| 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 | 28.5 | Very low | 30.6 | Very low | 247 Ų | 247 | 136.9 Ų | 136.9 | 100% | 1.217 | 80% | 0.802 | S | S | * | * | 0 | 112 | 0 | -71.6 | -58.4 | -167.1 | 0 | 0 | 107.9 | |||||
| 2 | A | 26.3 | Very low | 32.5 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | trans | -150 | 114.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 3 | S | 31.9 | Very low | 34.9 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | -103.1 | 99.7 | -169.6 | 51.4 | 0 | 0 | 0 | 0 | 111.6 | A5 | S3-A5 PolarHBondContact O-N 2.67Š| ||
| 4 | E | 29.3 | Very low | 38.7 | Very low | 171 Ų | 171 | 125.6 Ų | 125.6 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | trans | 24.9 | 90.1 | 148.1 | -59.8 | -176.1 | 126.8 | 0 | 0 | 118.1 | L6 | E4-L6 PolarHBondContact O-N 2.67Š| ||
| 5 | A | 29.2 | Very low | 42.5 | Very low | 105 Ų | 105 | 119 Ų | 119 | 87% | 0.868 | 69% | 0.691 | S | S | * | * | trans | -80.6 | 97.5 | 148.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | S3 | S3-A5 PolarHBondContact O-N 2.67Š| ||
| 6 | L | 29.5 | Very low | 45.9 | Very low | 152 Ų | 152 | 113.9 Ų | 113.9 | 80% | 0.796 | 66% | 0.659 | S | S | * | * | trans | -66.5 | 133.1 | 176.9 | -83.5 | 168 | 0 | 0 | 0 | 111.2 | E4 | E4-L6 PolarHBondContact O-N 2.67Š| ||
| 7 | S | 26 | Very low | 48.9 | Very low | 97 Ų | 97 | 110.4 Ų | 110.4 | 68% | 0.678 | 64% | 0.64 | S | S | * | * | trans | -79.1 | 129 | -174.2 | 47.2 | 0 | 0 | 0 | 0 | 112.6 | N9 | S7-N9 PolarHBondContact O-N 3.35Š| ||
| 8 | Q | 30 | Very low | 51.7 | Low | 168 Ų | 168 | 105.2 Ų | 105.2 | 79% | 0.785 | 61% | 0.608 | S | S | * | * | trans | -74.4 | 71.8 | 173.4 | -73.5 | -176 | -21 | 0 | 0 | 112.1 | H10 | Q8-H10 PolarHBondContact O-N 3.16Å; Q8-H10 VanDerWaalsContact O-N 3.09Å | ||
| 9 | N | 27.2 | Very low | 54.1 | Low | 151 Ų | 151 | 108.3 Ų | 108.3 | 81% | 0.807 | 61% | 0.61 | S | S | * | * | trans | -70.7 | 94.3 | 158.9 | -88.6 | -21.5 | 0 | 0 | 0 | 108.8 | S7 G11 | S7-N9 PolarHBondContact O-N 3.35Å; N9-G11 PolarHBondContact O-N 3.26Å | ||
| 10 | H | 37 | Very low | 56.2 | Low | 139 Ų | 139 | 103.3 Ų | 103.3 | 64% | 0.644 | 58% | 0.582 | S | S | * | * | trans | -73.2 | 63.2 | 172.3 | -85.7 | -60.1 | 0 | 0 | 0 | 112.5 | Q8 | Q8-H10 PolarHBondContact O-N 3.16Å; Q8-H10 VanDerWaalsContact O-N 3.09Å | ||
| 11 | G | 41.2 | Very low | 58.1 | Low | 52 Ų | 52 | 101.9 Ų | 101.9 | 54% | 0.536 | 58% | 0.576 | S | S | . | * | trans | -62.7 | 160.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N9 K13 | N9-G11 PolarHBondContact O-N 3.26Å; G11-K13 PolarHBondContact O-N 3.32Å | ||
| 12 | S | 53.3 | Low | 61.2 | Low | 73 Ų | 73 | 91.4 Ų | 91.4 | 51% | 0.51 | 53% | 0.529 | S | S | . | . | trans | -61.1 | 130 | 171.2 | 45.8 | 0 | 0 | 0 | 0 | 110.4 | G14 | S12-G14 PolarHBondContact O-N 3.43Š| ||
| 13 | K | 64.6 | Low | 64.4 | Low | 162 Ų | 162 | 92.7 Ų | 92.7 | 70% | 0.704 | 52% | 0.517 | S | S | * | . | trans | -75.7 | 16.2 | -178.2 | -69.1 | -175.7 | 176.8 | 175.4 | 0 | 114.5 | G11 M16 | G11-K13 PolarHBondContact O-N 3.32Å; K13-M16 HydrophobicContact CD-SD 4.46Å | ||
| 14 | G | 87.7 | Confident | 67.4 | Low | 18 Ų | 18 | 90.1 Ų | 90.1 | 19% | 0.186 | 49% | 0.492 | C | S | . | . | trans | 64 | -169.9 | -167.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S12 A43 | S12-G14 PolarHBondContact O-N 3.43Å; G14-A43 VanDerWaalsContact O-CB 3.3Å; G14-A43 WeakPolarHBondContact O-CB 3.16Å | ||
| 15 | I | 95.5 | Very high | 70.5 | Confident | 26 Ų | 26 | 82.2 Ų | 82.2 | 13% | 0.133 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -67.1 | 131.3 | 168.1 | -69.4 | 163.9 | 0 | 0 | 0 | 108.7 | A43 L45 E259 I261 | I15-A43 HydrophobicContact CG1-CB 4.43Å; I15-L45 HydrophobicContact CD1-CB 4.43Å; I15-L45 HydrophobicContact CD1-CD2 4.02Å; I15-L45 HydrophobicContact CG1-CB 4.34Å; I15-E259 HydrophobicContact CD1-CB 3.46Å; I15-E259 VanDerWaalsContact CD1-CB 3.46Å; I15-E259 HydrophobicContact CG1-CB 3.63Å; I15-E259 HydrophobicContact CG1-CG 4.29Å; I15-I261 HydrophobicContact CD1-CB 4.01Å; I15-I261 HydrophobicContact CD1-CG2 3.81Å; I15-I261 HydrophobicContact CG2-CB 4.37Å; I15-I261 HydrophobicContact CG2-CD1 3.6Å; I15-I261 HydrophobicContact CG2-CG2 4.25Å |
| 16 | M | 96.8 | Very high | 73.6 | Confident | 38 Ų | 38 | 82.7 Ų | 82.7 | 19% | 0.187 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 138.6 | -179.4 | -63.4 | -175.5 | 67.4 | 0 | 0 | 111.4 | K13 F18 K38 A40 A46 K47 | K13-M16 HydrophobicContact CD-SD 4.46Å; M16-F18 HydrophobicContact CB-CD2 4.39Å; M16-F18 HydrophobicContact CB-CE2 3.55Å; M16-F18 HydrophobicContact CB-CZ 3.88Å; M16-F18 HydrophobicContact CE-CE1 4.16Å; M16-F18 HydrophobicContact CE-CZ 3.7Å; M16-F18 HydrophobicContact SD-CZ 4.19Å; M16-K38 HydrophobicContact CE-CB 4.05Å; M16-A40 HydrophobicContact SD-CB 4.32Å; M16-A46 WeakPolarHBondContact O-CA 3.38Å; M16-K47 PolarHBondContact O-N 2.68Å |
| 17 | T | 97.9 | Very high | 76.6 | Confident | 54 Ų | 54 | 79.2 Ų | 79.2 | 33% | 0.331 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 134.1 | 171.4 | -55.9 | 0 | 0 | 0 | 0 | 109.8 | Y19 K47 V49 | T17-Y19 HydrophobicContact CG2-CD2 4.42Å; T17-Y19 HydrophobicContact CG2-CE2 3.65Å; T17-K47 CarbonylContact C-O 3.25Å; T17-K47 WeakPolarHBondContact CA-O 3.14Å; T17-K47 HydrophobicContact CG2-CB 4.14Å; T17-K47 HydrophobicContact CG2-CD 3.67Å; T17-K47 HydrophobicContact CG2-CG 3.94Å; T17-V49 HydrophobicContact CG2-CG2 4.07Å |
| 18 | F | 97.9 | Very high | 79.9 | Confident | 16 Ų | 16 | 75.2 Ų | 75.2 | 7% | 0.07 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 148.9 | 179.7 | -63.3 | -89.1 | 0 | 0 | 0 | 111.8 | M16 Y31 Y34 I35 K38 A40 A46 K47 I48 V49 | M16-F18 HydrophobicContact CB-CD2 4.39Å; M16-F18 HydrophobicContact CB-CE2 3.55Å; M16-F18 HydrophobicContact CB-CZ 3.88Å; M16-F18 HydrophobicContact CE-CE1 4.16Å; M16-F18 HydrophobicContact CE-CZ 3.7Å; M16-F18 HydrophobicContact SD-CZ 4.19Å; F18-Y31 HydrophobicContact CB-CE1 4.18Å; F18-Y34 HydrophobicContact CD1-CE1 4.49Å; F18-I35 HydrophobicContact CB-CG2 4.43Å; F18-I35 HydrophobicContact CD1-CB 4.49Å; F18-I35 HydrophobicContact CD1-CG2 3.67Å; F18-I35 HydrophobicContact CD2-CB 4.19Å; F18-I35 HydrophobicContact CD2-CG2 3.69Å; F18-I35 HydrophobicContact CE1-CB 4.06Å; F18-I35 HydrophobicContact CE1-CG2 3.71Å; F18-I35 HydrophobicContact CE2-CB 3.73Å; F18-I35 HydrophobicContact CE2-CG2 3.73Å; F18-I35 HydrophobicContact CG-CG2 3.65Å; F18-I35 HydrophobicContact CZ-CB 3.65Å; F18-I35 HydrophobicContact CZ-CG2 3.74Å; F18-K38 HydrophobicContact CE1-CB 4.31Å; F18-K38 HydrophobicContact CE1-CG 4.25Å; F18-K38 HydrophobicContact CZ-CB 4.36Å; F18-A40 HydrophobicContact CE2-CB 3.78Å; F18-A40 HydrophobicContact CZ-CB 3.94Å; F18-A46 HydrophobicContact CE2-CB 4.29Å; F18-K47 PolarHBondContact N-O 3.21Å; F18-I48 HydrophobicContact CB-CG1 4.37Å; F18-V49 PolarHBondContact O-N 3.49Å |
| 19 | Y | 97.7 | Very high | 83 | Confident | 165 Ų | 165 | 69.4 Ų | 69.4 | 65% | 0.647 | 37% | 0.368 | S | S | * | . | trans | -130.9 | 77.6 | -179.4 | -62.7 | -88.4 | 0 | 0 | 0 | 108.8 | T17 V49 | T17-Y19 HydrophobicContact CG2-CD2 4.42Å; T17-Y19 HydrophobicContact CG2-CE2 3.65Å; Y19-V49 HydrophobicContact CD1-CB 3.64Å; Y19-V49 HydrophobicContact CD1-CG1 4.1Å; Y19-V49 HydrophobicContact CD1-CG2 4.11Å; Y19-V49 HydrophobicContact CE1-CB 3.6Å; Y19-V49 HydrophobicContact CE1-CG1 3.95Å; Y19-V49 HydrophobicContact CE1-CG2 3.59Å | ||
| 20 | P | 97 | Very high | 86.2 | Confident | 8 Ų | 8 | 68.1 Ų | 68.1 | 5% | 0.052 | 35% | 0.352 | C | S | . | . | trans | -58 | 143.8 | 176.4 | 19.9 | -32 | 0 | 0 | 0 | 113 | E24 F25 Y31 I48 V49 | P20-E24 HydrophobicContact CB-CB 4.11Å; P20-F25 HydrophobicContact CB-CB 4.24Å; P20-F25 HydrophobicContact CB-CD2 4.17Å; P20-F25 HydrophobicContact CG-CD2 3.66Å; P20-F25 HydrophobicContact CG-CE2 4.38Å; P20-Y31 HydrophobicContact CB-CD2 4.45Å; P20-Y31 HydrophobicContact CB-CE1 4.17Å; P20-Y31 HydrophobicContact CB-CE2 3.82Å; P20-Y31 HydrophobicContact CG-CE1 4.21Å; P20-I48 HydrophobicContact CG-CG2 3.86Å; P20-V49 WeakPolarHBondContact CD-O 3.28Å | ||
| 21 | T | 95.7 | Very high | 89.1 | Confident | 74 Ų | 74 | 62 Ų | 62 | 45% | 0.454 | 32% | 0.323 | S | S | . | . | trans | -69.9 | 162.2 | 158.9 | 57.2 | 0 | 0 | 0 | 0 | 111 | E23 E24 F25 | T21-E23 PolarHBondContact O-N 3.15Å; T21-E24 WeakPolarHBondContact CB-OE2 3.48Å; T21-E24 WeakPolarHBondContact CG2-OE2 3.41Å; T21-E24 PolarHBondContact N-OE2 3.2Å; T21-E24 PolarHBondContact O-N 3.49Å; T21-E24 VanDerWaalsContact O-N 3.16Å; T21-E24 VanDerWaalsContact OG1-CG 3.28Å; T21-E24 WeakPolarHBondContact OG1-CG 3.43Å; T21-E24 PolarHBondContact OG1-N 3.01Å; T21-E24 PolarHBondContact OG1-OE2 2.85Å; T21-F25 WeakPolarHBondContact O-CB 3.46Å; T21-F25 PolarHBondContact O-N 3.42Å | ||
| 22 | A | 94 | Very high | 91.8 | Very high | 27 Ų | 27 | 59.6 Ų | 59.6 | 22% | 0.223 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.3 | -36.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | F25 K26 P51 | A22-F25 PolarHBondContact O-N 3.31Å; A22-K26 WeakPolarHBondContact O-CG 3.36Å; A22-K26 PolarHBondContact O-N 3.04Å; A22-P51 HydrophobicContact CB-CG 4.45Å |
| 23 | E | 93.8 | Very high | 93.8 | Very high | 129 Ų | 129 | 56.2 Ų | 56.2 | 60% | 0.603 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -67.3 | -40.8 | 176.4 | -80.4 | 49.1 | -112.9 | 0 | 0 | 113 | T21 K26 | T21-E23 PolarHBondContact O-N 3.15Å; E23-K26 IonicContact OE1-NZ 2.67Å; E23-K26 PolarHBondContact OE1-NZ 2.86Å |
| 24 | E | 94.1 | Very high | 95.4 | Very high | 68 Ų | 68 | 51.4 Ų | 51.4 | 32% | 0.318 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -70.4 | -34.5 | 174.7 | -71.8 | 167.8 | 119.2 | 0 | 0 | 112 | P20 T21 K26 Y31 | P20-E24 HydrophobicContact CB-CB 4.11Å; T21-E24 WeakPolarHBondContact CB-OE2 3.48Å; T21-E24 WeakPolarHBondContact CG2-OE2 3.41Å; T21-E24 PolarHBondContact N-OE2 3.2Å; T21-E24 PolarHBondContact O-N 3.49Å; T21-E24 VanDerWaalsContact O-N 3.16Å; T21-E24 VanDerWaalsContact OG1-CG 3.28Å; T21-E24 WeakPolarHBondContact OG1-CG 3.43Å; T21-E24 PolarHBondContact OG1-N 3.01Å; T21-E24 PolarHBondContact OG1-OE2 2.85Å; E24-K26 VanDerWaalsContact C-N 3.31Å; E24-K26 PolarHBondContact O-N 2.88Å; E24-Y31 HydrophobicContact CB-CD2 3.87Å; E24-Y31 HydrophobicContact CB-CE2 3.76Å; E24-Y31 HydrophobicContact CG-CE2 4.31Å |
