| 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 | 60.3 | Low | 79.3 | Confident | 210 Ų | 210 | 109.3 Ų | 109.3 | 100% | 1.034 | 60% | 0.601 | S | S | * | * | 0 | -52.2 | 0 | -64.6 | 176.2 | 71.1 | 0 | 0 | 112.9 | V3 C4 S5 | M1-V3 PolarHBondContact O-N 2.76Å; M1-C4 PolarHBondContact O-N 3.1Å; M1-S5 PolarHBondContact O-N 2.88Å; M1-S5 PolarHBondContact O-OG 3.18Å | |||
| 2 | K | 70.8 | Confident | 79.2 | Confident | 178 Ų | 178 | 103.8 Ų | 103.8 | 77% | 0.774 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -56.8 | -42.9 | -179.6 | -73.5 | 174.7 | 174 | 173 | 0 | 115.5 | S5 I6 | K2-S5 PolarHBondContact O-N 3.2Å; K2-I6 WeakPolarHBondContact O-CG1 3.48Å; K2-I6 PolarHBondContact O-N 2.75Å |
| 3 | V | 72.9 | Confident | 78.9 | Confident | 111 Ų | 111 | 102.5 Ų | 102.5 | 67% | 0.673 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.1 | -42.2 | -179.3 | -178.3 | 0 | 0 | 0 | 0 | 111.8 | M1 S5 I6 V7 | M1-V3 PolarHBondContact O-N 2.76Å; V3-S5 PolarHBondContact O-N 2.97Å; V3-I6 PolarHBondContact O-N 3.42Å; V3-V7 WeakPolarHBondContact O-CG2 3.44Å; V3-V7 PolarHBondContact O-N 2.99Å |
| 4 | C | 79.2 | Confident | 78.6 | Confident | 89 Ų | 89 | 102.9 Ų | 102.9 | 60% | 0.601 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.9 | -42.3 | 177.3 | -166.1 | 0 | 0 | 0 | 0 | 111.2 | M1 I6 V7 V8 | M1-C4 PolarHBondContact O-N 3.1Å; C4-I6 PolarHBondContact O-N 3.39Å; C4-V7 PolarHBondContact O-N 3.21Å; C4-V8 WeakPolarHBondContact O-CB 3.2Å; C4-V8 VanDerWaalsContact O-CG2 3.26Å; C4-V8 WeakPolarHBondContact O-CG2 3.48Å; C4-V8 PolarHBondContact O-N 2.85Å |
| 5 | S | 82.9 | Confident | 77.9 | Confident | 72 Ų | 72 | 104.1 Ų | 104.1 | 50% | 0.503 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.2 | -41.7 | 175.1 | -58.2 | 0 | 0 | 0 | 0 | 112.8 | M1 K2 V3 V8 V9 | M1-S5 PolarHBondContact O-N 2.88Å; M1-S5 PolarHBondContact O-OG 3.18Å; K2-S5 PolarHBondContact O-N 3.2Å; V3-S5 PolarHBondContact O-N 2.97Å; S5-V8 PolarHBondContact O-N 2.7Å; S5-V9 VanDerWaalsContact O-CG2 3.27Å; S5-V9 WeakPolarHBondContact O-CG2 3.1Å; S5-V9 PolarHBondContact O-N 2.91Å |
| 6 | I | 85.6 | Confident | 77.1 | Confident | 102 Ų | 102 | 105 Ų | 105 | 52% | 0.523 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.9 | -45.6 | 177 | -67.8 | 166.8 | 0 | 0 | 0 | 110.6 | K2 V3 C4 V8 V9 I10 | K2-I6 WeakPolarHBondContact O-CG1 3.48Å; K2-I6 PolarHBondContact O-N 2.75Å; V3-I6 PolarHBondContact O-N 3.42Å; C4-I6 PolarHBondContact O-N 3.39Å; I6-V8 VanDerWaalsContact C-N 3.34Å; I6-V8 PolarHBondContact O-N 3.29Å; I6-V9 PolarHBondContact O-N 3.45Å; I6-I10 HydrophobicContact CG2-CD1 3.67Å; I6-I10 HydrophobicContact CG2-CG1 4.32Å; I6-I10 VanDerWaalsContact O-CG1 3.27Å; I6-I10 WeakPolarHBondContact O-CG1 3.42Å; I6-I10 PolarHBondContact O-N 3.03Å |
| 7 | V | 86.5 | Confident | 76.3 | Confident | 73 Ų | 73 | 101.8 Ų | 101.8 | 44% | 0.442 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61 | -43.8 | 177.6 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | V3 C4 V9 I10 L11 | V3-V7 WeakPolarHBondContact O-CG2 3.44Å; V3-V7 PolarHBondContact O-N 2.99Å; C4-V7 PolarHBondContact O-N 3.21Å; V7-V9 PolarHBondContact O-N 3.32Å; V7-I10 PolarHBondContact O-N 3.32Å; V7-L11 HydrophobicContact CG1-CD1 3.99Å; V7-L11 HydrophobicContact CG1-CG 4.41Å; V7-L11 WeakPolarHBondContact O-CB 3.28Å; V7-L11 VanDerWaalsContact O-CG 3.32Å; V7-L11 WeakPolarHBondContact O-CG 3.37Å; V7-L11 PolarHBondContact O-N 3.01Å |
| 8 | V | 85.5 | Confident | 75.6 | Confident | 86 Ų | 86 | 102.7 Ų | 102.7 | 52% | 0.521 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.4 | -43 | 176.8 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | C4 S5 I6 L11 A12 | C4-V8 WeakPolarHBondContact O-CB 3.2Å; C4-V8 VanDerWaalsContact O-CG2 3.26Å; C4-V8 WeakPolarHBondContact O-CG2 3.48Å; C4-V8 PolarHBondContact O-N 2.85Å; S5-V8 PolarHBondContact O-N 2.7Å; I6-V8 VanDerWaalsContact C-N 3.34Å; I6-V8 PolarHBondContact O-N 3.29Å; V8-L11 PolarHBondContact O-N 3.35Å; V8-A12 WeakPolarHBondContact O-CB 3.39Å; V8-A12 PolarHBondContact O-N 3.44Å |
| 9 | V | 84.3 | Confident | 75.2 | Confident | 91 Ų | 91 | 105.2 Ų | 105.2 | 55% | 0.552 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.3 | -42.8 | 176.5 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | S5 I6 V7 A12 V13 | S5-V9 VanDerWaalsContact O-CG2 3.27Å; S5-V9 WeakPolarHBondContact O-CG2 3.1Å; S5-V9 PolarHBondContact O-N 2.91Å; I6-V9 PolarHBondContact O-N 3.45Å; V7-V9 PolarHBondContact O-N 3.32Å; V9-A12 PolarHBondContact O-N 2.88Å; V9-V13 HydrophobicContact CG1-CG2 4.36Å; V9-V13 VanDerWaalsContact O-CG2 3.27Å; V9-V13 WeakPolarHBondContact O-CG2 3.31Å; V9-V13 PolarHBondContact O-N 3.34Å |
| 10 | I | 84.4 | Confident | 75.6 | Confident | 89 Ų | 89 | 104.1 Ų | 104.1 | 46% | 0.456 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.2 | -47 | 176.4 | -69 | 167.2 | 0 | 0 | 0 | 110.4 | I6 V7 A12 V13 L14 | I6-I10 HydrophobicContact CG2-CD1 3.67Å; I6-I10 HydrophobicContact CG2-CG1 4.32Å; I6-I10 VanDerWaalsContact O-CG1 3.27Å; I6-I10 WeakPolarHBondContact O-CG1 3.42Å; I6-I10 PolarHBondContact O-N 3.03Å; V7-I10 PolarHBondContact O-N 3.32Å; I10-A12 VanDerWaalsContact C-N 3.35Å; I10-A12 PolarHBondContact O-N 3.12Å; I10-V13 PolarHBondContact O-N 3.17Å; I10-L14 HydrophobicContact CG2-CD1 3.86Å; I10-L14 HydrophobicContact CG2-CG 4.31Å; I10-L14 WeakPolarHBondContact O-CB 3.33Å; I10-L14 VanDerWaalsContact O-CG 3.25Å; I10-L14 WeakPolarHBondContact O-CG 3.27Å; I10-L14 PolarHBondContact O-N 3.32Å |
| 11 | L | 79.9 | Confident | 76.3 | Confident | 101 Ų | 101 | 101 Ų | 101 | 53% | 0.529 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.4 | -42.3 | 177.8 | -71.4 | 171.7 | 0 | 0 | 0 | 112 | V7 V8 L14 L15 | V7-L11 HydrophobicContact CG1-CD1 3.99Å; V7-L11 HydrophobicContact CG1-CG 4.41Å; V7-L11 WeakPolarHBondContact O-CB 3.28Å; V7-L11 VanDerWaalsContact O-CG 3.32Å; V7-L11 WeakPolarHBondContact O-CG 3.37Å; V7-L11 PolarHBondContact O-N 3.01Å; V8-L11 PolarHBondContact O-N 3.35Å; L11-L14 PolarHBondContact O-N 3.5Å; L11-L15 WeakPolarHBondContact O-CG 3.37Å; L11-L15 PolarHBondContact O-N 3.01Å |
| 12 | A | 78 | Confident | 78 | Confident | 44 Ų | 44 | 92.9 Ų | 92.9 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V8 V9 I10 L15 I16 | V8-A12 WeakPolarHBondContact O-CB 3.39Å; V8-A12 PolarHBondContact O-N 3.44Å; V9-A12 PolarHBondContact O-N 2.88Å; I10-A12 VanDerWaalsContact C-N 3.35Å; I10-A12 PolarHBondContact O-N 3.12Å; A12-L15 PolarHBondContact O-N 3.34Å; A12-I16 VanDerWaalsContact O-CG1 3.32Å; A12-I16 WeakPolarHBondContact O-CG1 2.87Å; A12-I16 PolarHBondContact O-N 3.1Å; A12-I16 VanDerWaalsContact O-N 3.09Å |
| 13 | V | 75.6 | Confident | 79.3 | Confident | 87 Ų | 87 | 89.9 Ų | 89.9 | 53% | 0.527 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 177.1 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | V9 I10 L15 I16 A17 | V9-V13 HydrophobicContact CG1-CG2 4.36Å; V9-V13 VanDerWaalsContact O-CG2 3.27Å; V9-V13 WeakPolarHBondContact O-CG2 3.31Å; V9-V13 PolarHBondContact O-N 3.34Å; I10-V13 PolarHBondContact O-N 3.17Å; V13-L15 VanDerWaalsContact C-N 3.33Å; V13-L15 PolarHBondContact O-N 3.37Å; V13-I16 PolarHBondContact O-N 3.16Å; V13-A17 PolarHBondContact O-N 3Å; V13-A17 VanDerWaalsContact O-N 3.07Å |
| 14 | L | 74.6 | Confident | 80.5 | Confident | 108 Ų | 108 | 84.8 Ų | 84.8 | 57% | 0.565 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.7 | -35.2 | 176.5 | -71 | 173.7 | 0 | 0 | 0 | 112.6 | I10 L11 | I10-L14 HydrophobicContact CG2-CD1 3.86Å; I10-L14 HydrophobicContact CG2-CG 4.31Å; I10-L14 WeakPolarHBondContact O-CB 3.33Å; I10-L14 VanDerWaalsContact O-CG 3.25Å; I10-L14 WeakPolarHBondContact O-CG 3.27Å; I10-L14 PolarHBondContact O-N 3.32Å; L11-L14 PolarHBondContact O-N 3.5Å |
| 15 | L | 68.6 | Low | 81.4 | Confident | 121 Ų | 121 | 87.6 Ų | 87.6 | 63% | 0.634 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.3 | -42.7 | 174.3 | -74.8 | 165.5 | 0 | 0 | 0 | 111.8 | L11 A12 V13 A17 K18 | L11-L15 WeakPolarHBondContact O-CG 3.37Å; L11-L15 PolarHBondContact O-N 3.01Å; A12-L15 PolarHBondContact O-N 3.34Å; V13-L15 VanDerWaalsContact C-N 3.33Å; V13-L15 PolarHBondContact O-N 3.37Å; L15-A17 VanDerWaalsContact C-N 3.29Å; L15-A17 PolarHBondContact O-N 3.36Å; L15-K18 PolarHBondContact O-N 3.14Å |
| 16 | I | 64.5 | Low | 82.2 | Confident | 118 Ų | 118 | 88 Ų | 88 | 61% | 0.605 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.7 | -36.8 | 178.1 | -64.6 | 163.1 | 0 | 0 | 0 | 111 | A12 V13 K18 L19 | A12-I16 VanDerWaalsContact O-CG1 3.32Å; A12-I16 WeakPolarHBondContact O-CG1 2.87Å; A12-I16 PolarHBondContact O-N 3.1Å; A12-I16 VanDerWaalsContact O-N 3.09Å; V13-I16 PolarHBondContact O-N 3.16Å; I16-K18 PolarHBondContact O-N 2.67Å; I16-K18 VanDerWaalsContact O-N 3.14Å; I16-L19 PolarHBondContact O-N 3.05Å |
| 17 | A | 63.1 | Low | 82.8 | Confident | 50 Ų | 50 | 85 Ų | 85 | 41% | 0.413 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.1 | -23.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V13 L15 L19 | V13-A17 PolarHBondContact O-N 3Å; V13-A17 VanDerWaalsContact O-N 3.07Å; L15-A17 VanDerWaalsContact C-N 3.29Å; L15-A17 PolarHBondContact O-N 3.36Å; A17-L19 VanDerWaalsContact C-N 3.3Å; A17-L19 PolarHBondContact O-N 3.33Å |
| 18 | K | 64.1 | Low | 83.3 | Confident | 118 Ų | 118 | 84.8 Ų | 84.8 | 51% | 0.513 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -14.7 | 175.3 | -69.3 | -158.7 | 176.4 | -161.5 | 0 | 114.1 | L15 I16 D102 N105 | L15-K18 PolarHBondContact O-N 3.14Å; I16-K18 PolarHBondContact O-N 2.67Å; I16-K18 VanDerWaalsContact O-N 3.14Å; K18-D102 IonicContact NZ-OD1 2.79Å; K18-N105 WeakPolarHBondContact O-CB 3.47Å |
| 19 | L | 67.8 | Low | 83.9 | Confident | 151 Ų | 151 | 80.7 Ų | 80.7 | 79% | 0.791 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 1.6 | -176.3 | -64.2 | 173.3 | 0 | 0 | 0 | 113.2 | I16 A17 A21 | I16-L19 PolarHBondContact O-N 3.05Å; A17-L19 VanDerWaalsContact C-N 3.3Å; A17-L19 PolarHBondContact O-N 3.33Å; L19-A21 PolarHBondContact O-N 2.82Å |
| 20 | D | 84.1 | Confident | 84.6 | Confident | 83 Ų | 83 | 76.3 Ų | 76.3 | 44% | 0.444 | 41% | 0.406 | S | S | . | . | trans | -80 | 107.7 | 176.5 | -174.5 | 48.3 | 0 | 0 | 0 | 109.5 | N105 R106 | D20-N105 CarbonylContact O-C 3.59Å; D20-R106 VanDerWaalsContact O-CB 3.28Å; D20-R106 WeakPolarHBondContact O-CB 3.36Å; D20-R106 PolarHBondContact O-N 3.29Å; D20-R106 VanDerWaalsContact OD2-CD 3.23Å; D20-R106 WeakPolarHBondContact OD2-CD 3.24Å; D20-R106 IonicContact OD2-CZ 3.83Å; D20-R106 IonicContact OD2-NE 2.71Å; D20-R106 PolarHBondContact OD2-NE 2.99Å | ||
| 21 | A | 90.2 | Very high | 85.2 | Confident | 38 Ų | 38 | 77.1 Ų | 77.1 | 31% | 0.314 | 41% | 0.406 | S | S | . | . | trans | -80.8 | 163.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L19 | L19-A21 PolarHBondContact O-N 2.82Š| ||
| 22 | K | 95.6 | Very high | 86.1 | Confident | 41 Ų | 41 | 75.2 Ų | 75.2 | 18% | 0.178 | 39% | 0.393 | C | S | . | . | trans | -147 | 136.4 | -179.1 | 175.2 | 169.2 | 173.2 | 132.1 | 0 | 112.2 | Y24 E28 T61 R106 | K22-Y24 HydrophobicContact CB-CE2 4.38Å; K22-Y24 HydrophobicContact CD-CD1 4.23Å; K22-Y24 HydrophobicContact CD-CD2 4.28Å; K22-Y24 HydrophobicContact CD-CE1 3.94Å; K22-Y24 HydrophobicContact CD-CE2 4.03Å; K22-Y24 HydrophobicContact CD-CG 4.39Å; K22-Y24 HydrophobicContact CG-CD2 4.12Å; K22-Y24 HydrophobicContact CG-CE2 4.15Å; K22-Y24 HydrophobicContact CG-CG 4.45Å; K22-E28 VanDerWaalsContact CE-OE1 3.29Å; K22-E28 WeakPolarHBondContact CE-OE1 3.48Å; K22-E28 WeakPolarHBondContact CE-OE2 3.45Å; K22-E28 IonicContact NZ-OE1 3.95Å; K22-E28 PolarHBondContact NZ-OE1 3.43Å; K22-E28 IonicContact NZ-OE2 3.78Å; K22-E28 PolarHBondContact NZ-OE2 3.02Å; K22-T61 PolarHBondContact N-OG1 3.3Å; K22-T61 WeakPolarHBondContact O-CG2 3.4Å; K22-T61 PolarHBondContact O-N 3.23Å; K22-T61 PolarHBondContact O-OG1 2.72Å; K22-R106 HydrophobicContact CB-CB 3.74Å | ||
| 23 | I | 98.2 | Very high | 87 | Confident | 114 Ų | 114 | 73.1 Ų | 73.1 | 59% | 0.585 | 38% | 0.376 | S | S | * | . | B | Isolated β-bridge | trans | -88.6 | 119.9 | 158.5 | -55.2 | 176.7 | 0 | 0 | 0 | 107.9 | F59 D60 | I23-F59 WeakPolarHBondContact CA-O 3.47Å; I23-D60 HydrophobicContact CG1-CB 3.94Å |
| 24 | Y | 98.5 | Very high | 88 | Confident | 5 Ų | 5 | 70.7 Ų | 70.7 | 2% | 0.02 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -82 | 138 | 179.1 | -83.9 | -87.7 | 0 | 0 | 0 | 112.4 | K22 E28 L29 K32 F59 T61 I76 R106 I108 | K22-Y24 HydrophobicContact CB-CE2 4.38Å; K22-Y24 HydrophobicContact CD-CD1 4.23Å; K22-Y24 HydrophobicContact CD-CD2 4.28Å; K22-Y24 HydrophobicContact CD-CE1 3.94Å; K22-Y24 HydrophobicContact CD-CE2 4.03Å; K22-Y24 HydrophobicContact CD-CG 4.39Å; K22-Y24 HydrophobicContact CG-CD2 4.12Å; K22-Y24 HydrophobicContact CG-CE2 4.15Å; K22-Y24 HydrophobicContact CG-CG 4.45Å; Y24-E28 HydrophobicContact CD1-CB 4.38Å; Y24-E28 HydrophobicContact CD1-CG 3.94Å; Y24-E28 HydrophobicContact CE1-CG 4.18Å; Y24-L29 HydrophobicContact CD1-CB 4.41Å; Y24-L29 HydrophobicContact CD1-CD1 4.5Å; Y24-L29 HydrophobicContact CG-CB 4.37Å; Y24-L29 HydrophobicContact CG-CD1 4.27Å; Y24-K32 HydrophobicContact CD1-CD 4.38Å; Y24-K32 HydrophobicContact CE1-CD 3.44Å; Y24-K32 VanDerWaalsContact CE1-CD 3.44Å; Y24-K32 PolarHBondContact OH-NZ 2.95Å; Y24-F59 PolarHBondContact N-O 2.93Å; Y24-F59 WeakPolarHBondContact O-CB 3.39Å; Y24-T61 HydrophobicContact CD2-CG2 3.96Å; Y24-T61 HydrophobicContact CE2-CG2 3.71Å; Y24-I76 HydrophobicContact CD2-CD1 3.93Å; Y24-R106 PolarHBondContact OH-O 3.44Å; Y24-I108 HydrophobicContact CE2-CD1 4.09Å; Y24-I108 HydrophobicContact CE2-CG1 4.41Å; Y24-I108 HydrophobicContact CE2-CG2 3.7Å |
