| 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 | 27.8 | Very low | 29.2 | Very low | 228 Ų | 228 | 166.6 Ų | 166.6 | 100% | 1.123 | 77% | 0.768 | S | S | * | * | 0 | 106.4 | 0 | -174.8 | 173.8 | 172.7 | 0 | 0 | 107.9 | |||||
| 2 | I | 21.4 | Very low | 29.5 | Very low | 156 Ų | 156 | 164.3 Ų | 164.3 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | trans | -94 | 103.6 | -176.6 | -60 | 173.9 | 0 | 0 | 0 | 107.9 | M4 | I2-M4 HydrophobicContact CG2-CG 3.79Å; I2-M4 PolarHBondContact O-N 2.85Å | ||
| 3 | T | 23.1 | Very low | 29.9 | Very low | 124 Ų | 124 | 158 Ų | 158 | 76% | 0.761 | 72% | 0.724 | S | S | * | * | trans | -85.8 | 91.4 | 176.7 | -35.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 4 | M | 21.8 | Very low | 30.6 | Very low | 171 Ų | 171 | 153 Ų | 153 | 84% | 0.842 | 71% | 0.71 | S | S | * | * | trans | -82.4 | 134.3 | 174.6 | -75.1 | -137.9 | -85.9 | 0 | 0 | 112.4 | I2 | I2-M4 HydrophobicContact CG2-CG 3.79Å; I2-M4 PolarHBondContact O-N 2.85Å | ||
| 5 | R | 30.6 | Very low | 30.9 | Very low | 228 Ų | 228 | 149.2 Ų | 149.2 | 86% | 0.86 | 70% | 0.696 | S | S | * | * | trans | -66.7 | 135.2 | -171.3 | -70.2 | 171.6 | 167 | 173.9 | -5.9 | 114.2 | ||||
| 6 | K | 31 | Very low | 31.1 | Very low | 208 Ų | 208 | 143.3 Ų | 143.3 | 90% | 0.904 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -90.8 | 5.5 | 174 | -118.2 | -179.2 | -176.6 | -179.5 | 0 | 116.3 | ||
| 7 | R | 32.9 | Very low | 31.7 | Very low | 215 Ų | 215 | 136.9 Ų | 136.9 | 81% | 0.811 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -99.9 | -7.9 | -167.8 | -80.4 | -169.7 | -178.4 | -177.1 | 1.7 | 117.8 | ||
| 8 | K | 31.7 | Very low | 32.3 | Very low | 159 Ų | 159 | 132.4 Ų | 132.4 | 69% | 0.691 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -102.3 | -10.3 | -179.6 | -80.7 | -167.8 | 175 | -171.4 | 0 | 115.3 | ||
| 9 | F | 31.5 | Very low | 32.4 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 44% | 0.443 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67 | -52.9 | -174.7 | -153.7 | -111.8 | 0 | 0 | 0 | 111.2 | Q11 Q12 W13 | F9-Q11 PolarHBondContact O-N 3.07Å; F9-Q12 PolarHBondContact O-N 3.03Å; F9-W13 AromaticContact CD1-CD1 3.34Å; F9-W13 AromaticContact CD1-NE1 3.13Å; F9-W13 HydrophobicContact CD2-CZ2 4.5Å; F9-W13 AromaticContact CD2-NE1 3.14Å; F9-W13 AromaticContact CE1-CD1 3.52Å; F9-W13 AromaticContact CE1-CE2 3.8Å; F9-W13 HydrophobicContact CE1-CZ2 4.25Å; F9-W13 AromaticContact CE1-NE1 3Å; F9-W13 AromaticContact CE2-CE2 3.62Å; F9-W13 AromaticContact CE2-CZ2 3.62Å; F9-W13 HydrophobicContact CE2-CZ2 3.62Å; F9-W13 AromaticContact CE2-NE1 3.02Å; F9-W13 AromaticContact CG-CD1 3.61Å; F9-W13 AromaticContact CG-NE1 3.2Å; F9-W13 AromaticContact CZ-CD1 3.95Å; F9-W13 AromaticContact CZ-CE2 3.44Å; F9-W13 VanDerWaalsContact CZ-CE2 3.44Å; F9-W13 AromaticContact CZ-CZ2 3.47Å; F9-W13 HydrophobicContact CZ-CZ2 3.47Å; F9-W13 VanDerWaalsContact CZ-CZ2 3.47Å; F9-W13 AromaticContact CZ-NE1 2.96Å; F9-W13 PolarHBondContact O-N 3.16Å |
| 10 | N | 37 | Very low | 32.7 | Very low | 111 Ų | 111 | 126 Ų | 126 | 59% | 0.594 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -59 | -42.8 | -172.1 | -80.9 | -8 | 0 | 0 | 0 | 114.9 | Q12 W13 T14 | N10-Q12 PolarHBondContact O-N 2.95Å; N10-W13 PolarHBondContact O-N 3.22Å; N10-T14 PolarHBondContact O-N 3.17Å; N10-T14 VanDerWaalsContact O-N 3.1Å; N10-T14 PolarHBondContact O-OG1 3.23Å |
| 11 | Q | 32.8 | Very low | 33.1 | Very low | 132 Ų | 132 | 122.8 Ų | 122.8 | 62% | 0.617 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.5 | -38.8 | -176.1 | -77.8 | 180 | -22.5 | 0 | 0 | 112.9 | F9 I15 | F9-Q11 PolarHBondContact O-N 3.07Å; Q11-I15 WeakPolarHBondContact O-CD1 3.2Å; Q11-I15 VanDerWaalsContact O-CG1 3.25Å; Q11-I15 WeakPolarHBondContact O-CG1 3.28Å; Q11-I15 PolarHBondContact O-N 3.3Å |
| 12 | Q | 32 | Very low | 33.5 | Very low | 138 Ų | 138 | 118.1 Ų | 118.1 | 65% | 0.645 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -70.3 | -38 | -176.6 | -155.6 | 169.4 | -4.6 | 0 | 0 | 111 | F9 N10 I15 V16 | F9-Q12 PolarHBondContact O-N 3.03Å; N10-Q12 PolarHBondContact O-N 2.95Å; Q12-I15 PolarHBondContact O-N 3.09Å; Q12-V16 WeakPolarHBondContact O-CG2 3.36Å; Q12-V16 PolarHBondContact O-N 2.96Å; Q12-V16 VanDerWaalsContact O-N 3.11Å |
| 13 | W | 35.7 | Very low | 33.9 | Very low | 83 Ų | 83 | 116.2 Ų | 116.2 | 31% | 0.314 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -72.3 | -38.9 | 177.7 | -63 | 120.1 | 0 | 0 | 0 | 113.5 | F9 N10 I15 V16 V17 L98 | F9-W13 AromaticContact CD1-CD1 3.34Å; F9-W13 AromaticContact CD1-NE1 3.13Å; F9-W13 HydrophobicContact CD2-CZ2 4.5Å; F9-W13 AromaticContact CD2-NE1 3.14Å; F9-W13 AromaticContact CE1-CD1 3.52Å; F9-W13 AromaticContact CE1-CE2 3.8Å; F9-W13 HydrophobicContact CE1-CZ2 4.25Å; F9-W13 AromaticContact CE1-NE1 3Å; F9-W13 AromaticContact CE2-CE2 3.62Å; F9-W13 AromaticContact CE2-CZ2 3.62Å; F9-W13 HydrophobicContact CE2-CZ2 3.62Å; F9-W13 AromaticContact CE2-NE1 3.02Å; F9-W13 AromaticContact CG-CD1 3.61Å; F9-W13 AromaticContact CG-NE1 3.2Å; F9-W13 AromaticContact CZ-CD1 3.95Å; F9-W13 AromaticContact CZ-CE2 3.44Å; F9-W13 VanDerWaalsContact CZ-CE2 3.44Å; F9-W13 AromaticContact CZ-CZ2 3.47Å; F9-W13 HydrophobicContact CZ-CZ2 3.47Å; F9-W13 VanDerWaalsContact CZ-CZ2 3.47Å; F9-W13 AromaticContact CZ-NE1 2.96Å; F9-W13 PolarHBondContact O-N 3.16Å; N10-W13 PolarHBondContact O-N 3.22Å; W13-I15 VanDerWaalsContact C-N 3.26Å; W13-I15 PolarHBondContact O-N 3.37Å; W13-V16 PolarHBondContact O-N 3.39Å; W13-V17 WeakPolarHBondContact O-CG2 3.29Å; W13-V17 PolarHBondContact O-N 3.17Å; W13-L98 HydrophobicContact CB-CD2 3.74Å; W13-L98 HydrophobicContact CD2-CD2 3.3Å; W13-L98 HydrophobicContact CE3-CD2 3.05Å; W13-L98 HydrophobicContact CE3-CG 3.99Å; W13-L98 HydrophobicContact CG-CD2 3.6Å; W13-L98 HydrophobicContact CH2-CD2 4.38Å; W13-L98 HydrophobicContact CZ3-CD2 3.63Å; W13-L98 HydrophobicContact CZ3-CG 4.24Å |
| 14 | T | 39.2 | Very low | 34.5 | Very low | 88 Ų | 88 | 111.1 Ų | 111.1 | 54% | 0.54 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.8 | -40.8 | 172.7 | -55.4 | 0 | 0 | 0 | 0 | 111 | N10 V18 | N10-T14 PolarHBondContact O-N 3.17Å; N10-T14 VanDerWaalsContact O-N 3.1Å; N10-T14 PolarHBondContact O-OG1 3.23Å; T14-V18 HydrophobicContact CG2-CG2 4.4Å; T14-V18 WeakPolarHBondContact O-CB 3.48Å; T14-V18 WeakPolarHBondContact O-CG2 3.36Å; T14-V18 PolarHBondContact O-N 3.46Å |