| 25 | F | 95.3 | Very high | 95.8 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.8 | -26.6 | -178 | -161.1 | -107.6 | 0 | 0 | 0 | 112.7 | P20 T21 A22 N27 P50 P51 W54 E148 W149 F268 | P20-F25 HydrophobicContact CB-CB 4.24Å; P20-F25 HydrophobicContact CB-CD2 4.17Å; P20-F25 HydrophobicContact CG-CD2 3.66Å; P20-F25 HydrophobicContact CG-CE2 4.38Å; T21-F25 WeakPolarHBondContact O-CB 3.46Å; T21-F25 PolarHBondContact O-N 3.42Å; A22-F25 PolarHBondContact O-N 3.31Å; F25-N27 PolarHBondContact O-N 3.01Å; F25-P50 HydrophobicContact CE1-CB 4.45Å; F25-P50 HydrophobicContact CE2-CB 3.82Å; F25-P50 HydrophobicContact CZ-CB 3.79Å; F25-P51 HydrophobicContact CB-CG 3.94Å; F25-P51 HydrophobicContact CD1-CG 4.45Å; F25-P51 HydrophobicContact CG-CG 4.1Å; F25-W54 HydrophobicContact CD1-CG 4.25Å; F25-W54 AromaticContact CE1-CD1 3.74Å; F25-W54 AromaticContact CE1-CD2 3.64Å; F25-W54 HydrophobicContact CE1-CD2 3.64Å; F25-W54 AromaticContact CE1-CE2 3.62Å; F25-W54 HydrophobicContact CE1-CE3 4.27Å; F25-W54 AromaticContact CE1-CG 3.73Å; F25-W54 HydrophobicContact CE1-CG 3.73Å; F25-W54 HydrophobicContact CE1-CZ2 4.22Å; F25-W54 AromaticContact CE1-NE1 3.66Å; F25-W54 HydrophobicContact CZ-CD2 4.09Å; F25-W54 HydrophobicContact CZ-CE3 4.27Å; F25-W54 HydrophobicContact CZ-CZ2 4.4Å; F25-E148 HydrophobicContact CD1-CB 3.97Å; F25-E148 HydrophobicContact CE1-CB 4.03Å; F25-W149 AromaticContact CD1-CD1 3.72Å; F25-W149 HydrophobicContact CD1-CG 4.38Å; F25-W149 AromaticContact CD2-CD1 3.81Å; F25-W149 HydrophobicContact CD2-CD2 4.12Å; F25-W149 AromaticContact CD2-CE2 3.66Å; F25-W149 HydrophobicContact CD2-CG 4.26Å; F25-W149 HydrophobicContact CD2-CZ2 4.16Å; F25-W149 AromaticContact CD2-NE1 3.44Å; F25-W149 HydrophobicContact CE1-CB 3.97Å; F25-W149 AromaticContact CE1-CD1 3.46Å; F25-W149 VanDerWaalsContact CE1-CD1 3.46Å; F25-W149 HydrophobicContact CE1-CD2 4.44Å; F25-W149 AromaticContact CE1-CG 3.71Å; F25-W149 HydrophobicContact CE1-CG 3.71Å; F25-W149 HydrophobicContact CE2-CB 4.41Å; F25-W149 AromaticContact CE2-CD1 3.59Å; F25-W149 AromaticContact CE2-CD2 3.43Å; F25-W149 HydrophobicContact CE2-CD2 3.43Å; F25-W149 VanDerWaalsContact CE2-CD2 3.43Å; F25-W149 AromaticContact CE2-CE2 3.45Å; F25-W149 VanDerWaalsContact CE2-CE2 3.45Å; F25-W149 HydrophobicContact CE2-CE3 4.01Å; F25-W149 AromaticContact CE2-CG 3.59Å; F25-W149 HydrophobicContact CE2-CG 3.59Å; F25-W149 HydrophobicContact CE2-CZ2 4.1Å; F25-W149 AromaticContact CE2-NE1 3.53Å; F25-W149 AromaticContact CG-CD1 3.88Å; F25-W149 AromaticContact CG-NE1 3.73Å; F25-W149 HydrophobicContact CZ-CB 3.65Å; F25-W149 AromaticContact CZ-CD1 3.4Å; F25-W149 VanDerWaalsContact CZ-CD1 3.4Å; F25-W149 AromaticContact CZ-CD2 3.62Å; F25-W149 HydrophobicContact CZ-CD2 3.62Å; F25-W149 HydrophobicContact CZ-CE3 4.31Å; F25-W149 AromaticContact CZ-CG 3.26Å; F25-W149 HydrophobicContact CZ-CG 3.26Å; F25-W149 AromaticContact CZ-NE1 3.87Å; F25-W149 PolarHBondContact O-NE1 2.73Å; F25-F268 HydrophobicContact CE2-CE2 4.17Å; F25-F268 AromaticContact CZ-CE2 3.74Å; F25-F268 HydrophobicContact CZ-CE2 3.74Å; F25-F268 HydrophobicContact CZ-CZ 4.22Å |
| 26 | K | 93.8 | Very high | 95.9 | Very high | 116 Ų | 116 | 49.4 Ų | 49.4 | 50% | 0.504 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17.8 | -179 | -76.6 | 160.2 | -170.6 | 169.2 | 0 | 115.8 | A22 E23 E24 E148 | A22-K26 WeakPolarHBondContact O-CG 3.36Å; A22-K26 PolarHBondContact O-N 3.04Å; E23-K26 IonicContact OE1-NZ 2.67Å; E23-K26 PolarHBondContact OE1-NZ 2.86Å; E24-K26 VanDerWaalsContact C-N 3.31Å; E24-K26 PolarHBondContact O-N 2.88Å; K26-E148 HydrophobicContact CG-CG 4.1Å |
| 27 | N | 93.2 | Very high | 95.8 | Very high | 79 Ų | 79 | 48.5 Ų | 48.5 | 42% | 0.422 | 24% | 0.235 | S | C | . | . | trans | -129.5 | 97.3 | 179.6 | -169.4 | -49.8 | 0 | 0 | 0 | 111.9 | F25 S29 R30 Y31 | F25-N27 PolarHBondContact O-N 3.01Å; N27-S29 PolarHBondContact OD1-N 2.85Å; N27-R30 HydrophobicContact CB-CB 4.03Å; N27-R30 PolarHBondContact O-N 2.92Å; N27-R30 WeakPolarHBondContact OD1-CB 3.26Å; N27-R30 PolarHBondContact OD1-N 3.45Å; N27-Y31 PolarHBondContact O-N 3.45Å | ||
| 28 | F | 95.3 | Very high | 95.7 | Very high | 12 Ų | 12 | 49.6 Ų | 49.6 | 5% | 0.053 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -51.8 | -60.1 | 179.7 | 176.1 | -110.1 | 0 | 0 | 0 | 112.9 | R30 Y31 I32 W149 L154 T156 I198 I270 F292 | F28-R30 VanDerWaalsContact C-N 3.31Å; F28-R30 PolarHBondContact O-N 3.28Å; F28-Y31 CarbonylContact O-C 3.56Å; F28-Y31 WeakPolarHBondContact O-CA 3.19Å; F28-Y31 PolarHBondContact O-N 3.47Å; F28-I32 HydrophobicContact CD1-CG1 4.45Å; F28-I32 HydrophobicContact CD2-CD1 4.44Å; F28-I32 HydrophobicContact CD2-CG1 4.2Å; F28-I32 HydrophobicContact CE1-CG1 4.06Å; F28-I32 HydrophobicContact CE2-CD1 3.74Å; F28-I32 HydrophobicContact CE2-CG1 3.78Å; F28-I32 HydrophobicContact CZ-CD1 3.93Å; F28-I32 HydrophobicContact CZ-CG1 3.72Å; F28-I32 WeakPolarHBondContact O-CG1 3.47Å; F28-I32 PolarHBondContact O-N 3.16Å; F28-W149 AromaticContact CD2-CD2 3.67Å; F28-W149 HydrophobicContact CD2-CD2 3.67Å; F28-W149 AromaticContact CD2-CE2 3.75Å; F28-W149 AromaticContact CD2-CE3 3.69Å; F28-W149 HydrophobicContact CD2-CE3 3.69Å; F28-W149 HydrophobicContact CD2-CG 4.32Å; F28-W149 AromaticContact CD2-CH2 3.81Å; F28-W149 HydrophobicContact CD2-CH2 3.81Å; F28-W149 AromaticContact CD2-CZ2 3.85Å; F28-W149 HydrophobicContact CD2-CZ2 3.85Å; F28-W149 AromaticContact CD2-CZ3 3.76Å; F28-W149 HydrophobicContact CD2-CZ3 3.76Å; F28-W149 HydrophobicContact CE2-CD2 4.37Å; F28-W149 AromaticContact CE2-CE3 3.93Å; F28-W149 HydrophobicContact CE2-CE3 3.93Å; F28-W149 HydrophobicContact CE2-CH2 4.03Å; F28-W149 AromaticContact CE2-CZ3 3.74Å; F28-W149 HydrophobicContact CE2-CZ3 3.74Å; F28-L154 HydrophobicContact CD1-CB 3.99Å; F28-L154 HydrophobicContact CD1-CD2 4.18Å; F28-L154 WeakPolarHBondContact CD1-O 3.43Å; F28-L154 HydrophobicContact CD2-CD2 4.44Å; F28-L154 HydrophobicContact CE1-CB 3.98Å; F28-L154 HydrophobicContact CE1-CD1 4.34Å; F28-L154 HydrophobicContact CE1-CD2 4.1Å; F28-L154 HydrophobicContact CE1-CG 4.37Å; F28-L154 HydrophobicContact CE2-CD2 4.37Å; F28-L154 HydrophobicContact CG-CD2 4.35Å; F28-L154 HydrophobicContact CZ-CD2 4.19Å; F28-T156 HydrophobicContact CD1-CG2 4.08Å; F28-T156 HydrophobicContact CE1-CG2 3.88Å; F28-I198 HydrophobicContact CE2-CD1 3.82Å; F28-I198 HydrophobicContact CZ-CD1 4.3Å; F28-I270 HydrophobicContact CE2-CD1 4.29Å; F28-F292 HydrophobicContact CE1-CD1 4.38Å; F28-F292 AromaticContact CE1-CD2 3.83Å; F28-F292 HydrophobicContact CE1-CD2 3.83Å; F28-F292 HydrophobicContact CE1-CE1 4.48Å; F28-F292 AromaticContact CE1-CE2 3.94Å; F28-F292 HydrophobicContact CE1-CE2 3.94Å; F28-F292 HydrophobicContact CE1-CG 4.06Å; F28-F292 HydrophobicContact CE1-CZ 4.27Å; F28-F292 AromaticContact CZ-CD1 3.98Å; F28-F292 HydrophobicContact CZ-CD1 3.98Å; F28-F292 HydrophobicContact CZ-CD2 4.02Å; F28-F292 AromaticContact CZ-CE1 3.74Å; F28-F292 HydrophobicContact CZ-CE1 3.74Å; F28-F292 AromaticContact CZ-CE2 3.78Å; F28-F292 HydrophobicContact CZ-CE2 3.78Å; F28-F292 HydrophobicContact CZ-CG 4.11Å; F28-F292 AromaticContact CZ-CZ 3.64Å; F28-F292 HydrophobicContact CZ-CZ 3.64Å |
| 29 | S | 94 | Very high | 95.5 | Very high | 46 Ų | 46 | 49.9 Ų | 49.9 | 32% | 0.322 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.5 | -40.1 | -175.5 | -56.7 | 0 | 0 | 0 | 0 | 112.9 | N27 I32 A33 G155 | N27-S29 PolarHBondContact OD1-N 2.85Å; S29-I32 PolarHBondContact O-N 3.08Å; S29-A33 PolarHBondContact O-N 3.23Å; S29-G155 PolarHBondContact OG-O 2.68Å |
| 30 | R | 94.8 | Very high | 95.4 | Very high | 125 Ų | 125 | 42 Ų | 42 | 47% | 0.472 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -68.8 | -33.8 | 175.2 | -173.4 | 168.2 | 177.7 | -123.8 | 4.9 | 112.2 | N27 F28 A33 Y34 E353 F354 | N27-R30 HydrophobicContact CB-CB 4.03Å; N27-R30 PolarHBondContact O-N 2.92Å; N27-R30 WeakPolarHBondContact OD1-CB 3.26Å; N27-R30 PolarHBondContact OD1-N 3.45Å; F28-R30 VanDerWaalsContact C-N 3.31Å; F28-R30 PolarHBondContact O-N 3.28Å; R30-A33 PolarHBondContact O-N 3.44Å; R30-Y34 PolarHBondContact O-N 2.88Å; R30-E353 IonicContact CZ-OE1 2.73Å; R30-E353 IonicContact CZ-OE2 2.71Å; R30-E353 IonicContact NE-OE1 3.31Å; R30-E353 PolarHBondContact NE-OE1 3.07Å; R30-E353 IonicContact NE-OE2 3.13Å; R30-E353 PolarHBondContact NE-OE2 3.12Å; R30-E353 IonicContact NH2-OE1 2.67Å; R30-E353 PolarHBondContact NH2-OE1 3.06Å; R30-E353 IonicContact NH2-OE2 3.75Å; R30-F354 HydrophobicContact CG-CE2 4.42Å; R30-F354 HydrophobicContact CG-CZ 3.78Å |
| 31 | Y | 97.2 | Very high | 95.4 | Very high | 11 Ų | 11 | 41.8 Ų | 41.8 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -73.2 | -35.4 | 174.4 | -155.5 | -101.1 | 0 | 0 | 0 | 112.9 | F18 P20 E24 N27 F28 A33 Y34 I35 I48 W149 | F18-Y31 HydrophobicContact CB-CE1 4.18Å; P20-Y31 HydrophobicContact CB-CD2 4.45Å; P20-Y31 HydrophobicContact CB-CE1 4.17Å; P20-Y31 HydrophobicContact CB-CE2 3.82Å; P20-Y31 HydrophobicContact CG-CE1 4.21Å; E24-Y31 HydrophobicContact CB-CD2 3.87Å; E24-Y31 HydrophobicContact CB-CE2 3.76Å; E24-Y31 HydrophobicContact CG-CE2 4.31Å; N27-Y31 PolarHBondContact O-N 3.45Å; F28-Y31 CarbonylContact O-C 3.56Å; F28-Y31 WeakPolarHBondContact O-CA 3.19Å; F28-Y31 PolarHBondContact O-N 3.47Å; Y31-A33 VanDerWaalsContact C-N 3.34Å; Y31-Y34 HydrophobicContact CD2-CD1 4.12Å; Y31-Y34 AromaticContact CE2-CD1 3.68Å; Y31-Y34 HydrophobicContact CE2-CD1 3.68Å; Y31-Y34 HydrophobicContact CE2-CE1 4.08Å; Y31-Y34 AromaticContact CZ-CD1 3.95Å; Y31-Y34 WeakPolarHBondContact O-CB 3.2Å; Y31-Y34 PolarHBondContact O-N 3.46Å; Y31-I35 HydrophobicContact CD1-CG2 3.95Å; Y31-I35 HydrophobicContact CE1-CG2 3.65Å; Y31-I35 PolarHBondContact O-N 2.99Å; Y31-I48 HydrophobicContact CD1-CD1 4.33Å; Y31-I48 HydrophobicContact CE1-CD1 4.36Å; Y31-I48 HydrophobicContact CE1-CG2 4.2Å; Y31-W149 HydrophobicContact CD1-CH2 4.02Å; Y31-W149 AromaticContact CD1-CZ2 3.83Å; Y31-W149 HydrophobicContact CD1-CZ2 3.83Å; Y31-W149 HydrophobicContact CG-CZ2 4.15Å |
| 32 | I | 97.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.5 | -45.6 | 170.3 | -63.4 | -57.5 | 0 | 0 | 0 | 110.4 | F28 S29 Y34 I35 E36 Y196 I270 F292 T294 | F28-I32 HydrophobicContact CD1-CG1 4.45Å; F28-I32 HydrophobicContact CD2-CD1 4.44Å; F28-I32 HydrophobicContact CD2-CG1 4.2Å; F28-I32 HydrophobicContact CE1-CG1 4.06Å; F28-I32 HydrophobicContact CE2-CD1 3.74Å; F28-I32 HydrophobicContact CE2-CG1 3.78Å; F28-I32 HydrophobicContact CZ-CD1 3.93Å; F28-I32 HydrophobicContact CZ-CG1 3.72Å; F28-I32 WeakPolarHBondContact O-CG1 3.47Å; F28-I32 PolarHBondContact O-N 3.16Å; S29-I32 PolarHBondContact O-N 3.08Å; I32-Y34 VanDerWaalsContact C-N 3.3Å; I32-Y34 PolarHBondContact O-N 2.71Å; I32-I35 HydrophobicContact CD1-CD1 3.98Å; I32-I35 VanDerWaalsContact O-CG1 3.26Å; I32-I35 WeakPolarHBondContact O-CG1 3.46Å; I32-I35 PolarHBondContact O-N 3.36Å; I32-E36 WeakPolarHBondContact O-CG 3.5Å; I32-E36 PolarHBondContact O-N 3.41Å; I32-E36 VanDerWaalsContact O-N 3.12Å; I32-Y196 HydrophobicContact CG2-CE1 4.33Å; I32-I270 HydrophobicContact CD1-CD1 4.1Å; I32-I270 HydrophobicContact CD1-CG1 4.11Å; I32-I270 HydrophobicContact CD1-CG2 4.22Å; I32-F292 HydrophobicContact CD1-CE2 4.38Å; I32-F292 HydrophobicContact CD1-CZ 4Å; I32-F292 HydrophobicContact CG1-CE2 4.08Å; I32-F292 HydrophobicContact CG1-CZ 4.21Å; I32-F292 HydrophobicContact CG2-CE2 4.23Å; I32-T294 HydrophobicContact CG2-CG2 3.95Å |
| 33 | A | 96.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 2% | 0.017 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.6 | -39.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S29 R30 Y31 S37 T348 E350 A351 F354 | S29-A33 PolarHBondContact O-N 3.23Å; R30-A33 PolarHBondContact O-N 3.44Å; Y31-A33 VanDerWaalsContact C-N 3.34Å; A33-S37 PolarHBondContact O-N 2.79Å; A33-T348 HydrophobicContact CB-CG2 4.21Å; A33-E350 HydrophobicContact CB-CB 3.86Å; A33-A351 HydrophobicContact CB-CB 4.31Å; A33-A351 WeakPolarHBondContact O-CB 3.34Å; A33-F354 HydrophobicContact CB-CE2 3.99Å |
| 34 | Y | 97.4 | Very high | 95.4 | Very high | 61 Ų | 61 | 35.2 Ų | 35.2 | 24% | 0.239 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.7 | -48.5 | 175.4 | 173.3 | -102.7 | 0 | 0 | 0 | 113 | F18 R30 Y31 I32 E36 S37 K38 F354 | F18-Y34 HydrophobicContact CD1-CE1 4.49Å; R30-Y34 PolarHBondContact O-N 2.88Å; Y31-Y34 HydrophobicContact CD2-CD1 4.12Å; Y31-Y34 AromaticContact CE2-CD1 3.68Å; Y31-Y34 HydrophobicContact CE2-CD1 3.68Å; Y31-Y34 HydrophobicContact CE2-CE1 4.08Å; Y31-Y34 AromaticContact CZ-CD1 3.95Å; Y31-Y34 WeakPolarHBondContact O-CB 3.2Å; Y31-Y34 PolarHBondContact O-N 3.46Å; I32-Y34 VanDerWaalsContact C-N 3.3Å; I32-Y34 PolarHBondContact O-N 2.71Å; Y34-E36 VanDerWaalsContact C-N 3.32Å; Y34-E36 PolarHBondContact O-N 3.05Å; Y34-S37 WeakPolarHBondContact O-CB 3.49Å; Y34-S37 PolarHBondContact O-N 3.28Å; Y34-S37 VanDerWaalsContact O-N 3.11Å; Y34-S37 PolarHBondContact O-OG 2.85Å; Y34-K38 VanDerWaalsContact CZ-CE 3.4Å; Y34-K38 PolarHBondContact O-N 3.39Å; Y34-K38 WeakPolarHBondContact OH-CE 3.42Å; Y34-F354 AromaticContact CD2-CD1 3.83Å; Y34-F354 HydrophobicContact CD2-CD1 3.83Å; Y34-F354 HydrophobicContact CD2-CE1 4.01Å; Y34-F354 HydrophobicContact CD2-CG 4.13Å; Y34-F354 HydrophobicContact CD2-CZ 4.47Å |