| 25 | E | 98.3 | Very high | 89 | Confident | 147 Ų | 147 | 71.7 Ų | 71.7 | 69% | 0.687 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 144.1 | 162.6 | -64.6 | -166.8 | 149.4 | 0 | 0 | 110.3 | C27 E28 L29 | E25-C27 VanDerWaalsContact C-N 3.35Å; E25-C27 PolarHBondContact O-N 3.13Å; E25-E28 HydrophobicContact CB-CB 4.23Å; E25-E28 WeakPolarHBondContact O-CB 3.28Å; E25-E28 PolarHBondContact O-N 3.5Å; E25-L29 PolarHBondContact O-N 2.96Å |
| 26 | R | 98.1 | Very high | 90.4 | Very high | 80 Ų | 80 | 67.2 Ų | 67.2 | 30% | 0.302 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -47.1 | -51.7 | -177.6 | 179.7 | 177.6 | 59.4 | 83.4 | -1.1 | 113.5 | L29 A30 L50 F59 W143 K145 C147 | R26-L29 PolarHBondContact O-N 3.41Å; R26-A30 WeakPolarHBondContact O-CB 3.49Å; R26-A30 PolarHBondContact O-N 2.97Å; R26-L50 HydrophobicContact CG-CD1 4.46Å; R26-F59 HydrophobicContact CB-CE2 4.08Å; R26-W143 WeakPolarHBondContact CD-O 3.48Å; R26-W143 HydrophobicContact CG-CE3 4.06Å; R26-W143 HydrophobicContact CG-CZ3 4.48Å; R26-W143 PolarHBondContact NH1-O 2.63Å; R26-K145 PolarHBondContact NH1-O 2.95Å; R26-K145 PolarHBondContact NH2-O 3.13Å; R26-C147 PolarHBondContact NH1-SG 3.38Å |
| 27 | C | 98.3 | Very high | 91.9 | Very high | 41 Ų | 41 | 63.4 Ų | 63.4 | 28% | 0.277 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -75.2 | -27.8 | -177.7 | -68.3 | 0 | 0 | 0 | 0 | 113.7 | E25 K31 C147 | E25-C27 VanDerWaalsContact C-N 3.35Å; E25-C27 PolarHBondContact O-N 3.13Å; C27-K31 PolarHBondContact O-N 3.17Å; C27-K31 VanDerWaalsContact O-N 3.17Å; C27-C147 WeakPolarHBondContact CA-SG 3.27Å; C27-C147 HydrophobicContact CB-CB 3.7Å; C27-C147 WeakPolarHBondContact CB-SG 3.26Å; C27-C147 WeakPolarHBondContact SG-CA 3.2Å; C27-C147 WeakPolarHBondContact SG-CB 3.5Å; C27-C147 CovalentContact SG-SG 2.05Å; C27-C147 PolarHBondContact SG-SG 3.48Å |
| 28 | E | 97.9 | Very high | 93.5 | Very high | 67 Ų | 67 | 61 Ų | 61 | 31% | 0.313 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66 | -46.4 | 171.8 | -174.9 | -173.3 | 174.7 | 0 | 0 | 110.1 | K22 Y24 E25 K31 K32 | K22-E28 VanDerWaalsContact CE-OE1 3.29Å; K22-E28 WeakPolarHBondContact CE-OE1 3.48Å; K22-E28 WeakPolarHBondContact CE-OE2 3.45Å; K22-E28 IonicContact NZ-OE1 3.95Å; K22-E28 PolarHBondContact NZ-OE1 3.43Å; K22-E28 IonicContact NZ-OE2 3.78Å; K22-E28 PolarHBondContact NZ-OE2 3.02Å; Y24-E28 HydrophobicContact CD1-CB 4.38Å; Y24-E28 HydrophobicContact CD1-CG 3.94Å; Y24-E28 HydrophobicContact CE1-CG 4.18Å; E25-E28 HydrophobicContact CB-CB 4.23Å; E25-E28 WeakPolarHBondContact O-CB 3.28Å; E25-E28 PolarHBondContact O-N 3.5Å; E28-K31 PolarHBondContact O-N 2.05Å; E28-K32 PolarHBondContact O-N 3.24Å; E28-K32 VanDerWaalsContact O-N 3.14Å |
| 29 | L | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62 | -47 | 175.7 | -173 | 55.7 | 0 | 0 | 0 | 110.9 | Y24 E25 R26 K31 K32 L33 L50 A53 F59 I76 I108 | Y24-L29 HydrophobicContact CD1-CB 4.41Å; Y24-L29 HydrophobicContact CD1-CD1 4.5Å; Y24-L29 HydrophobicContact CG-CB 4.37Å; Y24-L29 HydrophobicContact CG-CD1 4.27Å; E25-L29 PolarHBondContact O-N 2.96Å; R26-L29 PolarHBondContact O-N 3.41Å; L29-K31 VanDerWaalsContact C-N 3.27Å; L29-K31 PolarHBondContact O-N 2.99Å; L29-K32 PolarHBondContact O-N 3.43Å; L29-L33 HydrophobicContact CD1-CD1 4.22Å; L29-L33 HydrophobicContact CD1-CD2 4.07Å; L29-L33 HydrophobicContact CD1-CG 3.98Å; L29-L33 HydrophobicContact CD2-CD1 4.45Å; L29-L33 HydrophobicContact CG-CD1 3.82Å; L29-L33 HydrophobicContact CG-CG 4.05Å; L29-L33 VanDerWaalsContact O-CG 3.28Å; L29-L33 WeakPolarHBondContact O-CG 3.38Å; L29-L33 PolarHBondContact O-N 2.94Å; L29-L50 HydrophobicContact CB-CD2 3.87Å; L29-L50 HydrophobicContact CD2-CD2 3.73Å; L29-L50 HydrophobicContact CG-CD2 3.72Å; L29-A53 HydrophobicContact CD2-CB 4.06Å; L29-F59 HydrophobicContact CD2-CB 4.36Å; L29-F59 HydrophobicContact CD2-CD1 3.32Å; L29-F59 HydrophobicContact CD2-CE1 3.64Å; L29-F59 HydrophobicContact CD2-CG 3.95Å; L29-I76 HydrophobicContact CD1-CD1 3.84Å; L29-I76 HydrophobicContact CD2-CD1 3.79Å; L29-I76 HydrophobicContact CG-CD1 4.49Å; L29-I108 HydrophobicContact CD1-CD1 3.43Å; L29-I108 VanDerWaalsContact CD1-CD1 3.43Å |
| 30 | A | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -50.8 | -49.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R26 K32 L33 E34 V46 L50 L144 C147 V149 | R26-A30 WeakPolarHBondContact O-CB 3.49Å; R26-A30 PolarHBondContact O-N 2.97Å; A30-K32 PolarHBondContact O-N 3.5Å; A30-L33 PolarHBondContact O-N 3.38Å; A30-E34 WeakPolarHBondContact O-CB 3.15Å; A30-E34 PolarHBondContact O-N 3.39Å; A30-V46 HydrophobicContact CB-CG1 4.17Å; A30-L50 HydrophobicContact CB-CD1 3.76Å; A30-L50 HydrophobicContact CB-CD2 4.42Å; A30-L144 HydrophobicContact CB-CD2 4.07Å; A30-C147 HydrophobicContact CB-CB 4.45Å; A30-V149 HydrophobicContact CB-CG1 3.87Å |
| 31 | K | 97.5 | Very high | 97 | Very high | 105 Ų | 105 | 49.5 Ų | 49.5 | 46% | 0.457 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 177.9 | -177.3 | 175.8 | 172.4 | -178.3 | 0 | 112.2 | C27 E28 L29 E34 E35 V149 | C27-K31 PolarHBondContact O-N 3.17Å; C27-K31 VanDerWaalsContact O-N 3.17Å; E28-K31 PolarHBondContact O-N 2.05Å; L29-K31 VanDerWaalsContact C-N 3.27Å; L29-K31 PolarHBondContact O-N 2.99Å; K31-E34 PolarHBondContact O-N 2.89Å; K31-E35 WeakPolarHBondContact CE-OE1 3.36Å; K31-E35 HydrophobicContact CG-CG 4.34Å; K31-E35 IonicContact NZ-OE1 2.65Å; K31-E35 WeakPolarHBondContact O-CB 3.44Å; K31-E35 VanDerWaalsContact O-CG 3.28Å; K31-E35 WeakPolarHBondContact O-CG 3.39Å; K31-E35 PolarHBondContact O-N 3Å; K31-V149 HydrophobicContact CB-CG1 4.32Å |
| 32 | K | 97.5 | Very high | 97.3 | Very high | 61 Ų | 61 | 54.1 Ų | 54.1 | 27% | 0.265 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 177.5 | -75.5 | -170.9 | 175.5 | -148.3 | 0 | 113 | Y24 E28 L29 A30 E35 A36 I108 | Y24-K32 HydrophobicContact CD1-CD 4.38Å; Y24-K32 HydrophobicContact CE1-CD 3.44Å; Y24-K32 VanDerWaalsContact CE1-CD 3.44Å; Y24-K32 PolarHBondContact OH-NZ 2.95Å; E28-K32 PolarHBondContact O-N 3.24Å; E28-K32 VanDerWaalsContact O-N 3.14Å; L29-K32 PolarHBondContact O-N 3.43Å; A30-K32 PolarHBondContact O-N 3.5Å; K32-E35 PolarHBondContact O-N 3.14Å; K32-A36 VanDerWaalsContact O-CB 3.24Å; K32-A36 WeakPolarHBondContact O-CB 3.32Å; K32-A36 PolarHBondContact O-N 3.24Å; K32-I108 HydrophobicContact CB-CD1 4.45Å; K32-I108 HydrophobicContact CD-CD1 4.25Å; K32-I108 HydrophobicContact CD-CG1 4.48Å |
| 33 | L | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 178.4 | -61.5 | 175.8 | 0 | 0 | 0 | 110.9 | L29 A30 A36 G37 L38 V46 W49 L50 F77 I112 | L29-L33 HydrophobicContact CD1-CD1 4.22Å; L29-L33 HydrophobicContact CD1-CD2 4.07Å; L29-L33 HydrophobicContact CD1-CG 3.98Å; L29-L33 HydrophobicContact CD2-CD1 4.45Å; L29-L33 HydrophobicContact CG-CD1 3.82Å; L29-L33 HydrophobicContact CG-CG 4.05Å; L29-L33 VanDerWaalsContact O-CG 3.28Å; L29-L33 WeakPolarHBondContact O-CG 3.38Å; L29-L33 PolarHBondContact O-N 2.94Å; A30-L33 PolarHBondContact O-N 3.38Å; L33-A36 PolarHBondContact O-N 3.45Å; L33-G37 PolarHBondContact O-N 3.03Å; L33-L38 HydrophobicContact CB-CB 4.37Å; L33-L38 HydrophobicContact CB-CD1 3.85Å; L33-L38 HydrophobicContact CD2-CD1 3.36Å; L33-L38 HydrophobicContact CG-CD1 4.11Å; L33-L38 WeakPolarHBondContact O-CB 3.06Å; L33-L38 PolarHBondContact O-N 3.4Å; L33-V46 HydrophobicContact CB-CG1 3.95Å; L33-V46 HydrophobicContact CD1-CG1 4.22Å; L33-W49 HydrophobicContact CD1-CB 3.77Å; L33-L50 HydrophobicContact CD1-CD2 3.94Å; L33-L50 HydrophobicContact CD1-CG 4.13Å; L33-F77 HydrophobicContact CD2-CZ 3.8Å; L33-I112 HydrophobicContact CD2-CD1 3.83Å; L33-I112 HydrophobicContact CD2-CG1 3.88Å |
| 34 | E | 96.6 | Very high | 97.2 | Very high | 36 Ų | 36 | 51.7 Ų | 51.7 | 17% | 0.168 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.3 | -53.3 | 172.6 | -173.4 | -138.3 | 155.1 | 0 | 0 | 111.5 | A30 K31 A36 G37 V46 V149 R150 | A30-E34 WeakPolarHBondContact O-CB 3.15Å; A30-E34 PolarHBondContact O-N 3.39Å; K31-E34 PolarHBondContact O-N 2.89Å; E34-A36 PolarHBondContact O-N 3.17Å; E34-G37 WeakPolarHBondContact O-CA 3.36Å; E34-G37 PolarHBondContact O-N 2.78Å; E34-V46 HydrophobicContact CB-CG2 4.13Å; E34-V149 VanDerWaalsContact OE2-CA 3.31Å; E34-V149 WeakPolarHBondContact OE2-CA 3.44Å; E34-V149 WeakPolarHBondContact OE2-CB 3.16Å; E34-R150 WeakPolarHBondContact OE1-CA 3.27Å; E34-R150 WeakPolarHBondContact OE1-CB 3.38Å; E34-R150 PolarHBondContact OE1-N 3Å; E34-R150 VanDerWaalsContact OE1-N 3.12Å; E34-R150 PolarHBondContact OE2-N 2.83Å |
| 35 | E | 96.3 | Very high | 97.2 | Very high | 129 Ų | 129 | 54.2 Ų | 54.2 | 60% | 0.603 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.1 | -33.1 | -180 | -74.4 | 176.3 | 166.2 | 0 | 0 | 112.4 | K31 K32 G37 | K31-E35 WeakPolarHBondContact CE-OE1 3.36Å; K31-E35 HydrophobicContact CG-CG 4.34Å; K31-E35 IonicContact NZ-OE1 2.65Å; K31-E35 WeakPolarHBondContact O-CB 3.44Å; K31-E35 VanDerWaalsContact O-CG 3.28Å; K31-E35 WeakPolarHBondContact O-CG 3.39Å; K31-E35 PolarHBondContact O-N 3Å; K32-E35 PolarHBondContact O-N 3.14Å; E35-G37 PolarHBondContact O-N 2.71Å |
| 36 | A | 97 | Very high | 97.1 | Very high | 27 Ų | 27 | 47.2 Ų | 47.2 | 22% | 0.223 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 2.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K32 L33 E34 I112 K116 | K32-A36 VanDerWaalsContact O-CB 3.24Å; K32-A36 WeakPolarHBondContact O-CB 3.32Å; K32-A36 PolarHBondContact O-N 3.24Å; L33-A36 PolarHBondContact O-N 3.45Å; E34-A36 PolarHBondContact O-N 3.17Å; A36-I112 HydrophobicContact CB-CD1 3.83Å; A36-I112 HydrophobicContact CB-CG2 3.88Å; A36-K116 PolarHBondContact O-NZ 2.89Å |
| 37 | G | 95.8 | Very high | 97.1 | Very high | 38 Ų | 38 | 43.4 Ų | 43.4 | 39% | 0.392 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 38.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L33 E34 E35 K116 | L33-G37 PolarHBondContact O-N 3.03Å; E34-G37 WeakPolarHBondContact O-CA 3.36Å; E34-G37 PolarHBondContact O-N 2.78Å; E35-G37 PolarHBondContact O-N 2.71Å; G37-K116 PolarHBondContact O-NZ 2.92Å; G37-K116 VanDerWaalsContact O-NZ 3.1Å |
| 38 | L | 97.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -85.2 | -18.8 | 170.2 | -73.9 | 172.8 | 0 | 0 | 0 | 113.2 | L33 G40 F41 Y44 W49 I112 K116 | L33-L38 HydrophobicContact CB-CB 4.37Å; L33-L38 HydrophobicContact CB-CD1 3.85Å; L33-L38 HydrophobicContact CD2-CD1 3.36Å; L33-L38 HydrophobicContact CG-CD1 4.11Å; L33-L38 WeakPolarHBondContact O-CB 3.06Å; L33-L38 PolarHBondContact O-N 3.4Å; L38-G40 PolarHBondContact O-N 3.45Å; L38-G40 VanDerWaalsContact O-N 3.13Å; L38-F41 HydrophobicContact CD2-CB 4.45Å; L38-F41 WeakPolarHBondContact O-CB 3.38Å; L38-F41 PolarHBondContact O-N 2.91Å; L38-Y44 VanDerWaalsContact O-O 3.11Å; L38-W49 HydrophobicContact CB-CG 4.28Å; L38-W49 HydrophobicContact CD1-CD2 4.04Å; L38-W49 HydrophobicContact CD1-CE3 4.46Å; L38-W49 HydrophobicContact CD1-CG 4.04Å; L38-W49 HydrophobicContact CD2-CD2 4.04Å; L38-W49 HydrophobicContact CD2-CH2 4.1Å; L38-W49 HydrophobicContact CD2-CZ2 3.58Å; L38-W49 HydrophobicContact CG-CD2 4.47Å; L38-W49 PolarHBondContact O-NE1 3.32Å; L38-I112 HydrophobicContact CD1-CG1 4.17Å; L38-I112 HydrophobicContact CD1-CG2 3.73Å; L38-I112 HydrophobicContact CD2-CG2 4.16Å; L38-I112 HydrophobicContact CG-CG2 3.91Å; L38-K116 HydrophobicContact CD2-CD 4.02Å; L38-K116 HydrophobicContact CD2-CG 3.51Å | ||
| 39 | D | 96.1 | Very high | 97.1 | Very high | 15 Ų | 15 | 39.3 Ų | 39.3 | 8% | 0.08 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 112.4 | 177.5 | -162.9 | 40.7 | 0 | 0 | 0 | 112 | F41 V46 K152 | D39-F41 VanDerWaalsContact C-N 3.32Å; D39-V46 HydrophobicContact CB-CG2 3.66Å; D39-V46 PolarHBondContact OD1-N 2.96Å; D39-K152 PolarHBondContact O-NZ 3.23Å; D39-K152 PolarHBondContact OD2-N 3.08Å |
| 40 | G | 95.5 | Very high | 97.1 | Very high | 43 Ų | 43 | 39.3 Ų | 39.3 | 44% | 0.443 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 3.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L38 K42 G43 Y44 | L38-G40 PolarHBondContact O-N 3.45Å; L38-G40 VanDerWaalsContact O-N 3.13Å; G40-K42 PolarHBondContact O-N 2.93Å; G40-K42 VanDerWaalsContact O-N 3.16Å; G40-G43 PolarHBondContact O-N 3.45Å; G40-G43 VanDerWaalsContact O-N 3.1Å; G40-Y44 CarbonylContact C-O 3.46Å; G40-Y44 WeakPolarHBondContact CA-O 3.33Å; G40-Y44 PolarHBondContact N-O 3.5Å |
| 41 | F | 97.4 | Very high | 97.2 | Very high | 52 Ų | 52 | 39.4 Ų | 39.4 | 23% | 0.228 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -64.3 | 119.2 | 179 | -179.6 | -94.5 | 0 | 0 | 0 | 109.9 | L38 D39 G43 Y44 W49 K116 A119 S120 | L38-F41 HydrophobicContact CD2-CB 4.45Å; L38-F41 WeakPolarHBondContact O-CB 3.38Å; L38-F41 PolarHBondContact O-N 2.91Å; D39-F41 VanDerWaalsContact C-N 3.32Å; F41-G43 PolarHBondContact O-N 3.32Å; F41-G43 VanDerWaalsContact O-N 3.14Å; F41-Y44 PolarHBondContact N-O 3.4Å; F41-Y44 WeakPolarHBondContact O-CD2 3.1Å; F41-Y44 PolarHBondContact O-N 3.41Å; F41-W49 HydrophobicContact CD1-CZ2 4.05Å; F41-K116 HydrophobicContact CD1-CB 4.47Å; F41-K116 HydrophobicContact CD1-CG 3.95Å; F41-K116 HydrophobicContact CD2-CD 4.12Å; F41-K116 HydrophobicContact CD2-CG 4.34Å; F41-K116 HydrophobicContact CE1-CB 3.71Å; F41-K116 HydrophobicContact CE1-CD 4.42Å; F41-K116 HydrophobicContact CE1-CG 3.69Å; F41-K116 WeakPolarHBondContact CE1-O 3.34Å; F41-K116 HydrophobicContact CE2-CB 4.32Å; F41-K116 HydrophobicContact CE2-CD 3.95Å; F41-K116 HydrophobicContact CE2-CG 4.11Å; F41-K116 HydrophobicContact CG-CD 4.43Å; F41-K116 HydrophobicContact CG-CG 4.26Å; F41-K116 HydrophobicContact CZ-CB 3.63Å; F41-K116 HydrophobicContact CZ-CD 4.1Å; F41-K116 HydrophobicContact CZ-CG 3.77Å; F41-A119 HydrophobicContact CE1-CB 4.33Å; F41-S120 WeakPolarHBondContact CZ-OG 3.47Å |
