0.747 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -40.1 | -173.4 | -68.4 | -175.1 | 178.6 | -171.1 | -0.2 | 112.3 | L266 R267 | R264-L266 PolarHBondContact O-N 3.09Å; R264-R267 PolarHBondContact O-N 3.01Å |
| 265 | D | 84.2 | Confident | 87.3 | Confident | 72 Ų | 72 | 60 Ų | 60 | 39% | 0.385 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -22.9 | 178.2 | 57.9 | -55.2 | 0 | 0 | 0 | 113.1 | Q263 P269 A473 | Q263-D265 WeakPolarHBondContact CB-OD1 3.37Å; D265-P269 WeakPolarHBondContact O-CD 3.38Å; D265-A473 HydrophobicContact CB-CB 4.11Å |
| 266 | L | 88 | Confident | 88.6 | Confident | 13 Ų | 13 | 57.6 Ų | 57.6 | 7% | 0.068 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -14 | 177.6 | -61.2 | -171.8 | 0 | 0 | 0 | 114.2 | F255 L260 Q263 R264 M268 P269 V270 P404 | F255-L266 HydrophobicContact CE2-CD1 3.9Å; L260-L266 HydrophobicContact CD2-CD1 4.28Å; Q263-L266 HydrophobicContact CB-CB 4.25Å; Q263-L266 HydrophobicContact CB-CD1 4.11Å; Q263-L266 HydrophobicContact CB-CG 4.01Å; Q263-L266 PolarHBondContact O-N 3.4Å; R264-L266 PolarHBondContact O-N 3.09Å; L266-M268 PolarHBondContact O-N 3.11Å; L266-P269 WeakPolarHBondContact O-CD 3.14Å; L266-V270 HydrophobicContact CB-CG2 4.32Å; L266-V270 VanDerWaalsContact O-CB 3.28Å; L266-V270 WeakPolarHBondContact O-CB 3.43Å; L266-V270 WeakPolarHBondContact O-CG2 3.39Å; L266-V270 PolarHBondContact O-N 3.44Å; L266-P404 HydrophobicContact CD1-CB 3.89Å; L266-P404 HydrophobicContact CD1-CG 4.3Å; L266-P404 HydrophobicContact CD2-CB 4.33Å; L266-P404 HydrophobicContact CD2-CG 3.99Å |
| 267 | R | 90.8 | Very high | 89.4 | Confident | 142 Ų | 142 | 50.9 Ų | 50.9 | 54% | 0.536 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58 | -49.2 | -174.3 | -69 | 178.3 | -179.1 | -179 | -4 | 112.8 | Q263 R264 L271 | Q263-R267 WeakPolarHBondContact O-CG 3.36Å; R264-R267 PolarHBondContact O-N 3.01Å; R267-L271 VanDerWaalsContact O-CB 3.25Å; R267-L271 WeakPolarHBondContact O-CB 3.27Å; R267-L271 PolarHBondContact O-N 3.26Å |
| 268 | M | 92.2 | Very high | 90.2 | Very high | 22 Ų | 22 | 48.7 Ų | 48.7 | 11% | 0.108 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.9 | -47.8 | -178.9 | -178.9 | 63.9 | 109.7 | 0 | 0 | 112.3 | L266 V270 L271 I272 F452 F456 L472 | L266-M268 PolarHBondContact O-N 3.11Å; M268-V270 VanDerWaalsContact C-N 3.34Å; M268-V270 PolarHBondContact O-N 3.31Å; M268-L271 PolarHBondContact O-N 3.1Å; M268-I272 HydrophobicContact CG-CD1 3.93Å; M268-I272 HydrophobicContact CG-CG1 4.48Å; M268-I272 WeakPolarHBondContact O-CG1 3.33Å; M268-I272 PolarHBondContact O-N 3.17Å; M268-I272 HydrophobicContact SD-CD1 4.11Å; M268-I272 HydrophobicContact SD-CG1 4.17Å; M268-F452 HydrophobicContact SD-CE2 4.5Å; M268-F452 HydrophobicContact SD-CZ 3.95Å; M268-F456 HydrophobicContact CE-CB 3.58Å; M268-F456 HydrophobicContact CE-CD1 3.22Å; M268-F456 HydrophobicContact CE-CD2 4.35Å; M268-F456 HydrophobicContact CE-CE1 3.93Å; M268-F456 HydrophobicContact CE-CG 3.46Å; M268-F456 VanDerWaalsContact CE-CG 3.46Å; M268-F456 HydrophobicContact SD-CB 4.39Å; M268-L472 WeakPolarHBondContact CB-O 3.39Å; M268-L472 HydrophobicContact CG-CD2 4.07Å |
| 269 | P | 93.2 | Very high | 91.1 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.019 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.4 | -45.4 | 172.4 | -27.4 | 33.3 | 0 | 0 | 0 | 113.7 | D265 L266 I272 A273 I399 F400 L472 | D265-P269 WeakPolarHBondContact O-CD 3.38Å; L266-P269 WeakPolarHBondContact O-CD 3.14Å; P269-I272 PolarHBondContact O-N 3.07Å; P269-A273 VanDerWaalsContact O-CB 3.3Å; P269-A273 WeakPolarHBondContact O-CB 3.35Å; P269-A273 PolarHBondContact O-N 3.48Å; P269-I399 HydrophobicContact CB-CD1 4.48Å; P269-I399 WeakPolarHBondContact O-CD1 3.49Å; P269-F400 HydrophobicContact CB-CD1 3.99Å; P269-F400 HydrophobicContact CB-CE1 3.42Å; P269-F400 VanDerWaalsContact CB-CE1 3.42Å; P269-F400 HydrophobicContact CB-CZ 3.87Å; P269-F400 WeakPolarHBondContact O-CZ 3.41Å; P269-L472 HydrophobicContact CB-CD1 4.36Å; P269-L472 HydrophobicContact CG-CB 3.72Å; P269-L472 HydrophobicContact CG-CD1 4.04Å |
| 270 | V | 94.2 | Very high | 91.7 | Very high | 13 Ų | 13 | 43.8 Ų | 43.8 | 8% | 0.079 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.1 | -44.8 | 177.8 | 172 | 0 | 0 | 0 | 0 | 110.7 | L260 L266 M268 I272 A273 C274 F400 L411 | L260-V270 HydrophobicContact CB-CG2 4.35Å; L260-V270 HydrophobicContact CD2-CG2 4Å; L266-V270 HydrophobicContact CB-CG2 4.32Å; L266-V270 VanDerWaalsContact O-CB 3.28Å; L266-V270 WeakPolarHBondContact O-CB 3.43Å; L266-V270 WeakPolarHBondContact O-CG2 3.39Å; L266-V270 PolarHBondContact O-N 3.44Å; M268-V270 VanDerWaalsContact C-N 3.34Å; M268-V270 PolarHBondContact O-N 3.31Å; V270-I272 PolarHBondContact O-N 3.21Å; V270-A273 PolarHBondContact O-N 2.86Å; V270-C274 WeakPolarHBondContact O-CB 3.37Å; V270-C274 PolarHBondContact O-N 3.01Å; V270-C274 PolarHBondContact O-SG 2.7Å; V270-F400 HydrophobicContact CG2-CE1 3.89Å; V270-F400 HydrophobicContact CG2-CZ 4.2Å; V270-L411 HydrophobicContact CG1-CD2 3.93Å |
| 271 | L | 94.6 | Very high | 92.1 | Very high | 79 Ų | 79 | 44.5 Ų | 44.5 | 41% | 0.414 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.6 | -47.1 | 177.1 | -178.7 | 62.2 | 0 | 0 | 0 | 111.9 | R267 M268 A273 C274 L275 F452 | R267-L271 VanDerWaalsContact O-CB 3.25Å; R267-L271 WeakPolarHBondContact O-CB 3.27Å; R267-L271 PolarHBondContact O-N 3.26Å; M268-L271 PolarHBondContact O-N 3.1Å; L271-A273 VanDerWaalsContact C-N 3.35Å; L271-A273 PolarHBondContact O-N 3.44Å; L271-C274 PolarHBondContact O-N 3.49Å; L271-L275 HydrophobicContact CD1-CD1 3.73Å; L271-L275 HydrophobicContact CD1-CG 3.92Å; L271-L275 HydrophobicContact CD2-CD1 4.48Å; L271-L275 HydrophobicContact CG-CD1 3.81Å; L271-L275 HydrophobicContact CG-CG 4.35Å; L271-L275 WeakPolarHBondContact O-CB 3.29Å; L271-L275 WeakPolarHBondContact O-CG 3.05Å; L271-L275 PolarHBondContact O-N 3.33Å; L271-F452 HydrophobicContact CD2-CE2 3.8Å; L271-F452 HydrophobicContact CD2-CZ 3.76Å; L271-F452 HydrophobicContact CG-CE2 4.41Å; L271-F452 HydrophobicContact CG-CZ 3.96Å |
| 272 | I | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.9 | -48.1 | 174.8 | -73 | 170 | 0 | 0 | 0 | 110.4 | M268 P269 V270 C274 L275 I276 I395 I399 F452 F453 M457 L472 | M268-I272 HydrophobicContact CG-CD1 3.93Å; M268-I272 HydrophobicContact CG-CG1 4.48Å; M268-I272 WeakPolarHBondContact O-CG1 3.33Å; M268-I272 PolarHBondContact O-N 3.17Å; M268-I272 HydrophobicContact SD-CD1 4.11Å; M268-I272 HydrophobicContact SD-CG1 4.17Å; P269-I272 PolarHBondContact O-N 3.07Å; V270-I272 PolarHBondContact O-N 3.21Å; I272-C274 VanDerWaalsContact C-N 3.27Å; I272-C274 PolarHBondContact O-N 3.29Å; I272-L275 PolarHBondContact O-N 2.88Å; I272-I276 WeakPolarHBondContact O-CB 3.49Å; I272-I276 WeakPolarHBondContact O-CG2 3.22Å; I272-I276 PolarHBondContact O-N 3.04Å; I272-I395 HydrophobicContact CG2-CG2 4.16Å; I272-I399 HydrophobicContact CB-CD1 4.35Å; I272-I399 HydrophobicContact CG2-CD1 3.89Å; I272-F452 HydrophobicContact CG1-CE1 3.92Å; I272-F452 HydrophobicContact CG1-CZ 4.18Å; I272-F453 HydrophobicContact CG2-CE1 4.15Å; I272-M457 HydrophobicContact CD1-SD 4.26Å; I272-M457 HydrophobicContact CG2-SD 3.74Å; I272-L472 HydrophobicContact CD1-CD1 4.38Å; I272-L472 HydrophobicContact CD1-CD2 3.51Å |
| 273 | A | 95.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 2% | 0.017 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.9 | -32.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | P269 V270 L271 Q277 V396 I399 F400 S412 | P269-A273 VanDerWaalsContact O-CB 3.3Å; P269-A273 WeakPolarHBondContact O-CB 3.35Å; P269-A273 PolarHBondContact O-N 3.48Å; V270-A273 PolarHBondContact O-N 2.86Å; L271-A273 VanDerWaalsContact C-N 3.35Å; L271-A273 PolarHBondContact O-N 3.44Å; A273-Q277 VanDerWaalsContact O-CG 3.3Å; A273-Q277 WeakPolarHBondContact O-CG 3.34Å; A273-V396 HydrophobicContact CB-CG1 4.21Å; A273-V396 HydrophobicContact CB-CG2 4.07Å; A273-I399 HydrophobicContact CB-CD1 4.18Å; A273-F400 HydrophobicContact CB-CE2 3.68Å; A273-F400 HydrophobicContact CB-CZ 3.71Å; A273-S412 WeakPolarHBondContact O-CB 3.45Å; A273-S412 PolarHBondContact O-OG 3.47Å |
| 274 | C | 95.9 | Very high | 93.4 | Very high | 22 Ų | 22 | 33.7 Ų | 33.7 | 15% | 0.149 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -79.2 | -51.4 | 177.1 | -62.7 | 0 | 0 | 0 | 0 | 110.8 | V270 L271 I272 I276 Q277 V278 I415 | V270-C274 WeakPolarHBondContact O-CB 3.37Å; V270-C274 PolarHBondContact O-N 3.01Å; V270-C274 PolarHBondContact O-SG 2.7Å; L271-C274 PolarHBondContact O-N 3.49Å; I272-C274 VanDerWaalsContact C-N 3.27Å; I272-C274 PolarHBondContact O-N 3.29Å; C274-I276 PolarHBondContact O-N 3.07Å; C274-Q277 PolarHBondContact O-N 2.85Å; C274-Q277 VanDerWaalsContact O-N 3.17Å; C274-V278 WeakPolarHBondContact O-CG2 3.37Å; C274-V278 PolarHBondContact O-N 3.35Å; C274-V278 VanDerWaalsContact O-N 3.13Å; C274-I415 HydrophobicContact CB-CD1 3.63Å; C274-I415 WeakPolarHBondContact SG-CD1 3.4Å |
| 275 | L | 96.8 | Very high | 93.9 | Very high | 44 Ų | 44 | 25.1 Ų | 25.1 | 23% | 0.23 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.4 | -31.3 | -176.8 | -75.4 | 178.1 | 0 | 0 | 0 | 112.8 | L271 I272 Q277 V278 L279 F452 F453 | L271-L275 HydrophobicContact CD1-CD1 3.73Å; L271-L275 HydrophobicContact CD1-CG 3.92Å; L271-L275 HydrophobicContact CD2-CD1 4.48Å; L271-L275 HydrophobicContact CG-CD1 3.81Å; L271-L275 HydrophobicContact CG-CG 4.35Å; L271-L275 WeakPolarHBondContact O-CB 3.29Å; L271-L275 WeakPolarHBondContact O-CG 3.05Å; L271-L275 PolarHBondContact O-N 3.33Å; I272-L275 PolarHBondContact O-N 2.88Å; L275-Q277 VanDerWaalsContact C-N 3.28Å; L275-Q277 PolarHBondContact O-N 3.19Å; L275-V278 PolarHBondContact O-N 2.97Å; L275-L279 WeakPolarHBondContact O-CB 3.29Å; L275-L279 PolarHBondContact O-N 3.42Å; L275-F452 HydrophobicContact CD1-CD1 3.7Å; L275-F452 HydrophobicContact CD1-CD2 4.22Å; L275-F452 HydrophobicContact CD1-CE1 3.61Å; L275-F452 HydrophobicContact CD1-CE2 4.14Å; L275-F452 HydrophobicContact CD1-CG 4.02Å; L275-F452 HydrophobicContact CD1-CZ 3.84Å; L275-F453 HydrophobicContact CB-CZ 3.84Å |
| 276 | I | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.8 | -30.3 | -178.7 | -161.5 | 167.1 | 0 | 0 | 0 | 111.5 | I272 C274 Q280 L337 P392 I395 V396 F453 | I272-I276 WeakPolarHBondContact O-CB 3.49Å; I272-I276 WeakPolarHBondContact O-CG2 3.22Å; I272-I276 PolarHBondContact O-N 3.04Å; C274-I276 PolarHBondContact O-N 3.07Å; I276-Q280 WeakPolarHBondContact O-CB 3.29Å; I276-Q280 PolarHBondContact O-N 3.09Å; I276-L337 HydrophobicContact CD1-CD1 3.92Å; I276-L337 HydrophobicContact CD1-CD2 4.07Å; I276-L337 HydrophobicContact CG1-CD1 4.19Å; I276-P392 HydrophobicContact CD1-CB 4.04Å; I276-P392 HydrophobicContact CD1-CG 4.12Å; I276-P392 HydrophobicContact CG1-CB 3.84Å; I276-P392 HydrophobicContact CG1-CG 3.87Å; I276-P392 HydrophobicContact CG2-CB 4.27Å; I276-I395 HydrophobicContact CD1-CB 4.09Å; I276-I395 HydrophobicContact CD1-CD1 3.59Å; I276-I395 HydrophobicContact CD1-CG1 4.4Å; I276-I395 HydrophobicContact CD1-CG2 4.1Å; I276-V396 HydrophobicContact CG2-CG2 3.84Å; I276-F453 HydrophobicContact CB-CE1 4.22Å; I276-F453 HydrophobicContact CB-CE2 4.45Å; I276-F453 HydrophobicContact CB-CZ 3.7Å; I276-F453 HydrophobicContact CG1-CZ 4.16Å |
| 277 | Q | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -76.9 | -38.5 | 175.5 | -57.1 | -67.9 | 4.5 | 0 | 0 | 111.6 | A273 C274 L275 Q280 Q281 S412 I415 Q416 | A273-Q277 VanDerWaalsContact O-CG 3.3Å; A273-Q277 WeakPolarHBondContact O-CG 3.34Å; C274-Q277 PolarHBondContact O-N 2.85Å; C274-Q277 VanDerWaalsContact O-N 3.17Å; L275-Q277 VanDerWaalsContact C-N 3.28Å; L275-Q277 PolarHBondContact O-N 3.19Å; Q277-Q280 PolarHBondContact O-N 3.43Å; Q277-Q281 PolarHBondContact O-N 3.46Å; Q277-Q281 VanDerWaalsContact O-N 3.12Å; Q277-S412 WeakPolarHBondContact CG-O 3.46Å; Q277-S412 WeakPolarHBondContact CG-OG 3.49Å; Q277-S412 PolarHBondContact NE2-OG 3.35Å; Q277-I415 HydrophobicContact CB-CG2 4.47Å; Q277-Q416 HydrophobicContact CB-CB 3.89Å; Q277-Q416 HydrophobicContact CB-CG 4.42Å; Q277-Q416 HydrophobicContact CG-CB 4.22Å |
| 278 | V | 96.6 | Very high | 93.9 | Very high | 33 Ų | 33 | 16.6 Ų | 16.6 | 20% | 0.2 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.5 | -50.4 | 169.9 | 174.8 | 0 | 0 | 0 | 0 | 109.5 | C274 L275 Q280 Q281 L282 I415 V445 | C274-V278 WeakPolarHBondContact O-CG2 3.37Å; C274-V278 PolarHBondContact O-N 3.35Å; C274-V278 VanDerWaalsContact O-N 3.13Å; L275-V278 PolarHBondContact O-N 2.97Å; V278-Q280 VanDerWaalsContact C-N 3.32Å; V278-Q280 PolarHBondContact O-N 3.35Å; V278-Q281 PolarHBondContact O-N 3.11Å; V278-L282 HydrophobicContact CG1-CD1 4.14Å; V278-L282 HydrophobicContact CG1-CD2 4.3Å; V278-L282 WeakPolarHBondContact O-CA 3.35Å; V278-L282 WeakPolarHBondContact O-CB 3.46Å; V278-L282 PolarHBondContact O-N 3.4Å; V278-I415 HydrophobicContact CG2-CG2 3.69Å; V278-V445 HydrophobicContact CG1-CG1 4.48Å |
| 279 | L | 97.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.7 | -43 | 176.2 | 173.9 | 59.2 | 0 | 0 | 0 | 111.7 | L275 Q281 S283 L337 T341 L388 V446 C449 F453 | L275-L279 WeakPolarHBondContact O-CB 3.29Å; L275-L279 PolarHBondContact O-N 3.42Å; L279-Q281 PolarHBondContact O-N 2.91Å; L279-S283 WeakPolarHBondContact O-CA 3.42Å; L279-S283 WeakPolarHBondContact O-CB 3.33Å; L279-S283 PolarHBondContact O-N 2.97Å; L279-L337 HydrophobicContact CD2-CD1 4.36Å; L279-T341 HydrophobicContact CD1-CG2 4.45Å; L279-L388 HydrophobicContact CD1-CD1 4.28Å; L279-L388 HydrophobicContact CD2-CD2 3.77Å; L279-L388 HydrophobicContact CG-CD1 3.99Å; L279-L388 HydrophobicContact CG-CD2 3.9Å; L279-V446 HydrophobicContact CD1-CB 4.34Å; L279-V446 HydrophobicContact CD1-CG1 4.43Å; L279-V446 HydrophobicContact CD1-CG2 4.02Å; L279-C449 HydrophobicContact CB-CB 4.03Å; L279-C449 HydrophobicContact CD1-CB 3.87Å; L279-C449 HydrophobicContact CD2-CB 4.08Å; L279-C449 HydrophobicContact CG-CB 4.2Å; L279-F453 HydrophobicContact CB-CE2 4.26Å; L279-F453 HydrophobicContact CD2-CD2 3.75Å; L279-F453 HydrophobicContact CD2-CE2 3.59Å |
| 280 | Q | 95.9 | Very high | 93.1 | Very high | 13 Ų | 13 | 21.9 Ų | 21.9 | 6% | 0.061 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.8 | -49.1 | 179 | -171.8 | -173.5 | 82.9 | 0 | 0 | 111.5 | I276 Q277 V278 S283 F384 L388 P392 Q416 | I276-Q280 WeakPolarHBondContact O-CB 3.29Å; I276-Q280 PolarHBondContact O-N 3.09Å; Q277-Q280 PolarHBondContact O-N 3.43Å; V278-Q280 VanDerWaalsContact C-N 3.32Å; V278-Q280 PolarHBondContact O-N 3.35Å; Q280-S283 PolarHBondContact O-OG 2.93Å; Q280-F384 HydrophobicContact CG-CE2 4.1Å; Q280-F384 HydrophobicContact CG-CZ 3.72Å; Q280-F384 WeakPolarHBondContact O-CE2 3.42Å; Q280-L388 WeakPolarHBondContact CG-O 3.43Å; Q280-L388 PolarHBondContact NE2-O 3.47Å; Q280-P392 HydrophobicContact CB-CG 4.45Å; Q280-Q416 VanDerWaalsContact OE1-NE2 3.1Å |
| 281 | Q | 94.5 | Very high | 92.7 | Very high | 18 Ų | 18 | 21.5 Ų | 21.5 | 8% | 0.084 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -82.3 | -45.2 | -175.1 | -63.4 | -63.4 | -35.2 | 0 | 0 | 113.1 | Q277 V278 L279 S283 G284 Q416 N420 | Q277-Q281 PolarHBondContact O-N 3.46Å; Q277-Q281 VanDerWaalsContact O-N 3.12Å; V278-Q281 PolarHBondContact O-N 3.11Å; L279-Q281 PolarHBondContact O-N 2.91Å; Q281-S283 PolarHBondContact O-N 3.13Å; Q281-G284 PolarHBondContact O-N 3.1Å; Q281-Q416 HydrophobicContact CG-CG 3.9Å; Q281-Q416 WeakPolarHBondContact CG-O 3.44Å; Q281-N420 HydrophobicContact CG-CB 4.28Å |
| 282 | L | 94.7 | Very high | 92.3 | Very high | 33 Ų | 33 | 18.1 Ų | 18.1 | 17% | 0.173 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 11.5 | 177.3 | -74 | 76 | 0 | 0 | 0 | 112.7 | V278 G284 V423 F442 V445 | V278-L282 HydrophobicContact CG1-CD1 4.14Å; V278-L282 HydrophobicContact CG1-CD2 4.3Å; V278-L282 WeakPolarHBondContact O-CA 3.35Å; V278-L282 WeakPolarHBondContact O-CB 3.46Å; V278-L282 PolarHBondContact O-N 3.4Å; L282-G284 PolarHBondContact O-N 3.36Å; L282-V423 HydrophobicContact CD1-CG2 4.21Å; L282-V423 HydrophobicContact CG-CG2 4.15Å; L282-F442 HydrophobicContact CB-CD1 4.49Å; L282-F442 WeakPolarHBondContact O-CB 3.49Å; L282-F442 WeakPolarHBondContact O-CD1 3.24Å; L282-V445 HydrophobicContact CB-CB 4.43Å; L282-V445 HydrophobicContact CB-CG1 3.85Å; L282-V445 HydrophobicContact CD2-CG1 4.44Å; L282-V445 HydrophobicContact CD2-CG2 4.28Å |
| 283 | S | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -19.2 | 160.7 | 62.4 | 0 | 0 | 0 | 0 | 112.3 | L279 Q280 Q281 L348 Y380 | L279-S283 WeakPolarHBondContact O-CA 3.42Å; L279-S283 WeakPolarHBondContact O-CB 3.33Å; L279-S283 PolarHBondContact O-N 2.97Å; Q280-S283 PolarHBondContact O-OG 2.93Å; Q281-S283 PolarHBondContact O-N 3.13Å; S283-L348 WeakPolarHBondContact O-CD1 3.47Å; S283-Y380 VanDerWaalsContact C-OH 3.24Å; S283-Y380 WeakPolarHBondContact CB-OH 3.28Å; S283-Y380 PolarHBondContact O-OH 3.32Å; S283-Y380 PolarHBondContact OG-OH 3.11Å; S283-Y380 VanDerWaalsContact OG-OH 3.1Å |
| 284 | G | 92.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 93.6 | 16.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q281 L282 N286 A287 V288 | Q281-G284 PolarHBondContact O-N 3.1Å; L282-G284 PolarHBondContact O-N 3.36Å; G284-N286 VanDerWaalsContact C-N 3.3Å; G284-N286 PolarHBondContact O-N 3.29Å; G284-A287 WeakPolarHBondContact O-CA 3.43Å; G284-A287 WeakPolarHBondContact O-CB 3.22Å; G284-A287 PolarHBondContact O-N 3.45Å; G284-V288 WeakPolarHBondContact O-CG2 3.26Å; G284-V288 PolarHBondContact O-N 2.93Å |
| 285 | I | 92 | Very high | 91 | Very high | 17 Ų | 17 | 22.1 Ų | 22.1 | 9% | 0.087 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -55.2 | -43.1 | 178.9 | -178.2 | 61.9 | 0 | 0 | 0 | 112.5 | A287 V288 I289 Y380 I381 F384 | I285-A287 VanDerWaalsContact C-N 3.34Å; I285-A287 PolarHBondContact O-N 2.91Å; I285-V288 PolarHBondContact O-N 2.84Å; I285-I289 HydrophobicContact CD1-CD1 4.04Å; I285-I289 HydrophobicContact CD1-CG1 4.27Å; I285-I289 HydrophobicContact CG1-CD1 3.98Å; I285-I289 VanDerWaalsContact O-CG1 3.29Å; I285-I289 WeakPolarHBondContact O-CG1 3.42Å; I285-I289 PolarHBondContact O-N 3.38Å; I285-Y380 HydrophobicContact CB-CE1 4.17Å; I285-Y380 HydrophobicContact CD1-CD1 4.27Å; I285-Y380 HydrophobicContact CD1-CE1 3.66Å; I285-Y380 PolarHBondContact N-OH 3.48Å; I285-I381 HydrophobicContact CD1-CG1 4.47Å; I285-F384 HydrophobicContact CB-CD2 4.1Å; I285-F384 HydrophobicContact CB-CE2 3.85Å; I285-F384 HydrophobicContact CB-CZ 4.2Å; I285-F384 HydrophobicContact CD1-CD1 4.26Å; I285-F384 HydrophobicContact CD1-CD2 4.4Å; I285-F384 HydrophobicContact CD1-CG 4.14Å; I285-F384 HydrophobicContact CG1-CD1 4.38Å; I285-F384 HydrophobicContact CG1-CD2 4.35Å; I285-F384 HydrophobicContact CG1-CE1 4.28Å; I285-F384 HydrophobicContact CG1-CE2 4.25Å; I285-F384 HydrophobicContact CG1-CG 4.42Å; I285-F384 HydrophobicContact CG1-CZ 4.21Å; I285-F384 HydrophobicContact CG2-CE2 3.96Å; I285-F384 HydrophobicContact CG2-CZ 4.05Å |
| 286 | N | 85.4 | Confident | 90.6 | Very high | 49 Ų | 49 | 20.6 Ų | 20.6 | 26% | 0.262 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -66.2 | -37.3 | 177.2 | -66.4 | -25.2 | 0 | 0 | 0 | 111.9 | G284 T290 N420 V423 | G284-N286 VanDerWaalsContact C-N 3.3Å; G284-N286 PolarHBondContact O-N 3.29Å; N286-T290 WeakPolarHBondContact O-CB 3.25Å; N286-T290 PolarHBondContact O-N 3.15Å; N286-T290 PolarHBondContact O-OG1 3.11Å; N286-N420 PolarHBondContact ND2-OD1 3.46Å; N286-V423 HydrophobicContact CB-CG1 3.99Å |
| 287 | A | 86.5 | Confident | 90.1 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.4 | -46.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G284 I285 T290 Y291 Y427 F439 F442 | G284-A287 WeakPolarHBondContact O-CA 3.43Å; G284-A287 WeakPolarHBondContact O-CB 3.22Å; G284-A287 PolarHBondContact O-N 3.45Å; I285-A287 VanDerWaalsContact C-N 3.34Å; I285-A287 PolarHBondContact O-N 2.91Å; A287-T290 PolarHBondContact O-N 3.44Å; A287-Y291 PolarHBondContact O-N 2.91Å; A287-Y427 HydrophobicContact CB-CD2 3.76Å; A287-Y427 HydrophobicContact CB-CE1 4.27Å; A287-Y427 HydrophobicContact CB-CE2 3.23Å; A287-Y427 HydrophobicContact CB-CG 4.43Å; A287-Y427 PolarHBondContact O-OH 2.92Å; A287-F439 HydrophobicContact CB-CE1 4.29Å; A287-F442 HydrophobicContact CB-CD2 4.28Å; A287-F442 HydrophobicContact CB-CE2 3.67Å; A287-F442 HydrophobicContact CB-CZ 4.2Å |
| 288 | V | 90.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.6 | -45.6 | 176.6 | 167.9 | 0 | 0 | 0 | 0 | 111.1 | G284 I285 T290 Y291 S292 L348 L351 I377 Y380 F439 | G284-V288 WeakPolarHBondContact O-CG2 3.26Å; G284-V288 PolarHBondContact O-N 2.93Å; I285-V288 PolarHBondContact O-N 2.84Å; V288-T290 VanDerWaalsContact C-N 3.33Å; V288-T290 PolarHBondContact O-N 2.7Å; V288-Y291 PolarHBondContact O-N 2.97Å; V288-S292 PolarHBondContact O-N 2.94Å; V288-L348 HydrophobicContact CG2-CD2 4.04Å; V288-L351 HydrophobicContact CG2-CD1 4.32Å; V288-I377 HydrophobicContact CG1-CB 4.29Å; V288-I377 HydrophobicContact CG1-CG1 4.09Å; V288-I377 HydrophobicContact CG1-CG2 3.8Å; V288-Y380 HydrophobicContact CB-CD1 4.06Å; V288-Y380 HydrophobicContact CB-CE1 4.07Å; V288-Y380 HydrophobicContact CG1-CD1 3.68Å; V288-Y380 HydrophobicContact CG1-CE1 4.18Å; V288-Y380 HydrophobicContact CG1-CG 4.16Å; V288-Y380 HydrophobicContact CG2-CD1 3.95Å; V288-Y380 HydrophobicContact CG2-CD2 4.14Å; V288-Y380 HydrophobicContact CG2-CE1 3.91Å; V288-Y380 HydrophobicContact CG2-CE2 4.06Å; V288-Y380 HydrophobicContact CG2-CG 4.09Å; V288-F439 HydrophobicContact CG2-CD1 4.47Å; V288-F439 HydrophobicContact CG2-CE1 4.07Å |
| 289 | I | 87.1 | Confident | 89.3 | Confident | 62 Ų | 62 | 27.2 Ų | 27.2 | 32% | 0.318 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -61.5 | -43.4 | 175.5 | -68.7 | 168.4 | 0 | 0 | 0 | 110.5 | I285 S292 | I285-I289 HydrophobicContact CD1-CD1 4.04Å; I285-I289 HydrophobicContact CD1-CG1 4.27Å; I285-I289 HydrophobicContact CG1-CD1 3.98Å; I285-I289 VanDerWaalsContact O-CG1 3.29Å; I285-I289 WeakPolarHBondContact O-CG1 3.42Å; I285-I289 PolarHBondContact O-N 3.38Å; I289-S292 WeakPolarHBondContact O-CB 3.38Å; I289-S292 PolarHBondContact O-N 2.77Å; I289-S292 PolarHBondContact O-OG 3.43Å |