| 35 | I | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.8 | -32 | -178.9 | 66.7 | -179.1 | 0 | 0 | 0 | 112.2 | F18 Y31 I32 K38 G39 A40 I48 F272 | F18-I35 HydrophobicContact CB-CG2 4.43Å; F18-I35 HydrophobicContact CD1-CB 4.49Å; F18-I35 HydrophobicContact CD1-CG2 3.67Å; F18-I35 HydrophobicContact CD2-CB 4.19Å; F18-I35 HydrophobicContact CD2-CG2 3.69Å; F18-I35 HydrophobicContact CE1-CB 4.06Å; F18-I35 HydrophobicContact CE1-CG2 3.71Å; F18-I35 HydrophobicContact CE2-CB 3.73Å; F18-I35 HydrophobicContact CE2-CG2 3.73Å; F18-I35 HydrophobicContact CG-CG2 3.65Å; F18-I35 HydrophobicContact CZ-CB 3.65Å; F18-I35 HydrophobicContact CZ-CG2 3.74Å; Y31-I35 HydrophobicContact CD1-CG2 3.95Å; Y31-I35 HydrophobicContact CE1-CG2 3.65Å; Y31-I35 PolarHBondContact O-N 2.99Å; I32-I35 HydrophobicContact CD1-CD1 3.98Å; I32-I35 VanDerWaalsContact O-CG1 3.26Å; I32-I35 WeakPolarHBondContact O-CG1 3.46Å; I32-I35 PolarHBondContact O-N 3.36Å; I35-K38 PolarHBondContact O-N 3.17Å; I35-G39 PolarHBondContact O-N 2.99Å; I35-A40 HydrophobicContact CB-CB 4.09Å; I35-A40 HydrophobicContact CG1-CB 4.36Å; I35-A40 VanDerWaalsContact O-CB 3.25Å; I35-A40 WeakPolarHBondContact O-CB 3.49Å; I35-A40 PolarHBondContact O-N 3.42Å; I35-A40 VanDerWaalsContact O-N 3.13Å; I35-I48 HydrophobicContact CD1-CD1 3.86Å; I35-F272 HydrophobicContact CD1-CZ 3.91Å; I35-F272 HydrophobicContact CG1-CZ 4.31Å |
| 36 | E | 96.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.009 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.7 | -37.2 | 170.1 | -67 | -149.1 | 167.2 | 0 | 0 | 112.4 | I32 Y34 K38 G39 H41 Y196 F272 R296 P347 T348 | I32-E36 WeakPolarHBondContact O-CG 3.5Å; I32-E36 PolarHBondContact O-N 3.41Å; I32-E36 VanDerWaalsContact O-N 3.12Å; Y34-E36 VanDerWaalsContact C-N 3.32Å; Y34-E36 PolarHBondContact O-N 3.05Å; E36-K38 PolarHBondContact O-N 2.95Å; E36-K38 VanDerWaalsContact O-N 3.1Å; E36-G39 WeakPolarHBondContact O-CA 3.47Å; E36-G39 PolarHBondContact O-N 2.98Å; E36-H41 HydrophobicContact CG-CB 4.04Å; E36-H41 PolarHBondContact O-CE1 3.17Å; E36-H41 VanDerWaalsContact O-CE1 3.23Å; E36-H41 PolarHBondContact O-ND1 3.26Å; E36-Y196 WeakPolarHBondContact OE1-CE1 3.4Å; E36-Y196 PolarHBondContact OE1-OH 2.93Å; E36-F272 HydrophobicContact CG-CD1 4.44Å; E36-F272 HydrophobicContact CG-CE1 3.8Å; E36-F272 VanDerWaalsContact OE1-CD1 3.23Å; E36-F272 WeakPolarHBondContact OE1-CD1 3.21Å; E36-F272 WeakPolarHBondContact OE1-CE1 3.47Å; E36-R296 IonicContact OE1-CZ 3.31Å; E36-R296 IonicContact OE1-NE 3.48Å; E36-R296 PolarHBondContact OE1-NE 3.39Å; E36-R296 IonicContact OE1-NH2 3.46Å; E36-R296 PolarHBondContact OE1-NH2 2.92Å; E36-R296 IonicContact OE2-CZ 3.4Å; E36-R296 IonicContact OE2-NE 2.71Å; E36-R296 PolarHBondContact OE2-NE 3.38Å; E36-R296 IonicContact OE2-NH2 3.41Å; E36-P347 HydrophobicContact CB-CB 3.72Å; E36-P347 WeakPolarHBondContact OE2-CA 3.44Å; E36-T348 WeakPolarHBondContact OE2-CB 3.14Å; E36-T348 PolarHBondContact OE2-N 3.06Å |
| 37 | S | 95.5 | Very high | 96 | Very high | 19 Ų | 19 | 27 Ų | 27 | 13% | 0.133 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.2 | -26.8 | 172.4 | 86.5 | 0 | 0 | 0 | 0 | 113.1 | A33 Y34 F354 | A33-S37 PolarHBondContact O-N 2.79Å; Y34-S37 WeakPolarHBondContact O-CB 3.49Å; Y34-S37 PolarHBondContact O-N 3.28Å; Y34-S37 VanDerWaalsContact O-N 3.11Å; Y34-S37 PolarHBondContact O-OG 2.85Å; S37-F354 WeakPolarHBondContact OG-CB 3.42Å |
| 38 | K | 95.3 | Very high | 96.2 | Very high | 77 Ų | 77 | 23.3 Ų | 23.3 | 34% | 0.335 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -8.6 | 176.3 | -51 | -46.6 | 175.8 | -148.5 | 0 | 113.7 | M16 F18 Y34 I35 E36 | M16-K38 HydrophobicContact CE-CB 4.05Å; F18-K38 HydrophobicContact CE1-CB 4.31Å; F18-K38 HydrophobicContact CE1-CG 4.25Å; F18-K38 HydrophobicContact CZ-CB 4.36Å; Y34-K38 VanDerWaalsContact CZ-CE 3.4Å; Y34-K38 PolarHBondContact O-N 3.39Å; Y34-K38 WeakPolarHBondContact OH-CE 3.42Å; I35-K38 PolarHBondContact O-N 3.17Å; E36-K38 PolarHBondContact O-N 2.95Å; E36-K38 VanDerWaalsContact O-N 3.1Å |
| 39 | G | 94.7 | Very high | 96.3 | Very high | 21 Ų | 21 | 24.2 Ų | 24.2 | 22% | 0.216 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.8 | 14.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | I35 E36 H41 R42 | I35-G39 PolarHBondContact O-N 2.99Å; E36-G39 WeakPolarHBondContact O-CA 3.47Å; E36-G39 PolarHBondContact O-N 2.98Å; G39-H41 VanDerWaalsContact C-N 3.3Å; G39-H41 PolarHBondContact O-N 3.03Å; G39-R42 WeakPolarHBondContact O-CB 3.36Å; G39-R42 PolarHBondContact O-N 2.98Å; G39-R42 VanDerWaalsContact O-N 3.12Å |
| 40 | A | 95.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -58.3 | -38.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | M16 F18 I35 R42 A43 A46 F272 | M16-A40 HydrophobicContact SD-CB 4.32Å; F18-A40 HydrophobicContact CE2-CB 3.78Å; F18-A40 HydrophobicContact CZ-CB 3.94Å; I35-A40 HydrophobicContact CB-CB 4.09Å; I35-A40 HydrophobicContact CG1-CB 4.36Å; I35-A40 VanDerWaalsContact O-CB 3.25Å; I35-A40 WeakPolarHBondContact O-CB 3.49Å; I35-A40 PolarHBondContact O-N 3.42Å; I35-A40 VanDerWaalsContact O-N 3.13Å; A40-R42 PolarHBondContact O-N 3.48Å; A40-R42 VanDerWaalsContact O-N 3.11Å; A40-A43 WeakPolarHBondContact O-CB 3.36Å; A40-A43 PolarHBondContact O-N 3.48Å; A40-A46 HydrophobicContact CB-CB 4.23Å; A40-F272 HydrophobicContact CB-CE2 4.42Å; A40-F272 HydrophobicContact CB-CZ 3.96Å |
| 41 | H | 96 | Very high | 96.6 | Very high | 4 Ų | 4 | 17.4 Ų | 17.4 | 2% | 0.019 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -56.9 | -26.2 | 177.7 | 59.2 | -65.2 | 0 | 0 | 0 | 114 | E36 G39 A43 G44 F272 S345 K346 | E36-H41 HydrophobicContact CG-CB 4.04Å; E36-H41 PolarHBondContact O-CE1 3.17Å; E36-H41 VanDerWaalsContact O-CE1 3.23Å; E36-H41 PolarHBondContact O-ND1 3.26Å; G39-H41 VanDerWaalsContact C-N 3.3Å; G39-H41 PolarHBondContact O-N 3.03Å; H41-A43 VanDerWaalsContact C-N 3.27Å; H41-A43 PolarHBondContact O-N 2.88Å; H41-G44 PolarHBondContact O-N 2.94Å; H41-G44 VanDerWaalsContact O-N 3.1Å; H41-F272 HydrophobicContact CB-CB 4.4Å; H41-F272 HydrophobicContact CB-CD1 3.43Å; H41-F272 VanDerWaalsContact CB-CD1 3.43Å; H41-F272 HydrophobicContact CB-CE1 3.76Å; H41-F272 HydrophobicContact CB-CG 3.93Å; H41-F272 HydrophobicContact CB-CZ 4.48Å; H41-S345 PolarHBondContact NE2-O 3.49Å; H41-K346 PolarHBondContact NE2-O 3.36Å |
| 42 | R | 94.3 | Very high | 96.3 | Very high | 78 Ų | 78 | 26.4 Ų | 26.4 | 29% | 0.294 | 13% | 0.128 | S | C | . | . | G | 310 helix | trans | -67.7 | -26.4 | 178.1 | -61.8 | -175.6 | 59.6 | -159 | -7.3 | 112.9 | G39 A40 G44 S213 | G39-R42 WeakPolarHBondContact O-CB 3.36Å; G39-R42 PolarHBondContact O-N 2.98Å; G39-R42 VanDerWaalsContact O-N 3.12Å; A40-R42 PolarHBondContact O-N 3.48Å; A40-R42 VanDerWaalsContact O-N 3.11Å; R42-G44 VanDerWaalsContact C-N 3.35Å; R42-S213 WeakPolarHBondContact O-CB 3.19Å |
| 43 | A | 94.1 | Very high | 96 | Very high | 13 Ų | 13 | 33.1 Ų | 33.1 | 11% | 0.107 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -27.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G14 I15 A40 H41 L45 C211 | G14-A43 VanDerWaalsContact O-CB 3.3Å; G14-A43 WeakPolarHBondContact O-CB 3.16Å; I15-A43 HydrophobicContact CG1-CB 4.43Å; A40-A43 WeakPolarHBondContact O-CB 3.36Å; A40-A43 PolarHBondContact O-N 3.48Å; H41-A43 VanDerWaalsContact C-N 3.27Å; H41-A43 PolarHBondContact O-N 2.88Å; A43-L45 VanDerWaalsContact C-N 3.28Å; A43-C211 PolarHBondContact O-SG 2.93Å |
| 44 | G | 95.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 86.9 | -13.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | H41 R42 F272 A275 | H41-G44 PolarHBondContact O-N 2.94Å; H41-G44 VanDerWaalsContact O-N 3.1Å; R42-G44 VanDerWaalsContact C-N 3.35Å; G44-F272 PolarHBondContact O-N 2.83Å; G44-F272 VanDerWaalsContact O-N 3.11Å; G44-A275 WeakPolarHBondContact O-CB 3.27Å |
| 45 | L | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 141.9 | 178.8 | -173.8 | 69.1 | 0 | 0 | 0 | 109.4 | I15 A43 W209 C211 I261 M269 I270 T271 | I15-L45 HydrophobicContact CD1-CB 4.43Å; I15-L45 HydrophobicContact CD1-CD2 4.02Å; I15-L45 HydrophobicContact CG1-CB 4.34Å; A43-L45 VanDerWaalsContact C-N 3.28Å; L45-W209 HydrophobicContact CD1-CE3 4.14Å; L45-W209 HydrophobicContact CD1-CZ3 4.48Å; L45-W209 HydrophobicContact CD2-CB 3.68Å; L45-W209 HydrophobicContact CD2-CD2 4.39Å; L45-W209 HydrophobicContact CD2-CE3 4.31Å; L45-W209 HydrophobicContact CD2-CG 4.18Å; L45-C211 HydrophobicContact CB-CB 3.71Å; L45-C211 HydrophobicContact CD2-CB 4.03Å; L45-I261 HydrophobicContact CD2-CG2 3.89Å; L45-M269 HydrophobicContact CD1-CB 4.49Å; L45-M269 HydrophobicContact CD1-CE 3.79Å; L45-M269 HydrophobicContact CD2-CE 3.7Å; L45-M269 HydrophobicContact CG-CE 3.56Å; L45-I270 WeakPolarHBondContact CA-O 3.47Å; L45-T271 HydrophobicContact CD1-CG2 3.92Å |
| 46 | A | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 151.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | M16 F18 A40 M269 I270 F272 | M16-A46 WeakPolarHBondContact O-CA 3.38Å; F18-A46 HydrophobicContact CE2-CB 4.29Å; A40-A46 HydrophobicContact CB-CB 4.23Å; A46-M269 WeakPolarHBondContact O-CA 3.42Å; A46-M269 WeakPolarHBondContact O-CE 3.32Å; A46-I270 PolarHBondContact N-O 3.26Å; A46-I270 PolarHBondContact O-N 2.62Å; A46-F272 HydrophobicContact CB-CE2 3.76Å; A46-F272 HydrophobicContact CB-CZ 4.18Å |
| 47 | K | 98.5 | Very high | 95.4 | Very high | 17 Ų | 17 | 41.3 Ų | 41.3 | 7% | 0.074 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 140.6 | 170.8 | 176.5 | -172.9 | -83.1 | -153.9 | 0 | 109.3 | M16 T17 F18 V49 I261 T262 E267 F268 M269 | M16-K47 PolarHBondContact O-N 2.68Å; T17-K47 CarbonylContact C-O 3.25Å; T17-K47 WeakPolarHBondContact CA-O 3.14Å; T17-K47 HydrophobicContact CG2-CB 4.14Å; T17-K47 HydrophobicContact CG2-CD 3.67Å; T17-K47 HydrophobicContact CG2-CG 3.94Å; F18-K47 PolarHBondContact N-O 3.21Å; K47-V49 HydrophobicContact CD-CG2 4.1Å; K47-V49 HydrophobicContact CG-CG2 4.27Å; K47-I261 HydrophobicContact CB-CD1 3.94Å; K47-I261 HydrophobicContact CD-CD1 4.26Å; K47-T262 WeakPolarHBondContact CE-O 3.32Å; K47-T262 PolarHBondContact NZ-O 2.9Å; K47-E267 WeakPolarHBondContact CD-OE1 3.35Å; K47-E267 WeakPolarHBondContact CE-OE1 3.44Å; K47-E267 WeakPolarHBondContact CE-OE2 3.49Å; K47-E267 IonicContact NZ-OE1 2.66Å; K47-E267 PolarHBondContact NZ-OE1 2.77Å; K47-E267 IonicContact NZ-OE2 2.62Å; K47-E267 PolarHBondContact NZ-OE2 3.29Å; K47-F268 WeakPolarHBondContact CA-O 3.44Å; K47-M269 HydrophobicContact CB-CE 4.2Å; K47-M269 HydrophobicContact CB-SD 3.67Å; K47-M269 HydrophobicContact CG-SD 3.93Å |
| 48 | I | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 118.6 | 174.6 | -51.1 | -179.6 | 0 | 0 | 0 | 108.1 | F18 P20 Y31 I35 W149 F268 I270 | F18-I48 HydrophobicContact CB-CG1 4.37Å; P20-I48 HydrophobicContact CG-CG2 3.86Å; Y31-I48 HydrophobicContact CD1-CD1 4.33Å; Y31-I48 HydrophobicContact CE1-CD1 4.36Å; Y31-I48 HydrophobicContact CE1-CG2 4.2Å; I35-I48 HydrophobicContact CD1-CD1 3.86Å; I48-W149 HydrophobicContact CD1-CH2 3.51Å; I48-W149 HydrophobicContact CD1-CZ3 3.86Å; I48-W149 HydrophobicContact CG2-CH2 4.15Å; I48-W149 HydrophobicContact CG2-CZ3 4.41Å; I48-F268 HydrophobicContact CB-CB 4.19Å; I48-F268 PolarHBondContact N-O 3.01Å; I48-F268 WeakPolarHBondContact O-CB 3.46Å; I48-F268 PolarHBondContact O-N 2.75Å; I48-I270 HydrophobicContact CD1-CG1 3.67Å; I48-I270 HydrophobicContact CG1-CG1 4.37Å |
| 49 | V | 98.1 | Very high | 94.9 | Very high | 31 Ų | 31 | 42.6 Ų | 42.6 | 19% | 0.188 | 22% | 0.219 | C | C | . | . | trans | -99.1 | 113.5 | 178.4 | -174.4 | 0 | 0 | 0 | 0 | 107.3 | T17 F18 Y19 P20 K47 E267 | T17-V49 HydrophobicContact CG2-CG2 4.07Å; F18-V49 PolarHBondContact O-N 3.49Å; Y19-V49 HydrophobicContact CD1-CB 3.64Å; Y19-V49 HydrophobicContact CD1-CG1 4.1Å; Y19-V49 HydrophobicContact CD1-CG2 4.11Å; Y19-V49 HydrophobicContact CE1-CB 3.6Å; Y19-V49 HydrophobicContact CE1-CG1 3.95Å; Y19-V49 HydrophobicContact CE1-CG2 3.59Å; P20-V49 WeakPolarHBondContact CD-O 3.28Å; K47-V49 HydrophobicContact CD-CG2 4.1Å; K47-V49 HydrophobicContact CG-CG2 4.27Å; V49-E267 HydrophobicContact CG2-CG 4.19Å | ||