| 15 | I | 34.5 | Very low | 35.2 | Very low | 96 Ų | 96 | 109.1 Ų | 109.1 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65 | -43.3 | 177 | -66.8 | 164.3 | 0 | 0 | 0 | 111.1 | Q11 Q12 W13 V18 Q19 | Q11-I15 WeakPolarHBondContact O-CD1 3.2Å; Q11-I15 VanDerWaalsContact O-CG1 3.25Å; Q11-I15 WeakPolarHBondContact O-CG1 3.28Å; Q11-I15 PolarHBondContact O-N 3.3Å; Q12-I15 PolarHBondContact O-N 3.09Å; W13-I15 VanDerWaalsContact C-N 3.26Å; W13-I15 PolarHBondContact O-N 3.37Å; I15-V18 PolarHBondContact O-N 3.08Å; I15-Q19 HydrophobicContact CG2-CG 4.19Å; I15-Q19 VanDerWaalsContact O-CB 3.28Å; I15-Q19 WeakPolarHBondContact O-CB 3.31Å; I15-Q19 VanDerWaalsContact O-CG 3.3Å; I15-Q19 WeakPolarHBondContact O-CG 3.5Å; I15-Q19 PolarHBondContact O-N 3.07Å |
| 16 | V | 34.7 | Very low | 35.4 | Very low | 54 Ų | 54 | 101.8 Ų | 101.8 | 33% | 0.327 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 178.4 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | Q12 W13 V18 Q19 V20 | Q12-V16 WeakPolarHBondContact O-CG2 3.36Å; Q12-V16 PolarHBondContact O-N 2.96Å; Q12-V16 VanDerWaalsContact O-N 3.11Å; W13-V16 PolarHBondContact O-N 3.39Å; V16-V18 PolarHBondContact O-N 3.2Å; V16-Q19 PolarHBondContact O-N 2.87Å; V16-V20 HydrophobicContact CG1-CG2 4.3Å; V16-V20 WeakPolarHBondContact O-CB 3.33Å; V16-V20 WeakPolarHBondContact O-CG2 3.3Å; V16-V20 PolarHBondContact O-N 3.28Å |
| 17 | V | 41.9 | Very low | 35.6 | Very low | 36 Ų | 36 | 95.9 Ų | 95.9 | 22% | 0.218 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 178.1 | 175.9 | 0 | 0 | 0 | 0 | 111 | W13 Q19 V20 L21 L98 | W13-V17 WeakPolarHBondContact O-CG2 3.29Å; W13-V17 PolarHBondContact O-N 3.17Å; V17-Q19 PolarHBondContact O-N 3Å; V17-V20 PolarHBondContact O-N 3.35Å; V17-L21 HydrophobicContact CG1-CD1 3.98Å; V17-L21 WeakPolarHBondContact O-CB 3.44Å; V17-L21 VanDerWaalsContact O-CG 3.23Å; V17-L21 WeakPolarHBondContact O-CG 3.48Å; V17-L21 PolarHBondContact O-N 3.24Å; V17-L98 HydrophobicContact CG2-CD1 3.58Å |
| 18 | V | 41.6 | Very low | 35.6 | Very low | 56 Ų | 56 | 89 Ų | 89 | 34% | 0.339 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.2 | -37.3 | 177.8 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | T14 I15 V16 K22 I63 | T14-V18 HydrophobicContact CG2-CG2 4.4Å; T14-V18 WeakPolarHBondContact O-CB 3.48Å; T14-V18 WeakPolarHBondContact O-CG2 3.36Å; T14-V18 PolarHBondContact O-N 3.46Å; I15-V18 PolarHBondContact O-N 3.08Å; V16-V18 PolarHBondContact O-N 3.2Å; V18-K22 HydrophobicContact CG1-CD 4.43Å; V18-K22 WeakPolarHBondContact O-CB 3.28Å; V18-K22 WeakPolarHBondContact O-CG 3.43Å; V18-K22 PolarHBondContact O-N 2.85Å; V18-I63 HydrophobicContact CG1-CD1 4.49Å |
| 19 | Q | 34 | Very low | 35.6 | Very low | 109 Ų | 109 | 83.7 Ų | 83.7 | 51% | 0.509 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.8 | -43.1 | 176.2 | -80.3 | -177.7 | -27.7 | 0 | 0 | 111.7 | I15 V16 V17 L21 K22 I23 | I15-Q19 HydrophobicContact CG2-CG 4.19Å; I15-Q19 VanDerWaalsContact O-CB 3.28Å; I15-Q19 WeakPolarHBondContact O-CB 3.31Å; I15-Q19 VanDerWaalsContact O-CG 3.3Å; I15-Q19 WeakPolarHBondContact O-CG 3.5Å; I15-Q19 PolarHBondContact O-N 3.07Å; V16-Q19 PolarHBondContact O-N 2.87Å; V17-Q19 PolarHBondContact O-N 3Å; Q19-L21 VanDerWaalsContact C-N 3.33Å; Q19-L21 PolarHBondContact O-N 2.9Å; Q19-K22 PolarHBondContact O-N 2.61Å; Q19-I23 WeakPolarHBondContact O-CB 3.19Å; Q19-I23 WeakPolarHBondContact O-CD1 3.23Å; Q19-I23 WeakPolarHBondContact O-CG1 3.38Å; Q19-I23 PolarHBondContact O-N 3.3Å |
| 20 | V | 39 | Very low | 35.6 | Very low | 26 Ų | 26 | 81.8 Ų | 81.8 | 16% | 0.158 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 175.3 | 169.7 | 0 | 0 | 0 | 0 | 109.9 | V16 V17 K22 I23 L24 I105 | V16-V20 HydrophobicContact CG1-CG2 4.3Å; V16-V20 WeakPolarHBondContact O-CB 3.33Å; V16-V20 WeakPolarHBondContact O-CG2 3.3Å; V16-V20 PolarHBondContact O-N 3.28Å; V17-V20 PolarHBondContact O-N 3.35Å; V20-K22 VanDerWaalsContact C-N 3.33Å; V20-K22 PolarHBondContact O-N 3.13Å; V20-I23 PolarHBondContact O-N 3.04Å; V20-L24 HydrophobicContact CG1-CD1 3.69Å; V20-L24 WeakPolarHBondContact O-CD1 2.82Å; V20-L24 WeakPolarHBondContact O-CG 3.35Å; V20-L24 PolarHBondContact O-N 3.31Å; V20-I105 HydrophobicContact CG1-CB 4.24Å; V20-I105 HydrophobicContact CG1-CD1 4.34Å; V20-I105 HydrophobicContact CG1-CG2 3.36Å |
| 21 | L | 41.7 | Very low | 35.4 | Very low | 60 Ų | 60 | 79.2 Ų | 79.2 | 31% | 0.314 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.7 | -35.8 | 175.9 | -68.2 | 170 | 0 | 0 | 0 | 113.1 | V17 Q19 L24 V29 | V17-L21 HydrophobicContact CG1-CD1 3.98Å; V17-L21 WeakPolarHBondContact O-CB 3.44Å; V17-L21 VanDerWaalsContact O-CG 3.23Å; V17-L21 WeakPolarHBondContact O-CG 3.48Å; V17-L21 PolarHBondContact O-N 3.24Å; Q19-L21 VanDerWaalsContact C-N 3.33Å; Q19-L21 PolarHBondContact O-N 2.9Å; L21-L24 PolarHBondContact O-N 3.32Å; L21-V29 HydrophobicContact CD2-CB 3.93Å; L21-V29 HydrophobicContact CD2-CG1 4.33Å; L21-V29 HydrophobicContact CD2-CG2 3.63Å |
| 22 | K | 34.8 | Very low | 35.2 | Very low | 130 Ų | 130 | 82.4 Ų | 82.4 | 57% | 0.565 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -69.4 | -36.6 | 173.7 | -80.3 | -178.1 | 177.2 | -176.5 | 0 | 113.2 | V18 Q19 V20 L24 | V18-K22 HydrophobicContact CG1-CD 4.43Å; V18-K22 WeakPolarHBondContact O-CB 3.28Å; V18-K22 WeakPolarHBondContact O-CG 3.43Å; V18-K22 PolarHBondContact O-N 2.85Å; Q19-K22 PolarHBondContact O-N 2.61Å; V20-K22 VanDerWaalsContact C-N 3.33Å; V20-K22 PolarHBondContact O-N 3.13Å; K22-L24 PolarHBondContact O-N 2.99Å |
| 23 | I | 31.3 | Very low | 35.1 | Very low | 116 Ų | 116 | 84.3 Ų | 84.3 | 60% | 0.595 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -69 | -19.1 | 178.2 | -69.7 | 162.3 | 0 | 0 | 0 | 111.6 | Q19 V20 K109 | Q19-I23 WeakPolarHBondContact O-CB 3.19Å; Q19-I23 WeakPolarHBondContact O-CD1 3.23Å; Q19-I23 WeakPolarHBondContact O-CG1 3.38Å; Q19-I23 PolarHBondContact O-N 3.3Å; V20-I23 PolarHBondContact O-N 3.04Å; I23-K109 PolarHBondContact O-NZ 3.38Å |