| 42 | K | 96.7 | Very high | 97.2 | Very high | 135 Ų | 135 | 34.4 Ų | 34.4 | 59% | 0.587 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 23.7 | -174.1 | -62.4 | -69 | -173.9 | 176.2 | 0 | 114 | G40 Y44 S120 | G40-K42 PolarHBondContact O-N 2.93Å; G40-K42 VanDerWaalsContact O-N 3.16Å; K42-Y44 HydrophobicContact CB-CD2 4Å; K42-Y44 HydrophobicContact CB-CE2 4.13Å; K42-S120 VanDerWaalsContact CE-OG 3.28Å; K42-S120 WeakPolarHBondContact CE-OG 3.21Å |
| 43 | G | 95.9 | Very high | 97.3 | Very high | 66 Ų | 66 | 31.5 Ų | 31.5 | 68% | 0.68 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.5 | 4.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | G40 F41 | G40-G43 PolarHBondContact O-N 3.45Å; G40-G43 VanDerWaalsContact O-N 3.1Å; F41-G43 PolarHBondContact O-N 3.32Å; F41-G43 VanDerWaalsContact O-N 3.14Å |
| 44 | Y | 97 | Very high | 97.3 | Very high | 39 Ų | 39 | 35 Ų | 35 | 15% | 0.153 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -94.4 | 135.8 | 176 | -58 | -67.4 | 0 | 0 | 0 | 111.1 | L38 G40 F41 K42 D48 S124 M125 W131 | L38-Y44 VanDerWaalsContact O-O 3.11Å; G40-Y44 CarbonylContact C-O 3.46Å; G40-Y44 WeakPolarHBondContact CA-O 3.33Å; G40-Y44 PolarHBondContact N-O 3.5Å; F41-Y44 PolarHBondContact N-O 3.4Å; F41-Y44 WeakPolarHBondContact O-CD2 3.1Å; F41-Y44 PolarHBondContact O-N 3.41Å; K42-Y44 HydrophobicContact CB-CD2 4Å; K42-Y44 HydrophobicContact CB-CE2 4.13Å; Y44-D48 WeakPolarHBondContact CA-OD2 3.48Å; Y44-D48 HydrophobicContact CD1-CB 4.36Å; Y44-S124 VanDerWaalsContact OH-CB 3.29Å; Y44-S124 WeakPolarHBondContact OH-CB 3.4Å; Y44-M125 HydrophobicContact CD1-CE 4.14Å; Y44-M125 HydrophobicContact CD1-CG 4.11Å; Y44-M125 HydrophobicContact CD1-SD 3.29Å; Y44-M125 WeakPolarHBondContact CD1-SD 3.31Å; Y44-M125 HydrophobicContact CD2-CE 4.12Å; Y44-M125 HydrophobicContact CD2-CG 4Å; Y44-M125 HydrophobicContact CD2-SD 3.95Å; Y44-M125 HydrophobicContact CE1-CB 4.03Å; Y44-M125 HydrophobicContact CE1-CG 3.81Å; Y44-M125 HydrophobicContact CE1-SD 3.49Å; Y44-M125 WeakPolarHBondContact CE1-SD 3.32Å; Y44-M125 HydrophobicContact CE2-CB 4.34Å; Y44-M125 HydrophobicContact CE2-CG 3.7Å; Y44-M125 HydrophobicContact CE2-SD 4.14Å; Y44-M125 HydrophobicContact CG-CE 3.78Å; Y44-M125 HydrophobicContact CG-CG 4.19Å; Y44-M125 HydrophobicContact CG-SD 3.53Å; Y44-M125 VanDerWaalsContact CG-SD 3.53Å; Y44-M125 PolarHBondContact OH-N 2.88Å; Y44-W131 HydrophobicContact CD1-CH2 4.07Å; Y44-W131 HydrophobicContact CD1-CZ2 4.31Å; Y44-W131 HydrophobicContact CE1-CH2 4.04Å; Y44-W131 AromaticContact CE1-CZ2 3.8Å; Y44-W131 HydrophobicContact CE1-CZ2 3.8Å |
| 45 | T | 96.6 | Very high | 97.4 | Very high | 58 Ų | 58 | 38.5 Ų | 38.5 | 36% | 0.356 | 22% | 0.221 | S | C | . | . | trans | -80.7 | 165.8 | 174.6 | 70.1 | 0 | 0 | 0 | 0 | 111.2 | G47 D48 W49 | T45-G47 PolarHBondContact O-N 3.28Å; T45-G47 PolarHBondContact OG1-N 3.48Å; T45-D48 WeakPolarHBondContact CA-OD2 3.24Å; T45-D48 WeakPolarHBondContact CB-OD2 3.29Å; T45-D48 PolarHBondContact N-OD2 3.34Å; T45-D48 WeakPolarHBondContact O-CB 3.25Å; T45-D48 PolarHBondContact O-N 2.94Å; T45-D48 VanDerWaalsContact O-N 3.16Å; T45-D48 PolarHBondContact OG1-N 3.23Å; T45-D48 PolarHBondContact OG1-OD2 2.69Å; T45-W49 PolarHBondContact O-N 3.24Å | ||
| 46 | V | 97.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.8 | -31.3 | 170.7 | -179 | 0 | 0 | 0 | 0 | 112.3 | A30 L33 E34 D39 D48 W49 L50 L144 | A30-V46 HydrophobicContact CB-CG1 4.17Å; L33-V46 HydrophobicContact CB-CG1 3.95Å; L33-V46 HydrophobicContact CD1-CG1 4.22Å; E34-V46 HydrophobicContact CB-CG2 4.13Å; D39-V46 HydrophobicContact CB-CG2 3.66Å; D39-V46 PolarHBondContact OD1-N 2.96Å; V46-D48 VanDerWaalsContact C-N 3.3Å; V46-D48 PolarHBondContact O-N 3.1Å; V46-W49 PolarHBondContact O-N 3.27Å; V46-L50 HydrophobicContact CG1-CD1 4.11Å; V46-L50 HydrophobicContact CG1-CG 4.23Å; V46-L50 WeakPolarHBondContact O-CG 3.32Å; V46-L50 PolarHBondContact O-N 3.07Å; V46-L144 HydrophobicContact CB-CD2 3.97Å; V46-L144 HydrophobicContact CG1-CD2 3.84Å |
| 47 | G | 97.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.8 | -37.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T45 L50 C51 | T45-G47 PolarHBondContact O-N 3.28Å; T45-G47 PolarHBondContact OG1-N 3.48Å; G47-L50 PolarHBondContact O-N 3.19Å; G47-C51 WeakPolarHBondContact O-CB 3.5Å; G47-C51 PolarHBondContact O-N 3.03Å |
| 48 | D | 98 | Very high | 97.7 | Very high | 22 Ų | 22 | 33 Ų | 33 | 12% | 0.118 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61 | -47.7 | 175.2 | -62.1 | -60.9 | 0 | 0 | 0 | 111.3 | Y44 T45 V46 C51 V52 M125 W131 L140 | Y44-D48 WeakPolarHBondContact CA-OD2 3.48Å; Y44-D48 HydrophobicContact CD1-CB 4.36Å; T45-D48 WeakPolarHBondContact CA-OD2 3.24Å; T45-D48 WeakPolarHBondContact CB-OD2 3.29Å; T45-D48 PolarHBondContact N-OD2 3.34Å; T45-D48 WeakPolarHBondContact O-CB 3.25Å; T45-D48 PolarHBondContact O-N 2.94Å; T45-D48 VanDerWaalsContact O-N 3.16Å; T45-D48 PolarHBondContact OG1-N 3.23Å; T45-D48 PolarHBondContact OG1-OD2 2.69Å; V46-D48 VanDerWaalsContact C-N 3.3Å; V46-D48 PolarHBondContact O-N 3.1Å; D48-C51 PolarHBondContact O-N 3.36Å; D48-V52 PolarHBondContact O-N 2.92Å; D48-V52 VanDerWaalsContact O-N 3.11Å; D48-M125 HydrophobicContact CB-CE 3.96Å; D48-M125 HydrophobicContact CB-SD 4.02Å; D48-W131 HydrophobicContact CB-CH2 4.01Å; D48-W131 HydrophobicContact CB-CZ3 3.62Å; D48-W131 WeakPolarHBondContact OD1-CH2 3.46Å; D48-W131 WeakPolarHBondContact OD1-CZ3 3.27Å; D48-L140 HydrophobicContact CB-CD1 4.46Å; D48-L140 WeakPolarHBondContact OD1-CD1 3.26Å |
| 49 | W | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.2 | -37.4 | 178.2 | -66.1 | 103.9 | 0 | 0 | 0 | 113.1 | L33 L38 F41 T45 V46 A53 F77 A115 A119 M125 W128 | L33-W49 HydrophobicContact CD1-CB 3.77Å; L38-W49 HydrophobicContact CB-CG 4.28Å; L38-W49 HydrophobicContact CD1-CD2 4.04Å; L38-W49 HydrophobicContact CD1-CE3 4.46Å; L38-W49 HydrophobicContact CD1-CG 4.04Å; L38-W49 HydrophobicContact CD2-CD2 4.04Å; L38-W49 HydrophobicContact CD2-CH2 4.1Å; L38-W49 HydrophobicContact CD2-CZ2 3.58Å; L38-W49 HydrophobicContact CG-CD2 4.47Å; L38-W49 PolarHBondContact O-NE1 3.32Å; F41-W49 HydrophobicContact CD1-CZ2 4.05Å; T45-W49 PolarHBondContact O-N 3.24Å; V46-W49 PolarHBondContact O-N 3.27Å; W49-A53 WeakPolarHBondContact O-CB 3.27Å; W49-A53 PolarHBondContact O-N 2.74Å; W49-F77 AromaticContact CE3-CE1 3.97Å; W49-F77 HydrophobicContact CE3-CE1 3.97Å; W49-F77 HydrophobicContact CE3-CZ 4.36Å; W49-A115 HydrophobicContact CH2-CB 4.45Å; W49-A115 HydrophobicContact CZ3-CB 3.85Å; W49-A119 HydrophobicContact CH2-CB 3.5Å; W49-A119 HydrophobicContact CZ2-CB 3.96Å; W49-M125 HydrophobicContact CD2-CE 3.36Å; W49-M125 HydrophobicContact CE3-CE 3.6Å; W49-M125 HydrophobicContact CG-CE 3.9Å; W49-M125 HydrophobicContact CH2-CE 3.95Å; W49-M125 HydrophobicContact CZ2-CE 3.68Å; W49-M125 HydrophobicContact CZ3-CE 3.88Å; W49-W128 HydrophobicContact CH2-CH2 4.42Å; W49-W128 AromaticContact CZ3-CH2 3.97Å; W49-W128 HydrophobicContact CZ3-CH2 3.97Å; W49-W128 HydrophobicContact CZ3-CZ3 4.41Å |
| 50 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.2 | -40.2 | 173.5 | -72.9 | 171.4 | 0 | 0 | 0 | 111.6 | R26 L29 A30 L33 V46 G47 H54 F59 W143 L144 | R26-L50 HydrophobicContact CG-CD1 4.46Å; L29-L50 HydrophobicContact CB-CD2 3.87Å; L29-L50 HydrophobicContact CD2-CD2 3.73Å; L29-L50 HydrophobicContact CG-CD2 3.72Å; A30-L50 HydrophobicContact CB-CD1 3.76Å; A30-L50 HydrophobicContact CB-CD2 4.42Å; L33-L50 HydrophobicContact CD1-CD2 3.94Å; L33-L50 HydrophobicContact CD1-CG 4.13Å; V46-L50 HydrophobicContact CG1-CD1 4.11Å; V46-L50 HydrophobicContact CG1-CG 4.23Å; V46-L50 WeakPolarHBondContact O-CG 3.32Å; V46-L50 PolarHBondContact O-N 3.07Å; G47-L50 PolarHBondContact O-N 3.19Å; L50-H54 VanDerWaalsContact O-CB 3.28Å; L50-H54 WeakPolarHBondContact O-CB 3.31Å; L50-H54 PolarHBondContact O-N 2.9Å; L50-F59 HydrophobicContact CD2-CE1 4.21Å; L50-F59 HydrophobicContact CD2-CZ 4.25Å; L50-F59 VanDerWaalsContact O-CE1 3.24Å; L50-F59 WeakPolarHBondContact O-CE1 3.49Å; L50-W143 HydrophobicContact CB-CB 4.16Å; L50-W143 HydrophobicContact CB-CD2 4.2Å; L50-W143 HydrophobicContact CB-CE3 4.11Å; L50-W143 HydrophobicContact CB-CG 4.23Å; L50-W143 HydrophobicContact CD1-CB 3.94Å; L50-L144 HydrophobicContact CD1-CD2 3.8Å |
| 51 | C | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.9 | -48.8 | 177.2 | -175.9 | 0 | 0 | 0 | 0 | 111.2 | G47 D48 H54 Y55 C135 L140 | G47-C51 WeakPolarHBondContact O-CB 3.5Å; G47-C51 PolarHBondContact O-N 3.03Å; D48-C51 PolarHBondContact O-N 3.36Å; C51-H54 PolarHBondContact O-N 2.65Å; C51-Y55 WeakPolarHBondContact O-CD2 3.49Å; C51-Y55 PolarHBondContact O-N 3.31Å; C51-Y55 VanDerWaalsContact O-N 3.11Å; C51-C135 VanDerWaalsContact C-SG 3.51Å; C51-C135 HydrophobicContact CB-CB 3.83Å; C51-C135 WeakPolarHBondContact CB-SG 3.35Å; C51-C135 WeakPolarHBondContact SG-CA 3.32Å; C51-C135 WeakPolarHBondContact SG-CB 3.48Å; C51-C135 CovalentContact SG-SG 2.03Å; C51-C135 PolarHBondContact SG-SG 2.93Å; C51-L140 HydrophobicContact CB-CD1 3.76Å; C51-L140 HydrophobicContact CB-CD2 4.16Å |
| 52 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.7 | -55.7 | 175.8 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | D48 H54 Y55 E56 F77 W128 W131 | D48-V52 PolarHBondContact O-N 2.92Å; D48-V52 VanDerWaalsContact O-N 3.11Å; V52-H54 PolarHBondContact O-N 3.31Å; V52-H54 VanDerWaalsContact O-N 3.13Å; V52-Y55 PolarHBondContact O-N 3.22Å; V52-Y55 VanDerWaalsContact O-N 3.16Å; V52-E56 HydrophobicContact CG1-CG 3.73Å; V52-E56 VanDerWaalsContact O-CB 3.28Å; V52-E56 WeakPolarHBondContact O-CB 3.29Å; V52-E56 WeakPolarHBondContact O-CG 3.39Å; V52-E56 PolarHBondContact O-N 3.29Å; V52-F77 HydrophobicContact CG1-CD1 4.44Å; V52-W128 HydrophobicContact CG1-CB 4.18Å; V52-W128 HydrophobicContact CG1-CD2 3.91Å; V52-W128 HydrophobicContact CG1-CE3 4.46Å; V52-W128 HydrophobicContact CG1-CG 3.73Å; V52-W131 HydrophobicContact CG2-CB 4.03Å; V52-W131 HydrophobicContact CG2-CD2 4.48Å; V52-W131 HydrophobicContact CG2-CE3 3.77Å |
| 53 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.3 | -30.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L29 W49 S57 G58 F59 I76 F77 | L29-A53 HydrophobicContact CD2-CB 4.06Å; W49-A53 WeakPolarHBondContact O-CB 3.27Å; W49-A53 PolarHBondContact O-N 2.74Å; A53-S57 PolarHBondContact O-N 2.89Å; A53-S57 PolarHBondContact O-OG 3.2Å; A53-G58 PolarHBondContact O-N 3.01Å; A53-F59 HydrophobicContact CB-CD1 3.78Å; A53-F59 HydrophobicContact CB-CE1 3.88Å; A53-F59 PolarHBondContact O-N 3.39Å; A53-I76 HydrophobicContact CB-CG1 4.18Å; A53-F77 HydrophobicContact CB-CD1 4.2Å; A53-F77 HydrophobicContact CB-CE1 3.89Å |
| 54 | H | 98.7 | Very high | 98.2 | Very high | 73 Ų | 73 | 29.1 Ų | 29.1 | 34% | 0.338 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -69.1 | -49.4 | 176.1 | 179.7 | 70.4 | 0 | 0 | 0 | 112.1 | L50 C51 V52 G58 F59 W143 | L50-H54 VanDerWaalsContact O-CB 3.28Å; L50-H54 WeakPolarHBondContact O-CB 3.31Å; L50-H54 PolarHBondContact O-N 2.9Å; C51-H54 PolarHBondContact O-N 2.65Å; V52-H54 PolarHBondContact O-N 3.31Å; V52-H54 VanDerWaalsContact O-N 3.13Å; H54-G58 WeakPolarHBondContact O-CA 3.29Å; H54-G58 PolarHBondContact O-N 3.47Å; H54-F59 HydrophobicContact CB-CD1 4.38Å; H54-F59 HydrophobicContact CB-CE1 3.65Å; H54-F59 HydrophobicContact CB-CE2 4.41Å; H54-F59 HydrophobicContact CB-CZ 3.66Å; H54-F59 VanDerWaalsContact N-CE1 3.31Å; H54-W143 HydrophobicContact CB-CH2 3.53Å; H54-W143 HydrophobicContact CB-CZ2 4.11Å; H54-W143 HydrophobicContact CB-CZ3 4.05Å; H54-W143 AromaticContact CD2-CH2 3.52Å; H54-W143 AromaticContact CG-CH2 3.32Å; H54-W143 AromaticContact ND1-CH2 3.81Å |
| 55 | Y | 98.5 | Very high | 98.2 | Very high | 111 Ų | 111 | 31 Ų | 31 | 44% | 0.435 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -78.1 | -25.5 | -176.5 | -77.6 | -74.2 | 0 | 0 | 0 | 113.1 | C51 V52 H134 | C51-Y55 WeakPolarHBondContact O-CD2 3.49Å; C51-Y55 PolarHBondContact O-N 3.31Å; C51-Y55 VanDerWaalsContact O-N 3.11Å; V52-Y55 PolarHBondContact O-N 3.22Å; V52-Y55 VanDerWaalsContact O-N 3.16Å; Y55-H134 HydrophobicContact CD1-CB 4.19Å; Y55-H134 AromaticContact CD1-CD2 3.45Å; Y55-H134 VanDerWaalsContact CD1-CD2 3.45Å; Y55-H134 WeakPolarHBondContact CD1-CD2 3.49Å; Y55-H134 AromaticContact CD1-CG 3.76Å; Y55-H134 AromaticContact CD1-NE2 3.97Å; Y55-H134 HydrophobicContact CD2-CB 3.57Å; Y55-H134 HydrophobicContact CE1-CB 4.03Å; Y55-H134 AromaticContact CE1-CD2 3.79Å; Y55-H134 AromaticContact CE1-CG 3.65Å; Y55-H134 AromaticContact CE1-ND1 3.94Å; Y55-H134 HydrophobicContact CE2-CB 3.4Å; Y55-H134 AromaticContact CE2-CG 3.99Å; Y55-H134 HydrophobicContact CG-CB 3.98Å; Y55-H134 AromaticContact CG-CD2 3.7Å; Y55-H134 AromaticContact CG-CG 3.98Å; Y55-H134 AromaticContact CZ-CG 3.76Å |
| 56 | E | 98.5 | Very high | 98.3 | Very high | 28 Ų | 28 | 34.7 Ų | 34.7 | 13% | 0.131 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -76.8 | -43.4 | 176.3 | -69.8 | -58.7 | 160.2 | 0 | 0 | 112.4 | V52 F63 Q78 W128 S130 | V52-E56 HydrophobicContact CG1-CG 3.73Å; V52-E56 VanDerWaalsContact O-CB 3.28Å; V52-E56 WeakPolarHBondContact O-CB 3.29Å; V52-E56 WeakPolarHBondContact O-CG 3.39Å; V52-E56 PolarHBondContact O-N 3.29Å; E56-F63 WeakPolarHBondContact O-CD1 3.49Å; E56-F63 VanDerWaalsContact O-CE1 3.31Å; E56-F63 WeakPolarHBondContact O-CE1 3.38Å; E56-Q78 HydrophobicContact CB-CB 4.12Å; E56-Q78 HydrophobicContact CB-CG 3.71Å; E56-Q78 HydrophobicContact CG-CB 4.45Å; E56-Q78 VanDerWaalsContact O-CG 3.3Å; E56-Q78 WeakPolarHBondContact O-CG 3.36Å; E56-Q78 WeakPolarHBondContact OE2-CB 3.44Å; E56-W128 WeakPolarHBondContact OE1-CB 3.3Å; E56-S130 VanDerWaalsContact CD-OG 3.26Å; E56-S130 WeakPolarHBondContact CG-OG 3.08Å; E56-S130 WeakPolarHBondContact OE1-CB 3.2Å; E56-S130 PolarHBondContact OE1-OG 3.16Å |