| 50 | P | 97.2 | Very high | 94.8 | Very high | 16 Ų | 16 | 44.1 Ų | 44.1 | 10% | 0.104 | 22% | 0.218 | C | C | . | . | trans | -68.3 | 167.2 | -174.5 | 29.5 | -35 | 0 | 0 | 0 | 112.2 | F25 W54 G266 F268 | F25-P50 HydrophobicContact CE1-CB 4.45Å; F25-P50 HydrophobicContact CE2-CB 3.82Å; F25-P50 HydrophobicContact CZ-CB 3.79Å; P50-W54 HydrophobicContact CB-CD2 4.38Å; P50-W54 HydrophobicContact CB-CE3 3.63Å; P50-W54 HydrophobicContact CB-CZ3 4.13Å; P50-W54 HydrophobicContact CG-CE3 3.78Å; P50-W54 HydrophobicContact CG-CZ3 3.99Å; P50-G266 WeakPolarHBondContact CD-O 3.08Å; P50-G266 VanDerWaalsContact CG-O 3.24Å; P50-G266 WeakPolarHBondContact CG-O 3.4Å; P50-F268 HydrophobicContact CB-CE2 4.22Å; P50-F268 HydrophobicContact CG-CD2 4.35Å; P50-F268 HydrophobicContact CG-CE2 4.22Å | ||
| 51 | P | 96.6 | Very high | 94.5 | Very high | 12 Ų | 12 | 52.1 Ų | 52.1 | 8% | 0.078 | 26% | 0.256 | C | S | . | . | trans | -52.4 | 141.7 | 169.5 | -22.3 | 32.4 | 0 | 0 | 0 | 111.1 | A22 F25 E53 W54 | A22-P51 HydrophobicContact CB-CG 4.45Å; F25-P51 HydrophobicContact CB-CG 3.94Å; F25-P51 HydrophobicContact CD1-CG 4.45Å; F25-P51 HydrophobicContact CG-CG 4.1Å; P51-E53 VanDerWaalsContact CB-CD 3.47Å; P51-E53 HydrophobicContact CB-CG 3.94Å; P51-E53 PolarHBondContact O-N 3.36Å; P51-W54 HydrophobicContact CB-CB 4.37Å; P51-W54 PolarHBondContact O-N 3.21Å | ||
| 52 | K | 91.6 | Very high | 94.2 | Very high | 200 Ų | 200 | 56.9 Ų | 56.9 | 87% | 0.87 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -23.8 | -173 | -65.2 | -178.7 | 179.3 | 179.3 | 0 | 113.3 | ||
| 53 | E | 91.1 | Very high | 94.2 | Very high | 142 Ų | 142 | 53.5 Ų | 53.5 | 66% | 0.664 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -24.3 | 175.1 | 56.7 | -90.6 | -141.9 | 0 | 0 | 113.1 | P51 | P51-E53 VanDerWaalsContact CB-CD 3.47Å; P51-E53 HydrophobicContact CB-CG 3.94Å; P51-E53 PolarHBondContact O-N 3.36Å |
| 54 | W | 94.6 | Very high | 94.1 | Very high | 29 Ų | 29 | 53.8 Ų | 53.8 | 11% | 0.11 | 27% | 0.269 | C | S | . | . | trans | -83.1 | 138.2 | 178.8 | 178.8 | 89.8 | 0 | 0 | 0 | 111.3 | F25 P50 P51 P56 Y142 I146 E148 Y200 F268 | F25-W54 HydrophobicContact CD1-CG 4.25Å; F25-W54 AromaticContact CE1-CD1 3.74Å; F25-W54 AromaticContact CE1-CD2 3.64Å; F25-W54 HydrophobicContact CE1-CD2 3.64Å; F25-W54 AromaticContact CE1-CE2 3.62Å; F25-W54 HydrophobicContact CE1-CE3 4.27Å; F25-W54 AromaticContact CE1-CG 3.73Å; F25-W54 HydrophobicContact CE1-CG 3.73Å; F25-W54 HydrophobicContact CE1-CZ2 4.22Å; F25-W54 AromaticContact CE1-NE1 3.66Å; F25-W54 HydrophobicContact CZ-CD2 4.09Å; F25-W54 HydrophobicContact CZ-CE3 4.27Å; F25-W54 HydrophobicContact CZ-CZ2 4.4Å; P50-W54 HydrophobicContact CB-CD2 4.38Å; P50-W54 HydrophobicContact CB-CE3 3.63Å; P50-W54 HydrophobicContact CB-CZ3 4.13Å; P50-W54 HydrophobicContact CG-CE3 3.78Å; P50-W54 HydrophobicContact CG-CZ3 3.99Å; P51-W54 HydrophobicContact CB-CB 4.37Å; P51-W54 PolarHBondContact O-N 3.21Å; W54-P56 HydrophobicContact CH2-CB 3.64Å; W54-P56 HydrophobicContact CH2-CG 3.74Å; W54-P56 HydrophobicContact CZ2-CB 3.8Å; W54-P56 HydrophobicContact CZ2-CG 4.37Å; W54-P56 HydrophobicContact CZ3-CB 4.46Å; W54-P56 HydrophobicContact CZ3-CG 4.15Å; W54-Y142 HydrophobicContact CH2-CE1 4.12Å; W54-Y142 AromaticContact CZ2-CE1 3.92Å; W54-Y142 HydrophobicContact CZ2-CE1 3.92Å; W54-I146 HydrophobicContact CZ2-CG2 4.29Å; W54-E148 PolarHBondContact NE1-O 3.39Å; W54-Y200 HydrophobicContact CH2-CE2 4.2Å; W54-Y200 AromaticContact CZ3-CE2 3.75Å; W54-Y200 HydrophobicContact CZ3-CE2 3.75Å; W54-Y200 AromaticContact CZ3-CZ 3.9Å; W54-F268 HydrophobicContact CE3-CE2 4.48Å; W54-F268 AromaticContact CH2-CE2 3.7Å; W54-F268 HydrophobicContact CH2-CE2 3.7Å; W54-F268 AromaticContact CH2-CZ 3.45Å; W54-F268 HydrophobicContact CH2-CZ 3.45Å; W54-F268 VanDerWaalsContact CH2-CZ 3.45Å; W54-F268 HydrophobicContact CZ2-CZ 4.21Å; W54-F268 AromaticContact CZ3-CE2 3.64Å; W54-F268 HydrophobicContact CZ3-CE2 3.64Å; W54-F268 AromaticContact CZ3-CZ 3.9Å; W54-F268 HydrophobicContact CZ3-CZ 3.9Å | ||
| 55 | R | 92.3 | Very high | 94 | Very high | 173 Ų | 173 | 59.1 Ų | 59.1 | 65% | 0.653 | 30% | 0.297 | S | S | * | . | trans | -146.4 | 140 | 172 | -62.4 | -174.7 | 176.3 | -147.8 | -5.9 | 108.6 | R57 I146 | R55-R57 VanDerWaalsContact C-N 3.32Å; R55-I146 WeakPolarHBondContact O-CD1 3.33Å | ||
| 56 | P | 93.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -81.6 | -13 | 178.4 | 32.1 | -32 | 0 | 0 | 0 | 113 | W54 Y142 D143 Y200 | W54-P56 HydrophobicContact CH2-CB 3.64Å; W54-P56 HydrophobicContact CH2-CG 3.74Å; W54-P56 HydrophobicContact CZ2-CB 3.8Å; W54-P56 HydrophobicContact CZ2-CG 4.37Å; W54-P56 HydrophobicContact CZ3-CB 4.46Å; W54-P56 HydrophobicContact CZ3-CG 4.15Å; P56-Y142 HydrophobicContact CB-CD1 3.45Å; P56-Y142 VanDerWaalsContact CB-CD1 3.45Å; P56-Y142 HydrophobicContact CB-CD2 4.15Å; P56-Y142 HydrophobicContact CB-CE1 3.38Å; P56-Y142 HydrophobicContact CB-CE2 4.05Å; P56-Y142 HydrophobicContact CB-CG 3.83Å; P56-Y142 HydrophobicContact CG-CE1 4.48Å; P56-Y142 CarbonylContact O-C 3.48Å; P56-Y142 WeakPolarHBondContact O-CA 3.24Å; P56-D143 PolarHBondContact O-N 3.47Å; P56-Y200 WeakPolarHBondContact CD-OH 3.4Å; P56-Y200 HydrophobicContact CG-CD1 4.29Å; P56-Y200 HydrophobicContact CG-CE1 3.46Å; P56-Y200 VanDerWaalsContact CG-CE1 3.46Å |
| 57 | R | 93.8 | Very high | 93.8 | Very high | 34 Ų | 34 | 65.5 Ų | 65.5 | 13% | 0.128 | 33% | 0.334 | C | S | . | . | trans | -153.8 | 145.9 | 179.5 | 169.9 | 160.8 | -69.6 | -175.4 | 14 | 112.5 | R55 S59 Y60 D62 L141 Y142 D143 | R55-R57 VanDerWaalsContact C-N 3.32Å; R57-S59 WeakPolarHBondContact CD-O 3.43Å; R57-S59 WeakPolarHBondContact CG-O 3.47Å; R57-Y60 HydrophobicContact CB-CE1 3.97Å; R57-Y60 HydrophobicContact CG-CD1 4.24Å; R57-Y60 HydrophobicContact CG-CE1 4.04Å; R57-D62 IonicContact NH1-OD2 3.73Å; R57-D62 PolarHBondContact NH1-OD2 2.62Å; R57-L141 WeakPolarHBondContact CB-O 3.41Å; R57-L141 WeakPolarHBondContact CD-O 3.48Å; R57-L141 PolarHBondContact NE-O 3.1Å; R57-L141 VanDerWaalsContact NE-O 3.13Å; R57-Y142 PolarHBondContact NH2-O 2.78Å; R57-D143 WeakPolarHBondContact CA-OD2 2.92Å; R57-D143 WeakPolarHBondContact CG-OD1 3.43Å; R57-D143 IonicContact CZ-OD1 3.01Å; R57-D143 IonicContact NE-OD1 2.76Å; R57-D143 PolarHBondContact NE-OD1 2.86Å; R57-D143 IonicContact NH2-OD1 3.18Å; R57-D143 PolarHBondContact NH2-OD1 3.2Å | ||
| 58 | G | 88.8 | Confident | 93.7 | Very high | 66 Ų | 66 | 64.7 Ų | 64.7 | 68% | 0.68 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -71 | -42.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | D143 | G58-D143 PolarHBondContact N-OD2 3.07Š|
| 59 | S | 91.6 | Very high | 93.5 | Very high | 57 Ų | 57 | 67.7 Ų | 67.7 | 40% | 0.399 | 35% | 0.35 | S | S | . | . | trans | -151.7 | 154 | 179.1 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | R57 E61 | R57-S59 WeakPolarHBondContact CD-O 3.43Å; R57-S59 WeakPolarHBondContact CG-O 3.47Å; S59-E61 PolarHBondContact OG-N 3.11Å | ||
| 60 | Y | 94.1 | Very high | 93.3 | Very high | 53 Ų | 53 | 67.1 Ų | 67.1 | 21% | 0.208 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -115.8 | 25.9 | 178.4 | -61 | -69.5 | 0 | 0 | 0 | 112.7 | R57 I63 L141 H202 F203 | R57-Y60 HydrophobicContact CB-CE1 3.97Å; R57-Y60 HydrophobicContact CG-CD1 4.24Å; R57-Y60 HydrophobicContact CG-CE1 4.04Å; Y60-I63 WeakPolarHBondContact O-CG1 3.49Å; Y60-L141 HydrophobicContact CE1-CB 4.4Å; Y60-H202 HydrophobicContact CE1-CB 3.95Å; Y60-H202 AromaticContact CE1-ND1 3.56Å; Y60-H202 HydrophobicContact CE2-CB 4.49Å; Y60-H202 AromaticContact CZ-ND1 3.61Å; Y60-H202 PolarHBondContact OH-ND1 2.59Å; Y60-F203 AromaticContact CD1-CD1 3.84Å; Y60-F203 HydrophobicContact CD1-CD1 3.84Å; Y60-F203 HydrophobicContact CD1-CE1 4.02Å; Y60-F203 HydrophobicContact CD2-CB 4.28Å; Y60-F203 AromaticContact CD2-CD1 3.76Å; Y60-F203 HydrophobicContact CD2-CD1 3.76Å; Y60-F203 HydrophobicContact CD2-CG 4.39Å; Y60-F203 HydrophobicContact CE1-CD1 4.19Å; Y60-F203 HydrophobicContact CE2-CB 4.43Å; Y60-F203 HydrophobicContact CE2-CD1 4.11Å; Y60-F203 AromaticContact CG-CD1 3.61Å; Y60-F203 HydrophobicContact CG-CD1 3.61Å; Y60-F203 HydrophobicContact CG-CE1 4.06Å |
| 61 | E | 88.4 | Confident | 93.2 | Very high | 168 Ų | 168 | 66.4 Ų | 66.4 | 79% | 0.785 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -83.1 | -20.1 | 179.7 | -67.6 | -178.9 | 155.2 | 0 | 0 | 113.3 | S59 | S59-E61 PolarHBondContact OG-N 3.11Š|
| 62 | D | 90.2 | Very high | 93.2 | Very high | 105 Ų | 105 | 67 Ų | 67 | 56% | 0.561 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -77.9 | -30 | -178.1 | 66.6 | -42.1 | 0 | 0 | 0 | 113.7 | R57 D64 | R57-D62 IonicContact NH1-OD2 3.73Å; R57-D62 PolarHBondContact NH1-OD2 2.62Å; D62-D64 PolarHBondContact O-N 3.42Å |
| 63 | I | 94 | Very high | 93.5 | Very high | 6 Ų | 6 | 59.5 Ų | 59.5 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -66.2 | -8.4 | -173.6 | 73.4 | -177.1 | 0 | 0 | 0 | 114.5 | Y60 D65 L66 V95 L141 F203 | Y60-I63 WeakPolarHBondContact O-CG1 3.49Å; I63-D65 PolarHBondContact O-N 2.9Å; I63-L66 WeakPolarHBondContact O-CB 3.36Å; I63-L66 PolarHBondContact O-N 3.44Å; I63-V95 HydrophobicContact CG1-CG1 4.37Å; I63-V95 WeakPolarHBondContact O-CB 3.21Å; I63-L141 HydrophobicContact CG2-CD1 4.45Å; I63-L141 HydrophobicContact CG2-CD2 3.78Å; I63-F203 HydrophobicContact CD1-CD1 4.42Å; I63-F203 HydrophobicContact CD1-CE1 3.27Å; I63-F203 HydrophobicContact CD1-CE2 4.31Å; I63-F203 HydrophobicContact CD1-CZ 3.2Å |
| 64 | D | 92.7 | Very high | 93.8 | Very high | 20 Ų | 20 | 53 Ų | 53 | 11% | 0.107 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -56.7 | -37.7 | -171.6 | -122.7 | 49 | 0 | 0 | 0 | 112.7 | D62 V95 K96 R99 | D62-D64 PolarHBondContact O-N 3.42Å; D64-V95 PolarHBondContact O-N 2.89Å; D64-K96 HydrophobicContact CB-CB 4.25Å; D64-K96 WeakPolarHBondContact O-CB 3.25Å; D64-K96 PolarHBondContact O-N 3.39Å; D64-K96 WeakPolarHBondContact OD2-CB 3.19Å; D64-K96 VanDerWaalsContact OD2-CE 3.29Å; D64-K96 WeakPolarHBondContact OD2-CE 3.41Å; D64-K96 VanDerWaalsContact OD2-CG 3.25Å; D64-K96 WeakPolarHBondContact OD2-CG 3.21Å; D64-K96 IonicContact OD2-NZ 2.79Å; D64-K96 PolarHBondContact OD2-NZ 2.77Å; D64-R99 VanDerWaalsContact CG-NH2 3.26Å; D64-R99 IonicContact OD1-CZ 2.67Å; D64-R99 IonicContact OD1-NH1 3.27Å; D64-R99 PolarHBondContact OD1-NH1 3.35Å; D64-R99 IonicContact OD1-NH2 2.86Å; D64-R99 PolarHBondContact OD1-NH2 3.3Å; D64-R99 IonicContact OD2-NH2 3.79Å; D64-R99 PolarHBondContact OD2-NH2 2.87Å |
| 65 | D | 93.4 | Very high | 93.8 | Very high | 112 Ų | 112 | 53.6 Ų | 53.6 | 60% | 0.599 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -93.7 | 3.8 | -177.6 | -58.6 | -24.9 | 0 | 0 | 0 | 112.5 | I63 V67 K96 | I63-D65 PolarHBondContact O-N 2.9Å; D65-V67 PolarHBondContact O-N 3.49Å; D65-K96 IonicContact OD1-NZ 2.65Å; D65-K96 PolarHBondContact OD1-NZ 3.12Å |
| 66 | L | 94.9 | Very high | 93.9 | Very high | 50 Ų | 50 | 45.8 Ų | 45.8 | 26% | 0.262 | 26% | 0.262 | S | S | . | . | trans | -61.4 | 132.2 | 171.8 | -174.3 | 153.4 | 0 | 0 | 0 | 109.8 | I63 T94 V95 V137 L141 L177 F179 | I63-L66 WeakPolarHBondContact O-CB 3.36Å; I63-L66 PolarHBondContact O-N 3.44Å; L66-T94 CarbonylContact O-C 3.47Å; L66-T94 VanDerWaalsContact O-CA 3.31Å; L66-T94 WeakPolarHBondContact O-CA 3.25Å; L66-V95 HydrophobicContact CB-CG2 3.95Å; L66-V95 HydrophobicContact CD2-CG2 3.84Å; L66-V95 HydrophobicContact CG-CG2 4.47Å; L66-V95 PolarHBondContact O-N 3.02Å; L66-V137 HydrophobicContact CD2-CG1 4.43Å; L66-L141 HydrophobicContact CD1-CD2 4.22Å; L66-L177 HydrophobicContact CD1-CD1 4.17Å; L66-F179 HydrophobicContact CD2-CE2 3.92Å; L66-F179 HydrophobicContact CD2-CZ 3.98Å | ||
