| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.8 | Very low | 56.2 | Low | 251 Ų | 251 | 129.9 Ų | 129.9 | 100% | 1.236 | 78% | 0.777 | S | S | * | * | 0 | 112.1 | 0 | -73.4 | -170.8 | 169.8 | 0 | 0 | 106.2 | |||||
| 2 | A | 36.4 | Very low | 58.9 | Low | 104 Ų | 104 | 133.6 Ų | 133.6 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -120.2 | 134.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 3 | E | 41.9 | Very low | 61.5 | Low | 192 Ų | 192 | 135.1 Ų | 135.1 | 90% | 0.897 | 78% | 0.775 | S | S | * | * | trans | -58.2 | 150.9 | -164.7 | -69.6 | 164.6 | 143.3 | 0 | 0 | 113.5 | A5 | E3-A5 PolarHBondContact O-N 2.94Š| ||
| 4 | G | 42.3 | Very low | 63.8 | Low | 75 Ų | 75 | 129.7 Ų | 129.7 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | -53.8 | 132.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A6 | G4-A6 PolarHBondContact O-N 3.1Š| ||
| 5 | A | 43.5 | Very low | 65.7 | Low | 102 Ų | 102 | 125.9 Ų | 125.9 | 84% | 0.843 | 72% | 0.719 | S | S | * | * | trans | -54.4 | 103.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | E3 T7 | E3-A5 PolarHBondContact O-N 2.94Å; A5-T7 PolarHBondContact O-N 3.47Å | ||
| 6 | A | 46.9 | Very low | 67.5 | Low | 93 Ų | 93 | 127.6 Ų | 127.6 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | trans | -55.6 | 115.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | G4 E8 | G4-A6 PolarHBondContact O-N 3.1Å; A6-E8 PolarHBondContact O-N 3.17Å | ||
| 7 | T | 57.9 | Low | 69.1 | Low | 105 Ų | 105 | 127.8 Ų | 127.8 | 64% | 0.644 | 71% | 0.712 | S | S | * | * | trans | -48.8 | 130 | 167.1 | 38.7 | 0 | 0 | 0 | 0 | 107.5 | A5 D9 | A5-T7 PolarHBondContact O-N 3.47Å; T7-D9 PolarHBondContact O-N 3.15Å; T7-D9 PolarHBondContact OG1-OD1 3.45Å; T7-D9 VanDerWaalsContact OG1-OD1 3.12Å | ||
| 8 | E | 59.4 | Low | 70.4 | Confident | 196 Ų | 196 | 124.4 Ų | 124.4 | 92% | 0.916 | 69% | 0.692 | S | S | * | * | trans | -63.8 | 88.1 | 169.1 | -69.5 | -167.2 | 163.7 | 0 | 0 | 107.2 | A6 Y10 | A6-E8 PolarHBondContact O-N 3.17Å; E8-Y10 PolarHBondContact O-N 2.93Å; E8-Y10 VanDerWaalsContact O-N 3.17Å | ||
| 9 | D | 74.6 | Confident | 71.7 | Confident | 134 Ų | 134 | 121.6 Ų | 121.6 | 72% | 0.717 | 68% | 0.678 | S | S | * | * | trans | -68.4 | 113.9 | -179.9 | -81.3 | -10.3 | 0 | 0 | 0 | 107.6 | T7 | T7-D9 PolarHBondContact O-N 3.15Å; T7-D9 PolarHBondContact OG1-OD1 3.45Å; T7-D9 VanDerWaalsContact OG1-OD1 3.12Å | ||
| 10 | Y | 82.9 | Confident | 72.9 | Confident | 98 Ų | 98 | 119.5 Ų | 119.5 | 38% | 0.384 | 67% | 0.669 | S | S | . | * | trans | -60.9 | 162.5 | 168.4 | 50 | -100 | 0 | 0 | 0 | 110.3 | E8 Q12 I14 D15 L18 | E8-Y10 PolarHBondContact O-N 2.93Å; E8-Y10 VanDerWaalsContact O-N 3.17Å; Y10-Q12 PolarHBondContact O-N 3.38Å; Y10-I14 HydrophobicContact CD2-CD1 4.27Å; Y10-I14 HydrophobicContact CD2-CG1 3.76Å; Y10-I14 HydrophobicContact CG-CD1 4.37Å; Y10-I14 HydrophobicContact CG-CG1 4.34Å; Y10-D15 HydrophobicContact CE2-CB 3.84Å; Y10-D15 PolarHBondContact OH-OD1 3.39Å; Y10-L18 HydrophobicContact CD1-CD1 3.76Å; Y10-L18 HydrophobicContact CD2-CD1 3.59Å; Y10-L18 HydrophobicContact CE1-CD1 3.76Å; Y10-L18 HydrophobicContact CE2-CD1 3.62Å; Y10-L18 HydrophobicContact CG-CD1 3.65Å | ||
| 11 | P | 91 | Very high | 73.9 | Confident | 79 Ų | 79 | 118 Ų | 118 | 51% | 0.513 | 66% | 0.655 | S | S | . | * | trans | -55.4 | 135.2 | 179.7 | -23.6 | 33.3 | 0 | 0 | 0 | 112.2 | E13 I14 | P11-E13 WeakPolarHBondContact CB-OE2 3.07Å; P11-E13 PolarHBondContact O-N 3.25Å; P11-E13 VanDerWaalsContact O-N 3.07Å; P11-I14 WeakPolarHBondContact O-CG1 3.35Å; P11-I14 PolarHBondContact O-N 3.07Å; P11-I14 VanDerWaalsContact O-N 3.07Å | ||
| 12 | Q | 87.9 | Confident | 76.5 | Confident | 174 Ų | 174 | 110.3 Ų | 110.3 | 81% | 0.813 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -60.3 | -24.2 | -176.4 | -71.9 | -175.2 | -10.3 | 0 | 0 | 112.7 | Y10 I14 D15 | Y10-Q12 PolarHBondContact O-N 3.38Å; Q12-I14 PolarHBondContact O-N 3.18Å; Q12-D15 WeakPolarHBondContact O-CB 3.36Å; Q12-D15 PolarHBondContact O-N 2.97Å |
| 13 | E | 93.1 | Very high | 79.4 | Confident | 153 Ų | 153 | 108.7 Ų | 108.7 | 72% | 0.715 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -62.4 | -21.8 | 178.4 | -58.6 | 82.5 | 177.9 | 0 | 0 | 113.2 | P11 | P11-E13 WeakPolarHBondContact CB-OE2 3.07Å; P11-E13 PolarHBondContact O-N 3.25Å; P11-E13 VanDerWaalsContact O-N 3.07Å |
| 14 | I | 93.1 | Very high | 82 | Confident | 60 Ų | 60 | 102.6 Ų | 102.6 | 31% | 0.308 | 58% | 0.58 | S | S | . | * | G | 310 helix | trans | -104.5 | -2 | 179.5 | 69.1 | 166.2 | 0 | 0 | 0 | 113.6 | Y10 P11 Q12 E16 Q17 L18 | Y10-I14 HydrophobicContact CD2-CD1 4.27Å; Y10-I14 HydrophobicContact CD2-CG1 3.76Å; Y10-I14 HydrophobicContact CG-CD1 4.37Å; Y10-I14 HydrophobicContact CG-CG1 4.34Å; P11-I14 WeakPolarHBondContact O-CG1 3.35Å; P11-I14 PolarHBondContact O-N 3.07Å; P11-I14 VanDerWaalsContact O-N 3.07Å; Q12-I14 PolarHBondContact O-N 3.18Å; I14-E16 PolarHBondContact O-N 3.2Å; I14-Q17 WeakPolarHBondContact O-CB 3.08Å; I14-Q17 PolarHBondContact O-N 3.32Å; I14-Q17 VanDerWaalsContact O-N 3.14Å; I14-L18 HydrophobicContact CD1-CD1 3.76Å; I14-L18 HydrophobicContact CD1-CG 4.34Å; I14-L18 HydrophobicContact CG1-CD1 3.91Å; I14-L18 HydrophobicContact CG1-CG 4.43Å; I14-L18 WeakPolarHBondContact O-CG 3.44Å; I14-L18 PolarHBondContact O-N 3.48Å |
| 15 | D | 92.9 | Very high | 84.5 | Confident | 73 Ų | 73 | 101.4 Ų | 101.4 | 39% | 0.39 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -57.3 | -48.4 | -178 | -176.2 | 87.7 | 0 | 0 | 0 | 112.7 | Y10 Q12 Q17 L18 T19 | Y10-D15 HydrophobicContact CE2-CB 3.84Å; Y10-D15 PolarHBondContact OH-OD1 3.39Å; Q12-D15 WeakPolarHBondContact O-CB 3.36Å; Q12-D15 PolarHBondContact O-N 2.97Å; D15-Q17 VanDerWaalsContact C-N 3.29Å; D15-Q17 PolarHBondContact O-N 3.11Å; D15-L18 PolarHBondContact O-N 3.1Å; D15-T19 WeakPolarHBondContact O-CB 3.43Å; D15-T19 PolarHBondContact O-N 3.07Å; D15-T19 PolarHBondContact O-OG1 3.19Å |
| 16 | E | 94.5 | Very high | 87.1 | Confident | 152 Ų | 152 | 99.7 Ų | 99.7 | 71% | 0.71 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.4 | -38.9 | 178 | -173.5 | 179.4 | -172.2 | 0 | 0 | 111.6 | I14 T20 | I14-E16 PolarHBondContact O-N 3.2Å; E16-T20 VanDerWaalsContact O-CB 3.25Å; E16-T20 WeakPolarHBondContact O-CB 3.21Å; E16-T20 PolarHBondContact O-N 2.95Å; E16-T20 PolarHBondContact O-OG1 2.75Å |
| 17 | Q | 93.9 | Very high | 89.4 | Confident | 131 Ų | 131 | 97.6 Ų | 97.6 | 61% | 0.612 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.5 | -42.3 | 179.4 | -61.6 | 177.1 | -25.7 | 0 | 0 | 111.2 | I14 D15 F21 | I14-Q17 WeakPolarHBondContact O-CB 3.08Å; I14-Q17 PolarHBondContact O-N 3.32Å; I14-Q17 VanDerWaalsContact O-N 3.14Å; D15-Q17 VanDerWaalsContact C-N 3.29Å; D15-Q17 PolarHBondContact O-N 3.11Å; Q17-F21 VanDerWaalsContact O-CB 3.23Å; Q17-F21 WeakPolarHBondContact O-CB 3.29Å; Q17-F21 PolarHBondContact O-N 3.17Å |
| 18 | L | 93.1 | Very high | 91.2 | Very high | 67 Ų | 67 | 95.6 Ų | 95.6 | 35% | 0.351 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.3 | -44 | 177.8 | -72.1 | 174.8 | 0 | 0 | 0 | 111.7 | Y10 I14 D15 T20 F21 D22 | Y10-L18 HydrophobicContact CD1-CD1 3.76Å; Y10-L18 HydrophobicContact CD2-CD1 3.59Å; Y10-L18 HydrophobicContact CE1-CD1 3.76Å; Y10-L18 HydrophobicContact CE2-CD1 3.62Å; Y10-L18 HydrophobicContact CG-CD1 3.65Å; I14-L18 HydrophobicContact CD1-CD1 3.76Å; I14-L18 HydrophobicContact CD1-CG 4.34Å; I14-L18 HydrophobicContact CG1-CD1 3.91Å; I14-L18 HydrophobicContact CG1-CG 4.43Å; I14-L18 WeakPolarHBondContact O-CG 3.44Å; I14-L18 PolarHBondContact O-N 3.48Å; D15-L18 PolarHBondContact O-N 3.1Å; L18-T20 VanDerWaalsContact C-N 3.33Å; L18-T20 PolarHBondContact O-N 3.28Å; L18-F21 PolarHBondContact O-N 3.13Å; L18-D22 WeakPolarHBondContact O-CB 3.45Å; L18-D22 PolarHBondContact O-N 3.44Å |
| 19 | T | 94.7 | Very high | 92.9 | Very high | 71 Ų | 71 | 91.6 Ų | 91.6 | 44% | 0.436 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 176.4 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | D15 S23 | D15-T19 WeakPolarHBondContact O-CB 3.43Å; D15-T19 PolarHBondContact O-N 3.07Å; D15-T19 PolarHBondContact O-OG1 3.19Å; T19-S23 WeakPolarHBondContact O-CB 3.5Å; T19-S23 PolarHBondContact O-N 3.02Å; T19-S23 PolarHBondContact O-OG 3.3Å |
| 20 | T | 96.4 | Very high | 94 | Very high | 79 Ų | 79 | 89.5 Ų | 89.5 | 49% | 0.485 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 175.1 | -60.9 | 0 | 0 | 0 | 0 | 111.6 | E16 L18 S24 | E16-T20 VanDerWaalsContact O-CB 3.25Å; E16-T20 WeakPolarHBondContact O-CB 3.21Å; E16-T20 PolarHBondContact O-N 2.95Å; E16-T20 PolarHBondContact O-OG1 2.75Å; L18-T20 VanDerWaalsContact C-N 3.33Å; L18-T20 PolarHBondContact O-N 3.28Å; T20-S24 WeakPolarHBondContact O-CB 3.42Å; T20-S24 PolarHBondContact O-N 3.17Å; T20-S24 PolarHBondContact O-OG 3.12Å |
| 21 | F | 94.6 | Very high | 94.5 | Very high | 88 Ų | 88 | 91.5 Ų | 91.5 | 39% | 0.386 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.8 | -48.5 | 177.3 | 179.2 | -106.1 | 0 | 0 | 0 | 111.6 | Q17 L18 S23 S24 V25 M69 T73 | Q17-F21 VanDerWaalsContact O-CB 3.23Å; Q17-F21 WeakPolarHBondContact O-CB 3.29Å; Q17-F21 PolarHBondContact O-N 3.17Å; L18-F21 PolarHBondContact O-N 3.13Å; F21-S23 PolarHBondContact O-N 2.99Å; F21-S24 PolarHBondContact O-N 3.16Å; F21-S24 VanDerWaalsContact O-N 3.17Å; F21-V25 HydrophobicContact CD1-CG2 4.25Å; F21-V25 HydrophobicContact CD2-CG2 4.21Å; F21-V25 HydrophobicContact CE1-CG2 3.85Å; F21-V25 HydrophobicContact CE2-CG2 3.81Å; F21-V25 HydrophobicContact CG-CG2 4.42Å; F21-V25 HydrophobicContact CZ-CG2 3.62Å; F21-V25 WeakPolarHBondContact O-CG2 3.41Å; F21-V25 PolarHBondContact O-N 2.89Å; F21-M69 HydrophobicContact CE2-CG 4.04Å; F21-M69 HydrophobicContact CE2-SD 3.49Å; F21-M69 WeakPolarHBondContact CE2-SD 3.49Å; F21-M69 HydrophobicContact CZ-CE 4.29Å; F21-M69 HydrophobicContact CZ-CG 4.18Å; F21-M69 HydrophobicContact CZ-SD 3.79Å; F21-T73 HydrophobicContact CZ-CG2 4.5Å |
| 22 | D | 95.1 | Very high | 94.5 | Very high | 90 Ų | 90 | 90.7 Ų | 90.7 | 48% | 0.481 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.3 | -47.8 | 177.1 | 179.8 | 74.6 | 0 | 0 | 0 | 111.4 | L18 S24 V25 N26 | L18-D22 WeakPolarHBondContact O-CB 3.45Å; L18-D22 PolarHBondContact O-N 3.44Å; D22-S24 VanDerWaalsContact C-N 3.29Å; D22-S24 PolarHBondContact O-N 3.45Å; D22-V25 PolarHBondContact O-N 3.14Å; D22-N26 VanDerWaalsContact CG-ND2 3.35Å; D22-N26 WeakPolarHBondContact O-CB 3.46Å; D22-N26 PolarHBondContact O-N 3.43Å; D22-N26 PolarHBondContact O-ND2 3.33Å; D22-N26 PolarHBondContact OD1-ND2 3.06Å; D22-N26 PolarHBondContact OD2-ND2 2.92Å |