| 57 | S | 98.6 | Very high | 98.3 | Very high | 14 Ų | 14 | 36.7 Ų | 36.7 | 10% | 0.098 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -140.2 | 1.7 | -173.8 | 84.4 | 0 | 0 | 0 | 0 | 116.3 | A53 F59 D60 I76 | A53-S57 PolarHBondContact O-N 2.89Å; A53-S57 PolarHBondContact O-OG 3.2Å; S57-F59 PolarHBondContact O-N 3.28Å; S57-F59 PolarHBondContact OG-N 3.43Å; S57-D60 WeakPolarHBondContact CB-O 3.19Å; S57-D60 WeakPolarHBondContact O-CB 3.29Å; S57-D60 PolarHBondContact O-N 3.38Å; S57-D60 VanDerWaalsContact O-N 3.12Å; S57-D60 PolarHBondContact OG-N 2.95Å; S57-D60 PolarHBondContact OG-O 3.16Å; S57-I76 WeakPolarHBondContact OG-CA 3.13Å; S57-I76 PolarHBondContact OG-O 2.95Å |
| 58 | G | 98.4 | Very high | 98.3 | Very high | 37 Ų | 37 | 43.6 Ų | 43.6 | 38% | 0.381 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 25.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113 | A53 H54 D60 | A53-G58 PolarHBondContact O-N 3.01Å; H54-G58 WeakPolarHBondContact O-CA 3.29Å; H54-G58 PolarHBondContact O-N 3.47Å; G58-D60 VanDerWaalsContact C-N 3.27Å; G58-D60 PolarHBondContact O-N 3.04Å |
| 59 | F | 98.7 | Very high | 98.2 | Very high | 13 Ų | 13 | 48.2 Ų | 48.2 | 6% | 0.057 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 14 | -172.7 | -48.2 | -43.3 | 0 | 0 | 0 | 116.1 | I23 Y24 R26 L29 L50 A53 H54 S57 W143 | I23-F59 WeakPolarHBondContact CA-O 3.47Å; Y24-F59 PolarHBondContact N-O 2.93Å; Y24-F59 WeakPolarHBondContact O-CB 3.39Å; R26-F59 HydrophobicContact CB-CE2 4.08Å; L29-F59 HydrophobicContact CD2-CB 4.36Å; L29-F59 HydrophobicContact CD2-CD1 3.32Å; L29-F59 HydrophobicContact CD2-CE1 3.64Å; L29-F59 HydrophobicContact CD2-CG 3.95Å; L50-F59 HydrophobicContact CD2-CE1 4.21Å; L50-F59 HydrophobicContact CD2-CZ 4.25Å; L50-F59 VanDerWaalsContact O-CE1 3.24Å; L50-F59 WeakPolarHBondContact O-CE1 3.49Å; A53-F59 HydrophobicContact CB-CD1 3.78Å; A53-F59 HydrophobicContact CB-CE1 3.88Å; A53-F59 PolarHBondContact O-N 3.39Å; H54-F59 HydrophobicContact CB-CD1 4.38Å; H54-F59 HydrophobicContact CB-CE1 3.65Å; H54-F59 HydrophobicContact CB-CE2 4.41Å; H54-F59 HydrophobicContact CB-CZ 3.66Å; H54-F59 VanDerWaalsContact N-CE1 3.31Å; S57-F59 PolarHBondContact O-N 3.28Å; S57-F59 PolarHBondContact OG-N 3.43Å; F59-W143 HydrophobicContact CE2-CZ3 4.16Å; F59-W143 HydrophobicContact CZ-CE3 4.21Å; F59-W143 HydrophobicContact CZ-CH2 4.45Å; F59-W143 AromaticContact CZ-CZ3 3.68Å; F59-W143 HydrophobicContact CZ-CZ3 3.68Å |
| 60 | D | 98.5 | Very high | 98.1 | Very high | 36 Ų | 36 | 50.3 Ų | 50.3 | 19% | 0.193 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -83.1 | 123.1 | 174.4 | -166.9 | -17.5 | 0 | 0 | 0 | 110.7 | I23 S57 G58 S62 F63 | I23-D60 HydrophobicContact CG1-CB 3.94Å; S57-D60 WeakPolarHBondContact CB-O 3.19Å; S57-D60 WeakPolarHBondContact O-CB 3.29Å; S57-D60 PolarHBondContact O-N 3.38Å; S57-D60 VanDerWaalsContact O-N 3.12Å; S57-D60 PolarHBondContact OG-N 2.95Å; S57-D60 PolarHBondContact OG-O 3.16Å; G58-D60 VanDerWaalsContact C-N 3.27Å; G58-D60 PolarHBondContact O-N 3.04Å; D60-S62 VanDerWaalsContact C-N 3.33Å; D60-S62 VanDerWaalsContact CG-OG 3.3Å; D60-S62 WeakPolarHBondContact OD1-CB 3.36Å; D60-S62 PolarHBondContact OD1-N 3.41Å; D60-S62 PolarHBondContact OD1-OG 3.02Å; D60-S62 PolarHBondContact OD2-OG 3.28Å; D60-F63 HydrophobicContact CB-CB 4.29Å |
| 61 | T | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -18.2 | 174.6 | 66.7 | 0 | 0 | 0 | 0 | 112.8 | K22 Y24 F63 G75 I76 L104 N105 I108 | K22-T61 PolarHBondContact N-OG1 3.3Å; K22-T61 WeakPolarHBondContact O-CG2 3.4Å; K22-T61 PolarHBondContact O-N 3.23Å; K22-T61 PolarHBondContact O-OG1 2.72Å; Y24-T61 HydrophobicContact CD2-CG2 3.96Å; Y24-T61 HydrophobicContact CE2-CG2 3.71Å; T61-F63 VanDerWaalsContact C-N 3.32Å; T61-G75 WeakPolarHBondContact O-CA 3.35Å; T61-I76 HydrophobicContact CG2-CB 4.32Å; T61-I76 HydrophobicContact CG2-CD1 4.41Å; T61-L104 VanDerWaalsContact O-CA 3.3Å; T61-L104 WeakPolarHBondContact O-CA 3.38Å; T61-N105 WeakPolarHBondContact CB-O 3.47Å; T61-N105 PolarHBondContact OG1-O 3.18Å; T61-I108 HydrophobicContact CG2-CG2 3.5Å; T61-I108 VanDerWaalsContact CG2-CG2 3.5Å |
| 62 | S | 97.1 | Very high | 98 | Very high | 56 Ų | 56 | 50.8 Ų | 50.8 | 39% | 0.392 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -3.8 | 178.5 | 60.8 | 0 | 0 | 0 | 0 | 114.2 | D60 V64 | D60-S62 VanDerWaalsContact C-N 3.33Å; D60-S62 VanDerWaalsContact CG-OG 3.3Å; D60-S62 WeakPolarHBondContact OD1-CB 3.36Å; D60-S62 PolarHBondContact OD1-N 3.41Å; D60-S62 PolarHBondContact OD1-OG 3.02Å; D60-S62 PolarHBondContact OD2-OG 3.28Å; S62-V64 PolarHBondContact O-N 3.31Å |
| 63 | F | 98.2 | Very high | 98 | Very high | 83 Ų | 83 | 53 Ų | 53 | 36% | 0.364 | 30% | 0.297 | S | S | . | . | trans | -68.5 | 127 | -172.9 | -169 | -129.4 | 0 | 0 | 0 | 111.2 | E56 D60 T61 D65 G75 Q78 | E56-F63 WeakPolarHBondContact O-CD1 3.49Å; E56-F63 VanDerWaalsContact O-CE1 3.31Å; E56-F63 WeakPolarHBondContact O-CE1 3.38Å; D60-F63 HydrophobicContact CB-CB 4.29Å; T61-F63 VanDerWaalsContact C-N 3.32Å; F63-D65 HydrophobicContact CE1-CB 4.44Å; F63-D65 HydrophobicContact CZ-CB 4.39Å; F63-G75 PolarHBondContact O-N 3.45Å; F63-Q78 HydrophobicContact CD1-CG 4.3Å; F63-Q78 PolarHBondContact O-NE2 3.5Å | ||
| 64 | V | 98.4 | Very high | 98 | Very high | 41 Ų | 41 | 53.9 Ų | 53.9 | 25% | 0.248 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 122.9 | 175.1 | 179.3 | 0 | 0 | 0 | 0 | 107.8 | S62 E73 Y74 L104 | S62-V64 PolarHBondContact O-N 3.31Å; V64-E73 VanDerWaalsContact CA-O 3.27Å; V64-E73 WeakPolarHBondContact CA-O 3.35Å; V64-Y74 HydrophobicContact CG1-CD1 4.32Å; V64-Y74 HydrophobicContact CG1-CE1 4.11Å; V64-Y74 HydrophobicContact CG2-CD1 3.89Å; V64-Y74 HydrophobicContact CG2-CE1 4.22Å; V64-L104 HydrophobicContact CG2-CD1 3.91Å; V64-L104 HydrophobicContact CG2-CD2 3.58Å; V64-L104 HydrophobicContact CG2-CG 4.41Å |
| 65 | D | 98.1 | Very high | 98 | Very high | 79 Ų | 79 | 50.4 Ų | 50.4 | 42% | 0.422 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 146.4 | 170.6 | -163.7 | 15.9 | 0 | 0 | 0 | 110.9 | F63 S72 E73 | F63-D65 HydrophobicContact CE1-CB 4.44Å; F63-D65 HydrophobicContact CZ-CB 4.39Å; D65-S72 CarbonylContact O-C 3.46Å; D65-S72 WeakPolarHBondContact O-CA 3.45Å; D65-S72 VanDerWaalsContact O-CB 3.26Å; D65-S72 WeakPolarHBondContact O-CB 3.04Å; D65-E73 PolarHBondContact N-O 3.14Å; D65-E73 VanDerWaalsContact N-O 3.08Å; D65-E73 PolarHBondContact O-N 2.71Å |
| 66 | H | 98.1 | Very high | 98 | Very high | 135 Ų | 135 | 45.1 Ų | 45.1 | 63% | 0.625 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 120.9 | -175.1 | -64.5 | -57.9 | 0 | 0 | 0 | 110.5 | S72 | H66-S72 PolarHBondContact ND1-OG 2.91Å |
| 67 | N | 97.5 | Very high | 98 | Very high | 42 Ų | 42 | 43.8 Ų | 43.8 | 23% | 0.225 | 26% | 0.257 | C | S | . | . | trans | -86.8 | 149.9 | -178.2 | -67.1 | -44.5 | 0 | 0 | 0 | 111.9 | D69 G70 S71 N80 | N67-D69 WeakPolarHBondContact CB-OD1 3.3Å; N67-D69 PolarHBondContact O-N 2.91Å; N67-D69 VanDerWaalsContact O-N 3.1Å; N67-G70 PolarHBondContact O-N 2.79Å; N67-S71 WeakPolarHBondContact CB-OG 3.01Å; N67-S71 PolarHBondContact N-O 3.47Å; N67-S71 PolarHBondContact ND2-OG 3.19Å; N67-N80 PolarHBondContact ND2-ND2 2.77Å; N67-N80 VanDerWaalsContact ND2-ND2 3.1Å | ||
| 68 | P | 96.9 | Very high | 98.1 | Very high | 144 Ų | 144 | 43.4 Ų | 43.4 | 94% | 0.935 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -22 | 177.2 | -25.9 | 34.9 | 0 | 0 | 0 | 114.9 | G70 | P68-G70 PolarHBondContact O-N 3.49Š|
| 69 | D | 95.9 | Very high | 98.1 | Very high | 120 Ų | 120 | 41.7 Ų | 41.7 | 64% | 0.642 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -0.5 | 177.5 | 71.6 | -7.3 | 0 | 0 | 0 | 113.6 | N67 S71 | N67-D69 WeakPolarHBondContact CB-OD1 3.3Å; N67-D69 PolarHBondContact O-N 2.91Å; N67-D69 VanDerWaalsContact O-N 3.1Å; D69-S71 VanDerWaalsContact C-N 3.32Å; D69-S71 VanDerWaalsContact OD1-CB 3.27Å; D69-S71 WeakPolarHBondContact OD1-CB 3.16Å; D69-S71 PolarHBondContact OD1-N 3.43Å; D69-S71 PolarHBondContact OD1-OG 2.92Å; D69-S71 PolarHBondContact OD2-OG 3.44Å |
| 70 | G | 96.4 | Very high | 98.1 | Very high | 44 Ų | 44 | 42 Ų | 42 | 45% | 0.454 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 83.6 | 2.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | N67 P68 T90 | N67-G70 PolarHBondContact O-N 2.79Å; P68-G70 PolarHBondContact O-N 3.49Å; G70-T90 PolarHBondContact O-OG1 3.2Å |
| 71 | S | 98.2 | Very high | 98.1 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | trans | -75.9 | 167.7 | 162.8 | 72.1 | 0 | 0 | 0 | 0 | 110.8 | N67 D69 N80 | N67-S71 WeakPolarHBondContact CB-OG 3.01Å; N67-S71 PolarHBondContact N-O 3.47Å; N67-S71 PolarHBondContact ND2-OG 3.19Å; D69-S71 VanDerWaalsContact C-N 3.32Å; D69-S71 VanDerWaalsContact OD1-CB 3.27Å; D69-S71 WeakPolarHBondContact OD1-CB 3.16Å; D69-S71 PolarHBondContact OD1-N 3.43Å; D69-S71 PolarHBondContact OD1-OG 2.92Å; D69-S71 PolarHBondContact OD2-OG 3.44Å; S71-N80 WeakPolarHBondContact CB-OD1 3.18Å; S71-N80 PolarHBondContact OG-ND2 3.28Å | ||
| 72 | S | 98.6 | Very high | 98 | Very high | 10 Ų | 10 | 41.3 Ų | 41.3 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 151.7 | 173.5 | -56.1 | 0 | 0 | 0 | 0 | 109.5 | D65 H66 Y74 N80 S81 | D65-S72 CarbonylContact O-C 3.46Å; D65-S72 WeakPolarHBondContact O-CA 3.45Å; D65-S72 VanDerWaalsContact O-CB 3.26Å; D65-S72 WeakPolarHBondContact O-CB 3.04Å; H66-S72 PolarHBondContact ND1-OG 2.91Å; S72-Y74 VanDerWaalsContact CB-CE2 3.49Å; S72-Y74 VanDerWaalsContact O-CD2 3.32Å; S72-Y74 WeakPolarHBondContact O-CD2 3.32Å; S72-Y74 VanDerWaalsContact O-CE2 3.27Å; S72-Y74 WeakPolarHBondContact O-CE2 3.28Å; S72-N80 CarbonylContact O-C 3.58Å; S72-N80 WeakPolarHBondContact O-CA 3.15Å; S72-S81 PolarHBondContact N-OG 3.41Å; S72-S81 PolarHBondContact O-N 3.3Å; S72-S81 PolarHBondContact O-OG 3.14Å |
| 73 | E | 98.6 | Very high | 98.1 | Very high | 45 Ų | 45 | 45.2 Ų | 45.2 | 21% | 0.21 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 136.3 | 179.8 | -51 | -144.8 | 153.7 | 0 | 0 | 109.5 | V64 D65 Q78 N80 | V64-E73 VanDerWaalsContact CA-O 3.27Å; V64-E73 WeakPolarHBondContact CA-O 3.35Å; D65-E73 PolarHBondContact N-O 3.14Å; D65-E73 VanDerWaalsContact N-O 3.08Å; D65-E73 PolarHBondContact O-N 2.71Å; E73-Q78 HydrophobicContact CB-CB 3.81Å; E73-Q78 HydrophobicContact CB-CG 4.45Å; E73-Q78 WeakPolarHBondContact OE2-CB 3.48Å; E73-N80 HydrophobicContact CG-CB 4.11Å; E73-N80 WeakPolarHBondContact OE1-CB 3.35Å; E73-N80 PolarHBondContact OE1-ND2 2.79Å |
| 74 | Y | 98.7 | Very high | 98.1 | Very high | 19 Ų | 19 | 43 Ų | 43 | 8% | 0.075 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 137.7 | -166.4 | -66.7 | -101 | 0 | 0 | 0 | 112 | V64 S72 Q78 L79 N87 C100 L104 | V64-Y74 HydrophobicContact CG1-CD1 4.32Å; V64-Y74 HydrophobicContact CG1-CE1 4.11Å; V64-Y74 HydrophobicContact CG2-CD1 3.89Å; V64-Y74 HydrophobicContact CG2-CE1 4.22Å; S72-Y74 VanDerWaalsContact CB-CE2 3.49Å; S72-Y74 VanDerWaalsContact O-CD2 3.32Å; S72-Y74 WeakPolarHBondContact O-CD2 3.32Å; S72-Y74 VanDerWaalsContact O-CE2 3.27Å; S72-Y74 WeakPolarHBondContact O-CE2 3.28Å; Y74-Q78 WeakPolarHBondContact O-CA 3.5Å; Y74-Q78 PolarHBondContact O-N 2.89Å; Y74-L79 PolarHBondContact N-O 2.54Å; Y74-L79 PolarHBondContact O-N 3.19Å; Y74-N87 HydrophobicContact CE2-CB 4.41Å; Y74-N87 WeakPolarHBondContact OH-CB 3.32Å; Y74-N87 PolarHBondContact OH-ND2 3.31Å; Y74-C100 HydrophobicContact CD1-CB 3.73Å; Y74-C100 HydrophobicContact CD2-CB 3.7Å; Y74-C100 HydrophobicContact CE1-CB 3.78Å; Y74-C100 HydrophobicContact CE2-CB 3.75Å; Y74-C100 HydrophobicContact CG-CB 3.7Å; Y74-L104 HydrophobicContact CD1-CD1 4.1Å; Y74-L104 HydrophobicContact CD1-CD2 4.06Å; Y74-L104 HydrophobicContact CD1-CG 4.24Å |
| 75 | G | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | -165.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | T61 F63 F77 Q78 L103 | T61-G75 WeakPolarHBondContact O-CA 3.35Å; F63-G75 PolarHBondContact O-N 3.45Å; G75-F77 PolarHBondContact O-N 3.45Å; G75-F77 VanDerWaalsContact O-N 3.15Å; G75-Q78 PolarHBondContact O-N 3.21Å; G75-Q78 VanDerWaalsContact O-N 3.07Å; G75-Q78 PolarHBondContact O-NE2 3.35Å; G75-L103 WeakPolarHBondContact CA-O 3.4Å |
| 76 | I | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -20.5 | -166.5 | -159.5 | 172.6 | 0 | 0 | 0 | 114.3 | Y24 L29 A53 S57 T61 I108 D111 | Y24-I76 HydrophobicContact CD2-CD1 3.93Å; L29-I76 HydrophobicContact CD1-CD1 3.84Å; L29-I76 HydrophobicContact CD2-CD1 3.79Å; L29-I76 HydrophobicContact CG-CD1 4.49Å; A53-I76 HydrophobicContact CB-CG1 4.18Å; S57-I76 WeakPolarHBondContact OG-CA 3.13Å; S57-I76 PolarHBondContact OG-O 2.95Å; T61-I76 HydrophobicContact CG2-CB 4.32Å; T61-I76 HydrophobicContact CG2-CD1 4.41Å; I76-I108 HydrophobicContact CG2-CG2 4.26Å; I76-D111 HydrophobicContact CG2-CB 4.24Å |
| 77 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 12.9 | 176.6 | -63 | -66.2 | 0 | 0 | 0 | 112.8 | L33 W49 V52 A53 G75 L79 D111 I112 A115 W128 | L33-F77 HydrophobicContact CD2-CZ 3.8Å; W49-F77 AromaticContact CE3-CE1 3.97Å; W49-F77 HydrophobicContact CE3-CE1 3.97Å; W49-F77 HydrophobicContact CE3-CZ 4.36Å; V52-F77 HydrophobicContact CG1-CD1 4.44Å; A53-F77 HydrophobicContact CB-CD1 4.2Å; A53-F77 HydrophobicContact CB-CE1 3.89Å; G75-F77 PolarHBondContact O-N 3.45Å; G75-F77 VanDerWaalsContact O-N 3.15Å; F77-L79 HydrophobicContact CB-CD2 4.43Å; F77-L79 HydrophobicContact CB-CG 4.27Å; F77-L79 PolarHBondContact O-N 2.75Å; F77-D111 HydrophobicContact CD2-CB 4.09Å; F77-D111 HydrophobicContact CE2-CB 4.41Å; F77-I112 HydrophobicContact CE2-CG1 3.97Å; F77-I112 HydrophobicContact CZ-CG1 4.48Å; F77-A115 HydrophobicContact CB-CB 4.34Å; F77-A115 HydrophobicContact CD2-CB 3.67Å; F77-A115 HydrophobicContact CE2-CB 4.04Å; F77-A115 HydrophobicContact CG-CB 3.94Å; F77-W128 PolarHBondContact O-NE1 3.4Å |
