| 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 | 30.3 | Very low | 34.3 | Very low | 236 Ų | 236 | 150.5 Ų | 150.5 | 100% | 1.163 | 79% | 0.785 | S | S | * | * | 0 | 121.2 | 0 | -82.7 | -178.7 | 164.8 | 0 | 0 | 108 | L3 | M1-L3 PolarHBondContact O-N 3.48Š| |||
| 2 | P | 30 | Very low | 34.8 | Very low | 128 Ų | 128 | 145.3 Ų | 145.3 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | trans | -72.6 | 129.3 | 177.6 | 29.3 | -29.2 | 0 | 0 | 0 | 109.2 | R4 | P2-R4 PolarHBondContact O-N 3.3Å; P2-R4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | L | 28.8 | Very low | 36.8 | Very low | 174 Ų | 174 | 138.7 Ų | 138.7 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | trans | -56.3 | 112.9 | 174.1 | -78.6 | 125.2 | 0 | 0 | 0 | 109.3 | M1 R5 | M1-L3 PolarHBondContact O-N 3.48Å; L3-R5 PolarHBondContact O-N 3.13Å | ||
| 4 | R | 32.1 | Very low | 39.6 | Very low | 235 Ų | 235 | 139.1 Ų | 139.1 | 89% | 0.887 | 75% | 0.751 | S | S | * | * | trans | -57.9 | 126.9 | 161.7 | -84.4 | -176.6 | -179.5 | -119.6 | 1.5 | 106.8 | P2 T6 | P2-R4 PolarHBondContact O-N 3.3Å; P2-R4 VanDerWaalsContact O-N 3.13Å; R4-T6 PolarHBondContact O-N 3.44Å | ||
| 5 | R | 30.5 | Very low | 42.2 | Very low | 248 Ų | 248 | 132.8 Ų | 132.8 | 94% | 0.936 | 72% | 0.721 | S | S | * | * | trans | -50.6 | 104.1 | 172.7 | -71 | 179.7 | -178.8 | -172.7 | -0.4 | 108.2 | L3 S7 | L3-R5 PolarHBondContact O-N 3.13Å; R5-S7 PolarHBondContact O-N 2.85Å | ||
| 6 | T | 35.4 | Very low | 45 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 76% | 0.761 | 73% | 0.733 | S | S | * | * | trans | -60 | 124.3 | 161.1 | 47.7 | 0 | 0 | 0 | 0 | 106.2 | R4 S8 | R4-T6 PolarHBondContact O-N 3.44Å; T6-S8 PolarHBondContact O-N 2.86Å; T6-S8 VanDerWaalsContact O-N 3.16Å | ||
| 7 | S | 39.8 | Very low | 47.5 | Very low | 57 Ų | 57 | 131.9 Ų | 131.9 | 40% | 0.399 | 71% | 0.706 | S | S | . | * | trans | -35.3 | 122.3 | 169.3 | 173.9 | 0 | 0 | 0 | 0 | 109.7 | R5 R9 | R5-S7 PolarHBondContact O-N 2.85Å; S7-R9 PolarHBondContact O-N 3.36Å | ||
| 8 | S | 34.4 | Very low | 49.8 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 88% | 0.881 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -70.4 | 12.8 | -174.8 | 57.8 | 0 | 0 | 0 | 0 | 113.7 | T6 G10 | T6-S8 PolarHBondContact O-N 2.86Å; T6-S8 VanDerWaalsContact O-N 3.16Å; S8-G10 PolarHBondContact O-N 3.32Å |
| 9 | R | 41.6 | Very low | 52 | Low | 112 Ų | 112 | 128.5 Ų | 128.5 | 42% | 0.423 | 70% | 0.698 | S | S | . | * | trans | -89.8 | 100.8 | 171.4 | -68.9 | -177.2 | -178.4 | 164.5 | -2.3 | 107.8 | S7 | S7-R9 PolarHBondContact O-N 3.36Š| ||
| 10 | G | 34.1 | Very low | 54 | Low | 59 Ų | 59 | 122.6 Ų | 122.6 | 61% | 0.608 | 67% | 0.666 | S | S | * | * | trans | -52.7 | 172.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S8 A12 | S8-G10 PolarHBondContact O-N 3.32Å; G10-A12 PolarHBondContact O-N 2.95Å | ||
| 11 | N | 40.3 | Very low | 55.9 | Low | 157 Ų | 157 | 120 Ų | 120 | 84% | 0.84 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -61.1 | 12.3 | -167.2 | -132 | 13.2 | 0 | 0 | 0 | 117 | ||
| 12 | A | 40.8 | Very low | 58.9 | Low | 87 Ų | 87 | 114.3 Ų | 114.3 | 72% | 0.719 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -115.2 | 123.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | G10 | G10-A12 PolarHBondContact O-N 2.95Š|
| 13 | G | 60.4 | Low | 62 | Low | 60 Ų | 60 | 112.5 Ų | 112.5 | 62% | 0.619 | 62% | 0.615 | S | S | * | * | trans | 100 | 53.2 | 170 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 14 | R | 75.6 | Confident | 65.1 | Low | 144 Ų | 144 | 105.2 Ų | 105.2 | 54% | 0.543 | 58% | 0.581 | S | S | . | * | trans | -86.8 | 145.9 | 163.3 | -68.8 | 176.4 | 179.8 | 169.8 | 10.3 | 109.1 | E16 Y42 | R14-E16 PolarHBondContact O-N 2.94Å; R14-Y42 HydrophobicContact CB-CD1 4.37Å; R14-Y42 HydrophobicContact CB-CE1 4.13Å; R14-Y42 WeakPolarHBondContact CD-OH 3.31Å; R14-Y42 HydrophobicContact CG-CD1 4.2Å; R14-Y42 HydrophobicContact CG-CE1 3.91Å; R14-Y42 PolarHBondContact NH1-OH 3.16Å | ||
| 15 | P | 79.4 | Confident | 68.2 | Low | 45 Ų | 45 | 95.6 Ų | 95.6 | 29% | 0.292 | 56% | 0.555 | S | S | . | * | trans | -64.1 | 134.9 | 179.6 | -8.5 | 20.5 | 0 | 0 | 0 | 110.8 | L17 I20 | P15-L17 VanDerWaalsContact C-N 3.32Å; P15-L17 HydrophobicContact CB-CD1 4.29Å; P15-L17 HydrophobicContact CB-CG 4.36Å; P15-L17 PolarHBondContact O-N 3.21Å; P15-L17 VanDerWaalsContact O-N 3.09Å; P15-I20 HydrophobicContact CB-CD1 3.46Å; P15-I20 VanDerWaalsContact CB-CD1 3.46Å; P15-I20 HydrophobicContact CG-CD1 3.63Å; P15-I20 WeakPolarHBondContact O-CD1 3.38Å | ||
| 16 | E | 86.2 | Confident | 71.4 | Confident | 197 Ų | 197 | 91 Ų | 91 | 92% | 0.921 | 54% | 0.537 | S | S | * | . | trans | -87.6 | 68.3 | -175.1 | -62.9 | -176.4 | 168.7 | 0 | 0 | 110.7 | R14 | R14-E16 PolarHBondContact O-N 2.94Š| ||
| 17 | L | 87.1 | Confident | 74.3 | Confident | 53 Ų | 53 | 85.8 Ų | 85.8 | 28% | 0.277 | 51% | 0.505 | S | S | . | . | trans | -122.5 | 137.8 | -175.9 | -58.5 | 174.1 | 0 | 0 | 0 | 111.9 | P15 I20 A21 V45 T47 | P15-L17 VanDerWaalsContact C-N 3.32Å; P15-L17 HydrophobicContact CB-CD1 4.29Å; P15-L17 HydrophobicContact CB-CG 4.36Å; P15-L17 PolarHBondContact O-N 3.21Å; P15-L17 VanDerWaalsContact O-N 3.09Å; L17-I20 HydrophobicContact CB-CB 4.45Å; L17-I20 HydrophobicContact CB-CD1 3.95Å; L17-I20 HydrophobicContact CB-CG1 4.1Å; L17-I20 HydrophobicContact CD1-CD1 4.03Å; L17-I20 HydrophobicContact CG-CD1 4.25Å; L17-I20 WeakPolarHBondContact O-CB 3.24Å; L17-I20 PolarHBondContact O-N 3.09Å; L17-A21 PolarHBondContact O-N 3.32Å; L17-A21 VanDerWaalsContact O-N 3.17Å; L17-V45 HydrophobicContact CD1-CG1 4.15Å; L17-T47 HydrophobicContact CD1-CG2 4.4Å; L17-T47 HydrophobicContact CD2-CG2 4.33Å | ||
| 18 | T | 89.5 | Confident | 77 | Confident | 106 Ų | 106 | 87 Ų | 87 | 65% | 0.65 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -52.9 | -45.9 | 178.9 | -53.3 | 0 | 0 | 0 | 0 | 113.4 | I20 A21 I22 | T18-I20 VanDerWaalsContact C-N 3.27Å; T18-I20 PolarHBondContact O-N 2.86Å; T18-A21 PolarHBondContact O-N 2.69Å; T18-I22 HydrophobicContact CG2-CD1 3.96Å; T18-I22 WeakPolarHBondContact O-CG1 3.35Å; T18-I22 PolarHBondContact O-N 3.16Å; T18-I22 VanDerWaalsContact O-N 3.1Å |
| 19 | P | 91.5 | Very high | 80.1 | Confident | 94 Ų | 94 | 85 Ų | 85 | 61% | 0.61 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.9 | -30.8 | 178.8 | -22.7 | 35.3 | 0 | 0 | 0 | 113.6 | M23 | P19-M23 WeakPolarHBondContact O-CB 3.27Å; P19-M23 PolarHBondContact O-N 2.88Å |
| 20 | I | 92.8 | Very high | 82.7 | Confident | 10 Ų | 10 | 83 Ų | 83 | 5% | 0.051 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -66.6 | -47.6 | 175.3 | -67.2 | 176.8 | 0 | 0 | 0 | 109.9 | P15 L17 T18 I22 M23 A24 M40 Y42 V45 | P15-I20 HydrophobicContact CB-CD1 3.46Å; P15-I20 VanDerWaalsContact CB-CD1 3.46Å; P15-I20 HydrophobicContact CG-CD1 3.63Å; P15-I20 WeakPolarHBondContact O-CD1 3.38Å; L17-I20 HydrophobicContact CB-CB 4.45Å; L17-I20 HydrophobicContact CB-CD1 3.95Å; L17-I20 HydrophobicContact CB-CG1 4.1Å; L17-I20 HydrophobicContact CD1-CD1 4.03Å; L17-I20 HydrophobicContact CG-CD1 4.25Å; L17-I20 WeakPolarHBondContact O-CB 3.24Å; L17-I20 PolarHBondContact O-N 3.09Å; T18-I20 VanDerWaalsContact C-N 3.27Å; T18-I20 PolarHBondContact O-N 2.86Å; I20-I22 VanDerWaalsContact C-N 3.33Å; I20-I22 PolarHBondContact O-N 3.28Å; I20-M23 PolarHBondContact O-N 3.38Å; I20-A24 WeakPolarHBondContact O-CB 3.34Å; I20-A24 PolarHBondContact O-N 3.07Å; I20-M40 HydrophobicContact CB-CE 4.49Å; I20-M40 HydrophobicContact CG1-CE 4.36Å; I20-M40 HydrophobicContact CG2-CE 4.26Å; I20-Y42 HydrophobicContact CG2-CD1 4.13Å; I20-Y42 HydrophobicContact CG2-CE1 3.6Å; I20-V45 HydrophobicContact CD1-CB 4.31Å; I20-V45 HydrophobicContact CD1-CG1 3.82Å; I20-V45 HydrophobicContact CD1-CG2 4.15Å; I20-V45 HydrophobicContact CG1-CG1 3.88Å; I20-V45 HydrophobicContact CG1-CG2 4.38Å |
| 21 | A | 92.4 | Very high | 85.7 | Confident | 67 Ų | 67 | 83.9 Ų | 83.9 | 55% | 0.554 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.3 | -44 | 180 | 0 | 0 | 0 | 0 | 0 | 111.6 | L17 T18 G25 | L17-A21 PolarHBondContact O-N 3.32Å; L17-A21 VanDerWaalsContact O-N 3.17Å; T18-A21 PolarHBondContact O-N 2.69Å; A21-G25 PolarHBondContact O-N 2.93Å |
| 22 | I | 94.6 | Very high | 88.5 | Confident | 117 Ų | 117 | 81.8 Ų | 81.8 | 60% | 0.6 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.8 | -49.4 | 176.9 | -66.4 | 169.1 | 0 | 0 | 0 | 110.9 | T18 I20 G25 R26 | T18-I22 HydrophobicContact CG2-CD1 3.96Å; T18-I22 WeakPolarHBondContact O-CG1 3.35Å; T18-I22 PolarHBondContact O-N 3.16Å; T18-I22 VanDerWaalsContact O-N 3.1Å; I20-I22 VanDerWaalsContact C-N 3.33Å; I20-I22 PolarHBondContact O-N 3.28Å; I22-G25 PolarHBondContact O-N 3.39Å; I22-R26 WeakPolarHBondContact O-CB 3.34Å; I22-R26 PolarHBondContact O-N 3.46Å |
| 23 | M | 94.8 | Very high | 91.2 | Very high | 90 Ų | 90 | 86 Ų | 86 | 44% | 0.443 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67 | -42.7 | -178.2 | -171.7 | 172.6 | -70.3 | 0 | 0 | 112 | P19 I20 G25 R26 L27 M40 | P19-M23 WeakPolarHBondContact O-CB 3.27Å; P19-M23 PolarHBondContact O-N 2.88Å; I20-M23 PolarHBondContact O-N 3.38Å; M23-G25 VanDerWaalsContact C-N 3.33Å; M23-G25 PolarHBondContact O-N 3.27Å; M23-R26 PolarHBondContact O-N 3.24Å; M23-L27 HydrophobicContact CG-CD1 4.03Å; M23-L27 HydrophobicContact CG-CG 4.4Å; M23-L27 WeakPolarHBondContact O-CB 3.18Å; M23-L27 VanDerWaalsContact O-CG 3.31Å; M23-L27 WeakPolarHBondContact O-CG 3.48Å; M23-L27 PolarHBondContact O-N 2.9Å; M23-M40 HydrophobicContact CB-CE 4.05Å; M23-M40 HydrophobicContact CB-SD 3.85Å; M23-M40 HydrophobicContact CG-CE 4.12Å; M23-M40 HydrophobicContact CG-SD 3.52Å; M23-M40 VanDerWaalsContact CG-SD 3.52Å; M23-M40 HydrophobicContact SD-CE 3.82Å; M23-M40 HydrophobicContact SD-SD 3.67Å; M23-M40 VanDerWaalsContact SD-SD 3.67Å |
| 24 | A | 94.6 | Very high | 92.9 | Very high | 22 Ų | 22 | 86 Ų | 86 | 18% | 0.182 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I20 L28 M40 | I20-A24 WeakPolarHBondContact O-CB 3.34Å; I20-A24 PolarHBondContact O-N 3.07Å; A24-L28 VanDerWaalsContact O-CB 3.31Å; A24-L28 WeakPolarHBondContact O-CB 3.48Å; A24-L28 PolarHBondContact O-N 3.36Å; A24-M40 HydrophobicContact CB-CB 4.5Å; A24-M40 HydrophobicContact CB-CG 4.34Å |
| 25 | G | 96.4 | Very high | 93.8 | Very high | 33 Ų | 33 | 82.8 Ų | 82.8 | 34% | 0.34 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.4 | -46.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A21 I22 M23 L27 L28 V29 | A21-G25 PolarHBondContact O-N 2.93Å; I22-G25 PolarHBondContact O-N 3.39Å; M23-G25 VanDerWaalsContact C-N 3.33Å; M23-G25 PolarHBondContact O-N 3.27Å; G25-L27 PolarHBondContact O-N 2.87Å; G25-L28 WeakPolarHBondContact O-CB 3.48Å; G25-L28 PolarHBondContact O-N 2.75Å; G25-V29 WeakPolarHBondContact O-CG2 3.24Å; G25-V29 PolarHBondContact O-N 2.81Å |
| 26 | R | 97.4 | Very high | 94.7 | Very high | 150 Ų | 150 | 82.1 Ų | 82.1 | 57% | 0.566 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -58.4 | -49.5 | 176.6 | -170.8 | -177.4 | 80.6 | 161.2 | 3.6 | 111.9 | I22 M23 L28 V29 Q30 | I22-R26 WeakPolarHBondContact O-CB 3.34Å; I22-R26 PolarHBondContact O-N 3.46Å; M23-R26 PolarHBondContact O-N 3.24Å; R26-L28 VanDerWaalsContact C-N 3.29Å; R26-L28 PolarHBondContact O-N 3.43Å; R26-V29 PolarHBondContact O-N 2.83Å; R26-Q30 WeakPolarHBondContact O-CG 3.39Å; R26-Q30 PolarHBondContact O-N 3.09Å |
| 27 | L | 96.7 | Very high | 95.2 | Very high | 15 Ų | 15 | 77.8 Ų | 77.8 | 8% | 0.079 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -65.2 | -34.5 | 179.4 | -67.6 | 172.7 | 0 | 0 | 0 | 111.5 | M23 G25 Q30 R31 D38 M40 | M23-L27 HydrophobicContact CG-CD1 4.03Å; M23-L27 HydrophobicContact CG-CG 4.4Å; M23-L27 WeakPolarHBondContact O-CB 3.18Å; M23-L27 VanDerWaalsContact O-CG 3.31Å; M23-L27 WeakPolarHBondContact O-CG 3.48Å; M23-L27 PolarHBondContact O-N 2.9Å; G25-L27 PolarHBondContact O-N 2.87Å; L27-Q30 PolarHBondContact O-N 2.8Å; L27-R31 WeakPolarHBondContact O-CG 3.36Å; L27-R31 PolarHBondContact O-N 3.23Å; L27-R31 PolarHBondContact O-NH1 2.75Å; L27-D38 HydrophobicContact CD2-CB 4.03Å; L27-M40 HydrophobicContact CD1-CB 4.07Å; L27-M40 HydrophobicContact CD1-SD 3.96Å |
| 28 | L | 97.1 | Very high | 95.6 | Very high | 83 Ų | 83 | 79.7 Ų | 79.7 | 44% | 0.435 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.6 | -48.6 | 174.4 | 178.4 | 63.8 | 0 | 0 | 0 | 112 | A24 G25 R26 Q30 R31 L32 | A24-L28 VanDerWaalsContact O-CB 3.31Å; A24-L28 WeakPolarHBondContact O-CB 3.48Å; A24-L28 PolarHBondContact O-N 3.36Å; G25-L28 WeakPolarHBondContact O-CB 3.48Å; G25-L28 PolarHBondContact O-N 2.75Å; R26-L28 VanDerWaalsContact C-N 3.29Å; R26-L28 PolarHBondContact O-N 3.43Å; L28-Q30 VanDerWaalsContact C-N 3.29Å; L28-Q30 PolarHBondContact O-N 3.44Å; L28-R31 PolarHBondContact O-N 3.3Å; L28-R31 VanDerWaalsContact O-N 3.16Å; L28-L32 HydrophobicContact CD1-CD1 4.03Å; L28-L32 HydrophobicContact CD1-CG 4.15Å; L28-L32 HydrophobicContact CG-CD1 4.01Å; L28-L32 HydrophobicContact CG-CG 4.47Å; L28-L32 WeakPolarHBondContact O-CG 3.32Å; L28-L32 PolarHBondContact O-N 2.95Å |
| 29 | V | 98 | Very high | 95.9 | Very high | 83 Ų | 83 | 80.7 Ų | 80.7 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.6 | -42 | 177.1 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | G25 R26 R31 L32 F33 | G25-V29 WeakPolarHBondContact O-CG2 3.24Å; G25-V29 PolarHBondContact O-N 2.81Å; R26-V29 PolarHBondContact O-N 2.83Å; V29-R31 VanDerWaalsContact C-N 3.32Å; V29-R31 PolarHBondContact O-N 3.02Å; V29-L32 PolarHBondContact O-N 3.08Å; V29-F33 HydrophobicContact CG1-CD2 4.12Å; V29-F33 PolarHBondContact O-N 3.01Å |
| 30 | Q | 97.3 | Very high | 95.9 | Very high | 70 Ų | 70 | 77.5 Ų | 77.5 | 33% | 0.327 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.7 | -34.2 | 177 | -72.6 | 177.9 | -18.1 | 0 | 0 | 113.2 | R26 L27 L28 G34 G35 S36 | R26-Q30 WeakPolarHBondContact O-CG 3.39Å; R26-Q30 PolarHBondContact O-N 3.09Å; L27-Q30 PolarHBondContact O-N 2.8Å; L28-Q30 VanDerWaalsContact C-N 3.29Å; L28-Q30 PolarHBondContact O-N 3.44Å; Q30-G34 CarbonylContact O-C 3.5Å; Q30-G34 WeakPolarHBondContact O-CA 3.5Å; Q30-G34 PolarHBondContact O-N 3.46Å; Q30-G35 PolarHBondContact O-N 2.72Å; Q30-G35 VanDerWaalsContact O-N 3.17Å; Q30-S36 PolarHBondContact O-N 3.3Å; Q30-S36 VanDerWaalsContact O-N 3.11Å |
| 31 | R | 97.7 | Very high | 95.9 | Very high | 79 Ų | 79 | 80.1 Ų | 80.1 | 30% | 0.298 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -72.4 | -42.7 | 174.1 | -70.4 | -171.3 | -61 | -87.5 | -2.8 | 112.4 | L27 L28 V29 S36 D38 | L27-R31 WeakPolarHBondContact O-CG 3.36Å; L27-R31 PolarHBondContact O-N 3.23Å; L27-R31 PolarHBondContact O-NH1 2.75Å; L28-R31 PolarHBondContact O-N 3.3Å; L28-R31 VanDerWaalsContact O-N 3.16Å; V29-R31 VanDerWaalsContact C-N 3.32Å; V29-R31 PolarHBondContact O-N 3.02Å; R31-S36 WeakPolarHBondContact CA-O 3.38Å; R31-S36 WeakPolarHBondContact CG-O 3.42Å; R31-D38 WeakPolarHBondContact CD-O 3.42Å; R31-D38 PolarHBondContact NH1-O 3.21Å |