| 23 | S | 97.5 | Very high | 94.8 | Very high | 70 Ų | 70 | 87.4 Ų | 87.4 | 49% | 0.49 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -57.7 | -43 | 176.1 | -62 | 0 | 0 | 0 | 0 | 111.9 | T19 F21 A27 | T19-S23 WeakPolarHBondContact O-CB 3.5Å; T19-S23 PolarHBondContact O-N 3.02Å; T19-S23 PolarHBondContact O-OG 3.3Å; F21-S23 PolarHBondContact O-N 2.99Å; S23-A27 WeakPolarHBondContact O-CB 3.43Å; S23-A27 PolarHBondContact O-N 2.71Å |
| 24 | S | 96.5 | Very high | 94.7 | Very high | 65 Ų | 65 | 87.5 Ų | 87.5 | 46% | 0.455 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.7 | -43.2 | 179.4 | -60.4 | 0 | 0 | 0 | 0 | 112.2 | T20 F21 D22 A27 V28 | T20-S24 WeakPolarHBondContact O-CB 3.42Å; T20-S24 PolarHBondContact O-N 3.17Å; T20-S24 PolarHBondContact O-OG 3.12Å; F21-S24 PolarHBondContact O-N 3.16Å; F21-S24 VanDerWaalsContact O-N 3.17Å; D22-S24 VanDerWaalsContact C-N 3.29Å; D22-S24 PolarHBondContact O-N 3.45Å; S24-A27 PolarHBondContact O-N 3.35Å; S24-V28 WeakPolarHBondContact O-CG2 3.23Å; S24-V28 PolarHBondContact O-N 3.28Å |
| 25 | V | 95.6 | Very high | 94.5 | Very high | 50 Ų | 50 | 88 Ų | 88 | 30% | 0.303 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 177.5 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | F21 D22 V28 K29 M69 | F21-V25 HydrophobicContact CD1-CG2 4.25Å; F21-V25 HydrophobicContact CD2-CG2 4.21Å; F21-V25 HydrophobicContact CE1-CG2 3.85Å; F21-V25 HydrophobicContact CE2-CG2 3.81Å; F21-V25 HydrophobicContact CG-CG2 4.42Å; F21-V25 HydrophobicContact CZ-CG2 3.62Å; F21-V25 WeakPolarHBondContact O-CG2 3.41Å; F21-V25 PolarHBondContact O-N 2.89Å; D22-V25 PolarHBondContact O-N 3.14Å; V25-V28 PolarHBondContact O-N 2.89Å; V25-K29 WeakPolarHBondContact O-CB 3.39Å; V25-K29 PolarHBondContact O-N 3Å; V25-M69 HydrophobicContact CG2-CE 4.11Å; V25-M69 HydrophobicContact CG2-SD 4.34Å |
| 26 | N | 96.9 | Very high | 94.3 | Very high | 66 Ų | 66 | 91.3 Ų | 91.3 | 35% | 0.353 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 176 | -78.2 | -39.1 | 0 | 0 | 0 | 112 | D22 V28 K29 T30 | D22-N26 VanDerWaalsContact CG-ND2 3.35Å; D22-N26 WeakPolarHBondContact O-CB 3.46Å; D22-N26 PolarHBondContact O-N 3.43Å; D22-N26 PolarHBondContact O-ND2 3.33Å; D22-N26 PolarHBondContact OD1-ND2 3.06Å; D22-N26 PolarHBondContact OD2-ND2 2.92Å; N26-V28 PolarHBondContact O-N 2.87Å; N26-K29 WeakPolarHBondContact O-CB 3.39Å; N26-K29 PolarHBondContact O-N 2.98Å; N26-T30 PolarHBondContact O-N 3.3Å; N26-T30 PolarHBondContact O-OG1 2.99Å |
| 27 | A | 96.8 | Very high | 94.1 | Very high | 49 Ų | 49 | 88.7 Ų | 88.7 | 41% | 0.405 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S23 S24 T30 M31 | S23-A27 WeakPolarHBondContact O-CB 3.43Å; S23-A27 PolarHBondContact O-N 2.71Å; S24-A27 PolarHBondContact O-N 3.35Å; A27-T30 PolarHBondContact O-N 2.68Å; A27-M31 WeakPolarHBondContact O-CG 3.46Å; A27-M31 PolarHBondContact O-N 2.89Å; A27-M31 VanDerWaalsContact O-N 3.13Å |
| 28 | V | 95.1 | Very high | 93.8 | Very high | 62 Ų | 62 | 87.1 Ų | 87.1 | 38% | 0.376 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 176.5 | 173 | 0 | 0 | 0 | 0 | 111.2 | S24 V25 N26 M31 L32 L66 | S24-V28 WeakPolarHBondContact O-CG2 3.23Å; S24-V28 PolarHBondContact O-N 3.28Å; V25-V28 PolarHBondContact O-N 2.89Å; N26-V28 PolarHBondContact O-N 2.87Å; V28-M31 PolarHBondContact O-N 3.39Å; V28-L32 WeakPolarHBondContact O-CB 3.41Å; V28-L32 PolarHBondContact O-N 3.21Å; V28-L66 HydrophobicContact CG1-CD2 4.25Å |
| 29 | K | 95.3 | Very high | 93.4 | Very high | 113 Ų | 113 | 86.2 Ų | 86.2 | 49% | 0.491 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.8 | -50 | 176.7 | 178.6 | -178.5 | 171.9 | -173.7 | 0 | 111.4 | V25 N26 M31 L32 E33 | V25-K29 WeakPolarHBondContact O-CB 3.39Å; V25-K29 PolarHBondContact O-N 3Å; N26-K29 WeakPolarHBondContact O-CB 3.39Å; N26-K29 PolarHBondContact O-N 2.98Å; K29-M31 VanDerWaalsContact C-N 3.32Å; K29-M31 PolarHBondContact O-N 3.36Å; K29-L32 PolarHBondContact O-N 3.24Å; K29-L32 VanDerWaalsContact O-N 3.14Å; K29-E33 WeakPolarHBondContact CE-OE1 3.45Å; K29-E33 HydrophobicContact CG-CG 4.46Å; K29-E33 WeakPolarHBondContact O-CG 3.47Å; K29-E33 PolarHBondContact O-N 2.89Å |
| 30 | T | 96.5 | Very high | 92.8 | Very high | 90 Ų | 90 | 90.7 Ų | 90.7 | 55% | 0.552 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60 | -40.7 | 178.1 | -58.5 | 0 | 0 | 0 | 0 | 112.2 | N26 A27 K34 | N26-T30 PolarHBondContact O-N 3.3Å; N26-T30 PolarHBondContact O-OG1 2.99Å; A27-T30 PolarHBondContact O-N 2.68Å; T30-K34 PolarHBondContact O-N 3.5Å; T30-K34 VanDerWaalsContact O-N 3.14Å |
| 31 | M | 93.3 | Very high | 92.2 | Very high | 140 Ų | 140 | 92.9 Ų | 92.9 | 69% | 0.69 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.1 | -41.5 | 175.8 | -69.1 | -174.9 | -170.1 | 0 | 0 | 112 | A27 V28 K29 K34 L35 | A27-M31 WeakPolarHBondContact O-CG 3.46Å; A27-M31 PolarHBondContact O-N 2.89Å; A27-M31 VanDerWaalsContact O-N 3.13Å; V28-M31 PolarHBondContact O-N 3.39Å; K29-M31 VanDerWaalsContact C-N 3.32Å; K29-M31 PolarHBondContact O-N 3.36Å; M31-K34 PolarHBondContact O-N 3.01Å; M31-L35 PolarHBondContact O-N 3.06Å |
| 32 | L | 92.4 | Very high | 91.6 | Very high | 62 Ų | 62 | 93 Ų | 93 | 33% | 0.325 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.6 | -42.1 | -180 | -174 | 61.9 | 0 | 0 | 0 | 111.8 | V28 K29 K34 L35 M36 | V28-L32 WeakPolarHBondContact O-CB 3.41Å; V28-L32 PolarHBondContact O-N 3.21Å; K29-L32 PolarHBondContact O-N 3.24Å; K29-L32 VanDerWaalsContact O-N 3.14Å; L32-K34 VanDerWaalsContact C-N 3.31Å; L32-K34 PolarHBondContact O-N 3Å; L32-L35 HydrophobicContact CD1-CD2 4.49Å; L32-L35 WeakPolarHBondContact O-CB 3.47Å; L32-L35 PolarHBondContact O-N 3.48Å; L32-L35 VanDerWaalsContact O-N 3.13Å; L32-M36 HydrophobicContact CD1-CG 4.27Å; L32-M36 HydrophobicContact CD1-SD 4.31Å; L32-M36 HydrophobicContact CD2-SD 4.37Å; L32-M36 HydrophobicContact CG-CG 4.31Å; L32-M36 HydrophobicContact CG-SD 3.91Å; L32-M36 WeakPolarHBondContact O-CB 3.46Å; L32-M36 VanDerWaalsContact O-CG 3.29Å; L32-M36 WeakPolarHBondContact O-CG 3.39Å; L32-M36 PolarHBondContact O-N 3.32Å |
| 33 | E | 93.8 | Very high | 90.9 | Very high | 105 Ų | 105 | 90 Ų | 90 | 49% | 0.491 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.7 | -44.2 | 175.1 | -74.8 | 172.7 | 172.4 | 0 | 0 | 111.4 | K29 L35 M36 S37 | K29-E33 WeakPolarHBondContact CE-OE1 3.45Å; K29-E33 HydrophobicContact CG-CG 4.46Å; K29-E33 WeakPolarHBondContact O-CG 3.47Å; K29-E33 PolarHBondContact O-N 2.89Å; E33-L35 PolarHBondContact O-N 3.44Å; E33-M36 PolarHBondContact O-N 3.42Å; E33-S37 WeakPolarHBondContact O-CB 3.44Å; E33-S37 PolarHBondContact O-N 2.96Å |
| 34 | K | 91.8 | Very high | 90 | Very high | 155 Ų | 155 | 89 Ų | 89 | 67% | 0.674 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.1 | -45.3 | 173.8 | -177.2 | 178.4 | 179.5 | 179.4 | 0 | 111.5 | T30 M31 L32 S37 | T30-K34 PolarHBondContact O-N 3.5Å; T30-K34 VanDerWaalsContact O-N 3.14Å; M31-K34 PolarHBondContact O-N 3.01Å; L32-K34 VanDerWaalsContact C-N 3.31Å; L32-K34 PolarHBondContact O-N 3Å; K34-S37 PolarHBondContact O-N 3.41Å; K34-S37 PolarHBondContact O-OG 2.91Å |
| 35 | L | 88.1 | Confident | 89.4 | Confident | 69 Ų | 69 | 94.1 Ų | 94.1 | 36% | 0.361 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 178.1 | -175.3 | 67.4 | 0 | 0 | 0 | 111.8 | M31 L32 E33 S37 M38 L55 | M31-L35 PolarHBondContact O-N 3.06Å; L32-L35 HydrophobicContact CD1-CD2 4.49Å; L32-L35 WeakPolarHBondContact O-CB 3.47Å; L32-L35 PolarHBondContact O-N 3.48Å; L32-L35 VanDerWaalsContact O-N 3.13Å; E33-L35 PolarHBondContact O-N 3.44Å; L35-S37 VanDerWaalsContact C-N 3.32Å; L35-S37 PolarHBondContact O-N 3.26Å; L35-M38 WeakPolarHBondContact O-CB 3.49Å; L35-M38 PolarHBondContact O-N 3.18Å; L35-L55 HydrophobicContact CD1-CD1 4.27Å |
| 36 | M | 88.9 | Confident | 89 | Confident | 144 Ų | 144 | 99.6 Ų | 99.6 | 71% | 0.709 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -71.3 | -24.5 | -179.6 | -70.4 | -179.5 | 68.7 | 0 | 0 | 113.4 | L32 E33 M38 | L32-M36 HydrophobicContact CD1-CG 4.27Å; L32-M36 HydrophobicContact CD1-SD 4.31Å; L32-M36 HydrophobicContact CD2-SD 4.37Å; L32-M36 HydrophobicContact CG-CG 4.31Å; L32-M36 HydrophobicContact CG-SD 3.91Å; L32-M36 WeakPolarHBondContact O-CB 3.46Å; L32-M36 VanDerWaalsContact O-CG 3.29Å; L32-M36 WeakPolarHBondContact O-CG 3.39Å; L32-M36 PolarHBondContact O-N 3.32Å; E33-M36 PolarHBondContact O-N 3.42Å; M36-M38 PolarHBondContact O-N 2.87Å |
| 37 | S | 91 | Very high | 88.6 | Confident | 97 Ų | 97 | 98.6 Ų | 98.6 | 68% | 0.678 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -16.9 | 173.1 | 74.2 | 0 | 0 | 0 | 0 | 113.5 | E33 K34 L35 | E33-S37 WeakPolarHBondContact O-CB 3.44Å; E33-S37 PolarHBondContact O-N 2.96Å; K34-S37 PolarHBondContact O-N 3.41Å; K34-S37 PolarHBondContact O-OG 2.91Å; L35-S37 VanDerWaalsContact C-N 3.32Å; L35-S37 PolarHBondContact O-N 3.26Å |
| 38 | M | 86.4 | Confident | 88.4 | Confident | 97 Ų | 97 | 99 Ų | 99 | 48% | 0.478 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -84.7 | 132.3 | 178 | -58.6 | 178.6 | 71.2 | 0 | 0 | 110.4 | L35 M36 R40 L43 | L35-M38 WeakPolarHBondContact O-CB 3.49Å; L35-M38 PolarHBondContact O-N 3.18Å; M36-M38 PolarHBondContact O-N 2.87Å; M38-R40 PolarHBondContact O-N 2.76Å; M38-L43 HydrophobicContact CE-CD1 4.03Å |
| 39 | S | 85.8 | Confident | 88.2 | Confident | 48 Ų | 48 | 101.1 Ų | 101.1 | 34% | 0.336 | 51% | 0.51 | S | S | . | . | trans | -61.9 | 124.8 | 172.6 | 161.8 | 0 | 0 | 0 | 0 | 110.4 | N41 D42 L43 | S39-N41 PolarHBondContact O-N 3.23Å; S39-N41 PolarHBondContact OG-N 2.78Å; S39-D42 VanDerWaalsContact CB-CG 3.41Å; S39-D42 WeakPolarHBondContact CB-OD1 3.49Å; S39-D42 PolarHBondContact O-N 3.46Å; S39-D42 VanDerWaalsContact OG-CG 3.32Å; S39-D42 PolarHBondContact OG-N 2.86Å; S39-D42 PolarHBondContact OG-OD1 3.03Å; S39-L43 PolarHBondContact O-N 2.84Å; S39-L43 VanDerWaalsContact O-N 3.1Å | ||
| 40 | R | 82.1 | Confident | 88.1 | Confident | 166 Ų | 166 | 97.1 Ų | 97.1 | 63% | 0.626 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.9 | -37.4 | 175.7 | -169.4 | 176.8 | -172.8 | -166.8 | 3.3 | 111.4 | M38 L43 M44 D56 | M38-R40 PolarHBondContact O-N 2.76Å; R40-L43 PolarHBondContact O-N 2.94Å; R40-M44 HydrophobicContact CG-CG 4.45Å; R40-M44 WeakPolarHBondContact O-CG 3.44Å; R40-M44 PolarHBondContact O-N 3.33Å; R40-D56 IonicContact NH2-OD1 3.9Å; R40-D56 PolarHBondContact NH2-OD1 3.38Å |