| 78 | Q | 98.7 | Very high | 98.2 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 3% | 0.033 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 59.1 | 178.5 | -68.7 | -61.9 | -78 | 0 | 0 | 112.3 | E56 F63 E73 Y74 G75 N80 | E56-Q78 HydrophobicContact CB-CB 4.12Å; E56-Q78 HydrophobicContact CB-CG 3.71Å; E56-Q78 HydrophobicContact CG-CB 4.45Å; E56-Q78 VanDerWaalsContact O-CG 3.3Å; E56-Q78 WeakPolarHBondContact O-CG 3.36Å; E56-Q78 WeakPolarHBondContact OE2-CB 3.44Å; F63-Q78 HydrophobicContact CD1-CG 4.3Å; F63-Q78 PolarHBondContact O-NE2 3.5Å; E73-Q78 HydrophobicContact CB-CB 3.81Å; E73-Q78 HydrophobicContact CB-CG 4.45Å; E73-Q78 WeakPolarHBondContact OE2-CB 3.48Å; Y74-Q78 WeakPolarHBondContact O-CA 3.5Å; Y74-Q78 PolarHBondContact O-N 2.89Å; G75-Q78 PolarHBondContact O-N 3.21Å; G75-Q78 VanDerWaalsContact O-N 3.07Å; G75-Q78 PolarHBondContact O-NE2 3.35Å; Q78-N80 PolarHBondContact O-N 2.65Å |
| 79 | L | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 110.8 | -177 | -63.6 | 165.1 | 0 | 0 | 0 | 109.9 | Y74 F77 W84 L103 C114 V118 | Y74-L79 PolarHBondContact N-O 2.54Å; Y74-L79 PolarHBondContact O-N 3.19Å; F77-L79 HydrophobicContact CB-CD2 4.43Å; F77-L79 HydrophobicContact CB-CG 4.27Å; F77-L79 PolarHBondContact O-N 2.75Å; L79-W84 HydrophobicContact CB-CB 4.3Å; L79-L103 HydrophobicContact CB-CD1 3.77Å; L79-L103 HydrophobicContact CD1-CD1 3.72Å; L79-L103 HydrophobicContact CD1-CD2 3.65Å; L79-L103 HydrophobicContact CD1-CG 4.32Å; L79-L103 HydrophobicContact CG-CD1 4.36Å; L79-C114 HydrophobicContact CD1-CB 3.69Å; L79-V118 HydrophobicContact CD2-CG2 3.72Å |
| 80 | N | 98.4 | Very high | 98.2 | Very high | 20 Ų | 20 | 31 Ų | 31 | 11% | 0.107 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 132.1 | -173.9 | -169 | -61.7 | 0 | 0 | 0 | 114.3 | N67 S71 S72 E73 Q78 A82 W83 W84 | N67-N80 PolarHBondContact ND2-ND2 2.77Å; N67-N80 VanDerWaalsContact ND2-ND2 3.1Å; S71-N80 WeakPolarHBondContact CB-OD1 3.18Å; S71-N80 PolarHBondContact OG-ND2 3.28Å; S72-N80 CarbonylContact O-C 3.58Å; S72-N80 WeakPolarHBondContact O-CA 3.15Å; E73-N80 HydrophobicContact CG-CB 4.11Å; E73-N80 WeakPolarHBondContact OE1-CB 3.35Å; E73-N80 PolarHBondContact OE1-ND2 2.79Å; Q78-N80 PolarHBondContact O-N 2.65Å; N80-A82 VanDerWaalsContact C-N 3.3Å; N80-A82 PolarHBondContact O-N 3.3Å; N80-A82 WeakPolarHBondContact OD1-CB 3.23Å; N80-A82 PolarHBondContact OD1-N 3.07Å; N80-W83 PolarHBondContact O-N 3.02Å; N80-W84 PolarHBondContact O-N 3.32Å |
| 81 | S | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -21.6 | 179.5 | 63.7 | 0 | 0 | 0 | 0 | 114.8 | S72 W83 N87 T90 T92 | S72-S81 PolarHBondContact N-OG 3.41Å; S72-S81 PolarHBondContact O-N 3.3Å; S72-S81 PolarHBondContact O-OG 3.14Å; S81-W83 PolarHBondContact O-N 3.09Å; S81-N87 PolarHBondContact OG-ND2 3.49Å; S81-T90 PolarHBondContact OG-OG1 3.25Å; S81-T90 VanDerWaalsContact OG-OG1 3.13Å; S81-T92 WeakPolarHBondContact O-CB 3.38Å; S81-T92 PolarHBondContact O-OG1 2.99Å |
| 82 | A | 98.1 | Very high | 98.3 | Very high | 20 Ų | 20 | 36.6 Ų | 36.6 | 17% | 0.165 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -16.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | N80 T90 T92 | N80-A82 VanDerWaalsContact C-N 3.3Å; N80-A82 PolarHBondContact O-N 3.3Å; N80-A82 WeakPolarHBondContact OD1-CB 3.23Å; N80-A82 PolarHBondContact OD1-N 3.07Å; A82-T90 HydrophobicContact CB-CG2 4.29Å; A82-T92 PolarHBondContact O-OG1 2.96Å |
| 83 | W | 98.1 | Very high | 98.2 | Very high | 138 Ų | 138 | 42.2 Ų | 42.2 | 52% | 0.523 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.7 | -47.1 | -173.2 | -56.7 | 93.8 | 0 | 0 | 0 | 114.2 | N80 S81 Q93 N94 L95 | N80-W83 PolarHBondContact O-N 3.02Å; S81-W83 PolarHBondContact O-N 3.09Å; W83-Q93 VanDerWaalsContact CE3-NE2 3.34Å; W83-N94 PolarHBondContact O-N 3.4Å; W83-L95 WeakPolarHBondContact O-CB 3.27Å; W83-L95 WeakPolarHBondContact O-CG 3.45Å; W83-L95 PolarHBondContact O-N 3.11Å |
| 84 | W | 98.7 | Very high | 98.2 | Very high | 37 Ų | 37 | 41.4 Ų | 41.4 | 14% | 0.14 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -42.3 | -159.1 | -61.2 | 114.3 | 0 | 0 | 0 | 113.5 | L79 N80 N94 L95 C96 R117 V118 | L79-W84 HydrophobicContact CB-CB 4.3Å; N80-W84 PolarHBondContact O-N 3.32Å; W84-N94 CarbonylContact O-C 3.58Å; W84-N94 PolarHBondContact O-OD1 3.11Å; W84-L95 HydrophobicContact CE3-CB 3.73Å; W84-L95 HydrophobicContact CE3-CD1 4.04Å; W84-L95 HydrophobicContact CH2-CD1 4.06Å; W84-L95 HydrophobicContact CZ3-CB 3.86Å; W84-L95 HydrophobicContact CZ3-CD1 3.69Å; W84-L95 HydrophobicContact CZ3-CG 4.45Å; W84-L95 PolarHBondContact O-N 3.29Å; W84-C96 WeakPolarHBondContact O-CB 3.25Å; W84-C96 PolarHBondContact O-N 3.48Å; W84-R117 HydrophobicContact CZ3-CB 4.34Å; W84-V118 HydrophobicContact CD2-CG2 3.47Å; W84-V118 VanDerWaalsContact CD2-CG2 3.47Å; W84-V118 HydrophobicContact CE3-CG2 3.74Å; W84-V118 HydrophobicContact CG-CG2 4.03Å; W84-V118 HydrophobicContact CH2-CB 4.19Å; W84-V118 HydrophobicContact CH2-CG1 4.45Å; W84-V118 HydrophobicContact CH2-CG2 3.93Å; W84-V118 HydrophobicContact CZ2-CB 3.96Å; W84-V118 HydrophobicContact CZ2-CG1 3.83Å; W84-V118 HydrophobicContact CZ2-CG2 3.64Å; W84-V118 HydrophobicContact CZ3-CG2 3.97Å |
| 85 | C | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -125.3 | 169.1 | 178.9 | 65.4 | 0 | 0 | 0 | 0 | 110.8 | T92 N94 I98 C100 L103 | C85-T92 PolarHBondContact O-OG1 3.49Å; C85-N94 WeakPolarHBondContact CA-OD1 3.41Å; C85-I98 HydrophobicContact CB-CD1 4.19Å; C85-I98 HydrophobicContact CB-CG1 3.77Å; C85-C100 HydrophobicContact CB-CB 3.92Å; C85-C100 WeakPolarHBondContact CB-SG 3.28Å; C85-C100 VanDerWaalsContact SG-CA 3.53Å; C85-C100 WeakPolarHBondContact SG-CB 3.35Å; C85-C100 CovalentContact SG-SG 2.04Å; C85-C100 PolarHBondContact SG-SG 3.2Å; C85-L103 HydrophobicContact CB-CD1 3.99Å |
| 86 | N | 98.6 | Very high | 98.2 | Very high | 61 Ų | 61 | 44.4 Ų | 44.4 | 33% | 0.326 | 25% | 0.247 | S | C | . | . | B | Isolated β-bridge | trans | -114.1 | 125 | 176.1 | -172.6 | -0.6 | 0 | 0 | 0 | 111.5 | G88 T92 N94 I98 D99 C100 | N86-G88 PolarHBondContact OD1-N 3.02Å; N86-T92 HydrophobicContact CB-CG2 3.91Å; N86-N94 HydrophobicContact CB-CB 4.2Å; N86-I98 PolarHBondContact N-O 3.01Å; N86-D99 CarbonylContact O-C 3.59Å; N86-D99 WeakPolarHBondContact O-CA 3.44Å; N86-C100 PolarHBondContact N-SG 3.4Å; N86-C100 VanDerWaalsContact N-SG 3.4Å; N86-C100 PolarHBondContact O-N 3.5Å |
| 87 | N | 97.9 | Very high | 98.2 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 12% | 0.118 | 28% | 0.281 | C | S | . | . | trans | -106.7 | 3 | 175 | 68.5 | -1.2 | 0 | 0 | 0 | 113.3 | Y74 S81 I89 T90 C100 | Y74-N87 HydrophobicContact CE2-CB 4.41Å; Y74-N87 WeakPolarHBondContact OH-CB 3.32Å; Y74-N87 PolarHBondContact OH-ND2 3.31Å; S81-N87 PolarHBondContact OG-ND2 3.49Å; N87-I89 PolarHBondContact O-N 3.47Å; N87-I89 PolarHBondContact OD1-N 2.92Å; N87-T90 PolarHBondContact ND2-OG1 3.23Å; N87-T90 PolarHBondContact OD1-N 2.92Å; N87-C100 HydrophobicContact CB-CB 4.03Å | ||
| 88 | G | 97.8 | Very high | 98.2 | Very high | 69 Ų | 69 | 52.3 Ų | 52.3 | 71% | 0.711 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 72.4 | 2.9 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | N86 | N86-G88 PolarHBondContact OD1-N 3.02Š|
| 89 | I | 96.8 | Very high | 98.1 | Very high | 137 Ų | 137 | 55.4 Ų | 55.4 | 70% | 0.703 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -114 | -52.1 | -176.2 | -60.4 | 167.5 | 0 | 0 | 0 | 110.1 | N87 | N87-I89 PolarHBondContact O-N 3.47Å; N87-I89 PolarHBondContact OD1-N 2.92Å |
| 90 | T | 96.9 | Very high | 98.1 | Very high | 19 Ų | 19 | 55.4 Ų | 55.4 | 12% | 0.117 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -89.8 | 130 | -176.9 | -40.2 | 0 | 0 | 0 | 0 | 110 | G70 S81 A82 N87 T92 | G70-T90 PolarHBondContact O-OG1 3.2Å; S81-T90 PolarHBondContact OG-OG1 3.25Å; S81-T90 VanDerWaalsContact OG-OG1 3.13Å; A82-T90 HydrophobicContact CB-CG2 4.29Å; N87-T90 PolarHBondContact ND2-OG1 3.23Å; N87-T90 PolarHBondContact OD1-N 2.92Å; T90-T92 PolarHBondContact O-N 3.24Å |
| 91 | P | 98 | Very high | 98 | Very high | 121 Ų | 121 | 59.1 Ų | 59.1 | 79% | 0.786 | 33% | 0.326 | S | S | * | . | trans | -56.7 | 133.2 | 170.4 | -24.5 | 34.5 | 0 | 0 | 0 | 111.2 | ||||
| 92 | T | 98.2 | Very high | 98 | Very high | 43 Ų | 43 | 61.8 Ų | 61.8 | 26% | 0.264 | 34% | 0.34 | S | S | . | . | trans | -149.3 | 151.9 | -169.9 | -172.6 | 0 | 0 | 0 | 0 | 113 | S81 A82 C85 N86 T90 N94 | S81-T92 WeakPolarHBondContact O-CB 3.38Å; S81-T92 PolarHBondContact O-OG1 2.99Å; A82-T92 PolarHBondContact O-OG1 2.96Å; C85-T92 PolarHBondContact O-OG1 3.49Å; N86-T92 HydrophobicContact CB-CG2 3.91Å; T90-T92 PolarHBondContact O-N 3.24Å; T92-N94 VanDerWaalsContact C-N 3.33Å; T92-N94 HydrophobicContact CG2-CB 4.07Å; T92-N94 PolarHBondContact OG1-N 3.19Å | ||
| 93 | Q | 97.2 | Very high | 98 | Very high | 127 Ų | 127 | 60.9 Ų | 60.9 | 59% | 0.593 | 33% | 0.332 | S | S | * | . | trans | -80.3 | -17.4 | 166.2 | -70.9 | -176.4 | 86.6 | 0 | 0 | 112.5 | W83 L95 | W83-Q93 VanDerWaalsContact CE3-NE2 3.34Å; Q93-L95 VanDerWaalsContact C-N 3.35Å; Q93-L95 HydrophobicContact CB-CD2 4.02Å; Q93-L95 HydrophobicContact CB-CG 4.01Å; Q93-L95 PolarHBondContact O-N 3.37Å | ||
| 94 | N | 98.3 | Very high | 97.9 | Very high | 29 Ų | 29 | 56.1 Ų | 56.1 | 16% | 0.155 | 32% | 0.317 | C | S | . | . | trans | 45.5 | 56 | -176.1 | -168.6 | 8.7 | 0 | 0 | 0 | 112.4 | W83 W84 C85 N86 T92 C96 N97 I98 | W83-N94 PolarHBondContact O-N 3.4Å; W84-N94 CarbonylContact O-C 3.58Å; W84-N94 PolarHBondContact O-OD1 3.11Å; C85-N94 WeakPolarHBondContact CA-OD1 3.41Å; N86-N94 HydrophobicContact CB-CB 4.2Å; T92-N94 VanDerWaalsContact C-N 3.33Å; T92-N94 HydrophobicContact CG2-CB 4.07Å; T92-N94 PolarHBondContact OG1-N 3.19Å; N94-C96 PolarHBondContact O-N 2.68Å; N94-N97 WeakPolarHBondContact O-CA 3.16Å; N94-N97 PolarHBondContact O-N 3.11Å; N94-N97 WeakPolarHBondContact OD1-CA 3.45Å; N94-N97 PolarHBondContact OD1-N 3.07Å; N94-N97 VanDerWaalsContact OD1-N 3.14Å; N94-I98 PolarHBondContact ND2-N 3.16Å; N94-I98 PolarHBondContact ND2-O 2.86Å; N94-I98 PolarHBondContact OD1-N 3.28Å; N94-I98 PolarHBondContact OD1-O 2.03Å; N94-I98 VanDerWaalsContact OD1-O 3.13Å | ||
| 95 | L | 98.6 | Very high | 97.8 | Very high | 74 Ų | 74 | 54.8 Ų | 54.8 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -18.8 | -172.4 | -67.5 | 173.9 | 0 | 0 | 0 | 113.6 | W83 W84 Q93 R117 | W83-L95 WeakPolarHBondContact O-CB 3.27Å; W83-L95 WeakPolarHBondContact O-CG 3.45Å; W83-L95 PolarHBondContact O-N 3.11Å; W84-L95 HydrophobicContact CE3-CB 3.73Å; W84-L95 HydrophobicContact CE3-CD1 4.04Å; W84-L95 HydrophobicContact CH2-CD1 4.06Å; W84-L95 HydrophobicContact CZ3-CB 3.86Å; W84-L95 HydrophobicContact CZ3-CD1 3.69Å; W84-L95 HydrophobicContact CZ3-CG 4.45Å; W84-L95 PolarHBondContact O-N 3.29Å; Q93-L95 VanDerWaalsContact C-N 3.35Å; Q93-L95 HydrophobicContact CB-CD2 4.02Å; Q93-L95 HydrophobicContact CB-CG 4.01Å; Q93-L95 PolarHBondContact O-N 3.37Å; L95-R117 PolarHBondContact O-NH1 2.86Å |
| 96 | C | 98.6 | Very high | 97.6 | Very high | 8 Ų | 8 | 58.9 Ų | 58.9 | 5% | 0.054 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -13.5 | 172.7 | -61.7 | 0 | 0 | 0 | 0 | 113.5 | W84 N94 I98 C114 R117 | W84-C96 WeakPolarHBondContact O-CB 3.25Å; W84-C96 PolarHBondContact O-N 3.48Å; N94-C96 PolarHBondContact O-N 2.68Å; C96-I98 HydrophobicContact CB-CD1 3.91Å; C96-I98 HydrophobicContact CB-CG1 3.9Å; C96-C114 HydrophobicContact CB-CB 3.69Å; C96-C114 WeakPolarHBondContact CB-SG 3.01Å; C96-C114 WeakPolarHBondContact SG-CA 3.45Å; C96-C114 WeakPolarHBondContact SG-CB 2.95Å; C96-C114 CovalentContact SG-SG 2.02Å; C96-C114 PolarHBondContact SG-SG 2.84Å; C96-R117 PolarHBondContact O-NH1 3.28Å |
| 97 | N | 98.4 | Very high | 97.5 | Very high | 134 Ų | 134 | 61 Ų | 61 | 72% | 0.717 | 34% | 0.336 | S | S | * | . | trans | 57.8 | 51.2 | -177 | -170.5 | 62.8 | 0 | 0 | 0 | 112.4 | N94 | N94-N97 WeakPolarHBondContact O-CA 3.16Å; N94-N97 PolarHBondContact O-N 3.11Å; N94-N97 WeakPolarHBondContact OD1-CA 3.45Å; N94-N97 PolarHBondContact OD1-N 3.07Å; N94-N97 VanDerWaalsContact OD1-N 3.14Å | ||
| 98 | I | 98.2 | Very high | 97.4 | Very high | 32 Ų | 32 | 60.3 Ų | 60.3 | 16% | 0.164 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -136.9 | 158.5 | -177.7 | 62.3 | 178.6 | 0 | 0 | 0 | 111.3 | C85 N86 N94 C96 L103 C114 | C85-I98 HydrophobicContact CB-CD1 4.19Å; C85-I98 HydrophobicContact CB-CG1 3.77Å; N86-I98 PolarHBondContact N-O 3.01Å; N94-I98 PolarHBondContact ND2-N 3.16Å; N94-I98 PolarHBondContact ND2-O 2.86Å; N94-I98 PolarHBondContact OD1-N 3.28Å; N94-I98 PolarHBondContact OD1-O 2.03Å; N94-I98 VanDerWaalsContact OD1-O 3.13Å; C96-I98 HydrophobicContact CB-CD1 3.91Å; C96-I98 HydrophobicContact CB-CG1 3.9Å; I98-L103 HydrophobicContact CD1-CD1 4.08Å; I98-L103 HydrophobicContact CD1-CD2 3.58Å; I98-L103 HydrophobicContact CD1-CG 3.89Å; I98-C114 HydrophobicContact CD1-CB 4.24Å |
| 99 | D | 98.1 | Very high | 97.5 | Very high | 72 Ų | 72 | 62.1 Ų | 62.1 | 39% | 0.385 | 32% | 0.324 | S | S | . | . | B | Isolated β-bridge | trans | -79.1 | 137.6 | 166.3 | -167.8 | -61.9 | 0 | 0 | 0 | 108.9 | N86 N101 D102 | N86-D99 CarbonylContact O-C 3.59Å; N86-D99 WeakPolarHBondContact O-CA 3.44Å; D99-N101 PolarHBondContact O-N 3.33Å; D99-N101 VanDerWaalsContact OD1-CB 3.27Å; D99-N101 WeakPolarHBondContact OD1-CB 3.03Å; D99-N101 PolarHBondContact OD1-N 2.92Å; D99-N101 PolarHBondContact OD1-ND2 2.81Å; D99-D102 WeakPolarHBondContact O-CB 3.41Å; D99-D102 PolarHBondContact O-N 2.02Å; D99-D102 VanDerWaalsContact O-N 3.07Å |