| 32 | L | 97.5 | Very high | 95.8 | Very high | 113 Ų | 113 | 79 Ų | 79 | 59% | 0.592 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -71.4 | -39.1 | -177.3 | -70 | 176.1 | 0 | 0 | 0 | 112.8 | L28 V29 | L28-L32 HydrophobicContact CD1-CD1 4.03Å; L28-L32 HydrophobicContact CD1-CG 4.15Å; L28-L32 HydrophobicContact CG-CD1 4.01Å; L28-L32 HydrophobicContact CG-CG 4.47Å; L28-L32 WeakPolarHBondContact O-CG 3.32Å; L28-L32 PolarHBondContact O-N 2.95Å; V29-L32 PolarHBondContact O-N 3.08Å |
| 33 | F | 97.8 | Very high | 95.6 | Very high | 175 Ų | 175 | 77.2 Ų | 77.2 | 77% | 0.768 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -125.1 | -13.1 | -168.7 | -55.5 | -71.4 | 0 | 0 | 0 | 114.4 | V29 | V29-F33 HydrophobicContact CG1-CD2 4.12Å; V29-F33 PolarHBondContact O-N 3.01Å |
| 34 | G | 95.9 | Very high | 95.5 | Very high | 59 Ų | 59 | 75.9 Ų | 75.9 | 61% | 0.608 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -111.8 | 1.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q30 S36 | Q30-G34 CarbonylContact O-C 3.5Å; Q30-G34 WeakPolarHBondContact O-CA 3.5Å; Q30-G34 PolarHBondContact O-N 3.46Å; G34-S36 PolarHBondContact O-N 3.4Å |
| 35 | G | 95.9 | Very high | 95.6 | Very high | 77 Ų | 77 | 76.5 Ų | 76.5 | 79% | 0.794 | 43% | 0.431 | S | S | * | . | trans | 67.6 | 11.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q30 | Q30-G35 PolarHBondContact O-N 2.72Å; Q30-G35 VanDerWaalsContact O-N 3.17Å | ||
| 36 | S | 96.9 | Very high | 95.6 | Very high | 32 Ų | 32 | 76.7 Ų | 76.7 | 22% | 0.224 | 43% | 0.426 | C | S | . | . | trans | -71.1 | 153.3 | 174.7 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | Q30 R31 G34 D38 | Q30-S36 PolarHBondContact O-N 3.3Å; Q30-S36 VanDerWaalsContact O-N 3.11Å; R31-S36 WeakPolarHBondContact CA-O 3.38Å; R31-S36 WeakPolarHBondContact CG-O 3.42Å; G34-S36 PolarHBondContact O-N 3.4Å; S36-D38 WeakPolarHBondContact OG-CB 3.32Å; S36-D38 PolarHBondContact OG-N 3.18Å; S36-D38 PolarHBondContact OG-OD2 3.34Å; S36-D38 VanDerWaalsContact OG-OD2 3.12Å | ||
| 37 | S | 96.9 | Very high | 95.5 | Very high | 105 Ų | 105 | 71.2 Ų | 71.2 | 73% | 0.734 | 41% | 0.41 | S | S | * | . | trans | -112.4 | 4.5 | 169.5 | 59.9 | 0 | 0 | 0 | 0 | 112.8 | L39 | S37-L39 PolarHBondContact O-N 2.98Š| ||
| 38 | D | 95.7 | Very high | 95.6 | Very high | 94 Ų | 94 | 72.1 Ų | 72.1 | 50% | 0.503 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 131.5 | -175 | -63.1 | -35.3 | 0 | 0 | 0 | 110.9 | L27 R31 S36 | L27-D38 HydrophobicContact CD2-CB 4.03Å; R31-D38 WeakPolarHBondContact CD-O 3.42Å; R31-D38 PolarHBondContact NH1-O 3.21Å; S36-D38 WeakPolarHBondContact OG-CB 3.32Å; S36-D38 PolarHBondContact OG-N 3.18Å; S36-D38 PolarHBondContact OG-OD2 3.34Å; S36-D38 VanDerWaalsContact OG-OD2 3.12Å |
| 39 | L | 95.1 | Very high | 95.6 | Very high | 126 Ų | 126 | 70.3 Ų | 70.3 | 66% | 0.66 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -102.6 | 155.1 | 175.9 | -63.8 | 178.4 | 0 | 0 | 0 | 110.6 | S37 D41 | S37-L39 PolarHBondContact O-N 2.98Å; L39-D41 PolarHBondContact O-N 3.05Å |
| 40 | M | 93.2 | Very high | 95.5 | Very high | 28 Ų | 28 | 73.6 Ų | 73.6 | 14% | 0.138 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -67 | 127.4 | 171.6 | -177.2 | 63.4 | -172.4 | 0 | 0 | 109 | I20 M23 A24 L27 Y42 | I20-M40 HydrophobicContact CB-CE 4.49Å; I20-M40 HydrophobicContact CG1-CE 4.36Å; I20-M40 HydrophobicContact CG2-CE 4.26Å; M23-M40 HydrophobicContact CB-CE 4.05Å; M23-M40 HydrophobicContact CB-SD 3.85Å; M23-M40 HydrophobicContact CG-CE 4.12Å; M23-M40 HydrophobicContact CG-SD 3.52Å; M23-M40 VanDerWaalsContact CG-SD 3.52Å; M23-M40 HydrophobicContact SD-CE 3.82Å; M23-M40 HydrophobicContact SD-SD 3.67Å; M23-M40 VanDerWaalsContact SD-SD 3.67Å; A24-M40 HydrophobicContact CB-CB 4.5Å; A24-M40 HydrophobicContact CB-CG 4.34Å; L27-M40 HydrophobicContact CD1-CB 4.07Å; L27-M40 HydrophobicContact CD1-SD 3.96Å; M40-Y42 HydrophobicContact CB-CD2 4.3Å; M40-Y42 HydrophobicContact CB-CE2 3.6Å; M40-Y42 HydrophobicContact CG-CD1 4.17Å; M40-Y42 HydrophobicContact CG-CD2 4.03Å; M40-Y42 HydrophobicContact CG-CE1 3.73Å; M40-Y42 HydrophobicContact CG-CE2 3.57Å; M40-Y42 HydrophobicContact CG-CG 4.32Å; M40-Y42 WeakPolarHBondContact O-CD2 3.23Å |
| 41 | D | 91.7 | Very high | 95.4 | Very high | 65 Ų | 65 | 73.1 Ų | 73.1 | 35% | 0.348 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -92.4 | 116 | 171.8 | 178.4 | 11.5 | 0 | 0 | 0 | 108.8 | L39 D43 K132 | L39-D41 PolarHBondContact O-N 3.05Å; D41-D43 WeakPolarHBondContact OD1-CB 3.42Å; D41-D43 PolarHBondContact OD1-N 2.89Å; D41-K132 WeakPolarHBondContact OD2-CE 3.36Å; D41-K132 IonicContact OD2-NZ 3.76Å; D41-K132 PolarHBondContact OD2-NZ 3.42Å |
| 42 | Y | 91.5 | Very high | 95.1 | Very high | 42 Ų | 42 | 76.3 Ų | 76.3 | 17% | 0.165 | 45% | 0.449 | C | S | . | . | trans | -98.9 | -0.1 | -178.2 | -65.8 | -84.8 | 0 | 0 | 0 | 112.7 | R14 I20 M40 | R14-Y42 HydrophobicContact CB-CD1 4.37Å; R14-Y42 HydrophobicContact CB-CE1 4.13Å; R14-Y42 WeakPolarHBondContact CD-OH 3.31Å; R14-Y42 HydrophobicContact CG-CD1 4.2Å; R14-Y42 HydrophobicContact CG-CE1 3.91Å; R14-Y42 PolarHBondContact NH1-OH 3.16Å; I20-Y42 HydrophobicContact CG2-CD1 4.13Å; I20-Y42 HydrophobicContact CG2-CE1 3.6Å; M40-Y42 HydrophobicContact CB-CD2 4.3Å; M40-Y42 HydrophobicContact CB-CE2 3.6Å; M40-Y42 HydrophobicContact CG-CD1 4.17Å; M40-Y42 HydrophobicContact CG-CD2 4.03Å; M40-Y42 HydrophobicContact CG-CE1 3.73Å; M40-Y42 HydrophobicContact CG-CE2 3.57Å; M40-Y42 HydrophobicContact CG-CG 4.32Å; M40-Y42 WeakPolarHBondContact O-CD2 3.23Å | ||
| 43 | D | 90.6 | Very high | 95 | Very high | 81 Ų | 81 | 72.5 Ų | 72.5 | 43% | 0.433 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 142.6 | 177.2 | -64 | -25.7 | 0 | 0 | 0 | 109.7 | D41 V45 | D41-D43 WeakPolarHBondContact OD1-CB 3.42Å; D41-D43 PolarHBondContact OD1-N 2.89Å; D43-V45 VanDerWaalsContact C-N 3.28Å; D43-V45 PolarHBondContact O-N 3.01Å |
| 44 | N | 92.1 | Very high | 95 | Very high | 61 Ų | 61 | 66.3 Ų | 66.3 | 33% | 0.326 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 39.1 | 176.9 | -55.6 | -30.7 | 0 | 0 | 0 | 114.4 | P46 V58 G59 I131 | N44-P46 WeakPolarHBondContact O-CD 3.33Å; N44-V58 HydrophobicContact CB-CG2 4.2Å; N44-V58 VanDerWaalsContact O-CG2 3.32Å; N44-V58 WeakPolarHBondContact O-CG2 3.3Å; N44-G59 WeakPolarHBondContact OD1-CA 3.5Å; N44-I131 HydrophobicContact CB-CG2 4.41Å |
| 45 | V | 95.5 | Very high | 95.1 | Very high | 35 Ų | 35 | 63.6 Ų | 63.6 | 21% | 0.212 | 37% | 0.374 | C | S | . | . | trans | -70.8 | 121 | 171.5 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | L17 I20 D43 | L17-V45 HydrophobicContact CD1-CG1 4.15Å; I20-V45 HydrophobicContact CD1-CB 4.31Å; I20-V45 HydrophobicContact CD1-CG1 3.82Å; I20-V45 HydrophobicContact CD1-CG2 4.15Å; I20-V45 HydrophobicContact CG1-CG1 3.88Å; I20-V45 HydrophobicContact CG1-CG2 4.38Å; D43-V45 VanDerWaalsContact C-N 3.28Å; D43-V45 PolarHBondContact O-N 3.01Å | ||
| 46 | P | 97 | Very high | 95.3 | Very high | 37 Ų | 37 | 59.9 Ų | 59.9 | 24% | 0.24 | 34% | 0.336 | C | S | . | . | trans | -67.6 | 144.5 | 177.1 | 28 | -34.1 | 0 | 0 | 0 | 111.2 | N44 C57 V58 T124 A128 | N44-P46 WeakPolarHBondContact O-CD 3.33Å; P46-C57 WeakPolarHBondContact CA-O 3.15Å; P46-V58 HydrophobicContact CB-CB 4.11Å; P46-V58 HydrophobicContact CB-CG2 4.32Å; P46-T124 HydrophobicContact CB-CG2 3.96Å; P46-A128 HydrophobicContact CB-CB 3.78Å; P46-A128 HydrophobicContact CG-CB 3.7Å | ||
| 47 | T | 96.4 | Very high | 95.3 | Very high | 36 Ų | 36 | 58.5 Ų | 58.5 | 22% | 0.221 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 150 | 178.1 | -54.9 | 0 | 0 | 0 | 0 | 109.4 | L17 G56 C57 | L17-T47 HydrophobicContact CD1-CG2 4.4Å; L17-T47 HydrophobicContact CD2-CG2 4.33Å; T47-G56 WeakPolarHBondContact O-CA 3.43Å; T47-C57 PolarHBondContact N-O 3.17Å; T47-C57 PolarHBondContact O-N 2.84Å |
| 48 | T | 97.8 | Very high | 95.4 | Very high | 33 Ų | 33 | 53.6 Ų | 53.6 | 20% | 0.202 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 133.6 | 172.8 | -57.4 | 0 | 0 | 0 | 0 | 110 | F50 Y55 A120 G121 | T48-F50 HydrophobicContact CG2-CD1 4.2Å; T48-F50 HydrophobicContact CG2-CE1 3.82Å; T48-F50 HydrophobicContact CG2-CE2 4.16Å; T48-F50 HydrophobicContact CG2-CZ 3.8Å; T48-Y55 CarbonylContact C-O 3.49Å; T48-Y55 VanDerWaalsContact CA-O 3.25Å; T48-Y55 WeakPolarHBondContact CA-O 3.31Å; T48-A120 HydrophobicContact CG2-CB 4.43Å; T48-G121 VanDerWaalsContact OG1-CA 3.24Å; T48-G121 WeakPolarHBondContact OG1-CA 3.5Å |
| 49 | V | 96.8 | Very high | 95.4 | Very high | 45 Ų | 45 | 49.3 Ų | 49.3 | 27% | 0.273 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 118.9 | 171.4 | -175.1 | 0 | 0 | 0 | 0 | 108 | T51 E54 Y55 V196 C200 | V49-T51 VanDerWaalsContact C-N 3.26Å; V49-T51 HydrophobicContact CG1-CG2 4.04Å; V49-T51 PolarHBondContact O-N 2.93Å; V49-T51 VanDerWaalsContact O-N 3.1Å; V49-E54 WeakPolarHBondContact O-CA 3.36Å; V49-Y55 HydrophobicContact CG2-CD1 4.32Å; V49-Y55 PolarHBondContact N-O 2.8Å; V49-Y55 PolarHBondContact O-N 3.21Å; V49-V196 HydrophobicContact CG2-CG1 4.48Å; V49-C200 WeakPolarHBondContact CG2-SG 3.34Å |
| 50 | F | 96 | Very high | 95.6 | Very high | 153 Ų | 153 | 44.1 Ų | 44.1 | 67% | 0.671 | 24% | 0.242 | S | C | * | . | trans | -88.7 | 58.6 | -177 | -62.5 | -81.4 | 0 | 0 | 0 | 111.7 | T48 E54 | T48-F50 HydrophobicContact CG2-CD1 4.2Å; T48-F50 HydrophobicContact CG2-CE1 3.82Å; T48-F50 HydrophobicContact CG2-CE2 4.16Å; T48-F50 HydrophobicContact CG2-CZ 3.8Å; F50-E54 HydrophobicContact CD1-CG 4.16Å | ||
| 51 | T | 94.4 | Very high | 95.8 | Very high | 59 Ų | 59 | 42.8 Ų | 42.8 | 36% | 0.362 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -70.6 | 167.7 | 165.2 | 33.5 | 0 | 0 | 0 | 0 | 110.9 | V49 L53 E54 | V49-T51 VanDerWaalsContact C-N 3.26Å; V49-T51 HydrophobicContact CG1-CG2 4.04Å; V49-T51 PolarHBondContact O-N 2.93Å; V49-T51 VanDerWaalsContact O-N 3.1Å; T51-L53 WeakPolarHBondContact CB-O 3.31Å; T51-L53 CarbonylContact O-C 3.53Å; T51-L53 PolarHBondContact O-N 3.43Å; T51-L53 VanDerWaalsContact O-N 3.08Å; T51-L53 PolarHBondContact OG1-O 3.35Å; T51-E54 PolarHBondContact O-N 2.98Å |
| 52 | P | 93.4 | Very high | 96.1 | Very high | 147 Ų | 147 | 41.6 Ų | 41.6 | 96% | 0.955 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -51.6 | -33.4 | 176.7 | -29.5 | 36.3 | 0 | 0 | 0 | 114.2 | ||
| 53 | L | 94.3 | Very high | 96.4 | Very high | 33 Ų | 33 | 43.5 Ų | 43.5 | 17% | 0.173 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -108.6 | 112.7 | 160.2 | -167.3 | 66.3 | 0 | 0 | 0 | 107.5 | T51 Q95 L116 | T51-L53 WeakPolarHBondContact CB-O 3.31Å; T51-L53 CarbonylContact O-C 3.53Å; T51-L53 PolarHBondContact O-N 3.43Å; T51-L53 VanDerWaalsContact O-N 3.08Å; T51-L53 PolarHBondContact OG1-O 3.35Å; L53-Q95 HydrophobicContact CD2-CB 3.59Å; L53-L116 HydrophobicContact CB-CD1 4.48Å; L53-L116 HydrophobicContact CD2-CD1 3.98Å; L53-L116 HydrophobicContact CD2-CD2 4.33Å; L53-L116 HydrophobicContact CD2-CG 3.8Å; L53-L116 HydrophobicContact CG-CD1 4.04Å; L53-L116 HydrophobicContact CG-CG 4.25Å |
| 54 | E | 98.2 | Very high | 96.7 | Very high | 44 Ų | 44 | 41.6 Ų | 41.6 | 21% | 0.206 | 23% | 0.227 | C | C | . | . | trans | -68.7 | 148 | -172.8 | -58.1 | 174.7 | -170.8 | 0 | 0 | 111.7 | V49 F50 T51 L116 G117 N119 A120 | V49-E54 WeakPolarHBondContact O-CA 3.36Å; F50-E54 HydrophobicContact CD1-CG 4.16Å; T51-E54 PolarHBondContact O-N 2.98Å; E54-L116 WeakPolarHBondContact O-CA 3.34Å; E54-L116 WeakPolarHBondContact O-CD1 3.38Å; E54-G117 WeakPolarHBondContact CB-O 3.44Å; E54-G117 PolarHBondContact O-N 3.49Å; E54-N119 VanDerWaalsContact OE2-CA 3.3Å; E54-N119 WeakPolarHBondContact OE2-CA 3.44Å; E54-N119 PolarHBondContact OE2-N 3.24Å; E54-A120 HydrophobicContact CB-CB 3.64Å; E54-A120 PolarHBondContact OE2-N 3.47Å | ||
| 55 | Y | 98.4 | Very high | 96.9 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 114.6 | 174.7 | 171 | -116.3 | 0 | 0 | 0 | 110.5 | T48 V49 C57 H114 F115 L116 M193 V196 E197 | T48-Y55 CarbonylContact C-O 3.49Å; T48-Y55 VanDerWaalsContact CA-O 3.25Å; T48-Y55 WeakPolarHBondContact CA-O 3.31Å; V49-Y55 HydrophobicContact CG2-CD1 4.32Å; V49-Y55 PolarHBondContact N-O 2.8Å; V49-Y55 PolarHBondContact O-N 3.21Å; Y55-C57 HydrophobicContact CE1-CB 4.15Å; Y55-C57 HydrophobicContact CE2-CB 4.28Å; Y55-C57 WeakPolarHBondContact OH-CB 3.45Å; Y55-H114 HydrophobicContact CE2-CB 4.08Å; Y55-H114 AromaticContact CZ-ND1 3.95Å; Y55-H114 PolarHBondContact OH-ND1 2.87Å; Y55-F115 CarbonylContact C-O 3.35Å; Y55-F115 WeakPolarHBondContact CA-O 3.2Å; Y55-L116 HydrophobicContact CD2-CB 4.48Å; Y55-M193 HydrophobicContact CD2-CE 4.23Å; Y55-M193 HydrophobicContact CE2-CE 4.02Å; Y55-M193 HydrophobicContact CE2-CG 4.28Å; Y55-V196 HydrophobicContact CD1-CB 4.38Å; Y55-V196 HydrophobicContact CD1-CG1 3.36Å; Y55-V196 HydrophobicContact CE1-CG1 3.96Å; Y55-V196 HydrophobicContact CG-CG1 3.95Å; Y55-E197 HydrophobicContact CE1-CG 4.26Å; Y55-E197 WeakPolarHBondContact OH-CG 3.49Å; Y55-E197 PolarHBondContact OH-OE1 3.5Å |
| 56 | G | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 138.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | T47 F115 T124 | T47-G56 WeakPolarHBondContact O-CA 3.43Å; G56-F115 PolarHBondContact N-O 3.47Å; G56-F115 PolarHBondContact O-N 3.3Å; G56-T124 WeakPolarHBondContact CA-OG1 3.38Å |
| 57 | C | 98.3 | Very high | 97.1 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.02 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 154.4 | 175.1 | 65.9 | 0 | 0 | 0 | 0 | 113.2 | P46 T47 Y55 L113 T124 | P46-C57 WeakPolarHBondContact CA-O 3.15Å; T47-C57 PolarHBondContact N-O 3.17Å; T47-C57 PolarHBondContact O-N 2.84Å; Y55-C57 HydrophobicContact CE1-CB 4.15Å; Y55-C57 HydrophobicContact CE2-CB 4.28Å; Y55-C57 WeakPolarHBondContact OH-CB 3.45Å; C57-L113 CarbonylContact C-O 3.59Å; C57-L113 VanDerWaalsContact CA-O 3.24Å; C57-L113 WeakPolarHBondContact CA-O 3.49Å; C57-T124 WeakPolarHBondContact O-CG2 3.22Å |