| 41 | N | 82.7 | Confident | 87.8 | Confident | 125 Ų | 125 | 97 Ų | 97 | 67% | 0.668 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.4 | -42.5 | 177.7 | -71.3 | -40.7 | 0 | 0 | 0 | 111.3 | S39 L43 M44 Q45 | S39-N41 PolarHBondContact O-N 3.23Å; S39-N41 PolarHBondContact OG-N 2.78Å; N41-L43 PolarHBondContact O-N 2.98Å; N41-M44 PolarHBondContact O-N 3.5Å; N41-Q45 WeakPolarHBondContact O-CG 3.03Å; N41-Q45 PolarHBondContact O-N 2.92Å; N41-Q45 VanDerWaalsContact O-N 3.15Å |
| 42 | D | 82.3 | Confident | 87.8 | Confident | 91 Ų | 91 | 92.5 Ų | 92.5 | 49% | 0.487 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.2 | -34.4 | 178.7 | -63.2 | 17.8 | 0 | 0 | 0 | 111.2 | S39 K46 | S39-D42 VanDerWaalsContact CB-CG 3.41Å; S39-D42 WeakPolarHBondContact CB-OD1 3.49Å; S39-D42 PolarHBondContact O-N 3.46Å; S39-D42 VanDerWaalsContact OG-CG 3.32Å; S39-D42 PolarHBondContact OG-N 2.86Å; S39-D42 PolarHBondContact OG-OD1 3.03Å; D42-K46 VanDerWaalsContact O-CG 3.29Å; D42-K46 WeakPolarHBondContact O-CG 3.25Å; D42-K46 PolarHBondContact O-N 3.37Å |
| 43 | L | 80.2 | Confident | 87.8 | Confident | 26 Ų | 26 | 91.2 Ų | 91.2 | 14% | 0.136 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -73.2 | -40 | 179.4 | -158.2 | 55.8 | 0 | 0 | 0 | 111.7 | M38 S39 R40 N41 Q45 K46 L47 L55 | M38-L43 HydrophobicContact CE-CD1 4.03Å; S39-L43 PolarHBondContact O-N 2.84Å; S39-L43 VanDerWaalsContact O-N 3.1Å; R40-L43 PolarHBondContact O-N 2.94Å; N41-L43 PolarHBondContact O-N 2.98Å; L43-Q45 VanDerWaalsContact C-N 3.27Å; L43-Q45 PolarHBondContact O-N 2.89Å; L43-K46 PolarHBondContact O-N 3.25Å; L43-L47 HydrophobicContact CD1-CD1 3.85Å; L43-L47 HydrophobicContact CD1-CG 4.13Å; L43-L47 HydrophobicContact CG-CD1 3.66Å; L43-L47 HydrophobicContact CG-CG 4.3Å; L43-L47 WeakPolarHBondContact O-CB 3.47Å; L43-L47 WeakPolarHBondContact O-CG 3.36Å; L43-L47 PolarHBondContact O-N 2.98Å; L43-L47 VanDerWaalsContact O-N 3.08Å; L43-L55 HydrophobicContact CD2-CD2 3.23Å; L43-L55 HydrophobicContact CG-CD2 3.89Å |
| 44 | M | 78.5 | Confident | 87.8 | Confident | 49 Ų | 49 | 90.4 Ų | 90.4 | 24% | 0.241 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -63.7 | -30.2 | 174 | -67.4 | -71.8 | 109 | 0 | 0 | 112.8 | R40 N41 Q52 | R40-M44 HydrophobicContact CG-CG 4.45Å; R40-M44 WeakPolarHBondContact O-CG 3.44Å; R40-M44 PolarHBondContact O-N 3.33Å; N41-M44 PolarHBondContact O-N 3.5Å; M44-Q52 HydrophobicContact CE-CB 4Å; M44-Q52 HydrophobicContact CE-CG 3.72Å; M44-Q52 PolarHBondContact O-NE2 2.86Å; M44-Q52 HydrophobicContact SD-CG 4.09Å; M44-Q52 PolarHBondContact SD-OE1 3.35Å |
| 45 | Q | 83.8 | Confident | 87.8 | Confident | 172 Ų | 172 | 84.9 Ų | 84.9 | 80% | 0.804 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -77.2 | -25.7 | 176.3 | -68.4 | -64.1 | -21 | 0 | 0 | 113.3 | N41 L43 | N41-Q45 WeakPolarHBondContact O-CG 3.03Å; N41-Q45 PolarHBondContact O-N 2.92Å; N41-Q45 VanDerWaalsContact O-N 3.15Å; L43-Q45 VanDerWaalsContact C-N 3.27Å; L43-Q45 PolarHBondContact O-N 2.89Å |
| 46 | K | 87.3 | Confident | 88.1 | Confident | 165 Ų | 165 | 84.5 Ų | 84.5 | 72% | 0.717 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -96.1 | -24.8 | -174.2 | -71 | 174.1 | -175.3 | 174.8 | 0 | 114.1 | D42 L43 | D42-K46 VanDerWaalsContact O-CG 3.29Å; D42-K46 WeakPolarHBondContact O-CG 3.25Å; D42-K46 PolarHBondContact O-N 3.37Å; L43-K46 PolarHBondContact O-N 3.25Å |
| 47 | L | 89.6 | Confident | 88.4 | Confident | 45 Ų | 45 | 78.9 Ų | 78.9 | 24% | 0.236 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -96.7 | 142.9 | -174.3 | -66.5 | 179.1 | 0 | 0 | 0 | 111.9 | L43 E51 Q52 L55 | L43-L47 HydrophobicContact CD1-CD1 3.85Å; L43-L47 HydrophobicContact CD1-CG 4.13Å; L43-L47 HydrophobicContact CG-CD1 3.66Å; L43-L47 HydrophobicContact CG-CG 4.3Å; L43-L47 WeakPolarHBondContact O-CB 3.47Å; L43-L47 WeakPolarHBondContact O-CG 3.36Å; L43-L47 PolarHBondContact O-N 2.98Å; L43-L47 VanDerWaalsContact O-N 3.08Å; L47-E51 HydrophobicContact CB-CB 3.99Å; L47-E51 HydrophobicContact CD2-CB 4.02Å; L47-E51 HydrophobicContact CG-CB 4.41Å; L47-Q52 HydrophobicContact CB-CG 3.68Å; L47-Q52 HydrophobicContact CD1-CG 4.47Å; L47-Q52 PolarHBondContact O-NE2 3.17Å; L47-L55 HydrophobicContact CD1-CD2 4.02Å |
| 48 | D | 91.3 | Very high | 88.5 | Confident | 57 Ų | 57 | 79.9 Ų | 79.9 | 31% | 0.305 | 40% | 0.401 | S | S | . | . | trans | -67.7 | 159.6 | 168.9 | 89.6 | 7 | 0 | 0 | 0 | 110.9 | L50 E51 Q52 K104 | D48-L50 PolarHBondContact O-N 3.2Å; D48-L50 WeakPolarHBondContact OD1-CA 3.11Å; D48-L50 WeakPolarHBondContact OD1-CB 3.3Å; D48-L50 PolarHBondContact OD1-N 3.25Å; D48-E51 PolarHBondContact N-OE2 2.91Å; D48-E51 PolarHBondContact O-N 3.5Å; D48-E51 VanDerWaalsContact O-N 3.11Å; D48-E51 WeakPolarHBondContact OD1-CB 3.47Å; D48-E51 VanDerWaalsContact OD1-CG 3.3Å; D48-E51 WeakPolarHBondContact OD1-CG 3.37Å; D48-E51 PolarHBondContact OD1-N 2.74Å; D48-Q52 WeakPolarHBondContact O-CG 3.37Å; D48-Q52 PolarHBondContact O-N 3.34Å; D48-K104 IonicContact OD2-NZ 2.71Å | ||
| 49 | P | 92 | Very high | 88.8 | Confident | 108 Ų | 108 | 77.6 Ų | 77.6 | 70% | 0.701 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -57.8 | -26.8 | -177.7 | -27.8 | 35.6 | 0 | 0 | 0 | 114.5 | A53 | P49-A53 PolarHBondContact O-N 3.46Å; P49-A53 VanDerWaalsContact O-N 3.16Å |
| 50 | L | 91.9 | Very high | 89.2 | Confident | 28 Ų | 28 | 78.1 Ų | 78.1 | 15% | 0.147 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -78.9 | -37.7 | 179.7 | -177.2 | 64.8 | 0 | 0 | 0 | 111.1 | D48 A53 K54 V97 I100 | D48-L50 PolarHBondContact O-N 3.2Å; D48-L50 WeakPolarHBondContact OD1-CA 3.11Å; D48-L50 WeakPolarHBondContact OD1-CB 3.3Å; D48-L50 PolarHBondContact OD1-N 3.25Å; L50-A53 PolarHBondContact O-N 2.89Å; L50-K54 WeakPolarHBondContact O-CG 3.34Å; L50-K54 PolarHBondContact O-N 3.22Å; L50-V97 HydrophobicContact CD1-CG1 3.95Å; L50-I100 HydrophobicContact CD1-CG2 4.18Å |
| 51 | E | 91.5 | Very high | 89.9 | Confident | 89 Ų | 89 | 75.6 Ų | 75.6 | 42% | 0.416 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 172.5 | -70.6 | 171.4 | 162.3 | 0 | 0 | 111.4 | L47 D48 K54 L55 | L47-E51 HydrophobicContact CB-CB 3.99Å; L47-E51 HydrophobicContact CD2-CB 4.02Å; L47-E51 HydrophobicContact CG-CB 4.41Å; D48-E51 PolarHBondContact N-OE2 2.91Å; D48-E51 PolarHBondContact O-N 3.5Å; D48-E51 VanDerWaalsContact O-N 3.11Å; D48-E51 WeakPolarHBondContact OD1-CB 3.47Å; D48-E51 VanDerWaalsContact OD1-CG 3.3Å; D48-E51 WeakPolarHBondContact OD1-CG 3.37Å; D48-E51 PolarHBondContact OD1-N 2.74Å; E51-K54 PolarHBondContact O-N 2.78Å; E51-L55 WeakPolarHBondContact O-CB 3.41Å; E51-L55 PolarHBondContact O-N 3.46Å |
| 52 | Q | 92.2 | Very high | 90.5 | Very high | 45 Ų | 45 | 72.1 Ų | 72.1 | 21% | 0.21 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.9 | -48.2 | 172 | -67.1 | 177.2 | 27.6 | 0 | 0 | 111.2 | M44 L47 D48 K54 L55 D56 | M44-Q52 HydrophobicContact CE-CB 4Å; M44-Q52 HydrophobicContact CE-CG 3.72Å; M44-Q52 PolarHBondContact O-NE2 2.86Å; M44-Q52 HydrophobicContact SD-CG 4.09Å; M44-Q52 PolarHBondContact SD-OE1 3.35Å; L47-Q52 HydrophobicContact CB-CG 3.68Å; L47-Q52 HydrophobicContact CD1-CG 4.47Å; L47-Q52 PolarHBondContact O-NE2 3.17Å; D48-Q52 WeakPolarHBondContact O-CG 3.37Å; D48-Q52 PolarHBondContact O-N 3.34Å; Q52-K54 VanDerWaalsContact C-N 3.31Å; Q52-K54 PolarHBondContact O-N 2.81Å; Q52-L55 WeakPolarHBondContact O-CB 3.35Å; Q52-L55 PolarHBondContact O-N 3.24Å; Q52-L55 VanDerWaalsContact O-N 3.16Å; Q52-D56 PolarHBondContact O-N 3.03Å |
| 53 | A | 93.5 | Very high | 91.1 | Very high | 34 Ų | 34 | 73.1 Ų | 73.1 | 28% | 0.281 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.4 | -38 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P49 L50 L57 V97 | P49-A53 PolarHBondContact O-N 3.46Å; P49-A53 VanDerWaalsContact O-N 3.16Å; L50-A53 PolarHBondContact O-N 2.89Å; A53-L57 WeakPolarHBondContact O-CB 3.49Å; A53-L57 WeakPolarHBondContact O-CG 3.35Å; A53-L57 PolarHBondContact O-N 3.32Å; A53-V97 HydrophobicContact CB-CG2 4.23Å |
| 54 | K | 93.4 | Very high | 91.9 | Very high | 89 Ų | 89 | 72.7 Ų | 72.7 | 39% | 0.387 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.2 | -45 | 174.1 | -74.1 | 172.2 | -175.7 | 174.1 | 0 | 111.5 | L50 E51 Q52 L57 M58 V97 | L50-K54 WeakPolarHBondContact O-CG 3.34Å; L50-K54 PolarHBondContact O-N 3.22Å; E51-K54 PolarHBondContact O-N 2.78Å; Q52-K54 VanDerWaalsContact C-N 3.31Å; Q52-K54 PolarHBondContact O-N 2.81Å; K54-L57 PolarHBondContact O-N 2.91Å; K54-M58 WeakPolarHBondContact O-CB 3.49Å; K54-M58 WeakPolarHBondContact O-CG 3.22Å; K54-M58 PolarHBondContact O-N 2.95Å; K54-V97 HydrophobicContact CG-CG1 3.72Å |
| 55 | L | 92.1 | Very high | 92.7 | Very high | 38 Ų | 38 | 72.2 Ų | 72.2 | 20% | 0.199 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 179.4 | -178 | 74.8 | 0 | 0 | 0 | 111.8 | L35 L43 L47 E51 Q52 L57 M58 S59 | L35-L55 HydrophobicContact CD1-CD1 4.27Å; L43-L55 HydrophobicContact CD2-CD2 3.23Å; L43-L55 HydrophobicContact CG-CD2 3.89Å; L47-L55 HydrophobicContact CD1-CD2 4.02Å; E51-L55 WeakPolarHBondContact O-CB 3.41Å; E51-L55 PolarHBondContact O-N 3.46Å; Q52-L55 WeakPolarHBondContact O-CB 3.35Å; Q52-L55 PolarHBondContact O-N 3.24Å; Q52-L55 VanDerWaalsContact O-N 3.16Å; L55-L57 VanDerWaalsContact C-N 3.32Å; L55-L57 PolarHBondContact O-N 3.49Å; L55-M58 PolarHBondContact O-N 3.42Å; L55-S59 WeakPolarHBondContact O-CB 3.2Å; L55-S59 PolarHBondContact O-N 3.42Å; L55-S59 PolarHBondContact O-OG 3.43Å |
| 56 | D | 92.7 | Very high | 93.2 | Very high | 61 Ų | 61 | 66.9 Ų | 66.9 | 33% | 0.326 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 177.8 | -77.3 | -27.2 | 0 | 0 | 0 | 110.8 | R40 Q52 S59 V60 | R40-D56 IonicContact NH2-OD1 3.9Å; R40-D56 PolarHBondContact NH2-OD1 3.38Å; Q52-D56 PolarHBondContact O-N 3.03Å; D56-S59 PolarHBondContact O-N 2.96Å; D56-V60 PolarHBondContact O-N 3.31Å |
| 57 | L | 95.6 | Very high | 93.7 | Very high | 26 Ų | 26 | 62.9 Ų | 62.9 | 14% | 0.136 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 174.8 | -82.6 | 168.7 | 0 | 0 | 0 | 112.8 | A53 K54 L55 S59 Y61 I90 Y93 M94 V97 | A53-L57 WeakPolarHBondContact O-CB 3.49Å; A53-L57 WeakPolarHBondContact O-CG 3.35Å; A53-L57 PolarHBondContact O-N 3.32Å; K54-L57 PolarHBondContact O-N 2.91Å; L55-L57 VanDerWaalsContact C-N 3.32Å; L55-L57 PolarHBondContact O-N 3.49Å; L57-S59 VanDerWaalsContact C-N 3.31Å; L57-Y61 VanDerWaalsContact O-CB 3.22Å; L57-Y61 WeakPolarHBondContact O-CB 3.42Å; L57-Y61 PolarHBondContact O-N 3.45Å; L57-I90 HydrophobicContact CD2-CG2 4.35Å; L57-Y93 VanDerWaalsContact CD2-CB 3.49Å; L57-Y93 HydrophobicContact CD2-CG 4.49Å; L57-M94 HydrophobicContact CD1-CG 4.23Å; L57-M94 HydrophobicContact CD2-CG 4.4Å; L57-V97 HydrophobicContact CD1-CB 4.2Å; L57-V97 HydrophobicContact CD1-CG2 3.54Å |