| 290 | T | 82.6 | Confident | 88.8 | Confident | 74 Ų | 74 | 29.3 Ų | 29.3 | 45% | 0.454 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.2 | -41.7 | 179.1 | -55.3 | 0 | 0 | 0 | 0 | 112.3 | N286 A287 V288 S292 Y427 | N286-T290 WeakPolarHBondContact O-CB 3.25Å; N286-T290 PolarHBondContact O-N 3.15Å; N286-T290 PolarHBondContact O-OG1 3.11Å; A287-T290 PolarHBondContact O-N 3.44Å; V288-T290 VanDerWaalsContact C-N 3.33Å; V288-T290 PolarHBondContact O-N 2.7Å; T290-S292 VanDerWaalsContact C-N 3.27Å; T290-S292 PolarHBondContact O-N 3.47Å; T290-Y427 HydrophobicContact CG2-CE1 4.03Å |
| 291 | Y | 84.7 | Confident | 88.4 | Confident | 5 Ų | 5 | 31.6 Ų | 31.6 | 2% | 0.02 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70.1 | -21.4 | 175.1 | -100.5 | -99.1 | 0 | 0 | 0 | 113.5 | A287 V288 S293 L294 M295 V355 Y427 Q431 G435 F439 | A287-Y291 PolarHBondContact O-N 2.91Å; V288-Y291 PolarHBondContact O-N 2.97Å; Y291-S293 VanDerWaalsContact C-N 3.27Å; Y291-S293 PolarHBondContact O-N 3.42Å; Y291-L294 HydrophobicContact CD1-CD2 4.02Å; Y291-L294 HydrophobicContact CE1-CD2 3.86Å; Y291-L294 PolarHBondContact O-N 3.43Å; Y291-L294 VanDerWaalsContact O-N 3.12Å; Y291-M295 HydrophobicContact CD1-CE 3.93Å; Y291-M295 HydrophobicContact CE1-CE 4.38Å; Y291-M295 WeakPolarHBondContact O-CG 3.28Å; Y291-M295 PolarHBondContact O-N 3Å; Y291-V355 HydrophobicContact CD1-CG1 4.26Å; Y291-V355 HydrophobicContact CE1-CG1 3.7Å; Y291-Y427 WeakPolarHBondContact CD2-OH 2.96Å; Y291-Y427 WeakPolarHBondContact CE2-OH 3.37Å; Y291-Q431 HydrophobicContact CE2-CG 3.89Å; Y291-Q431 VanDerWaalsContact CE2-NE2 3.33Å; Y291-G435 VanDerWaalsContact OH-C 3.29Å; Y291-G435 PolarHBondContact OH-O 2.61Å; Y291-G435 VanDerWaalsContact OH-O 3.07Å; Y291-F439 HydrophobicContact CD1-CE2 4.41Å; Y291-F439 HydrophobicContact CD1-CZ 4.14Å; Y291-F439 HydrophobicContact CD2-CE1 4.31Å; Y291-F439 HydrophobicContact CD2-CE2 4.44Å; Y291-F439 AromaticContact CD2-CZ 3.69Å; Y291-F439 HydrophobicContact CD2-CZ 3.69Å; Y291-F439 HydrophobicContact CE2-CZ 4.18Å; Y291-F439 HydrophobicContact CG-CE2 4.34Å; Y291-F439 AromaticContact CG-CZ 3.65Å; Y291-F439 HydrophobicContact CG-CZ 3.65Å |
| 292 | S | 87.8 | Confident | 88.2 | Confident | 8 Ų | 8 | 34.1 Ų | 34.1 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.4 | -40 | -175.5 | 72.5 | 0 | 0 | 0 | 0 | 112.9 | V288 I289 T290 M295 L296 | V288-S292 PolarHBondContact O-N 2.94Å; I289-S292 WeakPolarHBondContact O-CB 3.38Å; I289-S292 PolarHBondContact O-N 2.77Å; I289-S292 PolarHBondContact O-OG 3.43Å; T290-S292 VanDerWaalsContact C-N 3.27Å; T290-S292 PolarHBondContact O-N 3.47Å; S292-M295 PolarHBondContact O-N 3.39Å; S292-L296 WeakPolarHBondContact O-CB 3.36Å; S292-L296 WeakPolarHBondContact O-CD1 3.28Å; S292-L296 WeakPolarHBondContact O-CG 3.46Å; S292-L296 PolarHBondContact O-N 2.91Å |
| 293 | S | 85.5 | Confident | 87.8 | Confident | 46 Ų | 46 | 38 Ų | 38 | 32% | 0.322 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.9 | -44.3 | 176.7 | -53.4 | 0 | 0 | 0 | 0 | 112.1 | Y291 M295 L296 E297 | Y291-S293 VanDerWaalsContact C-N 3.27Å; Y291-S293 PolarHBondContact O-N 3.42Å; S293-M295 PolarHBondContact O-N 2.72Å; S293-L296 WeakPolarHBondContact O-CB 3.34Å; S293-L296 PolarHBondContact O-N 2.89Å; S293-E297 PolarHBondContact O-N 3.22Å |
| 294 | L | 84.2 | Confident | 87.4 | Confident | 61 Ų | 61 | 43.1 Ų | 43.1 | 32% | 0.319 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 177.1 | 179.5 | 63.7 | 0 | 0 | 0 | 111.6 | Y291 L296 E297 L298 | Y291-L294 HydrophobicContact CD1-CD2 4.02Å; Y291-L294 HydrophobicContact CE1-CD2 3.86Å; Y291-L294 PolarHBondContact O-N 3.43Å; Y291-L294 VanDerWaalsContact O-N 3.12Å; L294-L296 VanDerWaalsContact C-N 3.34Å; L294-E297 PolarHBondContact O-N 2.86Å; L294-L298 WeakPolarHBondContact O-CG 3.42Å; L294-L298 PolarHBondContact O-N 3.13Å |
| 295 | M | 87.7 | Confident | 87.5 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.1 | -32.9 | 178.6 | -63.6 | -60 | 94.7 | 0 | 0 | 112.4 | Y291 S292 S293 L298 A299 V355 S373 I374 I377 | Y291-M295 HydrophobicContact CD1-CE 3.93Å; Y291-M295 HydrophobicContact CE1-CE 4.38Å; Y291-M295 WeakPolarHBondContact O-CG 3.28Å; Y291-M295 PolarHBondContact O-N 3Å; S292-M295 PolarHBondContact O-N 3.39Å; S293-M295 PolarHBondContact O-N 2.72Å; M295-L298 HydrophobicContact CE-CD1 3.46Å; M295-L298 VanDerWaalsContact CE-CD1 3.46Å; M295-L298 HydrophobicContact CE-CG 4.31Å; M295-L298 HydrophobicContact SD-CD1 4.46Å; M295-A299 WeakPolarHBondContact O-CB 3.35Å; M295-A299 PolarHBondContact O-N 3.25Å; M295-V355 HydrophobicContact CE-CG1 4.35Å; M295-V355 HydrophobicContact CE-CG2 4.39Å; M295-V355 HydrophobicContact SD-CG2 3.62Å; M295-S373 VanDerWaalsContact SD-CB 3.6Å; M295-I374 HydrophobicContact CB-CG1 4.09Å; M295-I377 HydrophobicContact CB-CD1 4.14Å; M295-I377 HydrophobicContact CG-CD1 3.94Å |
| 296 | L | 89.3 | Confident | 87.4 | Confident | 13 Ų | 13 | 51.1 Ų | 51.1 | 7% | 0.068 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.4 | -46 | 171.4 | -74.6 | 163.6 | 0 | 0 | 0 | 111.5 | S292 S293 L294 A299 I301 L306 C309 I374 | S292-L296 WeakPolarHBondContact O-CB 3.36Å; S292-L296 WeakPolarHBondContact O-CD1 3.28Å; S292-L296 WeakPolarHBondContact O-CG 3.46Å; S292-L296 PolarHBondContact O-N 2.91Å; S293-L296 WeakPolarHBondContact O-CB 3.34Å; S293-L296 PolarHBondContact O-N 2.89Å; L294-L296 VanDerWaalsContact C-N 3.34Å; L296-A299 PolarHBondContact O-N 3.03Å; L296-I301 HydrophobicContact CB-CB 4.44Å; L296-I301 HydrophobicContact CD2-CG1 4.15Å; L296-I301 VanDerWaalsContact O-CB 3.27Å; L296-I301 WeakPolarHBondContact O-CB 3.37Å; L296-I301 WeakPolarHBondContact O-CG1 3.44Å; L296-I301 PolarHBondContact O-N 2.93Å; L296-I301 VanDerWaalsContact O-N 3.09Å; L296-L306 HydrophobicContact CB-CD1 4.32Å; L296-L306 HydrophobicContact CD1-CD1 3.68Å; L296-C309 HydrophobicContact CD1-CB 3.6Å; L296-C309 HydrophobicContact CD2-CB 3.96Å; L296-C309 HydrophobicContact CG-CB 4.47Å; L296-I374 HydrophobicContact CD2-CD1 3.78Å; L296-I374 HydrophobicContact CD2-CG1 4.2Å; L296-I374 HydrophobicContact CG-CD1 4.29Å; L296-I374 HydrophobicContact CG-CG1 4.39Å |
| 297 | E | 87.3 | Confident | 87.7 | Confident | 121 Ų | 121 | 49.8 Ų | 49.8 | 57% | 0.565 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62 | -47.3 | 175.9 | -172.4 | -174.5 | 169.1 | 0 | 0 | 111.5 | S293 L294 A299 G300 | S293-E297 PolarHBondContact O-N 3.22Å; L294-E297 PolarHBondContact O-N 2.86Å; E297-A299 PolarHBondContact O-N 3.38Å; E297-G300 WeakPolarHBondContact O-CA 3.4Å; E297-G300 PolarHBondContact O-N 3.05Å |
| 298 | L | 85.8 | Confident | 88.2 | Confident | 40 Ų | 40 | 54.8 Ų | 54.8 | 21% | 0.209 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.9 | -24.7 | 177.4 | -72.1 | -172.6 | 0 | 0 | 0 | 113.8 | L294 M295 G300 A358 N367 | L294-L298 WeakPolarHBondContact O-CG 3.42Å; L294-L298 PolarHBondContact O-N 3.13Å; M295-L298 HydrophobicContact CE-CD1 3.46Å; M295-L298 VanDerWaalsContact CE-CD1 3.46Å; M295-L298 HydrophobicContact CE-CG 4.31Å; M295-L298 HydrophobicContact SD-CD1 4.46Å; L298-G300 PolarHBondContact O-N 2.93Å; L298-A358 HydrophobicContact CD1-CB 4.23Å; L298-N367 WeakPolarHBondContact O-CA 3.43Å; L298-N367 PolarHBondContact O-OD1 3.49Å |
| 299 | A | 88.1 | Confident | 88.3 | Confident | 10 Ų | 10 | 56.1 Ų | 56.1 | 8% | 0.083 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 0.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | M295 L296 E297 I301 N367 I371 I374 | M295-A299 WeakPolarHBondContact O-CB 3.35Å; M295-A299 PolarHBondContact O-N 3.25Å; L296-A299 PolarHBondContact O-N 3.03Å; E297-A299 PolarHBondContact O-N 3.38Å; A299-I301 HydrophobicContact CB-CG1 4.49Å; A299-N367 PolarHBondContact O-OD1 3.48Å; A299-I371 HydrophobicContact CB-CG1 3.85Å; A299-I374 HydrophobicContact CB-CD1 3.36Å |
| 300 | G | 87 | Confident | 88.5 | Confident | 46 Ų | 46 | 54 Ų | 54 | 47% | 0.474 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 18.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E297 L298 P302 N367 | E297-G300 WeakPolarHBondContact O-CA 3.4Å; E297-G300 PolarHBondContact O-N 3.05Å; L298-G300 PolarHBondContact O-N 2.93Å; G300-P302 VanDerWaalsContact O-CD 3.28Å; G300-P302 WeakPolarHBondContact O-CD 3.24Å; G300-N367 PolarHBondContact N-OD1 3.22Å |
| 301 | I | 89.1 | Confident | 89.2 | Confident | 61 Ų | 61 | 53.2 Ų | 53.2 | 31% | 0.313 | 29% | 0.286 | S | S | . | . | trans | -75.6 | 118.8 | 173.5 | -57.4 | -60.3 | 0 | 0 | 0 | 108.5 | L296 A299 | L296-I301 HydrophobicContact CB-CB 4.44Å; L296-I301 HydrophobicContact CD2-CG1 4.15Å; L296-I301 VanDerWaalsContact O-CB 3.27Å; L296-I301 WeakPolarHBondContact O-CB 3.37Å; L296-I301 WeakPolarHBondContact O-CG1 3.44Å; L296-I301 PolarHBondContact O-N 2.93Å; L296-I301 VanDerWaalsContact O-N 3.09Å; A299-I301 HydrophobicContact CB-CG1 4.49Å | ||
| 302 | P | 89.3 | Confident | 89.7 | Confident | 70 Ų | 70 | 55.5 Ų | 55.5 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | trans | -62.3 | 145.9 | 177.5 | -20.4 | 30.6 | 0 | 0 | 0 | 112.2 | G300 V304 Y305 | G300-P302 VanDerWaalsContact O-CD 3.28Å; G300-P302 WeakPolarHBondContact O-CD 3.24Å; P302-V304 PolarHBondContact O-N 3.09Å; P302-Y305 HydrophobicContact CB-CD2 3.99Å; P302-Y305 HydrophobicContact CB-CE2 4.44Å; P302-Y305 HydrophobicContact CG-CD2 3.93Å; P302-Y305 HydrophobicContact CG-CE2 4.16Å; P302-Y305 PolarHBondContact O-N 3.47Å | ||
| 303 | D | 85.7 | Confident | 89.9 | Confident | 115 Ų | 115 | 56.5 Ų | 56.5 | 62% | 0.615 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -51.1 | -32.9 | 179.8 | -69.8 | -10.2 | 0 | 0 | 0 | 114.3 | Y305 L306 | D303-Y305 PolarHBondContact O-N 3.27Å; D303-Y305 VanDerWaalsContact O-N 3.16Å; D303-L306 VanDerWaalsContact O-CB 3.28Å; D303-L306 WeakPolarHBondContact O-CB 3.43Å; D303-L306 PolarHBondContact O-N 3.41Å; D303-L306 VanDerWaalsContact O-N 3.07Å |
| 304 | V | 88.3 | Confident | 90.3 | Very high | 108 Ų | 108 | 54.4 Ų | 54.4 | 66% | 0.655 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -58.5 | -29.1 | 177.8 | -177.4 | 0 | 0 | 0 | 0 | 111.6 | P302 | P302-V304 PolarHBondContact O-N 3.09Å |
| 305 | Y | 92.8 | Very high | 91 | Very high | 134 Ų | 134 | 54 Ų | 54 | 53% | 0.525 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -90.9 | -11.9 | -179.9 | -64 | -72.9 | 0 | 0 | 0 | 114.4 | P302 D303 Q307 Y308 C309 | P302-Y305 HydrophobicContact CB-CD2 3.99Å; P302-Y305 HydrophobicContact CB-CE2 4.44Å; P302-Y305 HydrophobicContact CG-CD2 3.93Å; P302-Y305 HydrophobicContact CG-CE2 4.16Å; P302-Y305 PolarHBondContact O-N 3.47Å; D303-Y305 PolarHBondContact O-N 3.27Å; D303-Y305 VanDerWaalsContact O-N 3.16Å; Y305-Q307 VanDerWaalsContact C-N 3.28Å; Y305-Q307 PolarHBondContact O-N 2.93Å; Y305-Y308 HydrophobicContact CD1-CD2 4.16Å; Y305-Y308 HydrophobicContact CD1-CE2 4.49Å; Y305-Y308 PolarHBondContact O-N 3.41Å; Y305-C309 PolarHBondContact O-N 2.85Å; Y305-C309 VanDerWaalsContact O-N 3.15Å |
| 306 | L | 90 | Very high | 91.4 | Very high | 51 Ų | 51 | 56.2 Ų | 56.2 | 27% | 0.267 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -55.9 | -42.2 | -174 | -178.9 | 61.5 | 0 | 0 | 0 | 112.4 | L296 D303 Y308 C309 V310 | L296-L306 HydrophobicContact CB-CD1 4.32Å; L296-L306 HydrophobicContact CD1-CD1 3.68Å; D303-L306 VanDerWaalsContact O-CB 3.28Å; D303-L306 WeakPolarHBondContact O-CB 3.43Å; D303-L306 PolarHBondContact O-N 3.41Å; D303-L306 VanDerWaalsContact O-N 3.07Å; L306-Y308 VanDerWaalsContact C-N 3.3Å; L306-Y308 PolarHBondContact O-N 3.22Å; L306-C309 WeakPolarHBondContact O-CB 3.35Å; L306-C309 PolarHBondContact O-N 2.94Å; L306-V310 HydrophobicContact CD1-CG2 4.33Å; L306-V310 HydrophobicContact CG-CG2 4.47Å; L306-V310 WeakPolarHBondContact O-CG2 3.44Å; L306-V310 PolarHBondContact O-N 3.12Å |
| 307 | Q | 93.1 | Very high | 91.7 | Very high | 21 Ų | 21 | 56.8 Ų | 56.8 | 10% | 0.098 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.4 | -38.1 | 178.4 | 63.2 | -179.6 | -19.3 | 0 | 0 | 112.6 | L37 F174 T175 Y305 F311 | L37-Q307 HydrophobicContact CD1-CB 4.27Å; L37-Q307 HydrophobicContact CD2-CB 4.28Å; F174-Q307 HydrophobicContact CD1-CB 3.96Å; F174-Q307 HydrophobicContact CD1-CG 3.87Å; F174-Q307 HydrophobicContact CE1-CB 4.04Å; F174-Q307 HydrophobicContact CE1-CG 3.99Å; T175-Q307 PolarHBondContact OG1-NE2 3.47Å; T175-Q307 VanDerWaalsContact OG1-NE2 3.08Å; T175-Q307 PolarHBondContact OG1-OE1 2.91Å; Y305-Q307 VanDerWaalsContact C-N 3.28Å; Y305-Q307 PolarHBondContact O-N 2.93Å; Q307-F311 WeakPolarHBondContact O-CB 3.37Å; Q307-F311 PolarHBondContact O-N 3.2Å |
| 308 | Y | 95.6 | Very high | 92.2 | Very high | 104 Ų | 104 | 52.5 Ų | 52.5 | 41% | 0.408 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -71.5 | -35.9 | 178.3 | -57.3 | -76.1 | 0 | 0 | 0 | 111.2 | F174 Y305 L306 F311 A312 | F174-Y308 AromaticContact CE1-CD1 3.94Å; F174-Y308 HydrophobicContact CE1-CD1 3.94Å; F174-Y308 HydrophobicContact CE1-CE1 4.28Å; F174-Y308 AromaticContact CZ-CD1 3.97Å; F174-Y308 HydrophobicContact CZ-CD1 3.97Å; F174-Y308 HydrophobicContact CZ-CE1 4.38Å; Y305-Y308 HydrophobicContact CD1-CD2 4.16Å; Y305-Y308 HydrophobicContact CD1-CE2 4.49Å; Y305-Y308 PolarHBondContact O-N 3.41Å; L306-Y308 VanDerWaalsContact C-N 3.3Å; L306-Y308 PolarHBondContact O-N 3.22Å; Y308-F311 PolarHBondContact O-N 3.37Å; Y308-A312 VanDerWaalsContact O-CB 3.3Å; Y308-A312 WeakPolarHBondContact O-CB 3.44Å; Y308-A312 PolarHBondContact O-N 2.81Å |
| 309 | C | 93.6 | Very high | 92.8 | Very high | 29 Ų | 29 | 55.1 Ų | 55.1 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.1 | -46 | 174.4 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | L296 Y305 L306 F311 A312 I313 | L296-C309 HydrophobicContact CD1-CB 3.6Å; L296-C309 HydrophobicContact CD2-CB 3.96Å; L296-C309 HydrophobicContact CG-CB 4.47Å; Y305-C309 PolarHBondContact O-N 2.85Å; Y305-C309 VanDerWaalsContact O-N 3.15Å; L306-C309 WeakPolarHBondContact O-CB 3.35Å; L306-C309 PolarHBondContact O-N 2.94Å; C309-F311 VanDerWaalsContact C-N 3.33Å; C309-F311 PolarHBondContact O-N 3.15Å; C309-A312 PolarHBondContact O-N 3.28Å; C309-I313 WeakPolarHBondContact O-CG1 3.36Å; C309-I313 PolarHBondContact O-N 3.38Å |
| 310 | V | 92 | Very high | 93.3 | Very high | 18 Ų | 18 | 55.4 Ų | 55.4 | 11% | 0.109 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 176.1 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | L37 Y170 L306 I313 G314 | L37-V310 HydrophobicContact CD2-CB 4Å; L37-V310 HydrophobicContact CD2-CG1 3.88Å; L37-V310 HydrophobicContact CD2-CG2 4.26Å; L37-V310 HydrophobicContact CG-CG1 4.47Å; Y170-V310 HydrophobicContact CD1-CG1 4.21Å; Y170-V310 HydrophobicContact CD2-CG1 3.7Å; Y170-V310 WeakPolarHBondContact CD2-O 3.37Å; Y170-V310 HydrophobicContact CE1-CG1 4.18Å; Y170-V310 HydrophobicContact CE2-CG1 3.64Å; Y170-V310 HydrophobicContact CG-CG1 3.98Å; L306-V310 HydrophobicContact CD1-CG2 4.33Å; L306-V310 HydrophobicContact CG-CG2 4.47Å; L306-V310 WeakPolarHBondContact O-CG2 3.44Å; L306-V310 PolarHBondContact O-N 3.12Å; V310-I313 PolarHBondContact O-N 3.44Å; V310-G314 PolarHBondContact O-N 3.33Å |
| 311 | F | 95.3 | Very high | 93.7 | Very high | 56 Ų | 56 | 53.3 Ų | 53.3 | 25% | 0.246 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 173.6 | 175.2 | -113.5 | 0 | 0 | 0 | 112.2 | F171 F174 Q307 Y308 C309 I313 G314 V315 | F171-F311 HydrophobicContact CB-CD2 4.1Å; F171-F311 HydrophobicContact CB-CE2 3.69Å; F171-F311 HydrophobicContact CB-CZ 4.44Å; F171-F311 HydrophobicContact CD2-CE2 4.36Å; F171-F311 HydrophobicContact CD2-CZ 4.33Å; F171-F311 HydrophobicContact CG-CE2 4.46Å; F174-F311 HydrophobicContact CE1-CB 3.98Å; F174-F311 HydrophobicContact CE1-CG 4.46Å; F174-F311 HydrophobicContact CE2-CD1 4.25Å; F174-F311 HydrophobicContact CE2-CG 4.2Å; F174-F311 HydrophobicContact CZ-CB 3.58Å; F174-F311 AromaticContact CZ-CD1 3.73Å; F174-F311 HydrophobicContact CZ-CD1 3.73Å; F174-F311 HydrophobicContact CZ-CD2 4.31Å; F174-F311 AromaticContact CZ-CG 3.6Å; F174-F311 HydrophobicContact CZ-CG 3.6Å; Q307-F311 WeakPolarHBondContact O-CB 3.37Å; Q307-F311 PolarHBondContact O-N 3.2Å; Y308-F311 PolarHBondContact O-N 3.37Å; C309-F311 VanDerWaalsContact C-N 3.33Å; C309-F311 PolarHBondContact O-N 3.15Å; F311-I313 VanDerWaalsContact C-N 3.31Å; F311-I313 PolarHBondContact O-N 3.01Å; F311-G314 CarbonylContact O-C 3.59Å; F311-G314 WeakPolarHBondContact O-CA 3.4Å; F311-G314 PolarHBondContact O-N 2.94Å; F311-V315 HydrophobicContact CD1-CG2 4.29Å; F311-V315 HydrophobicContact CD2-CG2 4.2Å; F311-V315 HydrophobicContact CE1-CG2 3.81Å; F311-V315 HydrophobicContact CE2-CG2 3.67Å; F311-V315 HydrophobicContact CG-CG2 4.48Å; F311-V315 HydrophobicContact CZ-CG2 3.47Å; F311-V315 VanDerWaalsContact CZ-CG2 3.47Å; F311-V315 WeakPolarHBondContact O-CG2 3.4Å; F311-V315 PolarHBondContact O-N 2.88Å |
| 312 | A | 95.4 | Very high | 94 | Very high | 54 Ų | 54 | 53.9 Ų | 53.9 | 45% | 0.446 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.4 | -39.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y308 C309 G314 V315 L316 | Y308-A312 VanDerWaalsContact O-CB 3.3Å; Y308-A312 WeakPolarHBondContact O-CB 3.44Å; Y308-A312 PolarHBondContact O-N 2.81Å; C309-A312 PolarHBondContact O-N 3.28Å; A312-G314 VanDerWaalsContact C-N 3.34Å; A312-V315 PolarHBondContact O-N 3.48Å; A312-L316 WeakPolarHBondContact O-CB 3.15Å; A312-L316 PolarHBondContact O-N 3.18Å |
| 313 | I | 93.4 | Very high | 94.3 | Very high | 28 Ų | 28 | 54.1 Ų | 54.1 | 14% | 0.144 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 172.1 | -70.9 | 167.3 | 0 | 0 | 0 | 110.8 | C309 V310 F311 L316 N317 L378 I381 | C309-I313 WeakPolarHBondContact O-CG1 3.36Å; C309-I313 PolarHBondContact O-N 3.38Å; V310-I313 PolarHBondContact O-N 3.44Å; F311-I313 VanDerWaalsContact C-N 3.31Å; F311-I313 PolarHBondContact O-N 3.01Å; I313-L316 PolarHBondContact O-N 3.21Å; I313-N317 PolarHBondContact O-N 3.45Å; I313-L378 HydrophobicContact CG1-CD2 4.01Å; I313-I381 HydrophobicContact CG2-CD1 3.44Å; I313-I381 VanDerWaalsContact CG2-CD1 3.44Å |
| 314 | G | 94.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.7 | -45.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V310 F311 A312 N317 V318 | V310-G314 PolarHBondContact O-N 3.33Å; F311-G314 CarbonylContact O-C 3.59Å; F311-G314 WeakPolarHBondContact O-CA 3.4Å; F311-G314 PolarHBondContact O-N 2.94Å; A312-G314 VanDerWaalsContact C-N 3.34Å; G314-N317 WeakPolarHBondContact O-CB 3.45Å; G314-N317 PolarHBondContact O-N 3.45Å; G314-V318 PolarHBondContact O-N 3.25Å; G314-V318 VanDerWaalsContact O-N 3.15Å |
| 315 | V | 97.6 | Very high | 94.9 | Very high | 53 Ų | 53 | 44.9 Ų | 44.9 | 32% | 0.321 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.1 | -42.5 | 177.2 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | F311 A312 N317 V318 I319 | F311-V315 HydrophobicContact CD1-CG2 4.29Å; F311-V315 HydrophobicContact CD2-CG2 4.2Å; F311-V315 HydrophobicContact CE1-CG2 3.81Å; F311-V315 HydrophobicContact CE2-CG2 3.67Å; F311-V315 HydrophobicContact CG-CG2 4.48Å; F311-V315 HydrophobicContact CZ-CG2 3.47Å; F311-V315 VanDerWaalsContact CZ-CG2 3.47Å; F311-V315 WeakPolarHBondContact O-CG2 3.4Å; F311-V315 PolarHBondContact O-N 2.88Å; A312-V315 PolarHBondContact O-N 3.48Å; V315-N317 VanDerWaalsContact C-N 3.3Å; V315-N317 PolarHBondContact O-N 3.43Å; V315-V318 WeakPolarHBondContact O-CB 3.45Å; V315-V318 PolarHBondContact O-N 3.21Å; V315-V318 VanDerWaalsContact O-N 3.15Å; V315-I319 HydrophobicContact CG1-CD1 3.85Å; V315-I319 HydrophobicContact CG1-CG1 4.38Å; V315-I319 WeakPolarHBondContact O-CG1 3.21Å; V315-I319 PolarHBondContact O-N 2.86Å |
| 316 | L | 96.8 | Very high | 94.8 | Very high | 47 Ų | 47 | 41.5 Ų | 41.5 | 25% | 0.246 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.8 | -44.1 | 175.6 | -179.9 | 65.1 | 0 | 0 | 0 | 111.1 | A312 I313 V318 I319 V320 L378 | A312-L316 WeakPolarHBondContact O-CB 3.15Å; A312-L316 PolarHBondContact O-N 3.18Å; I313-L316 PolarHBondContact O-N 3.21Å; L316-V318 VanDerWaalsContact C-N 3.29Å; L316-V318 PolarHBondContact O-N 2.95Å; L316-I319 PolarHBondContact O-N 3.38Å; L316-V320 HydrophobicContact CD1-CG2 4.04Å; L316-V320 HydrophobicContact CG-CG2 4.32Å; L316-V320 VanDerWaalsContact O-CG2 3.28Å; L316-V320 WeakPolarHBondContact O-CG2 3.31Å; L316-V320 PolarHBondContact O-N 2.85Å; L316-L378 HydrophobicContact CD2-CB 4.24Å; L316-L378 HydrophobicContact CD2-CD2 3.71Å; L316-L378 HydrophobicContact CD2-CG 4.48Å |
| 317 | N | 95.6 | Very high | 94.9 | Very high | 25 Ų | 25 | 42 Ų | 42 | 13% | 0.134 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.3 | -41.7 | 176.3 | -170.3 | 11.5 | 0 | 0 | 0 | 111.8 | I313 G314 V315 T321 I381 A385 | I313-N317 PolarHBondContact O-N 3.45Å; G314-N317 WeakPolarHBondContact O-CB 3.45Å; G314-N317 PolarHBondContact O-N 3.45Å; V315-N317 VanDerWaalsContact C-N 3.3Å; V315-N317 PolarHBondContact O-N 3.43Å; N317-T321 VanDerWaalsContact O-CB 3.31Å; N317-T321 WeakPolarHBondContact O-CB 3.4Å; N317-T321 PolarHBondContact O-N 2.98Å; N317-T321 PolarHBondContact O-OG1 3.31Å; N317-I381 HydrophobicContact CB-CG2 4.32Å; N317-A385 WeakPolarHBondContact OD1-CB 3.35Å |
| 318 | V | 97.8 | Very high | 94.8 | Very high | 30 Ų | 30 | 41 Ų | 41 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.4 | -51.2 | 174.1 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | L160 T163 V164 A167 G314 V315 L316 V320 T321 V322 | L160-V318 HydrophobicContact CD1-CG1 4.24Å; T163-V318 WeakPolarHBondContact O-CG2 3.43Å; V164-V318 HydrophobicContact CG2-CG1 3.81Å; V164-V318 HydrophobicContact CG2-CG2 4.01Å; A167-V318 HydrophobicContact CB-CG2 3.82Å; G314-V318 PolarHBondContact O-N 3.25Å; G314-V318 VanDerWaalsContact O-N 3.15Å; V315-V318 WeakPolarHBondContact O-CB 3.45Å; V315-V318 PolarHBondContact O-N 3.21Å; V315-V318 VanDerWaalsContact O-N 3.15Å; L316-V318 VanDerWaalsContact C-N 3.29Å; L316-V318 PolarHBondContact O-N 2.95Å; V318-V320 VanDerWaalsContact C-N 3.31Å; V318-V320 PolarHBondContact O-N 3.5Å; V318-T321 PolarHBondContact O-N 3.48Å; V318-T321 VanDerWaalsContact O-N 3.16Å; V318-V322 WeakPolarHBondContact O-CG2 3.29Å; V318-V322 PolarHBondContact O-N 2.89Å |