| 58 | V | 98.2 | Very high | 97.2 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 142.3 | 172.2 | 55.3 | 0 | 0 | 0 | 0 | 109.4 | N44 P46 G112 L113 T124 A128 I131 | N44-V58 HydrophobicContact CB-CG2 4.2Å; N44-V58 VanDerWaalsContact O-CG2 3.32Å; N44-V58 WeakPolarHBondContact O-CG2 3.3Å; P46-V58 HydrophobicContact CB-CB 4.11Å; P46-V58 HydrophobicContact CB-CG2 4.32Å; V58-G112 CarbonylContact O-C 3.54Å; V58-G112 WeakPolarHBondContact O-CA 3.4Å; V58-L113 HydrophobicContact CG1-CB 4Å; V58-L113 PolarHBondContact N-O 2.93Å; V58-L113 PolarHBondContact O-N 2.76Å; V58-T124 HydrophobicContact CB-CG2 4.06Å; V58-T124 HydrophobicContact CG1-CG2 3.97Å; V58-A128 HydrophobicContact CB-CB 4.29Å; V58-A128 HydrophobicContact CG1-CB 4.41Å; V58-A128 HydrophobicContact CG2-CB 3.84Å; V58-I131 HydrophobicContact CG1-CD1 3.53Å; V58-I131 HydrophobicContact CG2-CD1 4.45Å |
| 59 | G | 97 | Very high | 97.1 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 84.5 | -153.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N44 L111 W201 | N44-G59 WeakPolarHBondContact OD1-CA 3.5Å; G59-L111 CarbonylContact C-O 3.49Å; G59-L111 VanDerWaalsContact CA-O 3.31Å; G59-L111 WeakPolarHBondContact CA-O 3.12Å; G59-W201 WeakPolarHBondContact O-CZ2 3.31Å |
| 60 | L | 97.5 | Very high | 97.2 | Very high | 16 Ų | 16 | 46.3 Ų | 46.3 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | trans | -80.3 | 142.1 | -175.2 | -56.1 | -174.4 | 0 | 0 | 0 | 111.6 | E64 A65 L111 H114 | L60-E64 HydrophobicContact CB-CB 4.34Å; L60-A65 HydrophobicContact CB-CB 4.19Å; L60-A65 HydrophobicContact CD1-CB 4.21Å; L60-L111 HydrophobicContact CD1-CB 4.34Å; L60-L111 HydrophobicContact CD1-CD1 4.49Å; L60-L111 PolarHBondContact N-O 3.37Å; L60-H114 PolarHBondContact O-NE2 2.71Å | ||
| 61 | S | 97.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.007 | 24% | 0.242 | C | C | . | . | trans | -66.7 | 167 | 160.7 | 76.8 | 0 | 0 | 0 | 0 | 111.6 | E63 E64 A65 | S61-E63 VanDerWaalsContact CB-OE1 3.23Å; S61-E63 WeakPolarHBondContact CB-OE1 3.48Å; S61-E63 WeakPolarHBondContact OG-CG 3.31Å; S61-E63 PolarHBondContact OG-OE1 3.48Å; S61-E63 PolarHBondContact OG-OE2 3.01Å; S61-E64 PolarHBondContact N-OE2 3.42Å; S61-E64 PolarHBondContact O-N 3.41Å; S61-E64 WeakPolarHBondContact OG-CG 3.27Å; S61-E64 PolarHBondContact OG-N 3.16Å; S61-A65 WeakPolarHBondContact O-CB 3.26Å; S61-A65 PolarHBondContact O-N 2.91Å | ||
| 62 | E | 97.9 | Very high | 97.4 | Very high | 39 Ų | 39 | 46.3 Ų | 46.3 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.5 | -47.9 | 179.7 | 177.6 | 171.9 | 159.2 | 0 | 0 | 111.3 | E64 A65 V66 V76 V101 K161 | E62-E64 VanDerWaalsContact C-N 3.34Å; E62-E64 PolarHBondContact O-N 3.33Å; E62-A65 PolarHBondContact O-N 3.32Å; E62-V66 VanDerWaalsContact O-CG2 3.27Å; E62-V66 WeakPolarHBondContact O-CG2 3.43Å; E62-V66 PolarHBondContact O-N 3.4Å; E62-V76 HydrophobicContact CG-CG2 3.89Å; E62-V101 HydrophobicContact CB-CG2 4.44Å; E62-K161 IonicContact OE1-NZ 2.7Å; E62-K161 PolarHBondContact OE1-NZ 3.36Å; E62-K161 IonicContact OE2-NZ 3.24Å; E62-K161 PolarHBondContact OE2-NZ 2.91Å |
| 63 | E | 97.4 | Very high | 97.6 | Very high | 83 Ų | 83 | 42.6 Ų | 42.6 | 39% | 0.388 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.8 | -37.1 | 177.2 | 61.5 | -78.1 | 178.9 | 0 | 0 | 112.6 | S61 A67 | S61-E63 VanDerWaalsContact CB-OE1 3.23Å; S61-E63 WeakPolarHBondContact CB-OE1 3.48Å; S61-E63 WeakPolarHBondContact OG-CG 3.31Å; S61-E63 PolarHBondContact OG-OE1 3.48Å; S61-E63 PolarHBondContact OG-OE2 3.01Å; E63-A67 VanDerWaalsContact O-CB 3.24Å; E63-A67 WeakPolarHBondContact O-CB 3.1Å; E63-A67 PolarHBondContact O-N 2.71Å |
| 64 | E | 97.2 | Very high | 97.9 | Very high | 41 Ų | 41 | 41.2 Ų | 41.2 | 19% | 0.192 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68 | -41.9 | 174 | -76 | -169.7 | 114.3 | 0 | 0 | 112.1 | L60 S61 E62 V66 A67 R68 | L60-E64 HydrophobicContact CB-CB 4.34Å; S61-E64 PolarHBondContact N-OE2 3.42Å; S61-E64 PolarHBondContact O-N 3.41Å; S61-E64 WeakPolarHBondContact OG-CG 3.27Å; S61-E64 PolarHBondContact OG-N 3.16Å; E62-E64 VanDerWaalsContact C-N 3.34Å; E62-E64 PolarHBondContact O-N 3.33Å; E64-V66 VanDerWaalsContact C-N 3.34Å; E64-A67 PolarHBondContact O-N 3.05Å; E64-R68 WeakPolarHBondContact O-CB 3.46Å; E64-R68 VanDerWaalsContact O-CG 3.24Å; E64-R68 WeakPolarHBondContact O-CG 3.42Å; E64-R68 PolarHBondContact O-N 3.46Å; E64-R68 IonicContact OE1-NH2 2.9Å; E64-R68 PolarHBondContact OE1-NH2 3.43Å; E64-R68 VanDerWaalsContact OE1-NH2 3.07Å |
| 65 | A | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.4 | -44.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L60 S61 E62 R68 H69 V74 V101 L111 | L60-A65 HydrophobicContact CB-CB 4.19Å; L60-A65 HydrophobicContact CD1-CB 4.21Å; S61-A65 WeakPolarHBondContact O-CB 3.26Å; S61-A65 PolarHBondContact O-N 2.91Å; E62-A65 PolarHBondContact O-N 3.32Å; A65-R68 PolarHBondContact O-N 2.9Å; A65-H69 WeakPolarHBondContact O-CB 3.48Å; A65-H69 PolarHBondContact O-CD2 2.96Å; A65-H69 PolarHBondContact O-N 2.86Å; A65-V74 HydrophobicContact CB-CG1 4.31Å; A65-V74 HydrophobicContact CB-CG2 4.12Å; A65-V101 HydrophobicContact CB-CG1 3.55Å; A65-L111 HydrophobicContact CB-CD1 4.12Å |
| 66 | V | 98.1 | Very high | 97.9 | Very high | 38 Ų | 38 | 40.3 Ų | 40.3 | 23% | 0.23 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.5 | -44 | 175.8 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | E62 E64 R68 G70 Q71 V74 | E62-V66 VanDerWaalsContact O-CG2 3.27Å; E62-V66 WeakPolarHBondContact O-CG2 3.43Å; E62-V66 PolarHBondContact O-N 3.4Å; E64-V66 VanDerWaalsContact C-N 3.34Å; V66-R68 VanDerWaalsContact C-N 3.28Å; V66-R68 PolarHBondContact O-N 2.93Å; V66-G70 VanDerWaalsContact O-CA 3.31Å; V66-G70 WeakPolarHBondContact O-CA 3.24Å; V66-G70 PolarHBondContact O-N 3.47Å; V66-Q71 HydrophobicContact CG1-CB 4.09Å; V66-Q71 VanDerWaalsContact CG1-OE1 3.26Å; V66-V74 HydrophobicContact CG2-CB 4.35Å; V66-V74 HydrophobicContact CG2-CG1 4.42Å; V66-V74 HydrophobicContact CG2-CG2 4.44Å |
| 67 | A | 97.8 | Very high | 97.9 | Very high | 87 Ų | 87 | 41.6 Ų | 41.6 | 72% | 0.719 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -63.1 | -33.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E63 E64 | E63-A67 VanDerWaalsContact O-CB 3.24Å; E63-A67 WeakPolarHBondContact O-CB 3.1Å; E63-A67 PolarHBondContact O-N 2.71Å; E64-A67 PolarHBondContact O-N 3.05Å |
| 68 | R | 97.5 | Very high | 97.9 | Very high | 130 Ų | 130 | 42.2 Ų | 42.2 | 49% | 0.491 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -86.4 | -34.2 | -178.4 | -69.3 | -178.7 | -159.6 | -165.5 | 12.2 | 113.9 | E64 A65 V66 | E64-R68 WeakPolarHBondContact O-CB 3.46Å; E64-R68 VanDerWaalsContact O-CG 3.24Å; E64-R68 WeakPolarHBondContact O-CG 3.42Å; E64-R68 PolarHBondContact O-N 3.46Å; E64-R68 IonicContact OE1-NH2 2.9Å; E64-R68 PolarHBondContact OE1-NH2 3.43Å; E64-R68 VanDerWaalsContact OE1-NH2 3.07Å; A65-R68 PolarHBondContact O-N 2.9Å; V66-R68 VanDerWaalsContact C-N 3.28Å; V66-R68 PolarHBondContact O-N 2.93Å |
| 69 | H | 97.6 | Very high | 97.8 | Very high | 73 Ų | 73 | 42.6 Ų | 42.6 | 34% | 0.338 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -118.1 | -12.9 | -168.8 | -61.4 | -73.7 | 0 | 0 | 0 | 114.4 | A65 H73 V74 L103 | A65-H69 WeakPolarHBondContact O-CB 3.48Å; A65-H69 PolarHBondContact O-CD2 2.96Å; A65-H69 PolarHBondContact O-N 2.86Å; H69-H73 WeakPolarHBondContact O-CB 3.45Å; H69-H73 PolarHBondContact O-CD2 3.11Å; H69-V74 HydrophobicContact CB-CG2 4.05Å; H69-L103 HydrophobicContact CB-CD2 4.26Å |
| 70 | G | 97.9 | Very high | 97.8 | Very high | 18 Ų | 18 | 43.6 Ų | 43.6 | 19% | 0.186 | 22% | 0.222 | C | C | . | . | trans | 87.9 | 142 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V66 E72 H73 V74 | V66-G70 VanDerWaalsContact O-CA 3.31Å; V66-G70 WeakPolarHBondContact O-CA 3.24Å; V66-G70 PolarHBondContact O-N 3.47Å; G70-E72 PolarHBondContact O-N 3.32Å; G70-H73 PolarHBondContact O-N 3.12Å; G70-H73 VanDerWaalsContact O-N 3.09Å; G70-V74 PolarHBondContact O-N 3.17Å | ||
| 71 | Q | 97.5 | Very high | 97.6 | Very high | 107 Ų | 107 | 43.2 Ų | 43.2 | 50% | 0.5 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -31.9 | -177.3 | -177.6 | 66.3 | 26.8 | 0 | 0 | 112 | V66 H73 R162 | V66-Q71 HydrophobicContact CG1-CB 4.09Å; V66-Q71 VanDerWaalsContact CG1-OE1 3.26Å; Q71-H73 VanDerWaalsContact C-N 3.33Å; Q71-R162 PolarHBondContact O-NH2 2.95Å |
| 72 | E | 97.6 | Very high | 97.5 | Very high | 105 Ų | 105 | 48.5 Ų | 48.5 | 49% | 0.491 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -22.1 | -179.9 | 67.3 | -70.7 | 166.5 | 0 | 0 | 113.5 | G70 R104 | G70-E72 PolarHBondContact O-N 3.32Å; E72-R104 WeakPolarHBondContact O-CD 2.96Å; E72-R104 PolarHBondContact O-NH1 2.96Å |
| 73 | H | 98.1 | Very high | 97.3 | Very high | 68 Ų | 68 | 46.7 Ų | 46.7 | 32% | 0.315 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -6.8 | -179.6 | -62.4 | -76.7 | 0 | 0 | 0 | 113.5 | H69 G70 Q71 L103 R104 E105 | H69-H73 WeakPolarHBondContact O-CB 3.45Å; H69-H73 PolarHBondContact O-CD2 3.11Å; G70-H73 PolarHBondContact O-N 3.12Å; G70-H73 VanDerWaalsContact O-N 3.09Å; Q71-H73 VanDerWaalsContact C-N 3.33Å; H73-L103 CarbonylContact O-C 3.59Å; H73-L103 WeakPolarHBondContact O-CA 3.45Å; H73-R104 PolarHBondContact O-N 3.2Å; H73-E105 IonicContact CE1-OE1 2.98Å; H73-E105 PolarHBondContact CE1-OE1 3.21Å; H73-E105 IonicContact ND1-OE1 2.71Å; H73-E105 PolarHBondContact ND1-OE1 2.86Å |
| 74 | V | 98.6 | Very high | 97 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.024 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 136.7 | -179.6 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | A65 V66 H69 G70 V76 V101 C102 R104 R162 | A65-V74 HydrophobicContact CB-CG1 4.31Å; A65-V74 HydrophobicContact CB-CG2 4.12Å; V66-V74 HydrophobicContact CG2-CB 4.35Å; V66-V74 HydrophobicContact CG2-CG1 4.42Å; V66-V74 HydrophobicContact CG2-CG2 4.44Å; H69-V74 HydrophobicContact CB-CG2 4.05Å; G70-V74 PolarHBondContact O-N 3.17Å; V74-V76 HydrophobicContact CG1-CG2 4.16Å; V74-V101 HydrophobicContact CG1-CG1 3.79Å; V74-C102 WeakPolarHBondContact CA-O 3.38Å; V74-R104 WeakPolarHBondContact O-CD 3.34Å; V74-R162 PolarHBondContact O-NH2 3.23Å |
| 75 | E | 98.6 | Very high | 96.6 | Very high | 19 Ų | 19 | 50.7 Ų | 50.7 | 9% | 0.089 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 139 | 168.4 | -158.9 | 61.7 | -111.4 | 0 | 0 | 109.2 | Y77 C102 R104 S160 R162 | E75-Y77 HydrophobicContact CB-CE2 4.11Å; E75-Y77 HydrophobicContact CG-CD2 4.36Å; E75-Y77 HydrophobicContact CG-CE1 4.4Å; E75-Y77 HydrophobicContact CG-CE2 3.72Å; E75-C102 PolarHBondContact N-O 2.77Å; E75-C102 PolarHBondContact O-N 2.93Å; E75-R104 HydrophobicContact CB-CG 3.7Å; E75-R104 IonicContact OE2-NE 3.07Å; E75-R104 PolarHBondContact OE2-NE 2.96Å; E75-S160 VanDerWaalsContact OE1-CB 3.22Å; E75-S160 WeakPolarHBondContact OE1-CB 3.38Å; E75-S160 PolarHBondContact OE1-OG 2.94Å; E75-R162 WeakPolarHBondContact OE1-CB 3.36Å; E75-R162 IonicContact OE1-NE 3.16Å; E75-R162 IonicContact OE2-NE 2.88Å; E75-R162 PolarHBondContact OE2-NE 3.09Å |
| 76 | V | 98.7 | Very high | 96.3 | Very high | 8 Ų | 8 | 52 Ų | 52 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 112.4 | 178.5 | -177.1 | 0 | 0 | 0 | 0 | 108.4 | E62 V74 K99 M100 V101 S160 K161 | E62-V76 HydrophobicContact CG-CG2 3.89Å; V74-V76 HydrophobicContact CG1-CG2 4.16Å; V76-K99 HydrophobicContact CG1-CB 4.2Å; V76-M100 WeakPolarHBondContact CA-O 3.27Å; V76-V101 HydrophobicContact CG2-CG2 4.45Å; V76-S160 CarbonylContact O-C 3.57Å; V76-S160 WeakPolarHBondContact O-CA 3.29Å; V76-K161 HydrophobicContact CB-CB 4.4Å; V76-K161 HydrophobicContact CB-CD 4.07Å; V76-K161 HydrophobicContact CB-CG 4.23Å; V76-K161 HydrophobicContact CG1-CD 3.93Å; V76-K161 HydrophobicContact CG1-CG 4.23Å; V76-K161 PolarHBondContact O-N 3.29Å |
| 77 | Y | 98.6 | Very high | 95.8 | Very high | 28 Ų | 28 | 53.7 Ų | 53.7 | 11% | 0.11 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 138.4 | 172.9 | -60.9 | -86.8 | 0 | 0 | 0 | 109.8 | E75 K99 M100 C102 Y137 I159 | E75-Y77 HydrophobicContact CB-CE2 4.11Å; E75-Y77 HydrophobicContact CG-CD2 4.36Å; E75-Y77 HydrophobicContact CG-CE1 4.4Å; E75-Y77 HydrophobicContact CG-CE2 3.72Å; Y77-K99 CarbonylContact O-C 3.58Å; Y77-K99 WeakPolarHBondContact O-CA 3.38Å; Y77-M100 PolarHBondContact N-O 3.17Å; Y77-M100 PolarHBondContact O-N 3.27Å; Y77-C102 HydrophobicContact CE2-CB 4.47Å; Y77-Y137 AromaticContact CD1-CE2 3.85Å; Y77-Y137 HydrophobicContact CD1-CE2 3.85Å; Y77-Y137 AromaticContact CD2-CD2 3.69Å; Y77-Y137 HydrophobicContact CD2-CD2 3.69Å; Y77-Y137 AromaticContact CD2-CE2 3.62Å; Y77-Y137 HydrophobicContact CD2-CE2 3.62Å; Y77-Y137 HydrophobicContact CD2-CG 4.43Å; Y77-Y137 HydrophobicContact CE1-CE1 4.21Å; Y77-Y137 AromaticContact CE1-CE2 3.84Å; Y77-Y137 HydrophobicContact CE1-CE2 3.84Å; Y77-Y137 AromaticContact CE1-CZ 3.58Å; Y77-Y137 WeakPolarHBondContact CE1-OH 3.08Å; Y77-Y137 HydrophobicContact CE2-CD1 4.22Å; Y77-Y137 AromaticContact CE2-CD2 3.58Å; Y77-Y137 HydrophobicContact CE2-CD2 3.58Å; Y77-Y137 HydrophobicContact CE2-CE1 4.23Å; Y77-Y137 AromaticContact CE2-CE2 3.6Å; Y77-Y137 HydrophobicContact CE2-CE2 3.6Å; Y77-Y137 AromaticContact CE2-CG 3.9Å; Y77-Y137 HydrophobicContact CE2-CG 3.9Å; Y77-Y137 AromaticContact CE2-CZ 3.93Å; Y77-Y137 HydrophobicContact CG-CD2 4.26Å; Y77-Y137 AromaticContact CG-CE2 3.74Å; Y77-Y137 HydrophobicContact CG-CE2 3.74Å; Y77-Y137 AromaticContact CZ-CE1 3.78Å; Y77-Y137 AromaticContact CZ-CE2 3.7Å; Y77-Y137 AromaticContact CZ-CZ 3.53Å; Y77-I159 CarbonylContact C-O 3.2Å; Y77-I159 VanDerWaalsContact CA-O 3.25Å; Y77-I159 WeakPolarHBondContact CA-O 3.47Å |
| 78 | H | 98.3 | Very high | 95.1 | Very high | 16 Ų | 16 | 55.9 Ų | 55.9 | 7% | 0.074 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 156.9 | -174.3 | 69 | 156.3 | 0 | 0 | 0 | 113.9 | Y97 V98 K99 I159 | H78-Y97 HydrophobicContact CB-CE1 4.47Å; H78-Y97 HydrophobicContact CB-CE2 3.94Å; H78-Y97 WeakPolarHBondContact CB-OH 3.19Å; H78-Y97 AromaticContact ND1-CE2 3.72Å; H78-Y97 AromaticContact ND1-CZ 3.63Å; H78-Y97 PolarHBondContact ND1-OH 2.79Å; H78-V98 VanDerWaalsContact CA-O 3.22Å; H78-V98 WeakPolarHBondContact CA-O 3.32Å; H78-V98 WeakPolarHBondContact CB-O 3.42Å; H78-K99 HydrophobicContact CB-CB 3.96Å; H78-I159 PolarHBondContact CD2-O 3.23Å; H78-I159 PolarHBondContact N-O 3.44Å |
| 79 | A | 96.8 | Very high | 94.6 | Very high | 10 Ų | 10 | 52.4 Ų | 52.4 | 8% | 0.083 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 147.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y97 V98 L157 P167 | A79-Y97 WeakPolarHBondContact O-CA 3.5Å; A79-Y97 VanDerWaalsContact O-CD2 3.31Å; A79-Y97 WeakPolarHBondContact O-CD2 3.35Å; A79-V98 HydrophobicContact CB-CG1 4.35Å; A79-V98 PolarHBondContact N-O 2.81Å; A79-V98 PolarHBondContact O-N 3.3Å; A79-L157 HydrophobicContact CB-CD2 3.78Å; A79-P167 WeakPolarHBondContact CA-O 3.25Å |