| 58 | M | 93.1 | Very high | 94 | Very high | 119 Ų | 119 | 64.1 Ų | 64.1 | 59% | 0.586 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.6 | -42.1 | 174.4 | -75.4 | -178.2 | 68.5 | 0 | 0 | 111.1 | K54 L55 Y61 T62 | K54-M58 WeakPolarHBondContact O-CB 3.49Å; K54-M58 WeakPolarHBondContact O-CG 3.22Å; K54-M58 PolarHBondContact O-N 2.95Å; L55-M58 PolarHBondContact O-N 3.42Å; M58-Y61 PolarHBondContact O-N 3.11Å; M58-T62 WeakPolarHBondContact O-CB 3.35Å; M58-T62 PolarHBondContact O-N 2.88Å; M58-T62 PolarHBondContact O-OG1 3.07Å |
| 59 | S | 93 | Very high | 94.2 | Very high | 48 Ų | 48 | 64.3 Ų | 64.3 | 34% | 0.336 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.4 | -48.4 | 180 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | L55 D56 L57 T62 L63 | L55-S59 WeakPolarHBondContact O-CB 3.2Å; L55-S59 PolarHBondContact O-N 3.42Å; L55-S59 PolarHBondContact O-OG 3.43Å; D56-S59 PolarHBondContact O-N 2.96Å; L57-S59 VanDerWaalsContact C-N 3.31Å; S59-T62 PolarHBondContact O-N 3.38Å; S59-L63 PolarHBondContact O-N 3.47Å |
| 60 | V | 95.6 | Very high | 94.4 | Very high | 60 Ų | 60 | 64.9 Ų | 64.9 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 176.6 | 166.6 | 0 | 0 | 0 | 0 | 111.4 | D56 L63 N64 I90 | D56-V60 PolarHBondContact O-N 3.31Å; V60-L63 PolarHBondContact O-N 3.3Å; V60-N64 PolarHBondContact O-N 2.87Å; V60-N64 PolarHBondContact O-ND2 3.2Å; V60-I90 HydrophobicContact CG1-CD1 3.59Å; V60-I90 HydrophobicContact CG1-CG1 3.68Å |
| 61 | Y | 96.1 | Very high | 94.7 | Very high | 113 Ų | 113 | 63.9 Ų | 63.9 | 44% | 0.443 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 176.3 | -179.2 | -107.6 | 0 | 0 | 0 | 112.2 | L57 M58 N64 S65 L87 I90 M94 | L57-Y61 VanDerWaalsContact O-CB 3.22Å; L57-Y61 WeakPolarHBondContact O-CB 3.42Å; L57-Y61 PolarHBondContact O-N 3.45Å; M58-Y61 PolarHBondContact O-N 3.11Å; Y61-N64 PolarHBondContact O-N 3.04Å; Y61-S65 VanDerWaalsContact O-CB 3.3Å; Y61-S65 WeakPolarHBondContact O-CB 3.49Å; Y61-S65 PolarHBondContact O-N 2.87Å; Y61-S65 PolarHBondContact O-OG 3.43Å; Y61-L87 HydrophobicContact CD2-CD2 4.13Å; Y61-L87 HydrophobicContact CE2-CD2 4.05Å; Y61-I90 HydrophobicContact CD2-CG2 4.05Å; Y61-I90 HydrophobicContact CG-CG2 4.49Å; Y61-M94 HydrophobicContact CD1-CE 4.38Å; Y61-M94 HydrophobicContact CD2-CE 4.13Å; Y61-M94 HydrophobicContact CG-CE 3.81Å |
| 62 | T | 94.7 | Very high | 94.9 | Very high | 51 Ų | 51 | 63.6 Ų | 63.6 | 31% | 0.313 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.7 | -48.1 | 176.8 | -62 | 0 | 0 | 0 | 0 | 111 | M58 S59 N64 S65 L66 | M58-T62 WeakPolarHBondContact O-CB 3.35Å; M58-T62 PolarHBondContact O-N 2.88Å; M58-T62 PolarHBondContact O-OG1 3.07Å; S59-T62 PolarHBondContact O-N 3.38Å; T62-N64 PolarHBondContact O-N 3.26Å; T62-S65 PolarHBondContact O-N 2.88Å; T62-L66 HydrophobicContact CG2-CD1 4.09Å; T62-L66 HydrophobicContact CG2-CG 4.47Å; T62-L66 WeakPolarHBondContact O-CG 3.4Å; T62-L66 PolarHBondContact O-N 3.04Å |
| 63 | L | 95.1 | Very high | 94.9 | Very high | 113 Ų | 113 | 65.7 Ų | 65.7 | 59% | 0.592 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -58 | -48.4 | 178.4 | -174.5 | 157.3 | 0 | 0 | 0 | 111.7 | S59 V60 S65 L66 F67 | S59-L63 PolarHBondContact O-N 3.47Å; V60-L63 PolarHBondContact O-N 3.3Å; L63-S65 VanDerWaalsContact C-N 3.33Å; L63-S65 PolarHBondContact O-N 3.33Å; L63-L66 PolarHBondContact O-N 3.37Å; L63-F67 WeakPolarHBondContact O-CB 3.4Å; L63-F67 PolarHBondContact O-N 3Å |
| 64 | N | 96.4 | Very high | 95 | Very high | 16 Ų | 16 | 70.2 Ų | 70.2 | 9% | 0.086 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.6 | -32.8 | -179.5 | -77.5 | -87.4 | 0 | 0 | 0 | 112.3 | V60 Y61 T62 F67 W68 I83 E86 L87 I90 | V60-N64 PolarHBondContact O-N 2.87Å; V60-N64 PolarHBondContact O-ND2 3.2Å; Y61-N64 PolarHBondContact O-N 3.04Å; T62-N64 PolarHBondContact O-N 3.26Å; N64-F67 PolarHBondContact O-N 3.33Å; N64-W68 WeakPolarHBondContact O-CB 3.47Å; N64-W68 PolarHBondContact O-N 2.93Å; N64-I83 HydrophobicContact CB-CD1 3.78Å; N64-I83 WeakPolarHBondContact OD1-CD1 3.42Å; N64-E86 WeakPolarHBondContact OD1-CB 3.38Å; N64-L87 HydrophobicContact CB-CD2 4.04Å; N64-I90 HydrophobicContact CB-CD1 3.97Å |
| 65 | S | 95.3 | Very high | 95.1 | Very high | 39 Ų | 39 | 69.4 Ų | 69.4 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69 | -40.9 | 175.5 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | Y61 T62 L63 F67 W68 M69 | Y61-S65 VanDerWaalsContact O-CB 3.3Å; Y61-S65 WeakPolarHBondContact O-CB 3.49Å; Y61-S65 PolarHBondContact O-N 2.87Å; Y61-S65 PolarHBondContact O-OG 3.43Å; T62-S65 PolarHBondContact O-N 2.88Å; L63-S65 VanDerWaalsContact C-N 3.33Å; L63-S65 PolarHBondContact O-N 3.33Å; S65-F67 VanDerWaalsContact C-N 3.33Å; S65-W68 WeakPolarHBondContact O-CB 3.02Å; S65-W68 PolarHBondContact O-N 2.98Å; S65-M69 PolarHBondContact O-N 3.28Å |
| 66 | L | 95.4 | Very high | 95.3 | Very high | 61 Ų | 61 | 71.6 Ų | 71.6 | 32% | 0.319 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.7 | -39.3 | 173.3 | -70.6 | 174.1 | 0 | 0 | 0 | 111.4 | V28 T62 L63 M69 Y70 | V28-L66 HydrophobicContact CG1-CD2 4.25Å; T62-L66 HydrophobicContact CG2-CD1 4.09Å; T62-L66 HydrophobicContact CG2-CG 4.47Å; T62-L66 WeakPolarHBondContact O-CG 3.4Å; T62-L66 PolarHBondContact O-N 3.04Å; L63-L66 PolarHBondContact O-N 3.37Å; L66-M69 HydrophobicContact CD2-CE 3.78Å; L66-M69 WeakPolarHBondContact O-CB 3.41Å; L66-M69 PolarHBondContact O-N 2.88Å; L66-Y70 PolarHBondContact O-N 3.39Å |
| 67 | F | 96.7 | Very high | 95.4 | Very high | 80 Ų | 80 | 71.9 Ų | 71.9 | 35% | 0.351 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.7 | -39 | 175.2 | -172.3 | -105.3 | 0 | 0 | 0 | 112.3 | L63 N64 S65 M69 Y70 L71 H81 I83 | L63-F67 WeakPolarHBondContact O-CB 3.4Å; L63-F67 PolarHBondContact O-N 3Å; N64-F67 PolarHBondContact O-N 3.33Å; S65-F67 VanDerWaalsContact C-N 3.33Å; F67-M69 VanDerWaalsContact C-N 3.34Å; F67-M69 PolarHBondContact O-N 2.95Å; F67-Y70 HydrophobicContact CD2-CD1 4.29Å; F67-Y70 HydrophobicContact CE2-CD1 4.13Å; F67-Y70 WeakPolarHBondContact O-CB 3.3Å; F67-Y70 PolarHBondContact O-N 3.24Å; F67-L71 HydrophobicContact CD1-CD1 4.07Å; F67-L71 HydrophobicContact CD1-CG 4.37Å; F67-L71 HydrophobicContact CE1-CD1 3.73Å; F67-L71 HydrophobicContact CE1-CD2 4.24Å; F67-L71 HydrophobicContact CE1-CG 4.04Å; F67-L71 HydrophobicContact CZ-CD1 4.42Å; F67-L71 HydrophobicContact CZ-CD2 4.1Å; F67-L71 HydrophobicContact CZ-CG 4.3Å; F67-L71 WeakPolarHBondContact O-CG 3.41Å; F67-L71 PolarHBondContact O-N 3.49Å; F67-H81 AromaticContact CE1-CE1 3.57Å; F67-I83 HydrophobicContact CD1-CB 4.3Å; F67-I83 HydrophobicContact CD1-CD1 3.73Å; F67-I83 HydrophobicContact CD1-CG1 3.97Å |
| 68 | W | 96.7 | Very high | 95.3 | Very high | 71 Ų | 71 | 71.1 Ų | 71.1 | 27% | 0.269 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -56.8 | -48.7 | 171 | -178.2 | -70.7 | 0 | 0 | 0 | 111.2 | N64 S65 Y70 L71 V72 P78 R79 I83 K84 L87 | N64-W68 WeakPolarHBondContact O-CB 3.47Å; N64-W68 PolarHBondContact O-N 2.93Å; S65-W68 WeakPolarHBondContact O-CB 3.02Å; S65-W68 PolarHBondContact O-N 2.98Å; W68-Y70 VanDerWaalsContact C-N 3.33Å; W68-Y70 PolarHBondContact O-N 3.43Å; W68-L71 WeakPolarHBondContact O-CB 3.42Å; W68-L71 PolarHBondContact O-N 2.86Å; W68-V72 WeakPolarHBondContact O-CG2 3.48Å; W68-V72 PolarHBondContact O-N 3.29Å; W68-V72 VanDerWaalsContact O-N 3.11Å; W68-P78 HydrophobicContact CD2-CB 3.33Å; W68-P78 HydrophobicContact CD2-CG 3.91Å; W68-P78 HydrophobicContact CE3-CB 3.53Å; W68-P78 HydrophobicContact CG-CB 3.87Å; W68-P78 HydrophobicContact CG-CG 4.08Å; W68-P78 HydrophobicContact CH2-CB 3.81Å; W68-P78 HydrophobicContact CZ2-CB 3.64Å; W68-P78 HydrophobicContact CZ2-CG 4.09Å; W68-P78 HydrophobicContact CZ3-CB 3.76Å; W68-R79 HydrophobicContact CH2-CG 3.88Å; W68-R79 HydrophobicContact CZ2-CG 4.12Å; W68-I83 HydrophobicContact CB-CG1 4.45Å; W68-I83 HydrophobicContact CE3-CG1 4.19Å; W68-I83 HydrophobicContact CE3-CG2 3.63Å; W68-I83 HydrophobicContact CZ3-CG2 3.95Å; W68-K84 HydrophobicContact CZ3-CB 4.31Å; W68-L87 HydrophobicContact CD2-CD1 4.23Å; W68-L87 HydrophobicContact CE3-CD1 3.39Å; W68-L87 HydrophobicContact CZ3-CD1 3.68Å |
| 69 | M | 95.4 | Very high | 95.3 | Very high | 61 Ų | 61 | 74.1 Ų | 74.1 | 30% | 0.3 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.5 | -42.8 | 176.9 | -175.5 | 178.7 | 73.3 | 0 | 0 | 111.7 | F21 V25 S65 L66 F67 L71 V72 T73 | F21-M69 HydrophobicContact CE2-CG 4.04Å; F21-M69 HydrophobicContact CE2-SD 3.49Å; F21-M69 WeakPolarHBondContact CE2-SD 3.49Å; F21-M69 HydrophobicContact CZ-CE 4.29Å; F21-M69 HydrophobicContact CZ-CG 4.18Å; F21-M69 HydrophobicContact CZ-SD 3.79Å; V25-M69 HydrophobicContact CG2-CE 4.11Å; V25-M69 HydrophobicContact CG2-SD 4.34Å; S65-M69 PolarHBondContact O-N 3.28Å; L66-M69 HydrophobicContact CD2-CE 3.78Å; L66-M69 WeakPolarHBondContact O-CB 3.41Å; L66-M69 PolarHBondContact O-N 2.88Å; F67-M69 VanDerWaalsContact C-N 3.34Å; F67-M69 PolarHBondContact O-N 2.95Å; M69-L71 VanDerWaalsContact C-N 3.34Å; M69-L71 PolarHBondContact O-N 2.88Å; M69-V72 WeakPolarHBondContact O-CB 3.32Å; M69-V72 PolarHBondContact O-N 3.43Å; M69-V72 VanDerWaalsContact O-N 3.17Å; M69-T73 WeakPolarHBondContact O-CG2 3.4Å; M69-T73 PolarHBondContact O-N 3.13Å |
| 70 | Y | 96.4 | Very high | 95.3 | Very high | 121 Ų | 121 | 79.7 Ų | 79.7 | 48% | 0.475 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.2 | -40.9 | 174.5 | 171.5 | -97.3 | 0 | 0 | 0 | 112.9 | L66 F67 W68 V72 T73 K74 | L66-Y70 PolarHBondContact O-N 3.39Å; F67-Y70 HydrophobicContact CD2-CD1 4.29Å; F67-Y70 HydrophobicContact CE2-CD1 4.13Å; F67-Y70 WeakPolarHBondContact O-CB 3.3Å; F67-Y70 PolarHBondContact O-N 3.24Å; W68-Y70 VanDerWaalsContact C-N 3.33Å; W68-Y70 PolarHBondContact O-N 3.43Å; Y70-V72 VanDerWaalsContact C-N 3.32Å; Y70-V72 PolarHBondContact O-N 2.93Å; Y70-T73 PolarHBondContact O-N 3.43Å; Y70-T73 PolarHBondContact O-OG1 3.04Å; Y70-K74 HydrophobicContact CE1-CG 4.13Å; Y70-K74 HydrophobicContact CE2-CG 4.24Å; Y70-K74 WeakPolarHBondContact O-CG 3.39Å; Y70-K74 PolarHBondContact O-N 3.29Å; Y70-K74 VanDerWaalsContact O-N 3.16Å; Y70-K74 WeakPolarHBondContact OH-CE 3.37Å |