| 24 | L | 35.5 | Very low | 34.8 | Very low | 16 Ų | 16 | 85.1 Ų | 85.1 | 8% | 0.084 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -12.6 | -174.3 | -68.6 | 159.1 | 0 | 0 | 0 | 114.5 | V20 L21 K22 W26 I105 K109 | V20-L24 HydrophobicContact CG1-CD1 3.69Å; V20-L24 WeakPolarHBondContact O-CD1 2.82Å; V20-L24 WeakPolarHBondContact O-CG 3.35Å; V20-L24 PolarHBondContact O-N 3.31Å; L21-L24 PolarHBondContact O-N 3.32Å; K22-L24 PolarHBondContact O-N 2.99Å; L24-W26 HydrophobicContact CB-CB 4.15Å; L24-W26 HydrophobicContact CB-CD2 4.04Å; L24-W26 HydrophobicContact CB-CE3 3.81Å; L24-W26 HydrophobicContact CB-CG 4.21Å; L24-W26 HydrophobicContact CD1-CE3 3.66Å; L24-W26 HydrophobicContact CD1-CZ3 3.81Å; L24-W26 HydrophobicContact CD2-CE3 4.01Å; L24-W26 HydrophobicContact CD2-CH2 4.29Å; L24-W26 HydrophobicContact CD2-CZ3 3.9Å; L24-W26 HydrophobicContact CG-CE3 4.03Å; L24-W26 HydrophobicContact CG-CZ3 4.3Å; L24-W26 PolarHBondContact O-N 3.41Å; L24-I105 HydrophobicContact CD1-CG2 3.07Å; L24-I105 HydrophobicContact CD2-CG2 4.35Å; L24-I105 HydrophobicContact CG-CG2 4.3Å; L24-K109 HydrophobicContact CD2-CB 3.36Å; L24-K109 HydrophobicContact CD2-CD 3.42Å; L24-K109 VanDerWaalsContact CD2-CD 3.42Å; L24-K109 HydrophobicContact CD2-CG 3.35Å |
| 25 | D | 37 | Very low | 34.1 | Very low | 130 Ų | 130 | 88.9 Ų | 88.9 | 70% | 0.695 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 38.9 | 35.2 | -169.3 | -154 | 32.8 | 0 | 0 | 0 | 112.6 | P27 | D25-P27 VanDerWaalsContact O-CD 3.28Å; D25-P27 WeakPolarHBondContact O-CD 3.47Å |
| 26 | W | 34 | Very low | 33.8 | Very low | 74 Ų | 74 | 90.6 Ų | 90.6 | 28% | 0.28 | 46% | 0.461 | S | S | . | . | trans | -87.3 | 116.5 | -177.9 | -96.8 | -25.3 | 0 | 0 | 0 | 108.4 | L24 H28 V29 I105 Q108 | L24-W26 HydrophobicContact CB-CB 4.15Å; L24-W26 HydrophobicContact CB-CD2 4.04Å; L24-W26 HydrophobicContact CB-CE3 3.81Å; L24-W26 HydrophobicContact CB-CG 4.21Å; L24-W26 HydrophobicContact CD1-CE3 3.66Å; L24-W26 HydrophobicContact CD1-CZ3 3.81Å; L24-W26 HydrophobicContact CD2-CE3 4.01Å; L24-W26 HydrophobicContact CD2-CH2 4.29Å; L24-W26 HydrophobicContact CD2-CZ3 3.9Å; L24-W26 HydrophobicContact CG-CE3 4.03Å; L24-W26 HydrophobicContact CG-CZ3 4.3Å; L24-W26 PolarHBondContact O-N 3.41Å; W26-H28 PolarHBondContact O-N 3.28Å; W26-V29 HydrophobicContact CB-CG2 3.82Å; W26-V29 HydrophobicContact CD2-CG2 4.12Å; W26-V29 HydrophobicContact CE3-CG2 3.54Å; W26-V29 HydrophobicContact CG-CG2 4.29Å; W26-V29 HydrophobicContact CZ3-CG2 4.42Å; W26-I105 HydrophobicContact CZ3-CG2 4.14Å; W26-Q108 HydrophobicContact CH2-CB 3.62Å; W26-Q108 HydrophobicContact CZ2-CB 4.4Å | ||
| 27 | P | 34.7 | Very low | 33.2 | Very low | 84 Ų | 84 | 91.7 Ų | 91.7 | 55% | 0.545 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -72.9 | -6.6 | 170.4 | 19.4 | -13.1 | 0 | 0 | 0 | 112.1 | D25 | D25-P27 VanDerWaalsContact O-CD 3.28Å; D25-P27 WeakPolarHBondContact O-CD 3.47Å |
| 28 | H | 32.6 | Very low | 32.3 | Very low | 71 Ų | 71 | 93.5 Ų | 93.5 | 33% | 0.329 | 51% | 0.509 | S | S | . | . | trans | -144.9 | 66.8 | -160.5 | -62.9 | -44.5 | 0 | 0 | 0 | 112 | W26 A71 C75 | W26-H28 PolarHBondContact O-N 3.28Å; H28-A71 PolarHBondContact CE1-O 2.99Å; H28-A71 VanDerWaalsContact CE1-O 3.3Å; H28-A71 PolarHBondContact NE2-O 3Å; H28-A71 VanDerWaalsContact NE2-O 3.17Å; H28-C75 WeakPolarHBondContact CB-SG 3.4Å; H28-C75 WeakPolarHBondContact ND1-CB 3.15Å; H28-C75 PolarHBondContact ND1-SG 3.04Å | ||
| 29 | V | 32.8 | Very low | 31.5 | Very low | 47 Ų | 47 | 98.3 Ų | 98.3 | 29% | 0.285 | 53% | 0.533 | S | S | . | . | trans | -99 | 91.4 | 161.2 | -170.4 | 0 | 0 | 0 | 0 | 108 | L21 W26 L31 | L21-V29 HydrophobicContact CD2-CB 3.93Å; L21-V29 HydrophobicContact CD2-CG1 4.33Å; L21-V29 HydrophobicContact CD2-CG2 3.63Å; W26-V29 HydrophobicContact CB-CG2 3.82Å; W26-V29 HydrophobicContact CD2-CG2 4.12Å; W26-V29 HydrophobicContact CE3-CG2 3.54Å; W26-V29 HydrophobicContact CG-CG2 4.29Å; W26-V29 HydrophobicContact CZ3-CG2 4.42Å; V29-L31 VanDerWaalsContact C-N 3.34Å; V29-L31 HydrophobicContact CG1-CD2 3.92Å; V29-L31 HydrophobicContact CG1-CG 3.87Å; V29-L31 PolarHBondContact O-N 3.05Å | ||
| 30 | C | 31.2 | Very low | 31 | Very low | 60 Ų | 60 | 98.5 Ų | 98.5 | 41% | 0.405 | 55% | 0.546 | S | S | . | . | trans | -70.3 | 93.4 | 165.4 | -72.1 | 0 | 0 | 0 | 0 | 108.2 | Y32 | C30-Y32 HydrophobicContact CB-CD2 4.35Å; C30-Y32 HydrophobicContact CB-CE2 3.72Å; C30-Y32 VanDerWaalsContact O-CD2 3.3Å; C30-Y32 WeakPolarHBondContact O-CD2 3.21Å; C30-Y32 PolarHBondContact O-N 3Å | ||
| 31 | L | 32.9 | Very low | 30.3 | Very low | 58 Ų | 58 | 102.4 Ų | 102.4 | 30% | 0.304 | 58% | 0.575 | S | S | . | * | trans | -78.9 | 110.4 | 171.5 | -70.2 | 169.2 | 0 | 0 | 0 | 107.6 | V29 I90 T101 | V29-L31 VanDerWaalsContact C-N 3.34Å; V29-L31 HydrophobicContact CG1-CD2 3.92Å; V29-L31 HydrophobicContact CG1-CG 3.87Å; V29-L31 PolarHBondContact O-N 3.05Å; L31-I90 HydrophobicContact CB-CB 4.47Å; L31-I90 HydrophobicContact CB-CD1 3.11Å; L31-I90 HydrophobicContact CB-CG1 4.32Å; L31-I90 HydrophobicContact CD1-CB 3.94Å; L31-I90 HydrophobicContact CD1-CD1 4.03Å; L31-I90 HydrophobicContact CD1-CG2 4.09Å; L31-I90 HydrophobicContact CG-CD1 4.2Å; L31-I90 WeakPolarHBondContact O-CD1 3.43Å; L31-T101 HydrophobicContact CD2-CG2 4.37Å | ||
| 32 | Y | 28.4 | Very low | 29.5 | Very low | 198 Ų | 198 | 104.3 Ų | 104.3 | 78% | 0.776 | 59% | 0.593 | S | S | * | * | trans | -83.3 | 129.5 | 176.5 | -69 | -91.2 | 0 | 0 | 0 | 110.1 | C30 S34 | C30-Y32 HydrophobicContact CB-CD2 4.35Å; C30-Y32 HydrophobicContact CB-CE2 3.72Å; C30-Y32 VanDerWaalsContact O-CD2 3.3Å; C30-Y32 WeakPolarHBondContact O-CD2 3.21Å; C30-Y32 PolarHBondContact O-N 3Å; Y32-S34 PolarHBondContact O-N 3.44Å; Y32-S34 VanDerWaalsContact O-N 3.12Å | ||
| 33 | K | 30.7 | Very low | 29.1 | Very low | 179 Ų | 179 | 108.5 Ų | 108.5 | 78% | 0.778 | 61% | 0.612 | S | S | * | * | trans | -75.2 | 96.8 | 171.9 | -173 | 179 | -177.7 | 179.3 | 0 | 109 | Q35 | K33-Q35 PolarHBondContact O-N 2.7Š| ||
| 34 | S | 27.9 | Very low | 28.9 | Very low | 99 Ų | 99 | 108.2 Ų | 108.2 | 69% | 0.692 | 62% | 0.618 | S | S | * | * | trans | -78.4 | 110.2 | 163.9 | -169.9 | 0 | 0 | 0 | 0 | 108.4 | Y32 L36 | Y32-S34 PolarHBondContact O-N 3.44Å; Y32-S34 VanDerWaalsContact O-N 3.12Å; S34-L36 VanDerWaalsContact C-N 3.29Å; S34-L36 PolarHBondContact O-N 3.39Å | ||
| 35 | Q | 25.9 | Very low | 28.5 | Very low | 167 Ų | 167 | 113.1 Ų | 113.1 | 78% | 0.78 | 65% | 0.65 | S | S | * | * | trans | -69.5 | 90 | 167.8 | -84.5 | -175.7 | -16.2 | 0 | 0 | 108.4 | K33 G37 | K33-Q35 PolarHBondContact O-N 2.7Å; Q35-G37 VanDerWaalsContact C-N 3.3Å; Q35-G37 PolarHBondContact O-N 2.8Å | ||
| 36 | L | 26.6 | Very low | 28.6 | Very low | 132 Ų | 132 | 118.8 Ų | 118.8 | 69% | 0.691 | 66% | 0.662 | S | S | * | * | trans | -73.6 | 88.9 | 163.5 | -86.8 | 159.9 | 0 | 0 | 0 | 109 | S34 | S34-L36 VanDerWaalsContact C-N 3.29Å; S34-L36 PolarHBondContact O-N 3.39Å | ||