| 80 | H | 96 | Very high | 94.1 | Very high | 24 Ų | 24 | 52.1 Ų | 52.1 | 11% | 0.111 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 148.2 | 155.6 | -77.1 | -72.2 | 0 | 0 | 0 | 109.8 | S94 C96 Y97 P167 V169 S189 | H80-S94 PolarHBondContact CE1-O 3.28Å; H80-S94 PolarHBondContact ND1-O 3.18Å; H80-C96 WeakPolarHBondContact CA-O 3.05Å; H80-C96 PolarHBondContact ND1-O 3.39Å; H80-C96 VanDerWaalsContact ND1-O 3.09Å; H80-Y97 AromaticContact CD2-CD2 3.99Å; H80-Y97 AromaticContact CE1-CD2 3.54Å; H80-Y97 AromaticContact ND1-CD2 3.75Å; H80-Y97 AromaticContact NE2-CD2 3.68Å; H80-P167 PolarHBondContact N-O 3.27Å; H80-V169 WeakPolarHBondContact O-CG2 3.42Å; H80-S189 WeakPolarHBondContact CE1-CB 3.13Å; H80-S189 PolarHBondContact CE1-OG 3.09Å; H80-S189 PolarHBondContact NE2-OG 3.13Å |
| 81 | Y | 94.8 | Very high | 93.6 | Very high | 9 Ų | 9 | 58.7 Ų | 58.7 | 4% | 0.035 | 31% | 0.311 | C | S | . | . | trans | -144.1 | 164.6 | 177.8 | 72 | -81.6 | 0 | 0 | 0 | 111 | P83 C96 V98 F115 L116 G117 C150 E153 | Y81-P83 HydrophobicContact CD2-CG 4.43Å; Y81-P83 HydrophobicContact CE2-CG 3.97Å; Y81-C96 HydrophobicContact CD1-CB 4.04Å; Y81-C96 HydrophobicContact CD2-CB 4.36Å; Y81-C96 HydrophobicContact CE1-CB 3.8Å; Y81-C96 HydrophobicContact CE2-CB 4.14Å; Y81-C96 HydrophobicContact CG-CB 4.31Å; Y81-C96 PolarHBondContact N-O 3Å; Y81-C96 WeakPolarHBondContact O-CB 3.49Å; Y81-V98 HydrophobicContact CD1-CG1 4.12Å; Y81-V98 HydrophobicContact CE1-CG1 4.46Å; Y81-F115 HydrophobicContact CE1-CE2 4.24Å; Y81-F115 HydrophobicContact CE1-CZ 4.3Å; Y81-F115 HydrophobicContact CE2-CZ 4.3Å; Y81-F115 AromaticContact CZ-CZ 3.64Å; Y81-F115 WeakPolarHBondContact OH-CE1 3.49Å; Y81-F115 WeakPolarHBondContact OH-CZ 3.35Å; Y81-L116 PolarHBondContact OH-O 3.22Å; Y81-G117 WeakPolarHBondContact OH-CA 3.48Å; Y81-C150 HydrophobicContact CE2-CB 3.85Å; Y81-E153 HydrophobicContact CD1-CG 4.42Å; Y81-E153 HydrophobicContact CD2-CG 3.79Å; Y81-E153 HydrophobicContact CG-CB 4.38Å; Y81-E153 HydrophobicContact CG-CG 3.71Å | ||
| 82 | K | 93.9 | Very high | 93.1 | Very high | 111 Ų | 111 | 58.9 Ų | 58.9 | 48% | 0.483 | 32% | 0.315 | S | S | . | . | trans | -125 | 113.4 | 178.2 | -178.7 | 163.7 | -170.8 | 179.5 | 0 | 109.9 | L84 T87 A93 | K82-L84 PolarHBondContact O-N 2.97Å; K82-T87 VanDerWaalsContact CE-OG1 3.31Å; K82-T87 WeakPolarHBondContact CE-OG1 3.37Å; K82-A93 HydrophobicContact CB-CB 3.97Å; K82-A93 HydrophobicContact CD-CB 4.08Å; K82-A93 HydrophobicContact CG-CB 3.58Å | ||
| 83 | P | 94 | Very high | 92.7 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.013 | 30% | 0.295 | C | S | . | . | trans | -52.8 | 138.5 | 170.4 | -25.8 | 34.1 | 0 | 0 | 0 | 111.1 | Y81 E85 F86 T87 P118 | Y81-P83 HydrophobicContact CD2-CG 4.43Å; Y81-P83 HydrophobicContact CE2-CG 3.97Å; P83-E85 PolarHBondContact O-N 3.01Å; P83-F86 HydrophobicContact CB-CB 4.26Å; P83-F86 HydrophobicContact CB-CD1 4.05Å; P83-F86 HydrophobicContact CB-CD2 4.48Å; P83-F86 HydrophobicContact CB-CG 4.01Å; P83-F86 HydrophobicContact CG-CD1 4.38Å; P83-F86 HydrophobicContact CG-CD2 4.08Å; P83-F86 HydrophobicContact CG-CE2 4.29Å; P83-F86 HydrophobicContact CG-CG 4.12Å; P83-F86 PolarHBondContact O-N 3.14Å; P83-F86 VanDerWaalsContact O-N 3.08Å; P83-T87 PolarHBondContact O-N 2.81Å; P83-P118 HydrophobicContact CB-CG 4.1Å; P83-P118 HydrophobicContact CG-CG 3.64Å | ||
| 84 | L | 91.5 | Very high | 92.1 | Very high | 91 Ų | 91 | 54.2 Ų | 54.2 | 48% | 0.476 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.2 | -39 | 179.7 | 179.2 | 61.4 | 0 | 0 | 0 | 110.8 | K82 F86 T87 V88 P148 | K82-L84 PolarHBondContact O-N 2.97Å; L84-F86 PolarHBondContact O-N 3.41Å; L84-T87 WeakPolarHBondContact O-CB 3.41Å; L84-T87 PolarHBondContact O-N 3.37Å; L84-V88 PolarHBondContact O-N 3.33Å; L84-P148 HydrophobicContact CB-CB 4.48Å; L84-P148 HydrophobicContact CD2-CB 3.7Å; L84-P148 HydrophobicContact CD2-CG 3.54Å |
| 85 | E | 89.6 | Confident | 91.7 | Very high | 116 Ų | 116 | 57.9 Ų | 57.9 | 54% | 0.542 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.5 | -32.1 | 178.4 | -58.6 | 79.5 | -175.4 | 0 | 0 | 111.9 | P83 A89 | P83-E85 PolarHBondContact O-N 3.01Å; E85-A89 WeakPolarHBondContact O-CB 3.24Å; E85-A89 PolarHBondContact O-N 3.12Å |
| 86 | F | 91.8 | Very high | 91.6 | Very high | 29 Ų | 29 | 57 Ų | 57 | 13% | 0.127 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -77 | -27.5 | 179.1 | -75.1 | 20.4 | 0 | 0 | 0 | 111.5 | P83 L84 G90 R91 D92 A93 P118 | P83-F86 HydrophobicContact CB-CB 4.26Å; P83-F86 HydrophobicContact CB-CD1 4.05Å; P83-F86 HydrophobicContact CB-CD2 4.48Å; P83-F86 HydrophobicContact CB-CG 4.01Å; P83-F86 HydrophobicContact CG-CD1 4.38Å; P83-F86 HydrophobicContact CG-CD2 4.08Å; P83-F86 HydrophobicContact CG-CE2 4.29Å; P83-F86 HydrophobicContact CG-CG 4.12Å; P83-F86 PolarHBondContact O-N 3.14Å; P83-F86 VanDerWaalsContact O-N 3.08Å; L84-F86 PolarHBondContact O-N 3.41Å; F86-G90 PolarHBondContact O-N 3.11Å; F86-G90 VanDerWaalsContact O-N 3.09Å; F86-R91 HydrophobicContact CB-CB 3.92Å; F86-R91 HydrophobicContact CD1-CB 4.36Å; F86-R91 HydrophobicContact CD2-CB 4.09Å; F86-R91 HydrophobicContact CG-CB 3.87Å; F86-R91 PolarHBondContact O-N 3.45Å; F86-D92 WeakPolarHBondContact CD2-O 3.19Å; F86-A93 HydrophobicContact CB-CB 4.46Å; F86-A93 HydrophobicContact CD2-CB 3.9Å; F86-P118 HydrophobicContact CE1-CG 4.44Å; F86-P118 HydrophobicContact CZ-CG 4.36Å |
| 87 | T | 86.4 | Confident | 91.5 | Very high | 73 Ų | 73 | 57.2 Ų | 57.2 | 45% | 0.448 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67 | -48.5 | 177.8 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | K82 P83 L84 A89 G90 | K82-T87 VanDerWaalsContact CE-OG1 3.31Å; K82-T87 WeakPolarHBondContact CE-OG1 3.37Å; P83-T87 PolarHBondContact O-N 2.81Å; L84-T87 WeakPolarHBondContact O-CB 3.41Å; L84-T87 PolarHBondContact O-N 3.37Å; T87-A89 VanDerWaalsContact C-N 3.35Å; T87-G90 PolarHBondContact O-N 3.46Å |
| 88 | V | 84.3 | Confident | 91.5 | Very high | 132 Ų | 132 | 55.9 Ų | 55.9 | 80% | 0.8 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66.1 | -39.9 | 179.2 | 179.8 | 0 | 0 | 0 | 0 | 111.2 | L84 G90 | L84-V88 PolarHBondContact O-N 3.33Å; V88-G90 VanDerWaalsContact C-N 3.26Å; V88-G90 PolarHBondContact O-N 3.21Å |
| 89 | A | 86.7 | Confident | 91.5 | Very high | 58 Ų | 58 | 55.2 Ų | 55.2 | 48% | 0.479 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -0 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | E85 T87 R91 | E85-A89 WeakPolarHBondContact O-CB 3.24Å; E85-A89 PolarHBondContact O-N 3.12Å; T87-A89 VanDerWaalsContact C-N 3.35Å; A89-R91 HydrophobicContact CB-CG 3.89Å; A89-R91 PolarHBondContact O-N 3.09Å |
| 90 | G | 85.9 | Confident | 91.6 | Very high | 66 Ų | 66 | 54.9 Ų | 54.9 | 68% | 0.68 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 25 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | F86 T87 V88 | F86-G90 PolarHBondContact O-N 3.11Å; F86-G90 VanDerWaalsContact O-N 3.09Å; T87-G90 PolarHBondContact O-N 3.46Å; V88-G90 VanDerWaalsContact C-N 3.26Å; V88-G90 PolarHBondContact O-N 3.21Å |
| 91 | R | 88 | Confident | 91.8 | Very high | 157 Ų | 157 | 53.7 Ų | 53.7 | 59% | 0.592 | 30% | 0.298 | S | S | * | . | trans | -80.1 | 146.8 | -179.3 | -67.3 | 179.1 | -178.4 | -172.1 | 0.4 | 110.6 | F86 A89 | F86-R91 HydrophobicContact CB-CB 3.92Å; F86-R91 HydrophobicContact CD1-CB 4.36Å; F86-R91 HydrophobicContact CD2-CB 4.09Å; F86-R91 HydrophobicContact CG-CB 3.87Å; F86-R91 PolarHBondContact O-N 3.45Å; A89-R91 HydrophobicContact CB-CG 3.89Å; A89-R91 PolarHBondContact O-N 3.09Å | ||
| 92 | D | 87.7 | Confident | 91.9 | Very high | 110 Ų | 110 | 53.3 Ų | 53.3 | 59% | 0.588 | 30% | 0.296 | S | S | * | . | trans | -68.1 | 134.6 | 170.3 | -174.8 | 21.7 | 0 | 0 | 0 | 110.3 | F86 S94 | F86-D92 WeakPolarHBondContact CD2-O 3.19Å; D92-S94 VanDerWaalsContact CG-OG 3.27Å; D92-S94 VanDerWaalsContact OD1-CB 3.25Å; D92-S94 WeakPolarHBondContact OD1-CB 3.45Å; D92-S94 PolarHBondContact OD1-N 3.25Å; D92-S94 PolarHBondContact OD1-OG 3.46Å; D92-S94 VanDerWaalsContact OD1-OG 3.1Å; D92-S94 PolarHBondContact OD2-OG 3.11Å | ||
| 93 | A | 87.6 | Confident | 92.2 | Very high | 10 Ų | 10 | 49.9 Ų | 49.9 | 8% | 0.083 | 28% | 0.283 | C | S | . | . | trans | -126.1 | 8.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K82 F86 Q95 C96 | K82-A93 HydrophobicContact CB-CB 3.97Å; K82-A93 HydrophobicContact CD-CB 4.08Å; K82-A93 HydrophobicContact CG-CB 3.58Å; F86-A93 HydrophobicContact CB-CB 4.46Å; F86-A93 HydrophobicContact CD2-CB 3.9Å; A93-Q95 PolarHBondContact O-N 3.24Å; A93-C96 WeakPolarHBondContact O-CB 3.38Å; A93-C96 PolarHBondContact O-N 2.7Å | ||
| 94 | S | 87.6 | Confident | 92.3 | Very high | 66 Ų | 66 | 54.7 Ų | 54.7 | 46% | 0.462 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -29.2 | -179.3 | 63.7 | 0 | 0 | 0 | 0 | 113.2 | H80 D92 | H80-S94 PolarHBondContact CE1-O 3.28Å; H80-S94 PolarHBondContact ND1-O 3.18Å; D92-S94 VanDerWaalsContact CG-OG 3.27Å; D92-S94 VanDerWaalsContact OD1-CB 3.25Å; D92-S94 WeakPolarHBondContact OD1-CB 3.45Å; D92-S94 PolarHBondContact OD1-N 3.25Å; D92-S94 PolarHBondContact OD1-OG 3.46Å; D92-S94 VanDerWaalsContact OD1-OG 3.1Å; D92-S94 PolarHBondContact OD2-OG 3.11Å |
| 95 | Q | 89.5 | Confident | 92.6 | Very high | 81 Ų | 81 | 55.8 Ų | 55.8 | 38% | 0.379 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -12.7 | -179.6 | -64.6 | 174.2 | 57.6 | 0 | 0 | 113.8 | L53 A93 Y97 L116 | L53-Q95 HydrophobicContact CD2-CB 3.59Å; A93-Q95 PolarHBondContact O-N 3.24Å; Q95-Y97 PolarHBondContact O-N 2.9Å; Q95-L116 WeakPolarHBondContact O-CD2 3.37Å |
| 96 | C | 95.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | trans | -68.4 | 123.5 | 176.3 | -74.5 | 0 | 0 | 0 | 0 | 109.6 | H80 Y81 A93 L116 | H80-C96 WeakPolarHBondContact CA-O 3.05Å; H80-C96 PolarHBondContact ND1-O 3.39Å; H80-C96 VanDerWaalsContact ND1-O 3.09Å; Y81-C96 HydrophobicContact CD1-CB 4.04Å; Y81-C96 HydrophobicContact CD2-CB 4.36Å; Y81-C96 HydrophobicContact CE1-CB 3.8Å; Y81-C96 HydrophobicContact CE2-CB 4.14Å; Y81-C96 HydrophobicContact CG-CB 4.31Å; Y81-C96 PolarHBondContact N-O 3Å; Y81-C96 WeakPolarHBondContact O-CB 3.49Å; A93-C96 WeakPolarHBondContact O-CB 3.38Å; A93-C96 PolarHBondContact O-N 2.7Å; C96-L116 VanDerWaalsContact CA-O 3.31Å; C96-L116 WeakPolarHBondContact CA-O 3.49Å | ||
| 97 | Y | 97.8 | Very high | 93.1 | Very high | 11 Ų | 11 | 58.5 Ų | 58.5 | 4% | 0.043 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 144.7 | -170.2 | -179.5 | -95.5 | 0 | 0 | 0 | 111.5 | H78 A79 H80 Q95 K99 L116 M193 | H78-Y97 HydrophobicContact CB-CE1 4.47Å; H78-Y97 HydrophobicContact CB-CE2 3.94Å; H78-Y97 WeakPolarHBondContact CB-OH 3.19Å; H78-Y97 AromaticContact ND1-CE2 3.72Å; H78-Y97 AromaticContact ND1-CZ 3.63Å; H78-Y97 PolarHBondContact ND1-OH 2.79Å; A79-Y97 WeakPolarHBondContact O-CA 3.5Å; A79-Y97 VanDerWaalsContact O-CD2 3.31Å; A79-Y97 WeakPolarHBondContact O-CD2 3.35Å; H80-Y97 AromaticContact CD2-CD2 3.99Å; H80-Y97 AromaticContact CE1-CD2 3.54Å; H80-Y97 AromaticContact ND1-CD2 3.75Å; H80-Y97 AromaticContact NE2-CD2 3.68Å; Q95-Y97 PolarHBondContact O-N 2.9Å; Y97-K99 HydrophobicContact CE1-CB 3.82Å; Y97-K99 HydrophobicContact CE1-CD 4.27Å; Y97-K99 HydrophobicContact CE1-CG 4.05Å; Y97-L116 PolarHBondContact N-O 2.77Å; Y97-L116 PolarHBondContact O-N 3.02Å; Y97-M193 HydrophobicContact CD1-CE 3.56Å; Y97-M193 HydrophobicContact CD1-SD 3.8Å; Y97-M193 HydrophobicContact CE1-CE 4.22Å; Y97-M193 HydrophobicContact CE1-SD 3.85Å |
| 98 | V | 98.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 138.7 | 176.6 | 50 | 0 | 0 | 0 | 0 | 109.5 | H78 A79 Y81 L113 H114 F115 E153 V154 L157 | H78-V98 VanDerWaalsContact CA-O 3.22Å; H78-V98 WeakPolarHBondContact CA-O 3.32Å; H78-V98 WeakPolarHBondContact CB-O 3.42Å; A79-V98 HydrophobicContact CB-CG1 4.35Å; A79-V98 PolarHBondContact N-O 2.81Å; A79-V98 PolarHBondContact O-N 3.3Å; Y81-V98 HydrophobicContact CD1-CG1 4.12Å; Y81-V98 HydrophobicContact CE1-CG1 4.46Å; V98-L113 HydrophobicContact CG2-CD1 4.16Å; V98-H114 WeakPolarHBondContact CA-O 3.25Å; V98-F115 HydrophobicContact CB-CD2 4.01Å; V98-F115 HydrophobicContact CB-CE2 4.49Å; V98-F115 HydrophobicContact CG2-CD2 3.95Å; V98-E153 HydrophobicContact CG1-CB 4.17Å; V98-V154 HydrophobicContact CG2-CG2 4.1Å; V98-L157 HydrophobicContact CG1-CD2 3.71Å; V98-L157 HydrophobicContact CG2-CD1 4.02Å; V98-L157 HydrophobicContact CG2-CD2 4.39Å |
| 99 | K | 98.4 | Very high | 94.3 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 1% | 0.013 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 144.3 | 168.6 | 65.6 | 174.6 | -175 | -173.7 | 0 | 111.8 | V76 Y77 H78 Y97 H114 M193 E197 | V76-K99 HydrophobicContact CG1-CB 4.2Å; Y77-K99 CarbonylContact O-C 3.58Å; Y77-K99 WeakPolarHBondContact O-CA 3.38Å; H78-K99 HydrophobicContact CB-CB 3.96Å; Y97-K99 HydrophobicContact CE1-CB 3.82Å; Y97-K99 HydrophobicContact CE1-CD 4.27Å; Y97-K99 HydrophobicContact CE1-CG 4.05Å; K99-H114 HydrophobicContact CD-CB 4.28Å; K99-H114 HydrophobicContact CG-CB 3.62Å; K99-H114 PolarHBondContact N-O 3.05Å; K99-H114 PolarHBondContact O-N 3.43Å; K99-M193 HydrophobicContact CD-SD 3.97Å; K99-M193 HydrophobicContact CG-SD 4.18Å; K99-E197 WeakPolarHBondContact CE-OE1 3.47Å; K99-E197 IonicContact NZ-OE1 3Å; K99-E197 PolarHBondContact NZ-OE1 2.76Å; K99-E197 IonicContact NZ-OE2 3.81Å; K99-E197 PolarHBondContact NZ-OE2 3.38Å |
| 100 | M | 98.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 124.6 | 175 | -177.4 | 178.8 | -67.9 | 0 | 0 | 109.1 | V76 Y77 V110 L113 Y137 V140 V154 L157 | V76-M100 WeakPolarHBondContact CA-O 3.27Å; Y77-M100 PolarHBondContact N-O 3.17Å; Y77-M100 PolarHBondContact O-N 3.27Å; M100-V110 HydrophobicContact CG-CG1 3.73Å; M100-V110 HydrophobicContact CG-CG2 4.29Å; M100-V110 HydrophobicContact SD-CG1 4.1Å; M100-V110 HydrophobicContact SD-CG2 3.67Å; M100-L113 HydrophobicContact CB-CD1 4.34Å; M100-L113 HydrophobicContact CE-CD1 4.13Å; M100-Y137 HydrophobicContact SD-CD2 4.37Å; M100-V140 HydrophobicContact CE-CB 4.4Å; M100-V140 HydrophobicContact CE-CG1 3.79Å; M100-V140 HydrophobicContact CE-CG2 4.12Å; M100-V140 HydrophobicContact SD-CG2 4.38Å; M100-V154 HydrophobicContact CE-CG1 3.44Å; M100-V154 VanDerWaalsContact CE-CG1 3.44Å; M100-L157 HydrophobicContact CB-CD1 3.62Å; M100-L157 HydrophobicContact CE-CD1 4.3Å |
| 101 | V | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 123.6 | 179.4 | -174 | 0 | 0 | 0 | 0 | 108.1 | E62 A65 V74 V76 L111 G112 | E62-V101 HydrophobicContact CB-CG2 4.44Å; A65-V101 HydrophobicContact CB-CG1 3.55Å; V74-V101 HydrophobicContact CG1-CG1 3.79Å; V76-V101 HydrophobicContact CG2-CG2 4.45Å; V101-L111 HydrophobicContact CG1-CB 4.37Å; V101-L111 PolarHBondContact O-N 3.09Å; V101-G112 PolarHBondContact N-O 3.32Å; V101-G112 PolarHBondContact O-N 3.22Å |