| 67 | V | 96.1 | Very high | 93.9 | Very high | 83 Ų | 83 | 49.1 Ų | 49.1 | 50% | 0.503 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 122.5 | -176.3 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | D65 P69 A92 | D65-V67 PolarHBondContact O-N 3.49Å; V67-P69 VanDerWaalsContact O-CD 3.31Å; V67-P69 WeakPolarHBondContact O-CD 3.48Å; V67-A92 HydrophobicContact CG1-CB 4.15Å |
| 68 | I | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 108.1 | 165.5 | -55.3 | 172.1 | 0 | 0 | 0 | 106.5 | P71 A92 M93 V95 F98 V137 F179 | I68-P71 HydrophobicContact CG2-CB 3.96Å; I68-P71 HydrophobicContact CG2-CG 4.36Å; I68-A92 VanDerWaalsContact O-CA 3.23Å; I68-A92 WeakPolarHBondContact O-CA 3.48Å; I68-A92 WeakPolarHBondContact O-CB 3.47Å; I68-M93 WeakPolarHBondContact CB-O 3.5Å; I68-M93 PolarHBondContact N-O 3.09Å; I68-M93 PolarHBondContact O-N 2.88Å; I68-M93 VanDerWaalsContact O-N 3.11Å; I68-V95 HydrophobicContact CD1-CG2 4.28Å; I68-V95 HydrophobicContact CG1-CG2 4.21Å; I68-F98 HydrophobicContact CD1-CB 3.76Å; I68-F98 HydrophobicContact CD1-CD1 4.46Å; I68-F98 HydrophobicContact CD1-CD2 3.87Å; I68-F98 HydrophobicContact CD1-CG 3.78Å; I68-V137 HydrophobicContact CG2-CG2 3.99Å; I68-F179 HydrophobicContact CD1-CB 3.95Å; I68-F179 HydrophobicContact CD1-CD2 3.86Å; I68-F179 HydrophobicContact CD1-CG 3.93Å; I68-F179 HydrophobicContact CG1-CD2 3.91Å; I68-F179 HydrophobicContact CG1-CE2 4.31Å; I68-F179 HydrophobicContact CG1-CG 4.47Å |
| 69 | P | 94.3 | Very high | 93.7 | Very high | 64 Ų | 64 | 50.4 Ų | 50.4 | 42% | 0.416 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -77.1 | -29.3 | -169.1 | 29.6 | -35.7 | 0 | 0 | 0 | 113.8 | V67 A92 | V67-P69 VanDerWaalsContact O-CD 3.31Å; V67-P69 WeakPolarHBondContact O-CD 3.48Å; P69-A92 WeakPolarHBondContact O-CB 3.13Å |
| 70 | A | 93.8 | Very high | 93.6 | Very high | 19 Ų | 19 | 52.3 Ų | 52.3 | 16% | 0.157 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -138.4 | 53.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I72 Q89 Y543 | A70-I72 PolarHBondContact O-N 3.25Å; A70-Q89 HydrophobicContact CB-CG 4.24Å; A70-Y543 HydrophobicContact CB-CE2 4.17Å |
| 71 | P | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -59.9 | 129.9 | -179.2 | 25.8 | -33 | 0 | 0 | 0 | 111.2 | I68 K90 R91 M93 | I68-P71 HydrophobicContact CG2-CB 3.96Å; I68-P71 HydrophobicContact CG2-CG 4.36Å; P71-K90 HydrophobicContact CG-CB 4.26Å; P71-K90 WeakPolarHBondContact O-CB 3.46Å; P71-K90 PolarHBondContact O-N 3.01Å; P71-R91 WeakPolarHBondContact CG-O 3.34Å; P71-M93 HydrophobicContact CG-CE 4.03Å; P71-M93 HydrophobicContact CG-CG 4.17Å; P71-M93 HydrophobicContact CG-SD 4.39Å | ||
| 72 | I | 96.4 | Very high | 93.6 | Very high | 25 Ų | 25 | 43.9 Ų | 43.9 | 13% | 0.128 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 129.3 | -174.2 | 48 | 162.5 | 0 | 0 | 0 | 112 | A70 Q74 N87 L132 Y133 A135 | A70-I72 PolarHBondContact O-N 3.25Å; I72-Q74 HydrophobicContact CD1-CG 4.47Å; I72-N87 HydrophobicContact CB-CB 4.16Å; I72-N87 HydrophobicContact CD1-CB 4.2Å; I72-N87 WeakPolarHBondContact CD1-ND2 3.48Å; I72-N87 HydrophobicContact CG2-CB 4.2Å; I72-L132 CarbonylContact O-C 3.56Å; I72-L132 WeakPolarHBondContact O-CA 3.38Å; I72-Y133 HydrophobicContact CD1-CD1 4.42Å; I72-Y133 VanDerWaalsContact CG1-O 3.27Å; I72-Y133 WeakPolarHBondContact CG1-O 3.23Å; I72-Y133 PolarHBondContact N-O 3.46Å; I72-Y133 PolarHBondContact O-N 2.65Å; I72-A135 HydrophobicContact CD1-CB 4.29Å |
| 73 | Q | 97.1 | Very high | 93.9 | Very high | 42 Ų | 42 | 39.5 Ų | 39.5 | 20% | 0.196 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 121.9 | 168.5 | -167.6 | 169.2 | 28.1 | 0 | 0 | 110.5 | V75 I88 K90 P130 P131 L132 | Q73-V75 PolarHBondContact O-N 3.47Å; Q73-I88 HydrophobicContact CB-CB 4.38Å; Q73-I88 PolarHBondContact N-O 2.94Å; Q73-I88 PolarHBondContact O-N 2.87Å; Q73-K90 VanDerWaalsContact CB-CE 3.42Å; Q73-K90 HydrophobicContact CB-CG 4.46Å; Q73-P130 HydrophobicContact CG-CB 3.82Å; Q73-P130 PolarHBondContact NE2-O 3.28Å; Q73-P131 CarbonylContact C-O 3.53Å; Q73-P131 WeakPolarHBondContact CA-O 3.26Å; Q73-L132 HydrophobicContact CB-CD2 3.64Å; Q73-L132 HydrophobicContact CG-CD2 3.98Å |
| 74 | Q | 96.7 | Very high | 93.9 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 2% | 0.023 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 94.4 | -174.2 | -63.7 | -174.9 | -34.5 | 0 | 0 | 110.8 | I72 Q85 P130 P131 T184 T185 | I72-Q74 HydrophobicContact CD1-CG 4.47Å; Q74-Q85 HydrophobicContact CB-CG 4.21Å; Q74-Q85 VanDerWaalsContact CD-NE2 3.33Å; Q74-P130 WeakPolarHBondContact O-CB 3.48Å; Q74-P131 HydrophobicContact CB-CG 4.45Å; Q74-P131 PolarHBondContact N-O 3.26Å; Q74-T184 VanDerWaalsContact OE1-CA 3.31Å; Q74-T185 PolarHBondContact NE2-O 3.44Å |
| 75 | V | 95.9 | Very high | 93.9 | Very high | 42 Ų | 42 | 39.6 Ų | 39.6 | 26% | 0.255 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 110.4 | 178.1 | -178 | 0 | 0 | 0 | 0 | 109.3 | Q73 Y86 I88 P130 | Q73-V75 PolarHBondContact O-N 3.47Å; V75-Y86 PolarHBondContact N-O 3Å; V75-Y86 PolarHBondContact O-N 3.18Å; V75-I88 HydrophobicContact CG2-CD1 3.68Å; V75-I88 HydrophobicContact CG2-CG1 4.24Å; V75-P130 HydrophobicContact CG2-CB 4.01Å; V75-P130 HydrophobicContact CG2-CG 4.14Å |
| 76 | V | 94.9 | Very high | 93.8 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 6% | 0.055 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 128.4 | -179.6 | -175.7 | 0 | 0 | 0 | 0 | 110.8 | F83 Q85 L126 T127 L245 | V76-F83 HydrophobicContact CG1-CB 3.46Å; V76-F83 VanDerWaalsContact CG1-CB 3.46Å; V76-F83 HydrophobicContact CG1-CD1 4.12Å; V76-F83 HydrophobicContact CG1-CG 4.01Å; V76-Q85 HydrophobicContact CG2-CB 4.14Å; V76-Q85 HydrophobicContact CG2-CG 4.09Å; V76-L126 HydrophobicContact CB-CG 4.15Å; V76-L126 HydrophobicContact CG1-CD2 3.98Å; V76-L126 HydrophobicContact CG1-CG 3.87Å; V76-L126 HydrophobicContact CG2-CD1 4.05Å; V76-L126 HydrophobicContact CG2-CG 4.2Å; V76-T127 HydrophobicContact CG1-CG2 4.4Å; V76-L245 HydrophobicContact CG1-CD1 3.94Å; V76-L245 HydrophobicContact CG2-CD1 4.08Å |
| 77 | T | 91.6 | Very high | 93.7 | Very high | 71 Ų | 71 | 41.1 Ų | 41.1 | 44% | 0.436 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 139.7 | 173.8 | 64.6 | 0 | 0 | 0 | 0 | 110.2 | F83 T84 | T77-F83 CarbonylContact O-C 3.49Å; T77-F83 VanDerWaalsContact O-CA 3.29Å; T77-F83 WeakPolarHBondContact O-CA 3.23Å; T77-F83 WeakPolarHBondContact O-CB 3.5Å; T77-T84 PolarHBondContact N-O 2.9Å; T77-T84 PolarHBondContact O-N 2.52Å |
| 78 | G | 91.1 | Very high | 93.5 | Very high | 42 Ų | 42 | 41 Ų | 41 | 43% | 0.433 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.7 | -165.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L82 F83 | G78-L82 WeakPolarHBondContact CA-O 3.44Å; G78-F83 VanDerWaalsContact C-CD1 3.48Å |
| 79 | Q | 88.8 | Confident | 93.4 | Very high | 85 Ų | 85 | 45.9 Ų | 45.9 | 40% | 0.397 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167 | 160.2 | -178.4 | 52.7 | 170.8 | -40.7 | 0 | 0 | 111.5 | G81 L82 R961 | Q79-G81 PolarHBondContact O-N 3.14Å; Q79-L82 PolarHBondContact N-O 3.16Å; Q79-L82 PolarHBondContact O-N 3.08Å; Q79-L82 VanDerWaalsContact O-O 3.04Å; Q79-R961 VanDerWaalsContact CD-CZ 3.46Å |
| 80 | S | 89 | Confident | 93.4 | Very high | 97 Ų | 97 | 46.3 Ų | 46.3 | 68% | 0.678 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 29.2 | 162 | -50.9 | 0 | 0 | 0 | 0 | 115.4 | I250 | S80-I250 WeakPolarHBondContact O-CD1 3.26Š|
| 81 | G | 87.9 | Confident | 93.5 | Very high | 8 Ų | 8 | 56.3 Ų | 56.3 | 8% | 0.082 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | 7.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q79 I246 S247 | Q79-G81 PolarHBondContact O-N 3.14Å; G81-I246 CarbonylContact O-C 3.25Å; G81-I246 WeakPolarHBondContact O-CA 3.47Å; G81-S247 VanDerWaalsContact CA-OG 3.32Å; G81-S247 WeakPolarHBondContact CA-OG 3.37Å; G81-S247 PolarHBondContact O-N 3.39Å |
| 82 | L | 94.9 | Very high | 93.5 | Very high | 37 Ų | 37 | 59.1 Ų | 59.1 | 19% | 0.194 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 120 | 175.3 | -67.6 | 169.7 | 0 | 0 | 0 | 109.7 | G78 Q79 F227 F228 I246 I250 | G78-L82 WeakPolarHBondContact CA-O 3.44Å; Q79-L82 PolarHBondContact N-O 3.16Å; Q79-L82 PolarHBondContact O-N 3.08Å; Q79-L82 VanDerWaalsContact O-O 3.04Å; L82-F227 HydrophobicContact CD1-CB 4.2Å; L82-F227 HydrophobicContact CD1-CD1 3.46Å; L82-F227 VanDerWaalsContact CD1-CD1 3.46Å; L82-F227 HydrophobicContact CD1-CD2 3.94Å; L82-F227 HydrophobicContact CD1-CE1 3.64Å; L82-F227 HydrophobicContact CD1-CE2 4.07Å; L82-F227 HydrophobicContact CD1-CG 3.62Å; L82-F227 HydrophobicContact CD1-CZ 3.93Å; L82-F227 HydrophobicContact CD2-CB 4.18Å; L82-F227 HydrophobicContact CD2-CD2 3.65Å; L82-F227 HydrophobicContact CD2-CE2 4.09Å; L82-F227 HydrophobicContact CD2-CG 3.93Å; L82-F227 HydrophobicContact CG-CD2 4.45Å; L82-F227 HydrophobicContact CG-CG 4.45Å; L82-F228 HydrophobicContact CB-CZ 4.32Å; L82-F228 HydrophobicContact CD2-CE2 4.01Å; L82-F228 HydrophobicContact CD2-CZ 4.16Å; L82-I246 HydrophobicContact CD2-CB 4.49Å; L82-I246 HydrophobicContact CD2-CG1 4.06Å; L82-I246 HydrophobicContact CD2-CG2 4.12Å; L82-I250 HydrophobicContact CD2-CG2 4.18Å; L82-I250 HydrophobicContact CG-CG1 4.42Å |
| 83 | F | 95.1 | Very high | 93.5 | Very high | 13 Ų | 13 | 59.2 Ų | 59.2 | 6% | 0.057 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 155.9 | -177.2 | -39.5 | -102.7 | 0 | 0 | 0 | 112.7 | V76 T77 G78 W123 L126 T127 L245 | V76-F83 HydrophobicContact CG1-CB 3.46Å; V76-F83 VanDerWaalsContact CG1-CB 3.46Å; V76-F83 HydrophobicContact CG1-CD1 4.12Å; V76-F83 HydrophobicContact CG1-CG 4.01Å; T77-F83 CarbonylContact O-C 3.49Å; T77-F83 VanDerWaalsContact O-CA 3.29Å; T77-F83 WeakPolarHBondContact O-CA 3.23Å; T77-F83 WeakPolarHBondContact O-CB 3.5Å; G78-F83 VanDerWaalsContact C-CD1 3.48Å; F83-W123 HydrophobicContact CD2-CZ3 4.18Å; F83-W123 AromaticContact CE2-CE3 3.88Å; F83-W123 HydrophobicContact CE2-CE3 3.88Å; F83-W123 AromaticContact CE2-CZ3 3.98Å; F83-W123 HydrophobicContact CE2-CZ3 3.98Å; F83-L126 HydrophobicContact CD1-CD2 4.38Å; F83-L126 HydrophobicContact CD2-CD2 3.83Å; F83-L126 HydrophobicContact CE2-CD2 3.96Å; F83-L126 HydrophobicContact CG-CD2 4.06Å; F83-L126 HydrophobicContact CZ-CD2 4.3Å; F83-T127 HydrophobicContact CD1-CG2 3.65Å; F83-T127 HydrophobicContact CE1-CG2 3.72Å; F83-L245 HydrophobicContact CB-CB 4.14Å; F83-L245 HydrophobicContact CB-CD1 4.49Å; F83-L245 HydrophobicContact CD2-CB 4.38Å; F83-L245 PolarHBondContact N-O 2.88Å; F83-L245 PolarHBondContact O-N 2.92Å |
| 84 | T | 94.6 | Very high | 93.5 | Very high | 24 Ų | 24 | 58.6 Ų | 58.6 | 15% | 0.147 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 127.6 | 169.7 | -51.9 | 0 | 0 | 0 | 0 | 109 | T77 Y86 M243 | T77-T84 PolarHBondContact N-O 2.9Å; T77-T84 PolarHBondContact O-N 2.52Å; T84-Y86 HydrophobicContact CG2-CD2 4.37Å; T84-Y86 HydrophobicContact CG2-CE1 4.42Å; T84-Y86 HydrophobicContact CG2-CE2 3.62Å; T84-M243 CarbonylContact C-O 3.57Å; T84-M243 WeakPolarHBondContact CA-O 3.31Å; T84-M243 HydrophobicContact CG2-CB 4.34Å; T84-M243 HydrophobicContact CG2-CE 4.28Å |
| 85 | Q | 93.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.019 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 142.1 | 174.4 | -177.7 | 177.5 | -53.3 | 0 | 0 | 110.8 | Q74 V76 N87 M243 L245 | Q74-Q85 HydrophobicContact CB-CG 4.21Å; Q74-Q85 VanDerWaalsContact CD-NE2 3.33Å; V76-Q85 HydrophobicContact CG2-CB 4.14Å; V76-Q85 HydrophobicContact CG2-CG 4.09Å; Q85-N87 PolarHBondContact NE2-OD1 3.16Å; Q85-M243 PolarHBondContact N-O 3.29Å; Q85-M243 WeakPolarHBondContact O-CB 3.12Å; Q85-M243 WeakPolarHBondContact O-CE 3.46Å; Q85-M243 WeakPolarHBondContact O-CG 3.38Å; Q85-L245 HydrophobicContact CB-CD1 4.28Å |