| 37 | G | 22.2 | Very low | 28.1 | Very low | 78 Ų | 78 | 124.1 Ų | 124.1 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | trans | 67.4 | 121.2 | 145.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | Q35 | Q35-G37 VanDerWaalsContact C-N 3.3Å; Q35-G37 PolarHBondContact O-N 2.8Å | ||
| 38 | G | 24.2 | Very low | 27.8 | Very low | 74 Ų | 74 | 124.9 Ų | 124.9 | 76% | 0.763 | 70% | 0.704 | S | S | * | * | trans | 156.7 | 71.5 | 156.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 39 | N | 23.5 | Very low | 27.4 | Very low | 156 Ų | 156 | 128 Ų | 128 | 83% | 0.834 | 72% | 0.723 | S | S | * | * | trans | 51.7 | 122.3 | 149.6 | -64.2 | -1.5 | 0 | 0 | 0 | 121.3 | ||||
| 40 | S | 24.8 | Very low | 27 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | 71.3 | 116.1 | 135.1 | 58.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 41 | S | 24.5 | Very low | 26.7 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | 94.4 | 110.1 | 134.5 | -144.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 42 | S | 23.7 | Very low | 26.4 | Very low | 101 Ų | 101 | 143.2 Ų | 143.2 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | 60.8 | 95.4 | 137.8 | -40.8 | 0 | 0 | 0 | 0 | 117.9 | P44 | S42-P44 WeakPolarHBondContact O-CD 3.08Š| ||
| 43 | F | 26.6 | Very low | 26.2 | Very low | 217 Ų | 217 | 138.7 Ų | 138.7 | 95% | 0.952 | 78% | 0.781 | S | S | * | * | trans | -87.1 | 126.9 | 155.2 | -78.2 | -87.7 | 0 | 0 | 0 | 110.1 | ||||
| 44 | P | 28.4 | Very low | 26.1 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | trans | -113.7 | 168.3 | 150.1 | 34.7 | -21.3 | 0 | 0 | 0 | 110.9 | S42 | S42-P44 WeakPolarHBondContact O-CD 3.08Š| ||
| 45 | P | 26.5 | Very low | 25.9 | Very low | 119 Ų | 119 | 142 Ų | 142 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -87 | 152.8 | -144.3 | 34.3 | -34.2 | 0 | 0 | 0 | 114.8 | ||||
| 46 | R | 38.6 | Very low | 25.8 | Very low | 249 Ų | 249 | 138.8 Ų | 138.8 | 94% | 0.94 | 79% | 0.79 | S | S | * | * | trans | 2.4 | 108.1 | 154.1 | -157.9 | 174.7 | -174.1 | 161 | 1.1 | 117.3 | ||||
| 47 | E | 23.1 | Very low | 25.7 | Very low | 186 Ų | 186 | 139.4 Ų | 139.4 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -154.8 | 115.7 | 150.5 | -100 | -177.2 | 111.6 | 0 | 0 | 109 | ||||
| 48 | A | 28.1 | Very low | 25.9 | Very low | 100 Ų | 100 | 144.8 Ų | 144.8 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | 176 | 98.9 | 146.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 49 | D | 24.5 | Very low | 26 | Very low | 137 Ų | 137 | 151.3 Ų | 151.3 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | trans | -38.5 | 150 | 162.9 | -70.6 | -92.8 | 0 | 0 | 0 | 115.1 | ||||
| 50 | E | 24.8 | Very low | 26.1 | Very low | 170 Ų | 170 | 149.8 Ų | 149.8 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | 37 | 107.4 | 144.9 | -65.1 | -175.7 | 101.8 | 0 | 0 | 118.2 | ||||
| 51 | Q | 25.4 | Very low | 26.2 | Very low | 171 Ų | 171 | 150 Ų | 150 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | trans | -152.4 | 85.4 | 130.4 | -112.3 | 174 | 93.2 | 0 | 0 | 110.7 | I53 | Q51-I53 VanDerWaalsContact C-N 3.33Å; Q51-I53 HydrophobicContact CG-CD1 4.04Å; Q51-I53 HydrophobicContact CG-CG1 4.13Å; Q51-I53 PolarHBondContact O-N 3.48Å; Q51-I53 VanDerWaalsContact O-N 3.12Å; Q51-I53 VanDerWaalsContact OE1-CD1 3.24Å | ||
| 52 | V | 26 | Very low | 26.4 | Very low | 143 Ų | 143 | 148.7 Ų | 148.7 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -67.8 | 94.6 | 153.5 | 177.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 53 | I | 25.1 | Very low | 26.6 | Very low | 102 Ų | 102 | 149 Ų | 149 | 52% | 0.523 | 78% | 0.779 | S | S | . | * | trans | -127.3 | 104.9 | 161.6 | -54.9 | -178.3 | 0 | 0 | 0 | 108 | Q51 R55 | Q51-I53 VanDerWaalsContact C-N 3.33Å; Q51-I53 HydrophobicContact CG-CD1 4.04Å; Q51-I53 HydrophobicContact CG-CG1 4.13Å; Q51-I53 PolarHBondContact O-N 3.48Å; Q51-I53 VanDerWaalsContact O-N 3.12Å; Q51-I53 VanDerWaalsContact OE1-CD1 3.24Å; I53-R55 HydrophobicContact CG2-CG 4.15Å; I53-R55 PolarHBondContact O-N 3.31Å | ||
| 54 | P | 27 | Very low | 26.6 | Very low | 114 Ų | 114 | 147.5 Ų | 147.5 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | trans | -74.4 | 95.8 | 169 | 30.5 | -28.2 | 0 | 0 | 0 | 107.5 | A56 | P54-A56 PolarHBondContact O-N 3.48Å; P54-A56 VanDerWaalsContact O-N 3.07Å | ||
| 55 | R | 23.7 | Very low | 26.7 | Very low | 233 Ų | 233 | 150.8 Ų | 150.8 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | -78 | 94.7 | 166.1 | -87.6 | -168.7 | 171.6 | 167.3 | 1 | 109.3 | I53 D57 | I53-R55 HydrophobicContact CG2-CG 4.15Å; I53-R55 PolarHBondContact O-N 3.31Å; R55-D57 VanDerWaalsContact C-N 3.26Å; R55-D57 PolarHBondContact O-N 2.99Å | ||
| 56 | A | 25.5 | Very low | 26.6 | Very low | 101 Ų | 101 | 156.6 Ų | 156.6 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | -56.5 | 84.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | P54 | P54-A56 PolarHBondContact O-N 3.48Å; P54-A56 VanDerWaalsContact O-N 3.07Å | ||
| 57 | D | 24.2 | Very low | 26.3 | Very low | 145 Ų | 145 | 149.4 Ų | 149.4 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | trans | -168.4 | 72 | 151.6 | -144.1 | -7.1 | 0 | 0 | 0 | 111.8 | R55 | R55-D57 VanDerWaalsContact C-N 3.26Å; R55-D57 PolarHBondContact O-N 2.99Å | ||
| 58 | R | 26.1 | Very low | 26.5 | Very low | 191 Ų | 191 | 144.7 Ų | 144.7 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 174.6 | 140.5 | 151.2 | -97.5 | 152.3 | -168.7 | 178.7 | 8.2 | 109.1 | T60 | R58-T60 PolarHBondContact O-N 3.41Å; R58-T60 PolarHBondContact O-OG1 2.99Å |
| 59 | K | 25.2 | Very low | 26.5 | Very low | 210 Ų | 210 | 145.7 Ų | 145.7 | 91% | 0.913 | 75% | 0.749 | S | S | * | * | trans | -53.9 | 73.4 | 176.6 | -64.5 | 176.7 | 173.7 | -177.6 | 0 | 112.9 | ||||
| 60 | T | 27.4 | Very low | 26.6 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 76% | 0.761 | 75% | 0.752 | S | S | * | * | trans | -97.1 | 85.1 | 165.7 | -40.7 | 0 | 0 | 0 | 0 | 106.1 | R58 A62 | R58-T60 PolarHBondContact O-N 3.41Å; R58-T60 PolarHBondContact O-OG1 2.99Å; T60-A62 PolarHBondContact O-N 3.47Å | ||
| 61 | T | 27.1 | Very low | 26.9 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 74% | 0.736 | 73% | 0.729 | S | S | * | * | trans | -72.5 | 90.8 | 163.3 | -46.1 | 0 | 0 | 0 | 0 | 105.9 | I63 | T61-I63 PolarHBondContact O-N 2.86Š| ||