| 319 | I | 98.1 | Very high | 94.5 | Very high | 96 Ų | 96 | 38 Ų | 38 | 49% | 0.492 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -57 | -47.2 | -178.5 | -68.8 | 168.5 | 0 | 0 | 0 | 110.5 | V315 L316 T321 V322 V323 | V315-I319 HydrophobicContact CG1-CD1 3.85Å; V315-I319 HydrophobicContact CG1-CG1 4.38Å; V315-I319 WeakPolarHBondContact O-CG1 3.21Å; V315-I319 PolarHBondContact O-N 2.86Å; L316-I319 PolarHBondContact O-N 3.38Å; I319-T321 VanDerWaalsContact C-N 3.33Å; I319-T321 PolarHBondContact O-N 3.33Å; I319-V322 WeakPolarHBondContact O-CB 3.46Å; I319-V322 PolarHBondContact O-N 3.05Å; I319-V323 WeakPolarHBondContact O-CG2 3.49Å; I319-V323 PolarHBondContact O-N 3.14Å |
| 320 | V | 97.8 | Very high | 94.3 | Very high | 16 Ų | 16 | 46.4 Ų | 46.4 | 10% | 0.097 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69 | -34.7 | -178.8 | 179.6 | 0 | 0 | 0 | 0 | 111.6 | L316 V318 V322 V323 S324 C382 A385 L386 | L316-V320 HydrophobicContact CD1-CG2 4.04Å; L316-V320 HydrophobicContact CG-CG2 4.32Å; L316-V320 VanDerWaalsContact O-CG2 3.28Å; L316-V320 WeakPolarHBondContact O-CG2 3.31Å; L316-V320 PolarHBondContact O-N 2.85Å; V318-V320 VanDerWaalsContact C-N 3.31Å; V318-V320 PolarHBondContact O-N 3.5Å; V320-V322 VanDerWaalsContact C-N 3.32Å; V320-V322 PolarHBondContact O-N 2.93Å; V320-V323 CarbonylContact O-C 3.57Å; V320-V323 WeakPolarHBondContact O-CB 2.93Å; V320-V323 PolarHBondContact O-N 3.1Å; V320-S324 PolarHBondContact O-N 3.4Å; V320-C382 HydrophobicContact CG1-CB 4.39Å; V320-C382 WeakPolarHBondContact CG1-O 3.15Å; V320-C382 HydrophobicContact CG2-CB 4.2Å; V320-A385 HydrophobicContact CB-CB 3.92Å; V320-A385 HydrophobicContact CG1-CB 3.68Å; V320-L386 HydrophobicContact CG1-CD1 4.39Å; V320-L386 HydrophobicContact CG1-CD2 3.75Å; V320-L386 HydrophobicContact CG1-CG 3.53Å |
| 321 | T | 96.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.2 | -33.8 | 173.3 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | Q159 L160 T163 N317 V318 I319 V323 S324 L325 | Q159-T321 HydrophobicContact CG-CG2 4.42Å; L160-T321 HydrophobicContact CB-CG2 3.96Å; L160-T321 HydrophobicContact CD1-CG2 4.06Å; T163-T321 HydrophobicContact CG2-CG2 4.43Å; N317-T321 VanDerWaalsContact O-CB 3.31Å; N317-T321 WeakPolarHBondContact O-CB 3.4Å; N317-T321 PolarHBondContact O-N 2.98Å; N317-T321 PolarHBondContact O-OG1 3.31Å; V318-T321 PolarHBondContact O-N 3.48Å; V318-T321 VanDerWaalsContact O-N 3.16Å; I319-T321 VanDerWaalsContact C-N 3.33Å; I319-T321 PolarHBondContact O-N 3.33Å; T321-V323 VanDerWaalsContact C-N 3.34Å; T321-S324 PolarHBondContact O-N 3.43Å; T321-S324 PolarHBondContact O-OG 2.95Å; T321-L325 PolarHBondContact O-N 2.8Å |
| 322 | V | 96.1 | Very high | 94 | Very high | 74 Ų | 74 | 44.9 Ų | 44.9 | 45% | 0.448 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.2 | -40.5 | 170.6 | 173 | 0 | 0 | 0 | 0 | 111.1 | L160 V318 I319 V320 S324 L325 P326 | L160-V322 HydrophobicContact CD1-CG2 3.62Å; L160-V322 HydrophobicContact CD2-CG2 4.2Å; V318-V322 WeakPolarHBondContact O-CG2 3.29Å; V318-V322 PolarHBondContact O-N 2.89Å; I319-V322 WeakPolarHBondContact O-CB 3.46Å; I319-V322 PolarHBondContact O-N 3.05Å; V320-V322 VanDerWaalsContact C-N 3.32Å; V320-V322 PolarHBondContact O-N 2.93Å; V322-S324 VanDerWaalsContact C-N 3.29Å; V322-S324 PolarHBondContact O-N 3.35Å; V322-L325 PolarHBondContact O-N 3.16Å; V322-P326 WeakPolarHBondContact O-CD 3.48Å |
| 323 | V | 95.1 | Very high | 93.9 | Very high | 74 Ų | 74 | 42.5 Ų | 42.5 | 45% | 0.448 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.2 | -31.6 | 174.9 | 173.7 | 0 | 0 | 0 | 0 | 111.9 | I319 V320 T321 L325 P326 L327 L386 | I319-V323 WeakPolarHBondContact O-CG2 3.49Å; I319-V323 PolarHBondContact O-N 3.14Å; V320-V323 CarbonylContact O-C 3.57Å; V320-V323 WeakPolarHBondContact O-CB 2.93Å; V320-V323 PolarHBondContact O-N 3.1Å; T321-V323 VanDerWaalsContact C-N 3.34Å; V323-L325 VanDerWaalsContact C-N 3.35Å; V323-L325 PolarHBondContact O-N 3.26Å; V323-P326 VanDerWaalsContact O-CD 3.28Å; V323-P326 WeakPolarHBondContact O-CD 3.47Å; V323-P326 WeakPolarHBondContact O-CG 3.45Å; V323-L327 HydrophobicContact CG1-CD1 4.05Å; V323-L327 WeakPolarHBondContact O-CG 3.27Å; V323-L386 HydrophobicContact CG1-CD2 4.27Å |
| 324 | S | 94.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.5 | -31.5 | 179.3 | 83.4 | 0 | 0 | 0 | 0 | 112.7 | V320 T321 V322 L327 I328 | V320-S324 PolarHBondContact O-N 3.4Å; T321-S324 PolarHBondContact O-N 3.43Å; T321-S324 PolarHBondContact O-OG 2.95Å; V322-S324 VanDerWaalsContact C-N 3.29Å; V322-S324 PolarHBondContact O-N 3.35Å; S324-L327 CarbonylContact O-C 3.49Å; S324-L327 WeakPolarHBondContact O-CA 3.49Å; S324-L327 WeakPolarHBondContact O-CB 3.34Å; S324-L327 PolarHBondContact O-N 3.41Å; S324-L327 VanDerWaalsContact O-N 3.1Å; S324-I328 VanDerWaalsContact O-CG1 3.27Å; S324-I328 WeakPolarHBondContact O-CG1 3.39Å; S324-I328 PolarHBondContact O-N 2.92Å |
| 325 | L | 91.6 | Very high | 93.9 | Very high | 30 Ų | 30 | 46.4 Ų | 46.4 | 16% | 0.157 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -52.7 | -58.1 | 179.2 | -76.6 | 162.3 | 0 | 0 | 0 | 114.5 | G153 A156 L160 T321 V322 V323 L327 I328 | G153-L325 WeakPolarHBondContact O-CD2 3.26Å; A156-L325 HydrophobicContact CB-CD2 3.59Å; L160-L325 HydrophobicContact CD2-CD1 3.72Å; T321-L325 PolarHBondContact O-N 2.8Å; V322-L325 PolarHBondContact O-N 3.16Å; V323-L325 VanDerWaalsContact C-N 3.35Å; V323-L325 PolarHBondContact O-N 3.26Å; L325-L327 VanDerWaalsContact C-N 3.26Å; L325-L327 PolarHBondContact O-N 2.91Å; L325-I328 PolarHBondContact O-N 3.5Å |
| 326 | P | 90.9 | Very high | 93.8 | Very high | 63 Ų | 63 | 44.5 Ų | 44.5 | 41% | 0.409 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.8 | -27.7 | 176.8 | 26.7 | -35.2 | 0 | 0 | 0 | 112.6 | V322 V323 E329 R330 | V322-P326 WeakPolarHBondContact O-CD 3.48Å; V323-P326 VanDerWaalsContact O-CD 3.28Å; V323-P326 WeakPolarHBondContact O-CD 3.47Å; V323-P326 WeakPolarHBondContact O-CG 3.45Å; P326-E329 PolarHBondContact O-N 2.95Å; P326-R330 WeakPolarHBondContact O-CB 2.91Å; P326-R330 VanDerWaalsContact O-CG 3.26Å; P326-R330 WeakPolarHBondContact O-CG 2.84Å; P326-R330 PolarHBondContact O-N 2.85Å; P326-R330 VanDerWaalsContact O-N 3.07Å |
| 327 | L | 92.9 | Very high | 93.8 | Very high | 62 Ų | 62 | 42.4 Ų | 42.4 | 33% | 0.325 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.7 | -36.5 | 175.6 | -68.4 | 174 | 0 | 0 | 0 | 111.6 | V323 S324 L325 E329 R330 A331 L336 L386 | V323-L327 HydrophobicContact CG1-CD1 4.05Å; V323-L327 WeakPolarHBondContact O-CG 3.27Å; S324-L327 CarbonylContact O-C 3.49Å; S324-L327 WeakPolarHBondContact O-CA 3.49Å; S324-L327 WeakPolarHBondContact O-CB 3.34Å; S324-L327 PolarHBondContact O-N 3.41Å; S324-L327 VanDerWaalsContact O-N 3.1Å; L325-L327 VanDerWaalsContact C-N 3.26Å; L325-L327 PolarHBondContact O-N 2.91Å; L327-E329 VanDerWaalsContact C-N 3.26Å; L327-E329 PolarHBondContact O-N 2.85Å; L327-R330 PolarHBondContact O-N 2.79Å; L327-R330 VanDerWaalsContact O-N 3.13Å; L327-A331 WeakPolarHBondContact O-CB 3.42Å; L327-A331 PolarHBondContact O-N 2.99Å; L327-L336 HydrophobicContact CB-CD1 4.23Å; L327-L336 HydrophobicContact CB-CD2 4.2Å; L327-L386 HydrophobicContact CD1-CD2 3.86Å |
| 328 | I | 91.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.3 | -41 | 176.9 | -73.5 | 165.9 | 0 | 0 | 0 | 110.6 | A156 S324 L325 G332 R333 L336 P390 L394 | A156-I328 HydrophobicContact CB-CD1 3.54Å; S324-I328 VanDerWaalsContact O-CG1 3.27Å; S324-I328 WeakPolarHBondContact O-CG1 3.39Å; S324-I328 PolarHBondContact O-N 2.92Å; L325-I328 PolarHBondContact O-N 3.5Å; I328-G332 PolarHBondContact O-N 2.79Å; I328-R333 PolarHBondContact O-NH1 3.33Å; I328-L336 VanDerWaalsContact CA-CD1 3.48Å; I328-L336 HydrophobicContact CB-CD1 4.06Å; I328-L336 HydrophobicContact CG1-CD1 3.35Å; I328-P390 HydrophobicContact CD1-CB 3.76Å; I328-P390 HydrophobicContact CD1-CG 3.8Å; I328-L394 HydrophobicContact CD1-CD1 4.07Å; I328-L394 HydrophobicContact CG2-CD1 3.8Å |
| 329 | E | 88.5 | Confident | 93.8 | Very high | 41 Ų | 41 | 48.8 Ų | 48.8 | 19% | 0.192 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -81.5 | -16.9 | 178 | -58 | -62 | -161.9 | 0 | 0 | 114.2 | G152 G153 P326 L327 R333 K461 | G152-E329 VanDerWaalsContact CA-OE1 3.24Å; G152-E329 WeakPolarHBondContact CA-OE1 3.48Å; G152-E329 PolarHBondContact N-OE1 3.49Å; G153-E329 PolarHBondContact N-OE1 3.38Å; P326-E329 PolarHBondContact O-N 2.95Å; L327-E329 VanDerWaalsContact C-N 3.26Å; L327-E329 PolarHBondContact O-N 2.85Å; E329-R333 IonicContact OE2-CZ 2.71Å; E329-R333 IonicContact OE2-NH1 3.38Å; E329-R333 PolarHBondContact OE2-NH1 3.21Å; E329-R333 IonicContact OE2-NH2 3.31Å; E329-K461 WeakPolarHBondContact O-CE 3.45Å; E329-K461 PolarHBondContact O-NZ 2.82Å |
| 330 | R | 90 | Very high | 93.8 | Very high | 205 Ų | 205 | 44.9 Ų | 44.9 | 77% | 0.774 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -96.6 | -58.3 | 177.8 | -70.1 | 177.1 | -178 | -170.4 | 1.3 | 112.2 | P326 L327 K461 | P326-R330 WeakPolarHBondContact O-CB 2.91Å; P326-R330 VanDerWaalsContact O-CG 3.26Å; P326-R330 WeakPolarHBondContact O-CG 2.84Å; P326-R330 PolarHBondContact O-N 2.85Å; P326-R330 VanDerWaalsContact O-N 3.07Å; L327-R330 PolarHBondContact O-N 2.79Å; L327-R330 VanDerWaalsContact O-N 3.13Å; R330-K461 PolarHBondContact O-NZ 3.07Å |
| 331 | A | 90.5 | Very high | 93.8 | Very high | 40 Ų | 40 | 44.1 Ų | 44.1 | 33% | 0.331 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -80.1 | -23.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L327 T335 L336 | L327-A331 WeakPolarHBondContact O-CB 3.42Å; L327-A331 PolarHBondContact O-N 2.99Å; A331-T335 HydrophobicContact CB-CG2 4.19Å; A331-T335 WeakPolarHBondContact O-CB 3.47Å; A331-T335 PolarHBondContact O-OG1 3.36Å; A331-L336 HydrophobicContact CB-CG 4.42Å |
| 332 | G | 89.6 | Confident | 93.9 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | trans | 87.2 | 168.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | I328 L336 E459 | I328-G332 PolarHBondContact O-N 2.79Å; G332-L336 WeakPolarHBondContact O-CG 3.33Å; G332-L336 PolarHBondContact O-N 2.76Å; G332-E459 WeakPolarHBondContact CA-OE2 3.42Å | ||
| 333 | R | 92.7 | Very high | 93.9 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.015 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -78.9 | -39.1 | -170.5 | -75.8 | 59.1 | 164 | 164.9 | -12.4 | 111 | I328 E329 L336 L337 V391 I395 E398 E459 | I328-R333 PolarHBondContact O-NH1 3.33Å; E329-R333 IonicContact OE2-CZ 2.71Å; E329-R333 IonicContact OE2-NH1 3.38Å; E329-R333 PolarHBondContact OE2-NH1 3.21Å; E329-R333 IonicContact OE2-NH2 3.31Å; R333-L336 PolarHBondContact O-N 2.89Å; R333-L337 WeakPolarHBondContact O-CB 3.32Å; R333-L337 PolarHBondContact O-N 3.46Å; R333-V391 HydrophobicContact CB-CG1 4.48Å; R333-I395 HydrophobicContact CB-CD1 4.38Å; R333-I395 HydrophobicContact CB-CG1 4.13Å; R333-I395 HydrophobicContact CG-CG1 4.47Å; R333-E398 IonicContact CZ-OE1 3.67Å; R333-E398 IonicContact NE-OE1 3.45Å; R333-E398 IonicContact NE-OE2 2.74Å; R333-E398 PolarHBondContact NE-OE2 2.91Å; R333-E398 IonicContact NH2-OE1 3.43Å; R333-E398 PolarHBondContact NH2-OE1 2.64Å; R333-E459 VanDerWaalsContact N-CD 3.32Å; R333-E459 PolarHBondContact N-OE1 3.37Å; R333-E459 PolarHBondContact N-OE2 3.08Å |
| 334 | R | 94.4 | Very high | 94 | Very high | 56 Ų | 56 | 41.3 Ų | 41.3 | 21% | 0.211 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.6 | -44.5 | -179.8 | -174.9 | -174.7 | -178.9 | -160.5 | 1.2 | 110.9 | L336 L337 L338 F454 M457 E459 | R334-L336 VanDerWaalsContact C-N 3.35Å; R334-L336 PolarHBondContact O-N 2.99Å; R334-L337 PolarHBondContact O-N 3.38Å; R334-L338 HydrophobicContact CG-CD1 3.82Å; R334-L338 HydrophobicContact CG-CG 4.43Å; R334-L338 WeakPolarHBondContact O-CG 3.47Å; R334-L338 PolarHBondContact O-N 3.06Å; R334-F454 PolarHBondContact NH2-O 2.99Å; R334-M457 WeakPolarHBondContact CD-O 3.32Å; R334-M457 PolarHBondContact NE-O 3.28Å; R334-E459 WeakPolarHBondContact CB-OE2 3.28Å; R334-E459 PolarHBondContact N-OE2 3.23Å |
| 335 | T | 94.9 | Very high | 94.2 | Very high | 57 Ų | 57 | 42 Ų | 42 | 35% | 0.35 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.1 | -44.7 | 179.1 | -52.1 | 0 | 0 | 0 | 0 | 111.6 | A331 L337 L338 W339 | A331-T335 HydrophobicContact CB-CG2 4.19Å; A331-T335 WeakPolarHBondContact O-CB 3.47Å; A331-T335 PolarHBondContact O-OG1 3.36Å; T335-L337 VanDerWaalsContact C-N 3.34Å; T335-L338 PolarHBondContact O-N 3.36Å; T335-W339 PolarHBondContact O-N 2.82Å; T335-W339 VanDerWaalsContact O-N 3.14Å |
| 336 | L | 95.2 | Very high | 94.5 | Very high | 13 Ų | 13 | 45.2 Ų | 45.2 | 7% | 0.068 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -75.8 | -19.5 | 178.5 | -68.6 | 178.4 | 0 | 0 | 0 | 113.9 | L327 I328 A331 G332 R333 R334 P340 G387 V391 | L327-L336 HydrophobicContact CB-CD1 4.23Å; L327-L336 HydrophobicContact CB-CD2 4.2Å; I328-L336 VanDerWaalsContact CA-CD1 3.48Å; I328-L336 HydrophobicContact CB-CD1 4.06Å; I328-L336 HydrophobicContact CG1-CD1 3.35Å; A331-L336 HydrophobicContact CB-CG 4.42Å; G332-L336 WeakPolarHBondContact O-CG 3.33Å; G332-L336 PolarHBondContact O-N 2.76Å; R333-L336 PolarHBondContact O-N 2.89Å; R334-L336 VanDerWaalsContact C-N 3.35Å; R334-L336 PolarHBondContact O-N 2.99Å; L336-P340 WeakPolarHBondContact O-CD 3.26Å; L336-P340 VanDerWaalsContact O-CG 3.24Å; L336-P340 WeakPolarHBondContact O-CG 3.47Å; L336-G387 WeakPolarHBondContact O-CA 3.48Å; L336-V391 HydrophobicContact CB-CG2 3.67Å; L336-V391 HydrophobicContact CD1-CG2 4.49Å |
| 337 | L | 96.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -74.3 | -43.1 | 168.3 | -178.2 | 60 | 0 | 0 | 0 | 111.2 | I276 L279 R333 R334 T335 T341 L388 V391 I395 F453 M457 | I276-L337 HydrophobicContact CD1-CD1 3.92Å; I276-L337 HydrophobicContact CD1-CD2 4.07Å; I276-L337 HydrophobicContact CG1-CD1 4.19Å; L279-L337 HydrophobicContact CD2-CD1 4.36Å; R333-L337 WeakPolarHBondContact O-CB 3.32Å; R333-L337 PolarHBondContact O-N 3.46Å; R334-L337 PolarHBondContact O-N 3.38Å; T335-L337 VanDerWaalsContact C-N 3.34Å; L337-T341 VanDerWaalsContact O-CB 3.31Å; L337-T341 WeakPolarHBondContact O-CB 3.18Å; L337-T341 PolarHBondContact O-OG1 3.41Å; L337-L388 HydrophobicContact CD1-CD2 3.75Å; L337-V391 HydrophobicContact CB-CG1 4.03Å; L337-I395 HydrophobicContact CD2-CD1 3.95Å; L337-F453 HydrophobicContact CD2-CB 3.9Å; L337-F453 HydrophobicContact CD2-CD1 3.86Å; L337-F453 HydrophobicContact CD2-CD2 4.21Å; L337-F453 HydrophobicContact CD2-CE1 4.49Å; L337-F453 HydrophobicContact CD2-CG 3.72Å; L337-M457 HydrophobicContact CD2-CG 4.1Å |
| 338 | L | 97 | Very high | 94.9 | Very high | 14 Ų | 14 | 39.4 Ų | 39.4 | 7% | 0.073 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -84 | -50.8 | -168.3 | -65.3 | 174.1 | 0 | 0 | 0 | 113.5 | R334 T335 T341 V342 W450 F453 F454 | R334-L338 HydrophobicContact CG-CD1 3.82Å; R334-L338 HydrophobicContact CG-CG 4.43Å; R334-L338 WeakPolarHBondContact O-CG 3.47Å; R334-L338 PolarHBondContact O-N 3.06Å; T335-L338 PolarHBondContact O-N 3.36Å; L338-T341 PolarHBondContact O-N 2.96Å; L338-V342 PolarHBondContact O-N 3.17Å; L338-W450 PolarHBondContact O-NE1 3.48Å; L338-F453 HydrophobicContact CD2-CB 3.95Å; L338-F454 HydrophobicContact CD1-CD2 4.13Å; L338-F454 HydrophobicContact CD2-CB 4.11Å |
| 339 | W | 96.9 | Very high | 95.2 | Very high | 176 Ų | 176 | 43 Ų | 43 | 67% | 0.667 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -72.8 | -45.8 | -170.8 | -70.5 | 118.5 | 0 | 0 | 0 | 114.2 | T335 T341 V342 S343 | T335-W339 PolarHBondContact O-N 2.82Å; T335-W339 VanDerWaalsContact O-N 3.14Å; W339-T341 PolarHBondContact O-N 2.98Å; W339-V342 HydrophobicContact CE3-CG2 4.27Å; W339-V342 WeakPolarHBondContact O-CB 3.31Å; W339-V342 PolarHBondContact O-N 3.36Å; W339-S343 PolarHBondContact O-N 3.1Å |
| 340 | P | 97.2 | Very high | 95.5 | Very high | 13 Ų | 13 | 44.4 Ų | 44.4 | 8% | 0.084 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.9 | -28.9 | 173.4 | -23 | 35.5 | 0 | 0 | 0 | 112.7 | L336 S343 L344 S383 L386 | L336-P340 WeakPolarHBondContact O-CD 3.26Å; L336-P340 VanDerWaalsContact O-CG 3.24Å; L336-P340 WeakPolarHBondContact O-CG 3.47Å; P340-S343 PolarHBondContact O-N 2.75Å; P340-L344 PolarHBondContact O-N 3.4Å; P340-S383 WeakPolarHBondContact CB-O 3.37Å; P340-L386 HydrophobicContact CB-CB 4.36Å; P340-L386 HydrophobicContact CG-CB 4.2Å |
| 341 | T | 97.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.9 | -31.4 | 173.5 | -63.8 | 0 | 0 | 0 | 0 | 113.6 | L279 L337 L338 W339 L344 A345 V446 W450 | L279-T341 HydrophobicContact CD1-CG2 4.45Å; L337-T341 VanDerWaalsContact O-CB 3.31Å; L337-T341 WeakPolarHBondContact O-CB 3.18Å; L337-T341 PolarHBondContact O-OG1 3.41Å; L338-T341 PolarHBondContact O-N 2.96Å; W339-T341 PolarHBondContact O-N 2.98Å; T341-L344 HydrophobicContact CG2-CD2 4.23Å; T341-L344 WeakPolarHBondContact O-CG 3.45Å; T341-A345 WeakPolarHBondContact O-CB 3.22Å; T341-A345 PolarHBondContact O-N 3.28Å; T341-A345 VanDerWaalsContact O-N 3.07Å; T341-V446 HydrophobicContact CG2-CG1 3.65Å; T341-W450 HydrophobicContact CG2-CB 4.21Å; T341-W450 HydrophobicContact CG2-CG 4.38Å |
| 342 | V | 97.9 | Very high | 95.9 | Very high | 47 Ų | 47 | 33.1 Ų | 33.1 | 29% | 0.285 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.9 | -46.3 | 169.6 | 178 | 0 | 0 | 0 | 0 | 110.5 | L338 W339 L344 A345 L346 W450 | L338-V342 PolarHBondContact O-N 3.17Å; W339-V342 HydrophobicContact CE3-CG2 4.27Å; W339-V342 WeakPolarHBondContact O-CB 3.31Å; W339-V342 PolarHBondContact O-N 3.36Å; V342-L344 PolarHBondContact O-N 3.25Å; V342-A345 PolarHBondContact O-N 3.48Å; V342-L346 HydrophobicContact CG1-CD1 4.2Å; V342-L346 HydrophobicContact CG1-CG 4.5Å; V342-L346 WeakPolarHBondContact O-CG 3.36Å; V342-L346 PolarHBondContact O-N 3.15Å; V342-W450 HydrophobicContact CG2-CZ2 3.94Å |
| 343 | S | 97.8 | Very high | 96.1 | Very high | 42 Ų | 42 | 36.9 Ų | 36.9 | 29% | 0.294 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.9 | -46.9 | 179.1 | -176.9 | 0 | 0 | 0 | 0 | 111.6 | W339 P340 A345 L346 S347 S383 | W339-S343 PolarHBondContact O-N 3.1Å; P340-S343 PolarHBondContact O-N 2.75Å; S343-A345 VanDerWaalsContact C-N 3.34Å; S343-A345 PolarHBondContact O-N 3.34Å; S343-L346 PolarHBondContact O-N 3.21Å; S343-S347 PolarHBondContact O-N 3.08Å; S343-S347 PolarHBondContact O-OG 3.42Å; S343-S347 VanDerWaalsContact O-OG 3.11Å; S343-S383 VanDerWaalsContact CB-OG 3.3Å; S343-S383 WeakPolarHBondContact CB-OG 3.48Å; S343-S383 PolarHBondContact OG-OG 3.06Å |
| 344 | L | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.7 | -37.3 | 177.9 | 91.2 | 90.3 | 0 | 0 | 0 | 112.2 | P340 T341 V342 S347 L348 Y380 L388 V446 | P340-L344 PolarHBondContact O-N 3.4Å; T341-L344 HydrophobicContact CG2-CD2 4.23Å; T341-L344 WeakPolarHBondContact O-CG 3.45Å; V342-L344 PolarHBondContact O-N 3.25Å; L344-S347 WeakPolarHBondContact O-CB 3.27Å; L344-S347 PolarHBondContact O-N 3.34Å; L344-L348 HydrophobicContact CD1-CD1 3.88Å; L344-L348 HydrophobicContact CD1-CG 4.44Å; L344-L348 WeakPolarHBondContact O-CG 3.49Å; L344-L348 PolarHBondContact O-N 2.95Å; L344-Y380 HydrophobicContact CB-CD2 3.92Å; L344-Y380 HydrophobicContact CB-CE2 3.94Å; L344-Y380 HydrophobicContact CD1-CD2 4.3Å; L344-Y380 HydrophobicContact CD1-CE2 3.53Å; L344-Y380 HydrophobicContact CG-CE2 4.31Å; L344-L388 HydrophobicContact CD2-CD1 3.48Å; L344-L388 VanDerWaalsContact CD2-CD1 3.48Å; L344-L388 HydrophobicContact CD2-CG 4.17Å; L344-V446 HydrophobicContact CD1-CG1 4.13Å; L344-V446 HydrophobicContact CD1-CG2 3.93Å |
| 345 | A | 97.7 | Very high | 95.8 | Very high | 14 Ų | 14 | 36.4 Ų | 36.4 | 12% | 0.116 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.7 | -43.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | T341 V342 S343 S347 L348 L349 L443 V446 | T341-A345 WeakPolarHBondContact O-CB 3.22Å; T341-A345 PolarHBondContact O-N 3.28Å; T341-A345 VanDerWaalsContact O-N 3.07Å; V342-A345 PolarHBondContact O-N 3.48Å; S343-A345 VanDerWaalsContact C-N 3.34Å; S343-A345 PolarHBondContact O-N 3.34Å; A345-S347 VanDerWaalsContact C-N 3.33Å; A345-S347 PolarHBondContact O-N 2.86Å; A345-L348 PolarHBondContact O-N 3.37Å; A345-L349 PolarHBondContact O-N 3.4Å; A345-L443 HydrophobicContact CB-CD1 3.82Å; A345-L443 WeakPolarHBondContact O-CD1 3.47Å; A345-V446 HydrophobicContact CB-CG1 3.84Å |
| 346 | L | 97.8 | Very high | 95.5 | Very high | 98 Ų | 98 | 34.7 Ų | 34.7 | 51% | 0.513 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.2 | -41.6 | 173.7 | -68.2 | 174.2 | 0 | 0 | 0 | 111.3 | V342 S343 L348 L349 L350 | V342-L346 HydrophobicContact CG1-CD1 4.2Å; V342-L346 HydrophobicContact CG1-CG 4.5Å; V342-L346 WeakPolarHBondContact O-CG 3.36Å; V342-L346 PolarHBondContact O-N 3.15Å; S343-L346 PolarHBondContact O-N 3.21Å; L346-L348 PolarHBondContact O-N 3.18Å; L346-L349 PolarHBondContact O-N 2.89Å; L346-L350 WeakPolarHBondContact O-CB 3.3Å; L346-L350 VanDerWaalsContact O-CG 3.31Å; L346-L350 WeakPolarHBondContact O-CG 3.5Å; L346-L350 PolarHBondContact O-N 2.61Å |
| 347 | S | 96.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.028 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61 | -42.6 | 174.9 | -58.7 | 0 | 0 | 0 | 0 | 112.4 | S343 L344 A345 L350 L351 I379 | S343-S347 PolarHBondContact O-N 3.08Å; S343-S347 PolarHBondContact O-OG 3.42Å; S343-S347 VanDerWaalsContact O-OG 3.11Å; L344-S347 WeakPolarHBondContact O-CB 3.27Å; L344-S347 PolarHBondContact O-N 3.34Å; A345-S347 VanDerWaalsContact C-N 3.33Å; A345-S347 PolarHBondContact O-N 2.86Å; S347-L350 PolarHBondContact O-N 3.08Å; S347-L351 VanDerWaalsContact O-CB 3.29Å; S347-L351 WeakPolarHBondContact O-CB 3.48Å; S347-L351 WeakPolarHBondContact O-CG 3.39Å; S347-L351 PolarHBondContact O-N 3.01Å; S347-I379 WeakPolarHBondContact OG-CG2 3.36Å |