| 100 | C | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -62 | -25.7 | 178.8 | -64.9 | 0 | 0 | 0 | 0 | 112.7 | Y74 C85 N86 N87 D102 L103 | Y74-C100 HydrophobicContact CD1-CB 3.73Å; Y74-C100 HydrophobicContact CD2-CB 3.7Å; Y74-C100 HydrophobicContact CE1-CB 3.78Å; Y74-C100 HydrophobicContact CE2-CB 3.75Å; Y74-C100 HydrophobicContact CG-CB 3.7Å; C85-C100 HydrophobicContact CB-CB 3.92Å; C85-C100 WeakPolarHBondContact CB-SG 3.28Å; C85-C100 VanDerWaalsContact SG-CA 3.53Å; C85-C100 WeakPolarHBondContact SG-CB 3.35Å; C85-C100 CovalentContact SG-SG 2.04Å; C85-C100 PolarHBondContact SG-SG 3.2Å; N86-C100 PolarHBondContact N-SG 3.4Å; N86-C100 VanDerWaalsContact N-SG 3.4Å; N86-C100 PolarHBondContact O-N 3.5Å; N87-C100 HydrophobicContact CB-CB 4.03Å; C100-D102 VanDerWaalsContact C-N 3.28Å; C100-D102 PolarHBondContact O-N 3.26Å; C100-L103 WeakPolarHBondContact O-CB 3.34Å; C100-L103 PolarHBondContact O-N 3.13Å |
| 101 | N | 96.6 | Very high | 97.6 | Very high | 99 Ų | 99 | 56.8 Ų | 56.8 | 53% | 0.529 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -70.3 | -24.4 | 176 | -63.2 | -62.5 | 0 | 0 | 0 | 113 | D99 L103 L104 | D99-N101 PolarHBondContact O-N 3.33Å; D99-N101 VanDerWaalsContact OD1-CB 3.27Å; D99-N101 WeakPolarHBondContact OD1-CB 3.03Å; D99-N101 PolarHBondContact OD1-N 2.92Å; D99-N101 PolarHBondContact OD1-ND2 2.81Å; N101-L103 PolarHBondContact O-N 3.13Å; N101-L104 PolarHBondContact O-N 3.04Å; N101-L104 VanDerWaalsContact O-N 3.17Å |
| 102 | D | 96.9 | Very high | 97.6 | Very high | 56 Ų | 56 | 51.2 Ų | 51.2 | 30% | 0.299 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -64.8 | -22.9 | 175.1 | -73.4 | -37.7 | 0 | 0 | 0 | 110.7 | K18 D99 C100 L104 N105 | K18-D102 IonicContact NZ-OD1 2.79Å; D99-D102 WeakPolarHBondContact O-CB 3.41Å; D99-D102 PolarHBondContact O-N 2.02Å; D99-D102 VanDerWaalsContact O-N 3.07Å; C100-D102 VanDerWaalsContact C-N 3.28Å; C100-D102 PolarHBondContact O-N 3.26Å; D102-L104 VanDerWaalsContact C-N 3.28Å; D102-L104 PolarHBondContact O-N 2.99Å; D102-N105 PolarHBondContact O-ND2 2.93Å |
| 103 | L | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -78.3 | -5.9 | 177 | -59.2 | 171.6 | 0 | 0 | 0 | 114.4 | G75 L79 C85 I98 C100 N101 D111 | G75-L103 WeakPolarHBondContact CA-O 3.4Å; L79-L103 HydrophobicContact CB-CD1 3.77Å; L79-L103 HydrophobicContact CD1-CD1 3.72Å; L79-L103 HydrophobicContact CD1-CD2 3.65Å; L79-L103 HydrophobicContact CD1-CG 4.32Å; L79-L103 HydrophobicContact CG-CD1 4.36Å; C85-L103 HydrophobicContact CB-CD1 3.99Å; I98-L103 HydrophobicContact CD1-CD1 4.08Å; I98-L103 HydrophobicContact CD1-CD2 3.58Å; I98-L103 HydrophobicContact CD1-CG 3.89Å; C100-L103 WeakPolarHBondContact O-CB 3.34Å; C100-L103 PolarHBondContact O-N 3.13Å; N101-L103 PolarHBondContact O-N 3.13Å; L103-D111 HydrophobicContact CD2-CB 4.12Å |
| 104 | L | 97.8 | Very high | 97.7 | Very high | 38 Ų | 38 | 47.3 Ų | 47.3 | 20% | 0.199 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -95.4 | 4.4 | -171.4 | -60.3 | -177.8 | 0 | 0 | 0 | 114.4 | T61 V64 Y74 N101 D102 | T61-L104 VanDerWaalsContact O-CA 3.3Å; T61-L104 WeakPolarHBondContact O-CA 3.38Å; V64-L104 HydrophobicContact CG2-CD1 3.91Å; V64-L104 HydrophobicContact CG2-CD2 3.58Å; V64-L104 HydrophobicContact CG2-CG 4.41Å; Y74-L104 HydrophobicContact CD1-CD1 4.1Å; Y74-L104 HydrophobicContact CD1-CD2 4.06Å; Y74-L104 HydrophobicContact CD1-CG 4.24Å; N101-L104 PolarHBondContact O-N 3.04Å; N101-L104 VanDerWaalsContact O-N 3.17Å; D102-L104 VanDerWaalsContact C-N 3.28Å; D102-L104 PolarHBondContact O-N 2.99Å |
| 105 | N | 95.2 | Very high | 97.7 | Very high | 10 Ų | 10 | 45.9 Ų | 45.9 | 5% | 0.053 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -105.1 | 166.5 | -173.4 | 85.3 | 79.4 | 0 | 0 | 0 | 112.3 | K18 D20 T61 D102 H107 | K18-N105 WeakPolarHBondContact O-CB 3.47Å; D20-N105 CarbonylContact O-C 3.59Å; T61-N105 WeakPolarHBondContact CB-O 3.47Å; T61-N105 PolarHBondContact OG1-O 3.18Å; D102-N105 PolarHBondContact O-ND2 2.93Å; N105-H107 PolarHBondContact O-N 3.15Å; N105-H107 WeakPolarHBondContact OD1-CA 3.28Å; N105-H107 WeakPolarHBondContact OD1-CB 3.4Å; N105-H107 PolarHBondContact OD1-CD2 3.12Å; N105-H107 VanDerWaalsContact OD1-CD2 3.3Å; N105-H107 PolarHBondContact OD1-N 3.42Å; N105-H107 PolarHBondContact OD1-O 3.18Å |
| 106 | R | 95.8 | Very high | 97.8 | Very high | 85 Ų | 85 | 44.4 Ų | 44.4 | 32% | 0.321 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -63.3 | -22.6 | -178 | 73.3 | -164 | -38.4 | -85.2 | -4.3 | 113.8 | D20 K22 Y24 I108 | D20-R106 VanDerWaalsContact O-CB 3.28Å; D20-R106 WeakPolarHBondContact O-CB 3.36Å; D20-R106 PolarHBondContact O-N 3.29Å; D20-R106 VanDerWaalsContact OD2-CD 3.23Å; D20-R106 WeakPolarHBondContact OD2-CD 3.24Å; D20-R106 IonicContact OD2-CZ 3.83Å; D20-R106 IonicContact OD2-NE 2.71Å; D20-R106 PolarHBondContact OD2-NE 2.99Å; K22-R106 HydrophobicContact CB-CB 3.74Å; Y24-R106 PolarHBondContact OH-O 3.44Å; R106-I108 PolarHBondContact O-N 3.46Å |
| 107 | H | 95.1 | Very high | 97.7 | Very high | 107 Ų | 107 | 49.6 Ų | 49.6 | 50% | 0.495 | 24% | 0.242 | S | C | . | . | trans | -85.2 | 110.5 | 178 | -57 | -85.9 | 0 | 0 | 0 | 108.7 | N105 | N105-H107 PolarHBondContact O-N 3.15Å; N105-H107 WeakPolarHBondContact OD1-CA 3.28Å; N105-H107 WeakPolarHBondContact OD1-CB 3.4Å; N105-H107 PolarHBondContact OD1-CD2 3.12Å; N105-H107 VanDerWaalsContact OD1-CD2 3.3Å; N105-H107 PolarHBondContact OD1-N 3.42Å; N105-H107 PolarHBondContact OD1-O 3.18Å | ||
| 108 | I | 97.5 | Very high | 97.8 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | trans | -101.5 | 19.8 | -172.5 | 59.7 | 169.1 | 0 | 0 | 0 | 113.5 | Y24 L29 K32 T61 I76 R106 D111 I112 | Y24-I108 HydrophobicContact CE2-CD1 4.09Å; Y24-I108 HydrophobicContact CE2-CG1 4.41Å; Y24-I108 HydrophobicContact CE2-CG2 3.7Å; L29-I108 HydrophobicContact CD1-CD1 3.43Å; L29-I108 VanDerWaalsContact CD1-CD1 3.43Å; K32-I108 HydrophobicContact CB-CD1 4.45Å; K32-I108 HydrophobicContact CD-CD1 4.25Å; K32-I108 HydrophobicContact CD-CG1 4.48Å; T61-I108 HydrophobicContact CG2-CG2 3.5Å; T61-I108 VanDerWaalsContact CG2-CG2 3.5Å; I76-I108 HydrophobicContact CG2-CG2 4.26Å; R106-I108 PolarHBondContact O-N 3.46Å; I108-D111 WeakPolarHBondContact CA-OD2 3.35Å; I108-D111 HydrophobicContact CB-CB 4.2Å; I108-D111 WeakPolarHBondContact O-CB 3.03Å; I108-I112 HydrophobicContact CD1-CD1 3.98Å; I108-I112 HydrophobicContact CG1-CD1 3.96Å; I108-I112 WeakPolarHBondContact O-CB 3.44Å; I108-I112 WeakPolarHBondContact O-CD1 3.39Å; I108-I112 WeakPolarHBondContact O-CG1 3.39Å; I108-I112 PolarHBondContact O-N 2.88Å | ||
| 109 | L | 97.9 | Very high | 97.8 | Very high | 107 Ų | 107 | 41.9 Ų | 41.9 | 56% | 0.56 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -74.7 | -42.4 | -173.5 | 179.8 | 60.7 | 0 | 0 | 0 | 111.3 | I112 I113 | L109-I112 PolarHBondContact O-N 3.33Å; L109-I113 HydrophobicContact CD1-CD1 4.4Å; L109-I113 HydrophobicContact CG-CD1 4.1Å; L109-I113 WeakPolarHBondContact O-CB 3.44Å; L109-I113 WeakPolarHBondContact O-CD1 3.4Å; L109-I113 WeakPolarHBondContact O-CG1 3.3Å; L109-I113 PolarHBondContact O-N 3.22Å |
| 110 | D | 97.8 | Very high | 97.8 | Very high | 45 Ų | 45 | 41.1 Ų | 41.1 | 24% | 0.241 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.5 | -45.7 | 167.1 | 38.8 | -11 | 0 | 0 | 0 | 112 | I112 I113 C114 | D110-I112 PolarHBondContact O-N 3.26Å; D110-I113 PolarHBondContact O-N 3.07Å; D110-C114 WeakPolarHBondContact O-CB 3.41Å; D110-C114 PolarHBondContact O-N 3.26Å |
| 111 | D | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.1 | -51.2 | 172.3 | -57.5 | -129.7 | 0 | 0 | 0 | 111.2 | I76 F77 L103 I108 I113 C114 A115 | I76-D111 HydrophobicContact CG2-CB 4.24Å; F77-D111 HydrophobicContact CD2-CB 4.09Å; F77-D111 HydrophobicContact CE2-CB 4.41Å; L103-D111 HydrophobicContact CD2-CB 4.12Å; I108-D111 WeakPolarHBondContact CA-OD2 3.35Å; I108-D111 HydrophobicContact CB-CB 4.2Å; I108-D111 WeakPolarHBondContact O-CB 3.03Å; D111-I113 PolarHBondContact O-N 3.24Å; D111-C114 PolarHBondContact O-N 2.66Å; D111-A115 VanDerWaalsContact O-CB 3.32Å; D111-A115 WeakPolarHBondContact O-CB 3.46Å; D111-A115 PolarHBondContact O-N 3.45Å |
| 112 | I | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.8 | -42.6 | -179.8 | -72 | 163.3 | 0 | 0 | 0 | 111.1 | L33 A36 L38 F77 I108 L109 D110 C114 A115 K116 | L33-I112 HydrophobicContact CD2-CD1 3.83Å; L33-I112 HydrophobicContact CD2-CG1 3.88Å; A36-I112 HydrophobicContact CB-CD1 3.83Å; A36-I112 HydrophobicContact CB-CG2 3.88Å; L38-I112 HydrophobicContact CD1-CG1 4.17Å; L38-I112 HydrophobicContact CD1-CG2 3.73Å; L38-I112 HydrophobicContact CD2-CG2 4.16Å; L38-I112 HydrophobicContact CG-CG2 3.91Å; F77-I112 HydrophobicContact CE2-CG1 3.97Å; F77-I112 HydrophobicContact CZ-CG1 4.48Å; I108-I112 HydrophobicContact CD1-CD1 3.98Å; I108-I112 HydrophobicContact CG1-CD1 3.96Å; I108-I112 WeakPolarHBondContact O-CB 3.44Å; I108-I112 WeakPolarHBondContact O-CD1 3.39Å; I108-I112 WeakPolarHBondContact O-CG1 3.39Å; I108-I112 PolarHBondContact O-N 2.88Å; L109-I112 PolarHBondContact O-N 3.33Å; D110-I112 PolarHBondContact O-N 3.26Å; I112-C114 VanDerWaalsContact C-N 3.3Å; I112-C114 PolarHBondContact O-N 3.36Å; I112-A115 PolarHBondContact O-N 3.39Å; I112-K116 WeakPolarHBondContact O-CG 3.45Å; I112-K116 PolarHBondContact O-N 3.17Å |
| 113 | I | 98.6 | Very high | 97.7 | Very high | 86 Ų | 86 | 51.2 Ų | 51.2 | 44% | 0.441 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.3 | -41.9 | 177.4 | -72.6 | 164.2 | 0 | 0 | 0 | 110.3 | L109 D110 D111 K116 R117 | L109-I113 HydrophobicContact CD1-CD1 4.4Å; L109-I113 HydrophobicContact CG-CD1 4.1Å; L109-I113 WeakPolarHBondContact O-CB 3.44Å; L109-I113 WeakPolarHBondContact O-CD1 3.4Å; L109-I113 WeakPolarHBondContact O-CG1 3.3Å; L109-I113 PolarHBondContact O-N 3.22Å; D110-I113 PolarHBondContact O-N 3.07Å; D111-I113 PolarHBondContact O-N 3.24Å; I113-K116 PolarHBondContact O-N 3.24Å; I113-R117 PolarHBondContact O-N 2.95Å |
| 114 | C | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.4 | -43.9 | 177.9 | -172.2 | 0 | 0 | 0 | 0 | 111.9 | L79 C96 I98 D110 D111 I112 K116 R117 V118 | L79-C114 HydrophobicContact CD1-CB 3.69Å; C96-C114 HydrophobicContact CB-CB 3.69Å; C96-C114 WeakPolarHBondContact CB-SG 3.01Å; C96-C114 WeakPolarHBondContact SG-CA 3.45Å; C96-C114 WeakPolarHBondContact SG-CB 2.95Å; C96-C114 CovalentContact SG-SG 2.02Å; C96-C114 PolarHBondContact SG-SG 2.84Å; I98-C114 HydrophobicContact CD1-CB 4.24Å; D110-C114 WeakPolarHBondContact O-CB 3.41Å; D110-C114 PolarHBondContact O-N 3.26Å; D111-C114 PolarHBondContact O-N 2.66Å; I112-C114 VanDerWaalsContact C-N 3.3Å; I112-C114 PolarHBondContact O-N 3.36Å; C114-K116 VanDerWaalsContact C-N 3.28Å; C114-K116 PolarHBondContact O-N 2.91Å; C114-R117 WeakPolarHBondContact O-CA 3.49Å; C114-R117 VanDerWaalsContact O-CB 3.29Å; C114-R117 WeakPolarHBondContact O-CB 3.16Å; C114-R117 PolarHBondContact O-N 2.94Å; C114-V118 WeakPolarHBondContact O-CG2 3.45Å; C114-V118 PolarHBondContact O-N 3.41Å |
| 115 | A | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.5 | -36.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W49 F77 D111 I112 R117 V118 A119 W128 | W49-A115 HydrophobicContact CH2-CB 4.45Å; W49-A115 HydrophobicContact CZ3-CB 3.85Å; F77-A115 HydrophobicContact CB-CB 4.34Å; F77-A115 HydrophobicContact CD2-CB 3.67Å; F77-A115 HydrophobicContact CE2-CB 4.04Å; F77-A115 HydrophobicContact CG-CB 3.94Å; D111-A115 VanDerWaalsContact O-CB 3.32Å; D111-A115 WeakPolarHBondContact O-CB 3.46Å; D111-A115 PolarHBondContact O-N 3.45Å; I112-A115 PolarHBondContact O-N 3.39Å; A115-R117 VanDerWaalsContact C-N 3.3Å; A115-R117 PolarHBondContact O-N 3.31Å; A115-V118 WeakPolarHBondContact O-CB 3.41Å; A115-V118 PolarHBondContact O-N 3.43Å; A115-A119 PolarHBondContact O-N 3.17Å; A115-W128 HydrophobicContact CB-CH2 4.4Å; A115-W128 HydrophobicContact CB-CZ2 4.28Å |
| 116 | K | 98.7 | Very high | 97.8 | Very high | 42 Ų | 42 | 57.8 Ų | 57.8 | 18% | 0.183 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.7 | -36 | 170.3 | -78.2 | -177.1 | 174.4 | 179.7 | 0 | 113 | A36 G37 L38 F41 I112 I113 C114 S120 | A36-K116 PolarHBondContact O-NZ 2.89Å; G37-K116 PolarHBondContact O-NZ 2.92Å; G37-K116 VanDerWaalsContact O-NZ 3.1Å; L38-K116 HydrophobicContact CD2-CD 4.02Å; L38-K116 HydrophobicContact CD2-CG 3.51Å; F41-K116 HydrophobicContact CD1-CB 4.47Å; F41-K116 HydrophobicContact CD1-CG 3.95Å; F41-K116 HydrophobicContact CD2-CD 4.12Å; F41-K116 HydrophobicContact CD2-CG 4.34Å; F41-K116 HydrophobicContact CE1-CB 3.71Å; F41-K116 HydrophobicContact CE1-CD 4.42Å; F41-K116 HydrophobicContact CE1-CG 3.69Å; F41-K116 WeakPolarHBondContact CE1-O 3.34Å; F41-K116 HydrophobicContact CE2-CB 4.32Å; F41-K116 HydrophobicContact CE2-CD 3.95Å; F41-K116 HydrophobicContact CE2-CG 4.11Å; F41-K116 HydrophobicContact CG-CD 4.43Å; F41-K116 HydrophobicContact CG-CG 4.26Å; F41-K116 HydrophobicContact CZ-CB 3.63Å; F41-K116 HydrophobicContact CZ-CD 4.1Å; F41-K116 HydrophobicContact CZ-CG 3.77Å; I112-K116 WeakPolarHBondContact O-CG 3.45Å; I112-K116 PolarHBondContact O-N 3.17Å; I113-K116 PolarHBondContact O-N 3.24Å; C114-K116 VanDerWaalsContact C-N 3.28Å; C114-K116 PolarHBondContact O-N 2.91Å; K116-S120 VanDerWaalsContact O-CB 3.31Å; K116-S120 WeakPolarHBondContact O-CB 3.49Å; K116-S120 PolarHBondContact O-N 3.23Å; K116-S120 PolarHBondContact O-OG 3.02Å |
| 117 | R | 98.6 | Very high | 97.9 | Very high | 118 Ų | 118 | 55.4 Ų | 55.4 | 45% | 0.445 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68 | -42.4 | 174.1 | -65.7 | -174.9 | -176.4 | -173.6 | 7 | 110.8 | W84 L95 C96 I113 C114 A115 S120 S121 | W84-R117 HydrophobicContact CZ3-CB 4.34Å; L95-R117 PolarHBondContact O-NH1 2.86Å; C96-R117 PolarHBondContact O-NH1 3.28Å; I113-R117 PolarHBondContact O-N 2.95Å; C114-R117 WeakPolarHBondContact O-CA 3.49Å; C114-R117 VanDerWaalsContact O-CB 3.29Å; C114-R117 WeakPolarHBondContact O-CB 3.16Å; C114-R117 PolarHBondContact O-N 2.94Å; A115-R117 VanDerWaalsContact C-N 3.3Å; A115-R117 PolarHBondContact O-N 3.31Å; R117-S120 CarbonylContact O-C 3.53Å; R117-S120 PolarHBondContact O-N 3.32Å; R117-S120 VanDerWaalsContact O-N 3.1Å; R117-S121 PolarHBondContact O-N 3.28Å; R117-S121 VanDerWaalsContact O-N 3.07Å |