| 71 | L | 97.3 | Very high | 95.3 | Very high | 7 Ų | 7 | 80.4 Ų | 80.4 | 4% | 0.037 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 175.6 | -68.1 | 173.7 | 0 | 0 | 0 | 111.5 | F67 W68 M69 T73 K74 G75 I76 P78 H81 I83 | F67-L71 HydrophobicContact CD1-CD1 4.07Å; F67-L71 HydrophobicContact CD1-CG 4.37Å; F67-L71 HydrophobicContact CE1-CD1 3.73Å; F67-L71 HydrophobicContact CE1-CD2 4.24Å; F67-L71 HydrophobicContact CE1-CG 4.04Å; F67-L71 HydrophobicContact CZ-CD1 4.42Å; F67-L71 HydrophobicContact CZ-CD2 4.1Å; F67-L71 HydrophobicContact CZ-CG 4.3Å; F67-L71 WeakPolarHBondContact O-CG 3.41Å; F67-L71 PolarHBondContact O-N 3.49Å; W68-L71 WeakPolarHBondContact O-CB 3.42Å; W68-L71 PolarHBondContact O-N 2.86Å; M69-L71 VanDerWaalsContact C-N 3.34Å; M69-L71 PolarHBondContact O-N 2.88Å; L71-T73 VanDerWaalsContact C-N 3.33Å; L71-T73 PolarHBondContact O-N 2.95Å; L71-K74 CarbonylContact O-C 3.55Å; L71-K74 PolarHBondContact O-N 3.49Å; L71-K74 VanDerWaalsContact O-N 3.1Å; L71-G75 PolarHBondContact O-N 2.88Å; L71-I76 CarbonylContact C-O 3.46Å; L71-I76 HydrophobicContact CB-CB 4.27Å; L71-I76 HydrophobicContact CD2-CB 4.29Å; L71-I76 HydrophobicContact CD2-CD1 4.02Å; L71-I76 HydrophobicContact CD2-CG2 4.23Å; L71-I76 PolarHBondContact O-N 3.38Å; L71-P78 HydrophobicContact CB-CB 4.39Å; L71-P78 HydrophobicContact CB-CG 4.02Å; L71-P78 HydrophobicContact CD1-CB 4.18Å; L71-H81 HydrophobicContact CD1-CB 3.92Å; L71-I83 HydrophobicContact CD1-CB 4.32Å; L71-I83 HydrophobicContact CD1-CG2 3.81Å |
| 72 | V | 95.3 | Very high | 95.2 | Very high | 83 Ų | 83 | 76.8 Ų | 76.8 | 50% | 0.503 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 175.7 | 177.8 | 0 | 0 | 0 | 0 | 111 | W68 M69 Y70 K74 G75 P78 | W68-V72 WeakPolarHBondContact O-CG2 3.48Å; W68-V72 PolarHBondContact O-N 3.29Å; W68-V72 VanDerWaalsContact O-N 3.11Å; M69-V72 WeakPolarHBondContact O-CB 3.32Å; M69-V72 PolarHBondContact O-N 3.43Å; M69-V72 VanDerWaalsContact O-N 3.17Å; Y70-V72 VanDerWaalsContact C-N 3.32Å; Y70-V72 PolarHBondContact O-N 2.93Å; V72-K74 PolarHBondContact O-N 3.17Å; V72-G75 PolarHBondContact O-N 3.46Å; V72-P78 HydrophobicContact CG2-CG 3.51Å |
| 73 | T | 93.4 | Very high | 95.3 | Very high | 89 Ų | 89 | 74.6 Ų | 74.6 | 55% | 0.546 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -69 | -19.5 | 178.2 | 65.4 | 0 | 0 | 0 | 0 | 113.4 | F21 M69 Y70 L71 G75 | F21-T73 HydrophobicContact CZ-CG2 4.5Å; M69-T73 WeakPolarHBondContact O-CG2 3.4Å; M69-T73 PolarHBondContact O-N 3.13Å; Y70-T73 PolarHBondContact O-N 3.43Å; Y70-T73 PolarHBondContact O-OG1 3.04Å; L71-T73 VanDerWaalsContact C-N 3.33Å; L71-T73 PolarHBondContact O-N 2.95Å; T73-G75 VanDerWaalsContact C-N 3.33Å |
| 74 | K | 95.7 | Very high | 95.2 | Very high | 129 Ų | 129 | 74.1 Ų | 74.1 | 56% | 0.561 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 1.7 | 170.6 | -64.2 | -59.6 | -176.8 | -175.9 | 0 | 113.7 | Y70 L71 V72 I76 | Y70-K74 HydrophobicContact CE1-CG 4.13Å; Y70-K74 HydrophobicContact CE2-CG 4.24Å; Y70-K74 WeakPolarHBondContact O-CG 3.39Å; Y70-K74 PolarHBondContact O-N 3.29Å; Y70-K74 VanDerWaalsContact O-N 3.16Å; Y70-K74 WeakPolarHBondContact OH-CE 3.37Å; L71-K74 CarbonylContact O-C 3.55Å; L71-K74 PolarHBondContact O-N 3.49Å; L71-K74 VanDerWaalsContact O-N 3.1Å; V72-K74 PolarHBondContact O-N 3.17Å; K74-I76 HydrophobicContact CB-CD1 4.07Å; K74-I76 HydrophobicContact CB-CG1 4.17Å; K74-I76 PolarHBondContact O-N 3.29Å |
| 75 | G | 95 | Very high | 95.2 | Very high | 72 Ų | 72 | 80.4 Ų | 80.4 | 74% | 0.742 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | 14.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L71 V72 T73 | L71-G75 PolarHBondContact O-N 2.88Å; V72-G75 PolarHBondContact O-N 3.46Å; T73-G75 VanDerWaalsContact C-N 3.33Å |
| 76 | I | 96.2 | Very high | 95.3 | Very high | 83 Ų | 83 | 81.5 Ų | 81.5 | 43% | 0.426 | 41% | 0.409 | S | S | . | . | trans | -90.2 | 124.5 | 178.2 | -60.1 | 170.7 | 0 | 0 | 0 | 108.2 | L71 K74 P78 | L71-I76 CarbonylContact C-O 3.46Å; L71-I76 HydrophobicContact CB-CB 4.27Å; L71-I76 HydrophobicContact CD2-CB 4.29Å; L71-I76 HydrophobicContact CD2-CD1 4.02Å; L71-I76 HydrophobicContact CD2-CG2 4.23Å; L71-I76 PolarHBondContact O-N 3.38Å; K74-I76 HydrophobicContact CB-CD1 4.07Å; K74-I76 HydrophobicContact CB-CG1 4.17Å; K74-I76 PolarHBondContact O-N 3.29Å; I76-P78 WeakPolarHBondContact O-CD 3.39Å; I76-P78 VanDerWaalsContact O-N 3.16Å | ||
| 77 | N | 94.8 | Very high | 95.3 | Very high | 68 Ų | 68 | 80.2 Ų | 80.2 | 36% | 0.364 | 40% | 0.402 | S | S | . | . | trans | -66.9 | 110.2 | 176.3 | -176 | -2.1 | 0 | 0 | 0 | 110.5 | R79 E80 H81 | N77-R79 PolarHBondContact O-N 2.91Å; N77-R79 VanDerWaalsContact O-N 3.15Å; N77-R79 WeakPolarHBondContact OD1-CB 3.45Å; N77-R79 PolarHBondContact OD1-N 2.87Å; N77-R79 VanDerWaalsContact OD1-N 3.1Å; N77-E80 PolarHBondContact ND2-OE1 3.37Å; N77-E80 PolarHBondContact O-N 3.14Å; N77-H81 PolarHBondContact O-N 2.81Å | ||
| 78 | P | 94.1 | Very high | 95.3 | Very high | 9 Ų | 9 | 80.1 Ų | 80.1 | 6% | 0.058 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -14.6 | -174.6 | -14.3 | 30 | 0 | 0 | 0 | 112.9 | W68 L71 V72 I76 E80 H81 I83 | W68-P78 HydrophobicContact CD2-CB 3.33Å; W68-P78 HydrophobicContact CD2-CG 3.91Å; W68-P78 HydrophobicContact CE3-CB 3.53Å; W68-P78 HydrophobicContact CG-CB 3.87Å; W68-P78 HydrophobicContact CG-CG 4.08Å; W68-P78 HydrophobicContact CH2-CB 3.81Å; W68-P78 HydrophobicContact CZ2-CB 3.64Å; W68-P78 HydrophobicContact CZ2-CG 4.09Å; W68-P78 HydrophobicContact CZ3-CB 3.76Å; L71-P78 HydrophobicContact CB-CB 4.39Å; L71-P78 HydrophobicContact CB-CG 4.02Å; L71-P78 HydrophobicContact CD1-CB 4.18Å; V72-P78 HydrophobicContact CG2-CG 3.51Å; I76-P78 WeakPolarHBondContact O-CD 3.39Å; I76-P78 VanDerWaalsContact O-N 3.16Å; P78-E80 VanDerWaalsContact C-N 3.26Å; P78-E80 PolarHBondContact O-N 2.93Å; P78-H81 PolarHBondContact O-N 3.28Å; P78-I83 HydrophobicContact CB-CG2 3.92Å; P78-I83 VanDerWaalsContact O-CG2 3.29Å; P78-I83 WeakPolarHBondContact O-CG2 3.46Å |
| 79 | R | 92.3 | Very high | 95.3 | Very high | 182 Ų | 182 | 82.5 Ų | 82.5 | 69% | 0.687 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -25 | 175.7 | -63.5 | -178.6 | 174.1 | -165 | 0.5 | 112.8 | W68 N77 K84 | W68-R79 HydrophobicContact CH2-CG 3.88Å; W68-R79 HydrophobicContact CZ2-CG 4.12Å; N77-R79 PolarHBondContact O-N 2.91Å; N77-R79 VanDerWaalsContact O-N 3.15Å; N77-R79 WeakPolarHBondContact OD1-CB 3.45Å; N77-R79 PolarHBondContact OD1-N 2.87Å; N77-R79 VanDerWaalsContact OD1-N 3.1Å; R79-K84 WeakPolarHBondContact O-CD 3.49Å |
| 80 | E | 93.6 | Very high | 95.4 | Very high | 166 Ų | 166 | 79.8 Ų | 79.8 | 78% | 0.776 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -12.3 | 176.4 | -68.7 | 167.3 | -152.5 | 0 | 0 | 111.7 | N77 P78 | N77-E80 PolarHBondContact ND2-OE1 3.37Å; N77-E80 PolarHBondContact O-N 3.14Å; P78-E80 VanDerWaalsContact C-N 3.26Å; P78-E80 PolarHBondContact O-N 2.93Å |
| 81 | H | 94.9 | Very high | 95.4 | Very high | 74 Ų | 74 | 80.4 Ų | 80.4 | 34% | 0.343 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -85.9 | 152.6 | 176.9 | -171.4 | -85.8 | 0 | 0 | 0 | 111.7 | F67 L71 N77 P78 I83 K84 | F67-H81 AromaticContact CE1-CE1 3.57Å; L71-H81 HydrophobicContact CD1-CB 3.92Å; N77-H81 PolarHBondContact O-N 2.81Å; P78-H81 PolarHBondContact O-N 3.28Å; H81-I83 HydrophobicContact CB-CG2 3.93Å; H81-I83 WeakPolarHBondContact ND1-CB 3.29Å; H81-I83 PolarHBondContact ND1-N 2.99Å; H81-I83 VanDerWaalsContact ND1-N 3.13Å; H81-I83 PolarHBondContact O-N 2.88Å; H81-K84 PolarHBondContact O-N 3.16Å |
| 82 | G | 95.1 | Very high | 95.4 | Very high | 37 Ų | 37 | 84.4 Ų | 84.4 | 38% | 0.381 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -13.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | K84 Q85 E86 | G82-K84 PolarHBondContact O-N 2.83Å; G82-Q85 WeakPolarHBondContact O-CB 3.21Å; G82-Q85 PolarHBondContact O-N 3.43Å; G82-E86 PolarHBondContact O-N 3.09Å |
| 83 | I | 95.5 | Very high | 95.5 | Very high | 5 Ų | 5 | 86.7 Ų | 86.7 | 3% | 0.026 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -59.3 | -30.4 | 176.6 | -169.7 | 56.9 | 0 | 0 | 0 | 112.4 | N64 F67 W68 L71 P78 H81 Q85 E86 L87 | N64-I83 HydrophobicContact CB-CD1 3.78Å; N64-I83 WeakPolarHBondContact OD1-CD1 3.42Å; F67-I83 HydrophobicContact CD1-CB 4.3Å; F67-I83 HydrophobicContact CD1-CD1 3.73Å; F67-I83 HydrophobicContact CD1-CG1 3.97Å; W68-I83 HydrophobicContact CB-CG1 4.45Å; W68-I83 HydrophobicContact CE3-CG1 4.19Å; W68-I83 HydrophobicContact CE3-CG2 3.63Å; W68-I83 HydrophobicContact CZ3-CG2 3.95Å; L71-I83 HydrophobicContact CD1-CB 4.32Å; L71-I83 HydrophobicContact CD1-CG2 3.81Å; P78-I83 HydrophobicContact CB-CG2 3.92Å; P78-I83 VanDerWaalsContact O-CG2 3.29Å; P78-I83 WeakPolarHBondContact O-CG2 3.46Å; H81-I83 HydrophobicContact CB-CG2 3.93Å; H81-I83 WeakPolarHBondContact ND1-CB 3.29Å; H81-I83 PolarHBondContact ND1-N 2.99Å; H81-I83 VanDerWaalsContact ND1-N 3.13Å; H81-I83 PolarHBondContact O-N 2.88Å; I83-Q85 VanDerWaalsContact C-N 3.27Å; I83-Q85 PolarHBondContact O-N 2.91Å; I83-E86 HydrophobicContact CD1-CB 4.31Å; I83-E86 PolarHBondContact O-N 3.31Å; I83-L87 PolarHBondContact O-N 3.42Å |
| 84 | K | 94 | Very high | 95.6 | Very high | 104 Ų | 104 | 85.7 Ų | 85.7 | 45% | 0.452 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 174.6 | -179 | -179.9 | 171.4 | -174.1 | 0 | 111.4 | W68 R79 H81 G82 L87 E88 | W68-K84 HydrophobicContact CZ3-CB 4.31Å; R79-K84 WeakPolarHBondContact O-CD 3.49Å; H81-K84 PolarHBondContact O-N 3.16Å; G82-K84 PolarHBondContact O-N 2.83Å; K84-L87 PolarHBondContact O-N 3.06Å; K84-E88 WeakPolarHBondContact O-CG 3.38Å; K84-E88 PolarHBondContact O-N 3.13Å |
| 85 | Q | 96.5 | Very high | 95.7 | Very high | 148 Ų | 148 | 83.6 Ų | 83.6 | 69% | 0.692 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -67.8 | -38.6 | 178.8 | -59.1 | 177.6 | 13.6 | 0 | 0 | 111.1 | G82 I83 L87 E88 R89 | G82-Q85 WeakPolarHBondContact O-CB 3.21Å; G82-Q85 PolarHBondContact O-N 3.43Å; I83-Q85 VanDerWaalsContact C-N 3.27Å; I83-Q85 PolarHBondContact O-N 2.91Å; Q85-L87 PolarHBondContact O-N 3.46Å; Q85-E88 PolarHBondContact O-N 3.4Å; Q85-R89 WeakPolarHBondContact O-CB 3.37Å; Q85-R89 PolarHBondContact O-N 2.86Å |
| 86 | E | 96.3 | Very high | 95.7 | Very high | 61 Ų | 61 | 86.1 Ų | 86.1 | 29% | 0.285 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 174.6 | -66.7 | -60.5 | 123.2 | 0 | 0 | 111.7 | N64 G82 I83 E88 R89 I90 | N64-E86 WeakPolarHBondContact OD1-CB 3.38Å; G82-E86 PolarHBondContact O-N 3.09Å; I83-E86 HydrophobicContact CD1-CB 4.31Å; I83-E86 PolarHBondContact O-N 3.31Å; E86-E88 PolarHBondContact O-N 2.75Å; E86-R89 VanDerWaalsContact CD-NH1 3.28Å; E86-R89 WeakPolarHBondContact O-CB 3.5Å; E86-R89 PolarHBondContact O-N 3.27Å; E86-R89 IonicContact OE1-CZ 3.9Å; E86-R89 IonicContact OE1-NH1 3.08Å; E86-R89 PolarHBondContact OE1-NH1 2.96Å; E86-R89 IonicContact OE2-CZ 3.22Å; E86-R89 IonicContact OE2-NE 3.55Å; E86-R89 IonicContact OE2-NH1 4Å; E86-R89 PolarHBondContact OE2-NH1 3.06Å; E86-R89 IonicContact OE2-NH2 2.78Å; E86-R89 PolarHBondContact OE2-NH2 3.31Å; E86-I90 WeakPolarHBondContact O-CD1 3.35Å; E86-I90 WeakPolarHBondContact O-CG1 3.42Å; E86-I90 PolarHBondContact O-N 3.16Å |