| 102 | C | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 154.8 | -175 | -62.6 | 0 | 0 | 0 | 0 | 111.6 | V74 E75 Y77 L109 | V74-C102 WeakPolarHBondContact CA-O 3.38Å; E75-C102 PolarHBondContact N-O 2.77Å; E75-C102 PolarHBondContact O-N 2.93Å; Y77-C102 HydrophobicContact CE2-CB 4.47Å; C102-L109 CarbonylContact C-O 3.5Å; C102-L109 VanDerWaalsContact CA-O 3.3Å; C102-L109 WeakPolarHBondContact CA-O 3.47Å |
| 103 | L | 98.6 | Very high | 96.4 | Very high | 39 Ų | 39 | 37.3 Ų | 37.3 | 20% | 0.204 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 145.1 | 157.9 | -69.1 | 174.2 | 0 | 0 | 0 | 110.1 | H69 H73 Q108 L109 L111 | H69-L103 HydrophobicContact CB-CD2 4.26Å; H73-L103 CarbonylContact O-C 3.59Å; H73-L103 WeakPolarHBondContact O-CA 3.45Å; L103-Q108 VanDerWaalsContact O-CA 3.27Å; L103-Q108 WeakPolarHBondContact O-CA 3.47Å; L103-Q108 WeakPolarHBondContact O-CB 3.47Å; L103-L109 HydrophobicContact CD1-CB 4.28Å; L103-L109 PolarHBondContact N-O 3.4Å; L103-L111 HydrophobicContact CD1-CD2 4.29Å; L103-L111 HydrophobicContact CD2-CD1 3.82Å; L103-L111 HydrophobicContact CG-CD1 3.92Å; L103-L111 HydrophobicContact CG-CD2 4Å; L103-L111 HydrophobicContact CG-CG 4.07Å |
| 104 | R | 97.8 | Very high | 97 | Very high | 104 Ų | 104 | 36.9 Ų | 36.9 | 39% | 0.392 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -78.9 | -37.4 | 174.4 | -74.4 | 178 | 84.9 | -140.4 | -6.4 | 112.6 | E72 H73 V74 E75 Q108 | E72-R104 WeakPolarHBondContact O-CD 2.96Å; E72-R104 PolarHBondContact O-NH1 2.96Å; H73-R104 PolarHBondContact O-N 3.2Å; V74-R104 WeakPolarHBondContact O-CD 3.34Å; E75-R104 HydrophobicContact CB-CG 3.7Å; E75-R104 IonicContact OE2-NE 3.07Å; E75-R104 PolarHBondContact OE2-NE 2.96Å; R104-Q108 WeakPolarHBondContact O-CG 3.49Å; R104-Q108 PolarHBondContact O-NE2 2.66Å |
| 105 | E | 96.4 | Very high | 97.5 | Very high | 113 Ų | 113 | 33.7 Ų | 33.7 | 53% | 0.528 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -71.1 | 143.9 | -179.2 | -71.1 | 176.1 | -161 | 0 | 0 | 110.9 | H73 Q108 | H73-E105 IonicContact CE1-OE1 2.98Å; H73-E105 PolarHBondContact CE1-OE1 3.21Å; H73-E105 IonicContact ND1-OE1 2.71Å; H73-E105 PolarHBondContact ND1-OE1 2.86Å; E105-Q108 WeakPolarHBondContact O-CA 3.5Å; E105-Q108 PolarHBondContact O-N 2.89Å |
| 106 | P | 95.6 | Very high | 97.9 | Very high | 121 Ų | 121 | 30.8 Ų | 30.8 | 79% | 0.786 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 136.3 | 171.5 | -25.4 | 34.8 | 0 | 0 | 0 | 111.3 | ||
| 107 | P | 95.9 | Very high | 98 | Very high | 81 Ų | 81 | 30.8 Ų | 30.8 | 53% | 0.526 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -89 | 13.7 | 11.9 | 35.9 | -36.7 | 0 | 0 | 0 | 114.8 | L109 S136 | P107-L109 HydrophobicContact CG-CD2 3.71Å; P107-L109 HydrophobicContact CG-CG 3.87Å; P107-S136 WeakPolarHBondContact O-CB 3.34Å |
| 108 | Q | 97.4 | Very high | 97.9 | Very high | 56 Ų | 56 | 31.5 Ų | 31.5 | 26% | 0.262 | 17% | 0.167 | S | C | . | . | trans | 61.7 | 52.6 | -176.1 | -56.2 | -178.8 | -37.2 | 0 | 0 | 112.6 | L103 R104 E105 V110 S136 Y137 | L103-Q108 VanDerWaalsContact O-CA 3.27Å; L103-Q108 WeakPolarHBondContact O-CA 3.47Å; L103-Q108 WeakPolarHBondContact O-CB 3.47Å; R104-Q108 WeakPolarHBondContact O-CG 3.49Å; R104-Q108 PolarHBondContact O-NE2 2.66Å; E105-Q108 WeakPolarHBondContact O-CA 3.5Å; E105-Q108 PolarHBondContact O-N 2.89Å; Q108-V110 PolarHBondContact O-N 2.95Å; Q108-S136 CarbonylContact O-C 3.57Å; Q108-S136 VanDerWaalsContact O-CA 3.26Å; Q108-S136 WeakPolarHBondContact O-CA 3.19Å; Q108-Y137 PolarHBondContact O-N 3.01Å | ||
| 109 | L | 98.4 | Very high | 97.9 | Very high | 63 Ų | 63 | 36.2 Ų | 36.2 | 33% | 0.33 | 19% | 0.192 | S | C | . | . | B | Isolated β-bridge | trans | -57 | 137.1 | 178.7 | -63.7 | 179 | 0 | 0 | 0 | 110.9 | C102 L103 P107 L111 G134 | C102-L109 CarbonylContact C-O 3.5Å; C102-L109 VanDerWaalsContact CA-O 3.3Å; C102-L109 WeakPolarHBondContact CA-O 3.47Å; L103-L109 HydrophobicContact CD1-CB 4.28Å; L103-L109 PolarHBondContact N-O 3.4Å; P107-L109 HydrophobicContact CG-CD2 3.71Å; P107-L109 HydrophobicContact CG-CG 3.87Å; L109-L111 PolarHBondContact O-N 2.84Å; L109-G134 WeakPolarHBondContact CD2-O 3.16Å |
| 110 | V | 98.6 | Very high | 97.9 | Very high | 9 Ų | 9 | 36 Ų | 36 | 6% | 0.055 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 115.2 | 170.2 | -177.6 | 0 | 0 | 0 | 0 | 108 | M100 Q108 I131 A135 V140 | M100-V110 HydrophobicContact CG-CG1 3.73Å; M100-V110 HydrophobicContact CG-CG2 4.29Å; M100-V110 HydrophobicContact SD-CG1 4.1Å; M100-V110 HydrophobicContact SD-CG2 3.67Å; Q108-V110 PolarHBondContact O-N 2.95Å; V110-I131 HydrophobicContact CB-CG1 4.13Å; V110-I131 HydrophobicContact CG1-CD1 3.91Å; V110-I131 HydrophobicContact CG1-CG1 3.82Å; V110-A135 WeakPolarHBondContact CG2-O 3.31Å; V110-A135 PolarHBondContact N-O 3.46Å; V110-V140 HydrophobicContact CG2-CG2 4.23Å |
| 111 | L | 98.4 | Very high | 97.8 | Very high | 23 Ų | 23 | 36.7 Ų | 36.7 | 12% | 0.12 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -28.6 | 178.7 | -61.2 | -179.7 | 0 | 0 | 0 | 112.2 | G59 L60 A65 V101 L103 L109 | G59-L111 CarbonylContact C-O 3.49Å; G59-L111 VanDerWaalsContact CA-O 3.31Å; G59-L111 WeakPolarHBondContact CA-O 3.12Å; L60-L111 HydrophobicContact CD1-CB 4.34Å; L60-L111 HydrophobicContact CD1-CD1 4.49Å; L60-L111 PolarHBondContact N-O 3.37Å; A65-L111 HydrophobicContact CB-CD1 4.12Å; V101-L111 HydrophobicContact CG1-CB 4.37Å; V101-L111 PolarHBondContact O-N 3.09Å; L103-L111 HydrophobicContact CD1-CD2 4.29Å; L103-L111 HydrophobicContact CD2-CD1 3.82Å; L103-L111 HydrophobicContact CG-CD1 3.92Å; L103-L111 HydrophobicContact CG-CD2 4Å; L103-L111 HydrophobicContact CG-CG 4.07Å; L109-L111 PolarHBondContact O-N 2.84Å |
| 112 | G | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 152 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V58 V101 | V58-G112 CarbonylContact O-C 3.54Å; V58-G112 WeakPolarHBondContact O-CA 3.4Å; V101-G112 PolarHBondContact N-O 3.32Å; V101-G112 PolarHBondContact O-N 3.22Å |
| 113 | L | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 135.5 | 171.7 | 177.9 | 70.8 | 0 | 0 | 0 | 108.7 | C57 V58 V98 M100 F127 I131 V154 | C57-L113 CarbonylContact C-O 3.59Å; C57-L113 VanDerWaalsContact CA-O 3.24Å; C57-L113 WeakPolarHBondContact CA-O 3.49Å; V58-L113 HydrophobicContact CG1-CB 4Å; V58-L113 PolarHBondContact N-O 2.93Å; V58-L113 PolarHBondContact O-N 2.76Å; V98-L113 HydrophobicContact CG2-CD1 4.16Å; M100-L113 HydrophobicContact CB-CD1 4.34Å; M100-L113 HydrophobicContact CE-CD1 4.13Å; L113-F127 HydrophobicContact CD2-CB 3.36Å; L113-F127 HydrophobicContact CD2-CD1 4.27Å; L113-F127 HydrophobicContact CD2-CD2 3.56Å; L113-F127 HydrophobicContact CD2-CE2 4.45Å; L113-F127 HydrophobicContact CD2-CG 3.46Å; L113-F127 VanDerWaalsContact CD2-CG 3.46Å; L113-I131 HydrophobicContact CB-CD1 4.1Å; L113-V154 HydrophobicContact CD1-CG1 3.9Å; L113-V154 HydrophobicContact CD1-CG2 4.25Å; L113-V154 HydrophobicContact CD2-CG1 4.31Å; L113-V154 HydrophobicContact CD2-CG2 4.42Å |
| 114 | H | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 128.2 | -179.2 | -56 | -102.3 | 0 | 0 | 0 | 108.9 | Y55 L60 V98 K99 M193 E197 | Y55-H114 HydrophobicContact CE2-CB 4.08Å; Y55-H114 AromaticContact CZ-ND1 3.95Å; Y55-H114 PolarHBondContact OH-ND1 2.87Å; L60-H114 PolarHBondContact O-NE2 2.71Å; V98-H114 WeakPolarHBondContact CA-O 3.25Å; K99-H114 HydrophobicContact CD-CB 4.28Å; K99-H114 HydrophobicContact CG-CB 3.62Å; K99-H114 PolarHBondContact N-O 3.05Å; K99-H114 PolarHBondContact O-N 3.43Å; H114-M193 HydrophobicContact CB-SD 4.25Å; H114-E197 IonicContact CE1-OE1 3.52Å; H114-E197 PolarHBondContact CE1-OE1 2.7Å; H114-E197 IonicContact CG-OE1 3.52Å; H114-E197 IonicContact ND1-OE1 2.66Å; H114-E197 PolarHBondContact ND1-OE1 2.99Å; H114-E197 IonicContact NE2-OE1 2.77Å |
| 115 | F | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 118.8 | -169.7 | -170 | -88.2 | 0 | 0 | 0 | 109.3 | Y55 G56 Y81 V98 A120 V123 C150 V154 | Y55-F115 CarbonylContact C-O 3.35Å; Y55-F115 WeakPolarHBondContact CA-O 3.2Å; G56-F115 PolarHBondContact N-O 3.47Å; G56-F115 PolarHBondContact O-N 3.3Å; Y81-F115 HydrophobicContact CE1-CE2 4.24Å; Y81-F115 HydrophobicContact CE1-CZ 4.3Å; Y81-F115 HydrophobicContact CE2-CZ 4.3Å; Y81-F115 AromaticContact CZ-CZ 3.64Å; Y81-F115 WeakPolarHBondContact OH-CE1 3.49Å; Y81-F115 WeakPolarHBondContact OH-CZ 3.35Å; V98-F115 HydrophobicContact CB-CD2 4.01Å; V98-F115 HydrophobicContact CB-CE2 4.49Å; V98-F115 HydrophobicContact CG2-CD2 3.95Å; F115-A120 HydrophobicContact CD1-CB 3.76Å; F115-A120 HydrophobicContact CE1-CB 4.4Å; F115-V123 HydrophobicContact CD1-CB 4.32Å; F115-V123 HydrophobicContact CD1-CG1 4.4Å; F115-V123 HydrophobicContact CD2-CG1 3.88Å; F115-V123 HydrophobicContact CE1-CB 4.21Å; F115-V123 HydrophobicContact CE1-CG1 4.38Å; F115-V123 HydrophobicContact CE1-CG2 3.92Å; F115-V123 HydrophobicContact CE2-CG1 3.89Å; F115-V123 HydrophobicContact CE2-CG2 4.46Å; F115-V123 HydrophobicContact CG-CG1 4.12Å; F115-V123 HydrophobicContact CZ-CB 4.31Å; F115-V123 HydrophobicContact CZ-CG1 4.11Å; F115-V123 HydrophobicContact CZ-CG2 3.87Å; F115-C150 HydrophobicContact CZ-CB 3.9Å; F115-V154 HydrophobicContact CD2-CG2 4.29Å; F115-V154 HydrophobicContact CE2-CG2 4.45Å |
| 116 | L | 98.3 | Very high | 97.8 | Very high | 20 Ų | 20 | 40.6 Ų | 40.6 | 11% | 0.105 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 111.3 | 178.4 | 178.5 | 65.3 | 0 | 0 | 0 | 108.2 | L53 E54 Y55 Y81 Q95 C96 Y97 M193 | L53-L116 HydrophobicContact CB-CD1 4.48Å; L53-L116 HydrophobicContact CD2-CD1 3.98Å; L53-L116 HydrophobicContact CD2-CD2 4.33Å; L53-L116 HydrophobicContact CD2-CG 3.8Å; L53-L116 HydrophobicContact CG-CD1 4.04Å; L53-L116 HydrophobicContact CG-CG 4.25Å; E54-L116 WeakPolarHBondContact O-CA 3.34Å; E54-L116 WeakPolarHBondContact O-CD1 3.38Å; Y55-L116 HydrophobicContact CD2-CB 4.48Å; Y81-L116 PolarHBondContact OH-O 3.22Å; Q95-L116 WeakPolarHBondContact O-CD2 3.37Å; C96-L116 VanDerWaalsContact CA-O 3.31Å; C96-L116 WeakPolarHBondContact CA-O 3.49Å; Y97-L116 PolarHBondContact N-O 2.77Å; Y97-L116 PolarHBondContact O-N 3.02Å; L116-M193 HydrophobicContact CB-CE 3.53Å; L116-M193 HydrophobicContact CD2-CE 4.27Å |
| 117 | G | 97.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 160.7 | -173.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | E54 Y81 | E54-G117 WeakPolarHBondContact CB-O 3.44Å; E54-G117 PolarHBondContact O-N 3.49Å; Y81-G117 WeakPolarHBondContact OH-CA 3.48Å |
| 118 | P | 96.3 | Very high | 98 | Very high | 27 Ų | 27 | 33.3 Ų | 33.3 | 18% | 0.175 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 143.5 | -177.1 | 28.2 | -35 | 0 | 0 | 0 | 111.9 | P83 F86 A120 | P83-P118 HydrophobicContact CB-CG 4.1Å; P83-P118 HydrophobicContact CG-CG 3.64Å; F86-P118 HydrophobicContact CE1-CG 4.44Å; F86-P118 HydrophobicContact CZ-CG 4.36Å; P118-A120 VanDerWaalsContact C-N 3.28Å; P118-A120 PolarHBondContact O-N 2.88Å |
| 119 | N | 97.6 | Very high | 98 | Very high | 98 Ų | 98 | 36.2 Ų | 36.2 | 52% | 0.524 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 38.4 | 178.4 | -47.2 | -59.4 | 0 | 0 | 0 | 113 | E54 G121 E122 V123 | E54-N119 VanDerWaalsContact OE2-CA 3.3Å; E54-N119 WeakPolarHBondContact OE2-CA 3.44Å; E54-N119 PolarHBondContact OE2-N 3.24Å; N119-G121 PolarHBondContact O-N 3.36Å; N119-E122 HydrophobicContact CB-CB 4.3Å; N119-E122 HydrophobicContact CB-CG 4.23Å; N119-E122 PolarHBondContact O-N 2.61Å; N119-E122 VanDerWaalsContact O-N 3.16Å; N119-V123 PolarHBondContact O-N 2.86Å |
| 120 | A | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.5 | -32.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T48 E54 F115 P118 T124 | T48-A120 HydrophobicContact CG2-CB 4.43Å; E54-A120 HydrophobicContact CB-CB 3.64Å; E54-A120 PolarHBondContact OE2-N 3.47Å; F115-A120 HydrophobicContact CD1-CB 3.76Å; F115-A120 HydrophobicContact CE1-CB 4.4Å; P118-A120 VanDerWaalsContact C-N 3.28Å; P118-A120 PolarHBondContact O-N 2.88Å; A120-T124 WeakPolarHBondContact O-CB 3.4Å; A120-T124 PolarHBondContact O-N 2.9Å; A120-T124 PolarHBondContact O-OG1 2.93Å |
| 121 | G | 97.9 | Very high | 97.9 | Very high | 15 Ų | 15 | 34.8 Ų | 34.8 | 16% | 0.155 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | T48 N119 T124 Q125 | T48-G121 VanDerWaalsContact OG1-CA 3.24Å; T48-G121 WeakPolarHBondContact OG1-CA 3.5Å; N119-G121 PolarHBondContact O-N 3.36Å; G121-T124 PolarHBondContact O-N 2.79Å; G121-Q125 WeakPolarHBondContact O-CB 3.25Å; G121-Q125 PolarHBondContact O-N 3.27Å |
| 122 | E | 98.3 | Very high | 97.8 | Very high | 153 Ų | 153 | 39.1 Ų | 39.1 | 72% | 0.715 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -64.3 | -44.2 | 179.4 | -57.7 | -58 | 159.1 | 0 | 0 | 111.6 | N119 | N119-E122 HydrophobicContact CB-CB 4.3Å; N119-E122 HydrophobicContact CB-CG 4.23Å; N119-E122 PolarHBondContact O-N 2.61Å; N119-E122 VanDerWaalsContact O-N 3.16Å |
| 123 | V | 98 | Very high | 97.7 | Very high | 14 Ų | 14 | 44 Ų | 44 | 9% | 0.085 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.9 | -51.2 | 175.9 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | F115 N119 Q125 G126 F127 V154 | F115-V123 HydrophobicContact CD1-CB 4.32Å; F115-V123 HydrophobicContact CD1-CG1 4.4Å; F115-V123 HydrophobicContact CD2-CG1 3.88Å; F115-V123 HydrophobicContact CE1-CB 4.21Å; F115-V123 HydrophobicContact CE1-CG1 4.38Å; F115-V123 HydrophobicContact CE1-CG2 3.92Å; F115-V123 HydrophobicContact CE2-CG1 3.89Å; F115-V123 HydrophobicContact CE2-CG2 4.46Å; F115-V123 HydrophobicContact CG-CG1 4.12Å; F115-V123 HydrophobicContact CZ-CB 4.31Å; F115-V123 HydrophobicContact CZ-CG1 4.11Å; F115-V123 HydrophobicContact CZ-CG2 3.87Å; N119-V123 PolarHBondContact O-N 2.86Å; V123-Q125 VanDerWaalsContact C-N 3.33Å; V123-Q125 PolarHBondContact O-N 3.11Å; V123-G126 PolarHBondContact O-N 2.92Å; V123-F127 HydrophobicContact CG1-CD2 4.07Å; V123-F127 HydrophobicContact CG1-CE2 4.01Å; V123-F127 VanDerWaalsContact O-CD2 3.29Å; V123-F127 WeakPolarHBondContact O-CD2 3.23Å; V123-V154 HydrophobicContact CG1-CG2 4.36Å |
| 124 | T | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64 | -37.2 | -173.8 | -58.1 | 0 | 0 | 0 | 0 | 112.2 | P46 G56 C57 V58 A120 G121 G126 F127 A128 | P46-T124 HydrophobicContact CB-CG2 3.96Å; G56-T124 WeakPolarHBondContact CA-OG1 3.38Å; C57-T124 WeakPolarHBondContact O-CG2 3.22Å; V58-T124 HydrophobicContact CB-CG2 4.06Å; V58-T124 HydrophobicContact CG1-CG2 3.97Å; A120-T124 WeakPolarHBondContact O-CB 3.4Å; A120-T124 PolarHBondContact O-N 2.9Å; A120-T124 PolarHBondContact O-OG1 2.93Å; G121-T124 PolarHBondContact O-N 2.79Å; T124-G126 VanDerWaalsContact C-N 3.33Å; T124-G126 PolarHBondContact O-N 3.44Å; T124-F127 PolarHBondContact O-N 2.85Å; T124-A128 WeakPolarHBondContact O-CB 3.43Å; T124-A128 PolarHBondContact O-N 3.02Å |