| 348 | L | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.7 | -41.9 | 176.5 | -70.4 | 173.7 | 0 | 0 | 0 | 112.5 | S283 V288 L344 A345 L346 L351 T352 Y380 F439 F442 L443 V446 | S283-L348 WeakPolarHBondContact O-CD1 3.47Å; V288-L348 HydrophobicContact CG2-CD2 4.04Å; L344-L348 HydrophobicContact CD1-CD1 3.88Å; L344-L348 HydrophobicContact CD1-CG 4.44Å; L344-L348 WeakPolarHBondContact O-CG 3.49Å; L344-L348 PolarHBondContact O-N 2.95Å; A345-L348 PolarHBondContact O-N 3.37Å; L346-L348 PolarHBondContact O-N 3.18Å; L348-L351 PolarHBondContact O-N 3.02Å; L348-T352 PolarHBondContact O-N 3.43Å; L348-T352 PolarHBondContact O-OG1 3.31Å; L348-Y380 HydrophobicContact CD1-CE2 4.18Å; L348-Y380 HydrophobicContact CD2-CD2 4.03Å; L348-Y380 HydrophobicContact CD2-CE2 3.63Å; L348-Y380 HydrophobicContact CG-CD2 4.09Å; L348-Y380 HydrophobicContact CG-CE2 3.74Å; L348-F439 HydrophobicContact CD2-CB 4.32Å; L348-F439 HydrophobicContact CD2-CD1 4.05Å; L348-F439 HydrophobicContact CD2-CG 4.48Å; L348-F442 HydrophobicContact CD1-CB 4.4Å; L348-L443 HydrophobicContact CB-CB 4.4Å; L348-L443 HydrophobicContact CB-CD1 4.39Å; L348-L443 HydrophobicContact CD1-CB 4.43Å; L348-V446 HydrophobicContact CD1-CG2 4.27Å |
| 349 | L | 96.6 | Very high | 93.9 | Very high | 76 Ų | 76 | 41.1 Ų | 41.1 | 40% | 0.398 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.4 | -48.3 | 176.5 | 178.6 | 63 | 0 | 0 | 0 | 110.8 | A345 L346 T352 I353 L443 | A345-L349 PolarHBondContact O-N 3.4Å; L346-L349 PolarHBondContact O-N 2.89Å; L349-T352 WeakPolarHBondContact O-CB 3.28Å; L349-T352 PolarHBondContact O-N 3.47Å; L349-I353 HydrophobicContact CG-CD1 4.5Å; L349-I353 WeakPolarHBondContact O-CG1 3.34Å; L349-I353 PolarHBondContact O-N 3.21Å; L349-L443 HydrophobicContact CB-CD2 3.98Å; L349-L443 HydrophobicContact CD1-CD2 4.03Å |
| 350 | L | 96.3 | Very high | 93.2 | Very high | 70 Ų | 70 | 37.8 Ų | 37.8 | 37% | 0.366 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.2 | -40.9 | 178.6 | -66.5 | 176.1 | 0 | 0 | 0 | 111.6 | L346 S347 T352 I353 F354 L376 | L346-L350 WeakPolarHBondContact O-CB 3.3Å; L346-L350 VanDerWaalsContact O-CG 3.31Å; L346-L350 WeakPolarHBondContact O-CG 3.5Å; L346-L350 PolarHBondContact O-N 2.61Å; S347-L350 PolarHBondContact O-N 3.08Å; L350-T352 VanDerWaalsContact C-N 3.31Å; L350-T352 PolarHBondContact O-N 3.11Å; L350-I353 PolarHBondContact O-N 2.84Å; L350-I353 VanDerWaalsContact O-N 3.08Å; L350-F354 HydrophobicContact CB-CD2 4.16Å; L350-F354 HydrophobicContact CB-CE2 4.23Å; L350-F354 HydrophobicContact CD2-CE2 4.18Å; L350-F354 WeakPolarHBondContact O-CD2 3.32Å; L350-F354 PolarHBondContact O-N 3.31Å; L350-L376 HydrophobicContact CB-CD1 3.66Å; L350-L376 HydrophobicContact CB-CD2 3.88Å; L350-L376 HydrophobicContact CB-CG 4.43Å; L350-L376 HydrophobicContact CD1-CD2 3.73Å; L350-L376 HydrophobicContact CG-CD2 4.48Å |
| 351 | L | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.3 | -44.3 | 174.3 | -79.1 | 168.6 | 0 | 0 | 0 | 111.3 | V288 S347 L348 I353 F354 V355 L376 I377 F439 | V288-L351 HydrophobicContact CG2-CD1 4.32Å; S347-L351 VanDerWaalsContact O-CB 3.29Å; S347-L351 WeakPolarHBondContact O-CB 3.48Å; S347-L351 WeakPolarHBondContact O-CG 3.39Å; S347-L351 PolarHBondContact O-N 3.01Å; L348-L351 PolarHBondContact O-N 3.02Å; L351-I353 PolarHBondContact O-N 2.8Å; L351-F354 PolarHBondContact O-N 3.28Å; L351-V355 VanDerWaalsContact O-CB 3.28Å; L351-V355 WeakPolarHBondContact O-CB 3.31Å; L351-V355 VanDerWaalsContact O-CG2 3.26Å; L351-V355 WeakPolarHBondContact O-CG2 3.42Å; L351-V355 PolarHBondContact O-N 3.16Å; L351-L376 HydrophobicContact CD2-CB 3.74Å; L351-L376 HydrophobicContact CD2-CD1 4.31Å; L351-L376 HydrophobicContact CG-CB 3.87Å; L351-L376 HydrophobicContact CG-CD1 4.39Å; L351-I377 HydrophobicContact CD1-CG1 4.26Å; L351-I377 HydrophobicContact CD2-CG1 3.92Å; L351-F439 HydrophobicContact CB-CD2 4.13Å; L351-F439 HydrophobicContact CB-CE2 4.2Å |
| 352 | T | 93.9 | Very high | 91.6 | Very high | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.043 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -54.4 | -44.2 | 174.7 | -54.3 | 0 | 0 | 0 | 0 | 111 | L348 L349 L350 N356 Y437 F439 L440 | L348-T352 PolarHBondContact O-N 3.43Å; L348-T352 PolarHBondContact O-OG1 3.31Å; L349-T352 WeakPolarHBondContact O-CB 3.28Å; L349-T352 PolarHBondContact O-N 3.47Å; L350-T352 VanDerWaalsContact C-N 3.31Å; L350-T352 PolarHBondContact O-N 3.11Å; T352-N356 WeakPolarHBondContact O-CB 3.4Å; T352-N356 PolarHBondContact O-N 2.86Å; T352-N356 PolarHBondContact O-ND2 3.31Å; T352-Y437 HydrophobicContact CG2-CD1 4.04Å; T352-F439 WeakPolarHBondContact OG1-CB 3.48Å; T352-L440 HydrophobicContact CG2-CD1 4.26Å; T352-L440 HydrophobicContact CG2-CD2 3.91Å; T352-L440 HydrophobicContact CG2-CG 3.78Å |
| 353 | I | 93.3 | Very high | 90.6 | Very high | 80 Ų | 80 | 46.9 Ų | 46.9 | 41% | 0.41 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.9 | -54.4 | -179.8 | -63.3 | 165.2 | 0 | 0 | 0 | 110.7 | L349 L350 L351 N356 L357 | L349-I353 HydrophobicContact CG-CD1 4.5Å; L349-I353 WeakPolarHBondContact O-CG1 3.34Å; L349-I353 PolarHBondContact O-N 3.21Å; L350-I353 PolarHBondContact O-N 2.84Å; L350-I353 VanDerWaalsContact O-N 3.08Å; L351-I353 PolarHBondContact O-N 2.8Å; I353-N356 PolarHBondContact O-N 2.89Å; I353-L357 HydrophobicContact CG2-CD1 3.86Å; I353-L357 HydrophobicContact CG2-CG 4.39Å; I353-L357 VanDerWaalsContact O-CG 3.31Å; I353-L357 WeakPolarHBondContact O-CG 3.49Å; I353-L357 PolarHBondContact O-N 2.87Å |
| 354 | F | 91.8 | Very high | 89.7 | Confident | 50 Ų | 50 | 49.9 Ų | 49.9 | 22% | 0.219 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72 | -33.6 | -171.1 | -73.1 | -69.2 | 0 | 0 | 0 | 113.8 | L350 L351 L357 A358 M369 I372 L376 | L350-F354 HydrophobicContact CB-CD2 4.16Å; L350-F354 HydrophobicContact CB-CE2 4.23Å; L350-F354 HydrophobicContact CD2-CE2 4.18Å; L350-F354 WeakPolarHBondContact O-CD2 3.32Å; L350-F354 PolarHBondContact O-N 3.31Å; L351-F354 PolarHBondContact O-N 3.28Å; F354-L357 HydrophobicContact CD1-CD1 4.36Å; F354-L357 PolarHBondContact O-N 3.12Å; F354-A358 WeakPolarHBondContact O-CB 3.21Å; F354-A358 PolarHBondContact O-N 3.15Å; F354-M369 HydrophobicContact CD1-SD 3.66Å; F354-M369 HydrophobicContact CE1-SD 4.23Å; F354-I372 HydrophobicContact CB-CG2 4.48Å; F354-I372 HydrophobicContact CD1-CD1 4.42Å; F354-I372 HydrophobicContact CD1-CG2 3.91Å; F354-I372 HydrophobicContact CD2-CG2 3.8Å; F354-I372 HydrophobicContact CE1-CD1 4.16Å; F354-I372 HydrophobicContact CE1-CG2 4.02Å; F354-I372 HydrophobicContact CE2-CG2 3.92Å; F354-I372 HydrophobicContact CG-CG2 3.8Å; F354-I372 HydrophobicContact CZ-CG2 4.03Å; F354-L376 HydrophobicContact CD2-CD1 3.54Å; F354-L376 HydrophobicContact CE2-CD1 4.16Å; F354-L376 HydrophobicContact CG-CD1 4.38Å |
| 355 | V | 89.4 | Confident | 89.2 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 173 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | Y291 M295 L351 L357 A358 D359 F439 | Y291-V355 HydrophobicContact CD1-CG1 4.26Å; Y291-V355 HydrophobicContact CE1-CG1 3.7Å; M295-V355 HydrophobicContact CE-CG1 4.35Å; M295-V355 HydrophobicContact CE-CG2 4.39Å; M295-V355 HydrophobicContact SD-CG2 3.62Å; L351-V355 VanDerWaalsContact O-CB 3.28Å; L351-V355 WeakPolarHBondContact O-CB 3.31Å; L351-V355 VanDerWaalsContact O-CG2 3.26Å; L351-V355 WeakPolarHBondContact O-CG2 3.42Å; L351-V355 PolarHBondContact O-N 3.16Å; V355-L357 VanDerWaalsContact C-N 3.33Å; V355-L357 PolarHBondContact O-N 3.25Å; V355-A358 WeakPolarHBondContact O-CB 3.48Å; V355-A358 PolarHBondContact O-N 3.04Å; V355-A358 VanDerWaalsContact O-N 3.11Å; V355-D359 PolarHBondContact O-N 2.96Å; V355-F439 HydrophobicContact CG2-CE2 4.11Å |
| 356 | N | 88.8 | Confident | 88.7 | Confident | 21 Ų | 21 | 54 Ų | 54 | 11% | 0.112 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.1 | -35.1 | 177.4 | -81.1 | -70.4 | 0 | 0 | 0 | 112.8 | T352 I353 A358 D359 S360 G436 Y437 | T352-N356 WeakPolarHBondContact O-CB 3.4Å; T352-N356 PolarHBondContact O-N 2.86Å; T352-N356 PolarHBondContact O-ND2 3.31Å; I353-N356 PolarHBondContact O-N 2.89Å; N356-A358 VanDerWaalsContact C-N 3.33Å; N356-D359 PolarHBondContact O-N 3.49Å; N356-S360 WeakPolarHBondContact O-CB 3.33Å; N356-S360 PolarHBondContact O-N 3.42Å; N356-S360 PolarHBondContact O-OG 3.04Å; N356-G436 PolarHBondContact ND2-O 3.19Å; N356-Y437 PolarHBondContact ND2-N 3.22Å; N356-Y437 WeakPolarHBondContact OD1-CD2 3.21Å; N356-Y437 WeakPolarHBondContact OD1-CE2 3.39Å |
| 357 | L | 88.4 | Confident | 88.2 | Confident | 88 Ų | 88 | 53.3 Ų | 53.3 | 46% | 0.461 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.4 | -32.5 | 171.9 | -70.1 | 176.2 | 0 | 0 | 0 | 112.4 | I353 F354 V355 G361 M369 | I353-L357 HydrophobicContact CG2-CD1 3.86Å; I353-L357 HydrophobicContact CG2-CG 4.39Å; I353-L357 VanDerWaalsContact O-CG 3.31Å; I353-L357 WeakPolarHBondContact O-CG 3.49Å; I353-L357 PolarHBondContact O-N 2.87Å; F354-L357 HydrophobicContact CD1-CD1 4.36Å; F354-L357 PolarHBondContact O-N 3.12Å; V355-L357 VanDerWaalsContact C-N 3.33Å; V355-L357 PolarHBondContact O-N 3.25Å; L357-G361 VanDerWaalsContact O-CA 3.25Å; L357-G361 WeakPolarHBondContact O-CA 3.36Å; L357-G361 PolarHBondContact O-N 3.3Å; L357-M369 HydrophobicContact CB-CG 4.35Å; L357-M369 HydrophobicContact CB-SD 4.15Å; L357-M369 HydrophobicContact CD1-SD 4.49Å |
| 358 | A | 84.6 | Confident | 87.9 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68 | -42.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | L298 F354 V355 N356 K366 M369 | L298-A358 HydrophobicContact CD1-CB 4.23Å; F354-A358 WeakPolarHBondContact O-CB 3.21Å; F354-A358 PolarHBondContact O-N 3.15Å; V355-A358 WeakPolarHBondContact O-CB 3.48Å; V355-A358 PolarHBondContact O-N 3.04Å; V355-A358 VanDerWaalsContact O-N 3.11Å; N356-A358 VanDerWaalsContact C-N 3.33Å; A358-K366 WeakPolarHBondContact O-CE 3.39Å; A358-K366 WeakPolarHBondContact O-CG 3.34Å; A358-M369 HydrophobicContact CB-CB 3.58Å; A358-M369 HydrophobicContact CB-CG 4.4Å |
| 359 | D | 81 | Confident | 87.7 | Confident | 76 Ų | 76 | 57 Ų | 57 | 41% | 0.406 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -71.6 | -42.5 | -177.8 | -73.5 | -19 | 0 | 0 | 0 | 112.4 | V355 N356 | V355-D359 PolarHBondContact O-N 2.96Å; N356-D359 PolarHBondContact O-N 3.49Å |
| 360 | S | 82.8 | Confident | 87.3 | Confident | 106 Ų | 106 | 53.4 Ų | 53.4 | 74% | 0.741 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -91.3 | -16.2 | -176 | -53.6 | 0 | 0 | 0 | 0 | 114 | N356 | N356-S360 WeakPolarHBondContact O-CB 3.33Å; N356-S360 PolarHBondContact O-N 3.42Å; N356-S360 PolarHBondContact O-OG 3.04Å |
| 361 | G | 79.1 | Confident | 87.1 | Confident | 19 Ų | 19 | 54.2 Ų | 54.2 | 20% | 0.196 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -79.1 | 164.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L357 | L357-G361 VanDerWaalsContact O-CA 3.25Å; L357-G361 WeakPolarHBondContact O-CA 3.36Å; L357-G361 PolarHBondContact O-N 3.3Å |
| 362 | P | 81.2 | Confident | 87.1 | Confident | 85 Ų | 85 | 57 Ų | 57 | 55% | 0.552 | 33% | 0.326 | S | S | * | . | trans | -53.9 | 150 | 172.1 | -23.8 | 33.2 | 0 | 0 | 0 | 112.6 | S364 T365 K366 | P362-S364 PolarHBondContact O-N 3.01Å; P362-T365 PolarHBondContact O-N 3.42Å; P362-T365 PolarHBondContact O-OG1 2.93Å; P362-K366 PolarHBondContact O-N 3.38Å | ||
| 363 | Q | 77.8 | Confident | 87 | Confident | 148 Ų | 148 | 56.6 Ų | 56.6 | 69% | 0.692 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -56.3 | -28.1 | 179.1 | -167.5 | 63.2 | 26 | 0 | 0 | 112.8 | T365 | Q363-T365 VanDerWaalsContact C-N 3.31Å; Q363-T365 PolarHBondContact O-N 3.48Å |
| 364 | S | 79.1 | Confident | 87 | Confident | 105 Ų | 105 | 54.3 Ų | 54.3 | 73% | 0.734 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.7 | -26 | 176.1 | 55.4 | 0 | 0 | 0 | 0 | 114.1 | P362 | P362-S364 PolarHBondContact O-N 3.01Å |
| 365 | T | 86 | Confident | 87.2 | Confident | 48 Ų | 48 | 56.3 Ų | 56.3 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -95.5 | -18 | -178.1 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | P362 Q363 N367 A368 M369 | P362-T365 PolarHBondContact O-N 3.42Å; P362-T365 PolarHBondContact O-OG1 2.93Å; Q363-T365 VanDerWaalsContact C-N 3.31Å; Q363-T365 PolarHBondContact O-N 3.48Å; T365-N367 VanDerWaalsContact C-N 3.34Å; T365-N367 PolarHBondContact O-N 3.03Å; T365-A368 PolarHBondContact O-N 2.88Å; T365-A368 VanDerWaalsContact O-N 3.16Å; T365-M369 WeakPolarHBondContact O-CG 3.41Å; T365-M369 PolarHBondContact O-N 3.06Å |
| 366 | K | 86.7 | Confident | 87.5 | Confident | 52 Ų | 52 | 57 Ų | 57 | 23% | 0.226 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.8 | -45.1 | -175.3 | -65.3 | -161.7 | 178.7 | 165.3 | 0 | 113.4 | A358 P362 A368 M369 G370 | A358-K366 WeakPolarHBondContact O-CE 3.39Å; A358-K366 WeakPolarHBondContact O-CG 3.34Å; P362-K366 PolarHBondContact O-N 3.38Å; K366-A368 PolarHBondContact O-N 3.43Å; K366-M369 PolarHBondContact O-N 2.85Å; K366-G370 PolarHBondContact O-N 3.25Å |
| 367 | N | 87.8 | Confident | 87.7 | Confident | 84 Ų | 84 | 56.1 Ų | 56.1 | 45% | 0.449 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.2 | -45.4 | 179.1 | -119.9 | 15.8 | 0 | 0 | 0 | 112 | L298 A299 G300 T365 G370 I371 | L298-N367 WeakPolarHBondContact O-CA 3.43Å; L298-N367 PolarHBondContact O-OD1 3.49Å; A299-N367 PolarHBondContact O-OD1 3.48Å; G300-N367 PolarHBondContact N-OD1 3.22Å; T365-N367 VanDerWaalsContact C-N 3.34Å; T365-N367 PolarHBondContact O-N 3.03Å; N367-G370 PolarHBondContact O-N 3.27Å; N367-I371 WeakPolarHBondContact O-CG1 3.18Å; N367-I371 PolarHBondContact O-N 3.01Å |
| 368 | A | 90.3 | Very high | 88.1 | Confident | 48 Ų | 48 | 54.8 Ų | 54.8 | 40% | 0.397 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T365 K366 I371 I372 | T365-A368 PolarHBondContact O-N 2.88Å; T365-A368 VanDerWaalsContact O-N 3.16Å; K366-A368 PolarHBondContact O-N 3.43Å; A368-I371 PolarHBondContact O-N 3.31Å; A368-I372 WeakPolarHBondContact O-CG1 3.39Å; A368-I372 PolarHBondContact O-N 3.16Å |
| 369 | M | 91.2 | Very high | 88.7 | Confident | 35 Ų | 35 | 58.2 Ų | 58.2 | 17% | 0.172 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67 | -36.1 | 177.5 | -60 | -57.8 | 128.2 | 0 | 0 | 112.1 | F354 L357 A358 T365 K366 I372 S373 | F354-M369 HydrophobicContact CD1-SD 3.66Å; F354-M369 HydrophobicContact CE1-SD 4.23Å; L357-M369 HydrophobicContact CB-CG 4.35Å; L357-M369 HydrophobicContact CB-SD 4.15Å; L357-M369 HydrophobicContact CD1-SD 4.49Å; A358-M369 HydrophobicContact CB-CB 3.58Å; A358-M369 HydrophobicContact CB-CG 4.4Å; T365-M369 WeakPolarHBondContact O-CG 3.41Å; T365-M369 PolarHBondContact O-N 3.06Å; K366-M369 PolarHBondContact O-N 2.85Å; M369-I372 HydrophobicContact CE-CD1 4.48Å; M369-I372 PolarHBondContact O-N 3.39Å; M369-S373 WeakPolarHBondContact O-CB 3.36Å; M369-S373 PolarHBondContact O-N 3.41Å; M369-S373 PolarHBondContact O-OG 3.32Å |
| 370 | G | 89 | Confident | 89.5 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.7 | -48.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K366 N367 I372 S373 I374 | K366-G370 PolarHBondContact O-N 3.25Å; N367-G370 PolarHBondContact O-N 3.27Å; G370-I372 PolarHBondContact O-N 3.44Å; G370-S373 PolarHBondContact O-N 2.97Å; G370-I374 WeakPolarHBondContact O-CG1 3.4Å; G370-I374 PolarHBondContact O-N 2.87Å |
| 371 | I | 91.6 | Very high | 90.1 | Very high | 86 Ų | 86 | 49.9 Ų | 49.9 | 44% | 0.441 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 176.9 | -67.1 | 167.4 | 0 | 0 | 0 | 111.4 | A299 N367 A368 S373 I374 I375 | A299-I371 HydrophobicContact CB-CG1 3.85Å; N367-I371 WeakPolarHBondContact O-CG1 3.18Å; N367-I371 PolarHBondContact O-N 3.01Å; A368-I371 PolarHBondContact O-N 3.31Å; I371-S373 VanDerWaalsContact C-N 3.29Å; I371-S373 PolarHBondContact O-N 2.92Å; I371-I374 PolarHBondContact O-N 2.84Å; I371-I375 HydrophobicContact CG2-CD1 4.19Å; I371-I375 WeakPolarHBondContact O-CG1 3.25Å; I371-I375 PolarHBondContact O-N 3.08Å; I371-I375 VanDerWaalsContact O-N 3.09Å |
| 372 | I | 94.5 | Very high | 91 | Very high | 58 Ų | 58 | 50.5 Ų | 50.5 | 30% | 0.297 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 177.2 | -67.7 | 167 | 0 | 0 | 0 | 110.4 | F354 A368 M369 G370 I374 I375 L376 | F354-I372 HydrophobicContact CB-CG2 4.48Å; F354-I372 HydrophobicContact CD1-CD1 4.42Å; F354-I372 HydrophobicContact CD1-CG2 3.91Å; F354-I372 HydrophobicContact CD2-CG2 3.8Å; F354-I372 HydrophobicContact CE1-CD1 4.16Å; F354-I372 HydrophobicContact CE1-CG2 4.02Å; F354-I372 HydrophobicContact CE2-CG2 3.92Å; F354-I372 HydrophobicContact CG-CG2 3.8Å; F354-I372 HydrophobicContact CZ-CG2 4.03Å; A368-I372 WeakPolarHBondContact O-CG1 3.39Å; A368-I372 PolarHBondContact O-N 3.16Å; M369-I372 HydrophobicContact CE-CD1 4.48Å; M369-I372 PolarHBondContact O-N 3.39Å; G370-I372 PolarHBondContact O-N 3.44Å; I372-I374 PolarHBondContact O-N 2.75Å; I372-I375 PolarHBondContact O-N 3.22Å; I372-L376 HydrophobicContact CG2-CD1 4.03Å; I372-L376 HydrophobicContact CG2-CG 4.49Å; I372-L376 WeakPolarHBondContact O-CG 3.3Å; I372-L376 PolarHBondContact O-N 3.34Å |
| 373 | S | 93.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 178.8 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | M295 M369 G370 I371 I375 L376 I377 | M295-S373 VanDerWaalsContact SD-CB 3.6Å; M369-S373 WeakPolarHBondContact O-CB 3.36Å; M369-S373 PolarHBondContact O-N 3.41Å; M369-S373 PolarHBondContact O-OG 3.32Å; G370-S373 PolarHBondContact O-N 2.97Å; I371-S373 VanDerWaalsContact C-N 3.29Å; I371-S373 PolarHBondContact O-N 2.92Å; S373-I375 PolarHBondContact O-N 3.38Å; S373-L376 PolarHBondContact O-N 3.46Å; S373-I377 VanDerWaalsContact O-CG1 3.28Å; S373-I377 WeakPolarHBondContact O-CG1 3.35Å; S373-I377 PolarHBondContact O-N 3.22Å |
| 374 | I | 93.1 | Very high | 92.7 | Very high | 32 Ų | 32 | 40.8 Ų | 40.8 | 16% | 0.164 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.2 | -46 | 173.8 | -65.6 | 158.9 | 0 | 0 | 0 | 110.8 | M295 L296 A299 G370 I371 I372 L376 I377 L378 | M295-I374 HydrophobicContact CB-CG1 4.09Å; L296-I374 HydrophobicContact CD2-CD1 3.78Å; L296-I374 HydrophobicContact CD2-CG1 4.2Å; L296-I374 HydrophobicContact CG-CD1 4.29Å; L296-I374 HydrophobicContact CG-CG1 4.39Å; A299-I374 HydrophobicContact CB-CD1 3.36Å; G370-I374 WeakPolarHBondContact O-CG1 3.4Å; G370-I374 PolarHBondContact O-N 2.87Å; I371-I374 PolarHBondContact O-N 2.84Å; I372-I374 PolarHBondContact O-N 2.75Å; I374-L376 VanDerWaalsContact C-N 3.27Å; I374-L376 PolarHBondContact O-N 3.41Å; I374-I377 WeakPolarHBondContact O-CB 3.46Å; I374-I377 PolarHBondContact O-N 3.41Å; I374-I377 VanDerWaalsContact O-N 3.13Å; I374-L378 HydrophobicContact CG2-CD1 4.28Å; I374-L378 HydrophobicContact CG2-CG 4.42Å; I374-L378 WeakPolarHBondContact O-CG 3.4Å; I374-L378 PolarHBondContact O-N 2.98Å |
| 375 | I | 94.9 | Very high | 93.5 | Very high | 92 Ų | 92 | 35.8 Ų | 35.8 | 47% | 0.472 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58.1 | -43.2 | 177.7 | -66.2 | 167.2 | 0 | 0 | 0 | 110.4 | I371 I372 S373 L378 I379 | I371-I375 HydrophobicContact CG2-CD1 4.19Å; I371-I375 WeakPolarHBondContact O-CG1 3.25Å; I371-I375 PolarHBondContact O-N 3.08Å; I371-I375 VanDerWaalsContact O-N 3.09Å; I372-I375 PolarHBondContact O-N 3.22Å; S373-I375 PolarHBondContact O-N 3.38Å; I375-L378 PolarHBondContact O-N 3.38Å; I375-I379 HydrophobicContact CG2-CD1 4.03Å; I375-I379 WeakPolarHBondContact O-CG1 3.31Å; I375-I379 PolarHBondContact O-N 3.06Å |
| 376 | L | 96 | Very high | 94 | Very high | 14 Ų | 14 | 35.7 Ų | 35.7 | 7% | 0.073 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.5 | -38.1 | 176.6 | -68.1 | 169 | 0 | 0 | 0 | 112.9 | L350 L351 F354 I372 S373 I374 L378 I379 Y380 | L350-L376 HydrophobicContact CB-CD1 3.66Å; L350-L376 HydrophobicContact CB-CD2 3.88Å; L350-L376 HydrophobicContact CB-CG 4.43Å; L350-L376 HydrophobicContact CD1-CD2 3.73Å; L350-L376 HydrophobicContact CG-CD2 4.48Å; L351-L376 HydrophobicContact CD2-CB 3.74Å; L351-L376 HydrophobicContact CD2-CD1 4.31Å; L351-L376 HydrophobicContact CG-CB 3.87Å; L351-L376 HydrophobicContact CG-CD1 4.39Å; F354-L376 HydrophobicContact CD2-CD1 3.54Å; F354-L376 HydrophobicContact CE2-CD1 4.16Å; F354-L376 HydrophobicContact CG-CD1 4.38Å; I372-L376 HydrophobicContact CG2-CD1 4.03Å; I372-L376 HydrophobicContact CG2-CG 4.49Å; I372-L376 WeakPolarHBondContact O-CG 3.3Å; I372-L376 PolarHBondContact O-N 3.34Å; S373-L376 PolarHBondContact O-N 3.46Å; I374-L376 VanDerWaalsContact C-N 3.27Å; I374-L376 PolarHBondContact O-N 3.41Å; L376-L378 VanDerWaalsContact C-N 3.33Å; L376-I379 PolarHBondContact O-N 2.9Å; L376-Y380 WeakPolarHBondContact O-CB 3.5Å; L376-Y380 PolarHBondContact O-N 3.31Å |
| 377 | I | 94.7 | Very high | 94.3 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.9 | -43.5 | 172.7 | -70.9 | 175.6 | 0 | 0 | 0 | 110.3 | V288 M295 L351 S373 I374 Y380 I381 | V288-I377 HydrophobicContact CG1-CB 4.29Å; V288-I377 HydrophobicContact CG1-CG1 4.09Å; V288-I377 HydrophobicContact CG1-CG2 3.8Å; M295-I377 HydrophobicContact CB-CD1 4.14Å; M295-I377 HydrophobicContact CG-CD1 3.94Å; L351-I377 HydrophobicContact CD1-CG1 4.26Å; L351-I377 HydrophobicContact CD2-CG1 3.92Å; S373-I377 VanDerWaalsContact O-CG1 3.28Å; S373-I377 WeakPolarHBondContact O-CG1 3.35Å; S373-I377 PolarHBondContact O-N 3.22Å; I374-I377 WeakPolarHBondContact O-CB 3.46Å; I374-I377 PolarHBondContact O-N 3.41Å; I374-I377 VanDerWaalsContact O-N 3.13Å; I377-Y380 WeakPolarHBondContact O-CB 3.39Å; I377-Y380 PolarHBondContact O-N 3.32Å; I377-I381 HydrophobicContact CG2-CD1 3.81Å; I377-I381 HydrophobicContact CG2-CG1 4.45Å; I377-I381 VanDerWaalsContact O-CG1 3.28Å; I377-I381 WeakPolarHBondContact O-CG1 3.34Å; I377-I381 PolarHBondContact O-N 3.41Å |
| 378 | L | 95.9 | Very high | 94.7 | Very high | 59 Ų | 59 | 29.2 Ų | 29.2 | 31% | 0.309 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.4 | -43.8 | 177.4 | -63.1 | 175.5 | 0 | 0 | 0 | 111.3 | I313 L316 I374 I375 L376 Y380 I381 C382 | I313-L378 HydrophobicContact CG1-CD2 4.01Å; L316-L378 HydrophobicContact CD2-CB 4.24Å; L316-L378 HydrophobicContact CD2-CD2 3.71Å; L316-L378 HydrophobicContact CD2-CG 4.48Å; I374-L378 HydrophobicContact CG2-CD1 4.28Å; I374-L378 HydrophobicContact CG2-CG 4.42Å; I374-L378 WeakPolarHBondContact O-CG 3.4Å; I374-L378 PolarHBondContact O-N 2.98Å; I375-L378 PolarHBondContact O-N 3.38Å; L376-L378 VanDerWaalsContact C-N 3.33Å; L378-Y380 VanDerWaalsContact C-N 3.32Å; L378-Y380 PolarHBondContact O-N 3.02Å; L378-I381 PolarHBondContact O-N 3.11Å; L378-C382 WeakPolarHBondContact O-CB 3.25Å; L378-C382 PolarHBondContact O-N 3.47Å; L378-C382 PolarHBondContact O-SG 3.42Å |