| 87 | L | 95.7 | Very high | 95.7 | Very high | 34 Ų | 34 | 83.1 Ų | 83.1 | 18% | 0.178 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 174.8 | -70.7 | 175.8 | 0 | 0 | 0 | 112.8 | Y61 N64 W68 I83 K84 Q85 R89 I90 R91 | Y61-L87 HydrophobicContact CD2-CD2 4.13Å; Y61-L87 HydrophobicContact CE2-CD2 4.05Å; N64-L87 HydrophobicContact CB-CD2 4.04Å; W68-L87 HydrophobicContact CD2-CD1 4.23Å; W68-L87 HydrophobicContact CE3-CD1 3.39Å; W68-L87 HydrophobicContact CZ3-CD1 3.68Å; I83-L87 PolarHBondContact O-N 3.42Å; K84-L87 PolarHBondContact O-N 3.06Å; Q85-L87 PolarHBondContact O-N 3.46Å; L87-R89 VanDerWaalsContact C-N 3.34Å; L87-I90 HydrophobicContact CD2-CD1 4.36Å; L87-I90 PolarHBondContact O-N 2.93Å; L87-R91 WeakPolarHBondContact O-CB 3.47Å; L87-R91 PolarHBondContact O-N 3.16Å |
| 88 | E | 96.6 | Very high | 95.7 | Very high | 79 Ų | 79 | 86 Ų | 86 | 37% | 0.369 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.6 | -38 | 173.7 | -68.7 | -55.9 | 154.3 | 0 | 0 | 112.2 | K84 Q85 E86 R91 T92 | K84-E88 WeakPolarHBondContact O-CG 3.38Å; K84-E88 PolarHBondContact O-N 3.13Å; Q85-E88 PolarHBondContact O-N 3.4Å; E86-E88 PolarHBondContact O-N 2.75Å; E88-R91 PolarHBondContact O-N 2.92Å; E88-R91 IonicContact OE1-CZ 3.81Å; E88-R91 IonicContact OE1-NH1 3.91Å; E88-R91 PolarHBondContact OE1-NH1 3.05Å; E88-R91 IonicContact OE1-NH2 2.96Å; E88-R91 IonicContact OE2-CZ 3.97Å; E88-R91 IonicContact OE2-NE 2.68Å; E88-R91 IonicContact OE2-NH1 3.52Å; E88-R91 PolarHBondContact OE2-NH1 3.36Å; E88-T92 PolarHBondContact O-N 3.29Å; E88-T92 PolarHBondContact O-OG1 3.33Å |
| 89 | R | 97.3 | Very high | 95.7 | Very high | 121 Ų | 121 | 89.8 Ų | 89.8 | 46% | 0.457 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 174.1 | -168.1 | 178.3 | 95 | -150.1 | -0.2 | 110.7 | Q85 E86 L87 R91 T92 Y93 | Q85-R89 WeakPolarHBondContact O-CB 3.37Å; Q85-R89 PolarHBondContact O-N 2.86Å; E86-R89 VanDerWaalsContact CD-NH1 3.28Å; E86-R89 WeakPolarHBondContact O-CB 3.5Å; E86-R89 PolarHBondContact O-N 3.27Å; E86-R89 IonicContact OE1-CZ 3.9Å; E86-R89 IonicContact OE1-NH1 3.08Å; E86-R89 PolarHBondContact OE1-NH1 2.96Å; E86-R89 IonicContact OE2-CZ 3.22Å; E86-R89 IonicContact OE2-NE 3.55Å; E86-R89 IonicContact OE2-NH1 4Å; E86-R89 PolarHBondContact OE2-NH1 3.06Å; E86-R89 IonicContact OE2-NH2 2.78Å; E86-R89 PolarHBondContact OE2-NH2 3.31Å; L87-R89 VanDerWaalsContact C-N 3.34Å; R89-R91 PolarHBondContact O-N 3.46Å; R89-T92 WeakPolarHBondContact O-CB 3.48Å; R89-T92 PolarHBondContact O-N 3.48Å; R89-Y93 HydrophobicContact CG-CD2 4.12Å; R89-Y93 HydrophobicContact CG-CE2 3.64Å; R89-Y93 WeakPolarHBondContact O-CD2 3.47Å; R89-Y93 PolarHBondContact O-N 3.46Å |
| 90 | I | 97 | Very high | 95.8 | Very high | 4 Ų | 4 | 84.8 Ų | 84.8 | 2% | 0.021 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 177 | -66.2 | 158.4 | 0 | 0 | 0 | 110.9 | L57 V60 Y61 N64 E86 L87 T92 Y93 M94 | L57-I90 HydrophobicContact CD2-CG2 4.35Å; V60-I90 HydrophobicContact CG1-CD1 3.59Å; V60-I90 HydrophobicContact CG1-CG1 3.68Å; Y61-I90 HydrophobicContact CD2-CG2 4.05Å; Y61-I90 HydrophobicContact CG-CG2 4.49Å; N64-I90 HydrophobicContact CB-CD1 3.97Å; E86-I90 WeakPolarHBondContact O-CD1 3.35Å; E86-I90 WeakPolarHBondContact O-CG1 3.42Å; E86-I90 PolarHBondContact O-N 3.16Å; L87-I90 HydrophobicContact CD2-CD1 4.36Å; L87-I90 PolarHBondContact O-N 2.93Å; I90-T92 VanDerWaalsContact C-N 3.27Å; I90-T92 PolarHBondContact O-N 3.39Å; I90-Y93 PolarHBondContact O-N 3.26Å; I90-Y93 VanDerWaalsContact O-N 3.11Å; I90-M94 HydrophobicContact CG2-CE 3.82Å; I90-M94 HydrophobicContact CG2-CG 4.33Å; I90-M94 HydrophobicContact CG2-SD 4.24Å; I90-M94 WeakPolarHBondContact O-CG 3.22Å; I90-M94 PolarHBondContact O-N 3.47Å |
| 91 | R | 96.5 | Very high | 95.7 | Very high | 133 Ų | 133 | 78 Ų | 78 | 50% | 0.502 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -56.7 | -42.1 | 176.7 | -176.7 | -175.7 | -69 | 151.9 | 0 | 111.7 | L87 E88 R89 Y93 M94 N95 | L87-R91 WeakPolarHBondContact O-CB 3.47Å; L87-R91 PolarHBondContact O-N 3.16Å; E88-R91 PolarHBondContact O-N 2.92Å; E88-R91 IonicContact OE1-CZ 3.81Å; E88-R91 IonicContact OE1-NH1 3.91Å; E88-R91 PolarHBondContact OE1-NH1 3.05Å; E88-R91 IonicContact OE1-NH2 2.96Å; E88-R91 IonicContact OE2-CZ 3.97Å; E88-R91 IonicContact OE2-NE 2.68Å; E88-R91 IonicContact OE2-NH1 3.52Å; E88-R91 PolarHBondContact OE2-NH1 3.36Å; R89-R91 PolarHBondContact O-N 3.46Å; R91-Y93 VanDerWaalsContact C-N 3.34Å; R91-Y93 PolarHBondContact O-N 3.03Å; R91-M94 PolarHBondContact O-N 3.14Å; R91-N95 PolarHBondContact O-N 3.34Å; R91-N95 PolarHBondContact O-ND2 3.01Å |
| 92 | T | 97.9 | Very high | 95.5 | Very high | 91 Ų | 91 | 78.2 Ų | 78.2 | 56% | 0.558 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.6 | -45.9 | 176.6 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | E88 R89 I90 N95 R96 | E88-T92 PolarHBondContact O-N 3.29Å; E88-T92 PolarHBondContact O-OG1 3.33Å; R89-T92 WeakPolarHBondContact O-CB 3.48Å; R89-T92 PolarHBondContact O-N 3.48Å; I90-T92 VanDerWaalsContact C-N 3.27Å; I90-T92 PolarHBondContact O-N 3.39Å; T92-N95 PolarHBondContact O-N 2.89Å; T92-R96 PolarHBondContact O-N 2.91Å |
| 93 | Y | 97.2 | Very high | 95.3 | Very high | 132 Ų | 132 | 82.3 Ų | 82.3 | 52% | 0.518 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -71.1 | -35.1 | 177.8 | -70.3 | -65.7 | 0 | 0 | 0 | 113.5 | L57 R89 I90 R91 N95 R96 V97 | L57-Y93 VanDerWaalsContact CD2-CB 3.49Å; L57-Y93 HydrophobicContact CD2-CG 4.49Å; R89-Y93 HydrophobicContact CG-CD2 4.12Å; R89-Y93 HydrophobicContact CG-CE2 3.64Å; R89-Y93 WeakPolarHBondContact O-CD2 3.47Å; R89-Y93 PolarHBondContact O-N 3.46Å; I90-Y93 PolarHBondContact O-N 3.26Å; I90-Y93 VanDerWaalsContact O-N 3.11Å; R91-Y93 VanDerWaalsContact C-N 3.34Å; R91-Y93 PolarHBondContact O-N 3.03Å; Y93-N95 VanDerWaalsContact C-N 3.34Å; Y93-R96 WeakPolarHBondContact O-CB 3.34Å; Y93-R96 PolarHBondContact O-N 3.23Å; Y93-V97 PolarHBondContact O-N 3.32Å |
| 94 | M | 95.7 | Very high | 94.8 | Very high | 67 Ų | 67 | 88.4 Ų | 88.4 | 33% | 0.33 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 172.2 | -74.6 | -176.3 | 173.2 | 0 | 0 | 111.5 | L57 Y61 I90 R91 R96 V97 K98 | L57-M94 HydrophobicContact CD1-CG 4.23Å; L57-M94 HydrophobicContact CD2-CG 4.4Å; Y61-M94 HydrophobicContact CD1-CE 4.38Å; Y61-M94 HydrophobicContact CD2-CE 4.13Å; Y61-M94 HydrophobicContact CG-CE 3.81Å; I90-M94 HydrophobicContact CG2-CE 3.82Å; I90-M94 HydrophobicContact CG2-CG 4.33Å; I90-M94 HydrophobicContact CG2-SD 4.24Å; I90-M94 WeakPolarHBondContact O-CG 3.22Å; I90-M94 PolarHBondContact O-N 3.47Å; R91-M94 PolarHBondContact O-N 3.14Å; M94-R96 VanDerWaalsContact C-N 3.29Å; M94-R96 PolarHBondContact O-N 2.67Å; M94-V97 PolarHBondContact O-N 3.3Å; M94-K98 WeakPolarHBondContact O-CB 3.44Å; M94-K98 PolarHBondContact O-N 2.72Å |
| 95 | N | 96.9 | Very high | 94.4 | Very high | 86 Ų | 86 | 91.5 Ų | 91.5 | 46% | 0.46 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61 | -40.3 | 173.7 | -73.5 | -21.7 | 0 | 0 | 0 | 111.3 | R91 T92 Y93 V97 K98 E99 | R91-N95 PolarHBondContact O-N 3.34Å; R91-N95 PolarHBondContact O-ND2 3.01Å; T92-N95 PolarHBondContact O-N 2.89Å; Y93-N95 VanDerWaalsContact C-N 3.34Å; N95-V97 PolarHBondContact O-N 3.3Å; N95-K98 WeakPolarHBondContact O-CB 3.4Å; N95-K98 PolarHBondContact O-N 3.11Å; N95-E99 WeakPolarHBondContact O-CG 3.36Å; N95-E99 PolarHBondContact O-N 3.06Å |
| 96 | R | 96.2 | Very high | 93.9 | Very high | 125 Ų | 125 | 87.1 Ų | 87.1 | 47% | 0.472 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 176.2 | -175.6 | 54.5 | 172.4 | -172.1 | -7.6 | 112.8 | T92 Y93 M94 K98 E99 I100 | T92-R96 PolarHBondContact O-N 2.91Å; Y93-R96 WeakPolarHBondContact O-CB 3.34Å; Y93-R96 PolarHBondContact O-N 3.23Å; M94-R96 VanDerWaalsContact C-N 3.29Å; M94-R96 PolarHBondContact O-N 2.67Å; R96-K98 VanDerWaalsContact C-N 3.31Å; R96-K98 PolarHBondContact O-N 2.91Å; R96-E99 IonicContact CZ-OE2 2.95Å; R96-E99 IonicContact NH1-OE2 3.31Å; R96-E99 PolarHBondContact NH1-OE2 2.97Å; R96-E99 PolarHBondContact O-N 3Å; R96-I100 HydrophobicContact CG-CD1 4.13Å; R96-I100 VanDerWaalsContact O-CG1 3.3Å; R96-I100 WeakPolarHBondContact O-CG1 3.3Å; R96-I100 PolarHBondContact O-N 3.34Å |
| 97 | V | 95.3 | Very high | 93.1 | Very high | 19 Ų | 19 | 89.3 Ų | 89.3 | 12% | 0.115 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 175.6 | 166.1 | 0 | 0 | 0 | 0 | 111.2 | L50 A53 K54 L57 Y93 M94 N95 I100 T101 | L50-V97 HydrophobicContact CD1-CG1 3.95Å; A53-V97 HydrophobicContact CB-CG2 4.23Å; K54-V97 HydrophobicContact CG-CG1 3.72Å; L57-V97 HydrophobicContact CD1-CB 4.2Å; L57-V97 HydrophobicContact CD1-CG2 3.54Å; Y93-V97 PolarHBondContact O-N 3.32Å; M94-V97 PolarHBondContact O-N 3.3Å; N95-V97 PolarHBondContact O-N 3.3Å; V97-I100 PolarHBondContact O-N 2.96Å; V97-T101 WeakPolarHBondContact O-CB 3.32Å; V97-T101 PolarHBondContact O-N 3.38Å; V97-T101 PolarHBondContact O-OG1 3.37Å |
| 98 | K | 94.3 | Very high | 92.6 | Very high | 130 Ų | 130 | 97.6 Ų | 97.6 | 57% | 0.565 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.8 | -50.6 | 173.9 | -176.1 | -179.9 | 177 | -176.7 | 0 | 111.5 | M94 N95 R96 I100 T101 D102 | M94-K98 WeakPolarHBondContact O-CB 3.44Å; M94-K98 PolarHBondContact O-N 2.72Å; N95-K98 WeakPolarHBondContact O-CB 3.4Å; N95-K98 PolarHBondContact O-N 3.11Å; R96-K98 VanDerWaalsContact C-N 3.31Å; R96-K98 PolarHBondContact O-N 2.91Å; K98-I100 VanDerWaalsContact C-N 3.31Å; K98-I100 PolarHBondContact O-N 3.08Å; K98-T101 WeakPolarHBondContact O-CB 3.43Å; K98-T101 PolarHBondContact O-N 3.15Å; K98-T101 VanDerWaalsContact O-N 3.09Å; K98-D102 VanDerWaalsContact O-CG 3.31Å; K98-D102 PolarHBondContact O-N 3.27Å |
| 99 | E | 95.2 | Very high | 92 | Very high | 87 Ų | 87 | 100.5 Ų | 100.5 | 41% | 0.407 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -55.4 | -44.3 | 176.3 | -73.9 | 175.2 | -169.9 | 0 | 0 | 112.7 | N95 R96 T101 D102 K103 | N95-E99 WeakPolarHBondContact O-CG 3.36Å; N95-E99 PolarHBondContact O-N 3.06Å; R96-E99 IonicContact CZ-OE2 2.95Å; R96-E99 IonicContact NH1-OE2 3.31Å; R96-E99 PolarHBondContact NH1-OE2 2.97Å; R96-E99 PolarHBondContact O-N 3Å; E99-T101 VanDerWaalsContact C-N 3.33Å; E99-D102 PolarHBondContact O-N 2.87Å; E99-K103 WeakPolarHBondContact O-CB 3.38Å; E99-K103 WeakPolarHBondContact O-CG 3.41Å; E99-K103 PolarHBondContact O-N 3.23Å |