| 125 | Q | 98.4 | Very high | 97.6 | Very high | 119 Ų | 119 | 46.5 Ų | 46.5 | 56% | 0.556 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -58.9 | -40.7 | -177 | -177.5 | 58.2 | 76.7 | 0 | 0 | 113 | G121 V123 | G121-Q125 WeakPolarHBondContact O-CB 3.25Å; G121-Q125 PolarHBondContact O-N 3.27Å; V123-Q125 VanDerWaalsContact C-N 3.33Å; V123-Q125 PolarHBondContact O-N 3.11Å |
| 126 | G | 97.1 | Very high | 97.6 | Very high | 52 Ų | 52 | 47 Ų | 47 | 54% | 0.536 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.7 | -46.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | V123 T124 A128 L129 G130 | V123-G126 PolarHBondContact O-N 2.92Å; T124-G126 VanDerWaalsContact C-N 3.33Å; T124-G126 PolarHBondContact O-N 3.44Å; G126-A128 VanDerWaalsContact C-N 3.29Å; G126-A128 PolarHBondContact O-N 3.48Å; G126-L129 PolarHBondContact O-N 2.87Å; G126-G130 PolarHBondContact O-N 2.95Å |
| 127 | F | 97.9 | Very high | 97.6 | Very high | 43 Ų | 43 | 47.5 Ų | 47.5 | 19% | 0.189 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.8 | -26.5 | 179.2 | -72.9 | -72.1 | 0 | 0 | 0 | 113.3 | L113 V123 T124 L129 G130 I131 V154 | L113-F127 HydrophobicContact CD2-CB 3.36Å; L113-F127 HydrophobicContact CD2-CD1 4.27Å; L113-F127 HydrophobicContact CD2-CD2 3.56Å; L113-F127 HydrophobicContact CD2-CE2 4.45Å; L113-F127 HydrophobicContact CD2-CG 3.46Å; L113-F127 VanDerWaalsContact CD2-CG 3.46Å; V123-F127 HydrophobicContact CG1-CD2 4.07Å; V123-F127 HydrophobicContact CG1-CE2 4.01Å; V123-F127 VanDerWaalsContact O-CD2 3.29Å; V123-F127 WeakPolarHBondContact O-CD2 3.23Å; T124-F127 PolarHBondContact O-N 2.85Å; F127-L129 VanDerWaalsContact C-N 3.29Å; F127-L129 PolarHBondContact O-N 3.22Å; F127-G130 WeakPolarHBondContact O-CA 3.22Å; F127-G130 PolarHBondContact O-N 3.1Å; F127-G130 VanDerWaalsContact O-N 3.1Å; F127-I131 WeakPolarHBondContact O-CG1 3.4Å; F127-I131 PolarHBondContact O-N 3.4Å; F127-V154 HydrophobicContact CD1-CG1 4.02Å; F127-V154 HydrophobicContact CD2-CG1 4.34Å; F127-V154 HydrophobicContact CD2-CG2 4.26Å; F127-V154 HydrophobicContact CE1-CB 4.08Å; F127-V154 HydrophobicContact CE1-CG1 3.49Å; F127-V154 VanDerWaalsContact CE1-CG1 3.49Å; F127-V154 HydrophobicContact CE2-CB 3.76Å; F127-V154 HydrophobicContact CE2-CG1 3.86Å; F127-V154 HydrophobicContact CE2-CG2 3.62Å; F127-V154 HydrophobicContact CG-CG1 4.43Å; F127-V154 HydrophobicContact CZ-CB 3.47Å; F127-V154 VanDerWaalsContact CZ-CB 3.47Å; F127-V154 HydrophobicContact CZ-CG1 3.42Å; F127-V154 VanDerWaalsContact CZ-CG1 3.42Å; F127-V154 HydrophobicContact CZ-CG2 3.91Å |
| 128 | A | 97.8 | Very high | 97.6 | Very high | 6 Ų | 6 | 49.3 Ų | 49.3 | 5% | 0.05 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.5 | -41.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P46 V58 T124 G126 K132 | P46-A128 HydrophobicContact CB-CB 3.78Å; P46-A128 HydrophobicContact CG-CB 3.7Å; V58-A128 HydrophobicContact CB-CB 4.29Å; V58-A128 HydrophobicContact CG1-CB 4.41Å; V58-A128 HydrophobicContact CG2-CB 3.84Å; T124-A128 WeakPolarHBondContact O-CB 3.43Å; T124-A128 PolarHBondContact O-N 3.02Å; G126-A128 VanDerWaalsContact C-N 3.29Å; G126-A128 PolarHBondContact O-N 3.48Å; A128-K132 WeakPolarHBondContact O-CB 3.44Å; A128-K132 PolarHBondContact O-N 3.01Å |
| 129 | L | 97.4 | Very high | 97.6 | Very high | 116 Ų | 116 | 53.2 Ų | 53.2 | 61% | 0.607 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.8 | -44.2 | 173.1 | 178.8 | 62.2 | 0 | 0 | 0 | 111 | G126 F127 I131 K132 C133 | G126-L129 PolarHBondContact O-N 2.87Å; F127-L129 VanDerWaalsContact C-N 3.29Å; F127-L129 PolarHBondContact O-N 3.22Å; L129-I131 PolarHBondContact O-N 3.21Å; L129-K132 WeakPolarHBondContact O-CB 3.22Å; L129-K132 PolarHBondContact O-N 3.23Å; L129-C133 PolarHBondContact O-N 2.91Å; L129-C133 PolarHBondContact O-SG 3.26Å; L129-C133 VanDerWaalsContact O-SG 3.33Å |
| 130 | G | 97 | Very high | 97.7 | Very high | 28 Ų | 28 | 49 Ų | 49 | 29% | 0.289 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56.9 | -49.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G126 F127 K132 C133 G134 A135 | G126-G130 PolarHBondContact O-N 2.95Å; F127-G130 WeakPolarHBondContact O-CA 3.22Å; F127-G130 PolarHBondContact O-N 3.1Å; F127-G130 VanDerWaalsContact O-N 3.1Å; G130-K132 VanDerWaalsContact C-N 3.32Å; G130-K132 PolarHBondContact O-N 2.91Å; G130-C133 CarbonylContact O-C 3.53Å; G130-C133 WeakPolarHBondContact O-CA 3.49Å; G130-C133 PolarHBondContact O-N 2.96Å; G130-C133 VanDerWaalsContact O-N 3.11Å; G130-G134 PolarHBondContact O-N 3.4Å; G130-A135 WeakPolarHBondContact O-CB 3.22Å; G130-A135 PolarHBondContact O-N 3.33Å |
| 131 | I | 97.2 | Very high | 97.6 | Very high | 15 Ų | 15 | 51.1 Ų | 51.1 | 8% | 0.077 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 177.1 | -70.8 | 164.5 | 0 | 0 | 0 | 110.7 | N44 V58 V110 L113 F127 L129 C133 G134 | N44-I131 HydrophobicContact CB-CG2 4.41Å; V58-I131 HydrophobicContact CG1-CD1 3.53Å; V58-I131 HydrophobicContact CG2-CD1 4.45Å; V110-I131 HydrophobicContact CB-CG1 4.13Å; V110-I131 HydrophobicContact CG1-CD1 3.91Å; V110-I131 HydrophobicContact CG1-CG1 3.82Å; L113-I131 HydrophobicContact CB-CD1 4.1Å; F127-I131 WeakPolarHBondContact O-CG1 3.4Å; F127-I131 PolarHBondContact O-N 3.4Å; L129-I131 PolarHBondContact O-N 3.21Å; I131-C133 PolarHBondContact O-N 3.03Å; I131-G134 PolarHBondContact O-N 3.36Å |
| 132 | K | 95.4 | Very high | 97.5 | Very high | 114 Ų | 114 | 60.7 Ų | 60.7 | 50% | 0.496 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.8 | -31.1 | 175.8 | -166.8 | 161.2 | -170.5 | 144.7 | 0 | 113.1 | D41 A128 L129 G130 G134 | D41-K132 WeakPolarHBondContact OD2-CE 3.36Å; D41-K132 IonicContact OD2-NZ 3.76Å; D41-K132 PolarHBondContact OD2-NZ 3.42Å; A128-K132 WeakPolarHBondContact O-CB 3.44Å; A128-K132 PolarHBondContact O-N 3.01Å; L129-K132 WeakPolarHBondContact O-CB 3.22Å; L129-K132 PolarHBondContact O-N 3.23Å; G130-K132 VanDerWaalsContact C-N 3.32Å; G130-K132 PolarHBondContact O-N 2.91Å; K132-G134 VanDerWaalsContact C-N 3.26Å; K132-G134 PolarHBondContact O-N 3.27Å |
| 133 | C | 96.9 | Very high | 97.5 | Very high | 101 Ų | 101 | 57.2 Ų | 57.2 | 68% | 0.682 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | 4.2 | 173.2 | -67.7 | 0 | 0 | 0 | 0 | 114 | L129 G130 I131 | L129-C133 PolarHBondContact O-N 2.91Å; L129-C133 PolarHBondContact O-SG 3.26Å; L129-C133 VanDerWaalsContact O-SG 3.33Å; G130-C133 CarbonylContact O-C 3.53Å; G130-C133 WeakPolarHBondContact O-CA 3.49Å; G130-C133 PolarHBondContact O-N 2.96Å; G130-C133 VanDerWaalsContact O-N 3.11Å; I131-C133 PolarHBondContact O-N 3.03Å |
| 134 | G | 96.8 | Very high | 97.5 | Very high | 36 Ų | 36 | 63 Ų | 63 | 37% | 0.371 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 35.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L109 G130 I131 K132 S136 | L109-G134 WeakPolarHBondContact CD2-O 3.16Å; G130-G134 PolarHBondContact O-N 3.4Å; I131-G134 PolarHBondContact O-N 3.36Å; K132-G134 VanDerWaalsContact C-N 3.26Å; K132-G134 PolarHBondContact O-N 3.27Å; G134-S136 PolarHBondContact O-N 3.13Å |
| 135 | A | 97.9 | Very high | 97.3 | Very high | 18 Ų | 18 | 64.5 Ų | 64.5 | 15% | 0.149 | 37% | 0.37 | C | S | . | . | trans | -53.6 | 134.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V110 G130 | V110-A135 WeakPolarHBondContact CG2-O 3.31Å; V110-A135 PolarHBondContact N-O 3.46Å; G130-A135 WeakPolarHBondContact O-CB 3.22Å; G130-A135 PolarHBondContact O-N 3.33Å | ||
| 136 | S | 98.5 | Very high | 97.3 | Very high | 10 Ų | 10 | 65 Ų | 65 | 7% | 0.07 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -101.4 | 154.7 | 171.2 | 55 | 0 | 0 | 0 | 0 | 111.7 | P107 Q108 G134 A138 Q139 V140 | P107-S136 WeakPolarHBondContact O-CB 3.34Å; Q108-S136 CarbonylContact O-C 3.57Å; Q108-S136 VanDerWaalsContact O-CA 3.26Å; Q108-S136 WeakPolarHBondContact O-CA 3.19Å; G134-S136 PolarHBondContact O-N 3.13Å; S136-A138 PolarHBondContact O-N 2.87Å; S136-Q139 WeakPolarHBondContact O-CB 3.19Å; S136-Q139 PolarHBondContact O-N 2.89Å; S136-Q139 VanDerWaalsContact OG-CD 3.27Å; S136-Q139 VanDerWaalsContact OG-CG 3.24Å; S136-Q139 WeakPolarHBondContact OG-CG 3.47Å; S136-Q139 PolarHBondContact OG-N 2.78Å; S136-Q139 PolarHBondContact OG-OE1 3.1Å; S136-V140 WeakPolarHBondContact O-CG2 3.48Å; S136-V140 PolarHBondContact O-N 2.82Å |
| 137 | Y | 98.3 | Very high | 97.2 | Very high | 31 Ų | 31 | 69.7 Ų | 69.7 | 12% | 0.122 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -50.2 | -43.7 | 170.7 | 173.3 | -105.5 | 0 | 0 | 0 | 111.9 | Y77 M100 Q108 Q139 V140 M141 L157 | Y77-Y137 AromaticContact CD1-CE2 3.85Å; Y77-Y137 HydrophobicContact CD1-CE2 3.85Å; Y77-Y137 AromaticContact CD2-CD2 3.69Å; Y77-Y137 HydrophobicContact CD2-CD2 3.69Å; Y77-Y137 AromaticContact CD2-CE2 3.62Å; Y77-Y137 HydrophobicContact CD2-CE2 3.62Å; Y77-Y137 HydrophobicContact CD2-CG 4.43Å; Y77-Y137 HydrophobicContact CE1-CE1 4.21Å; Y77-Y137 AromaticContact CE1-CE2 3.84Å; Y77-Y137 HydrophobicContact CE1-CE2 3.84Å; Y77-Y137 AromaticContact CE1-CZ 3.58Å; Y77-Y137 WeakPolarHBondContact CE1-OH 3.08Å; Y77-Y137 HydrophobicContact CE2-CD1 4.22Å; Y77-Y137 AromaticContact CE2-CD2 3.58Å; Y77-Y137 HydrophobicContact CE2-CD2 3.58Å; Y77-Y137 HydrophobicContact CE2-CE1 4.23Å; Y77-Y137 AromaticContact CE2-CE2 3.6Å; Y77-Y137 HydrophobicContact CE2-CE2 3.6Å; Y77-Y137 AromaticContact CE2-CG 3.9Å; Y77-Y137 HydrophobicContact CE2-CG 3.9Å; Y77-Y137 AromaticContact CE2-CZ 3.93Å; Y77-Y137 HydrophobicContact CG-CD2 4.26Å; Y77-Y137 AromaticContact CG-CE2 3.74Å; Y77-Y137 HydrophobicContact CG-CE2 3.74Å; Y77-Y137 AromaticContact CZ-CE1 3.78Å; Y77-Y137 AromaticContact CZ-CE2 3.7Å; Y77-Y137 AromaticContact CZ-CZ 3.53Å; M100-Y137 HydrophobicContact SD-CD2 4.37Å; Q108-Y137 PolarHBondContact O-N 3.01Å; Y137-Q139 VanDerWaalsContact C-N 3.33Å; Y137-Q139 PolarHBondContact O-N 3Å; Y137-V140 PolarHBondContact O-N 2.9Å; Y137-M141 HydrophobicContact CD1-CG 4.25Å; Y137-M141 HydrophobicContact CD2-CE 4.43Å; Y137-M141 HydrophobicContact CD2-CG 4.02Å; Y137-M141 HydrophobicContact CE1-CG 3.78Å; Y137-M141 HydrophobicContact CE2-CE 3.94Å; Y137-M141 HydrophobicContact CE2-CG 3.52Å; Y137-M141 HydrophobicContact CE2-SD 3.82Å; Y137-M141 HydrophobicContact CG-CG 4.36Å; Y137-M141 WeakPolarHBondContact O-CG 3.43Å; Y137-M141 PolarHBondContact O-N 3.31Å; Y137-L157 WeakPolarHBondContact CE2-O 3.22Å; Y137-L157 PolarHBondContact OH-O 2.7Å |
| 138 | A | 97.3 | Very high | 97 | Very high | 38 Ų | 38 | 70.7 Ų | 70.7 | 31% | 0.314 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62 | -36.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S136 R142 | S136-A138 PolarHBondContact O-N 2.87Å; A138-R142 WeakPolarHBondContact O-CD 3.49Å; A138-R142 VanDerWaalsContact O-CG 3.23Å; A138-R142 WeakPolarHBondContact O-CG 3.24Å; A138-R142 PolarHBondContact O-N 2.89Å |
| 139 | Q | 98 | Very high | 96.9 | Very high | 109 Ų | 109 | 72.8 Ų | 72.8 | 51% | 0.509 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -69.9 | -42.7 | 174.3 | -75.4 | 164 | -47.6 | 0 | 0 | 111.6 | S136 Y137 M141 R142 T143 | S136-Q139 WeakPolarHBondContact O-CB 3.19Å; S136-Q139 PolarHBondContact O-N 2.89Å; S136-Q139 VanDerWaalsContact OG-CD 3.27Å; S136-Q139 VanDerWaalsContact OG-CG 3.24Å; S136-Q139 WeakPolarHBondContact OG-CG 3.47Å; S136-Q139 PolarHBondContact OG-N 2.78Å; S136-Q139 PolarHBondContact OG-OE1 3.1Å; Y137-Q139 VanDerWaalsContact C-N 3.33Å; Y137-Q139 PolarHBondContact O-N 3Å; Q139-M141 PolarHBondContact O-N 2.81Å; Q139-R142 PolarHBondContact O-N 2.92Å; Q139-T143 PolarHBondContact O-N 2.95Å; Q139-T143 PolarHBondContact O-OG1 3.33Å |
| 140 | V | 97.9 | Very high | 96.8 | Very high | 9 Ų | 9 | 67.9 Ų | 67.9 | 6% | 0.055 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.1 | -48.7 | 176.5 | 178.8 | 0 | 0 | 0 | 0 | 110.2 | M100 V110 S136 Y137 R142 T143 V154 V155 | M100-V140 HydrophobicContact CE-CB 4.4Å; M100-V140 HydrophobicContact CE-CG1 3.79Å; M100-V140 HydrophobicContact CE-CG2 4.12Å; M100-V140 HydrophobicContact SD-CG2 4.38Å; V110-V140 HydrophobicContact CG2-CG2 4.23Å; S136-V140 WeakPolarHBondContact O-CG2 3.48Å; S136-V140 PolarHBondContact O-N 2.82Å; Y137-V140 PolarHBondContact O-N 2.9Å; V140-R142 PolarHBondContact O-N 3.39Å; V140-T143 VanDerWaalsContact O-CB 3.3Å; V140-T143 WeakPolarHBondContact O-CB 3.3Å; V140-T143 PolarHBondContact O-N 2.67Å; V140-V154 HydrophobicContact CG1-CG1 4.29Å; V140-V154 WeakPolarHBondContact CG1-O 3.1Å; V140-V155 HydrophobicContact CG1-CG1 4.02Å |
| 141 | M | 97 | Very high | 96.8 | Very high | 46 Ų | 46 | 68.4 Ų | 68.4 | 23% | 0.227 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67 | -15.7 | -179.7 | -67.7 | -59.7 | 102.5 | 0 | 0 | 114.5 | Y137 Q139 V154 L157 | Y137-M141 HydrophobicContact CD1-CG 4.25Å; Y137-M141 HydrophobicContact CD2-CE 4.43Å; Y137-M141 HydrophobicContact CD2-CG 4.02Å; Y137-M141 HydrophobicContact CE1-CG 3.78Å; Y137-M141 HydrophobicContact CE2-CE 3.94Å; Y137-M141 HydrophobicContact CE2-CG 3.52Å; Y137-M141 HydrophobicContact CE2-SD 3.82Å; Y137-M141 HydrophobicContact CG-CG 4.36Å; Y137-M141 WeakPolarHBondContact O-CG 3.43Å; Y137-M141 PolarHBondContact O-N 3.31Å; Q139-M141 PolarHBondContact O-N 2.81Å; M141-V154 WeakPolarHBondContact CE-O 3.45Å; M141-L157 HydrophobicContact CE-CB 4.25Å |
| 142 | R | 96.8 | Very high | 96.8 | Very high | 215 Ų | 215 | 68.6 Ų | 68.6 | 81% | 0.811 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -7.3 | 174 | -72.9 | 172.9 | -177.8 | -175.9 | 1.4 | 113 | A138 Q139 V140 | A138-R142 WeakPolarHBondContact O-CD 3.49Å; A138-R142 VanDerWaalsContact O-CG 3.23Å; A138-R142 WeakPolarHBondContact O-CG 3.24Å; A138-R142 PolarHBondContact O-N 2.89Å; Q139-R142 PolarHBondContact O-N 2.92Å; V140-R142 PolarHBondContact O-N 3.39Å |
| 143 | T | 97.4 | Very high | 96.8 | Very high | 81 Ų | 81 | 64.6 Ų | 64.6 | 50% | 0.497 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -80.1 | 133.3 | 179.5 | -59.9 | 0 | 0 | 0 | 0 | 109.8 | Q139 V140 V155 | Q139-T143 PolarHBondContact O-N 2.95Å; Q139-T143 PolarHBondContact O-OG1 3.33Å; V140-T143 VanDerWaalsContact O-CB 3.3Å; V140-T143 WeakPolarHBondContact O-CB 3.3Å; V140-T143 PolarHBondContact O-N 2.67Å; T143-V155 HydrophobicContact CG2-CG1 4.12Å |
| 144 | V | 97.4 | Very high | 96.8 | Very high | 136 Ų | 136 | 59.8 Ų | 59.8 | 82% | 0.824 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -77.3 | 126 | 176.2 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | ||