| 379 | I | 97.2 | Very high | 94.8 | Very high | 73 Ų | 73 | 27 Ų | 27 | 37% | 0.374 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -60.3 | -43 | 174.7 | -66.8 | 166.6 | 0 | 0 | 0 | 110.9 | S347 I375 L376 C382 S383 | S347-I379 WeakPolarHBondContact OG-CG2 3.36Å; I375-I379 HydrophobicContact CG2-CD1 4.03Å; I375-I379 WeakPolarHBondContact O-CG1 3.31Å; I375-I379 PolarHBondContact O-N 3.06Å; L376-I379 PolarHBondContact O-N 2.9Å; I379-C382 PolarHBondContact O-N 3.42Å; I379-S383 WeakPolarHBondContact O-CB 3.5Å; I379-S383 PolarHBondContact O-N 3.29Å; I379-S383 PolarHBondContact O-OG 2.88Å |
| 380 | Y | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59 | -50.3 | 176.2 | 178.1 | -80.2 | 0 | 0 | 0 | 111 | S283 I285 V288 L344 L348 L376 I377 L378 C382 S383 F384 | S283-Y380 VanDerWaalsContact C-OH 3.24Å; S283-Y380 WeakPolarHBondContact CB-OH 3.28Å; S283-Y380 PolarHBondContact O-OH 3.32Å; S283-Y380 PolarHBondContact OG-OH 3.11Å; S283-Y380 VanDerWaalsContact OG-OH 3.1Å; I285-Y380 HydrophobicContact CB-CE1 4.17Å; I285-Y380 HydrophobicContact CD1-CD1 4.27Å; I285-Y380 HydrophobicContact CD1-CE1 3.66Å; I285-Y380 PolarHBondContact N-OH 3.48Å; V288-Y380 HydrophobicContact CB-CD1 4.06Å; V288-Y380 HydrophobicContact CB-CE1 4.07Å; V288-Y380 HydrophobicContact CG1-CD1 3.68Å; V288-Y380 HydrophobicContact CG1-CE1 4.18Å; V288-Y380 HydrophobicContact CG1-CG 4.16Å; V288-Y380 HydrophobicContact CG2-CD1 3.95Å; V288-Y380 HydrophobicContact CG2-CD2 4.14Å; V288-Y380 HydrophobicContact CG2-CE1 3.91Å; V288-Y380 HydrophobicContact CG2-CE2 4.06Å; V288-Y380 HydrophobicContact CG2-CG 4.09Å; L344-Y380 HydrophobicContact CB-CD2 3.92Å; L344-Y380 HydrophobicContact CB-CE2 3.94Å; L344-Y380 HydrophobicContact CD1-CD2 4.3Å; L344-Y380 HydrophobicContact CD1-CE2 3.53Å; L344-Y380 HydrophobicContact CG-CE2 4.31Å; L348-Y380 HydrophobicContact CD1-CE2 4.18Å; L348-Y380 HydrophobicContact CD2-CD2 4.03Å; L348-Y380 HydrophobicContact CD2-CE2 3.63Å; L348-Y380 HydrophobicContact CG-CD2 4.09Å; L348-Y380 HydrophobicContact CG-CE2 3.74Å; L376-Y380 WeakPolarHBondContact O-CB 3.5Å; L376-Y380 PolarHBondContact O-N 3.31Å; I377-Y380 WeakPolarHBondContact O-CB 3.39Å; I377-Y380 PolarHBondContact O-N 3.32Å; L378-Y380 VanDerWaalsContact C-N 3.32Å; L378-Y380 PolarHBondContact O-N 3.02Å; Y380-C382 PolarHBondContact O-N 3.16Å; Y380-S383 PolarHBondContact O-N 2.86Å; Y380-F384 HydrophobicContact CE1-CB 4.42Å; Y380-F384 WeakPolarHBondContact O-CB 3.47Å; Y380-F384 PolarHBondContact O-N 2.88Å |
| 381 | I | 96 | Very high | 95 | Very high | 7 Ų | 7 | 25.4 Ų | 25.4 | 4% | 0.036 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.5 | -42.5 | -178.6 | -68.9 | 173.4 | 0 | 0 | 0 | 110.8 | I285 I313 N317 I377 L378 S383 F384 A385 | I285-I381 HydrophobicContact CD1-CG1 4.47Å; I313-I381 HydrophobicContact CG2-CD1 3.44Å; I313-I381 VanDerWaalsContact CG2-CD1 3.44Å; N317-I381 HydrophobicContact CB-CG2 4.32Å; I377-I381 HydrophobicContact CG2-CD1 3.81Å; I377-I381 HydrophobicContact CG2-CG1 4.45Å; I377-I381 VanDerWaalsContact O-CG1 3.28Å; I377-I381 WeakPolarHBondContact O-CG1 3.34Å; I377-I381 PolarHBondContact O-N 3.41Å; L378-I381 PolarHBondContact O-N 3.11Å; I381-S383 VanDerWaalsContact C-N 3.34Å; I381-S383 PolarHBondContact O-N 3.05Å; I381-F384 PolarHBondContact O-N 2.78Å; I381-A385 WeakPolarHBondContact O-CB 3.35Å; I381-A385 PolarHBondContact O-N 3.23Å |
| 382 | C | 97.3 | Very high | 95 | Very high | 32 Ų | 32 | 21.3 Ų | 21.3 | 22% | 0.216 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.9 | -46.3 | 173.6 | -69.1 | 0 | 0 | 0 | 0 | 111.5 | V320 L378 I379 Y380 F384 A385 L386 | V320-C382 HydrophobicContact CG1-CB 4.39Å; V320-C382 WeakPolarHBondContact CG1-O 3.15Å; V320-C382 HydrophobicContact CG2-CB 4.2Å; L378-C382 WeakPolarHBondContact O-CB 3.25Å; L378-C382 PolarHBondContact O-N 3.47Å; L378-C382 PolarHBondContact O-SG 3.42Å; I379-C382 PolarHBondContact O-N 3.42Å; Y380-C382 PolarHBondContact O-N 3.16Å; C382-F384 VanDerWaalsContact C-N 3.35Å; C382-F384 PolarHBondContact O-N 3.01Å; C382-A385 PolarHBondContact O-N 3.14Å; C382-L386 WeakPolarHBondContact O-CG 3.25Å; C382-L386 PolarHBondContact O-N 3.42Å |
| 383 | S | 97.6 | Very high | 94.8 | Very high | 9 Ų | 9 | 19 Ų | 19 | 6% | 0.063 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64 | -41.3 | 179.7 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | P340 S343 I379 Y380 I381 L386 G387 | P340-S383 WeakPolarHBondContact CB-O 3.37Å; S343-S383 VanDerWaalsContact CB-OG 3.3Å; S343-S383 WeakPolarHBondContact CB-OG 3.48Å; S343-S383 PolarHBondContact OG-OG 3.06Å; I379-S383 WeakPolarHBondContact O-CB 3.5Å; I379-S383 PolarHBondContact O-N 3.29Å; I379-S383 PolarHBondContact O-OG 2.88Å; Y380-S383 PolarHBondContact O-N 2.86Å; I381-S383 VanDerWaalsContact C-N 3.34Å; I381-S383 PolarHBondContact O-N 3.05Å; S383-L386 PolarHBondContact O-N 3.47Å; S383-G387 PolarHBondContact O-N 3.45Å |
| 384 | F | 97 | Very high | 94.6 | Very high | 19 Ų | 19 | 19 Ų | 19 | 8% | 0.083 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.9 | -48.9 | 175 | -173 | -85.8 | 0 | 0 | 0 | 111.4 | Q280 I285 Y380 I381 C382 L386 G387 L388 G389 | Q280-F384 HydrophobicContact CG-CE2 4.1Å; Q280-F384 HydrophobicContact CG-CZ 3.72Å; Q280-F384 WeakPolarHBondContact O-CE2 3.42Å; I285-F384 HydrophobicContact CB-CD2 4.1Å; I285-F384 HydrophobicContact CB-CE2 3.85Å; I285-F384 HydrophobicContact CB-CZ 4.2Å; I285-F384 HydrophobicContact CD1-CD1 4.26Å; I285-F384 HydrophobicContact CD1-CD2 4.4Å; I285-F384 HydrophobicContact CD1-CG 4.14Å; I285-F384 HydrophobicContact CG1-CD1 4.38Å; I285-F384 HydrophobicContact CG1-CD2 4.35Å; I285-F384 HydrophobicContact CG1-CE1 4.28Å; I285-F384 HydrophobicContact CG1-CE2 4.25Å; I285-F384 HydrophobicContact CG1-CG 4.42Å; I285-F384 HydrophobicContact CG1-CZ 4.21Å; I285-F384 HydrophobicContact CG2-CE2 3.96Å; I285-F384 HydrophobicContact CG2-CZ 4.05Å; Y380-F384 HydrophobicContact CE1-CB 4.42Å; Y380-F384 WeakPolarHBondContact O-CB 3.47Å; Y380-F384 PolarHBondContact O-N 2.88Å; I381-F384 PolarHBondContact O-N 2.78Å; C382-F384 VanDerWaalsContact C-N 3.35Å; C382-F384 PolarHBondContact O-N 3.01Å; F384-L386 VanDerWaalsContact C-N 3.32Å; F384-L386 PolarHBondContact O-N 3.45Å; F384-G387 CarbonylContact O-C 3.58Å; F384-G387 PolarHBondContact O-N 2.95Å; F384-L388 HydrophobicContact CD2-CB 3.84Å; F384-L388 HydrophobicContact CD2-CD1 4.3Å; F384-L388 HydrophobicContact CE2-CB 3.77Å; F384-L388 HydrophobicContact CE2-CD1 4.35Å; F384-L388 HydrophobicContact CG-CB 4.42Å; F384-L388 HydrophobicContact CZ-CB 4.3Å; F384-L388 PolarHBondContact O-N 3.28Å; F384-L388 VanDerWaalsContact O-N 3.08Å; F384-G389 PolarHBondContact O-N 3.03Å |
| 385 | A | 96 | Very high | 94.6 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.008 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.2 | -32 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N317 V320 I381 C382 P390 | N317-A385 WeakPolarHBondContact OD1-CB 3.35Å; V320-A385 HydrophobicContact CB-CB 3.92Å; V320-A385 HydrophobicContact CG1-CB 3.68Å; I381-A385 WeakPolarHBondContact O-CB 3.35Å; I381-A385 PolarHBondContact O-N 3.23Å; C382-A385 PolarHBondContact O-N 3.14Å; A385-P390 WeakPolarHBondContact O-CD 3.27Å |
| 386 | L | 95.8 | Very high | 94.4 | Very high | 45 Ų | 45 | 13.1 Ų | 13.1 | 24% | 0.236 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -71 | -38.4 | 174.7 | -74.1 | 173.5 | 0 | 0 | 0 | 113.3 | V320 V323 L327 P340 C382 S383 F384 | V320-L386 HydrophobicContact CG1-CD1 4.39Å; V320-L386 HydrophobicContact CG1-CD2 3.75Å; V320-L386 HydrophobicContact CG1-CG 3.53Å; V323-L386 HydrophobicContact CG1-CD2 4.27Å; L327-L386 HydrophobicContact CD1-CD2 3.86Å; P340-L386 HydrophobicContact CB-CB 4.36Å; P340-L386 HydrophobicContact CG-CB 4.2Å; C382-L386 WeakPolarHBondContact O-CG 3.25Å; C382-L386 PolarHBondContact O-N 3.42Å; S383-L386 PolarHBondContact O-N 3.47Å; F384-L386 VanDerWaalsContact C-N 3.32Å; F384-L386 PolarHBondContact O-N 3.45Å |
| 387 | G | 94.8 | Very high | 94 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -86.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113 | L336 S383 F384 G389 P390 V391 | L336-G387 WeakPolarHBondContact O-CA 3.48Å; S383-G387 PolarHBondContact O-N 3.45Å; F384-G387 CarbonylContact O-C 3.58Å; F384-G387 PolarHBondContact O-N 2.95Å; G387-G389 PolarHBondContact O-N 3.31Å; G387-P390 VanDerWaalsContact O-CD 3.28Å; G387-P390 WeakPolarHBondContact O-CD 3.38Å; G387-V391 WeakPolarHBondContact O-CB 3.43Å; G387-V391 WeakPolarHBondContact O-CG2 3.48Å; G387-V391 PolarHBondContact O-N 3.41Å; G387-V391 VanDerWaalsContact O-N 3.09Å |
| 388 | L | 95 | Very high | 93.7 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -15.7 | -170.9 | -65.7 | -174.4 | 0 | 0 | 0 | 114.9 | L279 Q280 L337 L344 F384 P392 | L279-L388 HydrophobicContact CD1-CD1 4.28Å; L279-L388 HydrophobicContact CD2-CD2 3.77Å; L279-L388 HydrophobicContact CG-CD1 3.99Å; L279-L388 HydrophobicContact CG-CD2 3.9Å; Q280-L388 WeakPolarHBondContact CG-O 3.43Å; Q280-L388 PolarHBondContact NE2-O 3.47Å; L337-L388 HydrophobicContact CD1-CD2 3.75Å; L344-L388 HydrophobicContact CD2-CD1 3.48Å; L344-L388 VanDerWaalsContact CD2-CD1 3.48Å; L344-L388 HydrophobicContact CD2-CG 4.17Å; F384-L388 HydrophobicContact CD2-CB 3.84Å; F384-L388 HydrophobicContact CD2-CD1 4.3Å; F384-L388 HydrophobicContact CE2-CB 3.77Å; F384-L388 HydrophobicContact CE2-CD1 4.35Å; F384-L388 HydrophobicContact CG-CB 4.42Å; F384-L388 HydrophobicContact CZ-CB 4.3Å; F384-L388 PolarHBondContact O-N 3.28Å; F384-L388 VanDerWaalsContact O-N 3.08Å; L388-P392 WeakPolarHBondContact O-CD 3.45Å; L388-P392 WeakPolarHBondContact O-CG 3.33Å |
| 389 | G | 91.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.01 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -75.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F384 G387 | F384-G389 PolarHBondContact O-N 3.03Å; G387-G389 PolarHBondContact O-N 3.31Å |
| 390 | P | 91.4 | Very high | 93 | Very high | 1 Ų | 1 | 6.6 Ų | 6.6 | 1% | 0.006 | 4% | 0.038 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -30.8 | -171.2 | 29.8 | -36.7 | 0 | 0 | 0 | 114.3 | A156 Q159 I328 A385 G387 L394 | A156-P390 HydrophobicContact CB-CB 4.04Å; Q159-P390 HydrophobicContact CB-CB 4.07Å; Q159-P390 HydrophobicContact CG-CB 4.29Å; I328-P390 HydrophobicContact CD1-CB 3.76Å; I328-P390 HydrophobicContact CD1-CG 3.8Å; A385-P390 WeakPolarHBondContact O-CD 3.27Å; G387-P390 VanDerWaalsContact O-CD 3.28Å; G387-P390 WeakPolarHBondContact O-CD 3.38Å; P390-L394 PolarHBondContact O-N 3.32Å |
| 391 | V | 93.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -66.6 | -40.9 | -168.8 | 175.6 | 0 | 0 | 0 | 0 | 113.4 | R333 L336 L337 G387 A393 L394 I395 | R333-V391 HydrophobicContact CB-CG1 4.48Å; L336-V391 HydrophobicContact CB-CG2 3.67Å; L336-V391 HydrophobicContact CD1-CG2 4.49Å; L337-V391 HydrophobicContact CB-CG1 4.03Å; G387-V391 WeakPolarHBondContact O-CB 3.43Å; G387-V391 WeakPolarHBondContact O-CG2 3.48Å; G387-V391 PolarHBondContact O-N 3.41Å; G387-V391 VanDerWaalsContact O-N 3.09Å; V391-A393 PolarHBondContact O-N 3.4Å; V391-L394 PolarHBondContact O-N 2.81Å; V391-I395 HydrophobicContact CG1-CD1 3.38Å; V391-I395 HydrophobicContact CG1-CG1 3.95Å; V391-I395 WeakPolarHBondContact O-CG1 3.39Å; V391-I395 PolarHBondContact O-N 2.89Å |
| 392 | P | 92.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -60.6 | -47.9 | -178.2 | -30.1 | 40.4 | 0 | 0 | 0 | 114.3 | I276 Q280 L388 L394 I395 V396 | I276-P392 HydrophobicContact CD1-CB 4.04Å; I276-P392 HydrophobicContact CD1-CG 4.12Å; I276-P392 HydrophobicContact CG1-CB 3.84Å; I276-P392 HydrophobicContact CG1-CG 3.87Å; I276-P392 HydrophobicContact CG2-CB 4.27Å; Q280-P392 HydrophobicContact CB-CG 4.45Å; L388-P392 WeakPolarHBondContact O-CD 3.45Å; L388-P392 WeakPolarHBondContact O-CG 3.33Å; P392-L394 VanDerWaalsContact C-N 3.28Å; P392-L394 PolarHBondContact O-N 3.49Å; P392-I395 PolarHBondContact O-N 3.16Å; P392-V396 VanDerWaalsContact O-CG2 3.25Å; P392-V396 WeakPolarHBondContact O-CG2 3Å; P392-V396 PolarHBondContact O-N 2.83Å |
| 393 | A | 89.2 | Confident | 90.1 | Very high | 10 Ų | 10 | 9 Ų | 9 | 8% | 0.083 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -60.4 | -40.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V391 S397 | V391-A393 PolarHBondContact O-N 3.4Å; A393-S397 WeakPolarHBondContact O-CB 3.37Å; A393-S397 PolarHBondContact O-N 3.43Å; A393-S397 VanDerWaalsContact O-N 3.09Å |
| 394 | L | 90 | Very high | 89.4 | Confident | 1 Ų | 1 | 9.2 Ų | 9.2 | 1% | 0.005 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.4 | -52.7 | 175.3 | -76.1 | 177.1 | 0 | 0 | 0 | 112.2 | T143 A156 I328 P390 V391 P392 V396 S397 E398 | T143-L394 HydrophobicContact CG2-CD2 4.3Å; A156-L394 HydrophobicContact CB-CD1 4.06Å; I328-L394 HydrophobicContact CD1-CD1 4.07Å; I328-L394 HydrophobicContact CG2-CD1 3.8Å; P390-L394 PolarHBondContact O-N 3.32Å; V391-L394 PolarHBondContact O-N 2.81Å; P392-L394 VanDerWaalsContact C-N 3.28Å; P392-L394 PolarHBondContact O-N 3.49Å; L394-V396 VanDerWaalsContact C-N 3.35Å; L394-V396 PolarHBondContact O-N 3.24Å; L394-S397 CarbonylContact O-C 3.56Å; L394-S397 WeakPolarHBondContact O-CA 3.44Å; L394-S397 WeakPolarHBondContact O-CB 3.46Å; L394-S397 PolarHBondContact O-N 3.3Å; L394-S397 PolarHBondContact O-OG 3.32Å; L394-E398 WeakPolarHBondContact O-CB 3.17Å; L394-E398 WeakPolarHBondContact O-CG 3.16Å; L394-E398 PolarHBondContact O-N 3.09Å |
| 395 | I | 92.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -56.5 | -50 | -179.1 | -77.1 | 175.3 | 0 | 0 | 0 | 110.6 | I272 I276 R333 L337 V391 P392 S397 E398 I399 M457 | I272-I395 HydrophobicContact CG2-CG2 4.16Å; I276-I395 HydrophobicContact CD1-CB 4.09Å; I276-I395 HydrophobicContact CD1-CD1 3.59Å; I276-I395 HydrophobicContact CD1-CG1 4.4Å; I276-I395 HydrophobicContact CD1-CG2 4.1Å; R333-I395 HydrophobicContact CB-CD1 4.38Å; R333-I395 HydrophobicContact CB-CG1 4.13Å; R333-I395 HydrophobicContact CG-CG1 4.47Å; L337-I395 HydrophobicContact CD2-CD1 3.95Å; V391-I395 HydrophobicContact CG1-CD1 3.38Å; V391-I395 HydrophobicContact CG1-CG1 3.95Å; V391-I395 WeakPolarHBondContact O-CG1 3.39Å; V391-I395 PolarHBondContact O-N 2.89Å; P392-I395 PolarHBondContact O-N 3.16Å; I395-S397 PolarHBondContact O-N 3.32Å; I395-E398 PolarHBondContact O-N 3.44Å; I395-I399 HydrophobicContact CG2-CD1 4.24Å; I395-I399 HydrophobicContact CG2-CG2 3.98Å; I395-I399 WeakPolarHBondContact O-CG1 3.33Å; I395-I399 WeakPolarHBondContact O-CG2 3.2Å; I395-I399 PolarHBondContact O-N 3.49Å; I395-M457 HydrophobicContact CB-CE 4.32Å; I395-M457 HydrophobicContact CD1-CE 3.69Å; I395-M457 HydrophobicContact CD1-SD 4.36Å; I395-M457 HydrophobicContact CG1-CE 3.81Å; I395-M457 HydrophobicContact CG2-CE 3.61Å; I395-M457 HydrophobicContact CG2-SD 4.19Å |
| 396 | V | 91.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.4 | -33.7 | 179.5 | -179.7 | 0 | 0 | 0 | 0 | 110.8 | A273 I276 P392 L394 F400 Y409 S412 | A273-V396 HydrophobicContact CB-CG1 4.21Å; A273-V396 HydrophobicContact CB-CG2 4.07Å; I276-V396 HydrophobicContact CG2-CG2 3.84Å; P392-V396 VanDerWaalsContact O-CG2 3.25Å; P392-V396 WeakPolarHBondContact O-CG2 3Å; P392-V396 PolarHBondContact O-N 2.83Å; L394-V396 VanDerWaalsContact C-N 3.35Å; L394-V396 PolarHBondContact O-N 3.24Å; V396-F400 HydrophobicContact CG1-CE2 4.29Å; V396-F400 VanDerWaalsContact O-CD2 3.31Å; V396-F400 WeakPolarHBondContact O-CD2 3.39Å; V396-Y409 HydrophobicContact CB-CD2 4.16Å; V396-Y409 HydrophobicContact CB-CE2 4.1Å; V396-Y409 HydrophobicContact CG1-CD2 3.52Å; V396-Y409 HydrophobicContact CG1-CE2 3.94Å; V396-Y409 HydrophobicContact CG1-CG 4.05Å; V396-S412 WeakPolarHBondContact CG2-OG 3.37Å |
| 397 | S | 87 | Confident | 87.8 | Confident | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -73 | -28.1 | 175.1 | 85.7 | 0 | 0 | 0 | 0 | 113.1 | A393 L394 I395 R405 F465 | A393-S397 WeakPolarHBondContact O-CB 3.37Å; A393-S397 PolarHBondContact O-N 3.43Å; A393-S397 VanDerWaalsContact O-N 3.09Å; L394-S397 CarbonylContact O-C 3.56Å; L394-S397 WeakPolarHBondContact O-CA 3.44Å; L394-S397 WeakPolarHBondContact O-CB 3.46Å; L394-S397 PolarHBondContact O-N 3.3Å; L394-S397 PolarHBondContact O-OG 3.32Å; I395-S397 PolarHBondContact O-N 3.32Å; S397-R405 PolarHBondContact O-NE 3.43Å; S397-R405 PolarHBondContact O-NH2 2.98Å; S397-F465 WeakPolarHBondContact O-CE1 3.28Å |
| 398 | E | 88.2 | Confident | 87.6 | Confident | 8 Ų | 8 | 7 Ų | 7 | 4% | 0.037 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -95.8 | -23.1 | -171.3 | -72.5 | 176.4 | 172.8 | 0 | 0 | 113.8 | R333 L394 I395 T460 F465 | R333-E398 IonicContact CZ-OE1 3.67Å; R333-E398 IonicContact NE-OE1 3.45Å; R333-E398 IonicContact NE-OE2 2.74Å; R333-E398 PolarHBondContact NE-OE2 2.91Å; R333-E398 IonicContact NH2-OE1 3.43Å; R333-E398 PolarHBondContact NH2-OE1 2.64Å; L394-E398 WeakPolarHBondContact O-CB 3.17Å; L394-E398 WeakPolarHBondContact O-CG 3.16Å; L394-E398 PolarHBondContact O-N 3.09Å; I395-E398 PolarHBondContact O-N 3.44Å; E398-T460 HydrophobicContact CB-CG2 4.5Å; E398-T460 VanDerWaalsContact OE2-CB 3.26Å; E398-T460 WeakPolarHBondContact OE2-CB 3.29Å; E398-T460 PolarHBondContact OE2-OG1 3.01Å; E398-F465 WeakPolarHBondContact O-CD1 3.47Å |
| 399 | I | 90.7 | Very high | 87.3 | Confident | 1 Ų | 1 | 6.9 Ų | 6.9 | 1% | 0.005 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -85.8 | -10.7 | -173.5 | 65.7 | -177.9 | 0 | 0 | 0 | 115.7 | P269 I272 A273 I395 M457 T460 V468 L472 | P269-I399 HydrophobicContact CB-CD1 4.48Å; P269-I399 WeakPolarHBondContact O-CD1 3.49Å; I272-I399 HydrophobicContact CB-CD1 4.35Å; I272-I399 HydrophobicContact CG2-CD1 3.89Å; A273-I399 HydrophobicContact CB-CD1 4.18Å; I395-I399 HydrophobicContact CG2-CD1 4.24Å; I395-I399 HydrophobicContact CG2-CG2 3.98Å; I395-I399 WeakPolarHBondContact O-CG1 3.33Å; I395-I399 WeakPolarHBondContact O-CG2 3.2Å; I395-I399 PolarHBondContact O-N 3.49Å; I399-M457 HydrophobicContact CG2-CE 4.23Å; I399-T460 HydrophobicContact CG2-CG2 3.95Å; I399-V468 HydrophobicContact CB-CG1 4.15Å; I399-V468 HydrophobicContact CG2-CG1 3.87Å; I399-L472 HydrophobicContact CB-CD1 3.86Å; I399-L472 HydrophobicContact CG2-CD1 3.95Å |
| 400 | F | 87.4 | Confident | 87.2 | Confident | 2 Ų | 2 | 7 Ų | 7 | 1% | 0.009 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -111 | 141.2 | -178.2 | -63.4 | -79 | 0 | 0 | 0 | 112.6 | P269 V270 A273 V396 P404 R405 A408 | P269-F400 HydrophobicContact CB-CD1 3.99Å; P269-F400 HydrophobicContact CB-CE1 3.42Å; P269-F400 VanDerWaalsContact CB-CE1 3.42Å; P269-F400 HydrophobicContact CB-CZ 3.87Å; P269-F400 WeakPolarHBondContact O-CZ 3.41Å; V270-F400 HydrophobicContact CG2-CE1 3.89Å; V270-F400 HydrophobicContact CG2-CZ 4.2Å; A273-F400 HydrophobicContact CB-CE2 3.68Å; A273-F400 HydrophobicContact CB-CZ 3.71Å; V396-F400 HydrophobicContact CG1-CE2 4.29Å; V396-F400 VanDerWaalsContact O-CD2 3.31Å; V396-F400 WeakPolarHBondContact O-CD2 3.39Å; F400-P404 HydrophobicContact CD1-CG 4.49Å; F400-R405 HydrophobicContact CB-CB 3.86Å; F400-R405 HydrophobicContact CB-CG 4.15Å; F400-A408 HydrophobicContact CD1-CB 3.78Å; F400-A408 HydrophobicContact CD2-CB 3.8Å; F400-A408 HydrophobicContact CE1-CB 3.52Å; F400-A408 HydrophobicContact CE2-CB 3.56Å; F400-A408 HydrophobicContact CG-CB 3.92Å; F400-A408 HydrophobicContact CZ-CB 3.43Å; F400-A408 VanDerWaalsContact CZ-CB 3.43Å |
| 401 | R | 83.2 | Confident | 87.3 | Confident | 60 Ų | 60 | 8 Ų | 8 | 23% | 0.226 | 5% | 0.049 | C | C | . | . | trans | -68.4 | 157.5 | 164.7 | -53.7 | -179.2 | 73.4 | -166.4 | 2.9 | 110.5 | G403 P404 R405 D466 A469 | R401-G403 VanDerWaalsContact C-N 3.28Å; R401-G403 PolarHBondContact O-N 2.95Å; R401-G403 VanDerWaalsContact O-N 3.13Å; R401-P404 WeakPolarHBondContact O-CD 3.47Å; R401-P404 WeakPolarHBondContact O-CG 3.27Å; R401-R405 VanDerWaalsContact O-CB 3.22Å; R401-R405 WeakPolarHBondContact O-CB 3.44Å; R401-R405 PolarHBondContact O-N 3.04Å; R401-R405 VanDerWaalsContact O-N 3.09Å; R401-D466 IonicContact CZ-OD1 2.98Å; R401-D466 IonicContact NE-OD1 3.51Å; R401-D466 PolarHBondContact NE-OD1 3.31Å; R401-D466 IonicContact NH2-OD1 3.71Å; R401-D466 PolarHBondContact NH2-OD1 3.3Å; R401-D466 IonicContact NH2-OD2 2.86Å; R401-A469 HydrophobicContact CG-CB 3.72Å | ||
| 402 | Q | 70.7 | Confident | 87.3 | Confident | 2 Ų | 2 | 8 Ų | 8 | 1% | 0.009 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -58.7 | -35.4 | -167.3 | -165.7 | 71.8 | -3 | 0 | 0 | 113.9 | R90 E144 R210 M214 E245 R405 | R90-Q402 VanDerWaalsContact NH2-NE2 3.12Å; E144-Q402 PolarHBondContact OE1-NE2 2.89Å; E144-Q402 PolarHBondContact OE1-OE1 3.22Å; R210-Q402 HydrophobicContact CG-CG 4.4Å; M214-Q402 HydrophobicContact CB-CG 4.18Å; M214-Q402 HydrophobicContact CE-CB 4.29Å; M214-Q402 HydrophobicContact CG-CG 4.17Å; E245-Q402 WeakPolarHBondContact OE1-CB 3.47Å; E245-Q402 PolarHBondContact OE1-N 3.2Å; Q402-R405 PolarHBondContact O-N 2.82Å |
| 403 | G | 76.9 | Confident | 87.3 | Confident | 29 Ų | 29 | 8 Ų | 8 | 30% | 0.299 | 5% | 0.05 | S | C | . | . | H | α-helix | trans | -53.8 | -65.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R401 | R401-G403 VanDerWaalsContact C-N 3.28Å; R401-G403 PolarHBondContact O-N 2.95Å; R401-G403 VanDerWaalsContact O-N 3.13Å |
| 404 | P | 82.6 | Confident | 87.4 | Confident | 13 Ų | 13 | 8.4 Ų | 8.4 | 8% | 0.084 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -75.3 | -19.1 | 177.7 | 28 | -36 | 0 | 0 | 0 | 114.5 | F255 L260 L266 F400 R401 A406 A407 A408 | F255-P404 HydrophobicContact CD2-CB 4.25Å; F255-P404 HydrophobicContact CE1-CB 4.27Å; F255-P404 HydrophobicContact CE2-CB 3.6Å; F255-P404 HydrophobicContact CZ-CB 3.61Å; L260-P404 HydrophobicContact CD2-CB 4.04Å; L266-P404 HydrophobicContact CD1-CB 3.89Å; L266-P404 HydrophobicContact CD1-CG 4.3Å; L266-P404 HydrophobicContact CD2-CB 4.33Å; L266-P404 HydrophobicContact CD2-CG 3.99Å; F400-P404 HydrophobicContact CD1-CG 4.49Å; R401-P404 WeakPolarHBondContact O-CD 3.47Å; R401-P404 WeakPolarHBondContact O-CG 3.27Å; P404-A406 PolarHBondContact O-N 3.42Å; P404-A407 PolarHBondContact O-N 2.94Å; P404-A408 WeakPolarHBondContact O-CB 3.42Å; P404-A408 PolarHBondContact O-N 3.45Å |