| 100 | I | 93.7 | Very high | 91.5 | Very high | 77 Ų | 77 | 99.6 Ų | 99.6 | 40% | 0.395 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 178.9 | -68 | 165.8 | 0 | 0 | 0 | 110.3 | L50 R96 V97 K98 D102 K103 K104 | L50-I100 HydrophobicContact CD1-CG2 4.18Å; R96-I100 HydrophobicContact CG-CD1 4.13Å; R96-I100 VanDerWaalsContact O-CG1 3.3Å; R96-I100 WeakPolarHBondContact O-CG1 3.3Å; R96-I100 PolarHBondContact O-N 3.34Å; V97-I100 PolarHBondContact O-N 2.96Å; K98-I100 VanDerWaalsContact C-N 3.31Å; K98-I100 PolarHBondContact O-N 3.08Å; I100-D102 VanDerWaalsContact C-N 3.35Å; I100-K103 PolarHBondContact O-N 3.19Å; I100-K104 PolarHBondContact O-N 3.21Å |
| 101 | T | 91.9 | Very high | 91.2 | Very high | 23 Ų | 23 | 107.8 Ų | 107.8 | 14% | 0.141 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 176.8 | -56 | 0 | 0 | 0 | 0 | 111 | V97 K98 E99 K104 K105 | V97-T101 WeakPolarHBondContact O-CB 3.32Å; V97-T101 PolarHBondContact O-N 3.38Å; V97-T101 PolarHBondContact O-OG1 3.37Å; K98-T101 WeakPolarHBondContact O-CB 3.43Å; K98-T101 PolarHBondContact O-N 3.15Å; K98-T101 VanDerWaalsContact O-N 3.09Å; E99-T101 VanDerWaalsContact C-N 3.33Å; T101-K104 WeakPolarHBondContact O-CB 3.48Å; T101-K104 PolarHBondContact O-N 3.39Å; T101-K105 PolarHBondContact O-N 3.34Å |
| 102 | D | 91.8 | Very high | 90.9 | Very high | 80 Ų | 80 | 103.3 Ų | 103.3 | 43% | 0.428 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.8 | -39.9 | -178.9 | -66.7 | -18.6 | 0 | 0 | 0 | 111.3 | K98 E99 I100 K104 K105 A106 | K98-D102 VanDerWaalsContact O-CG 3.31Å; K98-D102 PolarHBondContact O-N 3.27Å; E99-D102 PolarHBondContact O-N 2.87Å; I100-D102 VanDerWaalsContact C-N 3.35Å; D102-K104 PolarHBondContact O-N 3.1Å; D102-K105 CarbonylContact O-C 3.55Å; D102-K105 PolarHBondContact O-N 2.85Å; D102-A106 PolarHBondContact O-N 3.3Å |
| 103 | K | 90.6 | Very high | 90.4 | Very high | 122 Ų | 122 | 100.4 Ų | 100.4 | 53% | 0.53 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.6 | -31.7 | 171.9 | -74.9 | 171.1 | -174.1 | 172.8 | 0 | 113 | E99 I100 K105 | E99-K103 WeakPolarHBondContact O-CB 3.38Å; E99-K103 WeakPolarHBondContact O-CG 3.41Å; E99-K103 PolarHBondContact O-N 3.23Å; I100-K103 PolarHBondContact O-N 3.19Å; K103-K105 VanDerWaalsContact C-N 3.3Å |
| 104 | K | 85.3 | Confident | 90.1 | Very high | 134 Ų | 134 | 95.9 Ų | 95.9 | 58% | 0.583 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.6 | -30.7 | 174.6 | -169 | 177.6 | 178.5 | -178.9 | 0 | 111.6 | D48 I100 T101 D102 | D48-K104 IonicContact OD2-NZ 2.71Å; I100-K104 PolarHBondContact O-N 3.21Å; T101-K104 WeakPolarHBondContact O-CB 3.48Å; T101-K104 PolarHBondContact O-N 3.39Å; D102-K104 PolarHBondContact O-N 3.1Å |
| 105 | K | 85.4 | Confident | 89.8 | Confident | 168 Ų | 168 | 95.5 Ų | 95.5 | 73% | 0.73 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -89.3 | -19.1 | 178.7 | -65.7 | 178.8 | 179.6 | -179.8 | 0 | 114 | T101 D102 K103 | T101-K105 PolarHBondContact O-N 3.34Å; D102-K105 CarbonylContact O-C 3.55Å; D102-K105 PolarHBondContact O-N 2.85Å; K103-K105 VanDerWaalsContact C-N 3.3Å |
| 106 | A | 84.7 | Confident | 89.6 | Confident | 56 Ų | 56 | 100.8 Ų | 100.8 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -61.3 | 140.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D102 R108 | D102-A106 PolarHBondContact O-N 3.3Å; A106-R108 PolarHBondContact O-N 3.01Å |
| 107 | A | 81 | Confident | 89.4 | Confident | 108 Ų | 108 | 102.3 Ų | 102.3 | 89% | 0.893 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 131.7 | 174 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 108 | R | 83.8 | Confident | 89.2 | Confident | 207 Ų | 207 | 106.6 Ų | 106.6 | 78% | 0.781 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -101.2 | 136.2 | 177.5 | -64.6 | -176.4 | 177.3 | -178.1 | -1.5 | 109 | A106 D110 | A106-R108 PolarHBondContact O-N 3.01Å; R108-D110 PolarHBondContact O-N 3.34Å |
| 109 | L | 85.1 | Confident | 88.9 | Confident | 140 Ų | 140 | 109.2 Ų | 109.2 | 73% | 0.733 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 125.2 | 170.4 | 179.7 | 67.2 | 0 | 0 | 0 | 109.1 | K111 A114 | L109-K111 PolarHBondContact O-N 3.38Å; L109-A114 HydrophobicContact CD2-CB 4.44Å |
| 110 | D | 86.1 | Confident | 88.5 | Confident | 102 Ų | 102 | 111.2 Ų | 111.2 | 55% | 0.545 | 56% | 0.56 | S | S | . | * | trans | -71.7 | 98.1 | 168.1 | -175.7 | -17.1 | 0 | 0 | 0 | 108.8 | R108 G112 A113 A114 | R108-D110 PolarHBondContact O-N 3.34Å; D110-G112 PolarHBondContact O-N 3.19Å; D110-G112 VanDerWaalsContact OD1-CA 3.27Å; D110-G112 WeakPolarHBondContact OD1-CA 3.29Å; D110-G112 PolarHBondContact OD1-N 3.23Å; D110-A113 HydrophobicContact CB-CB 3.82Å; D110-A113 PolarHBondContact O-N 2.93Å; D110-A113 PolarHBondContact OD1-N 3.3Å; D110-A114 WeakPolarHBondContact O-CB 3.22Å; D110-A114 PolarHBondContact O-N 2.92Å | ||
| 111 | K | 91 | Very high | 88.3 | Confident | 176 Ų | 176 | 111.5 Ų | 111.5 | 77% | 0.765 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -59 | -31.1 | 177.6 | -62.5 | -177.2 | -179.5 | -177.6 | 0 | 111.8 | L109 S115 | L109-K111 PolarHBondContact O-N 3.38Å; K111-S115 VanDerWaalsContact O-CB 3.24Å; K111-S115 WeakPolarHBondContact O-CB 3.48Å; K111-S115 PolarHBondContact O-N 3.5Å |
| 112 | G | 88.9 | Confident | 88 | Confident | 39 Ų | 39 | 116.2 Ų | 116.2 | 40% | 0.402 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.8 | -49.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | D110 A114 S115 R116 | D110-G112 PolarHBondContact O-N 3.19Å; D110-G112 VanDerWaalsContact OD1-CA 3.27Å; D110-G112 WeakPolarHBondContact OD1-CA 3.29Å; D110-G112 PolarHBondContact OD1-N 3.23Å; G112-A114 PolarHBondContact O-N 3.4Å; G112-S115 WeakPolarHBondContact O-CB 3.39Å; G112-S115 PolarHBondContact O-N 3.45Å; G112-R116 WeakPolarHBondContact O-CG 3.41Å; G112-R116 PolarHBondContact O-N 3.35Å |
| 113 | A | 89.1 | Confident | 87.6 | Confident | 31 Ų | 31 | 117.3 Ų | 117.3 | 26% | 0.256 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -59.6 | -46.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D110 S115 R116 F117 | D110-A113 HydrophobicContact CB-CB 3.82Å; D110-A113 PolarHBondContact O-N 2.93Å; D110-A113 PolarHBondContact OD1-N 3.3Å; A113-S115 VanDerWaalsContact C-N 3.32Å; A113-S115 PolarHBondContact O-N 2.98Å; A113-R116 WeakPolarHBondContact O-CB 3.33Å; A113-R116 PolarHBondContact O-N 3.38Å; A113-R116 VanDerWaalsContact O-N 3.13Å; A113-F117 HydrophobicContact CB-CE2 4.4Å; A113-F117 WeakPolarHBondContact O-CD2 3.5Å; A113-F117 PolarHBondContact O-N 3.48Å |
| 114 | A | 90.9 | Very high | 87.1 | Confident | 37 Ų | 37 | 116.2 Ų | 116.2 | 31% | 0.306 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -58.7 | -42.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L109 D110 G112 R116 F117 L118 | L109-A114 HydrophobicContact CD2-CB 4.44Å; D110-A114 WeakPolarHBondContact O-CB 3.22Å; D110-A114 PolarHBondContact O-N 2.92Å; G112-A114 PolarHBondContact O-N 3.4Å; A114-R116 VanDerWaalsContact C-N 3.35Å; A114-R116 PolarHBondContact O-N 2.94Å; A114-F117 PolarHBondContact O-N 3.13Å; A114-L118 WeakPolarHBondContact O-CB 3.32Å; A114-L118 PolarHBondContact O-N 3.38Å |
| 115 | S | 89 | Confident | 86.3 | Confident | 58 Ų | 58 | 113.6 Ų | 113.6 | 41% | 0.406 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.8 | -38.2 | 175.7 | -172.5 | 0 | 0 | 0 | 0 | 112.4 | K111 G112 A113 L118 R119 | K111-S115 VanDerWaalsContact O-CB 3.24Å; K111-S115 WeakPolarHBondContact O-CB 3.48Å; K111-S115 PolarHBondContact O-N 3.5Å; G112-S115 WeakPolarHBondContact O-CB 3.39Å; G112-S115 PolarHBondContact O-N 3.45Å; A113-S115 VanDerWaalsContact C-N 3.32Å; A113-S115 PolarHBondContact O-N 2.98Å; S115-L118 PolarHBondContact O-N 3.25Å; S115-R119 WeakPolarHBondContact O-CB 3.33Å; S115-R119 PolarHBondContact O-N 2.92Å |
| 116 | R | 93.1 | Very high | 85.3 | Confident | 198 Ų | 198 | 111.1 Ų | 111.1 | 75% | 0.747 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.5 | -43.7 | 175.8 | -68.6 | 171.3 | 88.8 | -177.5 | 6.9 | 111.5 | G112 A113 A114 L118 R119 N120 | G112-R116 WeakPolarHBondContact O-CG 3.41Å; G112-R116 PolarHBondContact O-N 3.35Å; A113-R116 WeakPolarHBondContact O-CB 3.33Å; A113-R116 PolarHBondContact O-N 3.38Å; A113-R116 VanDerWaalsContact O-N 3.13Å; A114-R116 VanDerWaalsContact C-N 3.35Å; A114-R116 PolarHBondContact O-N 2.94Å; R116-L118 VanDerWaalsContact C-N 3.34Å; R116-L118 PolarHBondContact O-N 2.95Å; R116-R119 PolarHBondContact O-N 2.91Å; R116-N120 WeakPolarHBondContact O-CB 3.5Å; R116-N120 PolarHBondContact O-N 2.95Å |
| 117 | F | 91.9 | Very high | 84.3 | Confident | 156 Ų | 156 | 112.2 Ų | 112.2 | 68% | 0.684 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60 | -45.7 | 174.7 | -69.5 | -48.6 | 0 | 0 | 0 | 111.5 | A113 A114 N120 A121 | A113-F117 HydrophobicContact CB-CE2 4.4Å; A113-F117 WeakPolarHBondContact O-CD2 3.5Å; A113-F117 PolarHBondContact O-N 3.48Å; A114-F117 PolarHBondContact O-N 3.13Å; F117-N120 PolarHBondContact O-N 2.95Å; F117-A121 WeakPolarHBondContact O-CB 3.27Å; F117-A121 PolarHBondContact O-N 3.24Å |
| 118 | L | 89.4 | Confident | 83.3 | Confident | 109 Ų | 109 | 113.1 Ų | 113.1 | 57% | 0.571 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.5 | -43.7 | 178.9 | -165.2 | 71.9 | 0 | 0 | 0 | 112.2 | A114 S115 R116 N120 A121 L122 | A114-L118 WeakPolarHBondContact O-CB 3.32Å; A114-L118 PolarHBondContact O-N 3.38Å; S115-L118 PolarHBondContact O-N 3.25Å; R116-L118 VanDerWaalsContact C-N 3.34Å; R116-L118 PolarHBondContact O-N 2.95Å; L118-N120 VanDerWaalsContact C-N 3.29Å; L118-N120 PolarHBondContact O-N 3.49Å; L118-A121 PolarHBondContact O-N 2.8Å; L118-L122 HydrophobicContact CD1-CD1 4.16Å; L118-L122 HydrophobicContact CD2-CD1 4.41Å; L118-L122 HydrophobicContact CG-CD1 3.86Å; L118-L122 HydrophobicContact CG-CG 4.47Å; L118-L122 WeakPolarHBondContact O-CB 3.24Å; L118-L122 WeakPolarHBondContact O-CG 3.3Å; L118-L122 PolarHBondContact O-N 3.26Å |
| 119 | R | 88.2 | Confident | 81.8 | Confident | 185 Ų | 185 | 110.4 Ų | 110.4 | 70% | 0.698 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.4 | -35.9 | 178.2 | -173.7 | -179.9 | -62.4 | 173 | 1.6 | 112.5 | S115 R116 F123 | S115-R119 WeakPolarHBondContact O-CB 3.33Å; S115-R119 PolarHBondContact O-N 2.92Å; R116-R119 PolarHBondContact O-N 2.91Å; R119-F123 PolarHBondContact O-N 3.31Å |