| 118 | V | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.3 | -50.8 | 174.7 | -177 | 0 | 0 | 0 | 0 | 110.9 | L79 W84 C114 A115 S120 S121 A127 W128 | L79-V118 HydrophobicContact CD2-CG2 3.72Å; W84-V118 HydrophobicContact CD2-CG2 3.47Å; W84-V118 VanDerWaalsContact CD2-CG2 3.47Å; W84-V118 HydrophobicContact CE3-CG2 3.74Å; W84-V118 HydrophobicContact CG-CG2 4.03Å; W84-V118 HydrophobicContact CH2-CB 4.19Å; W84-V118 HydrophobicContact CH2-CG1 4.45Å; W84-V118 HydrophobicContact CH2-CG2 3.93Å; W84-V118 HydrophobicContact CZ2-CB 3.96Å; W84-V118 HydrophobicContact CZ2-CG1 3.83Å; W84-V118 HydrophobicContact CZ2-CG2 3.64Å; W84-V118 HydrophobicContact CZ3-CG2 3.97Å; C114-V118 WeakPolarHBondContact O-CG2 3.45Å; C114-V118 PolarHBondContact O-N 3.41Å; A115-V118 WeakPolarHBondContact O-CB 3.41Å; A115-V118 PolarHBondContact O-N 3.43Å; V118-S120 PolarHBondContact O-N 3.41Å; V118-S121 WeakPolarHBondContact O-CB 3.44Å; V118-S121 PolarHBondContact O-N 2.88Å; V118-S121 PolarHBondContact O-OG 2.5Å; V118-A127 HydrophobicContact CG1-CB 3.44Å; V118-A127 VanDerWaalsContact CG1-CB 3.44Å; V118-W128 HydrophobicContact CB-CH2 3.49Å; V118-W128 VanDerWaalsContact CB-CH2 3.49Å; V118-W128 HydrophobicContact CB-CZ2 3.76Å; V118-W128 HydrophobicContact CB-CZ3 4.26Å; V118-W128 HydrophobicContact CG1-CD2 4.5Å; V118-W128 HydrophobicContact CG1-CE3 4.31Å; V118-W128 HydrophobicContact CG1-CH2 3.4Å; V118-W128 HydrophobicContact CG1-CZ2 3.6Å; V118-W128 HydrophobicContact CG1-CZ3 3.77Å; V118-W128 HydrophobicContact CG2-CH2 4.4Å; V118-W128 HydrophobicContact CG2-CZ2 4.21Å |
| 119 | A | 98.3 | Very high | 98 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.7 | -15.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | F41 W49 A115 W128 | F41-A119 HydrophobicContact CE1-CB 4.33Å; W49-A119 HydrophobicContact CH2-CB 3.5Å; W49-A119 HydrophobicContact CZ2-CB 3.96Å; A115-A119 PolarHBondContact O-N 3.17Å; A119-W128 HydrophobicContact CB-CZ3 4.4Å |
| 120 | S | 98.3 | Very high | 97.9 | Very high | 56 Ų | 56 | 51.5 Ų | 51.5 | 39% | 0.392 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -90.4 | -8.2 | 171.7 | -60.4 | 0 | 0 | 0 | 0 | 113.4 | F41 K42 K116 R117 V118 | F41-S120 WeakPolarHBondContact CZ-OG 3.47Å; K42-S120 VanDerWaalsContact CE-OG 3.28Å; K42-S120 WeakPolarHBondContact CE-OG 3.21Å; K116-S120 VanDerWaalsContact O-CB 3.31Å; K116-S120 WeakPolarHBondContact O-CB 3.49Å; K116-S120 PolarHBondContact O-N 3.23Å; K116-S120 PolarHBondContact O-OG 3.02Å; R117-S120 CarbonylContact O-C 3.53Å; R117-S120 PolarHBondContact O-N 3.32Å; R117-S120 VanDerWaalsContact O-N 3.1Å; V118-S120 PolarHBondContact O-N 3.41Å |
| 121 | S | 97.5 | Very high | 98 | Very high | 34 Ų | 34 | 50.4 Ų | 50.4 | 24% | 0.238 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -71.2 | 169.8 | 174.7 | 81.5 | 0 | 0 | 0 | 0 | 111.4 | R117 V118 K123 S124 | R117-S121 PolarHBondContact O-N 3.28Å; R117-S121 VanDerWaalsContact O-N 3.07Å; V118-S121 WeakPolarHBondContact O-CB 3.44Å; V118-S121 PolarHBondContact O-N 2.88Å; V118-S121 PolarHBondContact O-OG 2.5Å; S121-K123 PolarHBondContact O-N 3.5Å; S121-K123 PolarHBondContact OG-N 3.26Å; S121-S124 PolarHBondContact O-N 3.26Å |
| 122 | H | 96.7 | Very high | 97.9 | Very high | 195 Ų | 195 | 54.2 Ų | 54.2 | 90% | 0.903 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -27.6 | 178.9 | -170.8 | 70.3 | 0 | 0 | 0 | 113.7 | S124 | H122-S124 VanDerWaalsContact C-N 3.32Š|
| 123 | K | 96.8 | Very high | 97.9 | Very high | 139 Ų | 139 | 60.1 Ų | 60.1 | 60% | 0.604 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -17.3 | 176.8 | -66.6 | -169.2 | 178.2 | -175.4 | 0 | 112.6 | S121 M125 K126 A127 | S121-K123 PolarHBondContact O-N 3.5Å; S121-K123 PolarHBondContact OG-N 3.26Å; K123-M125 PolarHBondContact O-N 2.76Å; K123-K126 WeakPolarHBondContact O-CA 3.48Å; K123-K126 VanDerWaalsContact O-CB 3.27Å; K123-K126 WeakPolarHBondContact O-CB 3.46Å; K123-K126 PolarHBondContact O-N 2.93Å; K123-A127 HydrophobicContact CB-CB 4.01Å; K123-A127 HydrophobicContact CD-CB 4.46Å |
| 124 | S | 97.3 | Very high | 97.8 | Very high | 41 Ų | 41 | 59.7 Ų | 59.7 | 29% | 0.287 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | 47 | -137.6 | -171.5 | -51.3 | 0 | 0 | 0 | 0 | 111 | Y44 S121 H122 K126 A127 | Y44-S124 VanDerWaalsContact OH-CB 3.29Å; Y44-S124 WeakPolarHBondContact OH-CB 3.4Å; S121-S124 PolarHBondContact O-N 3.26Å; H122-S124 VanDerWaalsContact C-N 3.32Å; S124-K126 PolarHBondContact O-N 3.3Å; S124-A127 WeakPolarHBondContact O-CB 3.42Å; S124-A127 PolarHBondContact O-N 3.33Å |
| 125 | M | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -67.5 | -12.5 | 175.7 | -77.4 | -171.3 | 160.3 | 0 | 0 | 115.1 | Y44 D48 W49 K123 A127 W128 W131 | Y44-M125 HydrophobicContact CD1-CE 4.14Å; Y44-M125 HydrophobicContact CD1-CG 4.11Å; Y44-M125 HydrophobicContact CD1-SD 3.29Å; Y44-M125 WeakPolarHBondContact CD1-SD 3.31Å; Y44-M125 HydrophobicContact CD2-CE 4.12Å; Y44-M125 HydrophobicContact CD2-CG 4Å; Y44-M125 HydrophobicContact CD2-SD 3.95Å; Y44-M125 HydrophobicContact CE1-CB 4.03Å; Y44-M125 HydrophobicContact CE1-CG 3.81Å; Y44-M125 HydrophobicContact CE1-SD 3.49Å; Y44-M125 WeakPolarHBondContact CE1-SD 3.32Å; Y44-M125 HydrophobicContact CE2-CB 4.34Å; Y44-M125 HydrophobicContact CE2-CG 3.7Å; Y44-M125 HydrophobicContact CE2-SD 4.14Å; Y44-M125 HydrophobicContact CG-CE 3.78Å; Y44-M125 HydrophobicContact CG-CG 4.19Å; Y44-M125 HydrophobicContact CG-SD 3.53Å; Y44-M125 VanDerWaalsContact CG-SD 3.53Å; Y44-M125 PolarHBondContact OH-N 2.88Å; D48-M125 HydrophobicContact CB-CE 3.96Å; D48-M125 HydrophobicContact CB-SD 4.02Å; W49-M125 HydrophobicContact CD2-CE 3.36Å; W49-M125 HydrophobicContact CE3-CE 3.6Å; W49-M125 HydrophobicContact CG-CE 3.9Å; W49-M125 HydrophobicContact CH2-CE 3.95Å; W49-M125 HydrophobicContact CZ2-CE 3.68Å; W49-M125 HydrophobicContact CZ3-CE 3.88Å; K123-M125 PolarHBondContact O-N 2.76Å; M125-A127 PolarHBondContact O-N 3.24Å; M125-A127 VanDerWaalsContact O-N 3.11Å; M125-W128 HydrophobicContact CB-CE3 4.21Å; M125-W128 HydrophobicContact CB-CZ3 4.34Å; M125-W128 HydrophobicContact CG-CE3 4.21Å; M125-W128 HydrophobicContact CG-CZ3 3.95Å; M125-W128 PolarHBondContact O-N 2.88Å; M125-W128 VanDerWaalsContact O-N 3.16Å; M125-W131 VanDerWaalsContact C-CD1 3.46Å; M125-W131 HydrophobicContact CB-CB 4.42Å; M125-W131 HydrophobicContact CB-CD2 3.57Å; M125-W131 HydrophobicContact CB-CE3 4.17Å; M125-W131 HydrophobicContact CB-CG 3.66Å; M125-W131 HydrophobicContact CB-CZ2 4.31Å; M125-W131 HydrophobicContact CG-CD2 4.36Å; M125-W131 HydrophobicContact CG-CE3 4.49Å; M125-W131 VanDerWaalsContact O-CB 3.25Å; M125-W131 WeakPolarHBondContact O-CB 3.21Å; M125-W131 HydrophobicContact SD-CD2 3.91Å; M125-W131 HydrophobicContact SD-CE3 3.52Å; M125-W131 VanDerWaalsContact SD-CE3 3.52Å; M125-W131 HydrophobicContact SD-CH2 3.8Å; M125-W131 HydrophobicContact SD-CZ2 4.14Å; M125-W131 HydrophobicContact SD-CZ3 3.49Å; M125-W131 WeakPolarHBondContact SD-CZ3 3.36Å |
| 126 | K | 98.1 | Very high | 97.8 | Very high | 145 Ų | 145 | 61.6 Ų | 61.6 | 63% | 0.63 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -72.9 | 2.5 | 172.7 | -53.7 | 177.1 | 178 | 178.3 | 0 | 113 | K123 S124 | K123-K126 WeakPolarHBondContact O-CA 3.48Å; K123-K126 VanDerWaalsContact O-CB 3.27Å; K123-K126 WeakPolarHBondContact O-CB 3.46Å; K123-K126 PolarHBondContact O-N 2.93Å; S124-K126 PolarHBondContact O-N 3.3Å |
| 127 | A | 97.7 | Very high | 97.6 | Very high | 34 Ų | 34 | 63.8 Ų | 63.8 | 28% | 0.281 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -68.7 | -25.3 | 167 | 0 | 0 | 0 | 0 | 0 | 112.1 | V118 K123 S124 M125 | V118-A127 HydrophobicContact CG1-CB 3.44Å; V118-A127 VanDerWaalsContact CG1-CB 3.44Å; K123-A127 HydrophobicContact CB-CB 4.01Å; K123-A127 HydrophobicContact CD-CB 4.46Å; S124-A127 WeakPolarHBondContact O-CB 3.42Å; S124-A127 PolarHBondContact O-N 3.33Å; M125-A127 PolarHBondContact O-N 3.24Å; M125-A127 VanDerWaalsContact O-N 3.11Å |
| 128 | W | 98.3 | Very high | 97.5 | Very high | 11 Ų | 11 | 63.9 Ų | 63.9 | 4% | 0.042 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -94.5 | 122.6 | 172.5 | -65.4 | -79.5 | 0 | 0 | 0 | 109.4 | W49 V52 E56 F77 A115 V118 A119 M125 S130 W131 | W49-W128 HydrophobicContact CH2-CH2 4.42Å; W49-W128 AromaticContact CZ3-CH2 3.97Å; W49-W128 HydrophobicContact CZ3-CH2 3.97Å; W49-W128 HydrophobicContact CZ3-CZ3 4.41Å; V52-W128 HydrophobicContact CG1-CB 4.18Å; V52-W128 HydrophobicContact CG1-CD2 3.91Å; V52-W128 HydrophobicContact CG1-CE3 4.46Å; V52-W128 HydrophobicContact CG1-CG 3.73Å; E56-W128 WeakPolarHBondContact OE1-CB 3.3Å; F77-W128 PolarHBondContact O-NE1 3.4Å; A115-W128 HydrophobicContact CB-CH2 4.4Å; A115-W128 HydrophobicContact CB-CZ2 4.28Å; V118-W128 HydrophobicContact CB-CH2 3.49Å; V118-W128 VanDerWaalsContact CB-CH2 3.49Å; V118-W128 HydrophobicContact CB-CZ2 3.76Å; V118-W128 HydrophobicContact CB-CZ3 4.26Å; V118-W128 HydrophobicContact CG1-CD2 4.5Å; V118-W128 HydrophobicContact CG1-CE3 4.31Å; V118-W128 HydrophobicContact CG1-CH2 3.4Å; V118-W128 HydrophobicContact CG1-CZ2 3.6Å; V118-W128 HydrophobicContact CG1-CZ3 3.77Å; V118-W128 HydrophobicContact CG2-CH2 4.4Å; V118-W128 HydrophobicContact CG2-CZ2 4.21Å; A119-W128 HydrophobicContact CB-CZ3 4.4Å; M125-W128 HydrophobicContact CB-CE3 4.21Å; M125-W128 HydrophobicContact CB-CZ3 4.34Å; M125-W128 HydrophobicContact CG-CE3 4.21Å; M125-W128 HydrophobicContact CG-CZ3 3.95Å; M125-W128 PolarHBondContact O-N 2.88Å; M125-W128 VanDerWaalsContact O-N 3.16Å; W128-S130 PolarHBondContact O-N 3.35Å; W128-W131 HydrophobicContact CB-CB 4.09Å; W128-W131 WeakPolarHBondContact O-CB 3.28Å; W128-W131 PolarHBondContact O-N 3.07Å |
| 129 | D | 96.2 | Very high | 97.3 | Very high | 118 Ų | 118 | 69.9 Ų | 69.9 | 63% | 0.631 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.9 | -31.4 | 178.1 | -77.5 | -18 | 0 | 0 | 0 | 110.9 | W131 T132 Q133 | D129-W131 VanDerWaalsContact C-N 3.31Å; D129-W131 PolarHBondContact O-N 2.87Å; D129-T132 PolarHBondContact O-N 3.4Å; D129-Q133 WeakPolarHBondContact O-CG 3.27Å; D129-Q133 PolarHBondContact O-N 2.81Å; D129-Q133 PolarHBondContact O-NE2 2.99Å; D129-Q133 VanDerWaalsContact O-NE2 3.16Å |
| 130 | S | 95.9 | Very high | 97.3 | Very high | 9 Ų | 9 | 70.6 Ų | 70.6 | 6% | 0.063 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60 | -39.2 | 174.7 | 68.3 | 0 | 0 | 0 | 0 | 112.7 | E56 W128 T132 Q133 H134 | E56-S130 VanDerWaalsContact CD-OG 3.26Å; E56-S130 WeakPolarHBondContact CG-OG 3.08Å; E56-S130 WeakPolarHBondContact OE1-CB 3.2Å; E56-S130 PolarHBondContact OE1-OG 3.16Å; W128-S130 PolarHBondContact O-N 3.35Å; S130-T132 VanDerWaalsContact C-N 3.33Å; S130-T132 PolarHBondContact O-N 2.04Å; S130-Q133 PolarHBondContact O-N 3.21Å; S130-H134 WeakPolarHBondContact O-CB 2.99Å; S130-H134 PolarHBondContact O-N 2.96Å |
| 131 | W | 98.4 | Very high | 97 | Very high | 22 Ų | 22 | 71.3 Ų | 71.3 | 8% | 0.083 | 39% | 0.394 | C | S | . | . | I | π-helix | trans | -57.6 | -49.1 | 178.2 | 166.2 | -98.8 | 0 | 0 | 0 | 110.9 | Y44 D48 V52 M125 W128 D129 Q133 C135 A136 L140 | Y44-W131 HydrophobicContact CD1-CH2 4.07Å; Y44-W131 HydrophobicContact CD1-CZ2 4.31Å; Y44-W131 HydrophobicContact CE1-CH2 4.04Å; Y44-W131 AromaticContact CE1-CZ2 3.8Å; Y44-W131 HydrophobicContact CE1-CZ2 3.8Å; D48-W131 HydrophobicContact CB-CH2 4.01Å; D48-W131 HydrophobicContact CB-CZ3 3.62Å; D48-W131 WeakPolarHBondContact OD1-CH2 3.46Å; D48-W131 WeakPolarHBondContact OD1-CZ3 3.27Å; V52-W131 HydrophobicContact CG2-CB 4.03Å; V52-W131 HydrophobicContact CG2-CD2 4.48Å; V52-W131 HydrophobicContact CG2-CE3 3.77Å; M125-W131 VanDerWaalsContact C-CD1 3.46Å; M125-W131 HydrophobicContact CB-CB 4.42Å; M125-W131 HydrophobicContact CB-CD2 3.57Å; M125-W131 HydrophobicContact CB-CE3 4.17Å; M125-W131 HydrophobicContact CB-CG 3.66Å; M125-W131 HydrophobicContact CB-CZ2 4.31Å; M125-W131 HydrophobicContact CG-CD2 4.36Å; M125-W131 HydrophobicContact CG-CE3 4.49Å; M125-W131 VanDerWaalsContact O-CB 3.25Å; M125-W131 WeakPolarHBondContact O-CB 3.21Å; M125-W131 HydrophobicContact SD-CD2 3.91Å; M125-W131 HydrophobicContact SD-CE3 3.52Å; M125-W131 VanDerWaalsContact SD-CE3 3.52Å; M125-W131 HydrophobicContact SD-CH2 3.8Å; M125-W131 HydrophobicContact SD-CZ2 4.14Å; M125-W131 HydrophobicContact SD-CZ3 3.49Å; M125-W131 WeakPolarHBondContact SD-CZ3 3.36Å; W128-W131 HydrophobicContact CB-CB 4.09Å; W128-W131 WeakPolarHBondContact O-CB 3.28Å; W128-W131 PolarHBondContact O-N 3.07Å; D129-W131 VanDerWaalsContact C-N 3.31Å; D129-W131 PolarHBondContact O-N 2.87Å; W131-Q133 VanDerWaalsContact C-N 3.29Å; W131-Q133 PolarHBondContact O-N 2.78Å; W131-C135 HydrophobicContact CD2-CB 3.97Å; W131-C135 HydrophobicContact CE3-CB 3.26Å; W131-C135 HydrophobicContact CZ3-CB 3.6Å; W131-C135 WeakPolarHBondContact O-CB 3.44Å; W131-C135 PolarHBondContact O-N 2.85Å; W131-A136 HydrophobicContact CD2-CB 4.46Å; W131-A136 HydrophobicContact CZ2-CB 4.1Å; W131-A136 PolarHBondContact O-N 2.84Å; W131-L140 HydrophobicContact CZ3-CD1 4.25Å |
| 132 | T | 97.9 | Very high | 96.8 | Very high | 80 Ų | 80 | 76.4 Ų | 76.4 | 49% | 0.491 | 41% | 0.414 | S | S | . | . | I | π-helix | trans | -68.1 | -32.6 | -177.2 | -55 | 0 | 0 | 0 | 0 | 111.5 | D129 S130 | D129-T132 PolarHBondContact O-N 3.4Å; S130-T132 VanDerWaalsContact C-N 3.33Å; S130-T132 PolarHBondContact O-N 2.04Å |