| 62 | A | 27.7 | Very low | 27.2 | Very low | 78 Ų | 78 | 133.4 Ų | 133.4 | 65% | 0.645 | 72% | 0.718 | S | S | * | * | trans | -55.8 | 112.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | T60 E64 | T60-A62 PolarHBondContact O-N 3.47Å; A62-E64 VanDerWaalsContact C-N 3.25Å; A62-E64 PolarHBondContact O-N 2.94Å; A62-E64 VanDerWaalsContact O-N 3.08Å | ||
| 63 | I | 28.6 | Very low | 27.2 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 55% | 0.549 | 72% | 0.72 | S | S | . | * | trans | -80.1 | 87.1 | 170.8 | -57.7 | 176.3 | 0 | 0 | 0 | 105 | V18 T61 R65 | V18-I63 HydrophobicContact CG1-CD1 4.49Å; T61-I63 PolarHBondContact O-N 2.86Å; I63-R65 VanDerWaalsContact C-N 3.25Å; I63-R65 HydrophobicContact CG2-CB 4.23Å; I63-R65 PolarHBondContact O-N 3.48Å | ||
| 64 | E | 26.3 | Very low | 27.3 | Very low | 186 Ų | 186 | 129.1 Ų | 129.1 | 87% | 0.869 | 73% | 0.728 | S | S | * | * | trans | -66 | 90.5 | 161.7 | -75.5 | -170.1 | 139.5 | 0 | 0 | 107.6 | A62 | A62-E64 VanDerWaalsContact C-N 3.25Å; A62-E64 PolarHBondContact O-N 2.94Å; A62-E64 VanDerWaalsContact O-N 3.08Å | ||
| 65 | R | 30.2 | Very low | 27.4 | Very low | 180 Ų | 180 | 125.1 Ų | 125.1 | 68% | 0.679 | 70% | 0.702 | S | S | * | * | trans | -92.5 | 100.5 | 170.9 | -149.9 | 170.5 | 176.1 | 171.9 | -5.7 | 107.4 | I63 V67 | I63-R65 VanDerWaalsContact C-N 3.25Å; I63-R65 HydrophobicContact CG2-CB 4.23Å; I63-R65 PolarHBondContact O-N 3.48Å; R65-V67 PolarHBondContact O-N 3.35Å | ||
| 66 | R | 24.7 | Very low | 27.6 | Very low | 241 Ų | 241 | 121.6 Ų | 121.6 | 91% | 0.909 | 70% | 0.696 | S | S | * | * | trans | -54 | 110.2 | 165.2 | -77 | -175.3 | 177.4 | -161.3 | -1.6 | 107.8 | ||||
| 67 | V | 31.1 | Very low | 28 | Very low | 99 Ų | 99 | 119.4 Ų | 119.4 | 60% | 0.6 | 67% | 0.673 | S | S | * | * | trans | -71.5 | 130.3 | 169.9 | -162.1 | 0 | 0 | 0 | 0 | 106.7 | R65 S69 | R65-V67 PolarHBondContact O-N 3.35Å; V67-S69 PolarHBondContact O-N 3.49Å | ||
| 68 | P | 27.2 | Very low | 28.2 | Very low | 87 Ų | 87 | 117 Ų | 117 | 57% | 0.565 | 67% | 0.667 | S | S | * | * | trans | -60 | 124.5 | 168.4 | -16.7 | 29.4 | 0 | 0 | 0 | 108.1 | S70 A71 | P68-S70 PolarHBondContact O-N 3.37Å; P68-A71 PolarHBondContact O-N 3.29Å; P68-A71 VanDerWaalsContact O-N 3.16Å | ||
| 69 | S | 29.4 | Very low | 28.4 | Very low | 120 Ų | 120 | 114.5 Ų | 114.5 | 84% | 0.839 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -54.7 | -12.5 | -179.5 | -48.4 | 0 | 0 | 0 | 0 | 113.9 | V67 | V67-S69 PolarHBondContact O-N 3.49Š|
| 70 | S | 26.9 | Very low | 28.6 | Very low | 114 Ų | 114 | 110.8 Ų | 110.8 | 80% | 0.797 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -81.7 | -8 | -179.3 | 42 | 0 | 0 | 0 | 0 | 115.7 | P68 | P68-S70 PolarHBondContact O-N 3.37Š|
| 71 | A | 31.4 | Very low | 28.7 | Very low | 37 Ų | 37 | 111.9 Ų | 111.9 | 31% | 0.306 | 65% | 0.646 | S | S | . | * | G | 310 helix | trans | -102.9 | 2.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | H28 P68 G73 | H28-A71 PolarHBondContact CE1-O 2.99Å; H28-A71 VanDerWaalsContact CE1-O 3.3Å; H28-A71 PolarHBondContact NE2-O 3Å; H28-A71 VanDerWaalsContact NE2-O 3.17Å; P68-A71 PolarHBondContact O-N 3.29Å; P68-A71 VanDerWaalsContact O-N 3.16Å; A71-G73 PolarHBondContact O-N 3.23Å; A71-G73 VanDerWaalsContact O-N 3.09Å |
| 72 | A | 31 | Very low | 28.8 | Very low | 70 Ų | 70 | 115.3 Ų | 115.3 | 58% | 0.579 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 3.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | G74 | A72-G74 VanDerWaalsContact C-N 3.33Å; A72-G74 PolarHBondContact O-N 3.01Å |
| 73 | G | 25.9 | Very low | 28.7 | Very low | 87 Ų | 87 | 115.9 Ų | 115.9 | 90% | 0.897 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -5.2 | -175 | 0 | 0 | 0 | 0 | 0 | 116.3 | A71 | A71-G73 PolarHBondContact O-N 3.23Å; A71-G73 VanDerWaalsContact O-N 3.09Å |
| 74 | G | 27.1 | Very low | 28.7 | Very low | 68 Ų | 68 | 113.4 Ų | 113.4 | 70% | 0.701 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -135.1 | -11.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115.8 | A72 | A72-G74 VanDerWaalsContact C-N 3.33Å; A72-G74 PolarHBondContact O-N 3.01Å |
| 75 | C | 29.8 | Very low | 29 | Very low | 29 Ų | 29 | 112.7 Ų | 112.7 | 20% | 0.196 | 66% | 0.663 | C | S | . | * | trans | -103.8 | 92.3 | 161.6 | -93.7 | 0 | 0 | 0 | 0 | 106.6 | H28 P77 | H28-C75 WeakPolarHBondContact CB-SG 3.4Å; H28-C75 WeakPolarHBondContact ND1-CB 3.15Å; H28-C75 PolarHBondContact ND1-SG 3.04Å; C75-P77 WeakPolarHBondContact O-CD 3.43Å | ||
| 76 | Q | 27.9 | Very low | 29.1 | Very low | 160 Ų | 160 | 112.1 Ų | 112.1 | 75% | 0.748 | 67% | 0.668 | S | S | * | * | trans | -84.1 | 95.5 | 155.9 | -157 | 179.4 | -24.8 | 0 | 0 | 105.5 | S78 | Q76-S78 PolarHBondContact O-N 3.37Å; Q76-S78 VanDerWaalsContact O-N 3.13Å | ||
| 77 | P | 33 | Very low | 29.5 | Very low | 55 Ų | 55 | 106 Ų | 106 | 36% | 0.357 | 66% | 0.659 | S | S | . | * | trans | -49.9 | 123.3 | 155 | 19.8 | -29 | 0 | 0 | 0 | 106 | C75 Y79 | C75-P77 WeakPolarHBondContact O-CD 3.43Å; P77-Y79 HydrophobicContact CB-CD1 4.5Å; P77-Y79 HydrophobicContact CB-CD2 3.52Å; P77-Y79 HydrophobicContact CB-CE1 4.34Å; P77-Y79 HydrophobicContact CB-CE2 3.35Å; P77-Y79 HydrophobicContact CB-CG 4.09Å; P77-Y79 HydrophobicContact CG-CD2 3.23Å; P77-Y79 HydrophobicContact CG-CE2 2.93Å; P77-Y79 HydrophobicContact CG-CG 4.26Å; P77-Y79 PolarHBondContact O-N 3.01Å | ||
| 78 | S | 28.8 | Very low | 29.6 | Very low | 93 Ų | 93 | 105.5 Ų | 105.5 | 65% | 0.65 | 67% | 0.666 | S | S | * | * | trans | -64.6 | 81.9 | 164.4 | 175.6 | 0 | 0 | 0 | 0 | 106.6 | Q76 | Q76-S78 PolarHBondContact O-N 3.37Å; Q76-S78 VanDerWaalsContact O-N 3.13Å | ||
| 79 | Y | 30.2 | Very low | 29.9 | Very low | 139 Ų | 139 | 105.8 Ų | 105.8 | 55% | 0.545 | 68% | 0.675 | S | S | . | * | trans | -79.4 | -1.8 | 170.3 | -79.2 | -59.6 | 0 | 0 | 0 | 111.1 | P77 H81 | P77-Y79 HydrophobicContact CB-CD1 4.5Å; P77-Y79 HydrophobicContact CB-CD2 3.52Å; P77-Y79 HydrophobicContact CB-CE1 4.34Å; P77-Y79 HydrophobicContact CB-CE2 3.35Å; P77-Y79 HydrophobicContact CB-CG 4.09Å; P77-Y79 HydrophobicContact CG-CD2 3.23Å; P77-Y79 HydrophobicContact CG-CE2 2.93Å; P77-Y79 HydrophobicContact CG-CG 4.26Å; P77-Y79 PolarHBondContact O-N 3.01Å; Y79-H81 PolarHBondContact O-N 3.26Å; Y79-H81 VanDerWaalsContact O-N 3.11Å | ||
| 80 | D | 28.1 | Very low | 30.2 | Very low | 132 Ų | 132 | 103.2 Ų | 103.2 | 71% | 0.706 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 5.3 | 178.1 | -77 | -57.4 | 0 | 0 | 0 | 114.3 | ||