| 86 | Y | 91.6 | Very high | 93.5 | Very high | 112 Ų | 112 | 60.8 Ų | 60.8 | 44% | 0.439 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 132.7 | 173.3 | -59.8 | -96.8 | 0 | 0 | 0 | 108.6 | V75 T84 M243 | V75-Y86 PolarHBondContact N-O 3Å; V75-Y86 PolarHBondContact O-N 3.18Å; T84-Y86 HydrophobicContact CG2-CD2 4.37Å; T84-Y86 HydrophobicContact CG2-CE1 4.42Å; T84-Y86 HydrophobicContact CG2-CE2 3.62Å; Y86-M243 HydrophobicContact CD1-CE 3.53Å; Y86-M243 HydrophobicContact CE1-CE 3.67Å; Y86-M243 HydrophobicContact CG-CE 4.16Å |
| 87 | N | 93 | Very high | 93.6 | Very high | 82 Ų | 82 | 65.2 Ų | 65.2 | 44% | 0.439 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 124.9 | -177.1 | -63.4 | -12.3 | 0 | 0 | 0 | 109.6 | I72 Q85 | I72-N87 HydrophobicContact CB-CB 4.16Å; I72-N87 HydrophobicContact CD1-CB 4.2Å; I72-N87 WeakPolarHBondContact CD1-ND2 3.48Å; I72-N87 HydrophobicContact CG2-CB 4.2Å; Q85-N87 PolarHBondContact NE2-OD1 3.16Å |
| 88 | I | 92.1 | Very high | 93.9 | Very high | 81 Ų | 81 | 61.8 Ų | 61.8 | 42% | 0.415 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 105.3 | 175.3 | -56.1 | 179.4 | 0 | 0 | 0 | 108.5 | Q73 V75 | Q73-I88 HydrophobicContact CB-CB 4.38Å; Q73-I88 PolarHBondContact N-O 2.94Å; Q73-I88 PolarHBondContact O-N 2.87Å; V75-I88 HydrophobicContact CG2-CD1 3.68Å; V75-I88 HydrophobicContact CG2-CG1 4.24Å |
| 89 | Q | 93.6 | Very high | 94.2 | Very high | 101 Ų | 101 | 63.7 Ų | 63.7 | 47% | 0.472 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 139.7 | 176.9 | -172.6 | 176.1 | -0.4 | 0 | 0 | 111.3 | A70 Y543 | A70-Q89 HydrophobicContact CB-CG 4.24Å; Q89-Y543 PolarHBondContact NE2-OH 3.25Å |
| 90 | K | 94.9 | Very high | 94.6 | Very high | 74 Ų | 74 | 67.8 Ų | 67.8 | 32% | 0.322 | 33% | 0.326 | S | S | . | . | trans | -113.5 | 173.5 | 172.9 | -56.1 | -59 | 178.2 | 179.2 | 0 | 110 | P71 Q73 L132 | P71-K90 HydrophobicContact CG-CB 4.26Å; P71-K90 WeakPolarHBondContact O-CB 3.46Å; P71-K90 PolarHBondContact O-N 3.01Å; Q73-K90 VanDerWaalsContact CB-CE 3.42Å; Q73-K90 HydrophobicContact CB-CG 4.46Å; K90-L132 HydrophobicContact CG-CD2 3.81Å | ||
| 91 | R | 94.3 | Very high | 94.9 | Very high | 228 Ų | 228 | 65.5 Ų | 65.5 | 86% | 0.86 | 31% | 0.306 | S | S | * | . | trans | -61.9 | 148.7 | 172.6 | -63.3 | -178.3 | 179.8 | 179.9 | -0.7 | 109.9 | P71 | P71-R91 WeakPolarHBondContact CG-O 3.34Š| ||
| 92 | A | 96 | Very high | 95.4 | Very high | 59 Ų | 59 | 65.3 Ų | 65.3 | 49% | 0.488 | 30% | 0.304 | S | S | . | . | trans | -53.7 | 148.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V67 I68 P69 | V67-A92 HydrophobicContact CG1-CB 4.15Å; I68-A92 VanDerWaalsContact O-CA 3.23Å; I68-A92 WeakPolarHBondContact O-CA 3.48Å; I68-A92 WeakPolarHBondContact O-CB 3.47Å; P69-A92 WeakPolarHBondContact O-CB 3.13Å | ||
| 93 | M | 96.9 | Very high | 95.4 | Very high | 28 Ų | 28 | 68.2 Ų | 68.2 | 14% | 0.138 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 159.9 | 177.3 | 65.8 | -174.6 | 56 | 0 | 0 | 110.5 | I68 P71 E97 F98 I101 L132 | I68-M93 WeakPolarHBondContact CB-O 3.5Å; I68-M93 PolarHBondContact N-O 3.09Å; I68-M93 PolarHBondContact O-N 2.88Å; I68-M93 VanDerWaalsContact O-N 3.11Å; P71-M93 HydrophobicContact CG-CE 4.03Å; P71-M93 HydrophobicContact CG-CG 4.17Å; P71-M93 HydrophobicContact CG-SD 4.39Å; M93-E97 HydrophobicContact CB-CB 4.22Å; M93-F98 HydrophobicContact CG-CB 4.38Å; M93-F98 HydrophobicContact SD-CB 3.98Å; M93-F98 HydrophobicContact SD-CD2 3.93Å; M93-F98 HydrophobicContact SD-CG 4.45Å; M93-I101 HydrophobicContact CE-CD1 4.2Å; M93-I101 HydrophobicContact SD-CD1 4.05Å; M93-L132 HydrophobicContact CE-CD1 4.32Å |
| 94 | T | 97.6 | Very high | 95.4 | Very high | 29 Ų | 29 | 69.6 Ų | 69.6 | 18% | 0.178 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 158.3 | 173.4 | 56.3 | 0 | 0 | 0 | 0 | 112.3 | L66 K96 E97 F98 | L66-T94 CarbonylContact O-C 3.47Å; L66-T94 VanDerWaalsContact O-CA 3.31Å; L66-T94 WeakPolarHBondContact O-CA 3.25Å; T94-K96 PolarHBondContact O-N 2.75Å; T94-E97 PolarHBondContact N-OE2 3.18Å; T94-E97 PolarHBondContact O-N 3.1Å; T94-E97 WeakPolarHBondContact OG1-CB 3.49Å; T94-E97 VanDerWaalsContact OG1-CG 3.22Å; T94-E97 WeakPolarHBondContact OG1-CG 3.35Å; T94-E97 PolarHBondContact OG1-N 3.48Å; T94-E97 VanDerWaalsContact OG1-N 3.12Å; T94-E97 PolarHBondContact OG1-OE2 3.13Å; T94-F98 WeakPolarHBondContact O-CB 3.47Å; T94-F98 PolarHBondContact O-N 2.62Å |
| 95 | V | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.7 | -37.9 | 169.2 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | I63 D64 L66 I68 F98 R99 F179 F284 | I63-V95 HydrophobicContact CG1-CG1 4.37Å; I63-V95 WeakPolarHBondContact O-CB 3.21Å; D64-V95 PolarHBondContact O-N 2.89Å; L66-V95 HydrophobicContact CB-CG2 3.95Å; L66-V95 HydrophobicContact CD2-CG2 3.84Å; L66-V95 HydrophobicContact CG-CG2 4.47Å; L66-V95 PolarHBondContact O-N 3.02Å; I68-V95 HydrophobicContact CD1-CG2 4.28Å; I68-V95 HydrophobicContact CG1-CG2 4.21Å; V95-F98 PolarHBondContact O-N 3.3Å; V95-R99 VanDerWaalsContact O-CB 3.28Å; V95-R99 WeakPolarHBondContact O-CB 3.42Å; V95-R99 PolarHBondContact O-N 3.23Å; V95-F179 HydrophobicContact CB-CE1 4.36Å; V95-F179 HydrophobicContact CG1-CD1 4.07Å; V95-F179 HydrophobicContact CG1-CE1 3.86Å; V95-F179 HydrophobicContact CG2-CD1 3.94Å; V95-F179 HydrophobicContact CG2-CD2 4.43Å; V95-F179 HydrophobicContact CG2-CE1 3.46Å; V95-F179 VanDerWaalsContact CG2-CE1 3.46Å; V95-F179 HydrophobicContact CG2-CE2 4.02Å; V95-F179 HydrophobicContact CG2-CG 4.39Å; V95-F179 HydrophobicContact CG2-CZ 3.52Å; V95-F284 HydrophobicContact CG1-CZ 4.24Å |
| 96 | K | 96.4 | Very high | 95.2 | Very high | 93 Ų | 93 | 82.5 Ų | 82.5 | 40% | 0.404 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -55.6 | -48.9 | 173.1 | -178.2 | -169.1 | -106.6 | 80.8 | 0 | 112.3 | D64 D65 T94 K100 | D64-K96 HydrophobicContact CB-CB 4.25Å; D64-K96 WeakPolarHBondContact O-CB 3.25Å; D64-K96 PolarHBondContact O-N 3.39Å; D64-K96 WeakPolarHBondContact OD2-CB 3.19Å; D64-K96 VanDerWaalsContact OD2-CE 3.29Å; D64-K96 WeakPolarHBondContact OD2-CE 3.41Å; D64-K96 VanDerWaalsContact OD2-CG 3.25Å; D64-K96 WeakPolarHBondContact OD2-CG 3.21Å; D64-K96 IonicContact OD2-NZ 2.79Å; D64-K96 PolarHBondContact OD2-NZ 2.77Å; D65-K96 IonicContact OD1-NZ 2.65Å; D65-K96 PolarHBondContact OD1-NZ 3.12Å; T94-K96 PolarHBondContact O-N 2.75Å; K96-K100 WeakPolarHBondContact O-CB 3.45Å; K96-K100 PolarHBondContact O-N 2.85Å |
| 97 | E | 96.9 | Very high | 95.3 | Very high | 101 Ų | 101 | 78.3 Ų | 78.3 | 47% | 0.472 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.5 | -44 | 176.5 | -73.6 | 165.8 | 119.2 | 0 | 0 | 111.9 | M93 T94 R99 K100 I101 | M93-E97 HydrophobicContact CB-CB 4.22Å; T94-E97 PolarHBondContact N-OE2 3.18Å; T94-E97 PolarHBondContact O-N 3.1Å; T94-E97 WeakPolarHBondContact OG1-CB 3.49Å; T94-E97 VanDerWaalsContact OG1-CG 3.22Å; T94-E97 WeakPolarHBondContact OG1-CG 3.35Å; T94-E97 PolarHBondContact OG1-N 3.48Å; T94-E97 VanDerWaalsContact OG1-N 3.12Å; T94-E97 PolarHBondContact OG1-OE2 3.13Å; E97-R99 PolarHBondContact O-N 3.41Å; E97-K100 WeakPolarHBondContact O-CB 3.33Å; E97-K100 PolarHBondContact O-N 3.37Å; E97-I101 WeakPolarHBondContact O-CG1 3.35Å; E97-I101 PolarHBondContact O-N 2.93Å |
| 98 | F | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 177.5 | -175.1 | -83.5 | 0 | 0 | 0 | 111.6 | I68 M93 T94 V95 K100 I101 A102 L132 F179 G180 M181 F284 | I68-F98 HydrophobicContact CD1-CB 3.76Å; I68-F98 HydrophobicContact CD1-CD1 4.46Å; I68-F98 HydrophobicContact CD1-CD2 3.87Å; I68-F98 HydrophobicContact CD1-CG 3.78Å; M93-F98 HydrophobicContact CG-CB 4.38Å; M93-F98 HydrophobicContact SD-CB 3.98Å; M93-F98 HydrophobicContact SD-CD2 3.93Å; M93-F98 HydrophobicContact SD-CG 4.45Å; T94-F98 WeakPolarHBondContact O-CB 3.47Å; T94-F98 PolarHBondContact O-N 2.62Å; V95-F98 PolarHBondContact O-N 3.3Å; F98-K100 VanDerWaalsContact C-N 3.34Å; F98-K100 PolarHBondContact O-N 2.92Å; F98-I101 PolarHBondContact O-N 3.22Å; F98-I101 VanDerWaalsContact O-N 3.16Å; F98-A102 WeakPolarHBondContact O-CB 3.24Å; F98-A102 PolarHBondContact O-N 3.44Å; F98-L132 HydrophobicContact CE2-CB 4.04Å; F98-L132 WeakPolarHBondContact CE2-O 3.41Å; F98-L132 VanDerWaalsContact CZ-O 3.29Å; F98-L132 WeakPolarHBondContact CZ-O 3.33Å; F98-F179 HydrophobicContact CD1-CB 4.15Å; F98-F179 HydrophobicContact CE1-CB 3.93Å; F98-F179 WeakPolarHBondContact CE1-O 3.3Å; F98-F179 HydrophobicContact CZ-CB 4.32Å; F98-F179 WeakPolarHBondContact CZ-O 3.41Å; F98-G180 WeakPolarHBondContact CE1-O 3Å; F98-M181 HydrophobicContact CD2-CE 4.35Å; F98-M181 HydrophobicContact CE1-CB 4.43Å; F98-M181 HydrophobicContact CE1-CE 4.04Å; F98-M181 HydrophobicContact CE2-CE 3.83Å; F98-M181 HydrophobicContact CZ-CB 4.45Å; F98-M181 HydrophobicContact CZ-CE 3.65Å; F98-F284 HydrophobicContact CD1-CD2 4.14Å; F98-F284 AromaticContact CD1-CE2 3.97Å; F98-F284 HydrophobicContact CD1-CE2 3.97Å; F98-F284 HydrophobicContact CE1-CD2 4.24Å; F98-F284 HydrophobicContact CE1-CE2 4.38Å |
| 99 | R | 96.9 | Very high | 95.4 | Very high | 81 Ų | 81 | 74.7 Ų | 74.7 | 31% | 0.306 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 174.7 | -174.5 | 171.9 | 72.6 | -145.5 | -7.9 | 111.9 | D64 V95 E97 I101 A102 N103 F284 | D64-R99 VanDerWaalsContact CG-NH2 3.26Å; D64-R99 IonicContact OD1-CZ 2.67Å; D64-R99 IonicContact OD1-NH1 3.27Å; D64-R99 PolarHBondContact OD1-NH1 3.35Å; D64-R99 IonicContact OD1-NH2 2.86Å; D64-R99 PolarHBondContact OD1-NH2 3.3Å; D64-R99 IonicContact OD2-NH2 3.79Å; D64-R99 PolarHBondContact OD2-NH2 2.87Å; V95-R99 VanDerWaalsContact O-CB 3.28Å; V95-R99 WeakPolarHBondContact O-CB 3.42Å; V95-R99 PolarHBondContact O-N 3.23Å; E97-R99 PolarHBondContact O-N 3.41Å; R99-I101 VanDerWaalsContact C-N 3.31Å; R99-I101 PolarHBondContact O-N 2.89Å; R99-A102 PolarHBondContact O-N 3.13Å; R99-N103 WeakPolarHBondContact O-CB 3.22Å; R99-N103 PolarHBondContact O-N 2.93Å; R99-F284 HydrophobicContact CB-CD1 4.49Å; R99-F284 HydrophobicContact CB-CD2 4.09Å; R99-F284 HydrophobicContact CB-CE1 4.14Å; R99-F284 HydrophobicContact CB-CE2 3.71Å; R99-F284 HydrophobicContact CB-CG 4.47Å; R99-F284 HydrophobicContact CB-CZ 3.73Å; R99-F284 HydrophobicContact CG-CD1 3.75Å; R99-F284 HydrophobicContact CG-CD2 4.14Å; R99-F284 HydrophobicContact CG-CE1 3.62Å; R99-F284 HydrophobicContact CG-CE2 4.04Å; R99-F284 HydrophobicContact CG-CG 4.01Å; R99-F284 HydrophobicContact CG-CZ 3.77Å |
| 100 | K | 96.8 | Very high | 95.4 | Very high | 171 Ų | 171 | 71.8 Ų | 71.8 | 74% | 0.743 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.7 | -34.9 | 175.4 | -174.6 | 178.8 | 178.8 | -178.8 | 0 | 112.5 | K96 E97 F98 | K96-K100 WeakPolarHBondContact O-CB 3.45Å; K96-K100 PolarHBondContact O-N 2.85Å; E97-K100 WeakPolarHBondContact O-CB 3.33Å; E97-K100 PolarHBondContact O-N 3.37Å; F98-K100 VanDerWaalsContact C-N 3.34Å; F98-K100 PolarHBondContact O-N 2.92Å |
| 101 | I | 96.6 | Very high | 95.3 | Very high | 50 Ų | 50 | 75.7 Ų | 75.7 | 26% | 0.256 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -72.3 | -48.8 | 173.5 | -63.3 | 163.2 | 0 | 0 | 0 | 110.3 | M93 E97 F98 R99 N103 S104 F107 L132 M181 | M93-I101 HydrophobicContact CE-CD1 4.2Å; M93-I101 HydrophobicContact SD-CD1 4.05Å; E97-I101 WeakPolarHBondContact O-CG1 3.35Å; E97-I101 PolarHBondContact O-N 2.93Å; F98-I101 PolarHBondContact O-N 3.22Å; F98-I101 VanDerWaalsContact O-N 3.16Å; R99-I101 VanDerWaalsContact C-N 3.31Å; R99-I101 PolarHBondContact O-N 2.89Å; I101-N103 VanDerWaalsContact C-N 3.28Å; I101-N103 PolarHBondContact O-N 2.95Å; I101-S104 WeakPolarHBondContact O-CB 3.3Å; I101-S104 PolarHBondContact O-N 2.95Å; I101-S104 VanDerWaalsContact O-N 3.13Å; I101-S104 PolarHBondContact O-OG 2.84Å; I101-F107 HydrophobicContact CG2-CD2 3.66Å; I101-F107 HydrophobicContact CG2-CE2 3.9Å; I101-F107 HydrophobicContact CG2-CG 4.42Å; I101-L132 HydrophobicContact CD1-CD1 4.23Å; I101-L132 HydrophobicContact CG2-CD1 4.23Å; I101-M181 HydrophobicContact CB-CE 4.48Å; I101-M181 HydrophobicContact CG2-CE 4.06Å |