| 405 | R | 85 | Confident | 87.6 | Confident | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -52.1 | -53.1 | -167.3 | -174.9 | 175.2 | -168.3 | -144.4 | -1.1 | 114.2 | L140 T143 E144 S397 F400 R401 Q402 A407 A408 Y409 | L140-R405 HydrophobicContact CD2-CG 4.03Å; T143-R405 PolarHBondContact OG1-NH2 3.33Å; E144-R405 IonicContact OE1-NH1 3.05Å; E144-R405 PolarHBondContact OE1-NH1 3.08Å; S397-R405 PolarHBondContact O-NE 3.43Å; S397-R405 PolarHBondContact O-NH2 2.98Å; F400-R405 HydrophobicContact CB-CB 3.86Å; F400-R405 HydrophobicContact CB-CG 4.15Å; R401-R405 VanDerWaalsContact O-CB 3.22Å; R401-R405 WeakPolarHBondContact O-CB 3.44Å; R401-R405 PolarHBondContact O-N 3.04Å; R401-R405 VanDerWaalsContact O-N 3.09Å; Q402-R405 PolarHBondContact O-N 2.82Å; R405-A407 VanDerWaalsContact C-N 3.34Å; R405-A407 PolarHBondContact O-N 3.06Å; R405-A408 PolarHBondContact O-N 3.29Å; R405-Y409 WeakPolarHBondContact O-CB 3.44Å; R405-Y409 PolarHBondContact O-N 3.14Å |
| 406 | A | 84 | Confident | 87.6 | Confident | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.008 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63 | -41.5 | -177 | 0 | 0 | 0 | 0 | 0 | 112.2 | D86 P404 S410 | D86-A406 WeakPolarHBondContact OD1-CB 3.36Å; P404-A406 PolarHBondContact O-N 3.42Å; A406-S410 PolarHBondContact O-N 3.37Å; A406-S410 PolarHBondContact O-OG 3.09Å |
| 407 | A | 86.4 | Confident | 87.5 | Confident | 14 Ų | 14 | 11.1 Ų | 11.1 | 12% | 0.116 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -67.7 | -45.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F255 F257 L260 P404 R405 Y409 S410 L411 | F255-A407 HydrophobicContact CE1-CB 3.74Å; F255-A407 HydrophobicContact CZ-CB 4.49Å; F257-A407 HydrophobicContact CD2-CB 3.73Å; F257-A407 HydrophobicContact CE2-CB 4.11Å; L260-A407 HydrophobicContact CD1-CB 3.97Å; P404-A407 PolarHBondContact O-N 2.94Å; R405-A407 VanDerWaalsContact C-N 3.34Å; R405-A407 PolarHBondContact O-N 3.06Å; A407-Y409 VanDerWaalsContact C-N 3.34Å; A407-S410 WeakPolarHBondContact O-CB 3.42Å; A407-S410 PolarHBondContact O-N 3.27Å; A407-L411 PolarHBondContact O-N 3Å |
| 408 | A | 89.8 | Confident | 87.7 | Confident | 2 Ų | 2 | 15.5 Ų | 15.5 | 2% | 0.017 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.9 | -39.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L260 F400 P404 R405 S410 L411 S412 | L260-A408 HydrophobicContact CD2-CB 3.8Å; F400-A408 HydrophobicContact CD1-CB 3.78Å; F400-A408 HydrophobicContact CD2-CB 3.8Å; F400-A408 HydrophobicContact CE1-CB 3.52Å; F400-A408 HydrophobicContact CE2-CB 3.56Å; F400-A408 HydrophobicContact CG-CB 3.92Å; F400-A408 HydrophobicContact CZ-CB 3.43Å; F400-A408 VanDerWaalsContact CZ-CB 3.43Å; P404-A408 WeakPolarHBondContact O-CB 3.42Å; P404-A408 PolarHBondContact O-N 3.45Å; R405-A408 PolarHBondContact O-N 3.29Å; A408-S410 VanDerWaalsContact C-N 3.34Å; A408-L411 PolarHBondContact O-N 2.94Å; A408-S412 VanDerWaalsContact O-CB 3.28Å; A408-S412 WeakPolarHBondContact O-CB 3.27Å; A408-S412 PolarHBondContact O-N 3.11Å |
| 409 | Y | 88.9 | Confident | 88 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.8 | -42.6 | 174.3 | -156.8 | -75.6 | 0 | 0 | 0 | 110.6 | I135 S139 L140 V396 R405 A407 S412 Q413 | I135-Y409 WeakPolarHBondContact O-CE1 3.4Å; S139-Y409 WeakPolarHBondContact CB-OH 3.46Å; S139-Y409 PolarHBondContact OG-OH 2.92Å; L140-Y409 HydrophobicContact CD2-CD2 4.13Å; L140-Y409 HydrophobicContact CD2-CG 4.46Å; L140-Y409 HydrophobicContact CG-CD2 4.45Å; L140-Y409 HydrophobicContact CG-CG 4.47Å; V396-Y409 HydrophobicContact CB-CD2 4.16Å; V396-Y409 HydrophobicContact CB-CE2 4.1Å; V396-Y409 HydrophobicContact CG1-CD2 3.52Å; V396-Y409 HydrophobicContact CG1-CE2 3.94Å; V396-Y409 HydrophobicContact CG1-CG 4.05Å; R405-Y409 WeakPolarHBondContact O-CB 3.44Å; R405-Y409 PolarHBondContact O-N 3.14Å; A407-Y409 VanDerWaalsContact C-N 3.34Å; Y409-S412 PolarHBondContact O-N 3.19Å; Y409-Q413 HydrophobicContact CD1-CG 3.5Å; Y409-Q413 HydrophobicContact CE1-CG 3.34Å; Y409-Q413 VanDerWaalsContact CZ-NE2 3.28Å; Y409-Q413 WeakPolarHBondContact O-CB 3.28Å; Y409-Q413 VanDerWaalsContact O-CG 3.26Å; Y409-Q413 WeakPolarHBondContact O-CG 3.48Å; Y409-Q413 PolarHBondContact O-N 2.99Å; Y409-Q413 PolarHBondContact OH-NE2 3.25Å; Y409-Q413 VanDerWaalsContact OH-NE2 3.14Å |
| 410 | S | 90.5 | Very high | 88 | Confident | 3 Ų | 3 | 16.2 Ų | 16.2 | 2% | 0.021 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.1 | -48.2 | 176.3 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | C81 G82 A406 A407 A408 S412 Q413 S414 | C81-S410 PolarHBondContact SG-OG 2.89Å; G82-S410 WeakPolarHBondContact CA-OG 3.02Å; G82-S410 PolarHBondContact N-OG 3.18Å; A406-S410 PolarHBondContact O-N 3.37Å; A406-S410 PolarHBondContact O-OG 3.09Å; A407-S410 WeakPolarHBondContact O-CB 3.42Å; A407-S410 PolarHBondContact O-N 3.27Å; A408-S410 VanDerWaalsContact C-N 3.34Å; S410-S412 PolarHBondContact O-N 3.15Å; S410-Q413 PolarHBondContact O-N 2.97Å; S410-S414 WeakPolarHBondContact O-CB 3.49Å; S410-S414 PolarHBondContact O-N 3.42Å; S410-S414 PolarHBondContact O-OG 3.28Å; S410-S414 VanDerWaalsContact O-OG 3.06Å |
| 411 | L | 92.5 | Very high | 88 | Confident | 22 Ų | 22 | 17.9 Ų | 17.9 | 12% | 0.115 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -57.7 | -48.8 | 176.5 | 176.3 | 63.6 | 0 | 0 | 0 | 111.6 | F257 L260 F261 V270 A407 A408 Q413 S414 I415 | F257-L411 HydrophobicContact CZ-CB 4.38Å; L260-L411 HydrophobicContact CD1-CB 4.48Å; L260-L411 HydrophobicContact CD1-CD2 4.17Å; F261-L411 HydrophobicContact CE1-CD2 3.83Å; F261-L411 HydrophobicContact CE2-CD2 4.49Å; F261-L411 HydrophobicContact CZ-CD1 4.08Å; F261-L411 HydrophobicContact CZ-CD2 3.54Å; F261-L411 HydrophobicContact CZ-CG 4.46Å; V270-L411 HydrophobicContact CG1-CD2 3.93Å; A407-L411 PolarHBondContact O-N 3Å; A408-L411 PolarHBondContact O-N 2.94Å; L411-Q413 PolarHBondContact O-N 3.21Å; L411-S414 PolarHBondContact O-N 2.95Å; L411-I415 HydrophobicContact CD1-CD1 4.08Å; L411-I415 HydrophobicContact CG-CD1 4.1Å; L411-I415 WeakPolarHBondContact O-CG1 3.31Å; L411-I415 PolarHBondContact O-N 3.46Å |
| 412 | S | 94.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -56.8 | -49.7 | 177.3 | 177.2 | 0 | 0 | 0 | 0 | 111.1 | A273 Q277 V396 A408 Y409 S410 S414 I415 Q416 | A273-S412 WeakPolarHBondContact O-CB 3.45Å; A273-S412 PolarHBondContact O-OG 3.47Å; Q277-S412 WeakPolarHBondContact CG-O 3.46Å; Q277-S412 WeakPolarHBondContact CG-OG 3.49Å; Q277-S412 PolarHBondContact NE2-OG 3.35Å; V396-S412 WeakPolarHBondContact CG2-OG 3.37Å; A408-S412 VanDerWaalsContact O-CB 3.28Å; A408-S412 WeakPolarHBondContact O-CB 3.27Å; A408-S412 PolarHBondContact O-N 3.11Å; Y409-S412 PolarHBondContact O-N 3.19Å; S410-S412 PolarHBondContact O-N 3.15Å; S412-S414 PolarHBondContact O-N 2.87Å; S412-I415 WeakPolarHBondContact O-CB 3.19Å; S412-I415 PolarHBondContact O-N 3.23Å; S412-I415 VanDerWaalsContact O-N 3.16Å; S412-Q416 PolarHBondContact O-N 3.46Å |
| 413 | Q | 92.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -68.8 | -34.5 | -179.8 | -63.1 | -58.7 | -11.5 | 0 | 0 | 113.2 | A78 I135 Y409 S410 L411 I415 Q416 W417 | A78-Q413 HydrophobicContact CB-CB 3.81Å; I135-Q413 HydrophobicContact CG2-CB 4.21Å; I135-Q413 HydrophobicContact CG2-CG 4.23Å; Y409-Q413 HydrophobicContact CD1-CG 3.5Å; Y409-Q413 HydrophobicContact CE1-CG 3.34Å; Y409-Q413 VanDerWaalsContact CZ-NE2 3.28Å; Y409-Q413 WeakPolarHBondContact O-CB 3.28Å; Y409-Q413 VanDerWaalsContact O-CG 3.26Å; Y409-Q413 WeakPolarHBondContact O-CG 3.48Å; Y409-Q413 PolarHBondContact O-N 2.99Å; Y409-Q413 PolarHBondContact OH-NE2 3.25Å; Y409-Q413 VanDerWaalsContact OH-NE2 3.14Å; S410-Q413 PolarHBondContact O-N 2.97Å; L411-Q413 PolarHBondContact O-N 3.21Å; Q413-I415 VanDerWaalsContact C-N 3.29Å; Q413-I415 PolarHBondContact O-N 3.41Å; Q413-Q416 VanDerWaalsContact O-CB 3.27Å; Q413-Q416 WeakPolarHBondContact O-CB 3.37Å; Q413-Q416 PolarHBondContact O-N 3.28Å; Q413-W417 PolarHBondContact O-N 3.36Å |
| 414 | S | 91.1 | Very high | 89.7 | Confident | 18 Ų | 18 | 20.2 Ų | 20.2 | 13% | 0.126 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61 | -40.2 | 170.7 | -65.2 | 0 | 0 | 0 | 0 | 111.9 | F79 S410 L411 S412 Q416 W417 L418 | F79-S414 WeakPolarHBondContact CA-OG 3.49Å; F79-S414 WeakPolarHBondContact CB-OG 3.34Å; F79-S414 PolarHBondContact N-OG 3.47Å; F79-S414 VanDerWaalsContact N-OG 3.11Å; S410-S414 WeakPolarHBondContact O-CB 3.49Å; S410-S414 PolarHBondContact O-N 3.42Å; S410-S414 PolarHBondContact O-OG 3.28Å; S410-S414 VanDerWaalsContact O-OG 3.06Å; L411-S414 PolarHBondContact O-N 2.95Å; S412-S414 PolarHBondContact O-N 2.87Å; S414-Q416 VanDerWaalsContact C-N 3.31Å; S414-W417 PolarHBondContact O-N 2.99Å; S414-L418 VanDerWaalsContact O-CB 3.3Å; S414-L418 WeakPolarHBondContact O-CB 3.22Å; S414-L418 PolarHBondContact O-N 3.45Å |
| 415 | I | 93.7 | Very high | 89.9 | Confident | 38 Ų | 38 | 23.1 Ų | 23.1 | 20% | 0.195 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.8 | -36.1 | 174.8 | -70.2 | 165.9 | 0 | 0 | 0 | 110.9 | C274 Q277 V278 L411 S412 Q413 L418 S419 | C274-I415 HydrophobicContact CB-CD1 3.63Å; C274-I415 WeakPolarHBondContact SG-CD1 3.4Å; Q277-I415 HydrophobicContact CB-CG2 4.47Å; V278-I415 HydrophobicContact CG2-CG2 3.69Å; L411-I415 HydrophobicContact CD1-CD1 4.08Å; L411-I415 HydrophobicContact CG-CD1 4.1Å; L411-I415 WeakPolarHBondContact O-CG1 3.31Å; L411-I415 PolarHBondContact O-N 3.46Å; S412-I415 WeakPolarHBondContact O-CB 3.19Å; S412-I415 PolarHBondContact O-N 3.23Å; S412-I415 VanDerWaalsContact O-N 3.16Å; Q413-I415 VanDerWaalsContact C-N 3.29Å; Q413-I415 PolarHBondContact O-N 3.41Å; I415-L418 PolarHBondContact O-N 3.24Å; I415-S419 WeakPolarHBondContact O-CB 3.34Å; I415-S419 PolarHBondContact O-N 2.94Å; I415-S419 PolarHBondContact O-OG 2.97Å |
| 416 | Q | 93 | Very high | 90 | Very high | 15 Ų | 15 | 25 Ų | 25 | 7% | 0.07 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.7 | -54.1 | 172.8 | -169.3 | -165.3 | 90.5 | 0 | 0 | 111 | Q277 Q280 Q281 S412 Q413 S414 L418 S419 N420 | Q277-Q416 HydrophobicContact CB-CB 3.89Å; Q277-Q416 HydrophobicContact CB-CG 4.42Å; Q277-Q416 HydrophobicContact CG-CB 4.22Å; Q280-Q416 VanDerWaalsContact OE1-NE2 3.1Å; Q281-Q416 HydrophobicContact CG-CG 3.9Å; Q281-Q416 WeakPolarHBondContact CG-O 3.44Å; S412-Q416 PolarHBondContact O-N 3.46Å; Q413-Q416 VanDerWaalsContact O-CB 3.27Å; Q413-Q416 WeakPolarHBondContact O-CB 3.37Å; Q413-Q416 PolarHBondContact O-N 3.28Å; S414-Q416 VanDerWaalsContact C-N 3.31Å; Q416-L418 PolarHBondContact O-N 2.83Å; Q416-S419 WeakPolarHBondContact O-CB 3.47Å; Q416-S419 PolarHBondContact O-N 3.45Å; Q416-N420 PolarHBondContact O-N 3.17Å |
| 417 | W | 90.3 | Very high | 90.1 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 2% | 0.019 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.1 | -35 | -178.9 | -70 | 107.7 | 0 | 0 | 0 | 113.2 | L32 F70 V71 A74 A75 A78 I135 Q413 S414 N420 L421 | L32-W417 HydrophobicContact CD2-CH2 4.2Å; L32-W417 HydrophobicContact CD2-CZ3 4.29Å; F70-W417 HydrophobicContact CE1-CH2 4.21Å; F70-W417 HydrophobicContact CE1-CZ3 4.15Å; V71-W417 HydrophobicContact CG1-CE3 4.24Å; A74-W417 HydrophobicContact CB-CD2 3.49Å; A74-W417 VanDerWaalsContact CB-CD2 3.49Å; A74-W417 HydrophobicContact CB-CE3 3.62Å; A74-W417 HydrophobicContact CB-CG 4.1Å; A74-W417 HydrophobicContact CB-CH2 3.87Å; A74-W417 HydrophobicContact CB-CZ2 3.76Å; A74-W417 HydrophobicContact CB-CZ3 3.81Å; A75-W417 VanDerWaalsContact CA-CB 3.5Å; A75-W417 HydrophobicContact CB-CB 3.54Å; A75-W417 HydrophobicContact CB-CG 4.44Å; A78-W417 VanDerWaalsContact CB-CD1 3.46Å; I135-W417 HydrophobicContact CD1-CZ2 4.31Å; Q413-W417 PolarHBondContact O-N 3.36Å; S414-W417 PolarHBondContact O-N 2.99Å; W417-N420 WeakPolarHBondContact O-CB 3.41Å; W417-N420 PolarHBondContact O-N 3.23Å; W417-L421 WeakPolarHBondContact O-CB 3.09Å; W417-L421 PolarHBondContact O-N 3.15Å |
| 418 | L | 90.6 | Very high | 90.1 | Very high | 92 Ų | 92 | 28.1 Ų | 28.1 | 48% | 0.482 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -64.8 | -41.4 | 172.8 | -178.6 | 60.4 | 0 | 0 | 0 | 111.4 | S414 I415 Q416 N420 L421 I422 | S414-L418 VanDerWaalsContact O-CB 3.3Å; S414-L418 WeakPolarHBondContact O-CB 3.22Å; S414-L418 PolarHBondContact O-N 3.45Å; I415-L418 PolarHBondContact O-N 3.24Å; Q416-L418 PolarHBondContact O-N 2.83Å; L418-N420 VanDerWaalsContact C-N 3.33Å; L418-L421 HydrophobicContact CD1-CD2 4.43Å; L418-L421 WeakPolarHBondContact O-CB 3.19Å; L418-L421 PolarHBondContact O-N 2.92Å; L418-I422 HydrophobicContact CG-CD1 4.35Å; L418-I422 WeakPolarHBondContact O-CG1 3.4Å; L418-I422 PolarHBondContact O-N 3.1Å |
| 419 | S | 93.3 | Very high | 90 | Very high | 7 Ų | 7 | 32 Ų | 32 | 5% | 0.049 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.6 | -42.7 | 174.7 | -62.6 | 0 | 0 | 0 | 0 | 110.9 | I415 Q416 L421 I422 V423 | I415-S419 WeakPolarHBondContact O-CB 3.34Å; I415-S419 PolarHBondContact O-N 2.94Å; I415-S419 PolarHBondContact O-OG 2.97Å; Q416-S419 WeakPolarHBondContact O-CB 3.47Å; Q416-S419 PolarHBondContact O-N 3.45Å; S419-L421 VanDerWaalsContact C-N 3.35Å; S419-L421 PolarHBondContact O-N 3.46Å; S419-I422 PolarHBondContact O-N 3.3Å; S419-V423 WeakPolarHBondContact O-CG2 3.22Å; S419-V423 PolarHBondContact O-N 3.39Å |
| 420 | N | 90.7 | Very high | 90 | Very high | 17 Ų | 17 | 34.2 Ų | 34.2 | 9% | 0.091 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.4 | -45.4 | 173.4 | -172.7 | 5.4 | 0 | 0 | 0 | 111.4 | V71 Q281 N286 Q416 W417 L418 I422 V423 L424 | V71-N420 HydrophobicContact CG1-CB 4.41Å; Q281-N420 HydrophobicContact CG-CB 4.28Å; N286-N420 PolarHBondContact ND2-OD1 3.46Å; Q416-N420 PolarHBondContact O-N 3.17Å; W417-N420 WeakPolarHBondContact O-CB 3.41Å; W417-N420 PolarHBondContact O-N 3.23Å; L418-N420 VanDerWaalsContact C-N 3.33Å; N420-I422 PolarHBondContact O-N 3.43Å; N420-V423 PolarHBondContact O-N 2.99Å; N420-L424 WeakPolarHBondContact O-CB 3.39Å; N420-L424 PolarHBondContact O-N 2.99Å |
| 421 | L | 89 | Confident | 89.8 | Confident | 36 Ų | 36 | 36.5 Ų | 36.5 | 19% | 0.188 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.8 | -44.4 | 176.5 | -177.2 | 64.2 | 0 | 0 | 0 | 112.1 | T68 V71 V72 W417 L418 S419 V423 L424 C425 | T68-L421 HydrophobicContact CG2-CD1 3.66Å; V71-L421 HydrophobicContact CG1-CB 3.9Å; V71-L421 HydrophobicContact CG1-CD1 4.27Å; V72-L421 HydrophobicContact CG2-CD1 3.98Å; V72-L421 HydrophobicContact CG2-CD2 3.94Å; W417-L421 WeakPolarHBondContact O-CB 3.09Å; W417-L421 PolarHBondContact O-N 3.15Å; L418-L421 HydrophobicContact CD1-CD2 4.43Å; L418-L421 WeakPolarHBondContact O-CB 3.19Å; L418-L421 PolarHBondContact O-N 2.92Å; S419-L421 VanDerWaalsContact C-N 3.35Å; S419-L421 PolarHBondContact O-N 3.46Å; L421-V423 VanDerWaalsContact C-N 3.31Å; L421-V423 PolarHBondContact O-N 3.35Å; L421-L424 PolarHBondContact O-N 3.23Å; L421-C425 PolarHBondContact O-N 2.96Å; L421-C425 PolarHBondContact O-SG 3.3Å |
| 422 | I | 90.2 | Very high | 89.6 | Confident | 89 Ų | 89 | 44.1 Ų | 44.1 | 46% | 0.456 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.8 | -47.1 | 176 | -70 | 164.6 | 0 | 0 | 0 | 110 | L418 S419 N420 S426 | L418-I422 HydrophobicContact CG-CD1 4.35Å; L418-I422 WeakPolarHBondContact O-CG1 3.4Å; L418-I422 PolarHBondContact O-N 3.1Å; S419-I422 PolarHBondContact O-N 3.3Å; N420-I422 PolarHBondContact O-N 3.43Å; I422-S426 WeakPolarHBondContact O-CB 3.25Å; I422-S426 PolarHBondContact O-N 3.34Å; I422-S426 PolarHBondContact O-OG 3.33Å |
| 423 | V | 89.9 | Confident | 89.4 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.2 | -49.7 | 177 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | L282 N286 S419 N420 L421 C425 S426 Y427 F442 | L282-V423 HydrophobicContact CD1-CG2 4.21Å; L282-V423 HydrophobicContact CG-CG2 4.15Å; N286-V423 HydrophobicContact CB-CG1 3.99Å; S419-V423 WeakPolarHBondContact O-CG2 3.22Å; S419-V423 PolarHBondContact O-N 3.39Å; N420-V423 PolarHBondContact O-N 2.99Å; L421-V423 VanDerWaalsContact C-N 3.31Å; L421-V423 PolarHBondContact O-N 3.35Å; V423-C425 VanDerWaalsContact C-N 3.33Å; V423-C425 PolarHBondContact O-N 3.44Å; V423-S426 PolarHBondContact O-N 3.36Å; V423-Y427 WeakPolarHBondContact O-CB 3.33Å; V423-Y427 PolarHBondContact O-N 3.11Å; V423-F442 HydrophobicContact CG1-CE1 4.31Å; V423-F442 HydrophobicContact CG1-CZ 4.24Å; V423-F442 HydrophobicContact CG2-CE1 4.05Å |
| 424 | L | 84.9 | Confident | 89.3 | Confident | 49 Ų | 49 | 53.2 Ų | 53.2 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.6 | -43.1 | -178.3 | -176.8 | 63.9 | 0 | 0 | 0 | 112.8 | T68 V71 N420 L421 P428 | T68-L424 WeakPolarHBondContact OG1-CD2 3.2Å; V71-L424 HydrophobicContact CG2-CD2 4.24Å; N420-L424 WeakPolarHBondContact O-CB 3.39Å; N420-L424 PolarHBondContact O-N 2.99Å; L421-L424 PolarHBondContact O-N 3.23Å; L424-P428 VanDerWaalsContact O-CD 3.29Å; L424-P428 WeakPolarHBondContact O-CD 3.32Å |
| 425 | C | 86.3 | Confident | 89 | Confident | 74 Ų | 74 | 53.6 Ų | 53.6 | 50% | 0.5 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -80.7 | -37.6 | -177.9 | -65.5 | 0 | 0 | 0 | 0 | 113.4 | L421 V423 | L421-C425 PolarHBondContact O-N 2.96Å; L421-C425 PolarHBondContact O-SG 3.3Å; V423-C425 VanDerWaalsContact C-N 3.33Å; V423-C425 PolarHBondContact O-N 3.44Å |
| 426 | S | 87.2 | Confident | 88.4 | Confident | 41 Ų | 41 | 51.8 Ų | 51.8 | 29% | 0.287 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -83.8 | -32.5 | -175.5 | 63.7 | 0 | 0 | 0 | 0 | 113 | I422 V423 V429 I430 | I422-S426 WeakPolarHBondContact O-CB 3.25Å; I422-S426 PolarHBondContact O-N 3.34Å; I422-S426 PolarHBondContact O-OG 3.33Å; V423-S426 PolarHBondContact O-N 3.36Å; S426-V429 PolarHBondContact O-N 2.97Å; S426-I430 WeakPolarHBondContact O-CG1 3.41Å; S426-I430 PolarHBondContact O-N 2.85Å |
| 427 | Y | 87.5 | Confident | 88.3 | Confident | 10 Ų | 10 | 57 Ų | 57 | 4% | 0.039 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.1 | -45.9 | -168.5 | 176.9 | -104.2 | 0 | 0 | 0 | 114.7 | A287 T290 Y291 V423 V429 I430 Q431 F442 | A287-Y427 HydrophobicContact CB-CD2 3.76Å; A287-Y427 HydrophobicContact CB-CE1 4.27Å; A287-Y427 HydrophobicContact CB-CE2 3.23Å; A287-Y427 HydrophobicContact CB-CG 4.43Å; A287-Y427 PolarHBondContact O-OH 2.92Å; T290-Y427 HydrophobicContact CG2-CE1 4.03Å; Y291-Y427 WeakPolarHBondContact CD2-OH 2.96Å; Y291-Y427 WeakPolarHBondContact CE2-OH 3.37Å; V423-Y427 WeakPolarHBondContact O-CB 3.33Å; V423-Y427 PolarHBondContact O-N 3.11Å; Y427-V429 PolarHBondContact O-N 3.18Å; Y427-I430 PolarHBondContact O-N 3.13Å; Y427-I430 VanDerWaalsContact O-N 3.16Å; Y427-Q431 HydrophobicContact CE1-CB 4.44Å; Y427-Q431 VanDerWaalsContact CE1-OE1 3.23Å; Y427-Q431 WeakPolarHBondContact O-CB 3.46Å; Y427-Q431 PolarHBondContact O-N 3.21Å; Y427-F442 AromaticContact CD2-CE2 3.84Å; Y427-F442 HydrophobicContact CD2-CE2 3.84Å; Y427-F442 AromaticContact CD2-CZ 3.91Å; Y427-F442 HydrophobicContact CD2-CZ 3.91Å; Y427-F442 HydrophobicContact CE2-CE2 4.04Å |
| 428 | P | 85 | Confident | 88.3 | Confident | 69 Ų | 69 | 56.8 Ų | 56.8 | 45% | 0.448 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.9 | -36.6 | 177.8 | -25.1 | 35.6 | 0 | 0 | 0 | 112.9 | L424 K432 | L424-P428 VanDerWaalsContact O-CD 3.29Å; L424-P428 WeakPolarHBondContact O-CD 3.32Å; P428-K432 VanDerWaalsContact O-CB 3.31Å; P428-K432 WeakPolarHBondContact O-CB 3.38Å; P428-K432 PolarHBondContact O-N 3.43Å |
| 429 | V | 88.1 | Confident | 88.4 | Confident | 84 Ų | 84 | 52.5 Ų | 52.5 | 51% | 0.509 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.1 | -44.5 | 177.2 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | S426 Y427 K432 N433 | S426-V429 PolarHBondContact O-N 2.97Å; Y427-V429 PolarHBondContact O-N 3.18Å; V429-K432 PolarHBondContact O-N 3.44Å; V429-N433 WeakPolarHBondContact O-CB 3.5Å; V429-N433 VanDerWaalsContact O-CG 3.29Å; V429-N433 PolarHBondContact O-N 2.53Å; V429-N433 VanDerWaalsContact O-N 3.1Å; V429-N433 PolarHBondContact O-ND2 3.38Å |
| 430 | I | 90.1 | Very high | 88.4 | Confident | 46 Ų | 46 | 55.3 Ų | 55.3 | 24% | 0.236 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.4 | -51.8 | 175.2 | -66.5 | 167.9 | 0 | 0 | 0 | 109.6 | S426 Y427 K432 N433 I434 | S426-I430 WeakPolarHBondContact O-CG1 3.41Å; S426-I430 PolarHBondContact O-N 2.85Å; Y427-I430 PolarHBondContact O-N 3.13Å; Y427-I430 VanDerWaalsContact O-N 3.16Å; I430-K432 VanDerWaalsContact C-N 3.33Å; I430-K432 PolarHBondContact O-N 3.16Å; I430-N433 PolarHBondContact O-N 3.4Å; I430-N433 VanDerWaalsContact O-N 3.14Å; I430-I434 HydrophobicContact CG2-CD1 3.72Å; I430-I434 HydrophobicContact CG2-CG1 3.8Å; I430-I434 WeakPolarHBondContact O-CG1 3.28Å; I430-I434 PolarHBondContact O-N 3.21Å |
| 431 | Q | 86.5 | Confident | 88.6 | Confident | 52 Ų | 52 | 57.1 Ų | 57.1 | 24% | 0.243 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.4 | -44.5 | 179.7 | -179.2 | 176.7 | 1 | 0 | 0 | 112 | Y291 Y427 N433 G435 | Y291-Q431 HydrophobicContact CE2-CG 3.89Å; Y291-Q431 VanDerWaalsContact CE2-NE2 3.33Å; Y427-Q431 HydrophobicContact CE1-CB 4.44Å; Y427-Q431 VanDerWaalsContact CE1-OE1 3.23Å; Y427-Q431 WeakPolarHBondContact O-CB 3.46Å; Y427-Q431 PolarHBondContact O-N 3.21Å; Q431-N433 VanDerWaalsContact C-N 3.3Å; Q431-N433 PolarHBondContact O-N 3.05Å; Q431-G435 VanDerWaalsContact O-CA 3.27Å; Q431-G435 WeakPolarHBondContact O-CA 3.32Å; Q431-G435 PolarHBondContact O-N 3.4Å |
| 432 | K | 87 | Confident | 88.9 | Confident | 182 Ų | 182 | 55.9 Ų | 55.9 | 79% | 0.791 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.6 | -38 | 178.2 | -177.1 | 178.2 | 177.9 | 179.7 | 0 | 112.7 | P428 V429 I430 | P428-K432 VanDerWaalsContact O-CB 3.31Å; P428-K432 WeakPolarHBondContact O-CB 3.38Å; P428-K432 PolarHBondContact O-N 3.43Å; V429-K432 PolarHBondContact O-N 3.44Å; I430-K432 VanDerWaalsContact C-N 3.33Å; I430-K432 PolarHBondContact O-N 3.16Å |
| 433 | N | 90.3 | Very high | 89.2 | Confident | 119 Ų | 119 | 52.7 Ų | 52.7 | 64% | 0.636 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -86.8 | -32.9 | -173 | -69.4 | -15.9 | 0 | 0 | 0 | 113.7 | V429 I430 Q431 | V429-N433 WeakPolarHBondContact O-CB 3.5Å; V429-N433 VanDerWaalsContact O-CG 3.29Å; V429-N433 PolarHBondContact O-N 2.53Å; V429-N433 VanDerWaalsContact O-N 3.1Å; V429-N433 PolarHBondContact O-ND2 3.38Å; I430-N433 PolarHBondContact O-N 3.4Å; I430-N433 VanDerWaalsContact O-N 3.14Å; Q431-N433 VanDerWaalsContact C-N 3.3Å; Q431-N433 PolarHBondContact O-N 3.05Å |
