| 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 | 37.5 | Very low | 79.1 | Confident | 230 Ų | 230 | 89.9 Ų | 89.9 | 100% | 1.133 | 51% | 0.513 | S | S | * | . | 0 | 118.7 | 0 | -113.3 | 177.5 | -85.5 | 0 | 0 | 107.1 | L3 | M1-L3 PolarHBondContact O-N 2.97Š| |||
| 2 | A | 42.8 | Very low | 80.6 | Confident | 106 Ų | 106 | 86.8 Ų | 86.8 | 88% | 0.876 | 51% | 0.507 | S | S | * | . | trans | -66.4 | 104 | 177 | 0 | 0 | 0 | 0 | 0 | 108.5 | I4 | A2-I4 PolarHBondContact O-N 3.41Š| ||
| 3 | L | 67.7 | Low | 81.8 | Confident | 160 Ų | 160 | 80.6 Ų | 80.6 | 84% | 0.838 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 122 | 171.7 | -106.9 | 86.4 | 0 | 0 | 0 | 107.5 | M1 | M1-L3 PolarHBondContact O-N 2.97Š|
| 4 | I | 73.9 | Confident | 83 | Confident | 114 Ų | 114 | 76.1 Ų | 76.1 | 59% | 0.585 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 129.8 | 169.8 | -62.6 | 171.4 | 0 | 0 | 0 | 107.4 | A2 S6 V8 | A2-I4 PolarHBondContact O-N 3.41Å; I4-S6 PolarHBondContact O-N 3.08Å; I4-V8 HydrophobicContact CG2-CB 4Å; I4-V8 HydrophobicContact CG2-CG1 4.07Å |
| 5 | P | 86.8 | Confident | 84 | Confident | 70 Ų | 70 | 78.1 Ų | 78.1 | 46% | 0.455 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 135.5 | 177.1 | -23.4 | 32.8 | 0 | 0 | 0 | 110.7 | Q7 V8 L9 | P5-Q7 PolarHBondContact O-N 3.14Å; P5-Q7 VanDerWaalsContact O-N 3.07Å; P5-V8 HydrophobicContact CB-CG2 4.18Å; P5-V8 HydrophobicContact CG-CG2 4.25Å; P5-V8 WeakPolarHBondContact O-CB 3.4Å; P5-V8 PolarHBondContact O-N 3.02Å; P5-L9 PolarHBondContact O-N 3.02Å |
| 6 | S | 88.5 | Confident | 84.8 | Confident | 40 Ų | 40 | 75.4 Ų | 75.4 | 28% | 0.28 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -54.1 | -32.3 | -179.3 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | I4 L9 R10 | I4-S6 PolarHBondContact O-N 3.08Å; S6-L9 WeakPolarHBondContact O-CB 3.36Å; S6-L9 PolarHBondContact O-N 3.49Å; S6-R10 WeakPolarHBondContact O-CG 3.15Å; S6-R10 PolarHBondContact O-N 3Å |
| 7 | Q | 92.2 | Very high | 85.6 | Confident | 71 Ų | 71 | 70.9 Ų | 70.9 | 33% | 0.332 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 175.5 | -60.8 | 155.4 | -42.5 | 0 | 0 | 112.1 | P5 L9 R10 V11 D61 | P5-Q7 PolarHBondContact O-N 3.14Å; P5-Q7 VanDerWaalsContact O-N 3.07Å; Q7-L9 VanDerWaalsContact C-N 3.31Å; Q7-L9 PolarHBondContact O-N 2.74Å; Q7-R10 PolarHBondContact O-N 3.19Å; Q7-V11 WeakPolarHBondContact O-CG2 3.45Å; Q7-V11 PolarHBondContact O-N 2.8Å; Q7-V11 VanDerWaalsContact O-N 3.15Å; Q7-D61 HydrophobicContact CG-CB 4.1Å |
| 8 | V | 92.9 | Very high | 86.2 | Confident | 83 Ų | 83 | 72.8 Ų | 72.8 | 50% | 0.503 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | 178.5 | 177.2 | 0 | 0 | 0 | 0 | 110.1 | I4 P5 V11 A12 | I4-V8 HydrophobicContact CG2-CB 4Å; I4-V8 HydrophobicContact CG2-CG1 4.07Å; P5-V8 HydrophobicContact CB-CG2 4.18Å; P5-V8 HydrophobicContact CG-CG2 4.25Å; P5-V8 WeakPolarHBondContact O-CB 3.4Å; P5-V8 PolarHBondContact O-N 3.02Å; V8-V11 PolarHBondContact O-N 3.21Å; V8-A12 WeakPolarHBondContact O-CB 3.39Å; V8-A12 PolarHBondContact O-N 3.34Å |
| 9 | L | 94.2 | Very high | 86.8 | Confident | 46 Ų | 46 | 71.7 Ų | 71.7 | 24% | 0.241 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 178.5 | -175 | 55.6 | 0 | 0 | 0 | 112.1 | P5 S6 Q7 V11 A12 I13 I143 T147 | P5-L9 PolarHBondContact O-N 3.02Å; S6-L9 WeakPolarHBondContact O-CB 3.36Å; S6-L9 PolarHBondContact O-N 3.49Å; Q7-L9 VanDerWaalsContact C-N 3.31Å; Q7-L9 PolarHBondContact O-N 2.74Å; L9-V11 PolarHBondContact O-N 2.99Å; L9-A12 PolarHBondContact O-N 2.99Å; L9-I13 HydrophobicContact CD1-CD1 4.1Å; L9-I13 HydrophobicContact CD1-CG1 4.41Å; L9-I13 HydrophobicContact CG-CD1 3.98Å; L9-I13 WeakPolarHBondContact O-CB 3.45Å; L9-I13 VanDerWaalsContact O-CG1 3.26Å; L9-I13 WeakPolarHBondContact O-CG1 3.42Å; L9-I13 PolarHBondContact O-N 2.98Å; L9-I143 HydrophobicContact CD1-CG2 4.34Å; L9-I143 HydrophobicContact CD2-CG2 3.17Å; L9-I143 HydrophobicContact CG-CG2 3.87Å; L9-T147 HydrophobicContact CD2-CG2 4.31Å |
| 10 | R | 96.1 | Very high | 87.3 | Confident | 6 Ų | 6 | 68.7 Ų | 68.7 | 2% | 0.023 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 175.9 | -73.8 | 162.6 | 172.4 | 159.6 | -3.1 | 112.8 | S6 Q7 I13 L14 F54 C57 V58 D61 E144 T148 | S6-R10 WeakPolarHBondContact O-CG 3.15Å; S6-R10 PolarHBondContact O-N 3Å; Q7-R10 PolarHBondContact O-N 3.19Å; R10-I13 PolarHBondContact O-N 3.34Å; R10-L14 VanDerWaalsContact O-CB 3.31Å; R10-L14 WeakPolarHBondContact O-CB 3.4Å; R10-L14 PolarHBondContact O-N 3.38Å; R10-F54 HydrophobicContact CB-CD1 4.47Å; R10-F54 HydrophobicContact CG-CD1 4.31Å; R10-C57 HydrophobicContact CG-CB 4.27Å; R10-V58 HydrophobicContact CB-CG2 3.96Å; R10-D61 WeakPolarHBondContact CD-OD2 3.42Å; R10-D61 IonicContact CZ-OD1 2.9Å; R10-D61 IonicContact CZ-OD2 2.8Å; R10-D61 IonicContact NE-OD2 2.84Å; R10-D61 IonicContact NH1-OD1 3.43Å; R10-D61 PolarHBondContact NH1-OD1 3.02Å; R10-D61 IonicContact NH1-OD2 3.62Å; R10-D61 PolarHBondContact NH1-OD2 2.94Å; R10-E144 WeakPolarHBondContact CG-OE2 3.43Å; R10-E144 IonicContact CZ-OE1 3.99Å; R10-E144 IonicContact CZ-OE2 3.71Å; R10-E144 IonicContact NE-OE1 3.74Å; R10-E144 PolarHBondContact NE-OE1 3.5Å; R10-E144 IonicContact NE-OE2 3.87Å; R10-E144 PolarHBondContact NE-OE2 3.47Å; R10-E144 IonicContact NH2-OE1 2.86Å; R10-E144 PolarHBondContact NH2-OE1 3.42Å; R10-E144 IonicContact NH2-OE2 3.82Å; R10-T148 PolarHBondContact NH2-OG1 3.44Å |
| 11 | V | 97.1 | Very high | 87.7 | Confident | 63 Ų | 63 | 66.5 Ų | 66.5 | 38% | 0.382 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63 | -46.1 | 175.5 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | Q7 V8 L9 I13 L14 L15 V58 | Q7-V11 WeakPolarHBondContact O-CG2 3.45Å; Q7-V11 PolarHBondContact O-N 2.8Å; Q7-V11 VanDerWaalsContact O-N 3.15Å; V8-V11 PolarHBondContact O-N 3.21Å; L9-V11 PolarHBondContact O-N 2.99Å; V11-I13 PolarHBondContact O-N 2.85Å; V11-L14 PolarHBondContact O-N 3.35Å; V11-L15 HydrophobicContact CG1-CD1 4.06Å; V11-L15 HydrophobicContact CG1-CG 4.4Å; V11-L15 VanDerWaalsContact O-CG 3.31Å; V11-L15 WeakPolarHBondContact O-CG 3.34Å; V11-L15 PolarHBondContact O-N 3.39Å; V11-V58 HydrophobicContact CG2-CG1 4.03Å; V11-V58 HydrophobicContact CG2-CG2 3.8Å |
| 12 | A | 97.1 | Very high | 90.5 | Very high | 53 Ų | 53 | 59.7 Ų | 59.7 | 44% | 0.438 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V8 L9 L15 S16 | V8-A12 WeakPolarHBondContact O-CB 3.39Å; V8-A12 PolarHBondContact O-N 3.34Å; L9-A12 PolarHBondContact O-N 2.99Å; A12-L15 PolarHBondContact O-N 3.1Å; A12-S16 PolarHBondContact O-N 3.08Å |
| 13 | I | 97.2 | Very high | 93 | Very high | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 175.9 | -68.9 | 166.7 | 0 | 0 | 0 | 110.6 | L9 R10 V11 L15 S16 Y17 F54 F140 I143 | L9-I13 HydrophobicContact CD1-CD1 4.1Å; L9-I13 HydrophobicContact CD1-CG1 4.41Å; L9-I13 HydrophobicContact CG-CD1 3.98Å; L9-I13 WeakPolarHBondContact O-CB 3.45Å; L9-I13 VanDerWaalsContact O-CG1 3.26Å; L9-I13 WeakPolarHBondContact O-CG1 3.42Å; L9-I13 PolarHBondContact O-N 2.98Å; R10-I13 PolarHBondContact O-N 3.34Å; V11-I13 PolarHBondContact O-N 2.85Å; I13-L15 PolarHBondContact O-N 3.05Å; I13-S16 WeakPolarHBondContact O-CB 3.37Å; I13-S16 PolarHBondContact O-N 3.22Å; I13-S16 VanDerWaalsContact O-N 3.1Å; I13-S16 PolarHBondContact O-OG 3.45Å; I13-Y17 HydrophobicContact CG2-CD2 3.76Å; I13-Y17 HydrophobicContact CG2-CE2 3.45Å; I13-Y17 VanDerWaalsContact CG2-CE2 3.45Å; I13-Y17 WeakPolarHBondContact O-CD2 3.17Å; I13-Y17 PolarHBondContact O-N 3.2Å; I13-F54 HydrophobicContact CB-CD1 4.14Å; I13-F54 HydrophobicContact CB-CE1 4.15Å; I13-F54 HydrophobicContact CB-CG 4.49Å; I13-F54 HydrophobicContact CD1-CE1 3.84Å; I13-F54 HydrophobicContact CD1-CZ 4.14Å; I13-F54 HydrophobicContact CG2-CD1 3.75Å; I13-F54 HydrophobicContact CG2-CD2 3.67Å; I13-F54 HydrophobicContact CG2-CE1 3.71Å; I13-F54 HydrophobicContact CG2-CE2 3.64Å; I13-F54 HydrophobicContact CG2-CG 3.74Å; I13-F54 HydrophobicContact CG2-CZ 3.66Å; I13-F140 HydrophobicContact CD1-CB 4.22Å; I13-F140 HydrophobicContact CD1-CD1 4.32Å; I13-F140 HydrophobicContact CD1-CG 4.31Å; I13-F140 HydrophobicContact CG1-CB 4.45Å; I13-F140 HydrophobicContact CG1-CD1 4.08Å; I13-F140 HydrophobicContact CG1-CD2 4.43Å; I13-F140 HydrophobicContact CG1-CE1 4.43Å; I13-F140 HydrophobicContact CG1-CG 4.08Å; I13-F140 HydrophobicContact CG2-CB 3.99Å; I13-F140 HydrophobicContact CG2-CD2 3.73Å; I13-F140 HydrophobicContact CG2-CE2 4.38Å; I13-F140 HydrophobicContact CG2-CG 3.93Å; I13-I143 HydrophobicContact CD1-CG2 4.36Å |
| 14 | L | 98 | Very high | 94.2 | Very high | 18 Ų | 18 | 52 Ų | 52 | 9% | 0.094 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.9 | -46 | 177.7 | 179.4 | 59.1 | 0 | 0 | 0 | 111.9 | R10 V11 S16 Y17 F18 A51 F54 V58 | R10-L14 VanDerWaalsContact O-CB 3.31Å; R10-L14 WeakPolarHBondContact O-CB 3.4Å; R10-L14 PolarHBondContact O-N 3.38Å; V11-L14 PolarHBondContact O-N 3.35Å; L14-S16 VanDerWaalsContact C-N 3.27Å; L14-S16 PolarHBondContact O-N 2.88Å; L14-Y17 PolarHBondContact O-N 2.87Å; L14-F18 HydrophobicContact CD1-CD2 4.33Å; L14-F18 HydrophobicContact CD1-CE1 4.38Å; L14-F18 HydrophobicContact CD1-CE2 3.76Å; L14-F18 HydrophobicContact CD1-CZ 3.79Å; L14-F18 HydrophobicContact CD2-CE2 4.07Å; L14-F18 HydrophobicContact CG-CD2 4.11Å; L14-F18 HydrophobicContact CG-CE2 3.63Å; L14-F18 HydrophobicContact CG-CZ 4.17Å; L14-F18 PolarHBondContact O-N 3.26Å; L14-A51 VanDerWaalsContact CD1-O 3.24Å; L14-A51 WeakPolarHBondContact CD1-O 3.37Å; L14-F54 HydrophobicContact CB-CB 4.18Å; L14-F54 HydrophobicContact CD1-CB 4.22Å; L14-V58 HydrophobicContact CD2-CB 4.25Å; L14-V58 HydrophobicContact CD2-CG2 3.94Å |
| 15 | L | 97.8 | Very high | 95 | Very high | 106 Ų | 106 | 51.5 Ų | 51.5 | 56% | 0.555 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.4 | -36.1 | 175.8 | -69.2 | 175.7 | 0 | 0 | 0 | 111.8 | V11 A12 I13 F18 S19 | V11-L15 HydrophobicContact CG1-CD1 4.06Å; V11-L15 HydrophobicContact CG1-CG 4.4Å; V11-L15 VanDerWaalsContact O-CG 3.31Å; V11-L15 WeakPolarHBondContact O-CG 3.34Å; V11-L15 PolarHBondContact O-N 3.39Å; A12-L15 PolarHBondContact O-N 3.1Å; I13-L15 PolarHBondContact O-N 3.05Å; L15-F18 PolarHBondContact O-N 3.42Å; L15-S19 WeakPolarHBondContact O-CB 3.47Å; L15-S19 PolarHBondContact O-N 3.02Å |
| 16 | S | 97.1 | Very high | 95.2 | Very high | 34 Ų | 34 | 52 Ų | 52 | 24% | 0.238 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 174.7 | 82.6 | 0 | 0 | 0 | 0 | 112 | A12 I13 L14 S19 I20 F140 | A12-S16 PolarHBondContact O-N 3.08Å; I13-S16 WeakPolarHBondContact O-CB 3.37Å; I13-S16 PolarHBondContact O-N 3.22Å; I13-S16 VanDerWaalsContact O-N 3.1Å; I13-S16 PolarHBondContact O-OG 3.45Å; L14-S16 VanDerWaalsContact C-N 3.27Å; L14-S16 PolarHBondContact O-N 2.88Å; S16-S19 WeakPolarHBondContact O-CB 3.42Å; S16-S19 PolarHBondContact O-N 2.92Å; S16-I20 WeakPolarHBondContact O-CD1 3.27Å; S16-I20 WeakPolarHBondContact O-CG1 3.11Å; S16-I20 PolarHBondContact O-N 3.3Å; S16-F140 VanDerWaalsContact OG-CE2 3.24Å; S16-F140 WeakPolarHBondContact OG-CE2 3.25Å |
| 17 | Y | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 175.8 | -78.2 | -59.8 | 0 | 0 | 0 | 112.3 | I13 L14 S19 I20 L21 L47 Q50 F54 V137 F140 | I13-Y17 HydrophobicContact CG2-CD2 3.76Å; I13-Y17 HydrophobicContact CG2-CE2 3.45Å; I13-Y17 VanDerWaalsContact CG2-CE2 3.45Å; I13-Y17 WeakPolarHBondContact O-CD2 3.17Å; I13-Y17 PolarHBondContact O-N 3.2Å; L14-Y17 PolarHBondContact O-N 2.87Å; Y17-S19 VanDerWaalsContact C-N 3.33Å; Y17-S19 PolarHBondContact O-N 3.3Å; Y17-I20 PolarHBondContact O-N 3.05Å; Y17-L21 WeakPolarHBondContact O-CB 3.37Å; Y17-L21 WeakPolarHBondContact O-CG 3.48Å; Y17-L21 PolarHBondContact O-N 3.17Å; Y17-L47 HydrophobicContact CD1-CD2 3.91Å; Y17-L47 HydrophobicContact CE1-CD2 3.88Å; Y17-Q50 HydrophobicContact CD1-CB 4.12Å; Y17-Q50 HydrophobicContact CD2-CB 4.16Å; Y17-Q50 HydrophobicContact CE1-CB 3.63Å; Y17-Q50 HydrophobicContact CE1-CG 4.01Å; Y17-Q50 HydrophobicContact CE2-CB 3.65Å; Y17-Q50 HydrophobicContact CE2-CG 4.48Å; Y17-Q50 HydrophobicContact CG-CB 4.37Å; Y17-Q50 WeakPolarHBondContact OH-CG 3.47Å; Y17-F54 HydrophobicContact CD2-CD2 4.01Å; Y17-F54 AromaticContact CE2-CD2 3.52Å; Y17-F54 HydrophobicContact CE2-CD2 3.52Å; Y17-F54 AromaticContact CE2-CE2 3.72Å; Y17-F54 HydrophobicContact CE2-CE2 3.72Å; Y17-F54 HydrophobicContact CE2-CG 4.49Å; Y17-V137 HydrophobicContact CE1-CG2 4.34Å; Y17-V137 WeakPolarHBondContact OH-CA 3.44Å; Y17-F140 AromaticContact CE2-CD2 3.93Å; Y17-F140 HydrophobicContact CE2-CD2 3.93Å; Y17-F140 AromaticContact CZ-CD2 3.81Å |
| 18 | F | 97.6 | Very high | 94.8 | Very high | 104 Ų | 104 | 54.3 Ų | 54.3 | 46% | 0.456 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 172.5 | -71.5 | -38.7 | 0 | 0 | 0 | 111.7 | L14 L15 I20 L21 C22 | L14-F18 HydrophobicContact CD1-CD2 4.33Å; L14-F18 HydrophobicContact CD1-CE1 4.38Å; L14-F18 HydrophobicContact CD1-CE2 3.76Å; L14-F18 HydrophobicContact CD1-CZ 3.79Å; L14-F18 HydrophobicContact CD2-CE2 4.07Å; L14-F18 HydrophobicContact CG-CD2 4.11Å; L14-F18 HydrophobicContact CG-CE2 3.63Å; L14-F18 HydrophobicContact CG-CZ 4.17Å; L14-F18 PolarHBondContact O-N 3.26Å; L15-F18 PolarHBondContact O-N 3.42Å; F18-I20 PolarHBondContact O-N 3.01Å; F18-L21 PolarHBondContact O-N 2.74Å; F18-C22 VanDerWaalsContact O-CB 3.28Å; F18-C22 WeakPolarHBondContact O-CB 3.2Å; F18-C22 PolarHBondContact O-N 2.9Å; F18-C22 PolarHBondContact O-SG 3.12Å |
| 19 | S | 96.9 | Very high | 94.4 | Very high | 53 Ų | 53 | 50.7 Ų | 50.7 | 37% | 0.371 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 175.3 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | L15 S16 Y17 C22 H23 | L15-S19 WeakPolarHBondContact O-CB 3.47Å; L15-S19 PolarHBondContact O-N 3.02Å; S16-S19 WeakPolarHBondContact O-CB 3.42Å; S16-S19 PolarHBondContact O-N 2.92Å; Y17-S19 VanDerWaalsContact C-N 3.33Å; Y17-S19 PolarHBondContact O-N 3.3Å; S19-C22 PolarHBondContact O-N 3.02Å; S19-H23 WeakPolarHBondContact O-CB 3.37Å; S19-H23 PolarHBondContact O-N 3.39Å; S19-H23 PolarHBondContact O-ND1 3.26Å |
| 20 | I | 97.1 | Very high | 93.8 | Very high | 10 Ų | 10 | 52.4 Ų | 52.4 | 5% | 0.051 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 177.6 | -70.2 | 159.6 | 0 | 0 | 0 | 110.9 | S16 Y17 F18 H23 Y24 L47 W128 L129 M133 | S16-I20 WeakPolarHBondContact O-CD1 3.27Å; S16-I20 WeakPolarHBondContact O-CG1 3.11Å; S16-I20 PolarHBondContact O-N 3.3Å; Y17-I20 PolarHBondContact O-N 3.05Å; F18-I20 PolarHBondContact O-N 3.01Å; I20-H23 PolarHBondContact O-N 2.96Å; I20-Y24 VanDerWaalsContact O-CB 3.26Å; I20-Y24 WeakPolarHBondContact O-CB 3.47Å; I20-Y24 PolarHBondContact O-N 3.05Å; I20-L47 HydrophobicContact CG2-CD1 4.07Å; I20-L47 HydrophobicContact CG2-CD2 4.08Å; I20-W128 HydrophobicContact CG1-CZ3 4.44Å; I20-L129 HydrophobicContact CB-CD1 4.37Å; I20-L129 HydrophobicContact CG2-CD1 3.85Å; I20-M133 HydrophobicContact CG2-CG 3.87Å |
| 21 | L | 96.3 | Very high | 92.9 | Very high | 24 Ų | 24 | 53.4 Ų | 53.4 | 13% | 0.126 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.5 | -43.7 | -179.4 | -76.5 | 169.1 | 0 | 0 | 0 | 112.1 | Y17 F18 Y24 K25 F44 L47 V48 A51 | Y17-L21 WeakPolarHBondContact O-CB 3.37Å; Y17-L21 WeakPolarHBondContact O-CG 3.48Å; Y17-L21 PolarHBondContact O-N 3.17Å; F18-L21 PolarHBondContact O-N 2.74Å; L21-Y24 PolarHBondContact O-N 3.13Å; L21-K25 WeakPolarHBondContact O-CB 3.35Å; L21-K25 WeakPolarHBondContact O-CG 3.47Å; L21-K25 PolarHBondContact O-N 2.85Å; L21-F44 HydrophobicContact CD2-CD2 4.18Å; L21-F44 HydrophobicContact CD2-CE2 3.65Å; L21-F44 HydrophobicContact CD2-CZ 4.34Å; L21-L47 HydrophobicContact CD2-CB 3.85Å; L21-L47 HydrophobicContact CG-CB 4.43Å; L21-V48 HydrophobicContact CD2-CG2 4.16Å; L21-A51 HydrophobicContact CD1-CB 3.79Å |
| 22 | C | 95.6 | Very high | 92.2 | Very high | 86 Ų | 86 | 52.1 Ų | 52.1 | 58% | 0.581 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62.7 | -48.1 | 177.1 | -74.2 | 0 | 0 | 0 | 0 | 111.3 | F18 S19 K25 A26 | F18-C22 VanDerWaalsContact O-CB 3.28Å; F18-C22 WeakPolarHBondContact O-CB 3.2Å; F18-C22 PolarHBondContact O-N 2.9Å; F18-C22 PolarHBondContact O-SG 3.12Å; S19-C22 PolarHBondContact O-N 3.02Å; C22-K25 PolarHBondContact O-N 2.86Å; C22-A26 WeakPolarHBondContact O-CB 3.35Å; C22-A26 PolarHBondContact O-N 3.5Å |
| 23 | H | 94.9 | Very high | 91.4 | Very high | 92 Ų | 92 | 56.5 Ų | 56.5 | 43% | 0.426 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 177.7 | -77.7 | 87.3 | 0 | 0 | 0 | 111.7 | S19 I20 K25 A26 L27 W128 L129 | S19-H23 WeakPolarHBondContact O-CB 3.37Å; S19-H23 PolarHBondContact O-N 3.39Å; S19-H23 PolarHBondContact O-ND1 3.26Å; I20-H23 PolarHBondContact O-N 2.96Å; H23-K25 VanDerWaalsContact C-N 3.32Å; H23-K25 PolarHBondContact O-N 3.12Å; H23-A26 PolarHBondContact O-N 2.96Å; H23-A26 VanDerWaalsContact O-N 3.16Å; H23-L27 WeakPolarHBondContact O-CG 3.37Å; H23-L27 PolarHBondContact O-N 3.49Å; H23-W128 HydrophobicContact CB-CH2 3.67Å; H23-W128 HydrophobicContact CB-CZ2 4.01Å; H23-W128 AromaticContact CD2-CH2 3.9Å; H23-W128 AromaticContact CD2-CZ2 3.67Å; H23-W128 AromaticContact CG-CH2 3.52Å; H23-W128 AromaticContact CG-CZ2 3.76Å; H23-W128 AromaticContact ND1-CH2 3.79Å; H23-L129 HydrophobicContact CB-CD1 4.31Å |
| 24 | Y | 93.4 | Very high | 90.9 | Very high | 13 Ų | 13 | 59.2 Ų | 59.2 | 5% | 0.051 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.1 | -40 | 177.6 | 179.3 | -102.9 | 0 | 0 | 0 | 112.4 | I20 L21 A26 L27 M29 H32 F44 M133 | I20-Y24 VanDerWaalsContact O-CB 3.26Å; I20-Y24 WeakPolarHBondContact O-CB 3.47Å; I20-Y24 PolarHBondContact O-N 3.05Å; L21-Y24 PolarHBondContact O-N 3.13Å; Y24-A26 VanDerWaalsContact C-N 3.34Å; Y24-L27 HydrophobicContact CD2-CD1 4.42Å; Y24-L27 WeakPolarHBondContact O-CB 3.24Å; Y24-L27 PolarHBondContact O-N 2.87Å; Y24-M29 HydrophobicContact CD2-CE 4.33Å; Y24-M29 HydrophobicContact CE2-CE 3.66Å; Y24-H32 AromaticContact CE1-CE1 3.75Å; Y24-H32 AromaticContact CE1-NE2 3.44Å; Y24-H32 WeakPolarHBondContact CE1-NE2 3.28Å; Y24-H32 AromaticContact CE2-NE2 3.82Å; Y24-H32 AromaticContact CZ-CE1 3.74Å; Y24-H32 AromaticContact CZ-NE2 3.15Å; Y24-H32 PolarHBondContact O-CE1 3.26Å; Y24-H32 PolarHBondContact OH-NE2 3.43Å; Y24-F44 AromaticContact CD1-CD2 3.56Å; Y24-F44 HydrophobicContact CD1-CD2 3.56Å; Y24-F44 AromaticContact CD1-CE2 3.88Å; Y24-F44 HydrophobicContact CD1-CE2 3.88Å; Y24-F44 HydrophobicContact CE1-CB 4.34Å; Y24-F44 AromaticContact CE1-CD2 3.38Å; Y24-F44 HydrophobicContact CE1-CD2 3.38Å; Y24-F44 HydrophobicContact CE1-CE2 4.02Å; Y24-F44 HydrophobicContact CE1-CG 4.1Å; Y24-M133 HydrophobicContact CD2-CE 4.32Å; Y24-M133 HydrophobicContact CD2-SD 3.38Å; Y24-M133 WeakPolarHBondContact CD2-SD 3.42Å; Y24-M133 HydrophobicContact CE2-SD 3.8Å; Y24-M133 HydrophobicContact CG-SD 4.06Å |
| 25 | K | 90.2 | Very high | 90.4 | Very high | 103 Ų | 103 | 63.4 Ų | 63.4 | 45% | 0.448 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -72.5 | -25.2 | 176 | -77.2 | -68.5 | -173.5 | -178.7 | 0 | 113.9 | L21 C22 H23 L27 S38 F44 | L21-K25 WeakPolarHBondContact O-CB 3.35Å; L21-K25 WeakPolarHBondContact O-CG 3.47Å; L21-K25 PolarHBondContact O-N 2.85Å; C22-K25 PolarHBondContact O-N 2.86Å; H23-K25 VanDerWaalsContact C-N 3.32Å; H23-K25 PolarHBondContact O-N 3.12Å; K25-L27 VanDerWaalsContact C-N 3.27Å; K25-S38 PolarHBondContact NZ-OG 2.93Å; K25-F44 HydrophobicContact CD-CE2 4.44Å; K25-F44 HydrophobicContact CG-CE2 4.48Å |
| 26 | A | 90.9 | Very high | 90 | Very high | 82 Ų | 82 | 59.4 Ų | 59.4 | 68% | 0.678 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -77.2 | -13.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | C22 H23 Y24 D28 | C22-A26 WeakPolarHBondContact O-CB 3.35Å; C22-A26 PolarHBondContact O-N 3.5Å; H23-A26 PolarHBondContact O-N 2.96Å; H23-A26 VanDerWaalsContact O-N 3.16Å; Y24-A26 VanDerWaalsContact C-N 3.34Å; A26-D28 PolarHBondContact O-N 3.35Å |
| 27 | L | 89.4 | Confident | 89.7 | Confident | 38 Ų | 38 | 58.4 Ų | 58.4 | 20% | 0.199 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -70.3 | 124.4 | 174.8 | -61.3 | -177.7 | 0 | 0 | 0 | 110.7 | H23 Y24 K25 M29 F124 I125 L129 | H23-L27 WeakPolarHBondContact O-CG 3.37Å; H23-L27 PolarHBondContact O-N 3.49Å; Y24-L27 HydrophobicContact CD2-CD1 4.42Å; Y24-L27 WeakPolarHBondContact O-CB 3.24Å; Y24-L27 PolarHBondContact O-N 2.87Å; K25-L27 VanDerWaalsContact C-N 3.27Å; L27-M29 HydrophobicContact CB-CE 4.36Å; L27-M29 HydrophobicContact CB-CG 4.07Å; L27-M29 HydrophobicContact CD1-CE 4.15Å; L27-M29 HydrophobicContact CD1-SD 4.29Å; L27-M29 PolarHBondContact O-N 3Å; L27-M29 VanDerWaalsContact O-N 3.1Å; L27-F124 WeakPolarHBondContact CD1-O 3.24Å; L27-F124 VanDerWaalsContact CD2-O 3.25Å; L27-F124 WeakPolarHBondContact CD2-O 3.43Å; L27-I125 HydrophobicContact CD1-CB 4.46Å; L27-I125 HydrophobicContact CD1-CG1 3.72Å; L27-L129 HydrophobicContact CD1-CD2 3.71Å; L27-L129 HydrophobicContact CG-CD2 4.41Å |
| 28 | D | 83.9 | Confident | 89.5 | Confident | 121 Ų | 121 | 58.6 Ų | 58.6 | 65% | 0.647 | 33% | 0.327 | S | S | * | . | trans | -83.4 | 83.8 | 171.4 | -170 | 20.8 | 0 | 0 | 0 | 110.2 | A26 Q33 | A26-D28 PolarHBondContact O-N 3.35Å; D28-Q33 PolarHBondContact OD1-NE2 2.98Å | ||
| 29 | M | 83.9 | Confident | 89.4 | Confident | 6 Ų | 6 | 59.8 Ų | 59.8 | 3% | 0.03 | 33% | 0.328 | C | S | . | . | trans | -104.2 | 132.2 | 177.8 | -68.6 | -166.5 | -64.8 | 0 | 0 | 110.9 | Y24 L27 A31 H32 L121 F124 I125 | Y24-M29 HydrophobicContact CD2-CE 4.33Å; Y24-M29 HydrophobicContact CE2-CE 3.66Å; L27-M29 HydrophobicContact CB-CE 4.36Å; L27-M29 HydrophobicContact CB-CG 4.07Å; L27-M29 HydrophobicContact CD1-CE 4.15Å; L27-M29 HydrophobicContact CD1-SD 4.29Å; L27-M29 PolarHBondContact O-N 3Å; L27-M29 VanDerWaalsContact O-N 3.1Å; M29-A31 PolarHBondContact O-N 3.34Å; M29-H32 WeakPolarHBondContact CE-CE1 3.34Å; M29-H32 WeakPolarHBondContact CE-NE2 3.26Å; M29-H32 WeakPolarHBondContact O-CB 3.38Å; M29-H32 PolarHBondContact O-N 3.2Å; M29-L121 HydrophobicContact SD-CD2 4.47Å; M29-F124 HydrophobicContact CG-CB 3.59Å; M29-F124 HydrophobicContact CG-CD1 3.83Å; M29-F124 HydrophobicContact CG-CG 3.75Å; M29-F124 HydrophobicContact SD-CB 3.6Å; M29-F124 HydrophobicContact SD-CG 4.2Å; M29-I125 HydrophobicContact CE-CD1 4.13Å; M29-I125 HydrophobicContact CE-CG1 4.25Å; M29-I125 HydrophobicContact SD-CD1 3.85Å; M29-I125 HydrophobicContact SD-CG1 3.74Å | ||
| 30 | P | 81.3 | Confident | 89.3 | Confident | 82 Ų | 82 | 58.4 Ų | 58.4 | 53% | 0.532 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -53.6 | -34 | 175.5 | -26.8 | 33.9 | 0 | 0 | 0 | 112.8 | H32 Q33 | P30-H32 PolarHBondContact O-N 3.07Å; P30-Q33 PolarHBondContact O-N 3.32Å; P30-Q33 VanDerWaalsContact O-N 3.08Å |