| 102 | A | 96.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 67.6 Ų | 67.6 | 3% | 0.025 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55.3 | -41.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F98 R99 F107 C108 M181 F284 | F98-A102 WeakPolarHBondContact O-CB 3.24Å; F98-A102 PolarHBondContact O-N 3.44Å; R99-A102 PolarHBondContact O-N 3.13Å; A102-F107 CarbonylContact O-C 3.41Å; A102-F107 VanDerWaalsContact O-C 3.25Å; A102-C108 VanDerWaalsContact O-CA 3.28Å; A102-C108 WeakPolarHBondContact O-CA 3.46Å; A102-C108 PolarHBondContact O-N 3.21Å; A102-C108 VanDerWaalsContact O-N 3.17Å; A102-M181 HydrophobicContact CB-CB 3.58Å; A102-M181 HydrophobicContact CB-CE 3.98Å; A102-F284 HydrophobicContact CB-CB 3.9Å; A102-F284 HydrophobicContact CB-CD2 4Å; A102-F284 HydrophobicContact CB-CG 4.33Å |
| 103 | N | 95.9 | Very high | 94.9 | Very high | 99 Ų | 99 | 71.2 Ų | 71.2 | 53% | 0.529 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 7.6 | -177.1 | -63.6 | -2.9 | 0 | 0 | 0 | 113.7 | R99 I101 F284 | R99-N103 WeakPolarHBondContact O-CB 3.22Å; R99-N103 PolarHBondContact O-N 2.93Å; I101-N103 VanDerWaalsContact C-N 3.28Å; I101-N103 PolarHBondContact O-N 2.95Å; N103-F284 WeakPolarHBondContact OD1-CB 3.09Å |
| 104 | S | 95.9 | Very high | 94.7 | Very high | 41 Ų | 41 | 73.1 Ų | 73.1 | 29% | 0.287 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -79.4 | 150.1 | 174.8 | 69.6 | 0 | 0 | 0 | 0 | 112 | I101 K106 F107 C108 | I101-S104 WeakPolarHBondContact O-CB 3.3Å; I101-S104 PolarHBondContact O-N 2.95Å; I101-S104 VanDerWaalsContact O-N 3.13Å; I101-S104 PolarHBondContact O-OG 2.84Å; S104-K106 PolarHBondContact O-N 2.65Å; S104-F107 PolarHBondContact O-N 2.75Å; S104-C108 WeakPolarHBondContact O-CB 3.22Å; S104-C108 PolarHBondContact O-N 3.46Å |
| 105 | D | 91.8 | Very high | 94.5 | Very high | 164 Ų | 164 | 75.5 Ų | 75.5 | 88% | 0.877 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | -20.8 | -179.7 | -51.2 | -21.2 | 0 | 0 | 0 | 115.3 | ||
| 106 | K | 91.5 | Very high | 94.3 | Very high | 136 Ų | 136 | 80 Ų | 80 | 59% | 0.591 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -35.4 | 177.2 | 179.7 | 173.1 | 176.2 | 178.9 | 0 | 113.3 | S104 N129 | S104-K106 PolarHBondContact O-N 2.65Å; K106-N129 WeakPolarHBondContact CE-OD1 3.18Å; K106-N129 PolarHBondContact O-ND2 3.01Å |
| 107 | F | 93.6 | Very high | 94.2 | Very high | 24 Ų | 24 | 77.8 Ų | 77.8 | 11% | 0.105 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121 | -6.7 | -171 | -66 | -73.6 | 0 | 0 | 0 | 114.1 | I101 A102 S104 N129 M181 W182 | I101-F107 HydrophobicContact CG2-CD2 3.66Å; I101-F107 HydrophobicContact CG2-CE2 3.9Å; I101-F107 HydrophobicContact CG2-CG 4.42Å; A102-F107 CarbonylContact O-C 3.41Å; A102-F107 VanDerWaalsContact O-C 3.25Å; S104-F107 PolarHBondContact O-N 2.75Å; F107-N129 VanDerWaalsContact CD1-ND2 3.26Å; F107-N129 WeakPolarHBondContact CD1-ND2 3.11Å; F107-N129 WeakPolarHBondContact CE1-ND2 3.21Å; F107-N129 WeakPolarHBondContact CE1-OD1 3.43Å; F107-M181 HydrophobicContact CB-SD 3.99Å; F107-M181 HydrophobicContact CD1-SD 4.04Å; F107-M181 HydrophobicContact CG-SD 4.09Å; F107-W182 WeakPolarHBondContact O-CB 3.48Å |
| 108 | C | 92.7 | Very high | 94.1 | Very high | 50 Ų | 50 | 73 Ų | 73 | 34% | 0.338 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -60.9 | 158.7 | 176.4 | 69.3 | 0 | 0 | 0 | 0 | 111.8 | A102 S104 W182 | A102-C108 VanDerWaalsContact O-CA 3.28Å; A102-C108 WeakPolarHBondContact O-CA 3.46Å; A102-C108 PolarHBondContact O-N 3.21Å; A102-C108 VanDerWaalsContact O-N 3.17Å; S104-C108 WeakPolarHBondContact O-CB 3.22Å; S104-C108 PolarHBondContact O-N 3.46Å; C108-W182 VanDerWaalsContact O-CD1 3.26Å |
| 109 | S | 92.9 | Very high | 94.1 | Very high | 36 Ų | 36 | 74.1 Ų | 74.1 | 25% | 0.252 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 132.2 | 171 | -49.3 | 0 | 0 | 0 | 0 | 109.9 | H282 G283 | S109-H282 WeakPolarHBondContact CB-O 3.48Å; S109-H282 PolarHBondContact OG-O 2.62Å; S109-G283 VanDerWaalsContact OG-CA 3.26Å; S109-G283 WeakPolarHBondContact OG-CA 3.35Å |
| 110 | P | 94.1 | Very high | 94 | Very high | 41 Ų | 41 | 76.1 Ų | 76.1 | 27% | 0.266 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 145.6 | 172.1 | 30.7 | -35 | 0 | 0 | 0 | 108.2 | Y112 L118 K121 W182 | P110-Y112 WeakPolarHBondContact O-CD1 3.26Å; P110-Y112 PolarHBondContact O-N 2.79Å; P110-L118 HydrophobicContact CG-CD1 4.04Å; P110-K121 HydrophobicContact CG-CD 4.17Å; P110-W182 VanDerWaalsContact CD-NE1 3.3Å; P110-W182 HydrophobicContact CG-CH2 4.42Å; P110-W182 HydrophobicContact CG-CZ2 3.7Å |
| 111 | H | 92.5 | Very high | 93.9 | Very high | 155 Ų | 155 | 70.1 Ų | 70.1 | 72% | 0.718 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 135.2 | 168.6 | 172.1 | 48.4 | 0 | 0 | 0 | 110.5 | K121 | H111-K121 PolarHBondContact O-NZ 2.79Š|
| 112 | Y | 93 | Very high | 94 | Very high | 59 Ų | 59 | 67.9 Ų | 67.9 | 23% | 0.231 | 34% | 0.338 | C | S | . | . | trans | -143.9 | 153.2 | 179.7 | 65.6 | -87.3 | 0 | 0 | 0 | 110.4 | P110 D114 F115 E117 L118 | P110-Y112 WeakPolarHBondContact O-CD1 3.26Å; P110-Y112 PolarHBondContact O-N 2.79Å; Y112-D114 WeakPolarHBondContact CD2-O 3.38Å; Y112-F115 AromaticContact CE2-CD1 3.89Å; Y112-F115 HydrophobicContact CE2-CD1 3.89Å; Y112-F115 HydrophobicContact CE2-CE1 4.18Å; Y112-E117 WeakPolarHBondContact CA-OE2 3.4Å; Y112-L118 HydrophobicContact CD1-CB 4.32Å; Y112-L118 HydrophobicContact CD1-CD1 3.7Å; Y112-L118 HydrophobicContact CD1-CD2 4.12Å; Y112-L118 HydrophobicContact CD1-CG 4.26Å; Y112-L118 HydrophobicContact CD2-CB 4.05Å; Y112-L118 HydrophobicContact CE1-CD1 4.19Å; Y112-L118 HydrophobicContact CE1-CD2 3.83Å; Y112-L118 HydrophobicContact CE1-CG 4.47Å; Y112-L118 HydrophobicContact CE2-CB 4.47Å; Y112-L118 HydrophobicContact CE2-CD2 4.35Å; Y112-L118 HydrophobicContact CG-CB 3.96Å; Y112-L118 HydrophobicContact CG-CD1 4.09Å; Y112-L118 HydrophobicContact CG-CG 4.41Å | ||
| 113 | D | 89.3 | Confident | 93.9 | Very high | 135 Ų | 135 | 69.6 Ų | 69.6 | 72% | 0.722 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -91.4 | -37.3 | 177 | -60 | -53.8 | 0 | 0 | 0 | 112.2 | E117 | D113-E117 PolarHBondContact N-OE2 2.96Š|
| 114 | D | 93.4 | Very high | 93.8 | Very high | 68 Ų | 68 | 72.8 Ų | 72.8 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -143.3 | 159.9 | -177.8 | 76.5 | 62.4 | 0 | 0 | 0 | 112.5 | Y112 E116 E117 L118 R120 | Y112-D114 WeakPolarHBondContact CD2-O 3.38Å; D114-E116 VanDerWaalsContact C-N 3.27Å; D114-E116 PolarHBondContact O-N 3.02Å; D114-E116 WeakPolarHBondContact OD1-CA 3.37Å; D114-E116 WeakPolarHBondContact OD1-CB 3.37Å; D114-E116 PolarHBondContact OD1-N 2.67Å; D114-E117 WeakPolarHBondContact O-CB 3.4Å; D114-E117 PolarHBondContact O-N 3.23Å; D114-E117 PolarHBondContact OD1-N 2.95Å; D114-L118 PolarHBondContact O-N 3.46Å; D114-R120 IonicContact OD1-NH2 3.83Å; D114-R120 PolarHBondContact OD1-NH2 3.09Å; D114-R120 IonicContact OD2-NH2 2.75Å; D114-R120 PolarHBondContact OD2-NH2 2.69Å |
| 115 | F | 92 | Very high | 93.6 | Very high | 78 Ų | 78 | 73.6 Ų | 73.6 | 34% | 0.342 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.1 | -26 | -178.9 | -67.3 | -41.1 | 0 | 0 | 0 | 114.1 | Y112 E119 P206 T262 H282 | Y112-F115 AromaticContact CE2-CD1 3.89Å; Y112-F115 HydrophobicContact CE2-CD1 3.89Å; Y112-F115 HydrophobicContact CE2-CE1 4.18Å; F115-E119 WeakPolarHBondContact O-CB 3.45Å; F115-E119 PolarHBondContact O-N 2.85Å; F115-P206 HydrophobicContact CE1-CG 4.31Å; F115-P206 HydrophobicContact CZ-CG 4.37Å; F115-T262 HydrophobicContact CE2-CG2 4.31Å; F115-T262 HydrophobicContact CZ-CG2 4.32Å; F115-H282 AromaticContact CD1-CE1 3.47Å; F115-H282 VanDerWaalsContact CD1-CE1 3.47Å; F115-H282 WeakPolarHBondContact CD1-CE1 3.5Å; F115-H282 AromaticContact CD1-ND1 3.8Å; F115-H282 AromaticContact CE1-CE1 3.7Å; F115-H282 AromaticContact CE1-ND1 3.74Å |
| 116 | E | 92.6 | Very high | 93.6 | Very high | 95 Ų | 95 | 66 Ų | 66 | 44% | 0.444 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -73.1 | -31.5 | 172.5 | -53 | -148.7 | 128.9 | 0 | 0 | 111.8 | D114 E119 R120 K260 | D114-E116 VanDerWaalsContact C-N 3.27Å; D114-E116 PolarHBondContact O-N 3.02Å; D114-E116 WeakPolarHBondContact OD1-CA 3.37Å; D114-E116 WeakPolarHBondContact OD1-CB 3.37Å; D114-E116 PolarHBondContact OD1-N 2.67Å; E116-E119 WeakPolarHBondContact O-CB 3.38Å; E116-E119 PolarHBondContact O-N 2.89Å; E116-R120 VanDerWaalsContact C-CZ 3.47Å; E116-R120 WeakPolarHBondContact O-CB 3.25Å; E116-R120 WeakPolarHBondContact O-CG 3.34Å; E116-R120 PolarHBondContact O-N 2.83Å; E116-R120 PolarHBondContact O-NE 3.48Å; E116-R120 IonicContact OE2-NH1 2.99Å; E116-R120 PolarHBondContact OE2-NH1 3.46Å; E116-K260 IonicContact OE1-NZ 3.15Å; E116-K260 PolarHBondContact OE1-NZ 3.34Å |
| 117 | E | 94.8 | Very high | 93.6 | Very high | 46 Ų | 46 | 62 Ų | 62 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.9 | -37.6 | 175.7 | -144.1 | -104.4 | 142.5 | 0 | 0 | 110.5 | Y112 D113 D114 R120 K121 | Y112-E117 WeakPolarHBondContact CA-OE2 3.4Å; D113-E117 PolarHBondContact N-OE2 2.96Å; D114-E117 WeakPolarHBondContact O-CB 3.4Å; D114-E117 PolarHBondContact O-N 3.23Å; D114-E117 PolarHBondContact OD1-N 2.95Å; E117-R120 VanDerWaalsContact CA-NH2 3.33Å; E117-R120 VanDerWaalsContact CB-NH2 3.33Å; E117-R120 VanDerWaalsContact N-NH2 3.2Å; E117-R120 PolarHBondContact O-N 3.24Å; E117-K121 WeakPolarHBondContact O-CB 3.47Å; E117-K121 WeakPolarHBondContact O-CD 3.47Å; E117-K121 VanDerWaalsContact O-CG 3.27Å; E117-K121 WeakPolarHBondContact O-CG 3.34Å; E117-K121 PolarHBondContact O-N 3.24Å; E117-K121 WeakPolarHBondContact OE1-CE 3.22Å; E117-K121 IonicContact OE1-NZ 2.78Å; E117-K121 PolarHBondContact OE1-NZ 3.22Å; E117-K121 WeakPolarHBondContact OE2-CE 3.44Å; E117-K121 IonicContact OE2-NZ 3.85Å; E117-K121 PolarHBondContact OE2-NZ 2.89Å |
| 118 | L | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 167.9 | -166.7 | 65.8 | 0 | 0 | 0 | 112.5 | P110 Y112 D114 R120 K121 Y122 W182 H282 | P110-L118 HydrophobicContact CG-CD1 4.04Å; Y112-L118 HydrophobicContact CD1-CB 4.32Å; Y112-L118 HydrophobicContact CD1-CD1 3.7Å; Y112-L118 HydrophobicContact CD1-CD2 4.12Å; Y112-L118 HydrophobicContact CD1-CG 4.26Å; Y112-L118 HydrophobicContact CD2-CB 4.05Å; Y112-L118 HydrophobicContact CE1-CD1 4.19Å; Y112-L118 HydrophobicContact CE1-CD2 3.83Å; Y112-L118 HydrophobicContact CE1-CG 4.47Å; Y112-L118 HydrophobicContact CE2-CB 4.47Å; Y112-L118 HydrophobicContact CE2-CD2 4.35Å; Y112-L118 HydrophobicContact CG-CB 3.96Å; Y112-L118 HydrophobicContact CG-CD1 4.09Å; Y112-L118 HydrophobicContact CG-CG 4.41Å; D114-L118 PolarHBondContact O-N 3.46Å; L118-R120 PolarHBondContact O-N 3.29Å; L118-K121 CarbonylContact O-C 3.53Å; L118-K121 WeakPolarHBondContact O-CB 3.43Å; L118-K121 PolarHBondContact O-N 3.07Å; L118-Y122 WeakPolarHBondContact O-CB 3.45Å; L118-Y122 PolarHBondContact O-N 2.75Å; L118-W182 HydrophobicContact CD1-CE3 4.16Å; L118-W182 HydrophobicContact CD1-CH2 3.37Å; L118-W182 HydrophobicContact CD1-CZ2 4.08Å; L118-W182 HydrophobicContact CD1-CZ3 3.42Å; L118-W182 VanDerWaalsContact CD1-CZ3 3.42Å; L118-W182 HydrophobicContact CD2-CZ3 4.12Å; L118-W182 HydrophobicContact CG-CH2 3.83Å; L118-W182 HydrophobicContact CG-CZ3 3.62Å; L118-H282 HydrophobicContact CD2-CB 3.84Å; L118-H282 VanDerWaalsContact CD2-CG 3.48Å; L118-H282 WeakPolarHBondContact CD2-ND1 3.37Å |
| 119 | E | 96.6 | Very high | 93.3 | Very high | 25 Ų | 25 | 67.8 Ų | 67.8 | 12% | 0.117 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.3 | -45 | 172.1 | 168.3 | 174.5 | -139.2 | 0 | 0 | 111.8 | F115 E116 K121 Y122 W123 Y210 K260 F280 | F115-E119 WeakPolarHBondContact O-CB 3.45Å; F115-E119 PolarHBondContact O-N 2.85Å; E116-E119 WeakPolarHBondContact O-CB 3.38Å; E116-E119 PolarHBondContact O-N 2.89Å; E119-K121 VanDerWaalsContact C-N 3.34Å; E119-K121 PolarHBondContact O-N 3.45Å; E119-Y122 PolarHBondContact O-N 3.44Å; E119-W123 PolarHBondContact O-N 3.06Å; E119-Y210 WeakPolarHBondContact CG-OH 3.46Å; E119-Y210 VanDerWaalsContact OE1-CE1 3.22Å; E119-Y210 WeakPolarHBondContact OE1-CE1 3.24Å; E119-Y210 PolarHBondContact OE1-OH 3.49Å; E119-K260 IonicContact OE2-NZ 2.67Å; E119-K260 PolarHBondContact OE2-NZ 2.9Å; E119-F280 HydrophobicContact CB-CZ 4.4Å |