| 81 | H | 31 | Very low | 30.6 | Very low | 148 Ų | 148 | 102.8 Ų | 102.8 | 69% | 0.685 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126 | -8.6 | 175.9 | -91.4 | 53.8 | 0 | 0 | 0 | 116.3 | Y79 | Y79-H81 PolarHBondContact O-N 3.26Å; Y79-H81 VanDerWaalsContact O-N 3.11Å |
| 82 | Y | 28 | Very low | 30.9 | Very low | 192 Ų | 192 | 103.3 Ų | 103.3 | 75% | 0.753 | 64% | 0.642 | S | S | * | * | trans | -148.9 | 98.8 | 179.7 | -69.1 | -82.8 | 0 | 0 | 0 | 110.1 | G84 | Y82-G84 PolarHBondContact O-N 2.72Š| ||
| 83 | G | 25.9 | Very low | 31.3 | Very low | 90 Ų | 90 | 105.7 Ų | 105.7 | 93% | 0.928 | 65% | 0.649 | S | S | * | * | trans | -61.2 | 119.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 84 | G | 29 | Very low | 31.8 | Very low | 55 Ų | 55 | 105.4 Ų | 105.4 | 57% | 0.567 | 63% | 0.627 | S | S | * | * | trans | 158.4 | 110.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y82 E86 | Y82-G84 PolarHBondContact O-N 2.72Å; G84-E86 PolarHBondContact O-N 3.13Å | ||
| 85 | D | 32.3 | Very low | 32.2 | Very low | 171 Ų | 171 | 105 Ų | 105 | 91% | 0.914 | 61% | 0.613 | S | S | * | * | trans | -50.7 | 99.8 | 160.3 | -92.9 | -95.6 | 0 | 0 | 0 | 110 | ||||
| 86 | E | 32.5 | Very low | 32.7 | Very low | 167 Ų | 167 | 111.3 Ų | 111.3 | 78% | 0.78 | 64% | 0.637 | S | S | * | * | S | Bend | trans | 179.2 | 141.1 | 141 | -98.4 | -162.7 | 127.1 | 0 | 0 | 110.7 | G84 A88 | G84-E86 PolarHBondContact O-N 3.13Å; E86-A88 PolarHBondContact O-N 3.07Å |
| 87 | P | 33.9 | Very low | 33.4 | Very low | 112 Ų | 112 | 106.7 Ų | 106.7 | 73% | 0.727 | 62% | 0.616 | S | S | * | * | trans | -69.9 | 116.2 | 174.2 | 28.2 | -31.6 | 0 | 0 | 0 | 110.1 | A89 | P87-A89 PolarHBondContact O-N 3.11Š| ||
| 88 | A | 31.8 | Very low | 34 | Very low | 90 Ų | 90 | 104.4 Ų | 104.4 | 74% | 0.744 | 60% | 0.6 | S | S | * | * | trans | -60.4 | 108.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | E86 I90 | E86-A88 PolarHBondContact O-N 3.07Å; A88-I90 PolarHBondContact O-N 3.05Å | ||
| 89 | A | 33.4 | Very low | 34.7 | Very low | 92 Ų | 92 | 101.7 Ų | 101.7 | 76% | 0.76 | 59% | 0.588 | S | S | * | * | trans | -65.9 | 119.3 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | P87 T91 | P87-A89 PolarHBondContact O-N 3.11Å; A89-T91 PolarHBondContact O-N 2.9Å | ||
| 90 | I | 36.2 | Very low | 35.5 | Very low | 67 Ų | 67 | 103.3 Ų | 103.3 | 34% | 0.344 | 59% | 0.593 | S | S | . | * | trans | -87.7 | 111.1 | -179.2 | -77 | 154.4 | 0 | 0 | 0 | 110 | L31 A88 L92 | L31-I90 HydrophobicContact CB-CB 4.47Å; L31-I90 HydrophobicContact CB-CD1 3.11Å; L31-I90 HydrophobicContact CB-CG1 4.32Å; L31-I90 HydrophobicContact CD1-CB 3.94Å; L31-I90 HydrophobicContact CD1-CD1 4.03Å; L31-I90 HydrophobicContact CD1-CG2 4.09Å; L31-I90 HydrophobicContact CG-CD1 4.2Å; L31-I90 WeakPolarHBondContact O-CD1 3.43Å; A88-I90 PolarHBondContact O-N 3.05Å; I90-L92 HydrophobicContact CG2-CD2 4.31Å; I90-L92 HydrophobicContact CG2-CG 4.06Å | ||
| 91 | T | 36 | Very low | 36.5 | Very low | 104 Ų | 104 | 98.5 Ų | 98.5 | 64% | 0.638 | 57% | 0.568 | S | S | * | * | trans | -92 | 99.7 | 172.4 | -51.1 | 0 | 0 | 0 | 0 | 107.7 | A89 T93 | A89-T91 PolarHBondContact O-N 2.9Å; T91-T93 HydrophobicContact CG2-CG2 3.89Å; T91-T93 PolarHBondContact O-N 3.21Å | ||
| 92 | L | 37.8 | Very low | 37.3 | Very low | 49 Ų | 49 | 93.3 Ų | 93.3 | 26% | 0.257 | 55% | 0.549 | S | S | . | . | trans | -74.8 | 103.9 | 170.9 | -71.4 | 165.6 | 0 | 0 | 0 | 108.5 | I90 L98 T101 | I90-L92 HydrophobicContact CG2-CD2 4.31Å; I90-L92 HydrophobicContact CG2-CG 4.06Å; L92-L98 HydrophobicContact CB-CB 4.37Å; L92-L98 HydrophobicContact CB-CD1 3.8Å; L92-L98 HydrophobicContact CD1-CD1 3.41Å; L92-L98 VanDerWaalsContact CD1-CD1 3.41Å; L92-L98 HydrophobicContact CG-CD1 4.23Å; L92-T101 HydrophobicContact CD1-CG2 3.89Å | ||
| 93 | T | 38 | Very low | 38.2 | Very low | 119 Ų | 119 | 87 Ų | 87 | 73% | 0.73 | 54% | 0.536 | S | S | * | . | trans | -92.4 | -13.4 | -175.7 | 49.1 | 0 | 0 | 0 | 0 | 114.1 | T91 | T91-T93 HydrophobicContact CG2-CG2 3.89Å; T91-T93 PolarHBondContact O-N 3.21Å | ||
| 94 | D | 36.6 | Very low | 39.3 | Very low | 81 Ų | 81 | 89.2 Ų | 89.2 | 43% | 0.433 | 52% | 0.517 | S | S | . | . | trans | -102.8 | 121.8 | 176.8 | -171.2 | -33.4 | 0 | 0 | 0 | 110.3 | K96 E97 L98 | D94-K96 VanDerWaalsContact C-N 3.28Å; D94-K96 PolarHBondContact O-N 3.42Å; D94-K96 WeakPolarHBondContact OD1-CB 3.38Å; D94-K96 PolarHBondContact OD1-N 3.1Å; D94-E97 HydrophobicContact CB-CB 3.98Å; D94-E97 HydrophobicContact CB-CG 3.91Å; D94-E97 PolarHBondContact O-N 3.38Å; D94-L98 WeakPolarHBondContact O-CB 3.41Å; D94-L98 PolarHBondContact O-N 3.12Å | ||
| 95 | S | 35.9 | Very low | 40.4 | Very low | 59 Ų | 59 | 87.3 Ų | 87.3 | 41% | 0.413 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.5 | -28.2 | -179 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | G99 | S95-G99 PolarHBondContact O-N 2.91Å |
| 96 | K | 41.3 | Very low | 41.1 | Very low | 162 Ų | 162 | 82.8 Ų | 82.8 | 70% | 0.704 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -74.6 | -43 | 175.3 | -71.8 | -176.8 | 178.9 | 179.1 | 0 | 110.7 | D94 L98 G99 R100 | D94-K96 VanDerWaalsContact C-N 3.28Å; D94-K96 PolarHBondContact O-N 3.42Å; D94-K96 WeakPolarHBondContact OD1-CB 3.38Å; D94-K96 PolarHBondContact OD1-N 3.1Å; K96-L98 VanDerWaalsContact C-N 3.32Å; K96-G99 PolarHBondContact O-N 3.5Å; K96-R100 WeakPolarHBondContact O-CG 3.25Å; K96-R100 PolarHBondContact O-N 3Å |
| 97 | E | 42 | Very low | 42 | Very low | 63 Ų | 63 | 79.4 Ų | 79.4 | 29% | 0.294 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 174.2 | -70.4 | -75.4 | 111.1 | 0 | 0 | 110.4 | D94 G99 R100 T101 | D94-E97 HydrophobicContact CB-CB 3.98Å; D94-E97 HydrophobicContact CB-CG 3.91Å; D94-E97 PolarHBondContact O-N 3.38Å; E97-G99 PolarHBondContact O-N 3.48Å; E97-R100 CarbonylContact O-C 3.56Å; E97-R100 WeakPolarHBondContact O-CB 3.36Å; E97-R100 PolarHBondContact O-N 3.11Å; E97-R100 VanDerWaalsContact O-N 3.14Å; E97-R100 IonicContact OE1-NH1 3.37Å; E97-R100 PolarHBondContact OE1-NH1 3.21Å; E97-T101 WeakPolarHBondContact O-CB 3.33Å; E97-T101 PolarHBondContact O-N 3.46Å; E97-T101 PolarHBondContact O-OG1 3.24Å |