| 31 | A | 77.9 | Confident | 89.2 | Confident | 28 Ų | 28 | 60 Ų | 60 | 23% | 0.231 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.1 | -26.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | M29 T34 K40 F41 | M29-A31 PolarHBondContact O-N 3.34Å; A31-T34 PolarHBondContact O-OG1 2.81Å; A31-K40 PolarHBondContact O-NZ 3.32Å; A31-F41 HydrophobicContact CB-CE2 4.35Å; A31-F41 HydrophobicContact CB-CZ 4.17Å |
| 32 | H | 81.7 | Confident | 89.3 | Confident | 35 Ų | 35 | 59.3 Ų | 59.3 | 16% | 0.162 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -77.6 | -22.6 | 176.4 | -70.1 | 175.7 | 0 | 0 | 0 | 113.3 | Y24 M29 P30 G37 | Y24-H32 AromaticContact CE1-CE1 3.75Å; Y24-H32 AromaticContact CE1-NE2 3.44Å; Y24-H32 WeakPolarHBondContact CE1-NE2 3.28Å; Y24-H32 AromaticContact CE2-NE2 3.82Å; Y24-H32 AromaticContact CZ-CE1 3.74Å; Y24-H32 AromaticContact CZ-NE2 3.15Å; Y24-H32 PolarHBondContact O-CE1 3.26Å; Y24-H32 PolarHBondContact OH-NE2 3.43Å; M29-H32 WeakPolarHBondContact CE-CE1 3.34Å; M29-H32 WeakPolarHBondContact CE-NE2 3.26Å; M29-H32 WeakPolarHBondContact O-CB 3.38Å; M29-H32 PolarHBondContact O-N 3.2Å; P30-H32 PolarHBondContact O-N 3.07Å; H32-G37 VanDerWaalsContact O-CA 3.31Å; H32-G37 WeakPolarHBondContact O-CA 3.47Å |
| 33 | Q | 80.8 | Confident | 89.3 | Confident | 146 Ų | 146 | 56.2 Ų | 56.2 | 68% | 0.682 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -86.6 | -13.2 | -178.7 | -57 | -179.2 | 2.1 | 0 | 0 | 112.3 | D28 P30 | D28-Q33 PolarHBondContact OD1-NE2 2.98Å; P30-Q33 PolarHBondContact O-N 3.32Å; P30-Q33 VanDerWaalsContact O-N 3.08Å |
| 34 | T | 86.2 | Confident | 89.4 | Confident | 62 Ų | 62 | 52.2 Ų | 52.2 | 38% | 0.38 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -76.6 | 163.3 | 174.5 | 62.5 | 0 | 0 | 0 | 0 | 112.8 | A31 G36 G37 K40 | A31-T34 PolarHBondContact O-OG1 2.81Å; T34-G36 PolarHBondContact O-N 2.93Å; T34-G37 WeakPolarHBondContact O-CA 3.35Å; T34-G37 PolarHBondContact O-N 3.34Å; T34-K40 PolarHBondContact OG1-NZ 3.25Å |
| 35 | Y | 88.8 | Confident | 89.7 | Confident | 107 Ų | 107 | 52.8 Ų | 52.8 | 42% | 0.42 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 136 | 176.1 | -175.1 | -97.1 | 0 | 0 | 0 | 112.2 | G37 W172 W175 V176 V179 T180 | Y35-G37 PolarHBondContact O-N 3.48Å; Y35-W172 HydrophobicContact CE1-CH2 4.11Å; Y35-W172 HydrophobicContact CE1-CZ3 4.39Å; Y35-W175 AromaticContact CE1-CD1 3.95Å; Y35-W175 AromaticContact CE1-NE1 3.83Å; Y35-W175 AromaticContact CZ-NE1 3.84Å; Y35-W175 PolarHBondContact OH-NE1 2.87Å; Y35-V176 HydrophobicContact CD1-CG2 4.46Å; Y35-V179 HydrophobicContact CD1-CB 4.06Å; Y35-V179 HydrophobicContact CD1-CG1 3.8Å; Y35-V179 HydrophobicContact CD2-CG1 4.1Å; Y35-V179 HydrophobicContact CE1-CB 4.04Å; Y35-V179 HydrophobicContact CE1-CG1 3.97Å; Y35-V179 HydrophobicContact CE1-CG2 4.04Å; Y35-V179 HydrophobicContact CE2-CG1 4.25Å; Y35-V179 HydrophobicContact CG-CG1 3.86Å; Y35-T180 HydrophobicContact CD1-CG2 4.31Å; Y35-T180 HydrophobicContact CG-CG2 4.36Å |
| 36 | G | 87.8 | Confident | 90 | Very high | 21 Ų | 21 | 47.9 Ų | 47.9 | 22% | 0.216 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | -14.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | T34 S38 W39 K40 | T34-G36 PolarHBondContact O-N 2.93Å; G36-S38 PolarHBondContact O-N 3.4Å; G36-W39 WeakPolarHBondContact O-CA 3.33Å; G36-W39 WeakPolarHBondContact O-CB 3.16Å; G36-W39 PolarHBondContact O-N 3.4Å; G36-K40 PolarHBondContact O-N 3.01Å |
| 37 | G | 92.6 | Very high | 90.4 | Very high | 14 Ų | 14 | 44 Ų | 44 | 14% | 0.144 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | 48.2 | -135.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | H32 T34 Y35 W39 K40 | H32-G37 VanDerWaalsContact O-CA 3.31Å; H32-G37 WeakPolarHBondContact O-CA 3.47Å; T34-G37 WeakPolarHBondContact O-CA 3.35Å; T34-G37 PolarHBondContact O-N 3.34Å; Y35-G37 PolarHBondContact O-N 3.48Å; G37-W39 VanDerWaalsContact C-N 3.26Å; G37-W39 PolarHBondContact O-N 3.49Å; G37-K40 WeakPolarHBondContact O-CD 3.28Å; G37-K40 VanDerWaalsContact O-CG 3.29Å; G37-K40 WeakPolarHBondContact O-CG 3.44Å |
| 38 | S | 93.3 | Very high | 90.8 | Very high | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.028 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -65.4 | -27.6 | 174.5 | -46.3 | 0 | 0 | 0 | 0 | 113.6 | K25 G36 K40 F41 F44 | K25-S38 PolarHBondContact NZ-OG 2.93Å; G36-S38 PolarHBondContact O-N 3.4Å; S38-K40 PolarHBondContact O-N 2.8Å; S38-F41 PolarHBondContact O-N 3.38Å; S38-F41 VanDerWaalsContact O-N 3.16Å; S38-F44 WeakPolarHBondContact O-CB 3.31Å |
| 39 | W | 94.9 | Very high | 91.5 | Very high | 128 Ų | 128 | 39.1 Ų | 39.1 | 49% | 0.485 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -73.3 | -8.7 | -173.7 | -66.6 | 102.4 | 0 | 0 | 0 | 114 | G36 G37 F41 F44 I45 V48 W172 | G36-W39 WeakPolarHBondContact O-CA 3.33Å; G36-W39 WeakPolarHBondContact O-CB 3.16Å; G36-W39 PolarHBondContact O-N 3.4Å; G37-W39 VanDerWaalsContact C-N 3.26Å; G37-W39 PolarHBondContact O-N 3.49Å; W39-F41 VanDerWaalsContact C-N 3.26Å; W39-F44 AromaticContact CD2-CD1 3.99Å; W39-F44 HydrophobicContact CD2-CD1 3.99Å; W39-F44 AromaticContact CD2-CE1 3.71Å; W39-F44 HydrophobicContact CD2-CE1 3.71Å; W39-F44 AromaticContact CE2-CE1 3.63Å; W39-F44 HydrophobicContact CE3-CD1 4.05Å; W39-F44 HydrophobicContact CE3-CE1 4Å; W39-F44 HydrophobicContact CG-CD1 4.34Å; W39-F44 HydrophobicContact CG-CE1 4.23Å; W39-F44 HydrophobicContact CH2-CE1 4.17Å; W39-F44 AromaticContact CZ2-CE1 3.89Å; W39-F44 HydrophobicContact CZ2-CE1 3.89Å; W39-F44 HydrophobicContact CZ3-CD1 4.5Å; W39-F44 HydrophobicContact CZ3-CE1 4.22Å; W39-I45 HydrophobicContact CE3-CG1 4.05Å; W39-V48 HydrophobicContact CH2-CB 4.36Å; W39-V48 HydrophobicContact CH2-CG1 4.06Å; W39-V48 HydrophobicContact CH2-CG2 3.99Å; W39-V48 HydrophobicContact CZ3-CB 4.48Å; W39-V48 HydrophobicContact CZ3-CG1 4.49Å; W39-V48 HydrophobicContact CZ3-CG2 4.3Å; W39-W172 PolarHBondContact O-NE1 3.16Å |
| 40 | K | 94.9 | Very high | 92.2 | Very high | 25 Ų | 25 | 38.9 Ų | 38.9 | 11% | 0.109 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -69.6 | -26.8 | 169.4 | 75.5 | -167.6 | -179.3 | 175.7 | 0 | 112.2 | A31 T34 G36 G37 S38 Y169 V176 V184 | A31-K40 PolarHBondContact O-NZ 3.32Å; T34-K40 PolarHBondContact OG1-NZ 3.25Å; G36-K40 PolarHBondContact O-N 3.01Å; G37-K40 WeakPolarHBondContact O-CD 3.28Å; G37-K40 VanDerWaalsContact O-CG 3.29Å; G37-K40 WeakPolarHBondContact O-CG 3.44Å; S38-K40 PolarHBondContact O-N 2.8Å; K40-Y169 PolarHBondContact O-OH 2.94Å; K40-V176 HydrophobicContact CB-CG2 4.33Å; K40-V184 HydrophobicContact CB-CG1 4.38Å; K40-V184 HydrophobicContact CB-CG2 3.9Å; K40-V184 HydrophobicContact CD-CG2 4.46Å; K40-V184 HydrophobicContact CG-CG1 4.12Å; K40-V184 HydrophobicContact CG-CG2 4.23Å; K40-V184 WeakPolarHBondContact O-CG1 3.24Å |
| 41 | F | 95.8 | Very high | 93 | Very high | 43 Ų | 43 | 35.3 Ų | 35.3 | 19% | 0.189 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -88.7 | 128.2 | -177.1 | -57.6 | -70.1 | 0 | 0 | 0 | 111.9 | A31 S38 W39 T43 F44 I45 V184 | A31-F41 HydrophobicContact CB-CE2 4.35Å; A31-F41 HydrophobicContact CB-CZ 4.17Å; S38-F41 PolarHBondContact O-N 3.38Å; S38-F41 VanDerWaalsContact O-N 3.16Å; W39-F41 VanDerWaalsContact C-N 3.26Å; F41-T43 VanDerWaalsContact C-N 3.27Å; F41-T43 PolarHBondContact O-N 3.43Å; F41-F44 HydrophobicContact CB-CB 4.43Å; F41-F44 PolarHBondContact O-N 2.8Å; F41-F44 VanDerWaalsContact O-N 3.12Å; F41-I45 PolarHBondContact O-N 3.03Å; F41-V184 HydrophobicContact CD1-CG1 3.82Å; F41-V184 HydrophobicContact CE1-CG1 4.07Å |
| 42 | L | 97.4 | Very high | 94 | Very high | 10 Ų | 10 | 37.8 Ų | 37.8 | 5% | 0.052 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.8 | -37.3 | 179.1 | -172.4 | 58.6 | 0 | 0 | 0 | 111.4 | F44 I45 D46 V97 F100 V101 F165 Y169 Y185 | L42-F44 PolarHBondContact O-N 2.77Å; L42-I45 HydrophobicContact CD1-CB 4.46Å; L42-I45 HydrophobicContact CD1-CD1 4.5Å; L42-I45 WeakPolarHBondContact O-CB 3.39Å; L42-I45 PolarHBondContact O-N 2.89Å; L42-I45 VanDerWaalsContact O-N 3.11Å; L42-D46 WeakPolarHBondContact O-CB 3.27Å; L42-D46 PolarHBondContact O-N 3.46Å; L42-V97 HydrophobicContact CD1-CG1 4.27Å; L42-F100 HydrophobicContact CD2-CD1 3.77Å; L42-F100 HydrophobicContact CD2-CE1 3.62Å; L42-V101 HydrophobicContact CB-CG2 4.5Å; L42-V101 HydrophobicContact CD2-CG2 3.92Å; L42-V101 HydrophobicContact CG-CG2 3.8Å; L42-F165 HydrophobicContact CD1-CE1 4.12Å; L42-F165 HydrophobicContact CD1-CZ 4.18Å; L42-Y169 HydrophobicContact CB-CD1 4.39Å; L42-Y169 HydrophobicContact CB-CE1 3.71Å; L42-Y169 HydrophobicContact CB-CE2 4.15Å; L42-Y169 HydrophobicContact CD1-CD1 4.05Å; L42-Y169 HydrophobicContact CD1-CD2 4.07Å; L42-Y169 HydrophobicContact CD1-CE1 4.21Å; L42-Y169 HydrophobicContact CD1-CE2 4.25Å; L42-Y169 HydrophobicContact CD1-CG 3.99Å; L42-Y169 HydrophobicContact CD2-CD1 4.24Å; L42-Y169 HydrophobicContact CD2-CE1 4.15Å; L42-Y169 HydrophobicContact CG-CD1 4.46Å; L42-Y169 HydrophobicContact CG-CE1 4.24Å; L42-Y169 PolarHBondContact N-OH 2.88Å; L42-Y169 VanDerWaalsContact N-OH 3.09Å; L42-Y185 VanDerWaalsContact CB-OH 3.29Å; L42-Y185 WeakPolarHBondContact CB-OH 3.48Å; L42-Y185 PolarHBondContact N-OH 2.86Å |
| 43 | T | 96.4 | Very high | 94.8 | Very high | 20 Ų | 20 | 36.1 Ų | 36.1 | 12% | 0.123 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.2 | -41.9 | 174.8 | -49.5 | 0 | 0 | 0 | 0 | 111.8 | F41 D46 L47 V101 M133 H134 | F41-T43 VanDerWaalsContact C-N 3.27Å; F41-T43 PolarHBondContact O-N 3.43Å; T43-D46 PolarHBondContact O-N 3.1Å; T43-L47 HydrophobicContact CG2-CD1 4.32Å; T43-L47 VanDerWaalsContact O-CG 3.26Å; T43-L47 WeakPolarHBondContact O-CG 3.26Å; T43-L47 PolarHBondContact O-N 3.35Å; T43-V101 HydrophobicContact CG2-CG1 4.33Å; T43-M133 HydrophobicContact CG2-CB 3.79Å; T43-H134 WeakPolarHBondContact CG2-NE2 3.34Å; T43-H134 PolarHBondContact OG1-NE2 2.87Å |
| 44 | F | 96.9 | Very high | 95.6 | Very high | 8 Ų | 8 | 29.2 Ų | 29.2 | 4% | 0.035 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.3 | -41.2 | 178.7 | -177.7 | -101.1 | 0 | 0 | 0 | 111.8 | L21 Y24 K25 S38 W39 F41 L42 D46 L47 V48 | L21-F44 HydrophobicContact CD2-CD2 4.18Å; L21-F44 HydrophobicContact CD2-CE2 3.65Å; L21-F44 HydrophobicContact CD2-CZ 4.34Å; Y24-F44 AromaticContact CD1-CD2 3.56Å; Y24-F44 HydrophobicContact CD1-CD2 3.56Å; Y24-F44 AromaticContact CD1-CE2 3.88Å; Y24-F44 HydrophobicContact CD1-CE2 3.88Å; Y24-F44 HydrophobicContact CE1-CB 4.34Å; Y24-F44 AromaticContact CE1-CD2 3.38Å; Y24-F44 HydrophobicContact CE1-CD2 3.38Å; Y24-F44 HydrophobicContact CE1-CE2 4.02Å; Y24-F44 HydrophobicContact CE1-CG 4.1Å; K25-F44 HydrophobicContact CD-CE2 4.44Å; K25-F44 HydrophobicContact CG-CE2 4.48Å; S38-F44 WeakPolarHBondContact O-CB 3.31Å; W39-F44 AromaticContact CD2-CD1 3.99Å; W39-F44 HydrophobicContact CD2-CD1 3.99Å; W39-F44 AromaticContact CD2-CE1 3.71Å; W39-F44 HydrophobicContact CD2-CE1 3.71Å; W39-F44 AromaticContact CE2-CE1 3.63Å; W39-F44 HydrophobicContact CE3-CD1 4.05Å; W39-F44 HydrophobicContact CE3-CE1 4Å; W39-F44 HydrophobicContact CG-CD1 4.34Å; W39-F44 HydrophobicContact CG-CE1 4.23Å; W39-F44 HydrophobicContact CH2-CE1 4.17Å; W39-F44 AromaticContact CZ2-CE1 3.89Å; W39-F44 HydrophobicContact CZ2-CE1 3.89Å; W39-F44 HydrophobicContact CZ3-CD1 4.5Å; W39-F44 HydrophobicContact CZ3-CE1 4.22Å; F41-F44 HydrophobicContact CB-CB 4.43Å; F41-F44 PolarHBondContact O-N 2.8Å; F41-F44 VanDerWaalsContact O-N 3.12Å; L42-F44 PolarHBondContact O-N 2.77Å; F44-D46 VanDerWaalsContact C-N 3.33Å; F44-D46 PolarHBondContact O-N 3.33Å; F44-L47 PolarHBondContact O-N 3.01Å; F44-V48 HydrophobicContact CD1-CG2 4.46Å; F44-V48 HydrophobicContact CE1-CG2 3.95Å; F44-V48 HydrophobicContact CE2-CG2 4.49Å; F44-V48 HydrophobicContact CZ-CG2 3.94Å; F44-V48 WeakPolarHBondContact O-CG2 3.36Å; F44-V48 PolarHBondContact O-N 2.77Å; F44-V48 VanDerWaalsContact O-N 3.12Å |
| 45 | I | 98.1 | Very high | 96.2 | Very high | 26 Ų | 26 | 27.4 Ų | 27.4 | 13% | 0.133 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.3 | -45.4 | 175.1 | -61.2 | 171.3 | 0 | 0 | 0 | 110.2 | W39 F41 L42 V48 I49 F165 Y169 | W39-I45 HydrophobicContact CE3-CG1 4.05Å; F41-I45 PolarHBondContact O-N 3.03Å; L42-I45 HydrophobicContact CD1-CB 4.46Å; L42-I45 HydrophobicContact CD1-CD1 4.5Å; L42-I45 WeakPolarHBondContact O-CB 3.39Å; L42-I45 PolarHBondContact O-N 2.89Å; L42-I45 VanDerWaalsContact O-N 3.11Å; I45-V48 PolarHBondContact O-N 3.45Å; I45-I49 HydrophobicContact CG2-CD1 3.86Å; I45-I49 HydrophobicContact CG2-CG1 4.41Å; I45-I49 WeakPolarHBondContact O-CG1 3.42Å; I45-I49 PolarHBondContact O-N 3.43Å; I45-F165 HydrophobicContact CG2-CE2 4.49Å; I45-F165 HydrophobicContact CG2-CZ 4.17Å; I45-Y169 HydrophobicContact CD1-CD2 3.71Å; I45-Y169 HydrophobicContact CD1-CE2 3.67Å |
| 46 | D | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.6 | -49 | 177.5 | 179.3 | 44.2 | 0 | 0 | 0 | 111.2 | L42 T43 F44 V48 I49 Q50 V97 G98 V101 | L42-D46 WeakPolarHBondContact O-CB 3.27Å; L42-D46 PolarHBondContact O-N 3.46Å; T43-D46 PolarHBondContact O-N 3.1Å; F44-D46 VanDerWaalsContact C-N 3.33Å; F44-D46 PolarHBondContact O-N 3.33Å; D46-V48 PolarHBondContact O-N 2.8Å; D46-I49 CarbonylContact O-C 3.58Å; D46-I49 WeakPolarHBondContact O-CA 3.17Å; D46-I49 WeakPolarHBondContact O-CB 3.28Å; D46-I49 PolarHBondContact O-N 2.81Å; D46-Q50 VanDerWaalsContact O-CG 3.31Å; D46-Q50 WeakPolarHBondContact O-CG 3.37Å; D46-Q50 PolarHBondContact O-N 2.78Å; D46-Q50 PolarHBondContact OD1-NE2 3.13Å; D46-V97 HydrophobicContact CB-CG1 3.99Å; D46-G98 WeakPolarHBondContact OD1-CA 3.27Å; D46-G98 PolarHBondContact OD1-N 3.28Å; D46-V101 HydrophobicContact CB-CG2 3.98Å |
| 47 | L | 98.2 | Very high | 97 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.2 | -37.9 | 176.7 | -69.6 | 166.4 | 0 | 0 | 0 | 113.3 | Y17 I20 L21 T43 F44 A51 M133 V137 | Y17-L47 HydrophobicContact CD1-CD2 3.91Å; Y17-L47 HydrophobicContact CE1-CD2 3.88Å; I20-L47 HydrophobicContact CG2-CD1 4.07Å; I20-L47 HydrophobicContact CG2-CD2 4.08Å; L21-L47 HydrophobicContact CD2-CB 3.85Å; L21-L47 HydrophobicContact CG-CB 4.43Å; T43-L47 HydrophobicContact CG2-CD1 4.32Å; T43-L47 VanDerWaalsContact O-CG 3.26Å; T43-L47 WeakPolarHBondContact O-CG 3.26Å; T43-L47 PolarHBondContact O-N 3.35Å; F44-L47 PolarHBondContact O-N 3.01Å; L47-A51 WeakPolarHBondContact O-CB 3.06Å; L47-A51 PolarHBondContact O-N 3.12Å; L47-M133 HydrophobicContact CD1-CB 4.04Å; L47-M133 HydrophobicContact CD1-CG 3.66Å; L47-M133 HydrophobicContact CD1-SD 4.32Å; L47-V137 HydrophobicContact CD2-CG2 4.31Å |
| 48 | V | 98.3 | Very high | 97.2 | Very high | 36 Ų | 36 | 22.6 Ų | 22.6 | 22% | 0.218 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.8 | -44.2 | 173.7 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | L21 W39 F44 I45 D46 Q50 A51 V52 | L21-V48 HydrophobicContact CD2-CG2 4.16Å; W39-V48 HydrophobicContact CH2-CB 4.36Å; W39-V48 HydrophobicContact CH2-CG1 4.06Å; W39-V48 HydrophobicContact CH2-CG2 3.99Å; W39-V48 HydrophobicContact CZ3-CB 4.48Å; W39-V48 HydrophobicContact CZ3-CG1 4.49Å; W39-V48 HydrophobicContact CZ3-CG2 4.3Å; F44-V48 HydrophobicContact CD1-CG2 4.46Å; F44-V48 HydrophobicContact CE1-CG2 3.95Å; F44-V48 HydrophobicContact CE2-CG2 4.49Å; F44-V48 HydrophobicContact CZ-CG2 3.94Å; F44-V48 WeakPolarHBondContact O-CG2 3.36Å; F44-V48 PolarHBondContact O-N 2.77Å; F44-V48 VanDerWaalsContact O-N 3.12Å; I45-V48 PolarHBondContact O-N 3.45Å; D46-V48 PolarHBondContact O-N 2.8Å; V48-Q50 VanDerWaalsContact C-N 3.32Å; V48-Q50 PolarHBondContact O-N 3.37Å; V48-A51 PolarHBondContact O-N 3.04Å; V48-V52 HydrophobicContact CG1-CG2 4.21Å; V48-V52 WeakPolarHBondContact O-CB 3.31Å; V48-V52 VanDerWaalsContact O-CG2 3.27Å; V48-V52 WeakPolarHBondContact O-CG2 3.39Å; V48-V52 PolarHBondContact O-N 3.3Å |
| 49 | I | 98.4 | Very high | 97.3 | Very high | 20 Ų | 20 | 26.5 Ų | 26.5 | 10% | 0.103 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.4 | -47.9 | 174.8 | -71.2 | 167.3 | 0 | 0 | 0 | 110.3 | I45 D46 V52 F53 L93 A94 F165 | I45-I49 HydrophobicContact CG2-CD1 3.86Å; I45-I49 HydrophobicContact CG2-CG1 4.41Å; I45-I49 WeakPolarHBondContact O-CG1 3.42Å; I45-I49 PolarHBondContact O-N 3.43Å; D46-I49 CarbonylContact O-C 3.58Å; D46-I49 WeakPolarHBondContact O-CA 3.17Å; D46-I49 WeakPolarHBondContact O-CB 3.28Å; D46-I49 PolarHBondContact O-N 2.81Å; I49-V52 PolarHBondContact O-N 3.37Å; I49-F53 VanDerWaalsContact O-CB 3.22Å; I49-F53 WeakPolarHBondContact O-CB 3.42Å; I49-F53 PolarHBondContact O-N 3.1Å; I49-L93 HydrophobicContact CG2-CB 3.85Å; I49-A94 HydrophobicContact CG2-CB 4.21Å; I49-F165 HydrophobicContact CD1-CE2 4.07Å; I49-F165 HydrophobicContact CD1-CZ 3.96Å |
| 50 | Q | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.6 | -46.8 | 178.2 | -60.5 | -56.5 | -32.7 | 0 | 0 | 111.5 | Y17 D46 V48 V52 F53 F54 A94 V137 | Y17-Q50 HydrophobicContact CD1-CB 4.12Å; Y17-Q50 HydrophobicContact CD2-CB 4.16Å; Y17-Q50 HydrophobicContact CE1-CB 3.63Å; Y17-Q50 HydrophobicContact CE1-CG 4.01Å; Y17-Q50 HydrophobicContact CE2-CB 3.65Å; Y17-Q50 HydrophobicContact CE2-CG 4.48Å; Y17-Q50 HydrophobicContact CG-CB 4.37Å; Y17-Q50 WeakPolarHBondContact OH-CG 3.47Å; D46-Q50 VanDerWaalsContact O-CG 3.31Å; D46-Q50 WeakPolarHBondContact O-CG 3.37Å; D46-Q50 PolarHBondContact O-N 2.78Å; D46-Q50 PolarHBondContact OD1-NE2 3.13Å; V48-Q50 VanDerWaalsContact C-N 3.32Å; V48-Q50 PolarHBondContact O-N 3.37Å; Q50-V52 PolarHBondContact O-N 3.02Å; Q50-F53 PolarHBondContact O-N 3.01Å; Q50-F54 WeakPolarHBondContact O-CD2 3.24Å; Q50-F54 PolarHBondContact O-N 2.93Å; Q50-A94 PolarHBondContact NE2-O 3Å; Q50-V137 HydrophobicContact CG-CG1 3.85Å |
| 51 | A | 98.3 | Very high | 97.2 | Very high | 8 Ų | 8 | 20.4 Ų | 20.4 | 7% | 0.066 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.6 | -43.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | L14 L21 L47 V48 G55 | L14-A51 VanDerWaalsContact CD1-O 3.24Å; L14-A51 WeakPolarHBondContact CD1-O 3.37Å; L21-A51 HydrophobicContact CD1-CB 3.79Å; L47-A51 WeakPolarHBondContact O-CB 3.06Å; L47-A51 PolarHBondContact O-N 3.12Å; V48-A51 PolarHBondContact O-N 3.04Å; A51-G55 PolarHBondContact O-N 3.2Å |
| 52 | V | 98.4 | Very high | 97 | Very high | 80 Ų | 80 | 21.7 Ų | 21.7 | 49% | 0.485 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -66.4 | -41.9 | 176.7 | 177 | 0 | 0 | 0 | 0 | 110.7 | V48 I49 Q50 G55 L56 M89 | V48-V52 HydrophobicContact CG1-CG2 4.21Å; V48-V52 WeakPolarHBondContact O-CB 3.31Å; V48-V52 VanDerWaalsContact O-CG2 3.27Å; V48-V52 WeakPolarHBondContact O-CG2 3.39Å; V48-V52 PolarHBondContact O-N 3.3Å; I49-V52 PolarHBondContact O-N 3.37Å; Q50-V52 PolarHBondContact O-N 3.02Å; V52-G55 PolarHBondContact O-N 3.01Å; V52-L56 WeakPolarHBondContact O-CB 3.04Å; V52-L56 PolarHBondContact O-N 3.4Å; V52-M89 HydrophobicContact CB-CE 4.47Å; V52-M89 HydrophobicContact CG1-CE 3.92Å |
| 53 | F | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.9 | -51.6 | 177.4 | 170.1 | -104.6 | 0 | 0 | 0 | 112 | I49 Q50 G55 L56 C57 R86 M89 M90 A94 I141 E144 | I49-F53 VanDerWaalsContact O-CB 3.22Å; I49-F53 WeakPolarHBondContact O-CB 3.42Å; I49-F53 PolarHBondContact O-N 3.1Å; Q50-F53 PolarHBondContact O-N 3.01Å; F53-G55 VanDerWaalsContact C-N 3.29Å; F53-G55 PolarHBondContact O-N 2.96Å; F53-L56 WeakPolarHBondContact O-CB 3.41Å; F53-L56 PolarHBondContact O-N 2.92Å; F53-L56 VanDerWaalsContact O-N 3.12Å; F53-C57 PolarHBondContact O-N 3.4Å; F53-C57 PolarHBondContact O-SG 3.34Å; F53-C57 VanDerWaalsContact O-SG 3.4Å; F53-R86 HydrophobicContact CD2-CG 4.47Å; F53-R86 HydrophobicContact CE2-CG 3.76Å; F53-R86 HydrophobicContact CZ-CG 4.48Å; F53-M89 HydrophobicContact CB-CE 4.38Å; F53-M89 HydrophobicContact CD2-CB 4.26Å; F53-M90 HydrophobicContact CE1-SD 3.98Å; F53-M90 HydrophobicContact CE2-CB 3.66Å; F53-M90 HydrophobicContact CE2-CG 4.35Å; F53-M90 HydrophobicContact CE2-SD 4.11Å; F53-M90 HydrophobicContact CZ-CB 3.99Å; F53-M90 HydrophobicContact CZ-CG 4.19Å; F53-M90 HydrophobicContact CZ-SD 3.52Å; F53-M90 VanDerWaalsContact CZ-SD 3.52Å; F53-A94 HydrophobicContact CB-CB 4.14Å; F53-A94 HydrophobicContact CD1-CB 4.09Å; F53-A94 HydrophobicContact CD2-CB 4.26Å; F53-A94 HydrophobicContact CG-CB 3.88Å; F53-I141 HydrophobicContact CD1-CD1 3.8Å; F53-I141 HydrophobicContact CE1-CD1 3.44Å; F53-I141 VanDerWaalsContact CE1-CD1 3.44Å; F53-I141 HydrophobicContact CZ-CD1 4.22Å; F53-E144 HydrophobicContact CE1-CB 4.45Å; F53-E144 HydrophobicContact CE1-CG 3.8Å; F53-E144 HydrophobicContact CZ-CG 3.8Å |
| 54 | F | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.8 | -31.6 | 176.8 | -80.8 | -77.4 | 0 | 0 | 0 | 112.3 | R10 I13 L14 Y17 Q50 L56 C57 V58 F140 I141 E144 | R10-F54 HydrophobicContact CB-CD1 4.47Å; R10-F54 HydrophobicContact CG-CD1 4.31Å; I13-F54 HydrophobicContact CB-CD1 4.14Å; I13-F54 HydrophobicContact CB-CE1 4.15Å; I13-F54 HydrophobicContact CB-CG 4.49Å; I13-F54 HydrophobicContact CD1-CE1 3.84Å; I13-F54 HydrophobicContact CD1-CZ 4.14Å; I13-F54 HydrophobicContact CG2-CD1 3.75Å; I13-F54 HydrophobicContact CG2-CD2 3.67Å; I13-F54 HydrophobicContact CG2-CE1 3.71Å; I13-F54 HydrophobicContact CG2-CE2 3.64Å; I13-F54 HydrophobicContact CG2-CG 3.74Å; I13-F54 HydrophobicContact CG2-CZ 3.66Å; L14-F54 HydrophobicContact CB-CB 4.18Å; L14-F54 HydrophobicContact CD1-CB 4.22Å; Y17-F54 HydrophobicContact CD2-CD2 4.01Å; Y17-F54 AromaticContact CE2-CD2 3.52Å; Y17-F54 HydrophobicContact CE2-CD2 3.52Å; Y17-F54 AromaticContact CE2-CE2 3.72Å; Y17-F54 HydrophobicContact CE2-CE2 3.72Å; Y17-F54 HydrophobicContact CE2-CG 4.49Å; Q50-F54 WeakPolarHBondContact O-CD2 3.24Å; Q50-F54 PolarHBondContact O-N 2.93Å; F54-L56 VanDerWaalsContact C-N 3.33Å; F54-C57 PolarHBondContact O-N 3.47Å; F54-V58 WeakPolarHBondContact O-CG2 3.43Å; F54-V58 PolarHBondContact O-N 3.34Å; F54-F140 HydrophobicContact CE2-CB 4.45Å; F54-F140 HydrophobicContact CZ-CB 4.32Å; F54-I141 HydrophobicContact CE2-CD1 4.28Å; F54-I141 HydrophobicContact CZ-CD1 4.43Å; F54-E144 HydrophobicContact CE1-CB 3.98Å; F54-E144 HydrophobicContact CE1-CG 4.38Å; F54-E144 HydrophobicContact CZ-CB 3.95Å |
| 55 | G | 97.9 | Very high | 95.7 | Very high | 24 Ų | 24 | 27.3 Ų | 27.3 | 25% | 0.247 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.6 | -42.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A51 V52 F53 V58 L59 | A51-G55 PolarHBondContact O-N 3.2Å; V52-G55 PolarHBondContact O-N 3.01Å; F53-G55 VanDerWaalsContact C-N 3.29Å; F53-G55 PolarHBondContact O-N 2.96Å; G55-V58 PolarHBondContact O-N 2.87Å; G55-L59 WeakPolarHBondContact O-CB 3.25Å; G55-L59 PolarHBondContact O-N 2.74Å |