| 133 | Q | 97.9 | Very high | 96.8 | Very high | 129 Ų | 129 | 69.4 Ų | 69.4 | 60% | 0.603 | 38% | 0.38 | S | S | * | . | I | π-helix | trans | -83.3 | -33.4 | -176.5 | -71.6 | 176.9 | 79.5 | 0 | 0 | 114 | D129 S130 W131 | D129-Q133 WeakPolarHBondContact O-CG 3.27Å; D129-Q133 PolarHBondContact O-N 2.81Å; D129-Q133 PolarHBondContact O-NE2 2.99Å; D129-Q133 VanDerWaalsContact O-NE2 3.16Å; S130-Q133 PolarHBondContact O-N 3.21Å; W131-Q133 VanDerWaalsContact C-N 3.29Å; W131-Q133 PolarHBondContact O-N 2.78Å |
| 134 | H | 98.1 | Very high | 96.8 | Very high | 76 Ų | 76 | 63.7 Ų | 63.7 | 35% | 0.352 | 36% | 0.356 | S | S | . | . | I | π-helix | trans | -128.1 | -21.4 | -166.7 | -58 | -58.9 | 0 | 0 | 0 | 115.2 | Y55 S130 H138 | Y55-H134 HydrophobicContact CD1-CB 4.19Å; Y55-H134 AromaticContact CD1-CD2 3.45Å; Y55-H134 VanDerWaalsContact CD1-CD2 3.45Å; Y55-H134 WeakPolarHBondContact CD1-CD2 3.49Å; Y55-H134 AromaticContact CD1-CG 3.76Å; Y55-H134 AromaticContact CD1-NE2 3.97Å; Y55-H134 HydrophobicContact CD2-CB 3.57Å; Y55-H134 HydrophobicContact CE1-CB 4.03Å; Y55-H134 AromaticContact CE1-CD2 3.79Å; Y55-H134 AromaticContact CE1-CG 3.65Å; Y55-H134 AromaticContact CE1-ND1 3.94Å; Y55-H134 HydrophobicContact CE2-CB 3.4Å; Y55-H134 AromaticContact CE2-CG 3.99Å; Y55-H134 HydrophobicContact CG-CB 3.98Å; Y55-H134 AromaticContact CG-CD2 3.7Å; Y55-H134 AromaticContact CG-CG 3.98Å; Y55-H134 AromaticContact CZ-CG 3.76Å; S130-H134 WeakPolarHBondContact O-CB 2.99Å; S130-H134 PolarHBondContact O-N 2.96Å; H134-H138 PolarHBondContact O-CD2 3.32Å; H134-H138 VanDerWaalsContact O-CD2 3.28Å |
| 135 | C | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.374 | C | S | . | . | I | π-helix | trans | -111.5 | -46.4 | -168.9 | -54.3 | 0 | 0 | 0 | 0 | 112.5 | C51 W131 G137 H138 L140 | C51-C135 VanDerWaalsContact C-SG 3.51Å; C51-C135 HydrophobicContact CB-CB 3.83Å; C51-C135 WeakPolarHBondContact CB-SG 3.35Å; C51-C135 WeakPolarHBondContact SG-CA 3.32Å; C51-C135 WeakPolarHBondContact SG-CB 3.48Å; C51-C135 CovalentContact SG-SG 2.03Å; C51-C135 PolarHBondContact SG-SG 2.93Å; W131-C135 HydrophobicContact CD2-CB 3.97Å; W131-C135 HydrophobicContact CE3-CB 3.26Å; W131-C135 HydrophobicContact CZ3-CB 3.6Å; W131-C135 WeakPolarHBondContact O-CB 3.44Å; W131-C135 PolarHBondContact O-N 2.85Å; C135-G137 PolarHBondContact O-N 2.85Å; C135-H138 PolarHBondContact O-N 2.81Å; C135-L140 HydrophobicContact CB-CD1 3.99Å |
| 136 | A | 97.7 | Very high | 96.6 | Very high | 41 Ų | 41 | 72.7 Ų | 72.7 | 34% | 0.339 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 123.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112 | W131 H138 | W131-A136 HydrophobicContact CD2-CB 4.46Å; W131-A136 HydrophobicContact CZ2-CB 4.1Å; W131-A136 PolarHBondContact O-N 2.84Å; A136-H138 VanDerWaalsContact C-N 3.35Å |
| 137 | G | 95.6 | Very high | 96.5 | Very high | 89 Ų | 89 | 66.7 Ų | 66.7 | 92% | 0.918 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | 3.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | C135 | C135-G137 PolarHBondContact O-N 2.85Š|
| 138 | H | 96 | Very high | 96.2 | Very high | 120 Ų | 120 | 70.7 Ų | 70.7 | 56% | 0.556 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -95.1 | 155.3 | 173.1 | -65.8 | -79.9 | 0 | 0 | 0 | 111.6 | H134 C135 A136 L140 | H134-H138 PolarHBondContact O-CD2 3.32Å; H134-H138 VanDerWaalsContact O-CD2 3.28Å; C135-H138 PolarHBondContact O-N 2.81Å; A136-H138 VanDerWaalsContact C-N 3.35Å; H138-L140 HydrophobicContact CB-CD2 3.96Å; H138-L140 PolarHBondContact O-N 2.78Å |
| 139 | D | 95 | Very high | 95.9 | Very high | 128 Ų | 128 | 71.2 Ų | 71.2 | 68% | 0.684 | 42% | 0.419 | S | S | * | . | trans | -76.2 | 104 | 167.8 | 178.7 | 2.8 | 0 | 0 | 0 | 109 | S141 | D139-S141 VanDerWaalsContact CG-OG 3.32Å; D139-S141 WeakPolarHBondContact OD1-CB 3.36Å; D139-S141 PolarHBondContact OD1-N 3.29Å; D139-S141 PolarHBondContact OD1-OG 2.68Å; D139-S141 PolarHBondContact OD2-OG 3.16Å | ||
| 140 | L | 96.6 | Very high | 95.2 | Very high | 16 Ų | 16 | 75.8 Ų | 75.8 | 8% | 0.084 | 43% | 0.427 | C | S | . | . | trans | -94.2 | 10.4 | -178.6 | -58.1 | -176.7 | 0 | 0 | 0 | 113 | D48 C51 W131 C135 H138 E142 W143 | D48-L140 HydrophobicContact CB-CD1 4.46Å; D48-L140 WeakPolarHBondContact OD1-CD1 3.26Å; C51-L140 HydrophobicContact CB-CD1 3.76Å; C51-L140 HydrophobicContact CB-CD2 4.16Å; W131-L140 HydrophobicContact CZ3-CD1 4.25Å; C135-L140 HydrophobicContact CB-CD1 3.99Å; H138-L140 HydrophobicContact CB-CD2 3.96Å; H138-L140 PolarHBondContact O-N 2.78Å; L140-E142 PolarHBondContact O-N 3.42Å; L140-W143 WeakPolarHBondContact O-CB 3.27Å; L140-W143 PolarHBondContact O-N 2.79Å | ||
| 141 | S | 92.7 | Very high | 93.9 | Very high | 70 Ų | 70 | 79.1 Ų | 79.1 | 49% | 0.49 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -64.5 | -25.6 | 175.2 | 68.9 | 0 | 0 | 0 | 0 | 112.6 | D139 W143 L144 | D139-S141 VanDerWaalsContact CG-OG 3.32Å; D139-S141 WeakPolarHBondContact OD1-CB 3.36Å; D139-S141 PolarHBondContact OD1-N 3.29Å; D139-S141 PolarHBondContact OD1-OG 2.68Å; D139-S141 PolarHBondContact OD2-OG 3.16Å; S141-W143 PolarHBondContact O-N 3.49Å; S141-L144 PolarHBondContact O-N 3.39Å |
| 142 | E | 93.4 | Very high | 92.3 | Very high | 142 Ų | 142 | 85.2 Ų | 85.2 | 66% | 0.664 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -61.1 | -31.2 | 176.4 | -173.8 | 166.8 | -161.9 | 0 | 0 | 112.4 | L140 L144 K145 | L140-E142 PolarHBondContact O-N 3.42Å; E142-L144 PolarHBondContact O-N 2.99Å; E142-K145 VanDerWaalsContact O-CB 3.3Å; E142-K145 WeakPolarHBondContact O-CB 3.35Å; E142-K145 PolarHBondContact O-N 3.39Å |
| 143 | W | 96.6 | Very high | 90.2 | Very high | 48 Ų | 48 | 86.1 Ų | 86.1 | 18% | 0.182 | 48% | 0.477 | C | S | . | . | G | 310 helix | trans | -59 | -18.8 | 174.8 | -76.5 | 101.8 | 0 | 0 | 0 | 113.8 | R26 L50 H54 F59 L140 S141 | R26-W143 WeakPolarHBondContact CD-O 3.48Å; R26-W143 HydrophobicContact CG-CE3 4.06Å; R26-W143 HydrophobicContact CG-CZ3 4.48Å; R26-W143 PolarHBondContact NH1-O 2.63Å; L50-W143 HydrophobicContact CB-CB 4.16Å; L50-W143 HydrophobicContact CB-CD2 4.2Å; L50-W143 HydrophobicContact CB-CE3 4.11Å; L50-W143 HydrophobicContact CB-CG 4.23Å; L50-W143 HydrophobicContact CD1-CB 3.94Å; H54-W143 HydrophobicContact CB-CH2 3.53Å; H54-W143 HydrophobicContact CB-CZ2 4.11Å; H54-W143 HydrophobicContact CB-CZ3 4.05Å; H54-W143 AromaticContact CD2-CH2 3.52Å; H54-W143 AromaticContact CG-CH2 3.32Å; H54-W143 AromaticContact ND1-CH2 3.81Å; F59-W143 HydrophobicContact CE2-CZ3 4.16Å; F59-W143 HydrophobicContact CZ-CE3 4.21Å; F59-W143 HydrophobicContact CZ-CH2 4.45Å; F59-W143 AromaticContact CZ-CZ3 3.68Å; F59-W143 HydrophobicContact CZ-CZ3 3.68Å; L140-W143 WeakPolarHBondContact O-CB 3.27Å; L140-W143 PolarHBondContact O-N 2.79Å; S141-W143 PolarHBondContact O-N 3.49Å |
| 144 | L | 96.3 | Very high | 88 | Confident | 19 Ų | 19 | 86.9 Ų | 86.9 | 10% | 0.099 | 49% | 0.485 | C | S | . | . | G | 310 helix | trans | -104.6 | -4.4 | -178 | -58.8 | 166.2 | 0 | 0 | 0 | 112.3 | A30 V46 L50 S141 E142 G146 C147 V149 L151 | A30-L144 HydrophobicContact CB-CD2 4.07Å; V46-L144 HydrophobicContact CB-CD2 3.97Å; V46-L144 HydrophobicContact CG1-CD2 3.84Å; L50-L144 HydrophobicContact CD1-CD2 3.8Å; S141-L144 PolarHBondContact O-N 3.39Å; E142-L144 PolarHBondContact O-N 2.99Å; L144-G146 PolarHBondContact O-N 2.8Å; L144-C147 WeakPolarHBondContact O-CB 3.39Å; L144-C147 PolarHBondContact O-N 3.1Å; L144-V149 HydrophobicContact CD2-CG2 4.2Å; L144-L151 HydrophobicContact CD1-CD1 4.04Å; L144-L151 HydrophobicContact CD1-CD2 3.64Å |
| 145 | K | 95.1 | Very high | 85.5 | Confident | 151 Ų | 151 | 87.6 Ų | 87.6 | 66% | 0.657 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 125.7 | -179.2 | -171 | 175.6 | -179.9 | 179 | 0 | 110.9 | R26 E142 C147 | R26-K145 PolarHBondContact NH1-O 2.95Å; R26-K145 PolarHBondContact NH2-O 3.13Å; E142-K145 VanDerWaalsContact O-CB 3.3Å; E142-K145 WeakPolarHBondContact O-CB 3.35Å; E142-K145 PolarHBondContact O-N 3.39Å; K145-C147 VanDerWaalsContact C-N 3.27Å; K145-C147 PolarHBondContact O-N 2.92Å |
| 146 | G | 96.1 | Very high | 83.1 | Confident | 79 Ų | 79 | 92.9 Ų | 92.9 | 81% | 0.814 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 2.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L144 | L144-G146 PolarHBondContact O-N 2.8Š|
| 147 | C | 96.7 | Very high | 80.9 | Confident | 18 Ų | 18 | 100.4 Ų | 100.4 | 12% | 0.122 | 56% | 0.556 | C | S | . | * | trans | -90.9 | 139.6 | 176.2 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | R26 C27 A30 L144 K145 V149 | R26-C147 PolarHBondContact NH1-SG 3.38Å; C27-C147 WeakPolarHBondContact CA-SG 3.27Å; C27-C147 HydrophobicContact CB-CB 3.7Å; C27-C147 WeakPolarHBondContact CB-SG 3.26Å; C27-C147 WeakPolarHBondContact SG-CA 3.2Å; C27-C147 WeakPolarHBondContact SG-CB 3.5Å; C27-C147 CovalentContact SG-SG 2.05Å; C27-C147 PolarHBondContact SG-SG 3.48Å; A30-C147 HydrophobicContact CB-CB 4.45Å; L144-C147 WeakPolarHBondContact O-CB 3.39Å; L144-C147 PolarHBondContact O-N 3.1Å; K145-C147 VanDerWaalsContact C-N 3.27Å; K145-C147 PolarHBondContact O-N 2.92Å; C147-V149 HydrophobicContact CB-CG1 4.37Å; C147-V149 HydrophobicContact CB-CG2 4.31Å; C147-V149 PolarHBondContact O-N 3.37Å; C147-V149 VanDerWaalsContact O-N 3.17Å | ||
| 148 | S | 92.3 | Very high | 78.3 | Confident | 119 Ų | 119 | 103.1 Ų | 103.1 | 83% | 0.832 | 55% | 0.55 | S | S | * | . | trans | -87.2 | 73.8 | 174.6 | -59.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 149 | V | 90.1 | Very high | 75.5 | Confident | 22 Ų | 22 | 104.1 Ų | 104.1 | 13% | 0.133 | 56% | 0.559 | C | S | . | * | trans | -115.7 | 145.9 | 178.4 | -71.3 | 0 | 0 | 0 | 0 | 111 | A30 K31 E34 L144 C147 L151 | A30-V149 HydrophobicContact CB-CG1 3.87Å; K31-V149 HydrophobicContact CB-CG1 4.32Å; E34-V149 VanDerWaalsContact OE2-CA 3.31Å; E34-V149 WeakPolarHBondContact OE2-CA 3.44Å; E34-V149 WeakPolarHBondContact OE2-CB 3.16Å; L144-V149 HydrophobicContact CD2-CG2 4.2Å; C147-V149 HydrophobicContact CB-CG1 4.37Å; C147-V149 HydrophobicContact CB-CG2 4.31Å; C147-V149 PolarHBondContact O-N 3.37Å; C147-V149 VanDerWaalsContact O-N 3.17Å; V149-L151 HydrophobicContact CB-CD2 4.31Å; V149-L151 HydrophobicContact CG2-CD2 3.58Å; V149-L151 HydrophobicContact CG2-CG 3.9Å; V149-L151 PolarHBondContact O-N 2.86Å | ||
| 150 | R | 82.3 | Confident | 73.6 | Confident | 214 Ų | 214 | 113.5 Ų | 113.5 | 81% | 0.808 | 59% | 0.585 | S | S | * | * | trans | -88.9 | 84.8 | 175.4 | -47.5 | 172.7 | 173.5 | 165.9 | -0.9 | 109.5 | E34 K152 | E34-R150 WeakPolarHBondContact OE1-CA 3.27Å; E34-R150 WeakPolarHBondContact OE1-CB 3.38Å; E34-R150 PolarHBondContact OE1-N 3Å; E34-R150 VanDerWaalsContact OE1-N 3.12Å; E34-R150 PolarHBondContact OE2-N 2.83Å; R150-K152 PolarHBondContact O-N 2.93Å | ||
| 151 | L | 68.7 | Low | 72.5 | Confident | 79 Ų | 79 | 118.4 Ų | 118.4 | 41% | 0.414 | 61% | 0.61 | S | S | . | * | trans | -65.2 | 130.5 | 175.4 | -56.1 | 179.5 | 0 | 0 | 0 | 109.8 | L144 V149 T153 | L144-L151 HydrophobicContact CD1-CD1 4.04Å; L144-L151 HydrophobicContact CD1-CD2 3.64Å; V149-L151 HydrophobicContact CB-CD2 4.31Å; V149-L151 HydrophobicContact CG2-CD2 3.58Å; V149-L151 HydrophobicContact CG2-CG 3.9Å; V149-L151 PolarHBondContact O-N 2.86Å; L151-T153 PolarHBondContact O-N 3.04Å | ||
| 152 | K | 64.2 | Low | 71.4 | Confident | 149 Ų | 149 | 120.9 Ų | 120.9 | 65% | 0.648 | 62% | 0.617 | S | S | * | * | trans | -65 | 104.4 | 162.5 | -70.2 | 177.1 | -170.7 | 150.8 | 0 | 106.5 | D39 R150 D154 | D39-K152 PolarHBondContact O-NZ 3.23Å; D39-K152 PolarHBondContact OD2-N 3.08Å; R150-K152 PolarHBondContact O-N 2.93Å; K152-D154 PolarHBondContact O-N 2.9Å | ||
| 153 | T | 54.5 | Low | 70.2 | Confident | 100 Ų | 100 | 119.7 Ų | 119.7 | 61% | 0.613 | 61% | 0.614 | S | S | * | * | trans | -61.8 | 135.7 | 168.5 | 51.6 | 0 | 0 | 0 | 0 | 107.9 | L151 S155 | L151-T153 PolarHBondContact O-N 3.04Å; T153-S155 PolarHBondContact O-N 3.1Å; T153-S155 WeakPolarHBondContact OG1-CB 3.21Å; T153-S155 PolarHBondContact OG1-OG 3Å | ||
| 154 | D | 52.1 | Low | 68.6 | Low | 145 Ų | 145 | 123.9 Ų | 123.9 | 78% | 0.775 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -65.9 | 34.1 | 164.7 | -76.9 | -31.8 | 0 | 0 | 0 | 111.6 | K152 S156 Y157 | K152-D154 PolarHBondContact O-N 2.9Å; D154-S156 PolarHBondContact O-N 2.95Å; D154-Y157 PolarHBondContact O-N 3.44Å |
| 155 | S | 44.9 | Very low | 66.9 | Low | 90 Ų | 90 | 130.5 Ų | 130.5 | 63% | 0.629 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 1 | 178 | 58.3 | 0 | 0 | 0 | 0 | 113.1 | T153 | T153-S155 PolarHBondContact O-N 3.1Å; T153-S155 WeakPolarHBondContact OG1-CB 3.21Å; T153-S155 PolarHBondContact OG1-OG 3Å |
| 156 | S | 49.1 | Very low | 65 | Low | 112 Ų | 112 | 129.1 Ų | 129.1 | 78% | 0.783 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -3 | 166.6 | 65.6 | 0 | 0 | 0 | 0 | 114.3 | D154 | D154-S156 PolarHBondContact O-N 2.95Š|
| 157 | Y | 51.4 | Low | 62.8 | Low | 198 Ų | 198 | 132.7 Ų | 132.7 | 78% | 0.776 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -89.9 | -10.5 | 179.5 | -163.7 | -101.6 | 0 | 0 | 0 | 115 | D154 | D154-Y157 PolarHBondContact O-N 3.44Š|
| 158 | N | 40.9 | Very low | 60.2 | Low | 147 Ų | 147 | 141.5 Ų | 141.5 | 79% | 0.786 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -109.3 | 44.4 | 179.6 | -68.2 | -26.4 | 0 | 0 | 0 | 113.7 | ||
| 159 | N | 37.5 | Very low | 57.5 | Low | 140 Ų | 140 | 143.4 Ų | 143.4 | 75% | 0.749 | 70% | 0.696 | S | S | * | * | trans | -131.5 | 70.8 | 166.1 | -158.1 | 25.4 | 0 | 0 | 0 | 111.1 | ||||
| 160 | W | 54.5 | Low | 54.5 | Low | 325 Ų | 325 | 154.5 Ų | 154.5 | 100% | 1.231 | 75% | 0.747 | S | S | * | * | trans | -146.5 | 0 | 153 | -76.1 | 103.8 | 0 | 0 | 0 | 108.9 |
Retrieved 160 of 160 residues in 156.1 ms
(Link to these results)