| 120 | N | 88.3 | Confident | 80.3 | Confident | 130 Ų | 130 | 109.8 Ų | 109.8 | 70% | 0.695 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -75.6 | -36.4 | 177.1 | -167.2 | 70.5 | 0 | 0 | 0 | 112 | R116 F117 L118 F123 | R116-N120 WeakPolarHBondContact O-CB 3.5Å; R116-N120 PolarHBondContact O-N 2.95Å; F117-N120 PolarHBondContact O-N 2.95Å; L118-N120 VanDerWaalsContact C-N 3.29Å; L118-N120 PolarHBondContact O-N 3.49Å; N120-F123 VanDerWaalsContact O-CB 3.3Å; N120-F123 WeakPolarHBondContact O-CB 3.42Å; N120-F123 PolarHBondContact O-N 3.4Å |
| 121 | A | 88.6 | Confident | 78.9 | Confident | 83 Ų | 83 | 112.7 Ų | 112.7 | 69% | 0.686 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71.2 | -33 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | F117 L118 F123 | F117-A121 WeakPolarHBondContact O-CB 3.27Å; F117-A121 PolarHBondContact O-N 3.24Å; L118-A121 PolarHBondContact O-N 2.8Å; A121-F123 VanDerWaalsContact C-N 3.29Å |
| 122 | L | 84.8 | Confident | 77.1 | Confident | 121 Ų | 121 | 113.2 Ų | 113.2 | 63% | 0.634 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 17.8 | 175.3 | -60.7 | 174.9 | 0 | 0 | 0 | 112.5 | L118 D124 | L118-L122 HydrophobicContact CD1-CD1 4.16Å; L118-L122 HydrophobicContact CD2-CD1 4.41Å; L118-L122 HydrophobicContact CG-CD1 3.86Å; L118-L122 HydrophobicContact CG-CG 4.47Å; L118-L122 WeakPolarHBondContact O-CB 3.24Å; L118-L122 WeakPolarHBondContact O-CG 3.3Å; L118-L122 PolarHBondContact O-N 3.26Å; L122-D124 PolarHBondContact O-N 3.48Å |
| 123 | F | 83.4 | Confident | 75.2 | Confident | 103 Ų | 103 | 115.1 Ų | 115.1 | 45% | 0.452 | 59% | 0.586 | S | S | . | * | trans | -80 | 102.5 | 179.9 | -179.8 | -99.4 | 0 | 0 | 0 | 110 | R119 N120 A121 K128 | R119-F123 PolarHBondContact O-N 3.31Å; N120-F123 VanDerWaalsContact O-CB 3.3Å; N120-F123 WeakPolarHBondContact O-CB 3.42Å; N120-F123 PolarHBondContact O-N 3.4Å; A121-F123 VanDerWaalsContact C-N 3.29Å; F123-K128 HydrophobicContact CE2-CD 4.35Å; F123-K128 HydrophobicContact CZ-CD 4.16Å | ||
| 124 | D | 80.6 | Confident | 73.1 | Confident | 99 Ų | 99 | 116.9 Ų | 116.9 | 53% | 0.529 | 60% | 0.601 | S | S | . | * | trans | -93.8 | 129.3 | 166.4 | -87.5 | -47.4 | 0 | 0 | 0 | 110.7 | L122 D126 D127 | L122-D124 PolarHBondContact O-N 3.48Å; D124-D126 VanDerWaalsContact C-N 3.26Å; D124-D126 PolarHBondContact O-N 3.45Å; D124-D127 PolarHBondContact O-N 3.4Å | ||
| 125 | P | 68.7 | Low | 70.9 | Confident | 80 Ų | 80 | 120.8 Ų | 120.8 | 52% | 0.519 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -66 | -28.5 | 177.9 | 25.6 | -31.8 | 0 | 0 | 0 | 112.7 | D127 K128 | P125-D127 VanDerWaalsContact C-N 3.31Å; P125-D127 PolarHBondContact O-N 3.39Å; P125-K128 PolarHBondContact O-N 3Å |
| 126 | D | 65.6 | Low | 69 | Low | 115 Ų | 115 | 128.1 Ų | 128.1 | 62% | 0.615 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -23.8 | -178.5 | -60.9 | -26.3 | 0 | 0 | 0 | 112.8 | D124 K128 E129 L130 | D124-D126 VanDerWaalsContact C-N 3.26Å; D124-D126 PolarHBondContact O-N 3.45Å; D126-K128 PolarHBondContact O-N 3.41Å; D126-E129 PolarHBondContact O-N 3.43Å; D126-L130 PolarHBondContact O-N 3.43Å |
| 127 | D | 62.8 | Low | 66.4 | Low | 80 Ų | 80 | 128.1 Ų | 128.1 | 43% | 0.428 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -66 | -22.9 | 175.3 | -96.4 | -6.6 | 0 | 0 | 0 | 113.2 | D124 P125 K131 | D124-D127 PolarHBondContact O-N 3.4Å; P125-D127 VanDerWaalsContact C-N 3.31Å; P125-D127 PolarHBondContact O-N 3.39Å; D127-K131 PolarHBondContact O-N 3.41Å |
| 128 | K | 59.3 | Low | 63.8 | Low | 126 Ų | 126 | 126.4 Ų | 126.4 | 55% | 0.548 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -74.8 | -29.1 | 175.8 | -79.8 | -176.1 | 173.9 | 168.1 | 0 | 112.4 | F123 P125 D126 K132 | F123-K128 HydrophobicContact CE2-CD 4.35Å; F123-K128 HydrophobicContact CZ-CD 4.16Å; P125-K128 PolarHBondContact O-N 3Å; D126-K128 PolarHBondContact O-N 3.41Å; K128-K132 WeakPolarHBondContact O-CB 3.5Å; K128-K132 PolarHBondContact O-N 3.32Å; K128-K132 VanDerWaalsContact O-N 3.16Å |
| 129 | E | 53.7 | Low | 61.9 | Low | 150 Ų | 150 | 126 Ų | 126 | 70% | 0.701 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -72.9 | -40.4 | 177.2 | -63.5 | -145.2 | 143.3 | 0 | 0 | 110.7 | D126 K131 K132 A133 | D126-E129 PolarHBondContact O-N 3.43Å; E129-K131 PolarHBondContact O-N 3.5Å; E129-K132 PolarHBondContact O-N 3.22Å; E129-A133 PolarHBondContact O-N 3.33Å |
| 130 | L | 53.9 | Low | 59.6 | Low | 127 Ų | 127 | 125 Ų | 125 | 67% | 0.665 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -63.8 | -37.4 | 175.5 | -69.4 | 163.5 | 0 | 0 | 0 | 112.9 | D126 | D126-L130 PolarHBondContact O-N 3.43Å |
| 131 | K | 54.9 | Low | 57.2 | Low | 163 Ų | 163 | 123 Ų | 123 | 71% | 0.709 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -79.8 | -22.3 | 177.9 | -72.5 | -179 | -176.3 | 168.9 | 0 | 114.4 | D127 E129 A133 | D127-K131 PolarHBondContact O-N 3.41Å; E129-K131 PolarHBondContact O-N 3.5Å; K131-A133 VanDerWaalsContact C-N 3.35Å |
| 132 | K | 53.2 | Low | 54.9 | Low | 187 Ų | 187 | 125.3 Ų | 125.3 | 81% | 0.813 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -77.6 | -21.6 | 171.1 | -84.3 | -179.6 | 175 | -179.8 | 0 | 112.8 | K128 E129 | K128-K132 WeakPolarHBondContact O-CB 3.5Å; K128-K132 PolarHBondContact O-N 3.32Å; K128-K132 VanDerWaalsContact O-N 3.16Å; E129-K132 PolarHBondContact O-N 3.22Å |
| 133 | A | 50.5 | Low | 52.8 | Low | 79 Ų | 79 | 125.2 Ų | 125.2 | 65% | 0.653 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -87.2 | -6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | E129 K131 P135 | E129-A133 PolarHBondContact O-N 3.33Å; K131-A133 VanDerWaalsContact C-N 3.35Å; A133-P135 WeakPolarHBondContact O-CD 3.4Å |
| 134 | A | 45.2 | Very low | 50.7 | Low | 69 Ų | 69 | 128.7 Ų | 128.7 | 57% | 0.57 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -80.7 | 117.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 135 | P | 44.5 | Very low | 48.9 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | trans | -70.3 | 135.9 | -178.8 | 28 | -31.9 | 0 | 0 | 0 | 110.8 | A133 K137 | A133-P135 WeakPolarHBondContact O-CD 3.4Å; P135-K137 PolarHBondContact O-N 3.19Å | ||
| 136 | K | 48.3 | Very low | 47.5 | Very low | 211 Ų | 211 | 129.8 Ų | 129.8 | 92% | 0.917 | 74% | 0.735 | S | S | * | * | trans | -56.9 | 103.7 | 166.5 | -71.3 | 179.5 | 177.4 | 177 | 0 | 108.9 | ||||
| 137 | K | 37.9 | Very low | 46.4 | Very low | 198 Ų | 198 | 132 Ų | 132 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | trans | -79.5 | 131 | 162.9 | -115.7 | 179.4 | 178.3 | -179.5 | 0 | 108.4 | P135 | P135-K137 PolarHBondContact O-N 3.19Š| ||
| 138 | P | 38.8 | Very low | 45.6 | Very low | 121 Ų | 121 | 140 Ų | 140 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | trans | -67.9 | 148.8 | -174.5 | 26.8 | -32.6 | 0 | 0 | 0 | 111.7 | D140 | P138-D140 PolarHBondContact O-N 3.16Š| ||
| 139 | A | 47.9 | Very low | 45.1 | Very low | 100 Ų | 100 | 142.9 Ų | 142.9 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -65.1 | 112.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 140 | D | 40.4 | Very low | 45 | Very low | 164 Ų | 164 | 147.1 Ų | 147.1 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | -164.8 | 112.9 | 146.9 | -131.8 | -15.1 | 0 | 0 | 0 | 110.9 | P138 | P138-D140 PolarHBondContact O-N 3.16Š| ||
| 141 | A | 37.2 | Very low | 44.9 | Very low | 88 Ų | 88 | 147.3 Ų | 147.3 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | 166.9 | 121.5 | 152.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | S143 | A141-S143 PolarHBondContact O-N 3.27Š| ||
| 142 | P | 41.3 | Very low | 44.5 | Very low | 132 Ų | 132 | 149.6 Ų | 149.6 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | trans | -80 | 114.7 | 173 | 31.1 | -28 | 0 | 0 | 0 | 109.5 | ||||
| 143 | S | 39.8 | Very low | 44.7 | Very low | 119 Ų | 119 | 150 Ų | 150 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -97.3 | 92.9 | 167.4 | 177.6 | 0 | 0 | 0 | 0 | 108.8 | A141 A145 | A141-S143 PolarHBondContact O-N 3.27Å; S143-A145 PolarHBondContact O-N 3.27Å | ||
| 144 | E | 39.3 | Very low | 45 | Very low | 175 Ų | 175 | 155.6 Ų | 155.6 | 82% | 0.818 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 127 | 169.6 | -163.3 | 174.4 | 176.7 | 0 | 0 | 110.1 | ||
| 145 | A | 42.9 | Very low | 45 | Very low | 78 Ų | 78 | 160 Ų | 160 | 65% | 0.645 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 151.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112 | S143 Q147 | S143-A145 PolarHBondContact O-N 3.27Å; A145-Q147 PolarHBondContact O-N 2.99Å |
| 146 | P | 39.1 | Very low | 45.1 | Very low | 125 Ų | 125 | 162.1 Ų | 162.1 | 81% | 0.812 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 118.9 | -177 | 22.3 | -18.6 | 0 | 0 | 0 | 111.4 | R148 | P146-R148 PolarHBondContact O-N 3.32Š|
| 147 | Q | 44 | Very low | 44.9 | Very low | 161 Ų | 161 | 159.4 Ų | 159.4 | 75% | 0.752 | 86% | 0.861 | S | S | * | * | trans | -66.4 | 110.4 | 170.9 | -71.5 | -176.8 | 3.7 | 0 | 0 | 110.5 | A145 | A145-Q147 PolarHBondContact O-N 2.99Š| ||
| 148 | R | 45.4 | Very low | 45.3 | Very low | 248 Ų | 248 | 157.1 Ų | 157.1 | 94% | 0.936 | 86% | 0.861 | S | S | * | * | trans | -100.6 | 99.1 | 157.5 | -78.8 | -176 | 174.7 | -174.3 | -1 | 108.8 | P146 | P146-R148 PolarHBondContact O-N 3.32Š| ||
| 149 | K | 48.6 | Very low | 45.7 | Very low | 187 Ų | 187 | 159.4 Ų | 159.4 | 81% | 0.813 | 87% | 0.866 | S | S | * | * | trans | -108.7 | 124.2 | 163.2 | -75.3 | -174.8 | 179.1 | 176.3 | 0 | 109.2 | ||||
| 150 | R | 51.2 | Low | 45.6 | Very low | 239 Ų | 239 | 163.3 Ų | 163.3 | 90% | 0.902 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 149.9 | 177.4 | -73.5 | 171.5 | 158.6 | -177.1 | -7.5 | 111.8 | ||
| 151 | P | 52.4 | Low | 45.9 | Very low | 130 Ų | 130 | 163.3 Ų | 163.3 | 84% | 0.844 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 142.9 | 172.3 | 31.1 | -30.8 | 0 | 0 | 0 | 111.3 | ||
| 152 | K | 47.5 | Very low | 46.6 | Very low | 211 Ų | 211 | 169.1 Ų | 169.1 | 92% | 0.917 | 88% | 0.879 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 134.4 | 166.7 | -80.1 | 174.6 | 169.8 | 179.6 | 0 | 108.9 | ||
| 153 | Q | 56.4 | Low | 47 | Very low | 196 Ų | 196 | 172.2 Ų | 172.2 | 92% | 0.916 | 88% | 0.88 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 139.2 | 164 | -107.6 | 177.3 | -30.6 | 0 | 0 | 109.6 | ||
| 154 | S | 58 | Low | 47.7 | Very low | 197 Ų | 197 | 177 Ų | 177 | 100% | 1.378 | 89% | 0.885 | S | S | * | * | trans | -63.2 | 0 | 169.1 | -73.8 | 0 | 0 | 0 | 0 | 113.1 |
Retrieved 154 of 154 residues in 100.9 ms
(Link to these results)