| 56 | L | 97.4 | Very high | 95 | Very high | 17 Ų | 17 | 32.2 Ų | 32.2 | 9% | 0.089 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.3 | -41 | 174.2 | 178.8 | 60.7 | 0 | 0 | 0 | 111.8 | V52 F53 F54 L59 I60 L82 L85 R86 M89 | V52-L56 WeakPolarHBondContact O-CB 3.04Å; V52-L56 PolarHBondContact O-N 3.4Å; F53-L56 WeakPolarHBondContact O-CB 3.41Å; F53-L56 PolarHBondContact O-N 2.92Å; F53-L56 VanDerWaalsContact O-N 3.12Å; F54-L56 VanDerWaalsContact C-N 3.33Å; L56-L59 PolarHBondContact O-N 3.25Å; L56-I60 HydrophobicContact CD1-CD1 4.11Å; L56-I60 HydrophobicContact CD1-CG1 4.36Å; L56-I60 HydrophobicContact CG-CD1 4.02Å; L56-I60 WeakPolarHBondContact O-CD1 3.37Å; L56-I60 VanDerWaalsContact O-CG1 3.29Å; L56-I60 WeakPolarHBondContact O-CG1 3.41Å; L56-I60 PolarHBondContact O-N 2.87Å; L56-L82 HydrophobicContact CD1-CB 4.32Å; L56-L82 HydrophobicContact CD1-CD2 3.79Å; L56-L85 HydrophobicContact CD2-CB 4.28Å; L56-L85 HydrophobicContact CD2-CD2 3.97Å; L56-L85 HydrophobicContact CD2-CG 3.82Å; L56-R86 HydrophobicContact CD2-CB 3.78Å; L56-R86 HydrophobicContact CG-CB 4.11Å; L56-M89 HydrophobicContact CD2-SD 3.77Å |
| 57 | C | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.1 | -46.8 | 174.3 | -66.4 | 0 | 0 | 0 | 0 | 111.9 | R10 F53 F54 L59 I60 D61 | R10-C57 HydrophobicContact CG-CB 4.27Å; F53-C57 PolarHBondContact O-N 3.4Å; F53-C57 PolarHBondContact O-SG 3.34Å; F53-C57 VanDerWaalsContact O-SG 3.4Å; F54-C57 PolarHBondContact O-N 3.47Å; C57-L59 PolarHBondContact O-N 3.26Å; C57-I60 PolarHBondContact O-N 3.28Å; C57-D61 PolarHBondContact O-N 3.12Å |
| 58 | V | 96.8 | Very high | 92.6 | Very high | 25 Ų | 25 | 41.6 Ų | 41.6 | 15% | 0.152 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.6 | -40.8 | 176.4 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | R10 V11 L14 F54 G55 I60 D61 V62 | R10-V58 HydrophobicContact CB-CG2 3.96Å; V11-V58 HydrophobicContact CG2-CG1 4.03Å; V11-V58 HydrophobicContact CG2-CG2 3.8Å; L14-V58 HydrophobicContact CD2-CB 4.25Å; L14-V58 HydrophobicContact CD2-CG2 3.94Å; F54-V58 WeakPolarHBondContact O-CG2 3.43Å; F54-V58 PolarHBondContact O-N 3.34Å; G55-V58 PolarHBondContact O-N 2.87Å; V58-I60 VanDerWaalsContact C-N 3.34Å; V58-I60 PolarHBondContact O-N 3.37Å; V58-D61 PolarHBondContact O-N 2.86Å; V58-V62 HydrophobicContact CG1-CG2 4.44Å; V58-V62 WeakPolarHBondContact O-CG2 3.43Å; V58-V62 PolarHBondContact O-N 3.28Å |
| 59 | L | 95.3 | Very high | 90.9 | Very high | 86 Ų | 86 | 44 Ų | 44 | 45% | 0.45 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 176.3 | 177.9 | 63 | 0 | 0 | 0 | 111.8 | G55 L56 C57 S63 L82 | G55-L59 WeakPolarHBondContact O-CB 3.25Å; G55-L59 PolarHBondContact O-N 2.74Å; L56-L59 PolarHBondContact O-N 3.25Å; C57-L59 PolarHBondContact O-N 3.26Å; L59-S63 VanDerWaalsContact O-CB 3.24Å; L59-S63 WeakPolarHBondContact O-CB 3.35Å; L59-S63 PolarHBondContact O-N 3.24Å; L59-S63 PolarHBondContact O-OG 3.49Å; L59-L82 HydrophobicContact CD2-CD1 4.42Å |
| 60 | I | 94.5 | Very high | 89.3 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.036 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 175.6 | -72.5 | 163.3 | 0 | 0 | 0 | 110.5 | L56 C57 V58 S63 S64 L79 L82 I83 R86 | L56-I60 HydrophobicContact CD1-CD1 4.11Å; L56-I60 HydrophobicContact CD1-CG1 4.36Å; L56-I60 HydrophobicContact CG-CD1 4.02Å; L56-I60 WeakPolarHBondContact O-CD1 3.37Å; L56-I60 VanDerWaalsContact O-CG1 3.29Å; L56-I60 WeakPolarHBondContact O-CG1 3.41Å; L56-I60 PolarHBondContact O-N 2.87Å; C57-I60 PolarHBondContact O-N 3.28Å; V58-I60 VanDerWaalsContact C-N 3.34Å; V58-I60 PolarHBondContact O-N 3.37Å; I60-S63 PolarHBondContact O-N 3.27Å; I60-S64 VanDerWaalsContact O-CB 3.32Å; I60-S64 WeakPolarHBondContact O-CB 3.48Å; I60-S64 PolarHBondContact O-N 3.4Å; I60-S64 PolarHBondContact O-OG 3.32Å; I60-L79 HydrophobicContact CG2-CD1 4.01Å; I60-L82 HydrophobicContact CD1-CB 4.08Å; I60-L82 HydrophobicContact CG1-CB 3.76Å; I60-I83 HydrophobicContact CD1-CG1 4.34Å; I60-I83 HydrophobicContact CG2-CG1 4.02Å; I60-R86 HydrophobicContact CD1-CB 3.66Å; I60-R86 HydrophobicContact CD1-CG 4.15Å |
| 61 | D | 93.3 | Very high | 87.8 | Confident | 18 Ų | 18 | 53.7 Ų | 53.7 | 10% | 0.096 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.3 | -48.7 | 178.1 | -74.7 | -20.3 | 0 | 0 | 0 | 111.3 | Q7 R10 C57 V58 S63 S64 L65 | Q7-D61 HydrophobicContact CG-CB 4.1Å; R10-D61 WeakPolarHBondContact CD-OD2 3.42Å; R10-D61 IonicContact CZ-OD1 2.9Å; R10-D61 IonicContact CZ-OD2 2.8Å; R10-D61 IonicContact NE-OD2 2.84Å; R10-D61 IonicContact NH1-OD1 3.43Å; R10-D61 PolarHBondContact NH1-OD1 3.02Å; R10-D61 IonicContact NH1-OD2 3.62Å; R10-D61 PolarHBondContact NH1-OD2 2.94Å; C57-D61 PolarHBondContact O-N 3.12Å; V58-D61 PolarHBondContact O-N 2.86Å; D61-S63 PolarHBondContact O-N 3.26Å; D61-S64 PolarHBondContact O-N 3.16Å; D61-S64 PolarHBondContact O-OG 2.71Å; D61-L65 WeakPolarHBondContact O-CG 3.32Å; D61-L65 PolarHBondContact O-N 3.25Å |
| 62 | V | 91.6 | Very high | 86.9 | Confident | 70 Ų | 70 | 55.8 Ų | 55.8 | 42% | 0.424 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 176.1 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | V58 S64 L65 L66 | V58-V62 HydrophobicContact CG1-CG2 4.44Å; V58-V62 WeakPolarHBondContact O-CG2 3.43Å; V58-V62 PolarHBondContact O-N 3.28Å; V62-S64 VanDerWaalsContact C-N 3.31Å; V62-S64 PolarHBondContact O-N 2.99Å; V62-L65 PolarHBondContact O-N 2.95Å; V62-L66 HydrophobicContact CG1-CD1 3.92Å; V62-L66 HydrophobicContact CG1-CG 4.38Å; V62-L66 WeakPolarHBondContact O-CG 3.48Å; V62-L66 PolarHBondContact O-N 3.31Å |
| 63 | S | 89.3 | Confident | 86.2 | Confident | 29 Ų | 29 | 62.5 Ų | 62.5 | 20% | 0.203 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61 | -41.7 | 178.8 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | L59 I60 D61 L65 L66 T67 | L59-S63 VanDerWaalsContact O-CB 3.24Å; L59-S63 WeakPolarHBondContact O-CB 3.35Å; L59-S63 PolarHBondContact O-N 3.24Å; L59-S63 PolarHBondContact O-OG 3.49Å; I60-S63 PolarHBondContact O-N 3.27Å; D61-S63 PolarHBondContact O-N 3.26Å; S63-L65 VanDerWaalsContact C-N 3.35Å; S63-L65 PolarHBondContact O-N 3.39Å; S63-L66 PolarHBondContact O-N 3.12Å; S63-T67 WeakPolarHBondContact O-CB 3.41Å; S63-T67 PolarHBondContact O-N 2.9Å; S63-T67 PolarHBondContact O-OG1 2.94Å |
| 64 | S | 87.4 | Confident | 85.6 | Confident | 37 Ų | 37 | 67.1 Ų | 67.1 | 26% | 0.259 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 177.9 | 77.5 | 0 | 0 | 0 | 0 | 112.5 | I60 D61 V62 T67 K68 | I60-S64 VanDerWaalsContact O-CB 3.32Å; I60-S64 WeakPolarHBondContact O-CB 3.48Å; I60-S64 PolarHBondContact O-N 3.4Å; I60-S64 PolarHBondContact O-OG 3.32Å; D61-S64 PolarHBondContact O-N 3.16Å; D61-S64 PolarHBondContact O-OG 2.71Å; V62-S64 VanDerWaalsContact C-N 3.31Å; V62-S64 PolarHBondContact O-N 2.99Å; S64-T67 PolarHBondContact O-N 3.4Å; S64-K68 PolarHBondContact O-N 3.47Å |
| 65 | L | 86.7 | Confident | 84.9 | Confident | 89 Ų | 89 | 70.5 Ų | 70.5 | 47% | 0.466 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.9 | -42.8 | 176.5 | -71.3 | 172.3 | 0 | 0 | 0 | 111.5 | D61 V62 S63 T67 K68 | D61-L65 WeakPolarHBondContact O-CG 3.32Å; D61-L65 PolarHBondContact O-N 3.25Å; V62-L65 PolarHBondContact O-N 2.95Å; S63-L65 VanDerWaalsContact C-N 3.35Å; S63-L65 PolarHBondContact O-N 3.39Å; L65-T67 VanDerWaalsContact C-N 3.26Å; L65-T67 PolarHBondContact O-N 3.34Å; L65-K68 PolarHBondContact O-N 3Å |
| 66 | L | 83.8 | Confident | 84.4 | Confident | 129 Ų | 129 | 73.7 Ų | 73.7 | 68% | 0.675 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -69.3 | -24.2 | 176.9 | -66.4 | 175.3 | 0 | 0 | 0 | 113 | V62 S63 | V62-L66 HydrophobicContact CG1-CD1 3.92Å; V62-L66 HydrophobicContact CG1-CG 4.38Å; V62-L66 WeakPolarHBondContact O-CG 3.48Å; V62-L66 PolarHBondContact O-N 3.31Å; S63-L66 PolarHBondContact O-N 3.12Å |
| 67 | T | 76.8 | Confident | 84 | Confident | 26 Ų | 26 | 80 Ų | 80 | 16% | 0.16 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -83.4 | -18.9 | 179.2 | -47 | 0 | 0 | 0 | 0 | 112.5 | S63 S64 L65 G69 A70 Q75 | S63-T67 WeakPolarHBondContact O-CB 3.41Å; S63-T67 PolarHBondContact O-N 2.9Å; S63-T67 PolarHBondContact O-OG1 2.94Å; S64-T67 PolarHBondContact O-N 3.4Å; L65-T67 VanDerWaalsContact C-N 3.26Å; L65-T67 PolarHBondContact O-N 3.34Å; T67-G69 VanDerWaalsContact C-N 3.33Å; T67-G69 PolarHBondContact O-N 3.09Å; T67-A70 PolarHBondContact O-N 3.38Å; T67-A70 VanDerWaalsContact O-N 3.16Å; T67-Q75 HydrophobicContact CG2-CG 4.38Å; T67-Q75 PolarHBondContact OG1-NE2 2.68Å |
| 68 | K | 68.3 | Low | 83.7 | Confident | 172 Ų | 172 | 83.8 Ų | 83.8 | 75% | 0.748 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 90.5 | 176.4 | -80.8 | -178.6 | 176.3 | -178.9 | 0 | 110.1 | S64 L65 | S64-K68 PolarHBondContact O-N 3.47Å; L65-K68 PolarHBondContact O-N 3Å |
| 69 | G | 63.9 | Low | 83.5 | Confident | 88 Ų | 88 | 83.9 Ų | 83.9 | 91% | 0.907 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 120.9 | -4.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | T67 | T67-G69 VanDerWaalsContact C-N 3.33Å; T67-G69 PolarHBondContact O-N 3.09Å |
| 70 | A | 63.4 | Low | 83.3 | Confident | 46 Ų | 46 | 86 Ų | 86 | 38% | 0.38 | 45% | 0.445 | S | S | . | . | trans | -104.4 | 119.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | T67 S72 | T67-A70 PolarHBondContact O-N 3.38Å; T67-A70 VanDerWaalsContact O-N 3.16Å; A70-S72 PolarHBondContact O-N 3.42Å | ||
| 71 | D | 67.2 | Low | 83.3 | Confident | 176 Ų | 176 | 90.8 Ų | 90.8 | 94% | 0.941 | 47% | 0.466 | S | S | * | . | trans | -81.7 | 42.9 | -176.8 | -141 | 8.5 | 0 | 0 | 0 | 112.3 | ||||
| 72 | S | 80.4 | Confident | 83.4 | Confident | 52 Ų | 52 | 92 Ų | 92 | 36% | 0.364 | 47% | 0.472 | S | S | . | . | trans | -94.9 | 99.1 | -176.4 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | A70 E74 Q75 E76 | A70-S72 PolarHBondContact O-N 3.42Å; S72-E74 PolarHBondContact O-N 3.45Å; S72-Q75 PolarHBondContact O-N 3.4Å; S72-Q75 VanDerWaalsContact O-N 3.13Å; S72-E76 PolarHBondContact O-N 3.43Å | ||
| 73 | R | 83.6 | Confident | 83.5 | Confident | 222 Ų | 222 | 91.3 Ų | 91.3 | 84% | 0.838 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -55.4 | -34 | 176.6 | -70.7 | -175.1 | 177.4 | -177.4 | -0.6 | 113.5 | R77 | R73-R77 PolarHBondContact O-N 2.92Å |
| 74 | E | 85.4 | Confident | 83.9 | Confident | 96 Ų | 96 | 91.9 Ų | 91.9 | 45% | 0.449 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.7 | -40.1 | 179.5 | -176.4 | 55.1 | -151.1 | 0 | 0 | 111.2 | S72 E76 R77 Q78 | S72-E74 PolarHBondContact O-N 3.45Å; E74-E76 VanDerWaalsContact C-N 3.34Å; E74-E76 PolarHBondContact O-N 3.43Å; E74-R77 WeakPolarHBondContact O-CB 3.26Å; E74-R77 PolarHBondContact O-N 2.88Å; E74-Q78 WeakPolarHBondContact O-CG 3.48Å; E74-Q78 PolarHBondContact O-N 2.69Å; E74-Q78 PolarHBondContact OE1-NE2 3.4Å |
| 75 | Q | 84.1 | Confident | 84.3 | Confident | 71 Ų | 71 | 94 Ų | 94 | 33% | 0.332 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 177.8 | -170.5 | 168.9 | -40.1 | 0 | 0 | 111.6 | T67 S72 R77 Q78 L79 | T67-Q75 HydrophobicContact CG2-CG 4.38Å; T67-Q75 PolarHBondContact OG1-NE2 2.68Å; S72-Q75 PolarHBondContact O-N 3.4Å; S72-Q75 VanDerWaalsContact O-N 3.13Å; Q75-R77 VanDerWaalsContact C-N 3.33Å; Q75-R77 PolarHBondContact O-N 3.16Å; Q75-Q78 PolarHBondContact O-N 2.9Å; Q75-L79 WeakPolarHBondContact O-CB 3.35Å; Q75-L79 PolarHBondContact O-N 2.95Å |
| 76 | E | 87 | Confident | 84.8 | Confident | 91 Ų | 91 | 90.8 Ų | 90.8 | 43% | 0.425 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 173.8 | -164.3 | -164.7 | 154.5 | 0 | 0 | 111.9 | S72 E74 L79 K80 | S72-E76 PolarHBondContact O-N 3.43Å; E74-E76 VanDerWaalsContact C-N 3.34Å; E74-E76 PolarHBondContact O-N 3.43Å; E76-L79 PolarHBondContact O-N 3.08Å; E76-K80 WeakPolarHBondContact O-CG 3.33Å; E76-K80 PolarHBondContact O-N 2.63Å; E76-K80 WeakPolarHBondContact OE1-CE 3.33Å; E76-K80 IonicContact OE1-NZ 3.25Å; E76-K80 PolarHBondContact OE1-NZ 3.44Å |
| 77 | R | 89.1 | Confident | 85.5 | Confident | 149 Ų | 149 | 85 Ų | 85 | 56% | 0.562 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.3 | -42 | 176.6 | -172 | -176.8 | -177.1 | -170.9 | 3 | 111.9 | R73 E74 Q75 K80 K81 | R73-R77 PolarHBondContact O-N 2.92Å; E74-R77 WeakPolarHBondContact O-CB 3.26Å; E74-R77 PolarHBondContact O-N 2.88Å; Q75-R77 VanDerWaalsContact C-N 3.33Å; Q75-R77 PolarHBondContact O-N 3.16Å; R77-K80 PolarHBondContact O-N 3.43Å; R77-K81 PolarHBondContact O-N 3.44Å |
| 78 | Q | 90.3 | Very high | 86.5 | Confident | 81 Ų | 81 | 89.2 Ų | 89.2 | 38% | 0.379 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.4 | -41.5 | 176.8 | -64.2 | -60.6 | -30.7 | 0 | 0 | 111.4 | E74 Q75 K80 K81 L82 | E74-Q78 WeakPolarHBondContact O-CG 3.48Å; E74-Q78 PolarHBondContact O-N 2.69Å; E74-Q78 PolarHBondContact OE1-NE2 3.4Å; Q75-Q78 PolarHBondContact O-N 2.9Å; Q78-K80 VanDerWaalsContact C-N 3.35Å; Q78-K80 PolarHBondContact O-N 2.89Å; Q78-K81 WeakPolarHBondContact O-CB 3.29Å; Q78-K81 PolarHBondContact O-N 2.85Å; Q78-K81 VanDerWaalsContact O-N 3.15Å; Q78-L82 WeakPolarHBondContact O-CG 3.39Å; Q78-L82 PolarHBondContact O-N 3.24Å |
| 79 | L | 91.8 | Very high | 87.9 | Confident | 27 Ų | 27 | 82 Ų | 82 | 14% | 0.141 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 175.1 | -177.5 | 61.3 | 0 | 0 | 0 | 111.9 | I60 Q75 E76 K81 L82 I83 | I60-L79 HydrophobicContact CG2-CD1 4.01Å; Q75-L79 WeakPolarHBondContact O-CB 3.35Å; Q75-L79 PolarHBondContact O-N 2.95Å; E76-L79 PolarHBondContact O-N 3.08Å; L79-K81 VanDerWaalsContact C-N 3.31Å; L79-K81 PolarHBondContact O-N 3.42Å; L79-L82 PolarHBondContact O-N 2.91Å; L79-I83 HydrophobicContact CD1-CD1 4.31Å; L79-I83 HydrophobicContact CG-CD1 4Å; L79-I83 WeakPolarHBondContact O-CG1 3.5Å; L79-I83 PolarHBondContact O-N 3.39Å |
| 80 | K | 91.9 | Very high | 89.5 | Confident | 129 Ų | 129 | 77.8 Ų | 77.8 | 56% | 0.561 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.2 | -39.3 | 175.7 | -73.5 | 175.1 | -175.7 | 167.9 | 0 | 112.5 | E76 R77 Q78 I83 G84 | E76-K80 WeakPolarHBondContact O-CG 3.33Å; E76-K80 PolarHBondContact O-N 2.63Å; E76-K80 WeakPolarHBondContact OE1-CE 3.33Å; E76-K80 IonicContact OE1-NZ 3.25Å; E76-K80 PolarHBondContact OE1-NZ 3.44Å; R77-K80 PolarHBondContact O-N 3.43Å; Q78-K80 VanDerWaalsContact C-N 3.35Å; Q78-K80 PolarHBondContact O-N 2.89Å; K80-I83 PolarHBondContact O-N 3.41Å; K80-G84 PolarHBondContact O-N 3.45Å |
| 81 | K | 94.2 | Very high | 91.1 | Very high | 108 Ų | 108 | 75.6 Ų | 75.6 | 47% | 0.47 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 174.7 | -69.3 | 175.5 | -176.5 | 170.9 | 0 | 111.9 | R77 Q78 L79 G84 L85 | R77-K81 PolarHBondContact O-N 3.44Å; Q78-K81 WeakPolarHBondContact O-CB 3.29Å; Q78-K81 PolarHBondContact O-N 2.85Å; Q78-K81 VanDerWaalsContact O-N 3.15Å; L79-K81 VanDerWaalsContact C-N 3.31Å; L79-K81 PolarHBondContact O-N 3.42Å; K81-G84 PolarHBondContact O-N 2.93Å; K81-L85 WeakPolarHBondContact O-CB 3.39Å; K81-L85 PolarHBondContact O-N 3.28Å |
| 82 | L | 94.9 | Very high | 92.5 | Very high | 43 Ų | 43 | 67.3 Ų | 67.3 | 23% | 0.225 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 176.9 | -69.2 | 174 | 0 | 0 | 0 | 111.6 | L56 L59 I60 Q78 L79 L85 R86 | L56-L82 HydrophobicContact CD1-CB 4.32Å; L56-L82 HydrophobicContact CD1-CD2 3.79Å; L59-L82 HydrophobicContact CD2-CD1 4.42Å; I60-L82 HydrophobicContact CD1-CB 4.08Å; I60-L82 HydrophobicContact CG1-CB 3.76Å; Q78-L82 WeakPolarHBondContact O-CG 3.39Å; Q78-L82 PolarHBondContact O-N 3.24Å; L79-L82 PolarHBondContact O-N 2.91Å; L82-L85 PolarHBondContact O-N 2.82Å; L82-R86 WeakPolarHBondContact O-CB 3.47Å; L82-R86 PolarHBondContact O-N 3.42Å |
| 83 | I | 95 | Very high | 93.3 | Very high | 57 Ų | 57 | 66.3 Ų | 66.3 | 29% | 0.292 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 174.7 | -69.6 | 167.3 | 0 | 0 | 0 | 110.7 | I60 L79 K80 L85 R86 D87 | I60-I83 HydrophobicContact CD1-CG1 4.34Å; I60-I83 HydrophobicContact CG2-CG1 4.02Å; L79-I83 HydrophobicContact CD1-CD1 4.31Å; L79-I83 HydrophobicContact CG-CD1 4Å; L79-I83 WeakPolarHBondContact O-CG1 3.5Å; L79-I83 PolarHBondContact O-N 3.39Å; K80-I83 PolarHBondContact O-N 3.41Å; I83-L85 VanDerWaalsContact C-N 3.34Å; I83-L85 PolarHBondContact O-N 2.99Å; I83-R86 WeakPolarHBondContact O-CB 3.44Å; I83-R86 PolarHBondContact O-N 3.2Å; I83-D87 PolarHBondContact O-N 2.87Å |
| 84 | G | 96.1 | Very high | 94 | Very high | 40 Ų | 40 | 55.7 Ų | 55.7 | 41% | 0.412 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61 | -41.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K80 K81 D87 W88 | K80-G84 PolarHBondContact O-N 3.45Å; K81-G84 PolarHBondContact O-N 2.93Å; G84-D87 PolarHBondContact O-N 2.94Å; G84-W88 WeakPolarHBondContact O-CB 3.23Å; G84-W88 PolarHBondContact O-N 2.99Å |
| 85 | L | 97 | Very high | 94.6 | Very high | 82 Ų | 82 | 51.6 Ų | 51.6 | 43% | 0.429 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.4 | -44.8 | 174.7 | 177.4 | 63.6 | 0 | 0 | 0 | 111.5 | L56 K81 L82 I83 D87 W88 M89 | L56-L85 HydrophobicContact CD2-CB 4.28Å; L56-L85 HydrophobicContact CD2-CD2 3.97Å; L56-L85 HydrophobicContact CD2-CG 3.82Å; K81-L85 WeakPolarHBondContact O-CB 3.39Å; K81-L85 PolarHBondContact O-N 3.28Å; L82-L85 PolarHBondContact O-N 2.82Å; I83-L85 VanDerWaalsContact C-N 3.34Å; I83-L85 PolarHBondContact O-N 2.99Å; L85-D87 PolarHBondContact O-N 3.4Å; L85-W88 PolarHBondContact O-N 2.79Å; L85-M89 HydrophobicContact CD1-CG 4.06Å; L85-M89 HydrophobicContact CD1-SD 4.16Å; L85-M89 HydrophobicContact CG-CG 4.34Å; L85-M89 HydrophobicContact CG-SD 4.05Å; L85-M89 WeakPolarHBondContact O-CB 2.94Å; L85-M89 VanDerWaalsContact O-CG 3.28Å; L85-M89 WeakPolarHBondContact O-CG 3.4Å; L85-M89 PolarHBondContact O-N 3.21Å |
| 86 | R | 97.4 | Very high | 95.2 | Very high | 21 Ų | 21 | 48.2 Ų | 48.2 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.2 | -48.9 | 177.4 | 177.6 | -156.6 | 65.7 | -174.5 | 4.5 | 110.9 | F53 L56 I60 L82 I83 M89 M90 | F53-R86 HydrophobicContact CD2-CG 4.47Å; F53-R86 HydrophobicContact CE2-CG 3.76Å; F53-R86 HydrophobicContact CZ-CG 4.48Å; L56-R86 HydrophobicContact CD2-CB 3.78Å; L56-R86 HydrophobicContact CG-CB 4.11Å; I60-R86 HydrophobicContact CD1-CB 3.66Å; I60-R86 HydrophobicContact CD1-CG 4.15Å; L82-R86 WeakPolarHBondContact O-CB 3.47Å; L82-R86 PolarHBondContact O-N 3.42Å; I83-R86 WeakPolarHBondContact O-CB 3.44Å; I83-R86 PolarHBondContact O-N 3.2Å; R86-M89 PolarHBondContact O-N 3.43Å; R86-M90 WeakPolarHBondContact O-CB 3.18Å; R86-M90 PolarHBondContact O-N 2.99Å |
| 87 | D | 97.4 | Very high | 95.8 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 4% | 0.043 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.7 | -41.1 | -178.4 | -74 | 5.1 | 0 | 0 | 0 | 111.6 | I83 G84 L85 M90 A91 H150 S151 | I83-D87 PolarHBondContact O-N 2.87Å; G84-D87 PolarHBondContact O-N 2.94Å; L85-D87 PolarHBondContact O-N 3.4Å; D87-M90 PolarHBondContact O-N 2.81Å; D87-A91 WeakPolarHBondContact O-CB 3.36Å; D87-A91 PolarHBondContact O-N 3.37Å; D87-H150 IonicContact OD1-CE1 2.83Å; D87-H150 IonicContact OD1-CG 2.83Å; D87-H150 IonicContact OD1-ND1 3.51Å; D87-H150 PolarHBondContact OD1-ND1 2.95Å; D87-S151 PolarHBondContact OD2-N 3.03Å; D87-S151 PolarHBondContact OD2-OG 3.37Å |
| 88 | W | 97.5 | Very high | 96.2 | Very high | 114 Ų | 114 | 36.8 Ų | 36.8 | 43% | 0.432 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63 | -46.3 | 173.9 | -175.8 | 90 | 0 | 0 | 0 | 112 | G84 L85 M90 A91 V92 L93 A161 | G84-W88 WeakPolarHBondContact O-CB 3.23Å; G84-W88 PolarHBondContact O-N 2.99Å; L85-W88 PolarHBondContact O-N 2.79Å; W88-M90 VanDerWaalsContact C-N 3.35Å; W88-M90 PolarHBondContact O-N 3.5Å; W88-A91 PolarHBondContact O-N 3.11Å; W88-V92 HydrophobicContact CD2-CB 4.48Å; W88-V92 HydrophobicContact CD2-CG2 4.4Å; W88-V92 HydrophobicContact CH2-CG1 4.18Å; W88-V92 HydrophobicContact CZ2-CB 4.25Å; W88-V92 HydrophobicContact CZ2-CG1 3.94Å; W88-V92 HydrophobicContact CZ2-CG2 4.37Å; W88-V92 WeakPolarHBondContact O-CB 3.39Å; W88-V92 PolarHBondContact O-N 2.97Å; W88-L93 HydrophobicContact CH2-CD1 4.45Å; W88-L93 HydrophobicContact CZ3-CD1 3.92Å; W88-L93 HydrophobicContact CZ3-CG 4.36Å; W88-A161 HydrophobicContact CZ2-CB 4.41Å |
| 89 | M | 97.8 | Very high | 96.6 | Very high | 20 Ų | 20 | 33.2 Ų | 33.2 | 10% | 0.099 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 177.3 | -77.5 | -175.7 | 68.8 | 0 | 0 | 111.8 | V52 F53 L56 L85 R86 L93 A94 | V52-M89 HydrophobicContact CB-CE 4.47Å; V52-M89 HydrophobicContact CG1-CE 3.92Å; F53-M89 HydrophobicContact CB-CE 4.38Å; F53-M89 HydrophobicContact CD2-CB 4.26Å; L56-M89 HydrophobicContact CD2-SD 3.77Å; L85-M89 HydrophobicContact CD1-CG 4.06Å; L85-M89 HydrophobicContact CD1-SD 4.16Å; L85-M89 HydrophobicContact CG-CG 4.34Å; L85-M89 HydrophobicContact CG-SD 4.05Å; L85-M89 WeakPolarHBondContact O-CB 2.94Å; L85-M89 VanDerWaalsContact O-CG 3.28Å; L85-M89 WeakPolarHBondContact O-CG 3.4Å; L85-M89 PolarHBondContact O-N 3.21Å; R86-M89 PolarHBondContact O-N 3.43Å; M89-L93 CarbonylContact O-C 3.54Å; M89-L93 WeakPolarHBondContact O-CA 3.36Å; M89-L93 WeakPolarHBondContact O-CB 3.16Å; M89-L93 PolarHBondContact O-N 3.45Å; M89-A94 PolarHBondContact O-N 2.66Å |
| 90 | M | 97.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -57.1 | -52.9 | 175.2 | -179.8 | 59.3 | 168.8 | 0 | 0 | 110.9 | F53 R86 D87 W88 A94 F95 I141 M145 H150 | F53-M90 HydrophobicContact CE1-SD 3.98Å; F53-M90 HydrophobicContact CE2-CB 3.66Å; F53-M90 HydrophobicContact CE2-CG 4.35Å; F53-M90 HydrophobicContact CE2-SD 4.11Å; F53-M90 HydrophobicContact CZ-CB 3.99Å; F53-M90 HydrophobicContact CZ-CG 4.19Å; F53-M90 HydrophobicContact CZ-SD 3.52Å; F53-M90 VanDerWaalsContact CZ-SD 3.52Å; R86-M90 WeakPolarHBondContact O-CB 3.18Å; R86-M90 PolarHBondContact O-N 2.99Å; D87-M90 PolarHBondContact O-N 2.81Å; W88-M90 VanDerWaalsContact C-N 3.35Å; W88-M90 PolarHBondContact O-N 3.5Å; M90-A94 HydrophobicContact SD-CB 4.48Å; M90-F95 VanDerWaalsContact O-CB 3.31Å; M90-F95 WeakPolarHBondContact O-CB 3.36Å; M90-F95 PolarHBondContact O-N 2.64Å; M90-F95 HydrophobicContact SD-CB 4.4Å; M90-I141 HydrophobicContact CE-CD1 3.84Å; M90-I141 HydrophobicContact CE-CG1 3.74Å; M90-I141 HydrophobicContact SD-CD1 3.35Å; M90-I141 WeakPolarHBondContact SD-CD1 3.49Å; M90-I141 HydrophobicContact SD-CG1 3.71Å; M90-M145 HydrophobicContact CE-CB 3.73Å; M90-M145 HydrophobicContact CE-CE 3.71Å; M90-M145 HydrophobicContact CE-CG 4.25Å; M90-H150 HydrophobicContact CG-CB 4.15Å |
| 91 | A | 96.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | I | π-helix | trans | -69.2 | -40 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D87 W88 P96 Y152 Y211 | D87-A91 WeakPolarHBondContact O-CB 3.36Å; D87-A91 PolarHBondContact O-N 3.37Å; W88-A91 PolarHBondContact O-N 3.11Å; A91-P96 VanDerWaalsContact O-CD 3.28Å; A91-P96 WeakPolarHBondContact O-CD 3.48Å; A91-P96 WeakPolarHBondContact O-CG 3.24Å; A91-Y152 HydrophobicContact CB-CD1 3.54Å; A91-Y152 HydrophobicContact CB-CD2 4.15Å; A91-Y152 HydrophobicContact CB-CE1 3.58Å; A91-Y152 HydrophobicContact CB-CE2 4.19Å; A91-Y152 HydrophobicContact CB-CG 3.83Å; A91-Y211 VanDerWaalsContact O-CD2 3.25Å; A91-Y211 WeakPolarHBondContact O-CD2 3.48Å |