| 98 | L | 46.1 | Very low | 42.7 | Very low | 7 Ų | 7 | 76.7 Ų | 76.7 | 4% | 0.037 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 176.5 | -174.8 | 63.6 | 0 | 0 | 0 | 113.3 | W13 V17 L92 D94 K96 R100 T101 S102 | W13-L98 HydrophobicContact CB-CD2 3.74Å; W13-L98 HydrophobicContact CD2-CD2 3.3Å; W13-L98 HydrophobicContact CE3-CD2 3.05Å; W13-L98 HydrophobicContact CE3-CG 3.99Å; W13-L98 HydrophobicContact CG-CD2 3.6Å; W13-L98 HydrophobicContact CH2-CD2 4.38Å; W13-L98 HydrophobicContact CZ3-CD2 3.63Å; W13-L98 HydrophobicContact CZ3-CG 4.24Å; V17-L98 HydrophobicContact CG2-CD1 3.58Å; L92-L98 HydrophobicContact CB-CB 4.37Å; L92-L98 HydrophobicContact CB-CD1 3.8Å; L92-L98 HydrophobicContact CD1-CD1 3.41Å; L92-L98 VanDerWaalsContact CD1-CD1 3.41Å; L92-L98 HydrophobicContact CG-CD1 4.23Å; D94-L98 WeakPolarHBondContact O-CB 3.41Å; D94-L98 PolarHBondContact O-N 3.12Å; K96-L98 VanDerWaalsContact C-N 3.32Å; L98-R100 VanDerWaalsContact C-N 3.33Å; L98-T101 PolarHBondContact O-N 2.97Å; L98-S102 WeakPolarHBondContact O-CB 3.11Å; L98-S102 PolarHBondContact O-N 3.3Å; L98-S102 PolarHBondContact O-OG 2.8Å |
| 99 | G | 42.5 | Very low | 43.4 | Very low | 37 Ų | 37 | 75 Ų | 75 | 38% | 0.381 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S95 K96 E97 S102 A103 | S95-G99 PolarHBondContact O-N 2.91Å; K96-G99 PolarHBondContact O-N 3.5Å; E97-G99 PolarHBondContact O-N 3.48Å; G99-S102 WeakPolarHBondContact CA-OG 3.28Å; G99-S102 PolarHBondContact O-OG 2.88Å; G99-A103 VanDerWaalsContact O-CB 3.32Å; G99-A103 WeakPolarHBondContact O-CB 3.41Å; G99-A103 PolarHBondContact O-N 3.28Å |
| 100 | R | 47.2 | Very low | 44 | Very low | 173 Ų | 173 | 75.1 Ų | 75.1 | 65% | 0.653 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -68.8 | -43.5 | 174.5 | -73.1 | 173.9 | 172.2 | 172.1 | -5.8 | 112.4 | K96 E97 L98 A103 Y104 | K96-R100 WeakPolarHBondContact O-CG 3.25Å; K96-R100 PolarHBondContact O-N 3Å; E97-R100 CarbonylContact O-C 3.56Å; E97-R100 WeakPolarHBondContact O-CB 3.36Å; E97-R100 PolarHBondContact O-N 3.11Å; E97-R100 VanDerWaalsContact O-N 3.14Å; E97-R100 IonicContact OE1-NH1 3.37Å; E97-R100 PolarHBondContact OE1-NH1 3.21Å; L98-R100 VanDerWaalsContact C-N 3.33Å; R100-A103 PolarHBondContact O-N 3.39Å; R100-Y104 WeakPolarHBondContact O-CB 3.35Å; R100-Y104 PolarHBondContact O-N 3.34Å |
| 101 | T | 48.4 | Very low | 44.4 | Very low | 31 Ų | 31 | 76.4 Ų | 76.4 | 19% | 0.19 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 179.6 | -54.7 | 0 | 0 | 0 | 0 | 110.8 | L31 L92 E97 L98 Y104 I105 | L31-T101 HydrophobicContact CD2-CG2 4.37Å; L92-T101 HydrophobicContact CD1-CG2 3.89Å; E97-T101 WeakPolarHBondContact O-CB 3.33Å; E97-T101 PolarHBondContact O-N 3.46Å; E97-T101 PolarHBondContact O-OG1 3.24Å; L98-T101 PolarHBondContact O-N 2.97Å; T101-Y104 PolarHBondContact O-N 3.37Å; T101-I105 HydrophobicContact CG2-CD1 3.76Å; T101-I105 HydrophobicContact CG2-CG1 4.44Å; T101-I105 VanDerWaalsContact O-CB 3.28Å; T101-I105 WeakPolarHBondContact O-CB 3.05Å; T101-I105 WeakPolarHBondContact O-CD1 3.3Å; T101-I105 WeakPolarHBondContact O-CG1 3.28Å; T101-I105 PolarHBondContact O-N 2.86Å |
| 102 | S | 48.2 | Very low | 44.8 | Very low | 39 Ų | 39 | 77.1 Ų | 77.1 | 27% | 0.273 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.7 | -43.8 | 175.5 | 52.7 | 0 | 0 | 0 | 0 | 112.5 | L98 G99 I105 V106 | L98-S102 WeakPolarHBondContact O-CB 3.11Å; L98-S102 PolarHBondContact O-N 3.3Å; L98-S102 PolarHBondContact O-OG 2.8Å; G99-S102 WeakPolarHBondContact CA-OG 3.28Å; G99-S102 PolarHBondContact O-OG 2.88Å; S102-I105 PolarHBondContact O-N 3.27Å; S102-V106 WeakPolarHBondContact O-CG2 3.33Å; S102-V106 PolarHBondContact O-N 2.82Å |
| 103 | A | 47.1 | Very low | 45.2 | Very low | 59 Ų | 59 | 79.1 Ų | 79.1 | 49% | 0.488 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G99 R100 I105 V106 E107 | G99-A103 VanDerWaalsContact O-CB 3.32Å; G99-A103 WeakPolarHBondContact O-CB 3.41Å; G99-A103 PolarHBondContact O-N 3.28Å; R100-A103 PolarHBondContact O-N 3.39Å; A103-I105 VanDerWaalsContact C-N 3.33Å; A103-I105 PolarHBondContact O-N 2.95Å; A103-V106 PolarHBondContact O-N 3Å; A103-E107 WeakPolarHBondContact O-CB 3.27Å; A103-E107 PolarHBondContact O-N 2.67Å |
| 104 | Y | 49.3 | Very low | 45.4 | Very low | 136 Ų | 136 | 78.9 Ų | 78.9 | 53% | 0.533 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 176 | 179.2 | -99.1 | 0 | 0 | 0 | 111.1 | R100 T101 V106 E107 Q108 | R100-Y104 WeakPolarHBondContact O-CB 3.35Å; R100-Y104 PolarHBondContact O-N 3.34Å; T101-Y104 PolarHBondContact O-N 3.37Å; Y104-V106 PolarHBondContact O-N 3.06Å; Y104-E107 WeakPolarHBondContact O-CB 3.5Å; Y104-E107 PolarHBondContact O-N 3.44Å; Y104-Q108 HydrophobicContact CD1-CG 4.04Å; Y104-Q108 HydrophobicContact CD2-CG 4.46Å; Y104-Q108 HydrophobicContact CE1-CG 3.68Å; Y104-Q108 HydrophobicContact CE2-CG 4.14Å; Y104-Q108 VanDerWaalsContact CE2-NE2 3.32Å; Y104-Q108 HydrophobicContact CG-CG 4.42Å; Y104-Q108 WeakPolarHBondContact O-CB 3.47Å; Y104-Q108 VanDerWaalsContact O-CG 3.27Å; Y104-Q108 WeakPolarHBondContact O-CG 3.41Å; Y104-Q108 PolarHBondContact O-N 3.33Å |
| 105 | I | 51 | Low | 45.5 | Very low | 16 Ų | 16 | 81.3 Ų | 81.3 | 8% | 0.082 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 177.1 | -75.7 | 165.6 | 0 | 0 | 0 | 111.6 | V20 L24 W26 T101 S102 A103 E107 Q108 K109 | V20-I105 HydrophobicContact CG1-CB 4.24Å; V20-I105 HydrophobicContact CG1-CD1 4.34Å; V20-I105 HydrophobicContact CG1-CG2 3.36Å; L24-I105 HydrophobicContact CD1-CG2 3.07Å; L24-I105 HydrophobicContact CD2-CG2 4.35Å; L24-I105 HydrophobicContact CG-CG2 4.3Å; W26-I105 HydrophobicContact CZ3-CG2 4.14Å; T101-I105 HydrophobicContact CG2-CD1 3.76Å; T101-I105 HydrophobicContact CG2-CG1 4.44Å; T101-I105 VanDerWaalsContact O-CB 3.28Å; T101-I105 WeakPolarHBondContact O-CB 3.05Å; T101-I105 WeakPolarHBondContact O-CD1 3.3Å; T101-I105 WeakPolarHBondContact O-CG1 3.28Å; T101-I105 PolarHBondContact O-N 2.86Å; S102-I105 PolarHBondContact O-N 3.27Å; A103-I105 VanDerWaalsContact C-N 3.33Å; A103-I105 PolarHBondContact O-N 2.95Å; I105-E107 VanDerWaalsContact C-N 3.32Å; I105-E107 PolarHBondContact O-N 3.5Å; I105-Q108 PolarHBondContact O-N 3.39Å; I105-K109 PolarHBondContact O-N 3.46Å |
| 106 | V | 48.9 | Very low | 45.5 | Very low | 76 Ų | 76 | 84 Ų | 84 | 46% | 0.461 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.1 | -40.5 | 176 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | S102 A103 Y104 K109 N110 | S102-V106 WeakPolarHBondContact O-CG2 3.33Å; S102-V106 PolarHBondContact O-N 2.82Å; A103-V106 PolarHBondContact O-N 3Å; Y104-V106 PolarHBondContact O-N 3.06Å; V106-K109 WeakPolarHBondContact O-CB 3.32Å; V106-K109 PolarHBondContact O-N 3.43Å; V106-N110 PolarHBondContact O-N 2.9Å |