| 434 | I | 90.6 | Very high | 89.5 | Confident | 73 Ų | 73 | 56.6 Ų | 56.6 | 37% | 0.374 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -125 | 7.3 | -174.1 | 67.7 | 167.4 | 0 | 0 | 0 | 114.2 | I430 G436 Y437 | I430-I434 HydrophobicContact CG2-CD1 3.72Å; I430-I434 HydrophobicContact CG2-CG1 3.8Å; I430-I434 WeakPolarHBondContact O-CG1 3.28Å; I430-I434 PolarHBondContact O-N 3.21Å; I434-G436 PolarHBondContact O-N 3.35Å; I434-Y437 WeakPolarHBondContact CD1-O 3.13Å; I434-Y437 WeakPolarHBondContact O-CB 3.41Å; I434-Y437 WeakPolarHBondContact O-CD2 3.33Å; I434-Y437 PolarHBondContact O-N 3.07Å |
| 435 | G | 84.8 | Confident | 90.1 | Very high | 26 Ų | 26 | 56 Ų | 56 | 27% | 0.268 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | 53.4 | -129.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y291 Q431 Y437 S438 | Y291-G435 VanDerWaalsContact OH-C 3.29Å; Y291-G435 PolarHBondContact OH-O 2.61Å; Y291-G435 VanDerWaalsContact OH-O 3.07Å; Q431-G435 VanDerWaalsContact O-CA 3.27Å; Q431-G435 WeakPolarHBondContact O-CA 3.32Å; Q431-G435 PolarHBondContact O-N 3.4Å; G435-Y437 PolarHBondContact O-N 3.16Å; G435-S438 VanDerWaalsContact O-CB 3.27Å; G435-S438 WeakPolarHBondContact O-CB 3.18Å; G435-S438 PolarHBondContact O-N 3.24Å; G435-S438 VanDerWaalsContact O-N 3.1Å; G435-S438 PolarHBondContact O-OG 3.19Å |
| 436 | G | 81.1 | Confident | 90.6 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -63.5 | -14.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | N356 I434 S438 | N356-G436 PolarHBondContact ND2-O 3.19Å; I434-G436 PolarHBondContact O-N 3.35Å; G436-S438 PolarHBondContact O-N 3.3Å |
| 437 | Y | 90.9 | Very high | 91.1 | Very high | 125 Ų | 125 | 53.7 Ų | 53.7 | 49% | 0.49 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -75.2 | -2.3 | 172.5 | -61 | -80.9 | 0 | 0 | 0 | 113.3 | T352 N356 I434 G435 F439 L440 | T352-Y437 HydrophobicContact CG2-CD1 4.04Å; N356-Y437 PolarHBondContact ND2-N 3.22Å; N356-Y437 WeakPolarHBondContact OD1-CD2 3.21Å; N356-Y437 WeakPolarHBondContact OD1-CE2 3.39Å; I434-Y437 WeakPolarHBondContact CD1-O 3.13Å; I434-Y437 WeakPolarHBondContact O-CB 3.41Å; I434-Y437 WeakPolarHBondContact O-CD2 3.33Å; I434-Y437 PolarHBondContact O-N 3.07Å; G435-Y437 PolarHBondContact O-N 3.16Å; Y437-F439 PolarHBondContact O-N 2.85Å; Y437-F439 VanDerWaalsContact O-N 3.07Å; Y437-L440 HydrophobicContact CD1-CD1 3.82Å; Y437-L440 WeakPolarHBondContact O-CB 3.36Å; Y437-L440 PolarHBondContact O-N 3.02Å |
| 438 | S | 90.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -58.7 | -19.3 | 178.8 | 66.2 | 0 | 0 | 0 | 0 | 114.5 | G435 G436 P441 F442 | G435-S438 VanDerWaalsContact O-CB 3.27Å; G435-S438 WeakPolarHBondContact O-CB 3.18Å; G435-S438 PolarHBondContact O-N 3.24Å; G435-S438 VanDerWaalsContact O-N 3.1Å; G435-S438 PolarHBondContact O-OG 3.19Å; G436-S438 PolarHBondContact O-N 3.3Å; S438-P441 WeakPolarHBondContact O-CD 3.32Å; S438-F442 VanDerWaalsContact O-CD2 3.32Å; S438-F442 WeakPolarHBondContact O-CD2 3.23Å; S438-F442 WeakPolarHBondContact O-CE2 3.3Å |
| 439 | F | 92.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -79.7 | -22.3 | 176.8 | -59 | -63.8 | 0 | 0 | 0 | 114.1 | A287 V288 Y291 L348 L351 T352 V355 Y437 F442 L443 | A287-F439 HydrophobicContact CB-CE1 4.29Å; V288-F439 HydrophobicContact CG2-CD1 4.47Å; V288-F439 HydrophobicContact CG2-CE1 4.07Å; Y291-F439 HydrophobicContact CD1-CE2 4.41Å; Y291-F439 HydrophobicContact CD1-CZ 4.14Å; Y291-F439 HydrophobicContact CD2-CE1 4.31Å; Y291-F439 HydrophobicContact CD2-CE2 4.44Å; Y291-F439 AromaticContact CD2-CZ 3.69Å; Y291-F439 HydrophobicContact CD2-CZ 3.69Å; Y291-F439 HydrophobicContact CE2-CZ 4.18Å; Y291-F439 HydrophobicContact CG-CE2 4.34Å; Y291-F439 AromaticContact CG-CZ 3.65Å; Y291-F439 HydrophobicContact CG-CZ 3.65Å; L348-F439 HydrophobicContact CD2-CB 4.32Å; L348-F439 HydrophobicContact CD2-CD1 4.05Å; L348-F439 HydrophobicContact CD2-CG 4.48Å; L351-F439 HydrophobicContact CB-CD2 4.13Å; L351-F439 HydrophobicContact CB-CE2 4.2Å; T352-F439 WeakPolarHBondContact OG1-CB 3.48Å; V355-F439 HydrophobicContact CG2-CE2 4.11Å; Y437-F439 PolarHBondContact O-N 2.85Å; Y437-F439 VanDerWaalsContact O-N 3.07Å; F439-F442 PolarHBondContact O-N 3.29Å; F439-L443 PolarHBondContact O-N 2.89Å |
| 440 | L | 94.1 | Very high | 92.6 | Very high | 67 Ų | 67 | 54.6 Ų | 54.6 | 35% | 0.351 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | -176.3 | -72.2 | 179.1 | 0 | 0 | 0 | 114 | T352 Y437 F442 L443 V444 | T352-L440 HydrophobicContact CG2-CD1 4.26Å; T352-L440 HydrophobicContact CG2-CD2 3.91Å; T352-L440 HydrophobicContact CG2-CG 3.78Å; Y437-L440 HydrophobicContact CD1-CD1 3.82Å; Y437-L440 WeakPolarHBondContact O-CB 3.36Å; Y437-L440 PolarHBondContact O-N 3.02Å; L440-F442 VanDerWaalsContact C-N 3.25Å; L440-F442 PolarHBondContact O-N 3.15Å; L440-L443 HydrophobicContact CD2-CD2 4.23Å; L440-L443 WeakPolarHBondContact O-CB 3.23Å; L440-L443 PolarHBondContact O-N 3Å; L440-L443 VanDerWaalsContact O-N 3.15Å; L440-V444 WeakPolarHBondContact O-CG2 3.2Å; L440-V444 PolarHBondContact O-N 3.3Å |
| 441 | P | 94.3 | Very high | 93 | Very high | 55 Ų | 55 | 56.4 Ų | 56.4 | 36% | 0.357 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.3 | -39.7 | 176.1 | -26.2 | 35.7 | 0 | 0 | 0 | 112.7 | S438 V444 V445 | S438-P441 WeakPolarHBondContact O-CD 3.32Å; P441-V444 PolarHBondContact O-N 2.91Å; P441-V445 WeakPolarHBondContact O-CG2 3.47Å; P441-V445 PolarHBondContact O-N 3.29Å |
| 442 | F | 94.9 | Very high | 93.4 | Very high | 10 Ų | 10 | 55.6 Ų | 55.6 | 4% | 0.044 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.4 | -42.6 | 176.2 | -58 | -63.3 | 0 | 0 | 0 | 111.5 | L282 A287 L348 V423 Y427 S438 F439 L440 V444 V445 V446 | L282-F442 HydrophobicContact CB-CD1 4.49Å; L282-F442 WeakPolarHBondContact O-CB 3.49Å; L282-F442 WeakPolarHBondContact O-CD1 3.24Å; A287-F442 HydrophobicContact CB-CD2 4.28Å; A287-F442 HydrophobicContact CB-CE2 3.67Å; A287-F442 HydrophobicContact CB-CZ 4.2Å; L348-F442 HydrophobicContact CD1-CB 4.4Å; V423-F442 HydrophobicContact CG1-CE1 4.31Å; V423-F442 HydrophobicContact CG1-CZ 4.24Å; V423-F442 HydrophobicContact CG2-CE1 4.05Å; Y427-F442 AromaticContact CD2-CE2 3.84Å; Y427-F442 HydrophobicContact CD2-CE2 3.84Å; Y427-F442 AromaticContact CD2-CZ 3.91Å; Y427-F442 HydrophobicContact CD2-CZ 3.91Å; Y427-F442 HydrophobicContact CE2-CE2 4.04Å; S438-F442 VanDerWaalsContact O-CD2 3.32Å; S438-F442 WeakPolarHBondContact O-CD2 3.23Å; S438-F442 WeakPolarHBondContact O-CE2 3.3Å; F439-F442 PolarHBondContact O-N 3.29Å; L440-F442 VanDerWaalsContact C-N 3.25Å; L440-F442 PolarHBondContact O-N 3.15Å; F442-V444 VanDerWaalsContact C-N 3.31Å; F442-V444 PolarHBondContact O-N 2.77Å; F442-V445 PolarHBondContact O-N 3.36Å; F442-V446 VanDerWaalsContact O-CG2 3.25Å; F442-V446 WeakPolarHBondContact O-CG2 3.4Å; F442-V446 PolarHBondContact O-N 3.31Å |
| 443 | L | 96.5 | Very high | 93.9 | Very high | 22 Ų | 22 | 46.9 Ų | 46.9 | 12% | 0.115 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.2 | -43.3 | 175.7 | 178.2 | 60.9 | 0 | 0 | 0 | 112.2 | A345 L348 L349 F439 L440 V445 V446 V447 | A345-L443 HydrophobicContact CB-CD1 3.82Å; A345-L443 WeakPolarHBondContact O-CD1 3.47Å; L348-L443 HydrophobicContact CB-CB 4.4Å; L348-L443 HydrophobicContact CB-CD1 4.39Å; L348-L443 HydrophobicContact CD1-CB 4.43Å; L349-L443 HydrophobicContact CB-CD2 3.98Å; L349-L443 HydrophobicContact CD1-CD2 4.03Å; F439-L443 PolarHBondContact O-N 2.89Å; L440-L443 HydrophobicContact CD2-CD2 4.23Å; L440-L443 WeakPolarHBondContact O-CB 3.23Å; L440-L443 PolarHBondContact O-N 3Å; L440-L443 VanDerWaalsContact O-N 3.15Å; L443-V445 PolarHBondContact O-N 3.49Å; L443-V446 PolarHBondContact O-N 3.45Å; L443-V447 HydrophobicContact CD1-CG2 4.18Å; L443-V447 WeakPolarHBondContact O-CG2 3.47Å; L443-V447 PolarHBondContact O-N 3.33Å |
| 444 | V | 96.9 | Very high | 94.1 | Very high | 84 Ų | 84 | 45 Ų | 45 | 51% | 0.509 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.2 | -46.9 | 177.3 | 172.5 | 0 | 0 | 0 | 0 | 111 | L440 P441 F442 V446 V447 I448 | L440-V444 WeakPolarHBondContact O-CG2 3.2Å; L440-V444 PolarHBondContact O-N 3.3Å; P441-V444 PolarHBondContact O-N 2.91Å; F442-V444 VanDerWaalsContact C-N 3.31Å; F442-V444 PolarHBondContact O-N 2.77Å; V444-V446 VanDerWaalsContact C-N 3.34Å; V444-V446 PolarHBondContact O-N 3.3Å; V444-V447 PolarHBondContact O-N 3.49Å; V444-I448 HydrophobicContact CG1-CD1 3.8Å; V444-I448 WeakPolarHBondContact O-CG1 3.35Å; V444-I448 PolarHBondContact O-N 3.36Å |
| 445 | V | 96.4 | Very high | 94.2 | Very high | 36 Ų | 36 | 44.1 Ų | 44.1 | 22% | 0.218 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.9 | -44.8 | 177.1 | 175 | 0 | 0 | 0 | 0 | 110.9 | V278 L282 P441 F442 L443 V447 I448 C449 | V278-V445 HydrophobicContact CG1-CG1 4.48Å; L282-V445 HydrophobicContact CB-CB 4.43Å; L282-V445 HydrophobicContact CB-CG1 3.85Å; L282-V445 HydrophobicContact CD2-CG1 4.44Å; L282-V445 HydrophobicContact CD2-CG2 4.28Å; P441-V445 WeakPolarHBondContact O-CG2 3.47Å; P441-V445 PolarHBondContact O-N 3.29Å; F442-V445 PolarHBondContact O-N 3.36Å; L443-V445 PolarHBondContact O-N 3.49Å; V445-V447 PolarHBondContact O-N 2.98Å; V445-I448 PolarHBondContact O-N 3.18Å; V445-C449 WeakPolarHBondContact O-CB 3.44Å; V445-C449 PolarHBondContact O-N 2.92Å; V445-C449 PolarHBondContact O-SG 3.19Å |
| 446 | V | 97.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.5 | -47.4 | 178.6 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | L279 T341 L344 A345 L348 F442 L443 V444 W450 | L279-V446 HydrophobicContact CD1-CB 4.34Å; L279-V446 HydrophobicContact CD1-CG1 4.43Å; L279-V446 HydrophobicContact CD1-CG2 4.02Å; T341-V446 HydrophobicContact CG2-CG1 3.65Å; L344-V446 HydrophobicContact CD1-CG1 4.13Å; L344-V446 HydrophobicContact CD1-CG2 3.93Å; A345-V446 HydrophobicContact CB-CG1 3.84Å; L348-V446 HydrophobicContact CD1-CG2 4.27Å; F442-V446 VanDerWaalsContact O-CG2 3.25Å; F442-V446 WeakPolarHBondContact O-CG2 3.4Å; F442-V446 PolarHBondContact O-N 3.31Å; L443-V446 PolarHBondContact O-N 3.45Å; V444-V446 VanDerWaalsContact C-N 3.34Å; V444-V446 PolarHBondContact O-N 3.3Å; V446-W450 WeakPolarHBondContact O-CB 3.49Å; V446-W450 PolarHBondContact O-N 2.98Å |
| 447 | V | 98 | Very high | 95.1 | Very high | 66 Ų | 66 | 45.2 Ų | 45.2 | 40% | 0.4 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.8 | -45.6 | -179.9 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | L443 V444 V445 W450 I451 | L443-V447 HydrophobicContact CD1-CG2 4.18Å; L443-V447 WeakPolarHBondContact O-CG2 3.47Å; L443-V447 PolarHBondContact O-N 3.33Å; V444-V447 PolarHBondContact O-N 3.49Å; V445-V447 PolarHBondContact O-N 2.98Å; V447-W450 PolarHBondContact O-N 2.85Å; V447-I451 HydrophobicContact CG1-CD1 4.04Å; V447-I451 WeakPolarHBondContact O-CG1 3.24Å; V447-I451 PolarHBondContact O-N 2.88Å |
| 448 | I | 97.8 | Very high | 95.1 | Very high | 110 Ų | 110 | 39.6 Ų | 39.6 | 56% | 0.564 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -61.3 | -49.5 | 179 | -68.4 | 169 | 0 | 0 | 0 | 110.8 | V444 V445 W450 I451 F452 | V444-I448 HydrophobicContact CG1-CD1 3.8Å; V444-I448 WeakPolarHBondContact O-CG1 3.35Å; V444-I448 PolarHBondContact O-N 3.36Å; V445-I448 PolarHBondContact O-N 3.18Å; I448-W450 VanDerWaalsContact C-N 3.34Å; I448-W450 PolarHBondContact O-N 3Å; I448-I451 PolarHBondContact O-N 3.41Å; I448-F452 PolarHBondContact O-N 3.16Å; I448-F452 VanDerWaalsContact O-N 3.12Å |
| 449 | C | 97.3 | Very high | 95.2 | Very high | 7 Ų | 7 | 42 Ų | 42 | 5% | 0.047 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.3 | -38.7 | 178.3 | -74.7 | 0 | 0 | 0 | 0 | 111.9 | L279 V445 F452 F453 | L279-C449 HydrophobicContact CB-CB 4.03Å; L279-C449 HydrophobicContact CD1-CB 3.87Å; L279-C449 HydrophobicContact CD2-CB 4.08Å; L279-C449 HydrophobicContact CG-CB 4.2Å; V445-C449 WeakPolarHBondContact O-CB 3.44Å; V445-C449 PolarHBondContact O-N 2.92Å; V445-C449 PolarHBondContact O-SG 3.19Å; C449-F452 WeakPolarHBondContact O-CB 3.28Å; C449-F452 PolarHBondContact O-N 3.2Å; C449-F453 HydrophobicContact CB-CD2 4.35Å; C449-F453 HydrophobicContact CB-CE2 4.12Å; C449-F453 WeakPolarHBondContact O-CD2 3.43Å; C449-F453 PolarHBondContact O-N 3.33Å |
| 450 | W | 97.4 | Very high | 95.1 | Very high | 65 Ų | 65 | 42.1 Ų | 42.1 | 25% | 0.246 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.3 | -45.7 | 177 | -177 | 90.3 | 0 | 0 | 0 | 111.7 | L338 T341 V342 V446 V447 I448 F452 F453 F454 | L338-W450 PolarHBondContact O-NE1 3.48Å; T341-W450 HydrophobicContact CG2-CB 4.21Å; T341-W450 HydrophobicContact CG2-CG 4.38Å; V342-W450 HydrophobicContact CG2-CZ2 3.94Å; V446-W450 WeakPolarHBondContact O-CB 3.49Å; V446-W450 PolarHBondContact O-N 2.98Å; V447-W450 PolarHBondContact O-N 2.85Å; I448-W450 VanDerWaalsContact C-N 3.34Å; I448-W450 PolarHBondContact O-N 3Å; W450-F452 VanDerWaalsContact C-N 3.31Å; W450-F452 PolarHBondContact O-N 2.97Å; W450-F453 PolarHBondContact O-N 3.41Å; W450-F454 HydrophobicContact CE3-CB 4.45Å; W450-F454 HydrophobicContact CH2-CB 4.43Å; W450-F454 HydrophobicContact CH2-CD2 4Å; W450-F454 HydrophobicContact CH2-CG 4.18Å; W450-F454 HydrophobicContact CZ2-CD2 4.11Å; W450-F454 HydrophobicContact CZ3-CB 4.34Å; W450-F454 HydrophobicContact CZ3-CG 4.4Å; W450-F454 VanDerWaalsContact O-CB 3.25Å; W450-F454 WeakPolarHBondContact O-CB 3.3Å; W450-F454 PolarHBondContact O-N 3.42Å |
| 451 | I | 97.1 | Very high | 94.8 | Very high | 84 Ų | 84 | 41.4 Ų | 41.4 | 43% | 0.431 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.5 | -45.9 | 175.8 | -67.4 | 166.4 | 0 | 0 | 0 | 110.1 | V447 I448 F454 L455 | V447-I451 HydrophobicContact CG1-CD1 4.04Å; V447-I451 WeakPolarHBondContact O-CG1 3.24Å; V447-I451 PolarHBondContact O-N 2.88Å; I448-I451 PolarHBondContact O-N 3.41Å; I451-F454 PolarHBondContact O-N 3.48Å; I451-L455 HydrophobicContact CG2-CD1 4.02Å; I451-L455 VanDerWaalsContact O-CG 3.3Å; I451-L455 WeakPolarHBondContact O-CG 3.47Å; I451-L455 PolarHBondContact O-N 3.15Å; I451-L455 VanDerWaalsContact O-N 3.13Å |
| 452 | F | 96.3 | Very high | 94.3 | Very high | 34 Ų | 34 | 44.3 Ų | 44.3 | 15% | 0.149 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.7 | -52.1 | 177.3 | 175.2 | -92.1 | 0 | 0 | 0 | 112 | M268 L271 I272 L275 I448 C449 W450 F454 L455 F456 | M268-F452 HydrophobicContact SD-CE2 4.5Å; M268-F452 HydrophobicContact SD-CZ 3.95Å; L271-F452 HydrophobicContact CD2-CE2 3.8Å; L271-F452 HydrophobicContact CD2-CZ 3.76Å; L271-F452 HydrophobicContact CG-CE2 4.41Å; L271-F452 HydrophobicContact CG-CZ 3.96Å; I272-F452 HydrophobicContact CG1-CE1 3.92Å; I272-F452 HydrophobicContact CG1-CZ 4.18Å; L275-F452 HydrophobicContact CD1-CD1 3.7Å; L275-F452 HydrophobicContact CD1-CD2 4.22Å; L275-F452 HydrophobicContact CD1-CE1 3.61Å; L275-F452 HydrophobicContact CD1-CE2 4.14Å; L275-F452 HydrophobicContact CD1-CG 4.02Å; L275-F452 HydrophobicContact CD1-CZ 3.84Å; I448-F452 PolarHBondContact O-N 3.16Å; I448-F452 VanDerWaalsContact O-N 3.12Å; C449-F452 WeakPolarHBondContact O-CB 3.28Å; C449-F452 PolarHBondContact O-N 3.2Å; W450-F452 VanDerWaalsContact C-N 3.31Å; W450-F452 PolarHBondContact O-N 2.97Å; F452-F454 VanDerWaalsContact C-N 3.32Å; F452-F454 PolarHBondContact O-N 3.14Å; F452-L455 PolarHBondContact O-N 2.89Å; F452-F456 AromaticContact CD2-CD2 3.58Å; F452-F456 HydrophobicContact CD2-CD2 3.58Å; F452-F456 HydrophobicContact CD2-CE2 4.08Å; F452-F456 HydrophobicContact CE2-CB 4.44Å; F452-F456 AromaticContact CE2-CD2 3.65Å; F452-F456 HydrophobicContact CE2-CD2 3.65Å; F452-F456 HydrophobicContact CE2-CE2 4.24Å; F452-F456 HydrophobicContact CE2-CG 4.27Å; F452-F456 HydrophobicContact CG-CD2 4.23Å; F452-F456 HydrophobicContact CZ-CB 4.31Å; F452-F456 HydrophobicContact CZ-CD2 4.35Å; F452-F456 WeakPolarHBondContact O-CB 3.22Å; F452-F456 WeakPolarHBondContact O-CD2 3.44Å; F452-F456 PolarHBondContact O-N 3.27Å |
| 453 | F | 96 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.9 | -33.9 | -179.4 | -70 | -57.7 | 0 | 0 | 0 | 112.6 | I272 L275 I276 L279 L337 L338 C449 W450 L455 M457 | I272-F453 HydrophobicContact CG2-CE1 4.15Å; L275-F453 HydrophobicContact CB-CZ 3.84Å; I276-F453 HydrophobicContact CB-CE1 4.22Å; I276-F453 HydrophobicContact CB-CE2 4.45Å; I276-F453 HydrophobicContact CB-CZ 3.7Å; I276-F453 HydrophobicContact CG1-CZ 4.16Å; L279-F453 HydrophobicContact CB-CE2 4.26Å; L279-F453 HydrophobicContact CD2-CD2 3.75Å; L279-F453 HydrophobicContact CD2-CE2 3.59Å; L337-F453 HydrophobicContact CD2-CB 3.9Å; L337-F453 HydrophobicContact CD2-CD1 3.86Å; L337-F453 HydrophobicContact CD2-CD2 4.21Å; L337-F453 HydrophobicContact CD2-CE1 4.49Å; L337-F453 HydrophobicContact CD2-CG 3.72Å; L338-F453 HydrophobicContact CD2-CB 3.95Å; C449-F453 HydrophobicContact CB-CD2 4.35Å; C449-F453 HydrophobicContact CB-CE2 4.12Å; C449-F453 WeakPolarHBondContact O-CD2 3.43Å; C449-F453 PolarHBondContact O-N 3.33Å; W450-F453 PolarHBondContact O-N 3.41Å; F453-L455 VanDerWaalsContact C-N 3.28Å; F453-L455 PolarHBondContact O-N 3.23Å; F453-M457 HydrophobicContact CB-CB 4.26Å; F453-M457 HydrophobicContact CD1-CB 4.15Å; F453-M457 WeakPolarHBondContact O-CB 3.44Å; F453-M457 PolarHBondContact O-N 2.95Å |
| 454 | F | 95 | Very high | 93.1 | Very high | 79 Ų | 79 | 47.5 Ų | 47.5 | 35% | 0.346 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.4 | -44.3 | 174.9 | 178.7 | -98.8 | 0 | 0 | 0 | 110.9 | R334 L338 W450 I451 F452 V479 | R334-F454 PolarHBondContact NH2-O 2.99Å; L338-F454 HydrophobicContact CD1-CD2 4.13Å; L338-F454 HydrophobicContact CD2-CB 4.11Å; W450-F454 HydrophobicContact CE3-CB 4.45Å; W450-F454 HydrophobicContact CH2-CB 4.43Å; W450-F454 HydrophobicContact CH2-CD2 4Å; W450-F454 HydrophobicContact CH2-CG 4.18Å; W450-F454 HydrophobicContact CZ2-CD2 4.11Å; W450-F454 HydrophobicContact CZ3-CB 4.34Å; W450-F454 HydrophobicContact CZ3-CG 4.4Å; W450-F454 VanDerWaalsContact O-CB 3.25Å; W450-F454 WeakPolarHBondContact O-CB 3.3Å; W450-F454 PolarHBondContact O-N 3.42Å; I451-F454 PolarHBondContact O-N 3.48Å; F452-F454 VanDerWaalsContact C-N 3.32Å; F452-F454 PolarHBondContact O-N 3.14Å; F454-V479 HydrophobicContact CD1-CG2 3.99Å; F454-V479 HydrophobicContact CE1-CG1 4.37Å; F454-V479 HydrophobicContact CE1-CG2 3.71Å; F454-V479 HydrophobicContact CZ-CG2 4.12Å; F454-V479 VanDerWaalsContact O-CG2 3.23Å; F454-V479 WeakPolarHBondContact O-CG2 3.22Å |
| 455 | L | 93.3 | Very high | 92.4 | Very high | 55 Ų | 55 | 44.4 Ų | 44.4 | 29% | 0.288 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -77.5 | -39.7 | -177.9 | -66.1 | 174.8 | 0 | 0 | 0 | 113.7 | I451 F452 F453 I477 V478 V479 | I451-L455 HydrophobicContact CG2-CD1 4.02Å; I451-L455 VanDerWaalsContact O-CG 3.3Å; I451-L455 WeakPolarHBondContact O-CG 3.47Å; I451-L455 PolarHBondContact O-N 3.15Å; I451-L455 VanDerWaalsContact O-N 3.13Å; F452-L455 PolarHBondContact O-N 2.89Å; F453-L455 VanDerWaalsContact C-N 3.28Å; F453-L455 PolarHBondContact O-N 3.23Å; L455-I477 HydrophobicContact CD2-CG2 4.39Å; L455-V478 PolarHBondContact O-N 2.91Å; L455-V479 HydrophobicContact CD2-CG2 4.38Å |
| 456 | F | 92.4 | Very high | 91.6 | Very high | 48 Ų | 48 | 45 Ų | 45 | 21% | 0.211 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -116.8 | -14.2 | -163.7 | -65.1 | -69.3 | 0 | 0 | 0 | 115.8 | M268 F452 P458 I477 V478 | M268-F456 HydrophobicContact CE-CB 3.58Å; M268-F456 HydrophobicContact CE-CD1 3.22Å; M268-F456 HydrophobicContact CE-CD2 4.35Å; M268-F456 HydrophobicContact CE-CE1 3.93Å; M268-F456 HydrophobicContact CE-CG 3.46Å; M268-F456 VanDerWaalsContact CE-CG 3.46Å; M268-F456 HydrophobicContact SD-CB 4.39Å; F452-F456 AromaticContact CD2-CD2 3.58Å; F452-F456 HydrophobicContact CD2-CD2 3.58Å; F452-F456 HydrophobicContact CD2-CE2 4.08Å; F452-F456 HydrophobicContact CE2-CB 4.44Å; F452-F456 AromaticContact CE2-CD2 3.65Å; F452-F456 HydrophobicContact CE2-CD2 3.65Å; F452-F456 HydrophobicContact CE2-CE2 4.24Å; F452-F456 HydrophobicContact CE2-CG 4.27Å; F452-F456 HydrophobicContact CG-CD2 4.23Å; F452-F456 HydrophobicContact CZ-CB 4.31Å; F452-F456 HydrophobicContact CZ-CD2 4.35Å; F452-F456 WeakPolarHBondContact O-CB 3.22Å; F452-F456 WeakPolarHBondContact O-CD2 3.44Å; F452-F456 PolarHBondContact O-N 3.27Å; F456-P458 VanDerWaalsContact O-CD 3.23Å; F456-P458 WeakPolarHBondContact O-CD 3.45Å; F456-I477 HydrophobicContact CE1-CG1 3.87Å; F456-I477 HydrophobicContact CZ-CG1 4.31Å; F456-V478 WeakPolarHBondContact O-CG2 3.31Å |
| 457 | M | 92.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -83.6 | 116 | -178.7 | -172.6 | 63 | -156.5 | 0 | 0 | 111.3 | I272 R334 L337 I395 I399 F453 T460 | I272-M457 HydrophobicContact CD1-SD 4.26Å; I272-M457 HydrophobicContact CG2-SD 3.74Å; R334-M457 WeakPolarHBondContact CD-O 3.32Å; R334-M457 PolarHBondContact NE-O 3.28Å; L337-M457 HydrophobicContact CD2-CG 4.1Å; I395-M457 HydrophobicContact CB-CE 4.32Å; I395-M457 HydrophobicContact CD1-CE 3.69Å; I395-M457 HydrophobicContact CD1-SD 4.36Å; I395-M457 HydrophobicContact CG1-CE 3.81Å; I395-M457 HydrophobicContact CG2-CE 3.61Å; I395-M457 HydrophobicContact CG2-SD 4.19Å; I399-M457 HydrophobicContact CG2-CE 4.23Å; F453-M457 HydrophobicContact CB-CB 4.26Å; F453-M457 HydrophobicContact CD1-CB 4.15Å; F453-M457 WeakPolarHBondContact O-CB 3.44Å; F453-M457 PolarHBondContact O-N 2.95Å; M457-T460 HydrophobicContact CE-CG2 3.8Å |
| 458 | P | 91.1 | Very high | 90.3 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 5% | 0.045 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -77.7 | 168.7 | 170.5 | 33.9 | -35.5 | 0 | 0 | 0 | 111.4 | F456 L472 V478 | F456-P458 VanDerWaalsContact O-CD 3.23Å; F456-P458 WeakPolarHBondContact O-CD 3.45Å; P458-L472 HydrophobicContact CG-CD2 3.73Å; P458-L472 HydrophobicContact CG-CG 4.05Å; P458-V478 HydrophobicContact CB-CG2 4.36Å |