| 92 | V | 96.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.012 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -101.1 | -26.6 | -168.8 | 177.6 | 0 | 0 | 0 | 0 | 113 | W88 P96 P153 A161 V162 | W88-V92 HydrophobicContact CD2-CB 4.48Å; W88-V92 HydrophobicContact CD2-CG2 4.4Å; W88-V92 HydrophobicContact CH2-CG1 4.18Å; W88-V92 HydrophobicContact CZ2-CB 4.25Å; W88-V92 HydrophobicContact CZ2-CG1 3.94Å; W88-V92 HydrophobicContact CZ2-CG2 4.37Å; W88-V92 WeakPolarHBondContact O-CB 3.39Å; W88-V92 PolarHBondContact O-N 2.97Å; V92-P96 VanDerWaalsContact C-CG 3.45Å; V92-P96 VanDerWaalsContact O-CG 3.25Å; V92-P96 WeakPolarHBondContact O-CG 3.26Å; V92-P153 HydrophobicContact CG2-CG 4.11Å; V92-A161 HydrophobicContact CG1-CB 3.41Å; V92-A161 VanDerWaalsContact CG1-CB 3.41Å; V92-A161 HydrophobicContact CG2-CB 4.4Å; V92-V162 HydrophobicContact CG1-CG2 4.12Å; V92-V162 WeakPolarHBondContact O-CG2 3.22Å |
| 93 | L | 97.4 | Very high | 97.6 | Very high | 31 Ų | 31 | 25.2 Ų | 25.2 | 16% | 0.162 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -119.1 | -69 | -175.5 | -61 | 175.6 | 0 | 0 | 0 | 111.3 | I49 W88 M89 F95 V97 F165 | I49-L93 HydrophobicContact CG2-CB 3.85Å; W88-L93 HydrophobicContact CH2-CD1 4.45Å; W88-L93 HydrophobicContact CZ3-CD1 3.92Å; W88-L93 HydrophobicContact CZ3-CG 4.36Å; M89-L93 CarbonylContact O-C 3.54Å; M89-L93 WeakPolarHBondContact O-CA 3.36Å; M89-L93 WeakPolarHBondContact O-CB 3.16Å; M89-L93 PolarHBondContact O-N 3.45Å; L93-F95 PolarHBondContact O-N 3.25Å; L93-V97 WeakPolarHBondContact O-CB 3.48Å; L93-V97 WeakPolarHBondContact O-CG2 3.39Å; L93-V97 PolarHBondContact O-N 3.12Å; L93-F165 HydrophobicContact CD2-CD2 3.81Å; L93-F165 HydrophobicContact CD2-CE2 4.23Å; L93-F165 HydrophobicContact CD2-CG 4.17Å |
| 94 | A | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | I | π-helix | trans | -62.1 | -46.7 | -165.6 | 0 | 0 | 0 | 0 | 0 | 113 | I49 Q50 F53 M89 M90 G98 I141 | I49-A94 HydrophobicContact CG2-CB 4.21Å; Q50-A94 PolarHBondContact NE2-O 3Å; F53-A94 HydrophobicContact CB-CB 4.14Å; F53-A94 HydrophobicContact CD1-CB 4.09Å; F53-A94 HydrophobicContact CD2-CB 4.26Å; F53-A94 HydrophobicContact CG-CB 3.88Å; M89-A94 PolarHBondContact O-N 2.66Å; M90-A94 HydrophobicContact SD-CB 4.48Å; A94-G98 PolarHBondContact O-N 3.09Å; A94-I141 HydrophobicContact CB-CD1 3.88Å; A94-I141 HydrophobicContact CB-CG1 4.48Å |
| 95 | F | 98.4 | Very high | 97.8 | Very high | 9 Ų | 9 | 22 Ų | 22 | 4% | 0.039 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -71.7 | -59.3 | 178 | -173.8 | -88 | 0 | 0 | 0 | 113.4 | M90 L93 V97 G98 A99 I141 M145 M210 G214 L217 | M90-F95 VanDerWaalsContact O-CB 3.31Å; M90-F95 WeakPolarHBondContact O-CB 3.36Å; M90-F95 PolarHBondContact O-N 2.64Å; M90-F95 HydrophobicContact SD-CB 4.4Å; L93-F95 PolarHBondContact O-N 3.25Å; F95-V97 PolarHBondContact O-N 2.89Å; F95-G98 PolarHBondContact O-N 3Å; F95-A99 HydrophobicContact CE1-CB 4.32Å; F95-A99 VanDerWaalsContact O-CB 3.28Å; F95-A99 WeakPolarHBondContact O-CB 3.49Å; F95-A99 PolarHBondContact O-N 2.98Å; F95-I141 HydrophobicContact CB-CG1 4.34Å; F95-I141 HydrophobicContact CD2-CG1 4.3Å; F95-I141 HydrophobicContact CD2-CG2 3.85Å; F95-I141 HydrophobicContact CE2-CG2 4.31Å; F95-M145 HydrophobicContact CB-CE 4.48Å; F95-M145 HydrophobicContact CD2-CE 3.23Å; F95-M145 HydrophobicContact CE2-CE 3.43Å; F95-M145 VanDerWaalsContact CE2-CE 3.43Å; F95-M145 HydrophobicContact CG-CE 3.84Å; F95-M145 HydrophobicContact CZ-CE 4.21Å; F95-M210 WeakPolarHBondContact CE1-O 3.18Å; F95-G214 VanDerWaalsContact CD1-CA 3.43Å; F95-G214 VanDerWaalsContact CE1-N 3.33Å; F95-L217 HydrophobicContact CE2-CD2 4.22Å; F95-L217 HydrophobicContact CZ-CD2 4.22Å |
| 96 | P | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.6 | -38.6 | -173.2 | 24.6 | -35 | 0 | 0 | 0 | 112.8 | A91 V92 F100 V162 I207 M210 | A91-P96 VanDerWaalsContact O-CD 3.28Å; A91-P96 WeakPolarHBondContact O-CD 3.48Å; A91-P96 WeakPolarHBondContact O-CG 3.24Å; V92-P96 VanDerWaalsContact C-CG 3.45Å; V92-P96 VanDerWaalsContact O-CG 3.25Å; V92-P96 WeakPolarHBondContact O-CG 3.26Å; P96-F100 WeakPolarHBondContact O-CB 3.44Å; P96-F100 PolarHBondContact O-N 2.91Å; P96-V162 HydrophobicContact CB-CG2 4.35Å; P96-V162 HydrophobicContact CG-CG2 3.99Å; P96-I207 HydrophobicContact CB-CG1 4.35Å; P96-M210 HydrophobicContact CB-CB 4.41Å |
| 97 | V | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.006 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -70.4 | -45.8 | 177.9 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | L42 D46 L93 F95 F100 V101 F165 I207 | L42-V97 HydrophobicContact CD1-CG1 4.27Å; D46-V97 HydrophobicContact CB-CG1 3.99Å; L93-V97 WeakPolarHBondContact O-CB 3.48Å; L93-V97 WeakPolarHBondContact O-CG2 3.39Å; L93-V97 PolarHBondContact O-N 3.12Å; F95-V97 PolarHBondContact O-N 2.89Å; V97-F100 WeakPolarHBondContact O-CB 3.46Å; V97-F100 PolarHBondContact O-N 3.13Å; V97-V101 HydrophobicContact CG1-CG2 4.34Å; V97-V101 WeakPolarHBondContact O-CG2 3.46Å; V97-V101 PolarHBondContact O-N 3.37Å; V97-F165 HydrophobicContact CB-CE1 4.43Å; V97-F165 HydrophobicContact CG1-CE1 4.06Å; V97-F165 HydrophobicContact CG1-CZ 4.32Å; V97-F165 HydrophobicContact CG2-CD1 3.81Å; V97-F165 HydrophobicContact CG2-CE1 3.42Å; V97-F165 VanDerWaalsContact CG2-CE1 3.42Å; V97-F165 HydrophobicContact CG2-CZ 3.97Å; V97-I207 HydrophobicContact CG2-CD1 4.21Å |
| 98 | G | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.8 | -45.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D46 A94 F95 F100 V101 V102 | D46-G98 WeakPolarHBondContact OD1-CA 3.27Å; D46-G98 PolarHBondContact OD1-N 3.28Å; A94-G98 PolarHBondContact O-N 3.09Å; F95-G98 PolarHBondContact O-N 3Å; G98-F100 VanDerWaalsContact C-N 3.33Å; G98-F100 PolarHBondContact O-N 3.39Å; G98-V101 PolarHBondContact O-N 3.48Å; G98-V102 WeakPolarHBondContact O-CG2 3.47Å; G98-V102 PolarHBondContact O-N 3.1Å; G98-V102 VanDerWaalsContact O-N 3.08Å |
| 99 | A | 98.6 | Very high | 97.9 | Very high | 6 Ų | 6 | 20.9 Ų | 20.9 | 5% | 0.05 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.6 | -41 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F95 F103 L138 M210 | F95-A99 HydrophobicContact CE1-CB 4.32Å; F95-A99 VanDerWaalsContact O-CB 3.28Å; F95-A99 WeakPolarHBondContact O-CB 3.49Å; F95-A99 PolarHBondContact O-N 2.98Å; A99-F103 WeakPolarHBondContact O-CB 3.31Å; A99-F103 PolarHBondContact O-N 2.91Å; A99-L138 HydrophobicContact CB-CD1 4.06Å; A99-M210 HydrophobicContact CB-CB 4.28Å; A99-M210 HydrophobicContact CB-CG 4.23Å; A99-M210 HydrophobicContact CB-SD 4.01Å |
| 100 | F | 98.5 | Very high | 97.9 | Very high | 20 Ų | 20 | 26.5 Ų | 26.5 | 9% | 0.088 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.3 | -47.9 | 176.9 | 175.2 | -90.1 | 0 | 0 | 0 | 112.3 | L42 P96 V97 G98 F103 T104 M203 V206 I207 M210 | L42-F100 HydrophobicContact CD2-CD1 3.77Å; L42-F100 HydrophobicContact CD2-CE1 3.62Å; P96-F100 WeakPolarHBondContact O-CB 3.44Å; P96-F100 PolarHBondContact O-N 2.91Å; V97-F100 WeakPolarHBondContact O-CB 3.46Å; V97-F100 PolarHBondContact O-N 3.13Å; G98-F100 VanDerWaalsContact C-N 3.33Å; G98-F100 PolarHBondContact O-N 3.39Å; F100-F103 PolarHBondContact O-N 3.22Å; F100-T104 HydrophobicContact CD1-CG2 4.4Å; F100-T104 HydrophobicContact CD2-CG2 3.95Å; F100-T104 HydrophobicContact CE1-CG2 4.09Å; F100-T104 HydrophobicContact CE2-CG2 3.6Å; F100-T104 HydrophobicContact CG-CG2 4.33Å; F100-T104 HydrophobicContact CZ-CG2 3.68Å; F100-T104 WeakPolarHBondContact O-CB 3.31Å; F100-T104 WeakPolarHBondContact O-CG2 3.31Å; F100-T104 PolarHBondContact O-N 2.87Å; F100-T104 PolarHBondContact O-OG1 2.92Å; F100-M203 HydrophobicContact CE2-CB 4.17Å; F100-M203 WeakPolarHBondContact CE2-O 3.45Å; F100-M203 HydrophobicContact CE2-SD 4.04Å; F100-M203 HydrophobicContact CZ-CB 3.96Å; F100-M203 HydrophobicContact CZ-CG 4.29Å; F100-M203 HydrophobicContact CZ-SD 3.84Å; F100-V206 HydrophobicContact CD2-CB 4.25Å; F100-V206 HydrophobicContact CD2-CG1 3.81Å; F100-V206 HydrophobicContact CE2-CB 4.08Å; F100-V206 HydrophobicContact CE2-CG1 4.01Å; F100-I207 HydrophobicContact CB-CB 4.46Å; F100-I207 HydrophobicContact CB-CG1 4.12Å; F100-I207 HydrophobicContact CD2-CB 3.7Å; F100-I207 HydrophobicContact CD2-CG1 4.25Å; F100-I207 HydrophobicContact CE2-CB 4.21Å; F100-I207 HydrophobicContact CG-CB 4.18Å; F100-I207 HydrophobicContact CG-CD1 4.49Å; F100-I207 HydrophobicContact CG-CG1 4.23Å; F100-M210 HydrophobicContact CB-CG 4.33Å |
| 101 | V | 98.2 | Very high | 97.8 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.9 | -49.7 | 178.8 | 167.1 | 0 | 0 | 0 | 0 | 110.3 | L42 T43 D46 V97 G98 T104 F105 | L42-V101 HydrophobicContact CB-CG2 4.5Å; L42-V101 HydrophobicContact CD2-CG2 3.92Å; L42-V101 HydrophobicContact CG-CG2 3.8Å; T43-V101 HydrophobicContact CG2-CG1 4.33Å; D46-V101 HydrophobicContact CB-CG2 3.98Å; V97-V101 HydrophobicContact CG1-CG2 4.34Å; V97-V101 WeakPolarHBondContact O-CG2 3.46Å; V97-V101 PolarHBondContact O-N 3.37Å; G98-V101 PolarHBondContact O-N 3.48Å; V101-T104 PolarHBondContact O-OG1 3.43Å; V101-F105 WeakPolarHBondContact O-CB 3.37Å; V101-F105 PolarHBondContact O-N 3.02Å |
| 102 | V | 98.5 | Very high | 97.8 | Very high | 15 Ų | 15 | 38.3 Ų | 38.3 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.1 | -50.8 | 179.2 | 173.9 | 0 | 0 | 0 | 0 | 110.4 | G98 W106 H134 V137 L138 | G98-V102 WeakPolarHBondContact O-CG2 3.47Å; G98-V102 PolarHBondContact O-N 3.1Å; G98-V102 VanDerWaalsContact O-N 3.08Å; V102-W106 PolarHBondContact O-N 3.03Å; V102-W106 VanDerWaalsContact O-N 3.12Å; V102-H134 VanDerWaalsContact CG2-O 3.31Å; V102-H134 WeakPolarHBondContact CG2-O 3.35Å; V102-V137 HydrophobicContact CG2-CB 4.07Å; V102-L138 HydrophobicContact CB-CB 4.34Å; V102-L138 HydrophobicContact CG1-CB 4.16Å; V102-L138 HydrophobicContact CG1-CD2 4.16Å; V102-L138 HydrophobicContact CG2-CB 3.95Å |
| 103 | F | 98.4 | Very high | 97.8 | Very high | 100 Ų | 100 | 40 Ų | 40 | 44% | 0.439 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.3 | -52.1 | -177.6 | 175.5 | -102.3 | 0 | 0 | 0 | 112.1 | A99 F100 T107 V206 M210 | A99-F103 WeakPolarHBondContact O-CB 3.31Å; A99-F103 PolarHBondContact O-N 2.91Å; F100-F103 PolarHBondContact O-N 3.22Å; F103-T107 VanDerWaalsContact O-CB 3.23Å; F103-T107 WeakPolarHBondContact O-CB 3.41Å; F103-T107 PolarHBondContact O-N 3.4Å; F103-T107 PolarHBondContact O-OG1 3.36Å; F103-V206 HydrophobicContact CD1-CG1 3.88Å; F103-V206 HydrophobicContact CE1-CG1 3.99Å; F103-M210 HydrophobicContact CD1-CE 4.18Å; F103-M210 HydrophobicContact CG-CE 4.18Å |
| 104 | T | 97.8 | Very high | 97.8 | Very high | 22 Ų | 22 | 40.9 Ų | 40.9 | 14% | 0.135 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.4 | -40.7 | -176.1 | 55.5 | 0 | 0 | 0 | 0 | 112.1 | F100 V101 L108 M203 | F100-T104 HydrophobicContact CD1-CG2 4.4Å; F100-T104 HydrophobicContact CD2-CG2 3.95Å; F100-T104 HydrophobicContact CE1-CG2 4.09Å; F100-T104 HydrophobicContact CE2-CG2 3.6Å; F100-T104 HydrophobicContact CG-CG2 4.33Å; F100-T104 HydrophobicContact CZ-CG2 3.68Å; F100-T104 WeakPolarHBondContact O-CB 3.31Å; F100-T104 WeakPolarHBondContact O-CG2 3.31Å; F100-T104 PolarHBondContact O-N 2.87Å; F100-T104 PolarHBondContact O-OG1 2.92Å; V101-T104 PolarHBondContact O-OG1 3.43Å; T104-L108 WeakPolarHBondContact O-CB 3.36Å; T104-L108 WeakPolarHBondContact O-CG 3.35Å; T104-L108 PolarHBondContact O-N 3.41Å; T104-M203 HydrophobicContact CG2-SD 3.84Å |
| 105 | F | 98.2 | Very high | 97.6 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.3 | -56 | 177.2 | 178 | -93.3 | 0 | 0 | 0 | 111 | V101 T107 L108 Y109 V116 Y117 N130 H134 | V101-F105 WeakPolarHBondContact O-CB 3.37Å; V101-F105 PolarHBondContact O-N 3.02Å; F105-T107 VanDerWaalsContact C-N 3.34Å; F105-T107 PolarHBondContact O-N 2.92Å; F105-L108 PolarHBondContact O-N 3.03Å; F105-Y109 AromaticContact CE1-CD2 3.9Å; F105-Y109 HydrophobicContact CE1-CD2 3.9Å; F105-Y109 HydrophobicContact CE1-CG 4.29Å; F105-Y109 HydrophobicContact CE2-CD2 4.47Å; F105-Y109 AromaticContact CZ-CD2 3.71Å; F105-Y109 HydrophobicContact CZ-CD2 3.71Å; F105-Y109 HydrophobicContact CZ-CE2 4.3Å; F105-Y109 WeakPolarHBondContact O-CB 3.45Å; F105-Y109 PolarHBondContact O-N 3.45Å; F105-V116 HydrophobicContact CD2-CG1 4.29Å; F105-V116 HydrophobicContact CD2-CG2 4.02Å; F105-V116 HydrophobicContact CE2-CG1 4.43Å; F105-Y117 HydrophobicContact CE2-CD2 4.15Å; F105-Y117 HydrophobicContact CE2-CG 4.18Å; F105-Y117 HydrophobicContact CZ-CD2 4.3Å; F105-Y117 HydrophobicContact CZ-CG 4.19Å; F105-N130 WeakPolarHBondContact CZ-OD1 3.46Å; F105-H134 HydrophobicContact CB-CB 4.5Å; F105-H134 HydrophobicContact CD1-CB 3.43Å; F105-H134 VanDerWaalsContact CD1-CB 3.43Å; F105-H134 AromaticContact CD1-CD2 3.83Å; F105-H134 AromaticContact CD1-CG 3.58Å; F105-H134 HydrophobicContact CD2-CB 4.47Å; F105-H134 AromaticContact CD2-CD2 3.25Å; F105-H134 WeakPolarHBondContact CD2-CD2 3.47Å; F105-H134 AromaticContact CD2-CE1 3.88Å; F105-H134 AromaticContact CD2-CG 3.74Å; F105-H134 AromaticContact CD2-NE2 3.37Å; F105-H134 WeakPolarHBondContact CD2-NE2 3.33Å; F105-H134 HydrophobicContact CE1-CB 3.62Å; F105-H134 AromaticContact CE1-CG 3.61Å; F105-H134 AromaticContact CE1-ND1 3.83Å; F105-H134 AromaticContact CE2-CD2 3.61Å; F105-H134 AromaticContact CE2-CE1 3.43Å; F105-H134 VanDerWaalsContact CE2-CE1 3.43Å; F105-H134 WeakPolarHBondContact CE2-CE1 3.06Å; F105-H134 AromaticContact CE2-CG 3.75Å; F105-H134 AromaticContact CE2-ND1 3.66Å; F105-H134 AromaticContact CE2-NE2 3.41Å; F105-H134 WeakPolarHBondContact CE2-NE2 3.44Å; F105-H134 HydrophobicContact CG-CB 3.89Å; F105-H134 AromaticContact CG-CD2 3.35Å; F105-H134 WeakPolarHBondContact CG-CD2 3.36Å; F105-H134 AromaticContact CG-CG 3.64Å; F105-H134 AromaticContact CG-NE2 4Å; F105-H134 HydrophobicContact CZ-CB 4.21Å; F105-H134 AromaticContact CZ-CE1 3.74Å; F105-H134 AromaticContact CZ-CG 3.69Å; F105-H134 AromaticContact CZ-ND1 3.51Å |
| 106 | W | 98.2 | Very high | 97.5 | Very high | 52 Ų | 52 | 42.6 Ų | 42.6 | 20% | 0.197 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.6 | -34 | -176.4 | -70.8 | 110.5 | 0 | 0 | 0 | 112.5 | V102 Y109 L110 H131 H134 T135 | V102-W106 PolarHBondContact O-N 3.03Å; V102-W106 VanDerWaalsContact O-N 3.12Å; W106-Y109 HydrophobicContact CE3-CD1 4.14Å; W106-Y109 HydrophobicContact CE3-CG 4.26Å; W106-Y109 AromaticContact CZ3-CD1 3.99Å; W106-Y109 HydrophobicContact CZ3-CD1 3.99Å; W106-Y109 HydrophobicContact CZ3-CE1 4.23Å; W106-Y109 HydrophobicContact CZ3-CG 4.25Å; W106-Y109 PolarHBondContact O-N 3.28Å; W106-L110 VanDerWaalsContact O-CB 3.28Å; W106-L110 WeakPolarHBondContact O-CB 3.48Å; W106-L110 WeakPolarHBondContact O-CG 3.29Å; W106-L110 PolarHBondContact O-N 3.23Å; W106-H131 AromaticContact CH2-CE1 3.47Å; W106-H131 VanDerWaalsContact CH2-CE1 3.47Å; W106-H131 WeakPolarHBondContact CH2-CE1 3.37Å; W106-H131 AromaticContact CH2-ND1 3.75Å; W106-H131 AromaticContact CZ2-CE1 3.82Å; W106-H131 AromaticContact CZ2-ND1 3.63Å; W106-H134 HydrophobicContact CZ2-CB 4.21Å; W106-H134 PolarHBondContact NE1-O 3.32Å; W106-T135 WeakPolarHBondContact CZ2-OG1 3.35Å; W106-T135 PolarHBondContact NE1-OG1 3.41Å |
| 107 | T | 97.8 | Very high | 97.3 | Very high | 71 Ų | 71 | 42.8 Ų | 42.8 | 44% | 0.436 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.7 | -50.4 | 174.4 | -60 | 0 | 0 | 0 | 0 | 111.1 | F103 F105 Y111 | F103-T107 VanDerWaalsContact O-CB 3.23Å; F103-T107 WeakPolarHBondContact O-CB 3.41Å; F103-T107 PolarHBondContact O-N 3.4Å; F103-T107 PolarHBondContact O-OG1 3.36Å; F105-T107 VanDerWaalsContact C-N 3.34Å; F105-T107 PolarHBondContact O-N 2.92Å; T107-Y111 WeakPolarHBondContact O-CB 3.27Å; T107-Y111 PolarHBondContact O-N 2.91Å; T107-Y111 VanDerWaalsContact O-N 3.12Å |
| 108 | L | 96.7 | Very high | 97.1 | Very high | 33 Ų | 33 | 44.2 Ų | 44.2 | 17% | 0.173 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.7 | -40.1 | 178.4 | -69.9 | 174.2 | 0 | 0 | 0 | 111.7 | T104 F105 L110 Y111 D112 L115 V116 | T104-L108 WeakPolarHBondContact O-CB 3.36Å; T104-L108 WeakPolarHBondContact O-CG 3.35Å; T104-L108 PolarHBondContact O-N 3.41Å; F105-L108 PolarHBondContact O-N 3.03Å; L108-L110 PolarHBondContact O-N 2.99Å; L108-Y111 PolarHBondContact O-N 3.14Å; L108-D112 CarbonylContact O-C 3.58Å; L108-D112 PolarHBondContact O-N 3.39Å; L108-L115 HydrophobicContact CD2-CD1 4.33Å; L108-V116 HydrophobicContact CB-CB 4.11Å; L108-V116 HydrophobicContact CB-CG1 3.77Å; L108-V116 HydrophobicContact CD1-CB 4.24Å |
| 109 | Y | 97.1 | Very high | 96.9 | Very high | 46 Ų | 46 | 50.7 Ų | 50.7 | 18% | 0.18 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59 | -45.6 | 178.7 | -172.4 | -78.4 | 0 | 0 | 0 | 111.9 | F105 W106 R113 Y117 | F105-Y109 AromaticContact CE1-CD2 3.9Å; F105-Y109 HydrophobicContact CE1-CD2 3.9Å; F105-Y109 HydrophobicContact CE1-CG 4.29Å; F105-Y109 HydrophobicContact CE2-CD2 4.47Å; F105-Y109 AromaticContact CZ-CD2 3.71Å; F105-Y109 HydrophobicContact CZ-CD2 3.71Å; F105-Y109 HydrophobicContact CZ-CE2 4.3Å; F105-Y109 WeakPolarHBondContact O-CB 3.45Å; F105-Y109 PolarHBondContact O-N 3.45Å; W106-Y109 HydrophobicContact CE3-CD1 4.14Å; W106-Y109 HydrophobicContact CE3-CG 4.26Å; W106-Y109 AromaticContact CZ3-CD1 3.99Å; W106-Y109 HydrophobicContact CZ3-CD1 3.99Å; W106-Y109 HydrophobicContact CZ3-CE1 4.23Å; W106-Y109 HydrophobicContact CZ3-CG 4.25Å; W106-Y109 PolarHBondContact O-N 3.28Å; Y109-R113 HydrophobicContact CD1-CB 4.45Å; Y109-R113 HydrophobicContact CD2-CB 3.9Å; Y109-R113 HydrophobicContact CE2-CB 4.06Å; Y109-R113 HydrophobicContact CG-CB 4.1Å; Y109-R113 PolarHBondContact O-N 3.47Å; Y109-Y117 HydrophobicContact CD2-CD1 4.17Å; Y109-Y117 HydrophobicContact CD2-CG 4.41Å; Y109-Y117 AromaticContact CE2-CD1 3.58Å; Y109-Y117 HydrophobicContact CE2-CD1 3.58Å; Y109-Y117 HydrophobicContact CE2-CE1 4.24Å; Y109-Y117 HydrophobicContact CE2-CG 4.24Å |
| 110 | L | 97.4 | Very high | 96.6 | Very high | 139 Ų | 139 | 55.9 Ų | 55.9 | 73% | 0.728 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -73.2 | -31.5 | 179.7 | -68.9 | 171.2 | 0 | 0 | 0 | 112.6 | W106 L108 | W106-L110 VanDerWaalsContact O-CB 3.28Å; W106-L110 WeakPolarHBondContact O-CB 3.48Å; W106-L110 WeakPolarHBondContact O-CG 3.29Å; W106-L110 PolarHBondContact O-N 3.23Å; L108-L110 PolarHBondContact O-N 2.99Å |
| 111 | Y | 96.8 | Very high | 96.2 | Very high | 194 Ų | 194 | 57 Ų | 57 | 76% | 0.761 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -73.8 | -57.9 | 176.8 | 178.9 | -98.6 | 0 | 0 | 0 | 112.2 | T107 L108 L115 | T107-Y111 WeakPolarHBondContact O-CB 3.27Å; T107-Y111 PolarHBondContact O-N 2.91Å; T107-Y111 VanDerWaalsContact O-N 3.12Å; L108-Y111 PolarHBondContact O-N 3.14Å; Y111-L115 HydrophobicContact CD1-CD1 3.85Å; Y111-L115 HydrophobicContact CE1-CD1 4.16Å |
| 112 | D | 96.9 | Very high | 96 | Very high | 53 Ų | 53 | 59.6 Ų | 59.6 | 28% | 0.283 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -157.7 | 102.9 | 170.5 | 173 | 12.8 | 0 | 0 | 0 | 108.3 | L108 E114 L115 R190 | L108-D112 CarbonylContact O-C 3.58Å; L108-D112 PolarHBondContact O-N 3.39Å; D112-E114 PolarHBondContact O-N 3.21Å; D112-E114 WeakPolarHBondContact OD1-CB 3.42Å; D112-E114 PolarHBondContact OD1-N 2.88Å; D112-L115 HydrophobicContact CB-CD1 3.95Å; D112-L115 HydrophobicContact CB-CG 3.99Å; D112-L115 VanDerWaalsContact O-CB 3.27Å; D112-L115 WeakPolarHBondContact O-CB 3.39Å; D112-L115 WeakPolarHBondContact O-CG 3.42Å; D112-L115 PolarHBondContact O-N 3.45Å; D112-R190 IonicContact OD2-NH1 2.74Å; D112-R190 PolarHBondContact OD2-NH1 2.96Å |
| 113 | R | 95.8 | Very high | 95.7 | Very high | 37 Ų | 37 | 65 Ų | 65 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -56.1 | -26.5 | -179 | 67.4 | 171 | -72.4 | -175.7 | -4.7 | 114.1 | Y109 L115 V116 Y117 P118 D122 | Y109-R113 HydrophobicContact CD1-CB 4.45Å; Y109-R113 HydrophobicContact CD2-CB 3.9Å; Y109-R113 HydrophobicContact CE2-CB 4.06Å; Y109-R113 HydrophobicContact CG-CB 4.1Å; Y109-R113 PolarHBondContact O-N 3.47Å; R113-L115 PolarHBondContact O-N 3.48Å; R113-V116 PolarHBondContact O-N 3.23Å; R113-V116 VanDerWaalsContact O-N 3.17Å; R113-Y117 PolarHBondContact NE-O 2.94Å; R113-Y117 PolarHBondContact NH2-O 3.31Å; R113-Y117 CarbonylContact O-C 3.07Å; R113-Y117 WeakPolarHBondContact O-CA 3.24Å; R113-Y117 PolarHBondContact O-N 3.34Å; R113-Y117 VanDerWaalsContact O-O 3.04Å; R113-P118 PolarHBondContact NH2-O 3.48Å; R113-D122 IonicContact CZ-OD1 2.97Å; R113-D122 IonicContact CZ-OD2 3.64Å; R113-D122 VanDerWaalsContact CZ-OD2 3.28Å; R113-D122 IonicContact NH1-OD1 3.28Å; R113-D122 IonicContact NH1-OD2 3.57Å; R113-D122 PolarHBondContact NH1-OD2 3.07Å; R113-D122 IonicContact NH2-OD1 3.72Å; R113-D122 PolarHBondContact NH2-OD1 3.38Å; R113-D122 IonicContact NH2-OD2 3.65Å; R113-D122 PolarHBondContact NH2-OD2 3.01Å |
| 114 | E | 96.8 | Very high | 95.5 | Very high | 50 Ų | 50 | 63.4 Ų | 63.4 | 23% | 0.234 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -65.3 | -12.5 | 179.3 | -63.9 | -66 | 148.6 | 0 | 0 | 112.9 | D112 P118 K119 P186 R190 | D112-E114 PolarHBondContact O-N 3.21Å; D112-E114 WeakPolarHBondContact OD1-CB 3.42Å; D112-E114 PolarHBondContact OD1-N 2.88Å; E114-P118 WeakPolarHBondContact OE2-CA 3.44Å; E114-P118 WeakPolarHBondContact OE2-CB 3.38Å; E114-K119 WeakPolarHBondContact OE1-CB 3.48Å; E114-K119 WeakPolarHBondContact OE1-CD 3.2Å; E114-K119 WeakPolarHBondContact OE1-CG 3.48Å; E114-K119 PolarHBondContact OE1-N 2.96Å; E114-P186 VanDerWaalsContact O-CB 3.24Å; E114-P186 WeakPolarHBondContact O-CB 3.35Å; E114-R190 VanDerWaalsContact CB-NH2 3.32Å |
| 115 | L | 95.7 | Very high | 95.3 | Very high | 18 Ų | 18 | 62.8 Ų | 62.8 | 9% | 0.094 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -76.2 | -25.7 | 176.3 | -63.9 | 178.6 | 0 | 0 | 0 | 114.1 | L108 Y111 D112 R113 P186 V187 | L108-L115 HydrophobicContact CD2-CD1 4.33Å; Y111-L115 HydrophobicContact CD1-CD1 3.85Å; Y111-L115 HydrophobicContact CE1-CD1 4.16Å; D112-L115 HydrophobicContact CB-CD1 3.95Å; D112-L115 HydrophobicContact CB-CG 3.99Å; D112-L115 VanDerWaalsContact O-CB 3.27Å; D112-L115 WeakPolarHBondContact O-CB 3.39Å; D112-L115 WeakPolarHBondContact O-CG 3.42Å; D112-L115 PolarHBondContact O-N 3.45Å; R113-L115 PolarHBondContact O-N 3.48Å; L115-P186 WeakPolarHBondContact O-CD 3.47Å; L115-V187 HydrophobicContact CB-CB 4.14Å; L115-V187 HydrophobicContact CD2-CB 4.3Å; L115-V187 HydrophobicContact CD2-CG2 4.35Å; L115-V187 PolarHBondContact O-N 3.28Å |
| 116 | V | 95.6 | Very high | 95.2 | Very high | 27 Ų | 27 | 64.9 Ų | 64.9 | 16% | 0.164 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135.2 | -32.6 | -172.9 | 67.9 | 0 | 0 | 0 | 0 | 113.1 | F105 L108 R113 Y185 | F105-V116 HydrophobicContact CD2-CG1 4.29Å; F105-V116 HydrophobicContact CD2-CG2 4.02Å; F105-V116 HydrophobicContact CE2-CG1 4.43Å; L108-V116 HydrophobicContact CB-CB 4.11Å; L108-V116 HydrophobicContact CB-CG1 3.77Å; L108-V116 HydrophobicContact CD1-CB 4.24Å; R113-V116 PolarHBondContact O-N 3.23Å; R113-V116 VanDerWaalsContact O-N 3.17Å; V116-Y185 HydrophobicContact CG2-CD1 4.38Å |