| 107 | E | 50.3 | Low | 45.6 | Very low | 95 Ų | 95 | 86.7 Ų | 86.7 | 44% | 0.444 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 176.6 | -168.6 | -167.4 | 162.1 | 0 | 0 | 111.6 | A103 Y104 I105 K109 N110 K111 | A103-E107 WeakPolarHBondContact O-CB 3.27Å; A103-E107 PolarHBondContact O-N 2.67Å; Y104-E107 WeakPolarHBondContact O-CB 3.5Å; Y104-E107 PolarHBondContact O-N 3.44Å; I105-E107 VanDerWaalsContact C-N 3.32Å; I105-E107 PolarHBondContact O-N 3.5Å; E107-K109 VanDerWaalsContact C-N 3.33Å; E107-K109 PolarHBondContact O-N 2.92Å; E107-N110 PolarHBondContact O-N 2.76Å; E107-K111 WeakPolarHBondContact O-CG 3.49Å; E107-K111 PolarHBondContact O-N 3.36Å; E107-K111 VanDerWaalsContact OE1-CE 3.28Å; E107-K111 WeakPolarHBondContact OE1-CE 3.45Å; E107-K111 IonicContact OE1-NZ 2.67Å; E107-K111 PolarHBondContact OE1-NZ 2.82Å |
| 108 | Q | 47.8 | Very low | 45.5 | Very low | 56 Ų | 56 | 92.7 Ų | 92.7 | 26% | 0.262 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.7 | -36 | 177.1 | -66.6 | -55 | -36.6 | 0 | 0 | 111.8 | W26 Y104 I105 K111 F112 | W26-Q108 HydrophobicContact CH2-CB 3.62Å; W26-Q108 HydrophobicContact CZ2-CB 4.4Å; Y104-Q108 HydrophobicContact CD1-CG 4.04Å; Y104-Q108 HydrophobicContact CD2-CG 4.46Å; Y104-Q108 HydrophobicContact CE1-CG 3.68Å; Y104-Q108 HydrophobicContact CE2-CG 4.14Å; Y104-Q108 VanDerWaalsContact CE2-NE2 3.32Å; Y104-Q108 HydrophobicContact CG-CG 4.42Å; Y104-Q108 WeakPolarHBondContact O-CB 3.47Å; Y104-Q108 VanDerWaalsContact O-CG 3.27Å; Y104-Q108 WeakPolarHBondContact O-CG 3.41Å; Y104-Q108 PolarHBondContact O-N 3.33Å; I105-Q108 PolarHBondContact O-N 3.39Å; Q108-K111 PolarHBondContact O-N 3.01Å; Q108-F112 PolarHBondContact O-N 3.37Å |
| 109 | K | 46.9 | Very low | 45.5 | Very low | 54 Ų | 54 | 97 Ų | 97 | 24% | 0.235 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -59 | -51.6 | 171.3 | -171.3 | -171.4 | 175 | 70.2 | 0 | 111.1 | I23 L24 I105 V106 E107 K111 F112 D113 | I23-K109 PolarHBondContact O-NZ 3.38Å; L24-K109 HydrophobicContact CD2-CB 3.36Å; L24-K109 HydrophobicContact CD2-CD 3.42Å; L24-K109 VanDerWaalsContact CD2-CD 3.42Å; L24-K109 HydrophobicContact CD2-CG 3.35Å; I105-K109 PolarHBondContact O-N 3.46Å; V106-K109 WeakPolarHBondContact O-CB 3.32Å; V106-K109 PolarHBondContact O-N 3.43Å; E107-K109 VanDerWaalsContact C-N 3.33Å; E107-K109 PolarHBondContact O-N 2.92Å; K109-K111 PolarHBondContact O-N 3.06Å; K109-F112 PolarHBondContact O-N 3.22Å; K109-D113 VanDerWaalsContact CE-OD2 3.29Å; K109-D113 WeakPolarHBondContact CE-OD2 3.43Å; K109-D113 WeakPolarHBondContact CG-OD2 3.48Å; K109-D113 IonicContact NZ-OD2 3.74Å; K109-D113 PolarHBondContact O-N 3.37Å |
| 110 | N | 45.7 | Very low | 45.6 | Very low | 95 Ų | 95 | 100.2 Ų | 100.2 | 51% | 0.508 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.7 | -37.1 | -178.6 | -80.2 | -16.9 | 0 | 0 | 0 | 111.4 | V106 E107 T114 | V106-N110 PolarHBondContact O-N 2.9Å; E107-N110 PolarHBondContact O-N 2.76Å; N110-T114 WeakPolarHBondContact O-CB 3.19Å; N110-T114 VanDerWaalsContact O-CG2 3.31Å; N110-T114 WeakPolarHBondContact O-CG2 3.43Å; N110-T114 PolarHBondContact O-N 2.87Å; N110-T114 VanDerWaalsContact O-N 3.13Å; N110-T114 PolarHBondContact O-OG1 3.14Å |
| 111 | K | 44.8 | Very low | 45.5 | Very low | 93 Ų | 93 | 96.1 Ų | 96.1 | 40% | 0.404 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 174.1 | -73 | 174.6 | -175 | 169.1 | 0 | 112.4 | E107 Q108 K109 T114 Q115 | E107-K111 WeakPolarHBondContact O-CG 3.49Å; E107-K111 PolarHBondContact O-N 3.36Å; E107-K111 VanDerWaalsContact OE1-CE 3.28Å; E107-K111 WeakPolarHBondContact OE1-CE 3.45Å; E107-K111 IonicContact OE1-NZ 2.67Å; E107-K111 PolarHBondContact OE1-NZ 2.82Å; Q108-K111 PolarHBondContact O-N 3.01Å; K109-K111 PolarHBondContact O-N 3.06Å; K111-T114 PolarHBondContact O-OG1 3.12Å; K111-Q115 WeakPolarHBondContact O-CG 3.46Å; K111-Q115 PolarHBondContact O-N 3.4Å |
| 112 | F | 45.6 | Very low | 45.3 | Very low | 120 Ų | 120 | 99.9 Ų | 99.9 | 53% | 0.526 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.1 | -45.2 | 178.2 | -172.4 | -94.9 | 0 | 0 | 0 | 112.1 | Q108 K109 T114 Q115 | Q108-F112 PolarHBondContact O-N 3.37Å; K109-F112 PolarHBondContact O-N 3.22Å; F112-T114 PolarHBondContact O-N 2.96Å; F112-Q115 PolarHBondContact O-N 3.3Å |
| 113 | D | 44.8 | Very low | 45.2 | Very low | 91 Ų | 91 | 103.8 Ų | 103.8 | 49% | 0.487 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.4 | -22.5 | 179.1 | -78.7 | -32.2 | 0 | 0 | 0 | 112.9 | K109 | K109-D113 VanDerWaalsContact CE-OD2 3.29Å; K109-D113 WeakPolarHBondContact CE-OD2 3.43Å; K109-D113 WeakPolarHBondContact CG-OD2 3.48Å; K109-D113 IonicContact NZ-OD2 3.74Å; K109-D113 PolarHBondContact O-N 3.37Å |
| 114 | T | 43.3 | Very low | 45 | Very low | 113 Ų | 113 | 106.7 Ų | 106.7 | 69% | 0.693 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -5 | 179.1 | 50.4 | 0 | 0 | 0 | 0 | 114.2 | N110 K111 F112 | N110-T114 WeakPolarHBondContact O-CB 3.19Å; N110-T114 VanDerWaalsContact O-CG2 3.31Å; N110-T114 WeakPolarHBondContact O-CG2 3.43Å; N110-T114 PolarHBondContact O-N 2.87Å; N110-T114 VanDerWaalsContact O-N 3.13Å; N110-T114 PolarHBondContact O-OG1 3.14Å; K111-T114 PolarHBondContact O-OG1 3.12Å; F112-T114 PolarHBondContact O-N 2.96Å |
| 115 | Q | 38.4 | Very low | 44.7 | Very low | 133 Ų | 133 | 104.6 Ų | 104.6 | 62% | 0.621 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -78.6 | 135.1 | 172.2 | -78.9 | -173.2 | 2.3 | 0 | 0 | 111 | K111 F112 R117 | K111-Q115 WeakPolarHBondContact O-CG 3.46Å; K111-Q115 PolarHBondContact O-N 3.4Å; F112-Q115 PolarHBondContact O-N 3.3Å; Q115-R117 PolarHBondContact O-N 3.03Å |
| 116 | P | 35.4 | Very low | 44.3 | Very low | 114 Ų | 114 | 111.5 Ų | 111.5 | 74% | 0.74 | 58% | 0.579 | S | S | * | * | trans | -62.1 | 124.8 | 173.4 | 25 | -30.6 | 0 | 0 | 0 | 108.8 | S118 | P116-S118 PolarHBondContact O-N 3.27Š| ||
| 117 | R | 42.9 | Very low | 43.9 | Very low | 220 Ų | 220 | 114.4 Ų | 114.4 | 83% | 0.83 | 59% | 0.589 | S | S | * | * | trans | -71 | 100.9 | 172.9 | -67.9 | -177.6 | 174.1 | -172.7 | -2.1 | 107.7 | Q115 | Q115-R117 PolarHBondContact O-N 3.03Š| ||
| 118 | S | 40.6 | Very low | 43.3 | Very low | 189 Ų | 189 | 116.2 Ų | 116.2 | 100% | 1.322 | 60% | 0.603 | S | S | * | * | trans | -68.9 | 0 | 170.7 | -60.9 | 0 | 0 | 0 | 0 | 112 | P116 | P116-S118 PolarHBondContact O-N 3.27Š|
Retrieved 118 of 118 residues in 116.3 ms
(Link to these results)