| 459 | E | 92 | Very high | 89.7 | Confident | 51 Ų | 51 | 40.8 Ų | 40.8 | 24% | 0.238 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -79.2 | 139.8 | 167.7 | -176.6 | 53.4 | -111 | 0 | 0 | 110.4 | G332 R333 R334 K461 R463 | G332-E459 WeakPolarHBondContact CA-OE2 3.42Å; R333-E459 VanDerWaalsContact N-CD 3.32Å; R333-E459 PolarHBondContact N-OE1 3.37Å; R333-E459 PolarHBondContact N-OE2 3.08Å; R334-E459 WeakPolarHBondContact CB-OE2 3.28Å; R334-E459 PolarHBondContact N-OE2 3.23Å; E459-K461 HydrophobicContact CG-CB 4.08Å; E459-K461 VanDerWaalsContact OE1-CB 3.23Å; E459-K461 WeakPolarHBondContact OE1-CB 3.44Å; E459-K461 PolarHBondContact OE1-N 2.98Å; E459-R463 WeakPolarHBondContact O-CD 3.48Å; E459-R463 PolarHBondContact O-NH1 3.1Å |
| 460 | T | 89.7 | Confident | 89 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | trans | -111.5 | -15.7 | -177.9 | 59.7 | 0 | 0 | 0 | 0 | 113.2 | E398 I399 M457 N462 R463 V468 | E398-T460 HydrophobicContact CB-CG2 4.5Å; E398-T460 VanDerWaalsContact OE2-CB 3.26Å; E398-T460 WeakPolarHBondContact OE2-CB 3.29Å; E398-T460 PolarHBondContact OE2-OG1 3.01Å; I399-T460 HydrophobicContact CG2-CG2 3.95Å; M457-T460 HydrophobicContact CE-CG2 3.8Å; T460-N462 PolarHBondContact O-N 2.94Å; T460-R463 PolarHBondContact O-N 3.11Å; T460-V468 HydrophobicContact CG2-CG1 3.91Å; T460-V468 HydrophobicContact CG2-CG2 4.26Å | ||
| 461 | K | 87.8 | Confident | 88.4 | Confident | 52 Ų | 52 | 48.5 Ų | 48.5 | 23% | 0.226 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 132.6 | 179.5 | 178 | -172.7 | 174.9 | -173.9 | 0 | 112.6 | E329 R330 E459 R463 | E329-K461 WeakPolarHBondContact O-CE 3.45Å; E329-K461 PolarHBondContact O-NZ 2.82Å; R330-K461 PolarHBondContact O-NZ 3.07Å; E459-K461 HydrophobicContact CG-CB 4.08Å; E459-K461 VanDerWaalsContact OE1-CB 3.23Å; E459-K461 WeakPolarHBondContact OE1-CB 3.44Å; E459-K461 PolarHBondContact OE1-N 2.98Å; K461-R463 WeakPolarHBondContact O-CG 3.37Å; K461-R463 PolarHBondContact O-N 3.19Å; K461-R463 VanDerWaalsContact O-N 3.16Å |
| 462 | N | 83.9 | Confident | 87.9 | Confident | 116 Ų | 116 | 44.7 Ų | 44.7 | 62% | 0.62 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 21.7 | 176.4 | -64 | -17.5 | 0 | 0 | 0 | 114.9 | T460 | T460-N462 PolarHBondContact O-N 2.94Š|
| 463 | R | 83.5 | Confident | 87.1 | Confident | 58 Ų | 58 | 44.3 Ų | 44.3 | 22% | 0.219 | 22% | 0.215 | C | C | . | . | trans | -106.8 | 154.5 | 177.8 | -63.6 | -175 | 71.3 | -177.5 | 5.4 | 111.5 | E459 T460 K461 E467 V468 D471 | E459-R463 WeakPolarHBondContact O-CD 3.48Å; E459-R463 PolarHBondContact O-NH1 3.1Å; T460-R463 PolarHBondContact O-N 3.11Å; K461-R463 WeakPolarHBondContact O-CG 3.37Å; K461-R463 PolarHBondContact O-N 3.19Å; K461-R463 VanDerWaalsContact O-N 3.16Å; R463-E467 HydrophobicContact CB-CB 4.48Å; R463-E467 WeakPolarHBondContact CB-OE2 3.49Å; R463-E467 IonicContact NE-OE2 3.65Å; R463-E467 PolarHBondContact NE-OE2 2.67Å; R463-E467 PolarHBondContact NH2-O 2.96Å; R463-V468 HydrophobicContact CB-CG2 3.81Å; R463-D471 IonicContact CZ-OD2 2.58Å; R463-D471 IonicContact NH1-OD2 3.32Å; R463-D471 PolarHBondContact NH1-OD2 3.27Å; R463-D471 VanDerWaalsContact NH2-CG 3.33Å; R463-D471 IonicContact NH2-OD1 2.97Å; R463-D471 IonicContact NH2-OD2 3.15Å; R463-D471 PolarHBondContact NH2-OD2 3Å | ||
| 464 | T | 83 | Confident | 85.9 | Confident | 41 Ų | 41 | 50.3 Ų | 50.3 | 25% | 0.252 | 24% | 0.241 | S | C | . | . | trans | -74.6 | 154.4 | 171.2 | 63 | 0 | 0 | 0 | 0 | 110.4 | D466 E467 V468 | T464-D466 PolarHBondContact O-N 3.33Å; T464-E467 WeakPolarHBondContact CG2-OE1 3.41Å; T464-E467 PolarHBondContact N-OE2 3.36Å; T464-E467 PolarHBondContact O-N 3.01Å; T464-E467 WeakPolarHBondContact OG1-CB 3.4Å; T464-E467 WeakPolarHBondContact OG1-CG 3.49Å; T464-E467 PolarHBondContact OG1-N 3.15Å; T464-E467 PolarHBondContact OG1-OE1 3.28Å; T464-V468 PolarHBondContact O-N 3.4Å | ||
| 465 | F | 81.8 | Confident | 84.4 | Confident | 19 Ų | 19 | 48 Ų | 48 | 8% | 0.083 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.1 | -33.2 | 176.6 | -62 | -82.5 | 0 | 0 | 0 | 111.7 | R210 S397 E398 A469 | R210-F465 VanDerWaalsContact NH1-CZ 3.34Å; S397-F465 WeakPolarHBondContact O-CE1 3.28Å; E398-F465 WeakPolarHBondContact O-CD1 3.47Å; F465-A469 VanDerWaalsContact O-CB 3.31Å; F465-A469 WeakPolarHBondContact O-CB 3.32Å; F465-A469 PolarHBondContact O-N 3.43Å |
| 466 | D | 79.9 | Confident | 83.4 | Confident | 48 Ų | 48 | 49 Ų | 49 | 26% | 0.257 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -72.5 | -38.3 | 179.9 | -69.8 | -23.8 | 0 | 0 | 0 | 112.6 | R401 T464 R470 | R401-D466 IonicContact CZ-OD1 2.98Å; R401-D466 IonicContact NE-OD1 3.51Å; R401-D466 PolarHBondContact NE-OD1 3.31Å; R401-D466 IonicContact NH2-OD1 3.71Å; R401-D466 PolarHBondContact NH2-OD1 3.3Å; R401-D466 IonicContact NH2-OD2 2.86Å; T464-D466 PolarHBondContact O-N 3.33Å; D466-R470 WeakPolarHBondContact O-CB 3.49Å; D466-R470 PolarHBondContact O-N 2.77Å |
| 467 | E | 83 | Confident | 82.3 | Confident | 69 Ų | 69 | 51.1 Ų | 51.1 | 32% | 0.322 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 173.1 | -80.3 | 162.2 | -136.6 | 0 | 0 | 112.3 | R463 T464 R470 D471 | R463-E467 HydrophobicContact CB-CB 4.48Å; R463-E467 WeakPolarHBondContact CB-OE2 3.49Å; R463-E467 IonicContact NE-OE2 3.65Å; R463-E467 PolarHBondContact NE-OE2 2.67Å; R463-E467 PolarHBondContact NH2-O 2.96Å; T464-E467 WeakPolarHBondContact CG2-OE1 3.41Å; T464-E467 PolarHBondContact N-OE2 3.36Å; T464-E467 PolarHBondContact O-N 3.01Å; T464-E467 WeakPolarHBondContact OG1-CB 3.4Å; T464-E467 WeakPolarHBondContact OG1-CG 3.49Å; T464-E467 PolarHBondContact OG1-N 3.15Å; T464-E467 PolarHBondContact OG1-OE1 3.28Å; E467-R470 WeakPolarHBondContact O-CB 3.26Å; E467-R470 PolarHBondContact O-N 3Å; E467-D471 PolarHBondContact O-N 3.42Å; E467-D471 VanDerWaalsContact O-N 3.16Å |
| 468 | V | 86.1 | Confident | 81.4 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66 | -42.8 | -179.7 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | I399 T460 R463 T464 R470 D471 L472 | I399-V468 HydrophobicContact CB-CG1 4.15Å; I399-V468 HydrophobicContact CG2-CG1 3.87Å; T460-V468 HydrophobicContact CG2-CG1 3.91Å; T460-V468 HydrophobicContact CG2-CG2 4.26Å; R463-V468 HydrophobicContact CB-CG2 3.81Å; T464-V468 PolarHBondContact O-N 3.4Å; V468-R470 VanDerWaalsContact C-N 3.3Å; V468-R470 PolarHBondContact O-N 3.21Å; V468-D471 PolarHBondContact O-N 2.95Å; V468-L472 HydrophobicContact CG1-CD1 4.01Å; V468-L472 WeakPolarHBondContact O-CG 3.44Å; V468-L472 PolarHBondContact O-N 2.98Å |
| 469 | A | 83.4 | Confident | 79.7 | Confident | 18 Ų | 18 | 55.5 Ų | 55.5 | 15% | 0.149 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.3 | -39 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | R401 F465 L472 A473 | R401-A469 HydrophobicContact CG-CB 3.72Å; F465-A469 VanDerWaalsContact O-CB 3.31Å; F465-A469 WeakPolarHBondContact O-CB 3.32Å; F465-A469 PolarHBondContact O-N 3.43Å; A469-L472 PolarHBondContact O-N 3.45Å; A469-A473 PolarHBondContact O-N 3.05Å |
| 470 | R | 82.8 | Confident | 77.4 | Confident | 167 Ų | 167 | 56.7 Ų | 56.7 | 63% | 0.63 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.9 | -42.7 | 177.5 | -170 | -174.5 | -58.8 | 165.7 | 2.7 | 112.3 | D466 E467 V468 L472 A473 | D466-R470 WeakPolarHBondContact O-CB 3.49Å; D466-R470 PolarHBondContact O-N 2.77Å; E467-R470 WeakPolarHBondContact O-CB 3.26Å; E467-R470 PolarHBondContact O-N 3Å; V468-R470 VanDerWaalsContact C-N 3.3Å; V468-R470 PolarHBondContact O-N 3.21Å; R470-L472 VanDerWaalsContact C-N 3.32Å; R470-L472 PolarHBondContact O-N 3.3Å; R470-A473 PolarHBondContact O-N 3.26Å |
| 471 | D | 84.6 | Confident | 75.4 | Confident | 68 Ų | 68 | 63 Ų | 63 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.9 | -36.6 | 178.3 | -80.9 | -0.5 | 0 | 0 | 0 | 112.4 | R463 E467 V468 | R463-D471 IonicContact CZ-OD2 2.58Å; R463-D471 IonicContact NH1-OD2 3.32Å; R463-D471 PolarHBondContact NH1-OD2 3.27Å; R463-D471 VanDerWaalsContact NH2-CG 3.33Å; R463-D471 IonicContact NH2-OD1 2.97Å; R463-D471 IonicContact NH2-OD2 3.15Å; R463-D471 PolarHBondContact NH2-OD2 3Å; E467-D471 PolarHBondContact O-N 3.42Å; E467-D471 VanDerWaalsContact O-N 3.16Å; V468-D471 PolarHBondContact O-N 2.95Å |
| 472 | L | 87.4 | Confident | 72.7 | Confident | 4 Ų | 4 | 70.5 Ų | 70.5 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -82 | -18.5 | -178.3 | -69 | 175.6 | 0 | 0 | 0 | 113.7 | M268 P269 I272 I399 P458 V468 A469 R470 F474 G475 | M268-L472 WeakPolarHBondContact CB-O 3.39Å; M268-L472 HydrophobicContact CG-CD2 4.07Å; P269-L472 HydrophobicContact CB-CD1 4.36Å; P269-L472 HydrophobicContact CG-CB 3.72Å; P269-L472 HydrophobicContact CG-CD1 4.04Å; I272-L472 HydrophobicContact CD1-CD1 4.38Å; I272-L472 HydrophobicContact CD1-CD2 3.51Å; I399-L472 HydrophobicContact CB-CD1 3.86Å; I399-L472 HydrophobicContact CG2-CD1 3.95Å; P458-L472 HydrophobicContact CG-CD2 3.73Å; P458-L472 HydrophobicContact CG-CG 4.05Å; V468-L472 HydrophobicContact CG1-CD1 4.01Å; V468-L472 WeakPolarHBondContact O-CG 3.44Å; V468-L472 PolarHBondContact O-N 2.98Å; A469-L472 PolarHBondContact O-N 3.45Å; R470-L472 VanDerWaalsContact C-N 3.32Å; R470-L472 PolarHBondContact O-N 3.3Å; L472-F474 PolarHBondContact O-N 3.29Å; L472-G475 PolarHBondContact O-N 3.32Å |
| 473 | A | 78.7 | Confident | 70.5 | Confident | 26 Ų | 26 | 71.3 Ų | 71.3 | 22% | 0.215 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -27.4 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | D265 A469 R470 | D265-A473 HydrophobicContact CB-CB 4.11Å; A469-A473 PolarHBondContact O-N 3.05Å; R470-A473 PolarHBondContact O-N 3.26Å |
| 474 | F | 72.3 | Confident | 68.1 | Low | 126 Ų | 126 | 74.3 Ų | 74.3 | 55% | 0.553 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | 4.3 | -176.7 | -61.9 | -73.7 | 0 | 0 | 0 | 114.5 | L472 N476 V493 | L472-F474 PolarHBondContact O-N 3.29Å; F474-N476 PolarHBondContact O-N 2.76Å; F474-N476 VanDerWaalsContact O-N 3.15Å; F474-V493 HydrophobicContact CE2-CG2 4.28Å; F474-V493 HydrophobicContact CZ-CG2 4.21Å |
| 475 | G | 63.4 | Low | 65.6 | Low | 29 Ų | 29 | 75.9 Ų | 75.9 | 30% | 0.299 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 33.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L472 | L472-G475 PolarHBondContact O-N 3.32Š|
| 476 | N | 70.9 | Confident | 63.5 | Low | 76 Ų | 76 | 82.3 Ų | 82.3 | 41% | 0.406 | 45% | 0.45 | S | S | . | . | trans | -72.6 | 144.6 | -176.8 | -69.9 | -43.8 | 0 | 0 | 0 | 111.4 | F474 V478 | F474-N476 PolarHBondContact O-N 2.76Å; F474-N476 VanDerWaalsContact O-N 3.15Å; N476-V478 PolarHBondContact O-N 3.25Å | ||
| 477 | I | 70.3 | Confident | 61.4 | Low | 93 Ų | 93 | 89.2 Ų | 89.2 | 48% | 0.477 | 48% | 0.481 | S | S | . | . | trans | -60.9 | 126.7 | 168.1 | -61.4 | 173.3 | 0 | 0 | 0 | 108.4 | L455 F456 V479 | L455-I477 HydrophobicContact CD2-CG2 4.39Å; F456-I477 HydrophobicContact CE1-CG1 3.87Å; F456-I477 HydrophobicContact CZ-CG1 4.31Å; I477-V479 HydrophobicContact CG2-CB 4.13Å | ||
| 478 | V | 73.1 | Confident | 59.2 | Low | 34 Ų | 34 | 93.1 Ų | 93.1 | 21% | 0.206 | 50% | 0.504 | C | S | . | . | trans | -82.1 | -30.5 | -178 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | L455 F456 P458 N476 G480 | L455-V478 PolarHBondContact O-N 2.91Å; F456-V478 WeakPolarHBondContact O-CG2 3.31Å; P458-V478 HydrophobicContact CB-CG2 4.36Å; N476-V478 PolarHBondContact O-N 3.25Å; V478-G480 PolarHBondContact O-N 2.92Å | ||
| 479 | V | 56.4 | Low | 56.6 | Low | 66 Ų | 66 | 102.9 Ų | 102.9 | 40% | 0.4 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 124.2 | 178.8 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | F454 L455 I477 | F454-V479 HydrophobicContact CD1-CG2 3.99Å; F454-V479 HydrophobicContact CE1-CG1 4.37Å; F454-V479 HydrophobicContact CE1-CG2 3.71Å; F454-V479 HydrophobicContact CZ-CG2 4.12Å; F454-V479 VanDerWaalsContact O-CG2 3.23Å; F454-V479 WeakPolarHBondContact O-CG2 3.22Å; L455-V479 HydrophobicContact CD2-CG2 4.38Å; I477-V479 HydrophobicContact CG2-CB 4.13Å |
| 480 | G | 43.1 | Very low | 54.1 | Low | 76 Ų | 76 | 110 Ų | 110 | 78% | 0.784 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105 | -11.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | V478 R482 | V478-G480 PolarHBondContact O-N 2.92Å; G480-R482 PolarHBondContact O-N 3.25Å; G480-R482 VanDerWaalsContact O-N 3.13Å |
| 481 | K | 47.8 | Very low | 51.5 | Low | 135 Ų | 135 | 107.8 Ų | 107.8 | 59% | 0.587 | 58% | 0.576 | S | S | * | * | trans | -78 | 96.1 | 168.4 | -71.8 | -173.6 | 179.6 | -179.7 | 0 | 109.5 | ||||
| 482 | R | 32 | Very low | 48.9 | Very low | 209 Ų | 209 | 110.1 Ų | 110.1 | 79% | 0.789 | 59% | 0.593 | S | S | * | * | trans | -53.4 | 141.8 | 156.7 | -81.1 | -178.6 | 175.5 | 177.2 | -1.3 | 107.6 | G480 T484 | G480-R482 PolarHBondContact O-N 3.25Å; G480-R482 VanDerWaalsContact O-N 3.13Å; R482-T484 WeakPolarHBondContact CB-OG1 3.32Å; R482-T484 PolarHBondContact O-N 3.07Å | ||
| 483 | T | 36.9 | Very low | 46.4 | Very low | 133 Ų | 133 | 113.7 Ų | 113.7 | 82% | 0.816 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -63.4 | 31.7 | 175.5 | -23 | 0 | 0 | 0 | 0 | 113.4 | ||
| 484 | T | 32.5 | Very low | 44.2 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 75% | 0.748 | 64% | 0.643 | S | S | * | * | trans | -110.3 | 20.5 | -178.9 | 46 | 0 | 0 | 0 | 0 | 112.6 | R482 | R482-T484 WeakPolarHBondContact CB-OG1 3.32Å; R482-T484 PolarHBondContact O-N 3.07Å | ||
| 485 | A | 32.1 | Very low | 42.1 | Very low | 74 Ų | 74 | 121.2 Ų | 121.2 | 61% | 0.612 | 65% | 0.653 | S | S | * | * | trans | -123.1 | 21.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 486 | L | 36.8 | Very low | 40.4 | Very low | 154 Ų | 154 | 129.3 Ų | 129.3 | 81% | 0.806 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -84.7 | -6.2 | 170.9 | -82.2 | 168.6 | 0 | 0 | 0 | 113.7 | ||
| 487 | E | 36.9 | Very low | 38.2 | Very low | 193 Ų | 193 | 134.8 Ų | 134.8 | 90% | 0.902 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -97.3 | -17.1 | 178.3 | -76.7 | -177.6 | 158.9 | 0 | 0 | 115.1 | ||
| 488 | D | 36.5 | Very low | 36.3 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 80% | 0.802 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -126.3 | 21 | -160.8 | -126.4 | 5.7 | 0 | 0 | 0 | 117.7 | ||
| 489 | R | 31 | Very low | 34.2 | Very low | 207 Ų | 207 | 139.3 Ų | 139.3 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | trans | -137 | 82 | 170.4 | -69.6 | -169 | -177.8 | -169.5 | 0.9 | 112.4 | L491 | R489-L491 HydrophobicContact CB-CD1 4.09Å; R489-L491 HydrophobicContact CB-CG 4.04Å; R489-L491 HydrophobicContact CG-CD1 4.35Å; R489-L491 PolarHBondContact O-N 2.96Å | ||
| 490 | N | 29.7 | Very low | 32.8 | Very low | 169 Ų | 169 | 143.6 Ų | 143.6 | 90% | 0.904 | 76% | 0.763 | S | S | * | * | trans | -59.9 | 60.2 | 147.5 | -82.8 | -26.6 | 0 | 0 | 0 | 110.5 | T492 | N490-T492 VanDerWaalsContact C-N 3.33Å; N490-T492 PolarHBondContact O-N 2.92Å; N490-T492 VanDerWaalsContact O-N 3.12Å | ||
| 491 | L | 29.7 | Very low | 32.2 | Very low | 119 Ų | 119 | 149.4 Ų | 149.4 | 62% | 0.623 | 77% | 0.769 | S | S | * | * | trans | -80.5 | 89.4 | 167.3 | -78 | 170.5 | 0 | 0 | 0 | 107.2 | R489 V493 | R489-L491 HydrophobicContact CB-CD1 4.09Å; R489-L491 HydrophobicContact CB-CG 4.04Å; R489-L491 HydrophobicContact CG-CD1 4.35Å; R489-L491 PolarHBondContact O-N 2.96Å; L491-V493 PolarHBondContact O-N 3.03Å | ||
| 492 | T | 29.5 | Very low | 31.2 | Very low | 118 Ų | 118 | 146.6 Ų | 146.6 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | trans | -59.7 | 101.2 | 162.9 | 39.4 | 0 | 0 | 0 | 0 | 108.4 | N490 F494 | N490-T492 VanDerWaalsContact C-N 3.33Å; N490-T492 PolarHBondContact O-N 2.92Å; N490-T492 VanDerWaalsContact O-N 3.12Å; T492-F494 PolarHBondContact O-N 3.23Å; T492-F494 VanDerWaalsContact O-N 3.17Å | ||
| 493 | V | 34.2 | Very low | 31.2 | Very low | 78 Ų | 78 | 142.9 Ų | 142.9 | 47% | 0.473 | 78% | 0.782 | S | S | . | * | trans | -75.2 | 104.8 | 175.9 | 172.4 | 0 | 0 | 0 | 0 | 107.8 | F474 L491 | F474-V493 HydrophobicContact CE2-CG2 4.28Å; F474-V493 HydrophobicContact CZ-CG2 4.21Å; L491-V493 PolarHBondContact O-N 3.03Å | ||
| 494 | F | 32.9 | Very low | 30.7 | Very low | 186 Ų | 186 | 141.4 Ų | 141.4 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | trans | 65.1 | 80.9 | 173.7 | -53.4 | -70.9 | 0 | 0 | 0 | 117.3 | T492 | T492-F494 PolarHBondContact O-N 3.23Å; T492-F494 VanDerWaalsContact O-N 3.17Å | ||
| 495 | T | 29.1 | Very low | 30.6 | Very low | 125 Ų | 125 | 141 Ų | 141 | 77% | 0.767 | 79% | 0.786 | S | S | * | * | trans | -85.6 | 124.9 | 136.3 | 42.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 496 | K | 27.3 | Very low | 30.3 | Very low | 199 Ų | 199 | 146.1 Ų | 146.1 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -50.5 | 138.5 | 173.6 | -152.9 | 176.4 | -176.6 | -176.4 | 0 | 108.8 | G498 | K496-G498 VanDerWaalsContact C-N 3.32Å; K496-G498 PolarHBondContact O-N 3.06Å | ||
| 497 | Q | 25.1 | Very low | 29.8 | Very low | 190 Ų | 190 | 143.5 Ų | 143.5 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -56.7 | 100.5 | 164.9 | -79.9 | 179.2 | -19.8 | 0 | 0 | 107.3 | N499 | Q497-N499 PolarHBondContact O-N 2.95Š| ||
| 498 | G | 29.7 | Very low | 29.6 | Very low | 62 Ų | 62 | 142.5 Ų | 142.5 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | trans | -69.7 | 108.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | K496 N500 | K496-G498 VanDerWaalsContact C-N 3.32Å; K496-G498 PolarHBondContact O-N 3.06Å; G498-N500 PolarHBondContact O-N 3.33Å; G498-N500 VanDerWaalsContact O-N 3.1Å | ||
| 499 | N | 28.8 | Very low | 29.1 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -54.8 | 115.8 | 157.1 | -89.3 | -4.2 | 0 | 0 | 0 | 106.9 | Q497 E501 | Q497-N499 PolarHBondContact O-N 2.95Å; N499-E501 PolarHBondContact O-N 3.13Å | ||
| 500 | N | 28.1 | Very low | 29 | Very low | 156 Ų | 156 | 143.6 Ų | 143.6 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | -51 | 118.2 | 164.7 | -75 | -31 | 0 | 0 | 0 | 108.9 | G498 | G498-N500 PolarHBondContact O-N 3.33Å; G498-N500 VanDerWaalsContact O-N 3.1Å | ||
| 501 | E | 30 | Very low | 28.9 | Very low | 198 Ų | 198 | 140.1 Ų | 140.1 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | trans | -167 | 73.1 | 153 | -106.7 | 165.7 | -143.5 | 0 | 0 | 110.3 | N499 | N499-E501 PolarHBondContact O-N 3.13Š| ||
| 502 | G | 25.7 | Very low | 28.8 | Very low | 76 Ų | 76 | 145.9 Ų | 145.9 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | 64.7 | 173.5 | 143.4 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 503 | P | 32 | Very low | 28.9 | Very low | 132 Ų | 132 | 145.7 Ų | 145.7 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | cis | -115.3 | 167.5 | -12.9 | 37.2 | -22.8 | 0 | 0 | 0 | 113.5 | ||||
| 504 | A | 26.9 | Very low | 28.6 | Very low | 101 Ų | 101 | 149.7 Ų | 149.7 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | -52.5 | 129.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 505 | S | 30.2 | Very low | 28.4 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -123.6 | 96.1 | 148.7 | 55.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 506 | E | 25.8 | Very low | 28.7 | Very low | 181 Ų | 181 | 150 Ų | 150 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | trans | -20.9 | 139.1 | 135.9 | -65.8 | 172.3 | 153.2 | 0 | 0 | 110.7 | ||||
| 507 | S | 27.3 | Very low | 28.8 | Very low | 98 Ų | 98 | 150.9 Ų | 150.9 | 69% | 0.685 | 83% | 0.828 | S | S | * | * | cis | 176.8 | 125.1 | 30.5 | 41.7 | 0 | 0 | 0 | 0 | 105 | ||||
| 508 | L | 31.6 | Very low | 29.1 | Very low | 172 Ų | 172 | 145 Ų | 145 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | trans | -146.7 | 63.8 | 150.8 | -81.1 | -178.6 | 0 | 0 | 0 | 108 | ||||
| 509 | L | 26.4 | Very low | 28.9 | Very low | 158 Ų | 158 | 149.7 Ų | 149.7 | 83% | 0.827 | 83% | 0.826 | S | S | * | * | trans | -72.5 | 113.8 | 153.3 | -81.2 | 160.8 | 0 | 0 | 0 | 107.4 | ||||
| 510 | Y | 29.1 | Very low | 29 | Very low | 222 Ų | 222 | 151.7 Ų | 151.7 | 87% | 0.871 | 82% | 0.823 | S | S | * | * | trans | -123.5 | 115.5 | 147.6 | -101.4 | -81.3 | 0 | 0 | 0 | 108.2 | ||||
| 511 | P | 28.4 | Very low | 29.3 | Very low | 97 Ų | 97 | 152.5 Ų | 152.5 | 63% | 0.63 | 85% | 0.851 | S | S | * | * | trans | -97.7 | 158.8 | -179.7 | 36.9 | -31.1 | 0 | 0 | 0 | 112.6 | ||||
| 512 | R | 26.1 | Very low | 29.2 | Very low | 240 Ų | 240 | 150.3 Ų | 150.3 | 91% | 0.906 | 85% | 0.847 | S | S | * | * | trans | 65.7 | 124 | 150.9 | -78.1 | 178.3 | 170.6 | 173 | -2.7 | 119 | ||||
| 513 | S | 31.8 | Very low | 29.4 | Very low | 114 Ų | 114 | 154.2 Ų | 154.2 | 80% | 0.797 | 85% | 0.851 | S | S | * | * | -168.7 | 115.4 | 84.1 | 43.6 | 0 | 0 | 0 | 0 | 111.3 | N515 | S513-N515 PolarHBondContact O-N 3.2Š| |||
| 514 | D | 27.5 | Very low | 29.3 | Very low | 162 Ų | 162 | 155.4 Ų | 155.4 | 87% | 0.866 | 85% | 0.85 | S | S | * | * | trans | -71.9 | 110.9 | 152.6 | -80.1 | -47.2 | 0 | 0 | 0 | 107.1 | ||||
| 515 | N | 29.7 | Very low | 29.4 | Very low | 148 Ų | 148 | 158.6 Ų | 158.6 | 79% | 0.791 | 85% | 0.851 | S | S | * | * | trans | 178.7 | 99.5 | 149 | -95.5 | -14.9 | 0 | 0 | 0 | 108.3 | S513 | S513-N515 PolarHBondContact O-N 3.2Š| ||
| 516 | D | 36.2 | Very low | 29.4 | Very low | 170 Ų | 170 | 161.3 Ų | 161.3 | 91% | 0.909 | 85% | 0.854 | S | S | * | * | trans | -158.4 | 83.3 | 137.3 | -99.6 | -22.4 | 0 | 0 | 0 | 109.5 | ||||
| 517 | K | 28.5 | Very low | 29.6 | Very low | 216 Ų | 216 | 160 Ų | 160 | 94% | 0.939 | 86% | 0.855 | S | S | * | * | trans | -90.3 | 109.4 | 149.4 | -79.8 | -175.1 | 175.7 | 179.9 | 0 | 107 | ||||
| 518 | G | 30.6 | Very low | 29.8 | Very low | 66 Ų | 66 | 164.4 Ų | 164.4 | 68% | 0.68 | 87% | 0.867 | S | S | * | * | trans | -176 | 96.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 519 | M | 26.5 | Very low | 29.6 | Very low | 162 Ų | 162 | 163.8 Ų | 163.8 | 80% | 0.798 | 86% | 0.864 | S | S | * | * | 80.1 | 108.5 | 94.2 | -99 | -175.8 | 47.9 | 0 | 0 | 114.5 | |||||
| 520 | Y | 30.1 | Very low | 29.9 | Very low | 202 Ų | 202 | 164.3 Ų | 164.3 | 79% | 0.792 | 87% | 0.867 | S | S | * | * | trans | 66.1 | 109.4 | 149.3 | -60.7 | -74.3 | 0 | 0 | 0 | 120.6 | ||||
| 521 | A | 34.2 | Very low | 30 | Very low | 173 Ų | 173 | 159.1 Ų | 159.1 | 100% | 1.43 | 87% | 0.867 | S | S | * | * | -139.4 | 0 | 106.9 | 0 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 521 of 521 residues in 107.3 ms
(Link to these results)