| 117 | Y | 94.6 | Very high | 95 | Very high | 5 Ų | 5 | 66.8 Ų | 66.8 | 2% | 0.02 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -142.5 | 78.3 | -175 | -171.1 | -96.4 | 0 | 0 | 0 | 110.9 | F105 Y109 R113 L121 D122 I125 | F105-Y117 HydrophobicContact CE2-CD2 4.15Å; F105-Y117 HydrophobicContact CE2-CG 4.18Å; F105-Y117 HydrophobicContact CZ-CD2 4.3Å; F105-Y117 HydrophobicContact CZ-CG 4.19Å; Y109-Y117 HydrophobicContact CD2-CD1 4.17Å; Y109-Y117 HydrophobicContact CD2-CG 4.41Å; Y109-Y117 AromaticContact CE2-CD1 3.58Å; Y109-Y117 HydrophobicContact CE2-CD1 3.58Å; Y109-Y117 HydrophobicContact CE2-CE1 4.24Å; Y109-Y117 HydrophobicContact CE2-CG 4.24Å; R113-Y117 PolarHBondContact NE-O 2.94Å; R113-Y117 PolarHBondContact NH2-O 3.31Å; R113-Y117 CarbonylContact O-C 3.07Å; R113-Y117 WeakPolarHBondContact O-CA 3.24Å; R113-Y117 PolarHBondContact O-N 3.34Å; R113-Y117 VanDerWaalsContact O-O 3.04Å; Y117-L121 HydrophobicContact CD2-CB 4.21Å; Y117-L121 HydrophobicContact CD2-CD1 3.46Å; Y117-L121 VanDerWaalsContact CD2-CD1 3.46Å; Y117-L121 HydrophobicContact CD2-CG 4.49Å; Y117-L121 HydrophobicContact CE1-CB 4.28Å; Y117-L121 HydrophobicContact CE2-CB 3.71Å; Y117-L121 HydrophobicContact CE2-CD1 3.71Å; Y117-L121 HydrophobicContact CE2-CG 4.37Å; Y117-L121 HydrophobicContact CG-CD1 4.06Å; Y117-D122 WeakPolarHBondContact CE1-OD1 3.38Å; Y117-D122 PolarHBondContact OH-OD1 3.39Å; Y117-I125 HydrophobicContact CE2-CD1 3.94Å; Y117-I125 WeakPolarHBondContact OH-CB 3.43Å |
| 118 | P | 93.8 | Very high | 94.9 | Very high | 31 Ų | 31 | 69.5 Ų | 69.5 | 20% | 0.201 | 33% | 0.332 | C | S | . | . | trans | -54.7 | 149.3 | 179.4 | -27.5 | 36.4 | 0 | 0 | 0 | 113.1 | R113 E114 L120 L121 P186 | R113-P118 PolarHBondContact NH2-O 3.48Å; E114-P118 WeakPolarHBondContact OE2-CA 3.44Å; E114-P118 WeakPolarHBondContact OE2-CB 3.38Å; P118-L120 PolarHBondContact O-N 2.96Å; P118-L120 VanDerWaalsContact O-N 3.08Å; P118-L121 WeakPolarHBondContact O-CB 3.47Å; P118-L121 PolarHBondContact O-N 3.03Å; P118-P186 HydrophobicContact CG-CG 3.91Å | ||
| 119 | K | 93.6 | Very high | 94.9 | Very high | 135 Ų | 135 | 68 Ų | 68 | 59% | 0.587 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -54.8 | -28.7 | 177.4 | -76.4 | 166.9 | -171.1 | 178.8 | 0 | 114 | E114 L121 D122 | E114-K119 WeakPolarHBondContact OE1-CB 3.48Å; E114-K119 WeakPolarHBondContact OE1-CD 3.2Å; E114-K119 WeakPolarHBondContact OE1-CG 3.48Å; E114-K119 PolarHBondContact OE1-N 2.96Å; K119-L121 PolarHBondContact O-N 2.81Å; K119-L121 VanDerWaalsContact O-N 3.14Å; K119-D122 WeakPolarHBondContact O-CB 3.49Å; K119-D122 PolarHBondContact O-N 3.2Å |
| 120 | L | 91.4 | Very high | 94.9 | Very high | 116 Ų | 116 | 65.8 Ų | 65.8 | 61% | 0.607 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -54.3 | -32.5 | 175.5 | -179.2 | 63.4 | 0 | 0 | 0 | 112.7 | P118 D122 N123 F124 | P118-L120 PolarHBondContact O-N 2.96Å; P118-L120 VanDerWaalsContact O-N 3.08Å; L120-D122 PolarHBondContact O-N 2.89Å; L120-N123 PolarHBondContact O-N 3.45Å; L120-N123 PolarHBondContact O-ND2 3.44Å; L120-F124 HydrophobicContact CD1-CE2 4.39Å; L120-F124 HydrophobicContact CG-CE2 4.36Å; L120-F124 WeakPolarHBondContact O-CD2 3.39Å |
| 121 | L | 91.6 | Very high | 94.8 | Very high | 43 Ų | 43 | 63.1 Ų | 63.1 | 23% | 0.225 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -68.4 | -21.8 | -179.8 | -65.5 | 178.5 | 0 | 0 | 0 | 113.1 | M29 Y117 P118 K119 N123 F124 I125 | M29-L121 HydrophobicContact SD-CD2 4.47Å; Y117-L121 HydrophobicContact CD2-CB 4.21Å; Y117-L121 HydrophobicContact CD2-CD1 3.46Å; Y117-L121 VanDerWaalsContact CD2-CD1 3.46Å; Y117-L121 HydrophobicContact CD2-CG 4.49Å; Y117-L121 HydrophobicContact CE1-CB 4.28Å; Y117-L121 HydrophobicContact CE2-CB 3.71Å; Y117-L121 HydrophobicContact CE2-CD1 3.71Å; Y117-L121 HydrophobicContact CE2-CG 4.37Å; Y117-L121 HydrophobicContact CG-CD1 4.06Å; P118-L121 WeakPolarHBondContact O-CB 3.47Å; P118-L121 PolarHBondContact O-N 3.03Å; K119-L121 PolarHBondContact O-N 2.81Å; K119-L121 VanDerWaalsContact O-N 3.14Å; L121-N123 PolarHBondContact O-N 2.89Å; L121-F124 PolarHBondContact O-N 3Å; L121-I125 HydrophobicContact CB-CD1 4.37Å; L121-I125 PolarHBondContact O-N 2.81Å |
| 122 | D | 93.1 | Very high | 94.8 | Very high | 58 Ų | 58 | 54.1 Ų | 54.1 | 31% | 0.31 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -64.3 | -22.6 | 177.6 | -66.8 | -17.3 | 0 | 0 | 0 | 112.5 | R113 Y117 K119 L120 F124 | R113-D122 IonicContact CZ-OD1 2.97Å; R113-D122 IonicContact CZ-OD2 3.64Å; R113-D122 VanDerWaalsContact CZ-OD2 3.28Å; R113-D122 IonicContact NH1-OD1 3.28Å; R113-D122 IonicContact NH1-OD2 3.57Å; R113-D122 PolarHBondContact NH1-OD2 3.07Å; R113-D122 IonicContact NH2-OD1 3.72Å; R113-D122 PolarHBondContact NH2-OD1 3.38Å; R113-D122 IonicContact NH2-OD2 3.65Å; R113-D122 PolarHBondContact NH2-OD2 3.01Å; Y117-D122 WeakPolarHBondContact CE1-OD1 3.38Å; Y117-D122 PolarHBondContact OH-OD1 3.39Å; K119-D122 WeakPolarHBondContact O-CB 3.49Å; K119-D122 PolarHBondContact O-N 3.2Å; L120-D122 PolarHBondContact O-N 2.89Å; D122-F124 PolarHBondContact O-N 3.37Å |
| 123 | N | 93.5 | Very high | 94.8 | Very high | 127 Ų | 127 | 51.9 Ų | 51.9 | 68% | 0.679 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -72.8 | -16.9 | 175.7 | -63.3 | -37.6 | 0 | 0 | 0 | 113 | L120 L121 | L120-N123 PolarHBondContact O-N 3.45Å; L120-N123 PolarHBondContact O-ND2 3.44Å; L121-N123 PolarHBondContact O-N 2.89Å |
| 124 | F | 92.8 | Very high | 94.9 | Very high | 67 Ų | 67 | 50.5 Ų | 50.5 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | -42 | -175 | -57.6 | -85.7 | 0 | 0 | 0 | 112.2 | L27 M29 L120 L121 D122 P126 | L27-F124 WeakPolarHBondContact CD1-O 3.24Å; L27-F124 VanDerWaalsContact CD2-O 3.25Å; L27-F124 WeakPolarHBondContact CD2-O 3.43Å; M29-F124 HydrophobicContact CG-CB 3.59Å; M29-F124 HydrophobicContact CG-CD1 3.83Å; M29-F124 HydrophobicContact CG-CG 3.75Å; M29-F124 HydrophobicContact SD-CB 3.6Å; M29-F124 HydrophobicContact SD-CG 4.2Å; L120-F124 HydrophobicContact CD1-CE2 4.39Å; L120-F124 HydrophobicContact CG-CE2 4.36Å; L120-F124 WeakPolarHBondContact O-CD2 3.39Å; L121-F124 PolarHBondContact O-N 3Å; D122-F124 PolarHBondContact O-N 3.37Å; F124-P126 WeakPolarHBondContact O-CD 3.34Å |
| 125 | I | 94.3 | Very high | 94.9 | Very high | 9 Ų | 9 | 50.4 Ų | 50.4 | 5% | 0.046 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -103.5 | 107.9 | -172.4 | -60.7 | 169.6 | 0 | 0 | 0 | 108.6 | L27 M29 Y117 L121 L129 N130 M133 | L27-I125 HydrophobicContact CD1-CB 4.46Å; L27-I125 HydrophobicContact CD1-CG1 3.72Å; M29-I125 HydrophobicContact CE-CD1 4.13Å; M29-I125 HydrophobicContact CE-CG1 4.25Å; M29-I125 HydrophobicContact SD-CD1 3.85Å; M29-I125 HydrophobicContact SD-CG1 3.74Å; Y117-I125 HydrophobicContact CE2-CD1 3.94Å; Y117-I125 WeakPolarHBondContact OH-CB 3.43Å; L121-I125 HydrophobicContact CB-CD1 4.37Å; L121-I125 PolarHBondContact O-N 2.81Å; I125-L129 HydrophobicContact CG2-CB 4.27Å; I125-L129 HydrophobicContact CG2-CD2 4.29Å; I125-L129 HydrophobicContact CG2-CG 4.33Å; I125-N130 HydrophobicContact CG2-CB 4.08Å; I125-M133 HydrophobicContact CD1-CE 4.26Å; I125-M133 HydrophobicContact CG2-CE 3.59Å |
| 126 | P | 94.9 | Very high | 95 | Very high | 52 Ų | 52 | 51.4 Ų | 51.4 | 34% | 0.338 | 26% | 0.258 | S | S | . | . | trans | -67.1 | 153.3 | 175.8 | 28.4 | -34.7 | 0 | 0 | 0 | 111.1 | F124 W128 L129 N130 | F124-P126 WeakPolarHBondContact O-CD 3.34Å; P126-W128 VanDerWaalsContact C-N 3.28Å; P126-W128 VanDerWaalsContact CG-NE1 3.34Å; P126-W128 PolarHBondContact O-N 2.86Å; P126-L129 HydrophobicContact CG-CB 3.92Å; P126-L129 WeakPolarHBondContact O-CB 3.28Å; P126-L129 PolarHBondContact O-N 2.96Å; P126-N130 PolarHBondContact O-N 3.5Å | ||
| 127 | Q | 94.1 | Very high | 95 | Very high | 92 Ų | 92 | 50.1 Ų | 50.1 | 43% | 0.43 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -56.4 | -39 | -174.3 | -70.7 | -61.7 | -22.8 | 0 | 0 | 113.8 | L129 N130 H131 | Q127-L129 VanDerWaalsContact C-N 3.26Å; Q127-L129 PolarHBondContact O-N 3.19Å; Q127-N130 PolarHBondContact O-N 3.26Å; Q127-H131 PolarHBondContact O-CD2 3.43Å; Q127-H131 VanDerWaalsContact O-CD2 3.3Å; Q127-H131 PolarHBondContact O-N 3.27Å |
| 128 | W | 96.1 | Very high | 95.1 | Very high | 127 Ų | 127 | 52.2 Ų | 52.2 | 48% | 0.481 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.6 | -38.9 | 177.5 | 76.3 | -99.7 | 0 | 0 | 0 | 111.5 | I20 H23 P126 H131 G132 | I20-W128 HydrophobicContact CG1-CZ3 4.44Å; H23-W128 HydrophobicContact CB-CH2 3.67Å; H23-W128 HydrophobicContact CB-CZ2 4.01Å; H23-W128 AromaticContact CD2-CH2 3.9Å; H23-W128 AromaticContact CD2-CZ2 3.67Å; H23-W128 AromaticContact CG-CH2 3.52Å; H23-W128 AromaticContact CG-CZ2 3.76Å; H23-W128 AromaticContact ND1-CH2 3.79Å; P126-W128 VanDerWaalsContact C-N 3.28Å; P126-W128 VanDerWaalsContact CG-NE1 3.34Å; P126-W128 PolarHBondContact O-N 2.86Å; W128-H131 PolarHBondContact O-N 3.25Å; W128-G132 PolarHBondContact O-N 3.48Å |
| 129 | L | 96.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -73.1 | -41 | 179.8 | -176.9 | 63.4 | 0 | 0 | 0 | 109.6 | I20 H23 L27 I125 P126 Q127 H131 G132 M133 | I20-L129 HydrophobicContact CB-CD1 4.37Å; I20-L129 HydrophobicContact CG2-CD1 3.85Å; H23-L129 HydrophobicContact CB-CD1 4.31Å; L27-L129 HydrophobicContact CD1-CD2 3.71Å; L27-L129 HydrophobicContact CG-CD2 4.41Å; I125-L129 HydrophobicContact CG2-CB 4.27Å; I125-L129 HydrophobicContact CG2-CD2 4.29Å; I125-L129 HydrophobicContact CG2-CG 4.33Å; P126-L129 HydrophobicContact CG-CB 3.92Å; P126-L129 WeakPolarHBondContact O-CB 3.28Å; P126-L129 PolarHBondContact O-N 2.96Å; Q127-L129 VanDerWaalsContact C-N 3.26Å; Q127-L129 PolarHBondContact O-N 3.19Å; L129-H131 VanDerWaalsContact C-N 3.32Å; L129-H131 PolarHBondContact O-N 3.45Å; L129-G132 CarbonylContact O-C 3.13Å; L129-G132 PolarHBondContact O-N 2.77Å; L129-G132 VanDerWaalsContact O-N 3.12Å; L129-M133 HydrophobicContact CD1-CG 4.22Å; L129-M133 HydrophobicContact CD1-SD 4.44Å; L129-M133 HydrophobicContact CG-CE 4.09Å; L129-M133 HydrophobicContact CG-CG 4.32Å; L129-M133 HydrophobicContact CG-SD 4.14Å; L129-M133 WeakPolarHBondContact O-CB 3.46Å; L129-M133 WeakPolarHBondContact O-CG 3.39Å; L129-M133 PolarHBondContact O-N 3.27Å |
| 130 | N | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.1 | -47.9 | 173.3 | -175.7 | 36.4 | 0 | 0 | 0 | 111.8 | F105 I125 P126 Q127 M133 H134 | F105-N130 WeakPolarHBondContact CZ-OD1 3.46Å; I125-N130 HydrophobicContact CG2-CB 4.08Å; P126-N130 PolarHBondContact O-N 3.5Å; Q127-N130 PolarHBondContact O-N 3.26Å; N130-M133 PolarHBondContact O-N 3.15Å; N130-H134 WeakPolarHBondContact O-CB 3.49Å; N130-H134 PolarHBondContact O-N 2.92Å; N130-H134 PolarHBondContact O-ND1 3.27Å; N130-H134 VanDerWaalsContact O-ND1 3.13Å; N130-H134 PolarHBondContact OD1-CE1 3.29Å; N130-H134 PolarHBondContact OD1-ND1 2.88Å |
| 131 | H | 97.3 | Very high | 95.7 | Very high | 83 Ų | 83 | 43.9 Ų | 43.9 | 38% | 0.384 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.3 | -37.5 | 174.7 | -79.4 | -68.6 | 0 | 0 | 0 | 113.1 | W106 Q127 W128 L129 M133 H134 T135 T136 | W106-H131 AromaticContact CH2-CE1 3.47Å; W106-H131 VanDerWaalsContact CH2-CE1 3.47Å; W106-H131 WeakPolarHBondContact CH2-CE1 3.37Å; W106-H131 AromaticContact CH2-ND1 3.75Å; W106-H131 AromaticContact CZ2-CE1 3.82Å; W106-H131 AromaticContact CZ2-ND1 3.63Å; Q127-H131 PolarHBondContact O-CD2 3.43Å; Q127-H131 VanDerWaalsContact O-CD2 3.3Å; Q127-H131 PolarHBondContact O-N 3.27Å; W128-H131 PolarHBondContact O-N 3.25Å; L129-H131 VanDerWaalsContact C-N 3.32Å; L129-H131 PolarHBondContact O-N 3.45Å; H131-M133 PolarHBondContact O-N 2.95Å; H131-H134 PolarHBondContact O-N 3.27Å; H131-T135 PolarHBondContact ND1-OG1 3.5Å; H131-T135 WeakPolarHBondContact O-CA 3.4Å; H131-T135 VanDerWaalsContact O-CB 3.26Å; H131-T135 WeakPolarHBondContact O-CB 3.22Å; H131-T135 PolarHBondContact O-N 2.85Å; H131-T136 PolarHBondContact O-N 2.9Å; H131-T136 VanDerWaalsContact O-N 3.1Å |
| 132 | G | 96.8 | Very high | 95.9 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 5% | 0.052 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.4 | -32.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | W128 L129 T136 | W128-G132 PolarHBondContact O-N 3.48Å; L129-G132 CarbonylContact O-C 3.13Å; L129-G132 PolarHBondContact O-N 2.77Å; L129-G132 VanDerWaalsContact O-N 3.12Å; G132-T136 WeakPolarHBondContact CA-OG1 3.18Å; G132-T136 PolarHBondContact O-OG1 2.96Å |
| 133 | M | 96.9 | Very high | 96 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 3% | 0.03 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -84.4 | -33.1 | 179.6 | -64.4 | -174.5 | -58.9 | 0 | 0 | 113.2 | I20 Y24 T43 L47 I125 L129 N130 H131 | I20-M133 HydrophobicContact CG2-CG 3.87Å; Y24-M133 HydrophobicContact CD2-CE 4.32Å; Y24-M133 HydrophobicContact CD2-SD 3.38Å; Y24-M133 WeakPolarHBondContact CD2-SD 3.42Å; Y24-M133 HydrophobicContact CE2-SD 3.8Å; Y24-M133 HydrophobicContact CG-SD 4.06Å; T43-M133 HydrophobicContact CG2-CB 3.79Å; L47-M133 HydrophobicContact CD1-CB 4.04Å; L47-M133 HydrophobicContact CD1-CG 3.66Å; L47-M133 HydrophobicContact CD1-SD 4.32Å; I125-M133 HydrophobicContact CD1-CE 4.26Å; I125-M133 HydrophobicContact CG2-CE 3.59Å; L129-M133 HydrophobicContact CD1-CG 4.22Å; L129-M133 HydrophobicContact CD1-SD 4.44Å; L129-M133 HydrophobicContact CG-CE 4.09Å; L129-M133 HydrophobicContact CG-CG 4.32Å; L129-M133 HydrophobicContact CG-SD 4.14Å; L129-M133 WeakPolarHBondContact O-CB 3.46Å; L129-M133 WeakPolarHBondContact O-CG 3.39Å; L129-M133 PolarHBondContact O-N 3.27Å; N130-M133 PolarHBondContact O-N 3.15Å; H131-M133 PolarHBondContact O-N 2.95Å |
| 134 | H | 97.2 | Very high | 96.1 | Very high | 9 Ų | 9 | 38.8 Ų | 38.8 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -120.8 | -8.4 | -168.2 | -58.9 | 105.3 | 0 | 0 | 0 | 115.3 | T43 V102 F105 W106 N130 H131 | T43-H134 WeakPolarHBondContact CG2-NE2 3.34Å; T43-H134 PolarHBondContact OG1-NE2 2.87Å; V102-H134 VanDerWaalsContact CG2-O 3.31Å; V102-H134 WeakPolarHBondContact CG2-O 3.35Å; F105-H134 HydrophobicContact CB-CB 4.5Å; F105-H134 HydrophobicContact CD1-CB 3.43Å; F105-H134 VanDerWaalsContact CD1-CB 3.43Å; F105-H134 AromaticContact CD1-CD2 3.83Å; F105-H134 AromaticContact CD1-CG 3.58Å; F105-H134 HydrophobicContact CD2-CB 4.47Å; F105-H134 AromaticContact CD2-CD2 3.25Å; F105-H134 WeakPolarHBondContact CD2-CD2 3.47Å; F105-H134 AromaticContact CD2-CE1 3.88Å; F105-H134 AromaticContact CD2-CG 3.74Å; F105-H134 AromaticContact CD2-NE2 3.37Å; F105-H134 WeakPolarHBondContact CD2-NE2 3.33Å; F105-H134 HydrophobicContact CE1-CB 3.62Å; F105-H134 AromaticContact CE1-CG 3.61Å; F105-H134 AromaticContact CE1-ND1 3.83Å; F105-H134 AromaticContact CE2-CD2 3.61Å; F105-H134 AromaticContact CE2-CE1 3.43Å; F105-H134 VanDerWaalsContact CE2-CE1 3.43Å; F105-H134 WeakPolarHBondContact CE2-CE1 3.06Å; F105-H134 AromaticContact CE2-CG 3.75Å; F105-H134 AromaticContact CE2-ND1 3.66Å; F105-H134 AromaticContact CE2-NE2 3.41Å; F105-H134 WeakPolarHBondContact CE2-NE2 3.44Å; F105-H134 HydrophobicContact CG-CB 3.89Å; F105-H134 AromaticContact CG-CD2 3.35Å; F105-H134 WeakPolarHBondContact CG-CD2 3.36Å; F105-H134 AromaticContact CG-CG 3.64Å; F105-H134 AromaticContact CG-NE2 4Å; F105-H134 HydrophobicContact CZ-CB 4.21Å; F105-H134 AromaticContact CZ-CE1 3.74Å; F105-H134 AromaticContact CZ-CG 3.69Å; F105-H134 AromaticContact CZ-ND1 3.51Å; W106-H134 HydrophobicContact CZ2-CB 4.21Å; W106-H134 PolarHBondContact NE1-O 3.32Å; N130-H134 WeakPolarHBondContact O-CB 3.49Å; N130-H134 PolarHBondContact O-N 2.92Å; N130-H134 PolarHBondContact O-ND1 3.27Å; N130-H134 VanDerWaalsContact O-ND1 3.13Å; N130-H134 PolarHBondContact OD1-CE1 3.29Å; N130-H134 PolarHBondContact OD1-ND1 2.88Å; H131-H134 PolarHBondContact O-N 3.27Å |
| 135 | T | 97.2 | Very high | 96.2 | Very high | 48 Ų | 48 | 35.6 Ų | 35.6 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -50 | 179.4 | -53.2 | 0 | 0 | 0 | 0 | 111.6 | W106 H131 V137 L138 P139 | W106-T135 WeakPolarHBondContact CZ2-OG1 3.35Å; W106-T135 PolarHBondContact NE1-OG1 3.41Å; H131-T135 PolarHBondContact ND1-OG1 3.5Å; H131-T135 WeakPolarHBondContact O-CA 3.4Å; H131-T135 VanDerWaalsContact O-CB 3.26Å; H131-T135 WeakPolarHBondContact O-CB 3.22Å; H131-T135 PolarHBondContact O-N 2.85Å; T135-V137 PolarHBondContact O-N 2.87Å; T135-V137 VanDerWaalsContact O-N 3.16Å; T135-L138 PolarHBondContact O-N 3.38Å; T135-P139 WeakPolarHBondContact O-CD 3.34Å |
| 136 | T | 96.3 | Very high | 96.1 | Very high | 38 Ų | 38 | 42.4 Ų | 42.4 | 23% | 0.233 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -20.8 | -168.3 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | H131 G132 L138 P139 F140 | H131-T136 PolarHBondContact O-N 2.9Å; H131-T136 VanDerWaalsContact O-N 3.1Å; G132-T136 WeakPolarHBondContact CA-OG1 3.18Å; G132-T136 PolarHBondContact O-OG1 2.96Å; T136-L138 PolarHBondContact O-N 3.36Å; T136-P139 WeakPolarHBondContact O-CD 3.27Å; T136-F140 HydrophobicContact CG2-CZ 4.41Å; T136-F140 WeakPolarHBondContact O-CB 3.37Å; T136-F140 WeakPolarHBondContact O-CD2 3.32Å; T136-F140 WeakPolarHBondContact O-CG 3.39Å; T136-F140 PolarHBondContact O-N 3.38Å; T136-F140 VanDerWaalsContact O-N 3.09Å |
| 137 | V | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -54 | -50 | 177.6 | 178.9 | 0 | 0 | 0 | 0 | 112 | Y17 L47 Q50 V102 T135 F140 I141 | Y17-V137 HydrophobicContact CE1-CG2 4.34Å; Y17-V137 WeakPolarHBondContact OH-CA 3.44Å; L47-V137 HydrophobicContact CD2-CG2 4.31Å; Q50-V137 HydrophobicContact CG-CG1 3.85Å; V102-V137 HydrophobicContact CG2-CB 4.07Å; T135-V137 PolarHBondContact O-N 2.87Å; T135-V137 VanDerWaalsContact O-N 3.16Å; V137-F140 PolarHBondContact O-N 2.94Å; V137-I141 PolarHBondContact O-N 2.88Å |
| 138 | L | 96.6 | Very high | 95.8 | Very high | 50 Ų | 50 | 38.9 Ų | 38.9 | 26% | 0.262 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -69.4 | -47.5 | -174.6 | -176.3 | 64.6 | 0 | 0 | 0 | 113 | A99 V102 T135 T136 F140 I141 I142 | A99-L138 HydrophobicContact CB-CD1 4.06Å; V102-L138 HydrophobicContact CB-CB 4.34Å; V102-L138 HydrophobicContact CG1-CB 4.16Å; V102-L138 HydrophobicContact CG1-CD2 4.16Å; V102-L138 HydrophobicContact CG2-CB 3.95Å; T135-L138 PolarHBondContact O-N 3.38Å; T136-L138 PolarHBondContact O-N 3.36Å; L138-F140 VanDerWaalsContact C-N 3.35Å; L138-F140 PolarHBondContact O-N 3.44Å; L138-I141 HydrophobicContact CD1-CG2 4.26Å; L138-I141 WeakPolarHBondContact O-CG2 3.14Å; L138-I141 PolarHBondContact O-N 3.22Å; L138-I142 HydrophobicContact CD1-CD1 3.86Å; L138-I142 HydrophobicContact CD1-CG1 4.19Å; L138-I142 HydrophobicContact CG-CD1 3.8Å; L138-I142 WeakPolarHBondContact O-CB 3.49Å; L138-I142 VanDerWaalsContact O-CG1 3.24Å; L138-I142 WeakPolarHBondContact O-CG1 3.5Å; L138-I142 PolarHBondContact O-N 2.98Å |
| 139 | P | 97.3 | Very high | 95.7 | Very high | 62 Ų | 62 | 37.2 Ų | 37.2 | 40% | 0.403 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -56.8 | -44.4 | 172.3 | -27.1 | 35.5 | 0 | 0 | 0 | 113.3 | T135 T136 I142 I143 | T135-P139 WeakPolarHBondContact O-CD 3.34Å; T136-P139 WeakPolarHBondContact O-CD 3.27Å; P139-I142 PolarHBondContact O-N 3.31Å; P139-I143 WeakPolarHBondContact O-CB 3.48Å; P139-I143 WeakPolarHBondContact O-CD1 3.47Å; P139-I143 WeakPolarHBondContact O-CG1 3.45Å; P139-I143 PolarHBondContact O-N 2.92Å |
| 140 | F | 97.4 | Very high | 95.5 | Very high | 44 Ų | 44 | 37.1 Ų | 37.1 | 19% | 0.193 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.5 | -43 | -178.6 | -67.9 | -13.7 | 0 | 0 | 0 | 112.4 | I13 S16 Y17 F54 T136 V137 L138 I143 E144 | I13-F140 HydrophobicContact CD1-CB 4.22Å; I13-F140 HydrophobicContact CD1-CD1 4.32Å; I13-F140 HydrophobicContact CD1-CG 4.31Å; I13-F140 HydrophobicContact CG1-CB 4.45Å; I13-F140 HydrophobicContact CG1-CD1 4.08Å; I13-F140 HydrophobicContact CG1-CD2 4.43Å; I13-F140 HydrophobicContact CG1-CE1 4.43Å; I13-F140 HydrophobicContact CG1-CG 4.08Å; I13-F140 HydrophobicContact CG2-CB 3.99Å; I13-F140 HydrophobicContact CG2-CD2 3.73Å; I13-F140 HydrophobicContact CG2-CE2 4.38Å; I13-F140 HydrophobicContact CG2-CG 3.93Å; S16-F140 VanDerWaalsContact OG-CE2 3.24Å; S16-F140 WeakPolarHBondContact OG-CE2 3.25Å; Y17-F140 AromaticContact CE2-CD2 3.93Å; Y17-F140 HydrophobicContact CE2-CD2 3.93Å; Y17-F140 AromaticContact CZ-CD2 3.81Å; F54-F140 HydrophobicContact CE2-CB 4.45Å; F54-F140 HydrophobicContact CZ-CB 4.32Å; T136-F140 HydrophobicContact CG2-CZ 4.41Å; T136-F140 WeakPolarHBondContact O-CB 3.37Å; T136-F140 WeakPolarHBondContact O-CD2 3.32Å; T136-F140 WeakPolarHBondContact O-CG 3.39Å; T136-F140 PolarHBondContact O-N 3.38Å; T136-F140 VanDerWaalsContact O-N 3.09Å; V137-F140 PolarHBondContact O-N 2.94Å; L138-F140 VanDerWaalsContact C-N 3.35Å; L138-F140 PolarHBondContact O-N 3.44Å; F140-I143 WeakPolarHBondContact O-CB 3.34Å; F140-I143 PolarHBondContact O-N 3.03Å; F140-E144 PolarHBondContact O-N 3.2Å |
| 141 | I | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.4 | -33.4 | 179.8 | -153.5 | 57.5 | 0 | 0 | 0 | 112.1 | F53 F54 M90 A94 F95 V137 L138 E144 M145 | F53-I141 HydrophobicContact CD1-CD1 3.8Å; F53-I141 HydrophobicContact CE1-CD1 3.44Å; F53-I141 VanDerWaalsContact CE1-CD1 3.44Å; F53-I141 HydrophobicContact CZ-CD1 4.22Å; F54-I141 HydrophobicContact CE2-CD1 4.28Å; F54-I141 HydrophobicContact CZ-CD1 4.43Å; M90-I141 HydrophobicContact CE-CD1 3.84Å; M90-I141 HydrophobicContact CE-CG1 3.74Å; M90-I141 HydrophobicContact SD-CD1 3.35Å; M90-I141 WeakPolarHBondContact SD-CD1 3.49Å; M90-I141 HydrophobicContact SD-CG1 3.71Å; A94-I141 HydrophobicContact CB-CD1 3.88Å; A94-I141 HydrophobicContact CB-CG1 4.48Å; F95-I141 HydrophobicContact CB-CG1 4.34Å; F95-I141 HydrophobicContact CD2-CG1 4.3Å; F95-I141 HydrophobicContact CD2-CG2 3.85Å; F95-I141 HydrophobicContact CE2-CG2 4.31Å; V137-I141 PolarHBondContact O-N 2.88Å; L138-I141 HydrophobicContact CD1-CG2 4.26Å; L138-I141 WeakPolarHBondContact O-CG2 3.14Å; L138-I141 PolarHBondContact O-N 3.22Å; I141-E144 PolarHBondContact O-N 2.91Å; I141-M145 PolarHBondContact O-N 3.3Å |
| 142 | I | 96.1 | Very high | 95.2 | Very high | 57 Ų | 57 | 38.5 Ų | 38.5 | 29% | 0.292 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.5 | -41.8 | 172.7 | -70.3 | 170.1 | 0 | 0 | 0 | 110.9 | L138 P139 E144 M145 R146 L217 | L138-I142 HydrophobicContact CD1-CD1 3.86Å; L138-I142 HydrophobicContact CD1-CG1 4.19Å; L138-I142 HydrophobicContact CG-CD1 3.8Å; L138-I142 WeakPolarHBondContact O-CB 3.49Å; L138-I142 VanDerWaalsContact O-CG1 3.24Å; L138-I142 WeakPolarHBondContact O-CG1 3.5Å; L138-I142 PolarHBondContact O-N 2.98Å; P139-I142 PolarHBondContact O-N 3.31Å; I142-E144 VanDerWaalsContact C-N 3.33Å; I142-E144 PolarHBondContact O-N 2.9Å; I142-M145 PolarHBondContact O-N 3.02Å; I142-R146 HydrophobicContact CG2-CG 4.43Å; I142-R146 WeakPolarHBondContact O-CB 3.47Å; I142-R146 WeakPolarHBondContact O-CG 3.35Å; I142-R146 PolarHBondContact O-N 3.3Å; I142-L217 HydrophobicContact CG1-CD2 4.46Å |