| 145 | G | 95.3 | Very high | 96.8 | Very high | 32 Ų | 32 | 59 Ų | 59 | 33% | 0.33 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 148.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 146 | I | 97.3 | Very high | 96.7 | Very high | 128 Ų | 128 | 62.3 Ų | 62.3 | 66% | 0.656 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -87.6 | 124.7 | 169.5 | -57.8 | 174.7 | 0 | 0 | 0 | 107.6 | T149 E152 | I146-T149 HydrophobicContact CB-CG2 4.03Å; I146-T149 HydrophobicContact CG2-CG2 3.76Å; I146-T149 WeakPolarHBondContact O-CB 3.17Å; I146-T149 WeakPolarHBondContact O-CG2 3.42Å; I146-T149 PolarHBondContact O-N 3.45Å; I146-T149 PolarHBondContact O-OG1 2.98Å; I146-E152 WeakPolarHBondContact O-CB 3.5Å; I146-E152 WeakPolarHBondContact O-CG 3.41Å |
| 147 | H | 94.7 | Very high | 96.6 | Very high | 152 Ų | 152 | 61.9 Ų | 61.9 | 70% | 0.704 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -119.1 | 136.7 | -174.9 | -174.6 | 73.1 | 0 | 0 | 0 | 112.3 | E152 | H147-E152 WeakPolarHBondContact CA-OE1 3.49Å; H147-E152 IonicContact CE1-OE1 3.76Å; H147-E152 IonicContact CG-OE1 3.57Å; H147-E152 IonicContact ND1-OE1 2.76Å; H147-E152 PolarHBondContact ND1-OE1 3.02Å; H147-E152 IonicContact ND1-OE2 3.5Å; H147-E152 PolarHBondContact ND1-OE2 3.14Å |
| 148 | P | 93.9 | Very high | 96.4 | Very high | 64 Ų | 64 | 69.9 Ų | 69.9 | 42% | 0.416 | 36% | 0.357 | S | S | . | . | S | Bend | cis | -85 | 126.8 | -7.7 | 32.4 | -31.2 | 0 | 0 | 0 | 111.7 | L84 E152 | L84-P148 HydrophobicContact CB-CB 4.48Å; L84-P148 HydrophobicContact CD2-CB 3.7Å; L84-P148 HydrophobicContact CD2-CG 3.54Å; P148-E152 WeakPolarHBondContact CA-OE1 3.44Å |
| 149 | T | 95.9 | Very high | 96.4 | Very high | 50 Ų | 50 | 70.5 Ų | 70.5 | 31% | 0.307 | 35% | 0.354 | S | S | . | . | trans | -140.1 | 160.7 | 170.3 | 68.1 | 0 | 0 | 0 | 0 | 112.1 | I146 S151 E152 | I146-T149 HydrophobicContact CB-CG2 4.03Å; I146-T149 HydrophobicContact CG2-CG2 3.76Å; I146-T149 WeakPolarHBondContact O-CB 3.17Å; I146-T149 WeakPolarHBondContact O-CG2 3.42Å; I146-T149 PolarHBondContact O-N 3.45Å; I146-T149 PolarHBondContact O-OG1 2.98Å; T149-S151 VanDerWaalsContact C-N 3.3Å; T149-E152 PolarHBondContact N-OE1 3.4Å; T149-E152 WeakPolarHBondContact O-CG 3.45Å; T149-E152 PolarHBondContact OG1-N 3.3Å; T149-E152 VanDerWaalsContact OG1-N 3.13Å | ||
| 150 | C | 95.8 | Very high | 96.3 | Very high | 13 Ų | 13 | 65.9 Ų | 65.9 | 9% | 0.088 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -73.9 | -27.2 | 168.3 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | Y81 F115 E153 | Y81-C150 HydrophobicContact CE2-CB 3.85Å; F115-C150 HydrophobicContact CZ-CB 3.9Å; C150-E153 WeakPolarHBondContact O-CB 3.42Å; C150-E153 WeakPolarHBondContact O-CG 3.46Å; C150-E153 PolarHBondContact O-N 3.35Å |
| 151 | S | 97.1 | Very high | 96.3 | Very high | 38 Ų | 38 | 69.1 Ų | 69.1 | 27% | 0.266 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -70.4 | -31 | -176.7 | -165.2 | 0 | 0 | 0 | 0 | 113.1 | T149 E153 V154 | T149-S151 VanDerWaalsContact C-N 3.3Å; S151-E153 PolarHBondContact O-N 3.28Å; S151-E153 VanDerWaalsContact O-N 3.09Å; S151-V154 PolarHBondContact O-N 3.02Å; S151-V154 VanDerWaalsContact O-N 3.14Å |
| 152 | E | 96.9 | Very high | 96.3 | Very high | 20 Ų | 20 | 72.2 Ų | 72.2 | 9% | 0.093 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -60.8 | -18.7 | 176.9 | 55 | 164.8 | 136.3 | 0 | 0 | 113.4 | I146 H147 P148 T149 V154 V155 K156 | I146-E152 WeakPolarHBondContact O-CB 3.5Å; I146-E152 WeakPolarHBondContact O-CG 3.41Å; H147-E152 WeakPolarHBondContact CA-OE1 3.49Å; H147-E152 IonicContact CE1-OE1 3.76Å; H147-E152 IonicContact CG-OE1 3.57Å; H147-E152 IonicContact ND1-OE1 2.76Å; H147-E152 PolarHBondContact ND1-OE1 3.02Å; H147-E152 IonicContact ND1-OE2 3.5Å; H147-E152 PolarHBondContact ND1-OE2 3.14Å; P148-E152 WeakPolarHBondContact CA-OE1 3.44Å; T149-E152 PolarHBondContact N-OE1 3.4Å; T149-E152 WeakPolarHBondContact O-CG 3.45Å; T149-E152 PolarHBondContact OG1-N 3.3Å; T149-E152 VanDerWaalsContact OG1-N 3.13Å; E152-V154 PolarHBondContact O-N 3.17Å; E152-V155 HydrophobicContact CB-CG2 4.47Å; E152-V155 WeakPolarHBondContact O-CG2 3.42Å; E152-V155 PolarHBondContact O-N 3.2Å; E152-V155 VanDerWaalsContact O-N 3.14Å; E152-K156 VanDerWaalsContact CD-NZ 3.31Å; E152-K156 WeakPolarHBondContact O-CE 3.04Å; E152-K156 WeakPolarHBondContact O-CG 2.95Å; E152-K156 PolarHBondContact O-N 3.48Å; E152-K156 WeakPolarHBondContact OE2-CE 3.2Å; E152-K156 IonicContact OE2-NZ 3.23Å; E152-K156 PolarHBondContact OE2-NZ 3.3Å |
| 153 | E | 95.8 | Very high | 96.3 | Very high | 30 Ų | 30 | 64.8 Ų | 64.8 | 14% | 0.14 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -61.3 | -31.9 | 176.1 | -60.6 | -56.7 | 145.9 | 0 | 0 | 112.3 | Y81 V98 C150 S151 V155 K156 L157 | Y81-E153 HydrophobicContact CD1-CG 4.42Å; Y81-E153 HydrophobicContact CD2-CG 3.79Å; Y81-E153 HydrophobicContact CG-CB 4.38Å; Y81-E153 HydrophobicContact CG-CG 3.71Å; V98-E153 HydrophobicContact CG1-CB 4.17Å; C150-E153 WeakPolarHBondContact O-CB 3.42Å; C150-E153 WeakPolarHBondContact O-CG 3.46Å; C150-E153 PolarHBondContact O-N 3.35Å; S151-E153 PolarHBondContact O-N 3.28Å; S151-E153 VanDerWaalsContact O-N 3.09Å; E153-V155 PolarHBondContact O-N 3.32Å; E153-K156 VanDerWaalsContact CD-NZ 3.33Å; E153-K156 PolarHBondContact O-N 3.01Å; E153-K156 VanDerWaalsContact OE1-CE 3.28Å; E153-K156 WeakPolarHBondContact OE1-CE 3.31Å; E153-K156 IonicContact OE1-NZ 2.77Å; E153-K156 PolarHBondContact OE1-NZ 3.27Å; E153-K156 WeakPolarHBondContact OE2-CE 3.36Å; E153-K156 IonicContact OE2-NZ 2.68Å; E153-L157 WeakPolarHBondContact O-CG 3.42Å; E153-L157 PolarHBondContact O-N 2.61Å |
| 154 | V | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -62.2 | -32.5 | 177.4 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | V98 M100 L113 F115 V123 F127 V140 M141 S151 E152 K156 | V98-V154 HydrophobicContact CG2-CG2 4.1Å; M100-V154 HydrophobicContact CE-CG1 3.44Å; M100-V154 VanDerWaalsContact CE-CG1 3.44Å; L113-V154 HydrophobicContact CD1-CG1 3.9Å; L113-V154 HydrophobicContact CD1-CG2 4.25Å; L113-V154 HydrophobicContact CD2-CG1 4.31Å; L113-V154 HydrophobicContact CD2-CG2 4.42Å; F115-V154 HydrophobicContact CD2-CG2 4.29Å; F115-V154 HydrophobicContact CE2-CG2 4.45Å; V123-V154 HydrophobicContact CG1-CG2 4.36Å; F127-V154 HydrophobicContact CD1-CG1 4.02Å; F127-V154 HydrophobicContact CD2-CG1 4.34Å; F127-V154 HydrophobicContact CD2-CG2 4.26Å; F127-V154 HydrophobicContact CE1-CB 4.08Å; F127-V154 HydrophobicContact CE1-CG1 3.49Å; F127-V154 VanDerWaalsContact CE1-CG1 3.49Å; F127-V154 HydrophobicContact CE2-CB 3.76Å; F127-V154 HydrophobicContact CE2-CG1 3.86Å; F127-V154 HydrophobicContact CE2-CG2 3.62Å; F127-V154 HydrophobicContact CG-CG1 4.43Å; F127-V154 HydrophobicContact CZ-CB 3.47Å; F127-V154 VanDerWaalsContact CZ-CB 3.47Å; F127-V154 HydrophobicContact CZ-CG1 3.42Å; F127-V154 VanDerWaalsContact CZ-CG1 3.42Å; F127-V154 HydrophobicContact CZ-CG2 3.91Å; V140-V154 HydrophobicContact CG1-CG1 4.29Å; V140-V154 WeakPolarHBondContact CG1-O 3.1Å; M141-V154 WeakPolarHBondContact CE-O 3.45Å; S151-V154 PolarHBondContact O-N 3.02Å; S151-V154 VanDerWaalsContact O-N 3.14Å; E152-V154 PolarHBondContact O-N 3.17Å; V154-K156 VanDerWaalsContact C-N 3.33Å |
| 155 | V | 97.2 | Very high | 96 | Very high | 19 Ų | 19 | 63 Ų | 63 | 12% | 0.115 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -89.9 | 2.9 | 178.3 | -55.5 | 0 | 0 | 0 | 0 | 113.4 | V140 T143 E152 E153 | V140-V155 HydrophobicContact CG1-CG1 4.02Å; T143-V155 HydrophobicContact CG2-CG1 4.12Å; E152-V155 HydrophobicContact CB-CG2 4.47Å; E152-V155 WeakPolarHBondContact O-CG2 3.42Å; E152-V155 PolarHBondContact O-N 3.2Å; E152-V155 VanDerWaalsContact O-N 3.14Å; E153-V155 PolarHBondContact O-N 3.32Å |
| 156 | K | 94.9 | Very high | 95.9 | Very high | 87 Ų | 87 | 66.7 Ų | 66.7 | 38% | 0.378 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -112.2 | 2 | 177.6 | -66.4 | -179 | -61.9 | -171.1 | 0 | 113.6 | E152 E153 V154 R158 | E152-K156 VanDerWaalsContact CD-NZ 3.31Å; E152-K156 WeakPolarHBondContact O-CE 3.04Å; E152-K156 WeakPolarHBondContact O-CG 2.95Å; E152-K156 PolarHBondContact O-N 3.48Å; E152-K156 WeakPolarHBondContact OE2-CE 3.2Å; E152-K156 IonicContact OE2-NZ 3.23Å; E152-K156 PolarHBondContact OE2-NZ 3.3Å; E153-K156 VanDerWaalsContact CD-NZ 3.33Å; E153-K156 PolarHBondContact O-N 3.01Å; E153-K156 VanDerWaalsContact OE1-CE 3.28Å; E153-K156 WeakPolarHBondContact OE1-CE 3.31Å; E153-K156 IonicContact OE1-NZ 2.77Å; E153-K156 PolarHBondContact OE1-NZ 3.27Å; E153-K156 WeakPolarHBondContact OE2-CE 3.36Å; E153-K156 IonicContact OE2-NZ 2.68Å; V154-K156 VanDerWaalsContact C-N 3.33Å; K156-R158 PolarHBondContact O-N 3.1Å |
| 157 | L | 95.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | trans | -66.5 | 96.1 | -179.1 | -69.2 | 179.6 | 0 | 0 | 0 | 113.2 | A79 V98 M100 Y137 M141 E153 | A79-L157 HydrophobicContact CB-CD2 3.78Å; V98-L157 HydrophobicContact CG1-CD2 3.71Å; V98-L157 HydrophobicContact CG2-CD1 4.02Å; V98-L157 HydrophobicContact CG2-CD2 4.39Å; M100-L157 HydrophobicContact CB-CD1 3.62Å; M100-L157 HydrophobicContact CE-CD1 4.3Å; Y137-L157 WeakPolarHBondContact CE2-O 3.22Å; Y137-L157 PolarHBondContact OH-O 2.7Å; M141-L157 HydrophobicContact CE-CB 4.25Å; E153-L157 WeakPolarHBondContact O-CG 3.42Å; E153-L157 PolarHBondContact O-N 2.61Å | ||
| 158 | R | 94.8 | Very high | 95.3 | Very high | 200 Ų | 200 | 57.8 Ų | 57.8 | 76% | 0.755 | 31% | 0.311 | S | S | * | . | trans | -112.2 | -21.9 | 178.5 | -66.6 | -173.8 | 179.3 | 147 | 2.6 | 115.1 | K156 | K156-R158 PolarHBondContact O-N 3.1Š| ||
| 159 | I | 96.7 | Very high | 94.2 | Very high | 50 Ų | 50 | 58.3 Ų | 58.3 | 26% | 0.256 | 31% | 0.313 | S | S | . | . | trans | -83.2 | 125.5 | -178.4 | -63 | 178.8 | 0 | 0 | 0 | 108 | Y77 H78 L165 D166 | Y77-I159 CarbonylContact C-O 3.2Å; Y77-I159 VanDerWaalsContact CA-O 3.25Å; Y77-I159 WeakPolarHBondContact CA-O 3.47Å; H78-I159 PolarHBondContact CD2-O 3.23Å; H78-I159 PolarHBondContact N-O 3.44Å; I159-L165 HydrophobicContact CG2-CB 3.94Å; I159-D166 WeakPolarHBondContact CD1-O 3.5Å | ||
| 160 | S | 97.4 | Very high | 92.1 | Very high | 13 Ų | 13 | 61.5 Ų | 61.5 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -105.3 | 145.5 | 174.7 | 95.1 | 0 | 0 | 0 | 0 | 111.6 | E75 V76 R162 S163 | E75-S160 VanDerWaalsContact OE1-CB 3.22Å; E75-S160 WeakPolarHBondContact OE1-CB 3.38Å; E75-S160 PolarHBondContact OE1-OG 2.94Å; V76-S160 CarbonylContact O-C 3.57Å; V76-S160 WeakPolarHBondContact O-CA 3.29Å; S160-R162 PolarHBondContact O-N 3.27Å; S160-R162 PolarHBondContact OG-N 2.93Å; S160-S163 WeakPolarHBondContact O-CB 3.49Å; S160-S163 PolarHBondContact O-N 3.29Å; S160-S163 PolarHBondContact O-OG 3.37Å; S160-S163 PolarHBondContact OG-N 2.81Å |
| 161 | K | 97.4 | Very high | 89.8 | Confident | 76 Ų | 76 | 64.1 Ų | 64.1 | 33% | 0.33 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -56 | -36.6 | 176.2 | -76.7 | -171.7 | 170 | -175.4 | 0 | 112.6 | E62 V76 S163 G164 | E62-K161 IonicContact OE1-NZ 2.7Å; E62-K161 PolarHBondContact OE1-NZ 3.36Å; E62-K161 IonicContact OE2-NZ 3.24Å; E62-K161 PolarHBondContact OE2-NZ 2.91Å; V76-K161 HydrophobicContact CB-CB 4.4Å; V76-K161 HydrophobicContact CB-CD 4.07Å; V76-K161 HydrophobicContact CB-CG 4.23Å; V76-K161 HydrophobicContact CG1-CD 3.93Å; V76-K161 HydrophobicContact CG1-CG 4.23Å; V76-K161 PolarHBondContact O-N 3.29Å; K161-S163 PolarHBondContact O-N 3.05Å; K161-G164 PolarHBondContact O-N 2.97Å |
| 162 | R | 96.4 | Very high | 87.2 | Confident | 111 Ų | 111 | 68.8 Ų | 68.8 | 42% | 0.419 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -63.5 | -29.7 | 177.8 | -171 | -175.5 | -61.6 | -82.1 | -4.1 | 112.5 | Q71 V74 E75 S160 G164 | Q71-R162 PolarHBondContact O-NH2 2.95Å; V74-R162 PolarHBondContact O-NH2 3.23Å; E75-R162 WeakPolarHBondContact OE1-CB 3.36Å; E75-R162 IonicContact OE1-NE 3.16Å; E75-R162 IonicContact OE2-NE 2.88Å; E75-R162 PolarHBondContact OE2-NE 3.09Å; S160-R162 PolarHBondContact O-N 3.27Å; S160-R162 PolarHBondContact OG-N 2.93Å; R162-G164 VanDerWaalsContact C-N 3.25Å; R162-G164 PolarHBondContact O-N 3.35Å |
| 163 | S | 96.4 | Very high | 84.5 | Confident | 59 Ų | 59 | 73.2 Ų | 73.2 | 41% | 0.413 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -70 | -21.8 | 178.5 | 75.7 | 0 | 0 | 0 | 0 | 113.4 | S160 K161 L165 | S160-S163 WeakPolarHBondContact O-CB 3.49Å; S160-S163 PolarHBondContact O-N 3.29Å; S160-S163 PolarHBondContact O-OG 3.37Å; S160-S163 PolarHBondContact OG-N 2.81Å; K161-S163 PolarHBondContact O-N 3.05Å; S163-L165 PolarHBondContact O-N 2.94Å; S163-L165 WeakPolarHBondContact OG-CG 3.37Å; S163-L165 PolarHBondContact OG-N 2.82Å |
| 164 | G | 94.9 | Very high | 81.6 | Confident | 69 Ų | 69 | 74.7 Ų | 74.7 | 71% | 0.711 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 6.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | K161 R162 | K161-G164 PolarHBondContact O-N 2.97Å; R162-G164 VanDerWaalsContact C-N 3.25Å; R162-G164 PolarHBondContact O-N 3.35Å |
| 165 | L | 94.2 | Very high | 78.3 | Confident | 110 Ų | 110 | 82.9 Ų | 82.9 | 58% | 0.576 | 49% | 0.488 | S | S | * | . | trans | -72.3 | 151.5 | 175.8 | -61.6 | 174.4 | 0 | 0 | 0 | 111 | I159 S163 P167 | I159-L165 HydrophobicContact CG2-CB 3.94Å; S163-L165 PolarHBondContact O-N 2.94Å; S163-L165 WeakPolarHBondContact OG-CG 3.37Å; S163-L165 PolarHBondContact OG-N 2.82Å; L165-P167 WeakPolarHBondContact O-CD 3.41Å | ||
| 166 | D | 92.5 | Very high | 75.4 | Confident | 111 Ų | 111 | 87.1 Ų | 87.1 | 59% | 0.594 | 53% | 0.525 | S | S | * | . | trans | -69.7 | 120.9 | 178.4 | -176 | -6.9 | 0 | 0 | 0 | 110.7 | I159 T168 | I159-D166 WeakPolarHBondContact CD1-O 3.5Å; D166-T168 PolarHBondContact O-N 3.4Å; D166-T168 WeakPolarHBondContact OD1-CB 3.11Å; D166-T168 PolarHBondContact OD1-N 3.17Å; D166-T168 PolarHBondContact OD1-OG1 3.16Å | ||
| 167 | P | 92 | Very high | 72.4 | Confident | 21 Ų | 21 | 87.7 Ų | 87.7 | 14% | 0.136 | 55% | 0.546 | C | S | . | . | trans | -74.7 | -1.7 | 178.9 | 32.3 | -37.7 | 0 | 0 | 0 | 114.2 | A79 H80 L165 V169 | A79-P167 WeakPolarHBondContact CA-O 3.25Å; H80-P167 PolarHBondContact N-O 3.27Å; L165-P167 WeakPolarHBondContact O-CD 3.41Å; P167-V169 PolarHBondContact O-N 3.02Å | ||
| 168 | T | 89 | Confident | 69.3 | Low | 71 Ų | 71 | 90.9 Ų | 90.9 | 44% | 0.436 | 58% | 0.579 | S | S | . | * | B | Isolated β-bridge | trans | -72.4 | 118.5 | -178.6 | -49.6 | 0 | 0 | 0 | 0 | 110.8 | D166 T170 | D166-T168 PolarHBondContact O-N 3.4Å; D166-T168 WeakPolarHBondContact OD1-CB 3.11Å; D166-T168 PolarHBondContact OD1-N 3.17Å; D166-T168 PolarHBondContact OD1-OG1 3.16Å; T168-T170 PolarHBondContact O-N 3.38Å |
| 169 | V | 69 | Low | 66.1 | Low | 76 Ų | 76 | 90.3 Ų | 90.3 | 46% | 0.461 | 59% | 0.585 | S | S | . | * | trans | -71.8 | 100.2 | 173.3 | 176.4 | 0 | 0 | 0 | 0 | 108.9 | H80 P167 G171 | H80-V169 WeakPolarHBondContact O-CG2 3.42Å; P167-V169 PolarHBondContact O-N 3.02Å; V169-G171 PolarHBondContact O-N 3.04Å | ||
| 170 | T | 53.7 | Low | 62.9 | Low | 116 Ų | 116 | 94.4 Ų | 94.4 | 71% | 0.712 | 61% | 0.612 | S | S | * | * | trans | -64.6 | 124.8 | 163.2 | 34.1 | 0 | 0 | 0 | 0 | 108.7 | T168 | T168-T170 PolarHBondContact O-N 3.38Š| ||
| 171 | G | 47.1 | Very low | 59.5 | Low | 68 Ų | 68 | 105.6 Ų | 105.6 | 70% | 0.701 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -53.9 | 168.7 | -160.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | V169 C173 | V169-G171 PolarHBondContact O-N 3.04Å; G171-C173 PolarHBondContact O-N 3.46Å |
| 172 | C | 42.3 | Very low | 56.3 | Low | 137 Ų | 137 | 105.4 Ų | 105.4 | 93% | 0.926 | 67% | 0.672 | S | S | * | * | trans | 35.9 | 63.1 | -179.8 | -83.5 | 0 | 0 | 0 | 0 | 114.5 | G174 | C172-G174 PolarHBondContact O-N 3.29Š| ||
| 173 | C | 39.7 | Very low | 53 | Low | 113 Ų | 113 | 104.9 Ų | 104.9 | 76% | 0.764 | 69% | 0.691 | S | S | * | * | trans | -69.3 | 79.8 | 168.5 | -77.6 | 0 | 0 | 0 | 0 | 111.2 | G171 | G171-C173 PolarHBondContact O-N 3.46Š| ||
| 174 | G | 35.2 | Very low | 50.1 | Low | 61 Ų | 61 | 107.7 Ų | 107.7 | 63% | 0.629 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -132.3 | 46.4 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | C172 | C172-G174 PolarHBondContact O-N 3.29Š|
| 175 | M | 28 | Very low | 46.9 | Very low | 171 Ų | 171 | 110.7 Ų | 110.7 | 84% | 0.842 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -178.4 | 134.7 | 159.5 | -102 | 170.5 | -65 | 0 | 0 | 108.7 | A177 | M175-A177 PolarHBondContact O-N 3.14Š|
| 176 | A | 37.5 | Very low | 43.7 | Very low | 109 Ų | 109 | 113.1 Ų | 113.1 | 90% | 0.901 | 73% | 0.729 | S | S | * | * | trans | -55.9 | 123 | 168 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 177 | A | 30.2 | Very low | 41 | Very low | 98 Ų | 98 | 113 Ų | 113 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | trans | -131.5 | 103.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109 | M175 | M175-A177 PolarHBondContact O-N 3.14Š| ||
| 178 | G | 30.6 | Very low | 37.9 | Very low | 68 Ų | 68 | 121.9 Ų | 121.9 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | -64 | 163.6 | 152.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 179 | Q | 27.6 | Very low | 35.5 | Very low | 189 Ų | 189 | 119.8 Ų | 119.8 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | trans | 91 | 94.9 | 174.7 | -55 | -174.7 | -67.5 | 0 | 0 | 116.1 | ||||
| 180 | V | 30.7 | Very low | 34.1 | Very low | 135 Ų | 135 | 118.7 Ų | 118.7 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -57.4 | 128.7 | 163.7 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 181 | W | 25.8 | Very low | 33.3 | Very low | 249 Ų | 249 | 116.9 Ų | 116.9 | 94% | 0.943 | 75% | 0.746 | S | S | * | * | trans | -128.2 | 123.3 | 145.8 | -79.5 | 86.9 | 0 | 0 | 0 | 107.8 | ||||
| 182 | G | 30.5 | Very low | 32.8 | Very low | 72 Ų | 72 | 118.5 Ų | 118.5 | 74% | 0.742 | 74% | 0.735 | S | S | * | * | trans | -75.4 | 153.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 183 | A | 26.9 | Very low | 32.8 | Very low | 99 Ų | 99 | 112.2 Ų | 112.2 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | trans | -153.3 | 118.9 | 147 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 184 | S | 35.8 | Very low | 33.1 | Very low | 118 Ų | 118 | 108.8 Ų | 108.8 | 83% | 0.825 | 67% | 0.667 | S | S | * | * | trans | -68 | 127.6 | 175 | 50.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 185 | T | 26.4 | Very low | 33.4 | Very low | 133 Ų | 133 | 108.9 Ų | 108.9 | 82% | 0.816 | 66% | 0.659 | S | S | * | * | trans | -156.3 | 106.5 | 148.4 | 10.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 186 | L | 26.9 | Very low | 34.5 | Very low | 161 Ų | 161 | 102.7 Ų | 102.7 | 84% | 0.843 | 63% | 0.63 | S | S | * | * | trans | 29.2 | 112.8 | 148.8 | -65.6 | 162 | 0 | 0 | 0 | 119.9 | ||||
| 187 | S | 35.3 | Very low | 34.9 | Very low | 109 Ų | 109 | 97.5 Ų | 97.5 | 76% | 0.762 | 59% | 0.587 | S | S | * | * | trans | -59.8 | 118.3 | 164.5 | 168.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 188 | W | 27.9 | Very low | 35.6 | Very low | 207 Ų | 207 | 100.3 Ų | 100.3 | 78% | 0.784 | 58% | 0.577 | S | S | * | * | trans | -154.1 | 92.1 | 156.1 | -77.4 | 91.8 | 0 | 0 | 0 | 108.6 | ||||
| 189 | S | 38.9 | Very low | 36.4 | Very low | 27 Ų | 27 | 105 Ų | 105 | 19% | 0.189 | 58% | 0.578 | C | S | . | * | S | Bend | trans | -156.3 | -28.7 | 172.7 | 65.2 | 0 | 0 | 0 | 0 | 114.9 | H80 | H80-S189 WeakPolarHBondContact CE1-CB 3.13Å; H80-S189 PolarHBondContact CE1-OG 3.09Å; H80-S189 PolarHBondContact NE2-OG 3.13Å |
| 190 | A | 39.7 | Very low | 37.3 | Very low | 53 Ų | 53 | 98.2 Ų | 98.2 | 44% | 0.438 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -76.3 | -26.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V194 | A190-V194 WeakPolarHBondContact O-CG2 3.3Å; A190-V194 PolarHBondContact O-N 2.74Å |
| 191 | C | 35.6 | Very low | 37.6 | Very low | 78 Ų | 78 | 96.9 Ų | 96.9 | 53% | 0.527 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -75.3 | -33.3 | -173.9 | -153.7 | 0 | 0 | 0 | 0 | 113 | S195 | C191-S195 PolarHBondContact O-N 3.08Å; C191-S195 VanDerWaalsContact O-N 3.14Å; C191-S195 PolarHBondContact O-OG 2.68Å |
| 192 | E | 38.2 | Very low | 38.3 | Very low | 101 Ų | 101 | 90.1 Ų | 90.1 | 47% | 0.472 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -73.3 | -40.5 | 179.4 | -68.3 | -173.7 | 141.3 | 0 | 0 | 111.8 | V194 S195 V196 | E192-V194 PolarHBondContact O-N 3.1Å; E192-S195 WeakPolarHBondContact O-CB 3.47Å; E192-S195 PolarHBondContact O-N 3.36Å; E192-S195 VanDerWaalsContact O-N 3.12Å; E192-V196 WeakPolarHBondContact O-CG2 3.02Å; E192-V196 PolarHBondContact O-N 3.48Å |
| 193 | M | 41.2 | Very low | 38.5 | Very low | 5 Ų | 5 | 90.3 Ų | 90.3 | 3% | 0.025 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 175.1 | -179.4 | 172.1 | -80.9 | 0 | 0 | 111.8 | Y55 Y97 K99 H114 L116 S195 V196 E197 | Y55-M193 HydrophobicContact CD2-CE 4.23Å; Y55-M193 HydrophobicContact CE2-CE 4.02Å; Y55-M193 HydrophobicContact CE2-CG 4.28Å; Y97-M193 HydrophobicContact CD1-CE 3.56Å; Y97-M193 HydrophobicContact CD1-SD 3.8Å; Y97-M193 HydrophobicContact CE1-CE 4.22Å; Y97-M193 HydrophobicContact CE1-SD 3.85Å; K99-M193 HydrophobicContact CD-SD 3.97Å; K99-M193 HydrophobicContact CG-SD 4.18Å; H114-M193 HydrophobicContact CB-SD 4.25Å; L116-M193 HydrophobicContact CB-CE 3.53Å; L116-M193 HydrophobicContact CD2-CE 4.27Å; M193-S195 PolarHBondContact O-N 3.34Å; M193-V196 PolarHBondContact O-N 3.44Å; M193-E197 HydrophobicContact CG-CG 4.4Å; M193-E197 WeakPolarHBondContact O-CB 3.28Å; M193-E197 WeakPolarHBondContact O-CG 3.44Å; M193-E197 PolarHBondContact O-N 2.77Å |
| 194 | V | 46.4 | Very low | 38.7 | Very low | 41 Ų | 41 | 87.8 Ų | 87.8 | 25% | 0.248 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -62.4 | -33.5 | 176.1 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | A190 E192 R198 | A190-V194 WeakPolarHBondContact O-CG2 3.3Å; A190-V194 PolarHBondContact O-N 2.74Å; E192-V194 PolarHBondContact O-N 3.1Å; V194-R198 VanDerWaalsContact CG1-NH2 3.26Å; V194-R198 VanDerWaalsContact O-CG 3.32Å; V194-R198 WeakPolarHBondContact O-CG 3.42Å; V194-R198 PolarHBondContact O-N 2.9Å; V194-R198 VanDerWaalsContact O-N 3.11Å |
| 195 | S | 42 | Very low | 38.5 | Very low | 63 Ų | 63 | 88.2 Ų | 88.2 | 44% | 0.441 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71.7 | -38.2 | 176.2 | -66.2 | 0 | 0 | 0 | 0 | 112.6 | C191 E192 M193 K199 | C191-S195 PolarHBondContact O-N 3.08Å; C191-S195 VanDerWaalsContact O-N 3.14Å; C191-S195 PolarHBondContact O-OG 2.68Å; E192-S195 WeakPolarHBondContact O-CB 3.47Å; E192-S195 PolarHBondContact O-N 3.36Å; E192-S195 VanDerWaalsContact O-N 3.12Å; M193-S195 PolarHBondContact O-N 3.34Å; S195-K199 PolarHBondContact O-N 3.43Å |
| 196 | V | 50.9 | Low | 39.1 | Very low | 41 Ų | 41 | 88.4 Ų | 88.4 | 25% | 0.248 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -70.8 | -41.4 | 174.6 | 178.5 | 0 | 0 | 0 | 0 | 110.9 | V49 Y55 E192 M193 R198 K199 C200 | V49-V196 HydrophobicContact CG2-CG1 4.48Å; Y55-V196 HydrophobicContact CD1-CB 4.38Å; Y55-V196 HydrophobicContact CD1-CG1 3.36Å; Y55-V196 HydrophobicContact CE1-CG1 3.96Å; Y55-V196 HydrophobicContact CG-CG1 3.95Å; E192-V196 WeakPolarHBondContact O-CG2 3.02Å; E192-V196 PolarHBondContact O-N 3.48Å; M193-V196 PolarHBondContact O-N 3.44Å; V196-R198 PolarHBondContact O-N 3.24Å; V196-K199 PolarHBondContact O-N 2.89Å; V196-C200 PolarHBondContact O-N 3.03Å; V196-C200 VanDerWaalsContact O-N 3.11Å |
| 197 | E | 45.2 | Very low | 39.5 | Very low | 0 Ų | 0 | 84.4 Ų | 84.4 | 0% | 0 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -54.1 | -52.4 | 173.8 | -81.7 | 175.1 | 149.9 | 0 | 0 | 111.4 | Y55 K99 H114 M193 K199 C200 W201 | Y55-E197 HydrophobicContact CE1-CG 4.26Å; Y55-E197 WeakPolarHBondContact OH-CG 3.49Å; Y55-E197 PolarHBondContact OH-OE1 3.5Å; K99-E197 WeakPolarHBondContact CE-OE1 3.47Å; K99-E197 IonicContact NZ-OE1 3Å; K99-E197 PolarHBondContact NZ-OE1 2.76Å; K99-E197 IonicContact NZ-OE2 3.81Å; K99-E197 PolarHBondContact NZ-OE2 3.38Å; H114-E197 IonicContact CE1-OE1 3.52Å; H114-E197 PolarHBondContact CE1-OE1 2.7Å; H114-E197 IonicContact CG-OE1 3.52Å; H114-E197 IonicContact ND1-OE1 2.66Å; H114-E197 PolarHBondContact ND1-OE1 2.99Å; H114-E197 IonicContact NE2-OE1 2.77Å; M193-E197 HydrophobicContact CG-CG 4.4Å; M193-E197 WeakPolarHBondContact O-CB 3.28Å; M193-E197 WeakPolarHBondContact O-CG 3.44Å; M193-E197 PolarHBondContact O-N 2.77Å; E197-K199 VanDerWaalsContact C-N 3.27Å; E197-K199 PolarHBondContact O-N 3.4Å; E197-C200 PolarHBondContact O-N 3.08Å; E197-C200 VanDerWaalsContact O-N 3.09Å; E197-W201 PolarHBondContact O-N 2.77Å |
| 198 | R | 45.7 | Very low | 39.7 | Very low | 158 Ų | 158 | 85.5 Ų | 85.5 | 60% | 0.596 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -57.4 | -40.5 | 178.9 | -71.7 | 178.8 | -147.4 | -151.7 | 6.4 | 112.2 | V194 V196 C200 W201 T202 | V194-R198 VanDerWaalsContact CG1-NH2 3.26Å; V194-R198 VanDerWaalsContact O-CG 3.32Å; V194-R198 WeakPolarHBondContact O-CG 3.42Å; V194-R198 PolarHBondContact O-N 2.9Å; V194-R198 VanDerWaalsContact O-N 3.11Å; V196-R198 PolarHBondContact O-N 3.24Å; R198-C200 PolarHBondContact O-N 3.24Å; R198-W201 PolarHBondContact O-N 3.21Å; R198-T202 WeakPolarHBondContact O-CB 3.35Å; R198-T202 WeakPolarHBondContact O-CG2 3.35Å; R198-T202 PolarHBondContact O-N 3.31Å; R198-T202 PolarHBondContact O-OG1 3.33Å |
| 199 | K | 46.2 | Very low | 40 | Very low | 167 Ų | 167 | 83.9 Ų | 83.9 | 73% | 0.726 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.5 | -36.1 | 178 | -75.4 | -179.5 | 179.7 | 178.6 | 0 | 113.1 | S195 V196 E197 W201 | S195-K199 PolarHBondContact O-N 3.43Å; V196-K199 PolarHBondContact O-N 2.89Å; E197-K199 VanDerWaalsContact C-N 3.27Å; E197-K199 PolarHBondContact O-N 3.4Å; K199-W201 VanDerWaalsContact C-N 3.35Å |
| 200 | C | 45.9 | Very low | 39.7 | Very low | 46 Ų | 46 | 86.2 Ų | 86.2 | 31% | 0.311 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.4 | -32.7 | 176 | -69.2 | 0 | 0 | 0 | 0 | 113.4 | V49 V196 E197 R198 | V49-C200 WeakPolarHBondContact CG2-SG 3.34Å; V196-C200 PolarHBondContact O-N 3.03Å; V196-C200 VanDerWaalsContact O-N 3.11Å; E197-C200 PolarHBondContact O-N 3.08Å; E197-C200 VanDerWaalsContact O-N 3.09Å; R198-C200 PolarHBondContact O-N 3.24Å |
| 201 | W | 38.8 | Very low | 39.4 | Very low | 107 Ų | 107 | 95.9 Ų | 95.9 | 41% | 0.405 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -100.9 | -19.4 | -170.9 | -68.3 | 102.8 | 0 | 0 | 0 | 114.8 | G59 E197 R198 K199 | G59-W201 WeakPolarHBondContact O-CZ2 3.31Å; E197-W201 PolarHBondContact O-N 2.77Å; R198-W201 PolarHBondContact O-N 3.21Å; K199-W201 VanDerWaalsContact C-N 3.35Å |
| 202 | T | 39.8 | Very low | 39.3 | Very low | 107 Ų | 107 | 103.9 Ų | 103.9 | 66% | 0.656 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -97.7 | 3.5 | -175.7 | 65.2 | 0 | 0 | 0 | 0 | 115.5 | R198 G204 | R198-T202 WeakPolarHBondContact O-CB 3.35Å; R198-T202 WeakPolarHBondContact O-CG2 3.35Å; R198-T202 PolarHBondContact O-N 3.31Å; R198-T202 PolarHBondContact O-OG1 3.33Å; T202-G204 PolarHBondContact O-N 3.37Å; T202-G204 VanDerWaalsContact O-N 3.08Å |
| 203 | G | 34.1 | Very low | 39.3 | Very low | 75 Ų | 75 | 104.1 Ų | 104.1 | 77% | 0.773 | 60% | 0.6 | S | S | * | * | trans | 57.8 | 26.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 204 | G | 32.7 | Very low | 39.2 | Very low | 46 Ų | 46 | 109.3 Ų | 109.3 | 47% | 0.474 | 63% | 0.631 | S | S | . | * | trans | -77.6 | 147.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T202 C206 | T202-G204 PolarHBondContact O-N 3.37Å; T202-G204 VanDerWaalsContact O-N 3.08Å; G204-C206 PolarHBondContact O-N 3.3Å | ||
| 205 | P | 31.6 | Very low | 38.8 | Very low | 127 Ų | 127 | 113.1 Ų | 113.1 | 83% | 0.825 | 65% | 0.652 | S | S | * | * | trans | -62.8 | 131.9 | -179.6 | 23.7 | -31.7 | 0 | 0 | 0 | 111.9 | A207 | P205-A207 PolarHBondContact O-N 3.09Š| ||
| 206 | C | 38.2 | Very low | 38.7 | Very low | 138 Ų | 138 | 116 Ų | 116 | 93% | 0.932 | 66% | 0.664 | S | S | * | * | trans | -66.5 | 90.9 | 165.4 | -91 | 0 | 0 | 0 | 0 | 109.5 | G204 | G204-C206 PolarHBondContact O-N 3.3Š| ||
| 207 | A | 34.1 | Very low | 37.9 | Very low | 76 Ų | 76 | 120.7 Ų | 120.7 | 63% | 0.628 | 69% | 0.69 | S | S | * | * | trans | -88.2 | 131 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | P205 Q209 | P205-A207 PolarHBondContact O-N 3.09Å; A207-Q209 PolarHBondContact O-N 3.41Å | ||
| 208 | P | 40.7 | Very low | 37.4 | Very low | 133 Ų | 133 | 128.7 Ų | 128.7 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | trans | -77 | 108.4 | 168.2 | 31.5 | -26.8 | 0 | 0 | 0 | 106.8 | ||||
| 209 | Q | 34.9 | Very low | 36.8 | Very low | 172 Ų | 172 | 126.6 Ų | 126.6 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | -106 | 127.4 | 162.6 | -77.7 | -173.7 | -17.9 | 0 | 0 | 108.3 | A207 | A207-Q209 PolarHBondContact O-N 3.41Š| ||
| 210 | G | 32.7 | Very low | 36.1 | Very low | 77 Ų | 77 | 123.5 Ų | 123.5 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | -66.7 | 144.9 | -156.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 211 | W | 32.1 | Very low | 35.3 | Very low | 255 Ų | 255 | 130 Ų | 130 | 97% | 0.966 | 79% | 0.785 | S | S | * | * | trans | -111.1 | 93.1 | 157.4 | -66.2 | 89 | 0 | 0 | 0 | 106.1 | ||||
| 212 | L | 33.6 | Very low | 34.9 | Very low | 247 Ų | 247 | 132.1 Ų | 132.1 | 100% | 1.293 | 82% | 0.819 | S | S | * | * | trans | -90.2 | 0 | 148.3 | -88 | 168.5 | 0 | 0 | 0 | 107 |
Retrieved 212 of 212 residues in 1045.3 ms
(Link to these results)