| 143 | I | 95 | Very high | 95.1 | Very high | 63 Ų | 63 | 39.8 Ų | 39.8 | 32% | 0.323 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.4 | -47 | 174.9 | -77 | 167.2 | 0 | 0 | 0 | 110.3 | L9 I13 P139 F140 M145 R146 T147 | L9-I143 HydrophobicContact CD1-CG2 4.34Å; L9-I143 HydrophobicContact CD2-CG2 3.17Å; L9-I143 HydrophobicContact CG-CG2 3.87Å; I13-I143 HydrophobicContact CD1-CG2 4.36Å; P139-I143 WeakPolarHBondContact O-CB 3.48Å; P139-I143 WeakPolarHBondContact O-CD1 3.47Å; P139-I143 WeakPolarHBondContact O-CG1 3.45Å; P139-I143 PolarHBondContact O-N 2.92Å; F140-I143 WeakPolarHBondContact O-CB 3.34Å; F140-I143 PolarHBondContact O-N 3.03Å; I143-M145 PolarHBondContact O-N 3.19Å; I143-R146 WeakPolarHBondContact O-CB 3.33Å; I143-R146 PolarHBondContact O-N 3.03Å; I143-T147 WeakPolarHBondContact O-CG2 3.4Å; I143-T147 PolarHBondContact O-N 2.95Å; I143-T147 PolarHBondContact O-OG1 2.92Å |
| 144 | E | 95.3 | Very high | 95 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.009 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.3 | -49.8 | 176 | 176.1 | 61 | -163.6 | 0 | 0 | 111.1 | R10 F53 F54 F140 I141 I142 R146 T147 T148 H150 | R10-E144 WeakPolarHBondContact CG-OE2 3.43Å; R10-E144 IonicContact CZ-OE1 3.99Å; R10-E144 IonicContact CZ-OE2 3.71Å; R10-E144 IonicContact NE-OE1 3.74Å; R10-E144 PolarHBondContact NE-OE1 3.5Å; R10-E144 IonicContact NE-OE2 3.87Å; R10-E144 PolarHBondContact NE-OE2 3.47Å; R10-E144 IonicContact NH2-OE1 2.86Å; R10-E144 PolarHBondContact NH2-OE1 3.42Å; R10-E144 IonicContact NH2-OE2 3.82Å; F53-E144 HydrophobicContact CE1-CB 4.45Å; F53-E144 HydrophobicContact CE1-CG 3.8Å; F53-E144 HydrophobicContact CZ-CG 3.8Å; F54-E144 HydrophobicContact CE1-CB 3.98Å; F54-E144 HydrophobicContact CE1-CG 4.38Å; F54-E144 HydrophobicContact CZ-CB 3.95Å; F140-E144 PolarHBondContact O-N 3.2Å; I141-E144 PolarHBondContact O-N 2.91Å; I142-E144 VanDerWaalsContact C-N 3.33Å; I142-E144 PolarHBondContact O-N 2.9Å; E144-R146 PolarHBondContact O-N 3.37Å; E144-T147 CarbonylContact O-C 3.57Å; E144-T147 PolarHBondContact O-N 3.43Å; E144-T147 PolarHBondContact O-OG1 3.29Å; E144-T148 PolarHBondContact O-N 3.03Å; E144-H150 IonicContact OE1-CE1 3.09Å; E144-H150 IonicContact OE1-NE2 2.65Å |
| 145 | M | 94.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.1 | -32.5 | 178.1 | -165.9 | -175.6 | -68.2 | 0 | 0 | 113.1 | M90 F95 I141 I142 I143 T148 L217 N218 I221 W222 | M90-M145 HydrophobicContact CE-CB 3.73Å; M90-M145 HydrophobicContact CE-CE 3.71Å; M90-M145 HydrophobicContact CE-CG 4.25Å; F95-M145 HydrophobicContact CB-CE 4.48Å; F95-M145 HydrophobicContact CD2-CE 3.23Å; F95-M145 HydrophobicContact CE2-CE 3.43Å; F95-M145 VanDerWaalsContact CE2-CE 3.43Å; F95-M145 HydrophobicContact CG-CE 3.84Å; F95-M145 HydrophobicContact CZ-CE 4.21Å; I141-M145 PolarHBondContact O-N 3.3Å; I142-M145 PolarHBondContact O-N 3.02Å; I143-M145 PolarHBondContact O-N 3.19Å; M145-T148 VanDerWaalsContact O-O 3.08Å; M145-L217 HydrophobicContact SD-CB 4.09Å; M145-L217 HydrophobicContact SD-CD2 3.86Å; M145-L217 HydrophobicContact SD-CG 3.75Å; M145-N218 HydrophobicContact CG-CB 4.08Å; M145-N218 HydrophobicContact SD-CB 3.8Å; M145-I221 HydrophobicContact CB-CD1 4.42Å; M145-I221 HydrophobicContact CG-CD1 3.93Å; M145-I221 HydrophobicContact SD-CD1 3.88Å; M145-W222 PolarHBondContact O-NE1 2.88Å |
| 146 | R | 93 | Very high | 94.8 | Very high | 151 Ų | 151 | 56.2 Ų | 56.2 | 57% | 0.57 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -73.3 | -30.7 | 174.2 | -77.9 | -69.4 | -155 | 167 | 7.2 | 113.3 | I142 I143 E144 I221 W222 | I142-R146 HydrophobicContact CG2-CG 4.43Å; I142-R146 WeakPolarHBondContact O-CB 3.47Å; I142-R146 WeakPolarHBondContact O-CG 3.35Å; I142-R146 PolarHBondContact O-N 3.3Å; I143-R146 WeakPolarHBondContact O-CB 3.33Å; I143-R146 PolarHBondContact O-N 3.03Å; E144-R146 PolarHBondContact O-N 3.37Å; R146-I221 HydrophobicContact CG-CD1 4.11Å; R146-W222 WeakPolarHBondContact O-CZ2 3.39Å |
| 147 | T | 92 | Very high | 94.8 | Very high | 49 Ų | 49 | 63.2 Ų | 63.2 | 30% | 0.301 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -93.3 | -16.7 | -177.2 | 62.5 | 0 | 0 | 0 | 0 | 113.4 | L9 I143 E144 | L9-T147 HydrophobicContact CD2-CG2 4.31Å; I143-T147 WeakPolarHBondContact O-CG2 3.4Å; I143-T147 PolarHBondContact O-N 2.95Å; I143-T147 PolarHBondContact O-OG1 2.92Å; E144-T147 CarbonylContact O-C 3.57Å; E144-T147 PolarHBondContact O-N 3.43Å; E144-T147 PolarHBondContact O-OG1 3.29Å |
| 148 | T | 91.8 | Very high | 94.8 | Very high | 22 Ų | 22 | 63.2 Ų | 63.2 | 14% | 0.135 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -144.3 | 133.3 | 178.7 | -74.7 | 0 | 0 | 0 | 0 | 112.2 | R10 E144 M145 H150 W222 | R10-T148 PolarHBondContact NH2-OG1 3.44Å; E144-T148 PolarHBondContact O-N 3.03Å; M145-T148 VanDerWaalsContact O-O 3.08Å; T148-H150 PolarHBondContact O-CD2 3.15Å; T148-H150 PolarHBondContact O-N 2.87Å; T148-W222 PolarHBondContact O-NE1 3.29Å |
| 149 | H | 92.3 | Very high | 94.9 | Very high | 91 Ų | 91 | 63 Ų | 63 | 42% | 0.421 | 30% | 0.298 | S | S | . | . | trans | -73.9 | 123.7 | 172.7 | -178.8 | -114.5 | 0 | 0 | 0 | 109.5 | W222 | H149-W222 HydrophobicContact CB-CD2 3.66Å; H149-W222 HydrophobicContact CB-CE3 4.07Å; H149-W222 HydrophobicContact CB-CG 3.92Å; H149-W222 HydrophobicContact CB-CZ2 4.28Å; H149-W222 VanDerWaalsContact CD2-CB 3.49Å; H149-W222 WeakPolarHBondContact CD2-CB 3.47Å; H149-W222 AromaticContact CD2-CD1 3.52Å; H149-W222 AromaticContact CD2-CG 3.38Å; H149-W222 AromaticContact CG-CG 3.97Å; H149-W222 VanDerWaalsContact N-CZ2 3.28Å | ||
| 150 | H | 93.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -107.5 | 133.2 | 176.9 | -65.3 | -74 | 0 | 0 | 0 | 111 | D87 M90 E144 T148 Y152 N218 | D87-H150 IonicContact OD1-CE1 2.83Å; D87-H150 IonicContact OD1-CG 2.83Å; D87-H150 IonicContact OD1-ND1 3.51Å; D87-H150 PolarHBondContact OD1-ND1 2.95Å; M90-H150 HydrophobicContact CG-CB 4.15Å; E144-H150 IonicContact OE1-CE1 3.09Å; E144-H150 IonicContact OE1-NE2 2.65Å; T148-H150 PolarHBondContact O-CD2 3.15Å; T148-H150 PolarHBondContact O-N 2.87Å; H150-Y152 PolarHBondContact O-N 3.12Å; H150-N218 PolarHBondContact N-OD1 3.2Å; H150-N218 PolarHBondContact O-ND2 2.92Å | ||
| 151 | S | 92.6 | Very high | 94.9 | Very high | 72 Ų | 72 | 61.8 Ų | 61.8 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | trans | -83.7 | 110.6 | 176.7 | -52.4 | 0 | 0 | 0 | 0 | 110.4 | D87 | D87-S151 PolarHBondContact OD2-N 3.03Å; D87-S151 PolarHBondContact OD2-OG 3.37Å | ||
| 152 | Y | 94.3 | Very high | 95 | Very high | 39 Ų | 39 | 61.8 Ų | 61.8 | 15% | 0.153 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 142.3 | 175.1 | -85.3 | -115.2 | 0 | 0 | 0 | 111 | A91 H150 Y211 G214 E215 N218 | A91-Y152 HydrophobicContact CB-CD1 3.54Å; A91-Y152 HydrophobicContact CB-CD2 4.15Å; A91-Y152 HydrophobicContact CB-CE1 3.58Å; A91-Y152 HydrophobicContact CB-CE2 4.19Å; A91-Y152 HydrophobicContact CB-CG 3.83Å; H150-Y152 PolarHBondContact O-N 3.12Å; Y152-Y211 HydrophobicContact CD1-CE2 4.06Å; Y152-Y211 HydrophobicContact CE1-CE2 4.24Å; Y152-G214 PolarHBondContact OH-O 2.87Å; Y152-E215 HydrophobicContact CD1-CB 3.64Å; Y152-E215 HydrophobicContact CD1-CG 3.84Å; Y152-E215 HydrophobicContact CE1-CB 3.8Å; Y152-E215 HydrophobicContact CE1-CG 4.48Å; Y152-E215 HydrophobicContact CG-CB 4.26Å; Y152-E215 HydrophobicContact CG-CG 4.06Å; Y152-N218 HydrophobicContact CD2-CB 4.23Å; Y152-N218 HydrophobicContact CE2-CB 3.64Å |
| 153 | P | 94 | Very high | 95.1 | Very high | 33 Ų | 33 | 61 Ų | 61 | 21% | 0.214 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 171 | 169.8 | 31.2 | -34.8 | 0 | 0 | 0 | 110.3 | V92 R155 Y211 | V92-P153 HydrophobicContact CG2-CG 4.11Å; P153-R155 PolarHBondContact O-N 3.26Å; P153-Y211 PolarHBondContact O-OH 3.33Å |
| 154 | R | 94.8 | Very high | 95.2 | Very high | 202 Ų | 202 | 64.2 Ų | 64.2 | 76% | 0.762 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 128.2 | 169.6 | -78.3 | 178.9 | 152.5 | 166.1 | -6.2 | 109.9 | S156 W157 G158 | R154-S156 PolarHBondContact O-N 3.25Å; R154-W157 WeakPolarHBondContact O-CA 3.37Å; R154-W157 WeakPolarHBondContact O-CB 3.38Å; R154-W157 PolarHBondContact O-N 2.84Å; R154-G158 PolarHBondContact O-N 2.83Å |
| 155 | R | 95.4 | Very high | 95.4 | Very high | 125 Ų | 125 | 66.5 Ų | 66.5 | 47% | 0.472 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -45.5 | -43.8 | -175.5 | -177.1 | 178.5 | -70.7 | 178.8 | -2.3 | 114 | P153 W157 G158 L159 Y211 E215 | P153-R155 PolarHBondContact O-N 3.26Å; R155-W157 PolarHBondContact O-N 2.83Å; R155-G158 PolarHBondContact O-N 2.72Å; R155-L159 HydrophobicContact CG-CD1 3.87Å; R155-L159 HydrophobicContact CG-CG 4.3Å; R155-L159 WeakPolarHBondContact O-CB 3.41Å; R155-L159 VanDerWaalsContact O-CG 3.29Å; R155-L159 WeakPolarHBondContact O-CG 3.28Å; R155-L159 PolarHBondContact O-N 3.38Å; R155-Y211 HydrophobicContact CG-CE1 4.18Å; R155-E215 IonicContact CZ-OE2 2.73Å; R155-E215 IonicContact NE-OE1 2.67Å; R155-E215 IonicContact NE-OE2 3.9Å; R155-E215 PolarHBondContact NE-OE2 2.86Å; R155-E215 IonicContact NH2-OE2 2.72Å; R155-E215 PolarHBondContact NH2-OE2 3.25Å |
| 156 | S | 95.9 | Very high | 95.5 | Very high | 81 Ų | 81 | 67 Ų | 67 | 57% | 0.566 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63 | -41 | 178.5 | 52.4 | 0 | 0 | 0 | 0 | 113.3 | R154 A160 | R154-S156 PolarHBondContact O-N 3.25Å; S156-A160 VanDerWaalsContact O-CB 3.26Å; S156-A160 WeakPolarHBondContact O-CB 3.41Å; S156-A160 PolarHBondContact O-N 2.67Å |
| 157 | W | 96.9 | Very high | 95.8 | Very high | 184 Ų | 184 | 63 Ų | 63 | 70% | 0.697 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -71.8 | -39 | 176.5 | -76.7 | 101.6 | 0 | 0 | 0 | 112.1 | R154 R155 A160 A161 | R154-W157 WeakPolarHBondContact O-CA 3.37Å; R154-W157 WeakPolarHBondContact O-CB 3.38Å; R154-W157 PolarHBondContact O-N 2.84Å; R155-W157 PolarHBondContact O-N 2.83Å; W157-A160 PolarHBondContact O-N 3.24Å; W157-A161 WeakPolarHBondContact O-CB 3.25Å; W157-A161 PolarHBondContact O-N 3.18Å |
| 158 | G | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.3 | -49.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | R154 R155 A160 A161 V162 | R154-G158 PolarHBondContact O-N 2.83Å; R155-G158 PolarHBondContact O-N 2.72Å; G158-A160 PolarHBondContact O-N 3Å; G158-A161 PolarHBondContact O-N 3.33Å; G158-V162 WeakPolarHBondContact O-CG2 3.49Å; G158-V162 PolarHBondContact O-N 3.4Å |
| 159 | L | 97.9 | Very high | 96.4 | Very high | 47 Ų | 47 | 62.6 Ų | 62.6 | 25% | 0.246 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 174.5 | -74 | 173.1 | 0 | 0 | 0 | 112.2 | R155 A161 V162 C163 C208 Y211 V212 | R155-L159 HydrophobicContact CG-CD1 3.87Å; R155-L159 HydrophobicContact CG-CG 4.3Å; R155-L159 WeakPolarHBondContact O-CB 3.41Å; R155-L159 VanDerWaalsContact O-CG 3.29Å; R155-L159 WeakPolarHBondContact O-CG 3.28Å; R155-L159 PolarHBondContact O-N 3.38Å; L159-A161 VanDerWaalsContact C-N 3.29Å; L159-A161 PolarHBondContact O-N 2.98Å; L159-V162 PolarHBondContact O-N 2.95Å; L159-C163 VanDerWaalsContact O-CB 3.3Å; L159-C163 WeakPolarHBondContact O-CB 3.31Å; L159-C163 PolarHBondContact O-N 3.4Å; L159-C163 PolarHBondContact O-SG 2.95Å; L159-C208 HydrophobicContact CD2-CB 3.85Å; L159-Y211 HydrophobicContact CD2-CD1 3.64Å; L159-Y211 HydrophobicContact CD2-CE1 4.42Å; L159-Y211 HydrophobicContact CD2-CG 4.19Å; L159-Y211 HydrophobicContact CG-CD1 3.89Å; L159-Y211 HydrophobicContact CG-CE1 4.17Å; L159-V212 HydrophobicContact CD2-CG2 4.23Å |
| 160 | A | 97.9 | Very high | 96.7 | Very high | 54 Ų | 54 | 59.8 Ų | 59.8 | 45% | 0.446 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.3 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S156 W157 G158 L164 | S156-A160 VanDerWaalsContact O-CB 3.26Å; S156-A160 WeakPolarHBondContact O-CB 3.41Å; S156-A160 PolarHBondContact O-N 2.67Å; W157-A160 PolarHBondContact O-N 3.24Å; G158-A160 PolarHBondContact O-N 3Å; A160-L164 VanDerWaalsContact O-CB 3.31Å; A160-L164 WeakPolarHBondContact O-CB 3.4Å; A160-L164 PolarHBondContact O-N 2.98Å |
| 161 | A | 97.7 | Very high | 96.9 | Very high | 26 Ų | 26 | 65.1 Ų | 65.1 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70 | -40.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | W88 V92 W157 G158 L159 L164 F165 | W88-A161 HydrophobicContact CZ2-CB 4.41Å; V92-A161 HydrophobicContact CG1-CB 3.41Å; V92-A161 VanDerWaalsContact CG1-CB 3.41Å; V92-A161 HydrophobicContact CG2-CB 4.4Å; W157-A161 WeakPolarHBondContact O-CB 3.25Å; W157-A161 PolarHBondContact O-N 3.18Å; G158-A161 PolarHBondContact O-N 3.33Å; L159-A161 VanDerWaalsContact C-N 3.29Å; L159-A161 PolarHBondContact O-N 2.98Å; A161-L164 PolarHBondContact O-N 3.31Å; A161-F165 PolarHBondContact O-N 3.49Å |
| 162 | V | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 174.4 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | V92 P96 G158 L159 F165 G166 I207 Y211 | V92-V162 HydrophobicContact CG1-CG2 4.12Å; V92-V162 WeakPolarHBondContact O-CG2 3.22Å; P96-V162 HydrophobicContact CB-CG2 4.35Å; P96-V162 HydrophobicContact CG-CG2 3.99Å; G158-V162 WeakPolarHBondContact O-CG2 3.49Å; G158-V162 PolarHBondContact O-N 3.4Å; L159-V162 PolarHBondContact O-N 2.95Å; V162-F165 PolarHBondContact O-N 3.12Å; V162-G166 PolarHBondContact O-N 3.24Å; V162-I207 HydrophobicContact CG1-CB 4.25Å; V162-I207 HydrophobicContact CG1-CD1 3.93Å; V162-I207 HydrophobicContact CG1-CG1 3.63Å; V162-I207 HydrophobicContact CG1-CG2 3.92Å; V162-Y211 HydrophobicContact CG2-CD2 3.71Å; V162-Y211 HydrophobicContact CG2-CG 4.17Å |
| 163 | C | 97.8 | Very high | 97.2 | Very high | 41 Ų | 41 | 63.5 Ų | 63.5 | 28% | 0.277 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 173 | -77.7 | 0 | 0 | 0 | 0 | 111.6 | L159 F165 G166 V167 C208 | L159-C163 VanDerWaalsContact O-CB 3.3Å; L159-C163 WeakPolarHBondContact O-CB 3.31Å; L159-C163 PolarHBondContact O-N 3.4Å; L159-C163 PolarHBondContact O-SG 2.95Å; C163-F165 VanDerWaalsContact C-N 3.32Å; C163-F165 PolarHBondContact O-N 2.86Å; C163-G166 PolarHBondContact O-N 3.36Å; C163-V167 WeakPolarHBondContact O-CB 3.37Å; C163-V167 WeakPolarHBondContact O-CG2 3.38Å; C163-V167 PolarHBondContact O-N 3.06Å; C163-C208 PolarHBondContact SG-SG 3.38Å |
| 164 | L | 98.1 | Very high | 97.4 | Very high | 130 Ų | 130 | 64 Ų | 64 | 68% | 0.681 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.4 | -43.6 | 179 | -179.4 | 63.2 | 0 | 0 | 0 | 111.2 | A160 A161 G168 | A160-L164 VanDerWaalsContact O-CB 3.31Å; A160-L164 WeakPolarHBondContact O-CB 3.4Å; A160-L164 PolarHBondContact O-N 2.98Å; A161-L164 PolarHBondContact O-N 3.31Å; L164-G168 PolarHBondContact O-N 3.49Å |
| 165 | F | 98.1 | Very high | 97.5 | Very high | 50 Ų | 50 | 60.9 Ų | 60.9 | 22% | 0.219 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61 | -49.1 | 173.9 | 177.6 | -92 | 0 | 0 | 0 | 111.7 | L42 I45 I49 L93 V97 A161 V162 C163 V167 G168 Y169 I207 | L42-F165 HydrophobicContact CD1-CE1 4.12Å; L42-F165 HydrophobicContact CD1-CZ 4.18Å; I45-F165 HydrophobicContact CG2-CE2 4.49Å; I45-F165 HydrophobicContact CG2-CZ 4.17Å; I49-F165 HydrophobicContact CD1-CE2 4.07Å; I49-F165 HydrophobicContact CD1-CZ 3.96Å; L93-F165 HydrophobicContact CD2-CD2 3.81Å; L93-F165 HydrophobicContact CD2-CE2 4.23Å; L93-F165 HydrophobicContact CD2-CG 4.17Å; V97-F165 HydrophobicContact CB-CE1 4.43Å; V97-F165 HydrophobicContact CG1-CE1 4.06Å; V97-F165 HydrophobicContact CG1-CZ 4.32Å; V97-F165 HydrophobicContact CG2-CD1 3.81Å; V97-F165 HydrophobicContact CG2-CE1 3.42Å; V97-F165 VanDerWaalsContact CG2-CE1 3.42Å; V97-F165 HydrophobicContact CG2-CZ 3.97Å; A161-F165 PolarHBondContact O-N 3.49Å; V162-F165 PolarHBondContact O-N 3.12Å; C163-F165 VanDerWaalsContact C-N 3.32Å; C163-F165 PolarHBondContact O-N 2.86Å; F165-V167 PolarHBondContact O-N 3.31Å; F165-G168 PolarHBondContact O-N 2.91Å; F165-Y169 PolarHBondContact O-N 3.24Å; F165-I207 HydrophobicContact CD1-CD1 4.38Å |
| 166 | G | 97.7 | Very high | 97.5 | Very high | 10 Ų | 10 | 55 Ų | 55 | 10% | 0.103 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.9 | -47.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V162 C163 G168 Y169 I170 | V162-G166 PolarHBondContact O-N 3.24Å; C163-G166 PolarHBondContact O-N 3.36Å; G166-G168 VanDerWaalsContact C-N 3.35Å; G166-G168 PolarHBondContact O-N 2.83Å; G166-Y169 PolarHBondContact O-N 3.5Å; G166-I170 WeakPolarHBondContact O-CG1 3.42Å; G166-I170 PolarHBondContact O-N 3.44Å |
| 167 | V | 97.8 | Very high | 97.5 | Very high | 67 Ų | 67 | 53.5 Ų | 53.5 | 41% | 0.406 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 175.3 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | C163 F165 Y169 I170 L171 | C163-V167 WeakPolarHBondContact O-CB 3.37Å; C163-V167 WeakPolarHBondContact O-CG2 3.38Å; C163-V167 PolarHBondContact O-N 3.06Å; F165-V167 PolarHBondContact O-N 3.31Å; V167-Y169 VanDerWaalsContact C-N 3.3Å; V167-Y169 PolarHBondContact O-N 3.46Å; V167-I170 PolarHBondContact O-N 2.72Å; V167-L171 HydrophobicContact CG1-CD1 4.06Å; V167-L171 HydrophobicContact CG1-CG 4.28Å; V167-L171 VanDerWaalsContact O-CG 3.31Å; V167-L171 WeakPolarHBondContact O-CG 3.1Å; V167-L171 PolarHBondContact O-N 3.32Å |
| 168 | G | 98.3 | Very high | 97.4 | Very high | 37 Ų | 37 | 51.9 Ų | 51.9 | 38% | 0.381 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.9 | -43.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L164 F165 G166 L171 W172 | L164-G168 PolarHBondContact O-N 3.49Å; F165-G168 PolarHBondContact O-N 2.91Å; G166-G168 VanDerWaalsContact C-N 3.35Å; G166-G168 PolarHBondContact O-N 2.83Å; G168-L171 PolarHBondContact O-N 2.93Å; G168-W172 WeakPolarHBondContact O-CB 3.42Å; G168-W172 PolarHBondContact O-N 2.9Å |
| 169 | Y | 98.3 | Very high | 97.4 | Very high | 26 Ų | 26 | 55.2 Ų | 55.2 | 10% | 0.102 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.4 | -35.8 | 177.1 | -177 | -107.2 | 0 | 0 | 0 | 113.4 | K40 L42 I45 F165 G166 V167 W172 T173 Y185 | K40-Y169 PolarHBondContact O-OH 2.94Å; L42-Y169 HydrophobicContact CB-CD1 4.39Å; L42-Y169 HydrophobicContact CB-CE1 3.71Å; L42-Y169 HydrophobicContact CB-CE2 4.15Å; L42-Y169 HydrophobicContact CD1-CD1 4.05Å; L42-Y169 HydrophobicContact CD1-CD2 4.07Å; L42-Y169 HydrophobicContact CD1-CE1 4.21Å; L42-Y169 HydrophobicContact CD1-CE2 4.25Å; L42-Y169 HydrophobicContact CD1-CG 3.99Å; L42-Y169 HydrophobicContact CD2-CD1 4.24Å; L42-Y169 HydrophobicContact CD2-CE1 4.15Å; L42-Y169 HydrophobicContact CG-CD1 4.46Å; L42-Y169 HydrophobicContact CG-CE1 4.24Å; L42-Y169 PolarHBondContact N-OH 2.88Å; L42-Y169 VanDerWaalsContact N-OH 3.09Å; I45-Y169 HydrophobicContact CD1-CD2 3.71Å; I45-Y169 HydrophobicContact CD1-CE2 3.67Å; F165-Y169 PolarHBondContact O-N 3.24Å; G166-Y169 PolarHBondContact O-N 3.5Å; V167-Y169 VanDerWaalsContact C-N 3.3Å; V167-Y169 PolarHBondContact O-N 3.46Å; Y169-W172 AromaticContact CE2-CD1 3.96Å; Y169-W172 WeakPolarHBondContact O-CB 3.34Å; Y169-W172 PolarHBondContact O-N 3.43Å; Y169-T173 PolarHBondContact O-N 3.39Å; Y169-T173 PolarHBondContact O-OG1 3.32Å; Y169-Y185 HydrophobicContact CE1-CE2 4.08Å; Y169-Y185 VanDerWaalsContact OH-CE2 3.27Å; Y169-Y185 WeakPolarHBondContact OH-CE2 3.22Å; Y169-Y185 PolarHBondContact OH-OH 3.34Å |
| 170 | I | 97.9 | Very high | 97.2 | Very high | 32 Ų | 32 | 55.6 Ų | 55.6 | 16% | 0.164 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.8 | -48 | 172.3 | -70.1 | 160.4 | 0 | 0 | 0 | 110.1 | G166 V167 W172 T173 C174 F200 T204 | G166-I170 WeakPolarHBondContact O-CG1 3.42Å; G166-I170 PolarHBondContact O-N 3.44Å; V167-I170 PolarHBondContact O-N 2.72Å; I170-W172 VanDerWaalsContact C-N 3.29Å; I170-W172 PolarHBondContact O-N 3.23Å; I170-T173 WeakPolarHBondContact O-CB 3.44Å; I170-T173 PolarHBondContact O-N 2.87Å; I170-T173 VanDerWaalsContact O-N 3.13Å; I170-C174 PolarHBondContact O-N 3.31Å; I170-C174 PolarHBondContact O-SG 2.92Å; I170-C174 VanDerWaalsContact O-SG 3.39Å; I170-F200 HydrophobicContact CD1-CB 3.98Å; I170-F200 HydrophobicContact CD1-CD1 4.35Å; I170-F200 HydrophobicContact CD1-CG 4.36Å; I170-F200 HydrophobicContact CG1-CB 4.46Å; I170-F200 HydrophobicContact CG1-CD1 3.94Å; I170-F200 HydrophobicContact CG1-CE1 4.49Å; I170-F200 HydrophobicContact CG1-CG 4.3Å; I170-F200 HydrophobicContact CG2-CB 4.36Å; I170-F200 HydrophobicContact CG2-CD1 4.01Å; I170-F200 HydrophobicContact CG2-CD2 3.9Å; I170-F200 HydrophobicContact CG2-CE1 4.24Å; I170-F200 HydrophobicContact CG2-CE2 4.13Å; I170-F200 HydrophobicContact CG2-CG 3.85Å; I170-F200 HydrophobicContact CG2-CZ 4.29Å; I170-T204 WeakPolarHBondContact CD1-OG1 3.38Å |
| 171 | L | 98.1 | Very high | 96.9 | Very high | 112 Ų | 112 | 55.4 Ų | 55.4 | 59% | 0.586 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -59.2 | -41.7 | 176.9 | -70 | 174.6 | 0 | 0 | 0 | 111.4 | V167 G168 C174 W175 | V167-L171 HydrophobicContact CG1-CD1 4.06Å; V167-L171 HydrophobicContact CG1-CG 4.28Å; V167-L171 VanDerWaalsContact O-CG 3.31Å; V167-L171 WeakPolarHBondContact O-CG 3.1Å; V167-L171 PolarHBondContact O-N 3.32Å; G168-L171 PolarHBondContact O-N 2.93Å; L171-C174 PolarHBondContact O-N 3.38Å; L171-W175 WeakPolarHBondContact O-CB 3.24Å; L171-W175 PolarHBondContact O-N 2.85Å |
| 172 | W | 97.9 | Very high | 96.6 | Very high | 73 Ų | 73 | 58.6 Ų | 58.6 | 28% | 0.277 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 174.2 | 174.8 | -126.6 | 0 | 0 | 0 | 112.4 | Y35 W39 G168 Y169 I170 C174 W175 V176 | Y35-W172 HydrophobicContact CE1-CH2 4.11Å; Y35-W172 HydrophobicContact CE1-CZ3 4.39Å; W39-W172 PolarHBondContact O-NE1 3.16Å; G168-W172 WeakPolarHBondContact O-CB 3.42Å; G168-W172 PolarHBondContact O-N 2.9Å; Y169-W172 AromaticContact CE2-CD1 3.96Å; Y169-W172 WeakPolarHBondContact O-CB 3.34Å; Y169-W172 PolarHBondContact O-N 3.43Å; I170-W172 VanDerWaalsContact C-N 3.29Å; I170-W172 PolarHBondContact O-N 3.23Å; W172-C174 PolarHBondContact O-N 3.5Å; W172-W175 HydrophobicContact CE3-CB 4.42Å; W172-W175 AromaticContact CE3-CD1 3.93Å; W172-W175 HydrophobicContact CE3-CG 4.48Å; W172-W175 AromaticContact CZ3-CD1 3.55Å; W172-W175 HydrophobicContact CZ3-CG 4.48Å; W172-W175 WeakPolarHBondContact O-CB 3.34Å; W172-W175 PolarHBondContact O-N 2.9Å; W172-V176 HydrophobicContact CD2-CG2 3.98Å; W172-V176 HydrophobicContact CE3-CG2 4.19Å; W172-V176 HydrophobicContact CH2-CG2 3.86Å; W172-V176 HydrophobicContact CZ2-CG2 3.64Å; W172-V176 HydrophobicContact CZ3-CG2 4.14Å; W172-V176 WeakPolarHBondContact O-CG2 3.29Å; W172-V176 PolarHBondContact O-N 3.46Å |
| 173 | T | 96.4 | Very high | 96.5 | Very high | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 177.2 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | Y169 I170 W175 V176 H177 W183 V184 L188 | Y169-T173 PolarHBondContact O-N 3.39Å; Y169-T173 PolarHBondContact O-OG1 3.32Å; I170-T173 WeakPolarHBondContact O-CB 3.44Å; I170-T173 PolarHBondContact O-N 2.87Å; I170-T173 VanDerWaalsContact O-N 3.13Å; T173-W175 VanDerWaalsContact C-N 3.35Å; T173-V176 PolarHBondContact O-N 3.45Å; T173-H177 PolarHBondContact O-N 2.95Å; T173-H177 VanDerWaalsContact O-N 3.1Å; T173-W183 HydrophobicContact CG2-CE3 4.06Å; T173-W183 HydrophobicContact CG2-CZ3 4.22Å; T173-V184 HydrophobicContact CG2-CB 4.12Å; T173-V184 HydrophobicContact CG2-CG2 4.02Å; T173-L188 HydrophobicContact CG2-CD1 3.82Å |
| 174 | C | 96.8 | Very high | 96.3 | Very high | 44 Ų | 44 | 58.7 Ų | 58.7 | 30% | 0.297 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 174.8 | -69.1 | 0 | 0 | 0 | 0 | 112 | I170 L171 W172 H177 Q178 | I170-C174 PolarHBondContact O-N 3.31Å; I170-C174 PolarHBondContact O-SG 2.92Å; I170-C174 VanDerWaalsContact O-SG 3.39Å; L171-C174 PolarHBondContact O-N 3.38Å; W172-C174 PolarHBondContact O-N 3.5Å; C174-H177 PolarHBondContact O-N 3.42Å; C174-Q178 WeakPolarHBondContact O-CB 3.39Å; C174-Q178 PolarHBondContact O-N 2.85Å |
| 175 | W | 97.6 | Very high | 96.1 | Very high | 136 Ų | 136 | 54.4 Ų | 54.4 | 52% | 0.515 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 176.5 | 179.5 | -95.1 | 0 | 0 | 0 | 112 | Y35 L171 W172 T173 H177 Q178 V179 | Y35-W175 AromaticContact CE1-CD1 3.95Å; Y35-W175 AromaticContact CE1-NE1 3.83Å; Y35-W175 AromaticContact CZ-NE1 3.84Å; Y35-W175 PolarHBondContact OH-NE1 2.87Å; L171-W175 WeakPolarHBondContact O-CB 3.24Å; L171-W175 PolarHBondContact O-N 2.85Å; W172-W175 HydrophobicContact CE3-CB 4.42Å; W172-W175 AromaticContact CE3-CD1 3.93Å; W172-W175 HydrophobicContact CE3-CG 4.48Å; W172-W175 AromaticContact CZ3-CD1 3.55Å; W172-W175 HydrophobicContact CZ3-CG 4.48Å; W172-W175 WeakPolarHBondContact O-CB 3.34Å; W172-W175 PolarHBondContact O-N 2.9Å; T173-W175 VanDerWaalsContact C-N 3.35Å; W175-H177 VanDerWaalsContact C-N 3.31Å; W175-H177 PolarHBondContact O-N 3.32Å; W175-Q178 WeakPolarHBondContact O-CB 3.36Å; W175-Q178 PolarHBondContact O-N 3.47Å; W175-Q178 VanDerWaalsContact O-N 3.12Å; W175-V179 HydrophobicContact CD2-CG2 4.44Å; W175-V179 HydrophobicContact CZ2-CG2 4.21Å; W175-V179 WeakPolarHBondContact O-CG2 3.48Å; W175-V179 PolarHBondContact O-N 2.98Å |
| 176 | V | 96.1 | Very high | 96 | Very high | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.018 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.6 | -44 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | Y35 K40 W172 T173 V179 T180 V184 | Y35-V176 HydrophobicContact CD1-CG2 4.46Å; K40-V176 HydrophobicContact CB-CG2 4.33Å; W172-V176 HydrophobicContact CD2-CG2 3.98Å; W172-V176 HydrophobicContact CE3-CG2 4.19Å; W172-V176 HydrophobicContact CH2-CG2 3.86Å; W172-V176 HydrophobicContact CZ2-CG2 3.64Å; W172-V176 HydrophobicContact CZ3-CG2 4.14Å; W172-V176 WeakPolarHBondContact O-CG2 3.29Å; W172-V176 PolarHBondContact O-N 3.46Å; T173-V176 PolarHBondContact O-N 3.45Å; V176-V179 PolarHBondContact O-N 3.43Å; V176-T180 HydrophobicContact CG1-CG2 4.42Å; V176-T180 WeakPolarHBondContact O-CB 3.28Å; V176-T180 WeakPolarHBondContact O-CG2 3.31Å; V176-T180 PolarHBondContact O-N 3.2Å; V176-T180 PolarHBondContact O-OG1 3.41Å; V176-V184 HydrophobicContact CB-CG2 4.22Å; V176-V184 HydrophobicContact CG1-CG2 3.94Å |
| 177 | H | 95.2 | Very high | 95.9 | Very high | 48 Ų | 48 | 53.9 Ų | 53.9 | 22% | 0.222 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 174.5 | 171.5 | -91.5 | 0 | 0 | 0 | 111.8 | T173 C174 W175 V179 T180 G181 W183 | T173-H177 PolarHBondContact O-N 2.95Å; T173-H177 VanDerWaalsContact O-N 3.1Å; C174-H177 PolarHBondContact O-N 3.42Å; W175-H177 VanDerWaalsContact C-N 3.31Å; W175-H177 PolarHBondContact O-N 3.32Å; H177-V179 VanDerWaalsContact C-N 3.27Å; H177-V179 PolarHBondContact O-N 2.86Å; H177-T180 PolarHBondContact O-N 3.48Å; H177-G181 VanDerWaalsContact O-CA 3.27Å; H177-G181 WeakPolarHBondContact O-CA 3.2Å; H177-G181 PolarHBondContact O-N 3.33Å; H177-W183 HydrophobicContact CB-CD2 3.93Å; H177-W183 HydrophobicContact CB-CE3 3.73Å; H177-W183 HydrophobicContact CB-CH2 4.15Å; H177-W183 HydrophobicContact CB-CZ2 4.31Å; H177-W183 HydrophobicContact CB-CZ3 3.86Å; H177-W183 AromaticContact CD2-CD1 3.48Å; H177-W183 VanDerWaalsContact CD2-CD1 3.48Å; H177-W183 AromaticContact CD2-CD2 3.56Å; H177-W183 AromaticContact CD2-CE2 3.33Å; H177-W183 AromaticContact CD2-CG 3.67Å; H177-W183 AromaticContact CD2-CZ2 3.9Å; H177-W183 AromaticContact CD2-NE1 3.24Å; H177-W183 PolarHBondContact CD2-NE1 3.15Å; H177-W183 AromaticContact CE1-CE2 3.99Å; H177-W183 AromaticContact CE1-CZ2 3.9Å; H177-W183 AromaticContact CE1-NE1 3.98Å; H177-W183 AromaticContact CG-CD2 3.75Å; H177-W183 AromaticContact CG-CE2 3.56Å; H177-W183 AromaticContact CG-CZ2 3.72Å; H177-W183 AromaticContact CG-NE1 3.96Å; H177-W183 AromaticContact ND1-CE2 3.97Å; H177-W183 AromaticContact ND1-CZ2 3.72Å; H177-W183 AromaticContact NE2-CD1 3.81Å; H177-W183 AromaticContact NE2-CE2 3.6Å; H177-W183 AromaticContact NE2-CZ2 4Å; H177-W183 AromaticContact NE2-NE1 3.25Å; H177-W183 PolarHBondContact NE2-NE1 3.43Å |
| 178 | Q | 95.6 | Very high | 95.8 | Very high | 150 Ų | 150 | 50.8 Ų | 50.8 | 70% | 0.701 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -59.7 | -37.3 | 178.3 | -174.4 | 63.6 | 21.1 | 0 | 0 | 112.5 | C174 W175 | C174-Q178 WeakPolarHBondContact O-CB 3.39Å; C174-Q178 PolarHBondContact O-N 2.85Å; W175-Q178 WeakPolarHBondContact O-CB 3.36Å; W175-Q178 PolarHBondContact O-N 3.47Å; W175-Q178 VanDerWaalsContact O-N 3.12Å |
| 179 | V | 95.8 | Very high | 95.6 | Very high | 70 Ų | 70 | 54.2 Ų | 54.2 | 42% | 0.424 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -80.5 | -36.5 | -179.2 | 174.3 | 0 | 0 | 0 | 0 | 112.5 | Y35 W175 V176 H177 | Y35-V179 HydrophobicContact CD1-CB 4.06Å; Y35-V179 HydrophobicContact CD1-CG1 3.8Å; Y35-V179 HydrophobicContact CD2-CG1 4.1Å; Y35-V179 HydrophobicContact CE1-CB 4.04Å; Y35-V179 HydrophobicContact CE1-CG1 3.97Å; Y35-V179 HydrophobicContact CE1-CG2 4.04Å; Y35-V179 HydrophobicContact CE2-CG1 4.25Å; Y35-V179 HydrophobicContact CG-CG1 3.86Å; W175-V179 HydrophobicContact CD2-CG2 4.44Å; W175-V179 HydrophobicContact CZ2-CG2 4.21Å; W175-V179 WeakPolarHBondContact O-CG2 3.48Å; W175-V179 PolarHBondContact O-N 2.98Å; V176-V179 PolarHBondContact O-N 3.43Å; H177-V179 VanDerWaalsContact C-N 3.27Å; H177-V179 PolarHBondContact O-N 2.86Å |
| 180 | T | 93.6 | Very high | 95.4 | Very high | 55 Ų | 55 | 59.8 Ų | 59.8 | 34% | 0.337 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -106 | -17.2 | -170.2 | 63.1 | 0 | 0 | 0 | 0 | 114.6 | Y35 V176 H177 V182 | Y35-T180 HydrophobicContact CD1-CG2 4.31Å; Y35-T180 HydrophobicContact CG-CG2 4.36Å; V176-T180 HydrophobicContact CG1-CG2 4.42Å; V176-T180 WeakPolarHBondContact O-CB 3.28Å; V176-T180 WeakPolarHBondContact O-CG2 3.31Å; V176-T180 PolarHBondContact O-N 3.2Å; V176-T180 PolarHBondContact O-OG1 3.41Å; H177-T180 PolarHBondContact O-N 3.48Å; T180-V182 PolarHBondContact O-N 3Å; T180-V182 PolarHBondContact OG1-N 3.24Å; T180-V182 PolarHBondContact OG1-O 3.47Å |
| 181 | G | 93.2 | Very high | 95.3 | Very high | 51 Ų | 51 | 60.4 Ų | 60.4 | 53% | 0.526 | 31% | 0.307 | S | S | . | . | S | Bend | trans | 71.9 | 6.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | H177 | H177-G181 VanDerWaalsContact O-CA 3.27Å; H177-G181 WeakPolarHBondContact O-CA 3.2Å; H177-G181 PolarHBondContact O-N 3.33Å |
| 182 | V | 91.4 | Very high | 95.2 | Very high | 93 Ų | 93 | 59.4 Ų | 59.4 | 56% | 0.564 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -125.8 | 131 | -175.4 | -179.4 | 0 | 0 | 0 | 0 | 110.4 | T180 | T180-V182 PolarHBondContact O-N 3Å; T180-V182 PolarHBondContact OG1-N 3.24Å; T180-V182 PolarHBondContact OG1-O 3.47Å |
| 183 | W | 94.6 | Very high | 95.1 | Very high | 29 Ų | 29 | 60.2 Ų | 60.2 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | trans | -71.6 | 142.7 | 173.6 | -71.9 | 102.8 | 0 | 0 | 0 | 111.9 | T173 H177 Y185 L188 E189 F200 | T173-W183 HydrophobicContact CG2-CE3 4.06Å; T173-W183 HydrophobicContact CG2-CZ3 4.22Å; H177-W183 HydrophobicContact CB-CD2 3.93Å; H177-W183 HydrophobicContact CB-CE3 3.73Å; H177-W183 HydrophobicContact CB-CH2 4.15Å; H177-W183 HydrophobicContact CB-CZ2 4.31Å; H177-W183 HydrophobicContact CB-CZ3 3.86Å; H177-W183 AromaticContact CD2-CD1 3.48Å; H177-W183 VanDerWaalsContact CD2-CD1 3.48Å; H177-W183 AromaticContact CD2-CD2 3.56Å; H177-W183 AromaticContact CD2-CE2 3.33Å; H177-W183 AromaticContact CD2-CG 3.67Å; H177-W183 AromaticContact CD2-CZ2 3.9Å; H177-W183 AromaticContact CD2-NE1 3.24Å; H177-W183 PolarHBondContact CD2-NE1 3.15Å; H177-W183 AromaticContact CE1-CE2 3.99Å; H177-W183 AromaticContact CE1-CZ2 3.9Å; H177-W183 AromaticContact CE1-NE1 3.98Å; H177-W183 AromaticContact CG-CD2 3.75Å; H177-W183 AromaticContact CG-CE2 3.56Å; H177-W183 AromaticContact CG-CZ2 3.72Å; H177-W183 AromaticContact CG-NE1 3.96Å; H177-W183 AromaticContact ND1-CE2 3.97Å; H177-W183 AromaticContact ND1-CZ2 3.72Å; H177-W183 AromaticContact NE2-CD1 3.81Å; H177-W183 AromaticContact NE2-CE2 3.6Å; H177-W183 AromaticContact NE2-CZ2 4Å; H177-W183 AromaticContact NE2-NE1 3.25Å; H177-W183 PolarHBondContact NE2-NE1 3.43Å; W183-Y185 PolarHBondContact O-N 3.15Å; W183-L188 HydrophobicContact CB-CB 3.86Å; W183-L188 HydrophobicContact CD2-CB 3.67Å; W183-L188 HydrophobicContact CD2-CD1 4.11Å; W183-L188 HydrophobicContact CE3-CB 3.97Å; W183-L188 HydrophobicContact CE3-CD1 3.51Å; W183-L188 HydrophobicContact CE3-CG 4.37Å; W183-L188 HydrophobicContact CG-CB 3.61Å; W183-L188 HydrophobicContact CZ3-CD1 4.09Å; W183-E189 VanDerWaalsContact CD1-OE2 3.27Å; W183-F200 HydrophobicContact CZ3-CZ 4.3Å | ||
| 184 | V | 93.2 | Very high | 95.1 | Very high | 13 Ų | 13 | 66.8 Ų | 66.8 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -58.7 | -38.9 | 175.1 | 175.8 | 0 | 0 | 0 | 0 | 111.8 | K40 F41 T173 V176 | K40-V184 HydrophobicContact CB-CG1 4.38Å; K40-V184 HydrophobicContact CB-CG2 3.9Å; K40-V184 HydrophobicContact CD-CG2 4.46Å; K40-V184 HydrophobicContact CG-CG1 4.12Å; K40-V184 HydrophobicContact CG-CG2 4.23Å; K40-V184 WeakPolarHBondContact O-CG1 3.24Å; F41-V184 HydrophobicContact CD1-CG1 3.82Å; F41-V184 HydrophobicContact CE1-CG1 4.07Å; T173-V184 HydrophobicContact CG2-CB 4.12Å; T173-V184 HydrophobicContact CG2-CG2 4.02Å; V176-V184 HydrophobicContact CB-CG2 4.22Å; V176-V184 HydrophobicContact CG1-CG2 3.94Å |
| 185 | Y | 95 | Very high | 95.1 | Very high | 40 Ų | 40 | 66.5 Ų | 66.5 | 16% | 0.157 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -116.3 | 128.3 | -178.6 | -57.5 | -73.4 | 0 | 0 | 0 | 110.6 | L42 V116 Y169 W183 V187 L188 | L42-Y185 VanDerWaalsContact CB-OH 3.29Å; L42-Y185 WeakPolarHBondContact CB-OH 3.48Å; L42-Y185 PolarHBondContact N-OH 2.86Å; V116-Y185 HydrophobicContact CG2-CD1 4.38Å; Y169-Y185 HydrophobicContact CE1-CE2 4.08Å; Y169-Y185 VanDerWaalsContact OH-CE2 3.27Å; Y169-Y185 WeakPolarHBondContact OH-CE2 3.22Å; Y169-Y185 PolarHBondContact OH-OH 3.34Å; W183-Y185 PolarHBondContact O-N 3.15Å; Y185-V187 PolarHBondContact O-N 2.73Å; Y185-V187 VanDerWaalsContact O-N 3.13Å; Y185-L188 HydrophobicContact CD2-CD1 4.36Å; Y185-L188 WeakPolarHBondContact O-CB 3.21Å; Y185-L188 PolarHBondContact O-N 3.45Å |
| 186 | P | 94.9 | Very high | 95 | Very high | 37 Ų | 37 | 62.1 Ų | 62.1 | 24% | 0.24 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -55.3 | -30.7 | 179.4 | -27.4 | 33.6 | 0 | 0 | 0 | 114.6 | E114 L115 P118 L188 E189 R190 | E114-P186 VanDerWaalsContact O-CB 3.24Å; E114-P186 WeakPolarHBondContact O-CB 3.35Å; L115-P186 WeakPolarHBondContact O-CD 3.47Å; P118-P186 HydrophobicContact CG-CG 3.91Å; P186-L188 PolarHBondContact O-N 3.01Å; P186-E189 WeakPolarHBondContact O-CB 3.3Å; P186-E189 PolarHBondContact O-N 3.32Å; P186-E189 VanDerWaalsContact O-N 3.07Å; P186-R190 PolarHBondContact O-N 3.3Å |
| 187 | V | 96.3 | Very high | 95.1 | Very high | 13 Ų | 13 | 66.2 Ų | 66.2 | 8% | 0.079 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -53.5 | -36.9 | 175 | 67.8 | 0 | 0 | 0 | 0 | 112.7 | L115 Y185 E189 R190 I191 F199 | L115-V187 HydrophobicContact CB-CB 4.14Å; L115-V187 HydrophobicContact CD2-CB 4.3Å; L115-V187 HydrophobicContact CD2-CG2 4.35Å; L115-V187 PolarHBondContact O-N 3.28Å; Y185-V187 PolarHBondContact O-N 2.73Å; Y185-V187 VanDerWaalsContact O-N 3.13Å; V187-E189 VanDerWaalsContact C-N 3.34Å; V187-R190 PolarHBondContact O-N 3.5Å; V187-I191 WeakPolarHBondContact O-CG1 3.39Å; V187-F199 HydrophobicContact CG1-CE1 4.29Å; V187-F199 HydrophobicContact CG1-CE2 4.43Å; V187-F199 HydrophobicContact CG1-CZ 3.89Å; V187-F199 HydrophobicContact CG2-CE2 4.08Å; V187-F199 HydrophobicContact CG2-CZ 4.37Å |
| 188 | L | 96.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.01 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -73.2 | -29.4 | -178.4 | -60.6 | 177.3 | 0 | 0 | 0 | 111.7 | T173 W183 Y185 P186 R190 I191 R196 F199 F200 | T173-L188 HydrophobicContact CG2-CD1 3.82Å; W183-L188 HydrophobicContact CB-CB 3.86Å; W183-L188 HydrophobicContact CD2-CB 3.67Å; W183-L188 HydrophobicContact CD2-CD1 4.11Å; W183-L188 HydrophobicContact CE3-CB 3.97Å; W183-L188 HydrophobicContact CE3-CD1 3.51Å; W183-L188 HydrophobicContact CE3-CG 4.37Å; W183-L188 HydrophobicContact CG-CB 3.61Å; W183-L188 HydrophobicContact CZ3-CD1 4.09Å; Y185-L188 HydrophobicContact CD2-CD1 4.36Å; Y185-L188 WeakPolarHBondContact O-CB 3.21Å; Y185-L188 PolarHBondContact O-N 3.45Å; P186-L188 PolarHBondContact O-N 3.01Å; L188-R190 VanDerWaalsContact C-N 3.34Å; L188-I191 HydrophobicContact CD2-CD1 4.24Å; L188-R196 VanDerWaalsContact O-CZ 3.23Å; L188-R196 PolarHBondContact O-NE 2.93Å; L188-R196 PolarHBondContact O-NH2 2.96Å; L188-F199 HydrophobicContact CD2-CD1 3.74Å; L188-F199 HydrophobicContact CD2-CE1 3.94Å; L188-F200 HydrophobicContact CD1-CE1 4.01Å; L188-F200 HydrophobicContact CD1-CZ 3.99Å; L188-F200 HydrophobicContact CD2-CE1 3.8Å; L188-F200 HydrophobicContact CD2-CZ 3.92Å |
| 189 | E | 94.8 | Very high | 95.3 | Very high | 109 Ų | 109 | 62 Ų | 62 | 51% | 0.509 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.1 | -39.8 | 173.8 | -168.1 | 62.5 | -128 | 0 | 0 | 110.9 | W183 P186 V187 I191 | W183-E189 VanDerWaalsContact CD1-OE2 3.27Å; P186-E189 WeakPolarHBondContact O-CB 3.3Å; P186-E189 PolarHBondContact O-N 3.32Å; P186-E189 VanDerWaalsContact O-N 3.07Å; V187-E189 VanDerWaalsContact C-N 3.34Å; E189-I191 VanDerWaalsContact C-N 3.34Å; E189-I191 PolarHBondContact O-N 3.49Å |
| 190 | R | 93.7 | Very high | 95.4 | Very high | 143 Ų | 143 | 60.2 Ų | 60.2 | 54% | 0.54 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -78.8 | -9.7 | -172 | -63.6 | -173.3 | -173.7 | 178.1 | 2.2 | 115.2 | D112 E114 P186 V187 L188 | D112-R190 IonicContact OD2-NH1 2.74Å; D112-R190 PolarHBondContact OD2-NH1 2.96Å; E114-R190 VanDerWaalsContact CB-NH2 3.32Å; P186-R190 PolarHBondContact O-N 3.3Å; V187-R190 PolarHBondContact O-N 3.5Å; L188-R190 VanDerWaalsContact C-N 3.34Å |
| 191 | I | 95.2 | Very high | 95.6 | Very high | 45 Ų | 45 | 61 Ų | 61 | 23% | 0.231 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -113.7 | 148.6 | -174.2 | 64.5 | 177.8 | 0 | 0 | 0 | 112 | V187 L188 E189 A195 R196 F199 | V187-I191 WeakPolarHBondContact O-CG1 3.39Å; L188-I191 HydrophobicContact CD2-CD1 4.24Å; E189-I191 VanDerWaalsContact C-N 3.34Å; E189-I191 PolarHBondContact O-N 3.49Å; I191-A195 HydrophobicContact CB-CB 3.95Å; I191-R196 HydrophobicContact CD1-CB 4.37Å; I191-R196 HydrophobicContact CD1-CG 3.79Å; I191-R196 HydrophobicContact CG1-CG 3.59Å; I191-R196 PolarHBondContact O-NE 2.83Å; I191-R196 PolarHBondContact O-NH2 3.33Å; I191-F199 HydrophobicContact CD1-CB 3.94Å; I191-F199 HydrophobicContact CD1-CG 4.2Å |
| 192 | T | 96.4 | Very high | 95.8 | Very high | 90 Ų | 90 | 60.9 Ų | 60.9 | 55% | 0.552 | 34% | 0.341 | S | S | * | . | trans | -66.1 | 159.3 | 179.4 | 65.8 | 0 | 0 | 0 | 0 | 111.6 | L194 A195 R196 | T192-L194 VanDerWaalsContact C-N 3.27Å; T192-L194 PolarHBondContact O-N 3.48Å; T192-A195 CarbonylContact O-C 3.56Å; T192-A195 WeakPolarHBondContact O-CA 3.18Å; T192-A195 WeakPolarHBondContact O-CB 3.31Å; T192-A195 PolarHBondContact O-N 3.43Å; T192-A195 WeakPolarHBondContact OG1-CB 3.3Å; T192-A195 PolarHBondContact OG1-N 2.83Å; T192-R196 WeakPolarHBondContact O-CG 3.48Å; T192-R196 PolarHBondContact O-N 3.38Å | ||
| 193 | P | 95.2 | Very high | 96.1 | Very high | 91 Ų | 91 | 58.4 Ų | 58.4 | 59% | 0.591 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -53.5 | -40.5 | 178.8 | -27.7 | 34.9 | 0 | 0 | 0 | 114.2 | R196 V197 | P193-R196 WeakPolarHBondContact O-CB 3.45Å; P193-R196 PolarHBondContact O-N 2.84Å; P193-V197 PolarHBondContact O-N 3.31Å |
| 194 | L | 95.9 | Very high | 96.2 | Very high | 141 Ų | 141 | 58.4 Ų | 58.4 | 74% | 0.738 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.2 | -42 | 176.4 | -177.4 | 61.1 | 0 | 0 | 0 | 111.6 | T192 R196 V197 A198 | T192-L194 VanDerWaalsContact C-N 3.27Å; T192-L194 PolarHBondContact O-N 3.48Å; L194-R196 VanDerWaalsContact C-N 3.29Å; L194-R196 PolarHBondContact O-N 3.35Å; L194-V197 PolarHBondContact O-N 3.39Å; L194-A198 PolarHBondContact O-N 2.99Å |
| 195 | A | 96.6 | Very high | 96.5 | Very high | 37 Ų | 37 | 60.2 Ų | 60.2 | 31% | 0.306 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.1 | -30.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I191 T192 A198 F199 | I191-A195 HydrophobicContact CB-CB 3.95Å; T192-A195 CarbonylContact O-C 3.56Å; T192-A195 WeakPolarHBondContact O-CA 3.18Å; T192-A195 WeakPolarHBondContact O-CB 3.31Å; T192-A195 PolarHBondContact O-N 3.43Å; T192-A195 WeakPolarHBondContact OG1-CB 3.3Å; T192-A195 PolarHBondContact OG1-N 2.83Å; A195-A198 PolarHBondContact O-N 2.95Å; A195-F199 VanDerWaalsContact O-CB 3.27Å; A195-F199 WeakPolarHBondContact O-CB 3.35Å; A195-F199 PolarHBondContact O-N 3Å |
| 196 | R | 97.1 | Very high | 96.6 | Very high | 45 Ų | 45 | 59.7 Ų | 59.7 | 17% | 0.17 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 172.5 | -64.4 | 176.3 | -175 | 126.3 | 2.6 | 111.9 | L188 I191 T192 P193 L194 A198 F199 F200 | L188-R196 VanDerWaalsContact O-CZ 3.23Å; L188-R196 PolarHBondContact O-NE 2.93Å; L188-R196 PolarHBondContact O-NH2 2.96Å; I191-R196 HydrophobicContact CD1-CB 4.37Å; I191-R196 HydrophobicContact CD1-CG 3.79Å; I191-R196 HydrophobicContact CG1-CG 3.59Å; I191-R196 PolarHBondContact O-NE 2.83Å; I191-R196 PolarHBondContact O-NH2 3.33Å; T192-R196 WeakPolarHBondContact O-CG 3.48Å; T192-R196 PolarHBondContact O-N 3.38Å; P193-R196 WeakPolarHBondContact O-CB 3.45Å; P193-R196 PolarHBondContact O-N 2.84Å; L194-R196 VanDerWaalsContact C-N 3.29Å; L194-R196 PolarHBondContact O-N 3.35Å; R196-A198 VanDerWaalsContact C-N 3.34Å; R196-A198 PolarHBondContact O-N 2.9Å; R196-F199 PolarHBondContact O-N 3.39Å; R196-F200 HydrophobicContact CB-CE2 4.26Å; R196-F200 WeakPolarHBondContact O-CD2 3.36Å; R196-F200 WeakPolarHBondContact O-CG 3.34Å; R196-F200 PolarHBondContact O-N 3.41Å |
| 197 | V | 96.9 | Very high | 96.8 | Very high | 89 Ų | 89 | 58.2 Ų | 58.2 | 54% | 0.539 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 177.2 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | P193 L194 F200 S201 | P193-V197 PolarHBondContact O-N 3.31Å; L194-V197 PolarHBondContact O-N 3.39Å; V197-F200 PolarHBondContact O-N 3.4Å; V197-S201 WeakPolarHBondContact O-CB 3.25Å; V197-S201 PolarHBondContact O-N 2.99Å; V197-S201 PolarHBondContact O-OG 3.22Å |
| 198 | A | 97.9 | Very high | 96.9 | Very high | 61 Ų | 61 | 58.8 Ų | 58.8 | 50% | 0.504 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L194 A195 R196 S201 A202 | L194-A198 PolarHBondContact O-N 2.99Å; A195-A198 PolarHBondContact O-N 2.95Å; R196-A198 VanDerWaalsContact C-N 3.34Å; R196-A198 PolarHBondContact O-N 2.9Å; A198-S201 PolarHBondContact O-N 3.47Å; A198-A202 WeakPolarHBondContact O-CB 3.48Å; A198-A202 PolarHBondContact O-N 3.22Å |
| 199 | F | 97 | Very high | 97 | Very high | 47 Ų | 47 | 63.1 Ų | 63.1 | 21% | 0.206 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61 | -48.4 | 177.2 | -176.7 | -92.1 | 0 | 0 | 0 | 111.9 | V187 L188 I191 A195 R196 S201 A202 M203 | V187-F199 HydrophobicContact CG1-CE1 4.29Å; V187-F199 HydrophobicContact CG1-CE2 4.43Å; V187-F199 HydrophobicContact CG1-CZ 3.89Å; V187-F199 HydrophobicContact CG2-CE2 4.08Å; V187-F199 HydrophobicContact CG2-CZ 4.37Å; L188-F199 HydrophobicContact CD2-CD1 3.74Å; L188-F199 HydrophobicContact CD2-CE1 3.94Å; I191-F199 HydrophobicContact CD1-CB 3.94Å; I191-F199 HydrophobicContact CD1-CG 4.2Å; A195-F199 VanDerWaalsContact O-CB 3.27Å; A195-F199 WeakPolarHBondContact O-CB 3.35Å; A195-F199 PolarHBondContact O-N 3Å; R196-F199 PolarHBondContact O-N 3.39Å; F199-S201 VanDerWaalsContact C-N 3.33Å; F199-S201 PolarHBondContact O-N 3.47Å; F199-A202 PolarHBondContact O-N 3.3Å; F199-M203 HydrophobicContact CD1-CG 4.08Å; F199-M203 HydrophobicContact CD2-CE 4.21Å; F199-M203 HydrophobicContact CE1-CE 4.44Å; F199-M203 HydrophobicContact CE1-CG 3.74Å; F199-M203 HydrophobicContact CE2-CE 3.69Å; F199-M203 HydrophobicContact CZ-CE 3.82Å; F199-M203 HydrophobicContact CZ-CG 4.03Å; F199-M203 HydrophobicContact CZ-SD 4.24Å; F199-M203 WeakPolarHBondContact O-CG 3.39Å; F199-M203 PolarHBondContact O-N 3.35Å |
| 200 | F | 97.8 | Very high | 97.2 | Very high | 33 Ų | 33 | 59 Ų | 59 | 15% | 0.145 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 176.9 | -68.6 | -39 | 0 | 0 | 0 | 112.7 | I170 W183 L188 R196 V197 M203 T204 | I170-F200 HydrophobicContact CD1-CB 3.98Å; I170-F200 HydrophobicContact CD1-CD1 4.35Å; I170-F200 HydrophobicContact CD1-CG 4.36Å; I170-F200 HydrophobicContact CG1-CB 4.46Å; I170-F200 HydrophobicContact CG1-CD1 3.94Å; I170-F200 HydrophobicContact CG1-CE1 4.49Å; I170-F200 HydrophobicContact CG1-CG 4.3Å; I170-F200 HydrophobicContact CG2-CB 4.36Å; I170-F200 HydrophobicContact CG2-CD1 4.01Å; I170-F200 HydrophobicContact CG2-CD2 3.9Å; I170-F200 HydrophobicContact CG2-CE1 4.24Å; I170-F200 HydrophobicContact CG2-CE2 4.13Å; I170-F200 HydrophobicContact CG2-CG 3.85Å; I170-F200 HydrophobicContact CG2-CZ 4.29Å; W183-F200 HydrophobicContact CZ3-CZ 4.3Å; L188-F200 HydrophobicContact CD1-CE1 4.01Å; L188-F200 HydrophobicContact CD1-CZ 3.99Å; L188-F200 HydrophobicContact CD2-CE1 3.8Å; L188-F200 HydrophobicContact CD2-CZ 3.92Å; R196-F200 HydrophobicContact CB-CE2 4.26Å; R196-F200 WeakPolarHBondContact O-CD2 3.36Å; R196-F200 WeakPolarHBondContact O-CG 3.34Å; R196-F200 PolarHBondContact O-N 3.41Å; V197-F200 PolarHBondContact O-N 3.4Å; F200-M203 PolarHBondContact O-N 2.84Å; F200-T204 WeakPolarHBondContact O-CB 3.41Å; F200-T204 PolarHBondContact O-N 2.98Å; F200-T204 PolarHBondContact O-OG1 3.39Å |
| 201 | S | 97.6 | Very high | 97.4 | Very high | 72 Ų | 72 | 52.2 Ų | 52.2 | 50% | 0.503 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 174.6 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | V197 A198 F199 T204 A205 | V197-S201 WeakPolarHBondContact O-CB 3.25Å; V197-S201 PolarHBondContact O-N 2.99Å; V197-S201 PolarHBondContact O-OG 3.22Å; A198-S201 PolarHBondContact O-N 3.47Å; F199-S201 VanDerWaalsContact C-N 3.33Å; F199-S201 PolarHBondContact O-N 3.47Å; S201-T204 PolarHBondContact O-N 3.28Å; S201-A205 PolarHBondContact O-N 3.24Å |
| 202 | A | 97.9 | Very high | 97.5 | Very high | 48 Ų | 48 | 52 Ų | 52 | 40% | 0.397 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A198 F199 T204 A205 V206 | A198-A202 WeakPolarHBondContact O-CB 3.48Å; A198-A202 PolarHBondContact O-N 3.22Å; F199-A202 PolarHBondContact O-N 3.3Å; A202-T204 VanDerWaalsContact C-N 3.3Å; A202-T204 PolarHBondContact O-N 3.4Å; A202-A205 WeakPolarHBondContact O-CB 3.42Å; A202-A205 PolarHBondContact O-N 2.81Å; A202-A205 VanDerWaalsContact O-N 3.14Å; A202-V206 WeakPolarHBondContact O-CG2 3.31Å; A202-V206 PolarHBondContact O-N 2.59Å |
| 203 | M | 97.6 | Very high | 97.6 | Very high | 42 Ų | 42 | 51.8 Ų | 51.8 | 21% | 0.207 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 176.6 | -68 | -56.4 | 128.6 | 0 | 0 | 112.2 | F100 T104 F199 F200 A205 V206 I207 | F100-M203 HydrophobicContact CE2-CB 4.17Å; F100-M203 WeakPolarHBondContact CE2-O 3.45Å; F100-M203 HydrophobicContact CE2-SD 4.04Å; F100-M203 HydrophobicContact CZ-CB 3.96Å; F100-M203 HydrophobicContact CZ-CG 4.29Å; F100-M203 HydrophobicContact CZ-SD 3.84Å; T104-M203 HydrophobicContact CG2-SD 3.84Å; F199-M203 HydrophobicContact CD1-CG 4.08Å; F199-M203 HydrophobicContact CD2-CE 4.21Å; F199-M203 HydrophobicContact CE1-CE 4.44Å; F199-M203 HydrophobicContact CE1-CG 3.74Å; F199-M203 HydrophobicContact CE2-CE 3.69Å; F199-M203 HydrophobicContact CZ-CE 3.82Å; F199-M203 HydrophobicContact CZ-CG 4.03Å; F199-M203 HydrophobicContact CZ-SD 4.24Å; F199-M203 WeakPolarHBondContact O-CG 3.39Å; F199-M203 PolarHBondContact O-N 3.35Å; F200-M203 PolarHBondContact O-N 2.84Å; M203-A205 VanDerWaalsContact C-N 3.35Å; M203-V206 PolarHBondContact O-N 3.48Å; M203-I207 PolarHBondContact O-N 3.31Å |
| 204 | T | 97.8 | Very high | 97.7 | Very high | 28 Ų | 28 | 47.4 Ų | 47.4 | 17% | 0.172 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.8 | -40 | 174.6 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | I170 F200 S201 A202 I207 C208 | I170-T204 WeakPolarHBondContact CD1-OG1 3.38Å; F200-T204 WeakPolarHBondContact O-CB 3.41Å; F200-T204 PolarHBondContact O-N 2.98Å; F200-T204 PolarHBondContact O-OG1 3.39Å; S201-T204 PolarHBondContact O-N 3.28Å; A202-T204 VanDerWaalsContact C-N 3.3Å; A202-T204 PolarHBondContact O-N 3.4Å; T204-I207 VanDerWaalsContact O-CG2 3.22Å; T204-I207 WeakPolarHBondContact O-CG2 3.3Å; T204-C208 PolarHBondContact O-N 3.42Å; T204-C208 PolarHBondContact O-SG 3.36Å |
| 205 | A | 98.3 | Very high | 97.7 | Very high | 51 Ų | 51 | 42.4 Ų | 42.4 | 42% | 0.421 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S201 A202 M203 C208 I209 | S201-A205 PolarHBondContact O-N 3.24Å; A202-A205 WeakPolarHBondContact O-CB 3.42Å; A202-A205 PolarHBondContact O-N 2.81Å; A202-A205 VanDerWaalsContact O-N 3.14Å; M203-A205 VanDerWaalsContact C-N 3.35Å; A205-C208 WeakPolarHBondContact O-CB 3.4Å; A205-C208 PolarHBondContact O-N 3.34Å; A205-I209 WeakPolarHBondContact O-CG1 3.37Å; A205-I209 PolarHBondContact O-N 3.4Å |
| 206 | V | 98.3 | Very high | 97.7 | Very high | 29 Ų | 29 | 45.3 Ų | 45.3 | 18% | 0.176 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.5 | -46 | 178.8 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | F100 F103 A202 M203 C208 I209 M210 | F100-V206 HydrophobicContact CD2-CB 4.25Å; F100-V206 HydrophobicContact CD2-CG1 3.81Å; F100-V206 HydrophobicContact CE2-CB 4.08Å; F100-V206 HydrophobicContact CE2-CG1 4.01Å; F103-V206 HydrophobicContact CD1-CG1 3.88Å; F103-V206 HydrophobicContact CE1-CG1 3.99Å; A202-V206 WeakPolarHBondContact O-CG2 3.31Å; A202-V206 PolarHBondContact O-N 2.59Å; M203-V206 PolarHBondContact O-N 3.48Å; V206-C208 VanDerWaalsContact C-N 3.29Å; V206-C208 PolarHBondContact O-N 3.07Å; V206-I209 WeakPolarHBondContact O-CB 3.41Å; V206-I209 PolarHBondContact O-N 3.15Å; V206-I209 VanDerWaalsContact O-N 3.12Å; V206-M210 HydrophobicContact CG1-CE 4.01Å; V206-M210 WeakPolarHBondContact O-CG 3.49Å; V206-M210 PolarHBondContact O-N 2.9Å |
| 207 | I | 98.3 | Very high | 97.6 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.5 | -32.7 | 178.7 | -162.9 | 175.9 | 0 | 0 | 0 | 112.2 | P96 V97 F100 V162 F165 M203 T204 M210 Y211 | P96-I207 HydrophobicContact CB-CG1 4.35Å; V97-I207 HydrophobicContact CG2-CD1 4.21Å; F100-I207 HydrophobicContact CB-CB 4.46Å; F100-I207 HydrophobicContact CB-CG1 4.12Å; F100-I207 HydrophobicContact CD2-CB 3.7Å; F100-I207 HydrophobicContact CD2-CG1 4.25Å; F100-I207 HydrophobicContact CE2-CB 4.21Å; F100-I207 HydrophobicContact CG-CB 4.18Å; F100-I207 HydrophobicContact CG-CD1 4.49Å; F100-I207 HydrophobicContact CG-CG1 4.23Å; V162-I207 HydrophobicContact CG1-CB 4.25Å; V162-I207 HydrophobicContact CG1-CD1 3.93Å; V162-I207 HydrophobicContact CG1-CG1 3.63Å; V162-I207 HydrophobicContact CG1-CG2 3.92Å; F165-I207 HydrophobicContact CD1-CD1 4.38Å; M203-I207 PolarHBondContact O-N 3.31Å; T204-I207 VanDerWaalsContact O-CG2 3.22Å; T204-I207 WeakPolarHBondContact O-CG2 3.3Å; I207-M210 PolarHBondContact O-N 2.8Å; I207-Y211 PolarHBondContact O-N 2.65Å |
| 208 | C | 98.3 | Very high | 97.4 | Very high | 25 Ų | 25 | 42 Ų | 42 | 17% | 0.169 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.7 | -40.9 | 171.3 | -67.2 | 0 | 0 | 0 | 0 | 112.2 | L159 C163 T204 A205 V206 M210 Y211 V212 | L159-C208 HydrophobicContact CD2-CB 3.85Å; C163-C208 PolarHBondContact SG-SG 3.38Å; T204-C208 PolarHBondContact O-N 3.42Å; T204-C208 PolarHBondContact O-SG 3.36Å; A205-C208 WeakPolarHBondContact O-CB 3.4Å; A205-C208 PolarHBondContact O-N 3.34Å; V206-C208 VanDerWaalsContact C-N 3.29Å; V206-C208 PolarHBondContact O-N 3.07Å; C208-M210 VanDerWaalsContact C-N 3.32Å; C208-Y211 WeakPolarHBondContact O-CB 3.32Å; C208-Y211 PolarHBondContact O-N 2.84Å; C208-V212 PolarHBondContact O-N 2.91Å; C208-V212 VanDerWaalsContact O-N 3.15Å |
| 209 | I | 98.4 | Very high | 97.2 | Very high | 94 Ų | 94 | 39.9 Ų | 39.9 | 48% | 0.482 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61 | -44.2 | 173.6 | -69.7 | 159.5 | 0 | 0 | 0 | 109.8 | A205 V206 Y211 V212 L213 | A205-I209 WeakPolarHBondContact O-CG1 3.37Å; A205-I209 PolarHBondContact O-N 3.4Å; V206-I209 WeakPolarHBondContact O-CB 3.41Å; V206-I209 PolarHBondContact O-N 3.15Å; V206-I209 VanDerWaalsContact O-N 3.12Å; I209-Y211 VanDerWaalsContact C-N 3.31Å; I209-Y211 PolarHBondContact O-N 2.73Å; I209-V212 PolarHBondContact O-N 2.89Å; I209-V212 VanDerWaalsContact O-N 3.15Å; I209-L213 HydrophobicContact CG2-CD1 3.87Å; I209-L213 HydrophobicContact CG2-CG 4.15Å; I209-L213 WeakPolarHBondContact O-CG 3.42Å; I209-L213 PolarHBondContact O-N 3.29Å |
| 210 | M | 98.2 | Very high | 96.9 | Very high | 23 Ų | 23 | 44.4 Ų | 44.4 | 11% | 0.113 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.2 | -38.8 | 177.4 | -63.6 | -56.4 | 138.5 | 0 | 0 | 112.4 | F95 P96 A99 F100 F103 V206 I207 C208 L213 G214 | F95-M210 WeakPolarHBondContact CE1-O 3.18Å; P96-M210 HydrophobicContact CB-CB 4.41Å; A99-M210 HydrophobicContact CB-CB 4.28Å; A99-M210 HydrophobicContact CB-CG 4.23Å; A99-M210 HydrophobicContact CB-SD 4.01Å; F100-M210 HydrophobicContact CB-CG 4.33Å; F103-M210 HydrophobicContact CD1-CE 4.18Å; F103-M210 HydrophobicContact CG-CE 4.18Å; V206-M210 HydrophobicContact CG1-CE 4.01Å; V206-M210 WeakPolarHBondContact O-CG 3.49Å; V206-M210 PolarHBondContact O-N 2.9Å; I207-M210 PolarHBondContact O-N 2.8Å; C208-M210 VanDerWaalsContact C-N 3.32Å; M210-L213 HydrophobicContact CE-CD1 4.25Å; M210-L213 PolarHBondContact O-N 3.16Å; M210-L213 HydrophobicContact SD-CD1 4.09Å; M210-G214 PolarHBondContact O-N 3.05Å |
| 211 | Y | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.4 | -50.6 | 172.3 | 172.7 | -87.9 | 0 | 0 | 0 | 112 | A91 Y152 P153 R155 L159 V162 I207 C208 I209 L213 G214 E215 | A91-Y211 VanDerWaalsContact O-CD2 3.25Å; A91-Y211 WeakPolarHBondContact O-CD2 3.48Å; Y152-Y211 HydrophobicContact CD1-CE2 4.06Å; Y152-Y211 HydrophobicContact CE1-CE2 4.24Å; P153-Y211 PolarHBondContact O-OH 3.33Å; R155-Y211 HydrophobicContact CG-CE1 4.18Å; L159-Y211 HydrophobicContact CD2-CD1 3.64Å; L159-Y211 HydrophobicContact CD2-CE1 4.42Å; L159-Y211 HydrophobicContact CD2-CG 4.19Å; L159-Y211 HydrophobicContact CG-CD1 3.89Å; L159-Y211 HydrophobicContact CG-CE1 4.17Å; V162-Y211 HydrophobicContact CG2-CD2 3.71Å; V162-Y211 HydrophobicContact CG2-CG 4.17Å; I207-Y211 PolarHBondContact O-N 2.65Å; C208-Y211 WeakPolarHBondContact O-CB 3.32Å; C208-Y211 PolarHBondContact O-N 2.84Å; I209-Y211 VanDerWaalsContact C-N 3.31Å; I209-Y211 PolarHBondContact O-N 2.73Å; Y211-L213 VanDerWaalsContact C-N 3.32Å; Y211-L213 PolarHBondContact O-N 3.42Å; Y211-G214 PolarHBondContact O-N 3.49Å; Y211-G214 VanDerWaalsContact O-N 3.15Å; Y211-E215 PolarHBondContact O-N 3.05Å |
| 212 | V | 98.2 | Very high | 96.2 | Very high | 39 Ų | 39 | 43 Ų | 43 | 24% | 0.236 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.8 | -39.8 | -178.9 | 176.4 | 0 | 0 | 0 | 0 | 111 | L159 C208 I209 G214 E215 I216 | L159-V212 HydrophobicContact CD2-CG2 4.23Å; C208-V212 PolarHBondContact O-N 2.91Å; C208-V212 VanDerWaalsContact O-N 3.15Å; I209-V212 PolarHBondContact O-N 2.89Å; I209-V212 VanDerWaalsContact O-N 3.15Å; V212-G214 VanDerWaalsContact C-N 3.32Å; V212-G214 PolarHBondContact O-N 2.98Å; V212-E215 PolarHBondContact O-N 3.2Å; V212-I216 HydrophobicContact CG1-CD1 3.81Å; V212-I216 HydrophobicContact CG1-CG1 4.41Å; V212-I216 VanDerWaalsContact O-CG1 3.31Å; V212-I216 WeakPolarHBondContact O-CG1 3.35Å; V212-I216 PolarHBondContact O-N 2.93Å |
| 213 | L | 97.6 | Very high | 95.3 | Very high | 86 Ų | 86 | 45.5 Ų | 45.5 | 45% | 0.45 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.3 | -40.5 | 174.4 | -71.3 | 175.6 | 0 | 0 | 0 | 111.8 | I209 M210 Y211 I216 L217 | I209-L213 HydrophobicContact CG2-CD1 3.87Å; I209-L213 HydrophobicContact CG2-CG 4.15Å; I209-L213 WeakPolarHBondContact O-CG 3.42Å; I209-L213 PolarHBondContact O-N 3.29Å; M210-L213 HydrophobicContact CE-CD1 4.25Å; M210-L213 PolarHBondContact O-N 3.16Å; M210-L213 HydrophobicContact SD-CD1 4.09Å; Y211-L213 VanDerWaalsContact C-N 3.32Å; Y211-L213 PolarHBondContact O-N 3.42Å; L213-I216 PolarHBondContact O-N 3.49Å; L213-L217 WeakPolarHBondContact O-CB 3.49Å; L213-L217 PolarHBondContact O-N 3.27Å |
| 214 | G | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | F95 Y152 M210 Y211 V212 L217 N218 | F95-G214 VanDerWaalsContact CD1-CA 3.43Å; F95-G214 VanDerWaalsContact CE1-N 3.33Å; Y152-G214 PolarHBondContact OH-O 2.87Å; M210-G214 PolarHBondContact O-N 3.05Å; Y211-G214 PolarHBondContact O-N 3.49Å; Y211-G214 VanDerWaalsContact O-N 3.15Å; V212-G214 VanDerWaalsContact C-N 3.32Å; V212-G214 PolarHBondContact O-N 2.98Å; G214-L217 PolarHBondContact O-N 3.45Å; G214-N218 VanDerWaalsContact O-CB 3.3Å; G214-N218 WeakPolarHBondContact O-CB 3.2Å; G214-N218 PolarHBondContact O-N 3.16Å |
| 215 | E | 96.8 | Very high | 91.4 | Very high | 35 Ų | 35 | 49.4 Ų | 49.4 | 16% | 0.164 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 176.7 | -171 | -174.6 | -111.5 | 0 | 0 | 111.2 | Y152 R155 Y211 V212 G219 | Y152-E215 HydrophobicContact CD1-CB 3.64Å; Y152-E215 HydrophobicContact CD1-CG 3.84Å; Y152-E215 HydrophobicContact CE1-CB 3.8Å; Y152-E215 HydrophobicContact CE1-CG 4.48Å; Y152-E215 HydrophobicContact CG-CB 4.26Å; Y152-E215 HydrophobicContact CG-CG 4.06Å; R155-E215 IonicContact CZ-OE2 2.73Å; R155-E215 IonicContact NE-OE1 2.67Å; R155-E215 IonicContact NE-OE2 3.9Å; R155-E215 PolarHBondContact NE-OE2 2.86Å; R155-E215 IonicContact NH2-OE2 2.72Å; R155-E215 PolarHBondContact NH2-OE2 3.25Å; Y211-E215 PolarHBondContact O-N 3.05Å; V212-E215 PolarHBondContact O-N 3.2Å; E215-G219 PolarHBondContact O-N 2.96Å |
| 216 | I | 95.7 | Very high | 89.2 | Confident | 98 Ų | 98 | 53 Ų | 53 | 50% | 0.503 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 177.4 | -67.8 | 168.4 | 0 | 0 | 0 | 111 | V212 L213 N218 G219 Y220 | V212-I216 HydrophobicContact CG1-CD1 3.81Å; V212-I216 HydrophobicContact CG1-CG1 4.41Å; V212-I216 VanDerWaalsContact O-CG1 3.31Å; V212-I216 WeakPolarHBondContact O-CG1 3.35Å; V212-I216 PolarHBondContact O-N 2.93Å; L213-I216 PolarHBondContact O-N 3.49Å; I216-N218 PolarHBondContact O-N 2.81Å; I216-G219 PolarHBondContact O-N 3.39Å; I216-Y220 WeakPolarHBondContact O-CB 3.47Å; I216-Y220 PolarHBondContact O-N 3.46Å |
| 217 | L | 95.1 | Very high | 86.9 | Confident | 57 Ų | 57 | 55 Ų | 55 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | -178.7 | -179.1 | 62.1 | 0 | 0 | 0 | 111.1 | F95 I142 M145 L213 G214 Y220 I221 | F95-L217 HydrophobicContact CE2-CD2 4.22Å; F95-L217 HydrophobicContact CZ-CD2 4.22Å; I142-L217 HydrophobicContact CG1-CD2 4.46Å; M145-L217 HydrophobicContact SD-CB 4.09Å; M145-L217 HydrophobicContact SD-CD2 3.86Å; M145-L217 HydrophobicContact SD-CG 3.75Å; L213-L217 WeakPolarHBondContact O-CB 3.49Å; L213-L217 PolarHBondContact O-N 3.27Å; G214-L217 PolarHBondContact O-N 3.45Å; L217-Y220 PolarHBondContact O-N 2.79Å; L217-I221 HydrophobicContact CD1-CD1 4.05Å; L217-I221 HydrophobicContact CD1-CG1 4.3Å; L217-I221 HydrophobicContact CG-CD1 3.86Å; L217-I221 WeakPolarHBondContact O-CB 3.33Å; L217-I221 WeakPolarHBondContact O-CD1 3.46Å; L217-I221 WeakPolarHBondContact O-CG1 3.49Å; L217-I221 PolarHBondContact O-N 3.15Å |
| 218 | N | 94.4 | Very high | 84.6 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 4% | 0.037 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.2 | -45 | 176.6 | -177.3 | 84.3 | 0 | 0 | 0 | 111.3 | M145 H150 Y152 G214 I216 I221 W222 | M145-N218 HydrophobicContact CG-CB 4.08Å; M145-N218 HydrophobicContact SD-CB 3.8Å; H150-N218 PolarHBondContact N-OD1 3.2Å; H150-N218 PolarHBondContact O-ND2 2.92Å; Y152-N218 HydrophobicContact CD2-CB 4.23Å; Y152-N218 HydrophobicContact CE2-CB 3.64Å; G214-N218 VanDerWaalsContact O-CB 3.3Å; G214-N218 WeakPolarHBondContact O-CB 3.2Å; G214-N218 PolarHBondContact O-N 3.16Å; I216-N218 PolarHBondContact O-N 2.81Å; N218-I221 PolarHBondContact O-N 2.99Å; N218-W222 VanDerWaalsContact O-CD1 3.29Å; N218-W222 PolarHBondContact O-N 3.5Å |
| 219 | G | 91.8 | Very high | 82.3 | Confident | 18 Ų | 18 | 67.4 Ų | 67.4 | 19% | 0.186 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.4 | -50 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E215 I216 I221 W222 D223 | E215-G219 PolarHBondContact O-N 2.96Å; I216-G219 PolarHBondContact O-N 3.39Å; G219-I221 VanDerWaalsContact C-N 3.34Å; G219-I221 PolarHBondContact O-N 3.46Å; G219-W222 PolarHBondContact O-N 3.02Å; G219-W222 VanDerWaalsContact O-N 3.16Å; G219-D223 WeakPolarHBondContact O-CB 3.28Å; G219-D223 VanDerWaalsContact O-CG 3.22Å; G219-D223 PolarHBondContact O-N 2.94Å |
| 220 | Y | 92.4 | Very high | 80.1 | Confident | 142 Ų | 142 | 68 Ų | 68 | 56% | 0.557 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -58.3 | -42.7 | 179.2 | -179.1 | -95.7 | 0 | 0 | 0 | 113 | I216 L217 W222 H224 | I216-Y220 WeakPolarHBondContact O-CB 3.47Å; I216-Y220 PolarHBondContact O-N 3.46Å; L217-Y220 PolarHBondContact O-N 2.79Å; Y220-W222 VanDerWaalsContact C-N 3.29Å; Y220-W222 PolarHBondContact O-N 3.39Å; Y220-H224 AromaticContact CD2-CD2 3.3Å; Y220-H224 WeakPolarHBondContact CD2-CD2 3.47Å; Y220-H224 AromaticContact CD2-NE2 3.48Å; Y220-H224 WeakPolarHBondContact CD2-NE2 3.29Å; Y220-H224 AromaticContact CE2-CD2 3.24Å; Y220-H224 WeakPolarHBondContact CE2-CD2 3.33Å; Y220-H224 AromaticContact CE2-NE2 3.2Å; Y220-H224 WeakPolarHBondContact CE2-NE2 3.26Å; Y220-H224 AromaticContact CZ-CD2 3.91Å; Y220-H224 PolarHBondContact O-CD2 3.21Å |
| 221 | I | 90.8 | Very high | 77.7 | Confident | 13 Ų | 13 | 75.3 Ų | 75.3 | 7% | 0.067 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.5 | -39.7 | 179.4 | -72.9 | 165.4 | 0 | 0 | 0 | 111.3 | M145 R146 L217 N218 G219 T225 | M145-I221 HydrophobicContact CB-CD1 4.42Å; M145-I221 HydrophobicContact CG-CD1 3.93Å; M145-I221 HydrophobicContact SD-CD1 3.88Å; R146-I221 HydrophobicContact CG-CD1 4.11Å; L217-I221 HydrophobicContact CD1-CD1 4.05Å; L217-I221 HydrophobicContact CD1-CG1 4.3Å; L217-I221 HydrophobicContact CG-CD1 3.86Å; L217-I221 WeakPolarHBondContact O-CB 3.33Å; L217-I221 WeakPolarHBondContact O-CD1 3.46Å; L217-I221 WeakPolarHBondContact O-CG1 3.49Å; L217-I221 PolarHBondContact O-N 3.15Å; N218-I221 PolarHBondContact O-N 2.99Å; G219-I221 VanDerWaalsContact C-N 3.34Å; G219-I221 PolarHBondContact O-N 3.46Å; I221-T225 PolarHBondContact O-OG1 3.42Å |
| 222 | W | 88.5 | Confident | 75.2 | Confident | 61 Ų | 61 | 78.7 Ų | 78.7 | 23% | 0.231 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -102.6 | -33.7 | -168.5 | -69.6 | 99.7 | 0 | 0 | 0 | 114.2 | M145 R146 T148 H149 N218 G219 Y220 T225 H226 | M145-W222 PolarHBondContact O-NE1 2.88Å; R146-W222 WeakPolarHBondContact O-CZ2 3.39Å; T148-W222 PolarHBondContact O-NE1 3.29Å; H149-W222 HydrophobicContact CB-CD2 3.66Å; H149-W222 HydrophobicContact CB-CE3 4.07Å; H149-W222 HydrophobicContact CB-CG 3.92Å; H149-W222 HydrophobicContact CB-CZ2 4.28Å; H149-W222 VanDerWaalsContact CD2-CB 3.49Å; H149-W222 WeakPolarHBondContact CD2-CB 3.47Å; H149-W222 AromaticContact CD2-CD1 3.52Å; H149-W222 AromaticContact CD2-CG 3.38Å; H149-W222 AromaticContact CG-CG 3.97Å; H149-W222 VanDerWaalsContact N-CZ2 3.28Å; N218-W222 VanDerWaalsContact O-CD1 3.29Å; N218-W222 PolarHBondContact O-N 3.5Å; G219-W222 PolarHBondContact O-N 3.02Å; G219-W222 VanDerWaalsContact O-N 3.16Å; Y220-W222 VanDerWaalsContact C-N 3.29Å; Y220-W222 PolarHBondContact O-N 3.39Å; W222-T225 WeakPolarHBondContact CA-OG1 3.17Å; W222-T225 PolarHBondContact O-N 2.78Å; W222-T225 PolarHBondContact O-OG1 3.37Å; W222-H226 PolarHBondContact O-N 3.46Å |
| 223 | D | 79.3 | Confident | 72.6 | Confident | 101 Ų | 101 | 87.7 Ų | 87.7 | 54% | 0.54 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.1 | -36.6 | 178.9 | -67.2 | -23.1 | 0 | 0 | 0 | 112.3 | G219 H226 T227 | G219-D223 WeakPolarHBondContact O-CB 3.28Å; G219-D223 VanDerWaalsContact O-CG 3.22Å; G219-D223 PolarHBondContact O-N 2.94Å; D223-H226 PolarHBondContact O-N 3.34Å; D223-T227 PolarHBondContact O-N 3.45Å; D223-T227 PolarHBondContact O-OG1 3.3Å |
| 224 | H | 59.1 | Low | 71.3 | Confident | 94 Ų | 94 | 87.8 Ų | 87.8 | 44% | 0.435 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.3 | -38.9 | 175 | -85.3 | -73.4 | 0 | 0 | 0 | 112.6 | Y220 H226 T227 E228 | Y220-H224 AromaticContact CD2-CD2 3.3Å; Y220-H224 WeakPolarHBondContact CD2-CD2 3.47Å; Y220-H224 AromaticContact CD2-NE2 3.48Å; Y220-H224 WeakPolarHBondContact CD2-NE2 3.29Å; Y220-H224 AromaticContact CE2-CD2 3.24Å; Y220-H224 WeakPolarHBondContact CE2-CD2 3.33Å; Y220-H224 AromaticContact CE2-NE2 3.2Å; Y220-H224 WeakPolarHBondContact CE2-NE2 3.26Å; Y220-H224 AromaticContact CZ-CD2 3.91Å; Y220-H224 PolarHBondContact O-CD2 3.21Å; H224-H226 VanDerWaalsContact C-N 3.26Å; H224-H226 PolarHBondContact O-N 3.15Å; H224-T227 PolarHBondContact O-N 3Å; H224-T227 VanDerWaalsContact O-N 3.15Å; H224-E228 PolarHBondContact O-N 2.67Å |
| 225 | T | 55.8 | Low | 70 | Confident | 59 Ų | 59 | 92.4 Ų | 92.4 | 36% | 0.362 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.4 | -32.8 | 176.4 | 1.7 | 0 | 0 | 0 | 0 | 113.3 | I221 W222 K229 | I221-T225 PolarHBondContact O-OG1 3.42Å; W222-T225 WeakPolarHBondContact CA-OG1 3.17Å; W222-T225 PolarHBondContact O-N 2.78Å; W222-T225 PolarHBondContact O-OG1 3.37Å; T225-K229 WeakPolarHBondContact O-CG 3.45Å; T225-K229 PolarHBondContact O-N 3.21Å |
| 226 | H | 51.2 | Low | 68.5 | Low | 125 Ų | 125 | 95.6 Ų | 95.6 | 58% | 0.579 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -73.2 | -37.8 | 175.5 | -84.7 | -60 | 0 | 0 | 0 | 112 | W222 D223 H224 K229 V230 | W222-H226 PolarHBondContact O-N 3.46Å; D223-H226 PolarHBondContact O-N 3.34Å; H224-H226 VanDerWaalsContact C-N 3.26Å; H224-H226 PolarHBondContact O-N 3.15Å; H226-K229 PolarHBondContact O-N 3.21Å; H226-V230 VanDerWaalsContact O-CG2 3.28Å; H226-V230 WeakPolarHBondContact O-CG2 3.4Å; H226-V230 PolarHBondContact O-N 3.13Å; H226-V230 VanDerWaalsContact O-N 3.15Å |
| 227 | T | 50.4 | Low | 66.9 | Low | 73 Ų | 73 | 95.4 Ų | 95.4 | 45% | 0.448 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.7 | -32.8 | -178.4 | -40.3 | 0 | 0 | 0 | 0 | 112.4 | D223 H224 K231 | D223-T227 PolarHBondContact O-N 3.45Å; D223-T227 PolarHBondContact O-OG1 3.3Å; H224-T227 PolarHBondContact O-N 3Å; H224-T227 VanDerWaalsContact O-N 3.15Å; T227-K231 WeakPolarHBondContact O-CG 3.43Å; T227-K231 PolarHBondContact O-N 3.18Å |
| 228 | E | 50.1 | Low | 65.1 | Low | 145 Ų | 145 | 97.8 Ų | 97.8 | 68% | 0.678 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -73.8 | -37.6 | 174.5 | -71.7 | -174.4 | 162.4 | 0 | 0 | 112.8 | H224 K231 G232 | H224-E228 PolarHBondContact O-N 2.67Å; E228-K231 PolarHBondContact O-N 3.37Å; E228-G232 PolarHBondContact O-N 2.92Å |
| 229 | K | 49.8 | Very low | 63.2 | Low | 146 Ų | 146 | 103.9 Ų | 103.9 | 64% | 0.635 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.9 | -39.6 | 174.4 | -77.9 | -178 | 177.6 | -177.2 | 0 | 112.4 | T225 H226 K231 G232 | T225-K229 WeakPolarHBondContact O-CG 3.45Å; T225-K229 PolarHBondContact O-N 3.21Å; H226-K229 PolarHBondContact O-N 3.21Å; K229-K231 VanDerWaalsContact C-N 3.32Å; K229-K231 PolarHBondContact O-N 3.17Å; K229-G232 PolarHBondContact O-N 3.45Å |
| 230 | V | 51.6 | Low | 61.1 | Low | 106 Ų | 106 | 110 Ų | 110 | 64% | 0.642 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -72 | -23 | 179.1 | 172.8 | 0 | 0 | 0 | 0 | 113 | H226 | H226-V230 VanDerWaalsContact O-CG2 3.28Å; H226-V230 WeakPolarHBondContact O-CG2 3.4Å; H226-V230 PolarHBondContact O-N 3.13Å; H226-V230 VanDerWaalsContact O-N 3.15Å |
| 231 | K | 47.3 | Very low | 58.7 | Low | 177 Ų | 177 | 107.5 Ų | 107.5 | 77% | 0.77 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -90.6 | -8.9 | 176 | -74.4 | -177.3 | 177.7 | -178.2 | 0 | 113.9 | T227 E228 K229 | T227-K231 WeakPolarHBondContact O-CG 3.43Å; T227-K231 PolarHBondContact O-N 3.18Å; E228-K231 PolarHBondContact O-N 3.37Å; K229-K231 VanDerWaalsContact C-N 3.32Å; K229-K231 PolarHBondContact O-N 3.17Å |
| 232 | G | 47.1 | Very low | 56.1 | Low | 71 Ų | 71 | 115.4 Ų | 115.4 | 73% | 0.732 | 59% | 0.593 | S | S | * | * | trans | -105.2 | -0.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E228 K229 | E228-G232 PolarHBondContact O-N 2.92Å; K229-G232 PolarHBondContact O-N 3.45Å | ||
| 233 | E | 42.7 | Very low | 53.1 | Low | 227 Ų | 227 | 120.4 Ų | 120.4 | 100% | 1.061 | 63% | 0.626 | S | S | * | * | trans | -99.9 | 0 | 165.8 | -70.5 | -179.9 | 172 | 0 | 0 | 109.8 |
Retrieved 233 of 233 residues in 410.2 ms
(Link to these results)