| 120 | R | 94.7 | Very high | 93.4 | Very high | 123 Ų | 123 | 67.7 Ų | 67.7 | 46% | 0.464 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 174.2 | -74.4 | 178.3 | -66.5 | -99.9 | 6.1 | 110.8 | D114 E116 E117 L118 K124 | D114-R120 IonicContact OD1-NH2 3.83Å; D114-R120 PolarHBondContact OD1-NH2 3.09Å; D114-R120 IonicContact OD2-NH2 2.75Å; D114-R120 PolarHBondContact OD2-NH2 2.69Å; E116-R120 VanDerWaalsContact C-CZ 3.47Å; E116-R120 WeakPolarHBondContact O-CB 3.25Å; E116-R120 WeakPolarHBondContact O-CG 3.34Å; E116-R120 PolarHBondContact O-N 2.83Å; E116-R120 PolarHBondContact O-NE 3.48Å; E116-R120 IonicContact OE2-NH1 2.99Å; E116-R120 PolarHBondContact OE2-NH1 3.46Å; E117-R120 VanDerWaalsContact CA-NH2 3.33Å; E117-R120 VanDerWaalsContact CB-NH2 3.33Å; E117-R120 VanDerWaalsContact N-NH2 3.2Å; E117-R120 PolarHBondContact O-N 3.24Å; L118-R120 PolarHBondContact O-N 3.29Å; R120-K124 WeakPolarHBondContact O-CB 3.41Å; R120-K124 PolarHBondContact O-N 2.98Å; R120-K124 VanDerWaalsContact O-N 3.17Å |
| 121 | K | 95.9 | Very high | 93.5 | Very high | 44 Ų | 44 | 65.9 Ų | 65.9 | 19% | 0.191 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.9 | -41.2 | 175.9 | -78 | 164.1 | 173.5 | 163.4 | 0 | 112.4 | P110 H111 E117 L118 E119 N125 W182 | P110-K121 HydrophobicContact CG-CD 4.17Å; H111-K121 PolarHBondContact O-NZ 2.79Å; E117-K121 WeakPolarHBondContact O-CB 3.47Å; E117-K121 WeakPolarHBondContact O-CD 3.47Å; E117-K121 VanDerWaalsContact O-CG 3.27Å; E117-K121 WeakPolarHBondContact O-CG 3.34Å; E117-K121 PolarHBondContact O-N 3.24Å; E117-K121 WeakPolarHBondContact OE1-CE 3.22Å; E117-K121 IonicContact OE1-NZ 2.78Å; E117-K121 PolarHBondContact OE1-NZ 3.22Å; E117-K121 WeakPolarHBondContact OE2-CE 3.44Å; E117-K121 IonicContact OE2-NZ 3.85Å; E117-K121 PolarHBondContact OE2-NZ 2.89Å; L118-K121 CarbonylContact O-C 3.53Å; L118-K121 WeakPolarHBondContact O-CB 3.43Å; L118-K121 PolarHBondContact O-N 3.07Å; E119-K121 VanDerWaalsContact C-N 3.34Å; E119-K121 PolarHBondContact O-N 3.45Å; K121-N125 VanDerWaalsContact O-CB 3.24Å; K121-N125 WeakPolarHBondContact O-CB 3.27Å; K121-N125 VanDerWaalsContact O-CG 3.3Å; K121-N125 PolarHBondContact O-N 3.13Å; K121-N125 PolarHBondContact O-ND2 3.32Å; K121-W182 HydrophobicContact CB-CH2 4.41Å; K121-W182 HydrophobicContact CB-CZ2 4.4Å |
| 122 | Y | 97.2 | Very high | 93.8 | Very high | 3 Ų | 3 | 59.3 Ų | 59.3 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.1 | -60.5 | 176.4 | 166.6 | -100.7 | 0 | 0 | 0 | 110.9 | L118 E119 K124 N125 L126 K183 T185 F280 | L118-Y122 WeakPolarHBondContact O-CB 3.45Å; L118-Y122 PolarHBondContact O-N 2.75Å; E119-Y122 PolarHBondContact O-N 3.44Å; Y122-K124 VanDerWaalsContact C-N 3.25Å; Y122-K124 PolarHBondContact O-N 3.12Å; Y122-N125 PolarHBondContact O-N 3.12Å; Y122-N125 VanDerWaalsContact O-N 3.15Å; Y122-L126 HydrophobicContact CD2-CD1 4.48Å; Y122-L126 HydrophobicContact CE2-CD1 3.65Å; Y122-L126 WeakPolarHBondContact O-CB 3.43Å; Y122-L126 PolarHBondContact O-N 2.75Å; Y122-K183 HydrophobicContact CD2-CB 4.22Å; Y122-K183 HydrophobicContact CD2-CG 3.97Å; Y122-K183 HydrophobicContact CE2-CB 4.38Å; Y122-T185 VanDerWaalsContact OH-CG2 3.26Å; Y122-T185 WeakPolarHBondContact OH-CG2 3.35Å; Y122-T185 PolarHBondContact OH-OG1 2.78Å; Y122-T185 VanDerWaalsContact OH-OG1 3.09Å; Y122-F280 AromaticContact CD1-CD1 3.53Å; Y122-F280 HydrophobicContact CD1-CD1 3.53Å; Y122-F280 AromaticContact CD1-CE1 3.7Å; Y122-F280 HydrophobicContact CD1-CE1 3.7Å; Y122-F280 AromaticContact CD1-CG 3.99Å; Y122-F280 HydrophobicContact CD1-CG 3.99Å; Y122-F280 HydrophobicContact CD1-CZ 4.29Å; Y122-F280 HydrophobicContact CD2-CB 3.81Å; Y122-F280 HydrophobicContact CD2-CD1 4.05Å; Y122-F280 AromaticContact CD2-CD2 3.82Å; Y122-F280 HydrophobicContact CD2-CD2 3.82Å; Y122-F280 HydrophobicContact CD2-CE2 4.43Å; Y122-F280 AromaticContact CD2-CG 3.61Å; Y122-F280 HydrophobicContact CD2-CG 3.61Å; Y122-F280 HydrophobicContact CE1-CB 4.32Å; Y122-F280 AromaticContact CE1-CD1 3.6Å; Y122-F280 HydrophobicContact CE1-CD1 3.6Å; Y122-F280 HydrophobicContact CE1-CE1 4.18Å; Y122-F280 HydrophobicContact CE1-CG 4.08Å; Y122-F280 HydrophobicContact CE2-CB 3.43Å; Y122-F280 VanDerWaalsContact CE2-CB 3.43Å; Y122-F280 HydrophobicContact CE2-CD1 4.12Å; Y122-F280 HydrophobicContact CE2-CD2 4.35Å; Y122-F280 AromaticContact CE2-CG 3.72Å; Y122-F280 HydrophobicContact CE2-CG 3.72Å; Y122-F280 HydrophobicContact CG-CB 4.42Å; Y122-F280 AromaticContact CG-CD1 3.78Å; Y122-F280 HydrophobicContact CG-CD1 3.78Å; Y122-F280 AromaticContact CG-CD2 3.95Å; Y122-F280 HydrophobicContact CG-CD2 3.95Å; Y122-F280 AromaticContact CG-CE1 3.98Å; Y122-F280 HydrophobicContact CG-CE1 3.98Å; Y122-F280 HydrophobicContact CG-CE2 4.14Å; Y122-F280 AromaticContact CG-CG 3.78Å; Y122-F280 HydrophobicContact CG-CG 3.78Å; Y122-F280 HydrophobicContact CG-CZ 4.16Å; Y122-F280 AromaticContact CZ-CD1 3.92Å; Y122-F280 AromaticContact CZ-CG 3.96Å |
| 123 | W | 96.1 | Very high | 94 | Very high | 40 Ų | 40 | 57.2 Ų | 57.2 | 15% | 0.152 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.1 | -26.2 | -176.7 | -73.8 | 111.9 | 0 | 0 | 0 | 114 | F83 E119 L126 Y210 P248 | F83-W123 HydrophobicContact CD2-CZ3 4.18Å; F83-W123 AromaticContact CE2-CE3 3.88Å; F83-W123 HydrophobicContact CE2-CE3 3.88Å; F83-W123 AromaticContact CE2-CZ3 3.98Å; F83-W123 HydrophobicContact CE2-CZ3 3.98Å; E119-W123 PolarHBondContact O-N 3.06Å; W123-L126 HydrophobicContact CE3-CD2 4.12Å; W123-L126 HydrophobicContact CZ3-CD2 4.07Å; W123-Y210 AromaticContact CZ2-CE2 3.8Å; W123-Y210 HydrophobicContact CZ2-CE2 3.8Å; W123-Y210 AromaticContact NE1-CZ 3.72Å; W123-Y210 PolarHBondContact NE1-OH 2.91Å; W123-P248 VanDerWaalsContact CE2-CD 3.47Å |
| 124 | K | 93.3 | Very high | 94.3 | Very high | 165 Ų | 165 | 50.8 Ų | 50.8 | 72% | 0.717 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -74.9 | -38.5 | 174.6 | -177.3 | -178.8 | 177.2 | -178.6 | 0 | 112.9 | R120 Y122 | R120-K124 WeakPolarHBondContact O-CB 3.41Å; R120-K124 PolarHBondContact O-N 2.98Å; R120-K124 VanDerWaalsContact O-N 3.17Å; Y122-K124 VanDerWaalsContact C-N 3.25Å; Y122-K124 PolarHBondContact O-N 3.12Å |
| 125 | N | 92.3 | Very high | 94.3 | Very high | 58 Ų | 58 | 48 Ų | 48 | 31% | 0.31 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -106 | -0.9 | -168.7 | -60.7 | -28.2 | 0 | 0 | 0 | 114.1 | K121 Y122 T127 F128 K183 | K121-N125 VanDerWaalsContact O-CB 3.24Å; K121-N125 WeakPolarHBondContact O-CB 3.27Å; K121-N125 VanDerWaalsContact O-CG 3.3Å; K121-N125 PolarHBondContact O-N 3.13Å; K121-N125 PolarHBondContact O-ND2 3.32Å; Y122-N125 PolarHBondContact O-N 3.12Å; Y122-N125 VanDerWaalsContact O-N 3.15Å; N125-T127 VanDerWaalsContact C-N 3.33Å; N125-T127 PolarHBondContact O-N 3.27Å; N125-F128 PolarHBondContact O-N 3.15Å; N125-K183 VanDerWaalsContact O-CE 3.32Å; N125-K183 WeakPolarHBondContact O-CE 3.46Å |
| 126 | L | 90.8 | Very high | 94.2 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.5 | -47.2 | -173.5 | -176.3 | 57.1 | 0 | 0 | 0 | 114.9 | V76 F83 Y122 W123 F128 L245 | V76-L126 HydrophobicContact CB-CG 4.15Å; V76-L126 HydrophobicContact CG1-CD2 3.98Å; V76-L126 HydrophobicContact CG1-CG 3.87Å; V76-L126 HydrophobicContact CG2-CD1 4.05Å; V76-L126 HydrophobicContact CG2-CG 4.2Å; F83-L126 HydrophobicContact CD1-CD2 4.38Å; F83-L126 HydrophobicContact CD2-CD2 3.83Å; F83-L126 HydrophobicContact CE2-CD2 3.96Å; F83-L126 HydrophobicContact CG-CD2 4.06Å; F83-L126 HydrophobicContact CZ-CD2 4.3Å; Y122-L126 HydrophobicContact CD2-CD1 4.48Å; Y122-L126 HydrophobicContact CE2-CD1 3.65Å; Y122-L126 WeakPolarHBondContact O-CB 3.43Å; Y122-L126 PolarHBondContact O-N 2.75Å; W123-L126 HydrophobicContact CE3-CD2 4.12Å; W123-L126 HydrophobicContact CZ3-CD2 4.07Å; L126-F128 VanDerWaalsContact C-N 3.32Å; L126-F128 PolarHBondContact O-N 3.37Å; L126-L245 HydrophobicContact CD2-CD1 3.92Å |
| 127 | T | 91.9 | Very high | 94.2 | Very high | 52 Ų | 52 | 44.5 Ų | 44.5 | 32% | 0.319 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -9.5 | -176.5 | 55.9 | 0 | 0 | 0 | 0 | 114.8 | V76 F83 N125 | V76-T127 HydrophobicContact CG1-CG2 4.4Å; F83-T127 HydrophobicContact CD1-CG2 3.65Å; F83-T127 HydrophobicContact CE1-CG2 3.72Å; N125-T127 VanDerWaalsContact C-N 3.33Å; N125-T127 PolarHBondContact O-N 3.27Å |
| 128 | F | 89.5 | Confident | 94 | Very high | 140 Ų | 140 | 46.2 Ų | 46.2 | 61% | 0.614 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -95.3 | 154.1 | 176.5 | -58.5 | -86.2 | 0 | 0 | 0 | 110.1 | N125 L126 K183 | N125-F128 PolarHBondContact O-N 3.15Å; L126-F128 VanDerWaalsContact C-N 3.32Å; L126-F128 PolarHBondContact O-N 3.37Å; F128-K183 PolarHBondContact O-NZ 2.92Å |
| 129 | N | 90.6 | Very high | 93.7 | Very high | 57 Ų | 57 | 47.6 Ų | 47.6 | 31% | 0.305 | 24% | 0.237 | S | C | . | . | S | Bend | trans | 37.9 | 80.7 | 178.8 | -167.5 | 42.2 | 0 | 0 | 0 | 114.7 | K106 F107 P131 K183 | K106-N129 WeakPolarHBondContact CE-OD1 3.18Å; K106-N129 PolarHBondContact O-ND2 3.01Å; F107-N129 VanDerWaalsContact CD1-ND2 3.26Å; F107-N129 WeakPolarHBondContact CD1-ND2 3.11Å; F107-N129 WeakPolarHBondContact CE1-ND2 3.21Å; F107-N129 WeakPolarHBondContact CE1-OD1 3.43Å; N129-P131 WeakPolarHBondContact O-CD 3.24Å; N129-K183 PolarHBondContact O-NZ 2.78Å |
| 130 | P | 95.1 | Very high | 93.6 | Very high | 33 Ų | 33 | 48 Ų | 48 | 21% | 0.214 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -58.7 | 117.8 | -178.5 | -28.1 | 38.1 | 0 | 0 | 0 | 112.9 | Q73 Q74 V75 | Q73-P130 HydrophobicContact CG-CB 3.82Å; Q73-P130 PolarHBondContact NE2-O 3.28Å; Q74-P130 WeakPolarHBondContact O-CB 3.48Å; V75-P130 HydrophobicContact CG2-CB 4.01Å; V75-P130 HydrophobicContact CG2-CG 4.14Å |
| 131 | P | 96.9 | Very high | 93.6 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -76.1 | 166 | -177.4 | 33.6 | -36.1 | 0 | 0 | 0 | 112.2 | Q73 Q74 N129 M181 K183 T184 | Q73-P131 CarbonylContact C-O 3.53Å; Q73-P131 WeakPolarHBondContact CA-O 3.26Å; Q74-P131 HydrophobicContact CB-CG 4.45Å; Q74-P131 PolarHBondContact N-O 3.26Å; N129-P131 WeakPolarHBondContact O-CD 3.24Å; P131-M181 HydrophobicContact CB-CG 4.01Å; P131-M181 HydrophobicContact CB-SD 4.1Å; P131-K183 HydrophobicContact CG-CB 4.22Å; P131-T184 HydrophobicContact CB-CG2 3.91Å; P131-T184 HydrophobicContact CG-CG2 4.15Å |
| 132 | L | 96.9 | Very high | 93.5 | Very high | 17 Ų | 17 | 40.9 Ų | 40.9 | 9% | 0.089 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 135.9 | 171.7 | -61.2 | 174.2 | 0 | 0 | 0 | 109.8 | I72 Q73 K90 M93 F98 I101 M181 T184 | I72-L132 CarbonylContact O-C 3.56Å; I72-L132 WeakPolarHBondContact O-CA 3.38Å; Q73-L132 HydrophobicContact CB-CD2 3.64Å; Q73-L132 HydrophobicContact CG-CD2 3.98Å; K90-L132 HydrophobicContact CG-CD2 3.81Å; M93-L132 HydrophobicContact CE-CD1 4.32Å; F98-L132 HydrophobicContact CE2-CB 4.04Å; F98-L132 WeakPolarHBondContact CE2-O 3.41Å; F98-L132 VanDerWaalsContact CZ-O 3.29Å; F98-L132 WeakPolarHBondContact CZ-O 3.33Å; I101-L132 HydrophobicContact CD1-CD1 4.23Å; I101-L132 HydrophobicContact CG2-CD1 4.23Å; L132-M181 HydrophobicContact CB-CE 3.79Å; L132-M181 HydrophobicContact CB-SD 4.28Å; L132-M181 WeakPolarHBondContact O-CE 3.15Å; L132-M181 VanDerWaalsContact O-CG 3.28Å; L132-M181 WeakPolarHBondContact O-CG 3.19Å; L132-T184 WeakPolarHBondContact O-CG2 3.43Å |
| 133 | Y | 98 | Very high | 93.3 | Very high | 15 Ų | 15 | 42.7 Ų | 42.7 | 6% | 0.059 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 126.1 | 176.5 | -167.8 | -147.3 | 0 | 0 | 0 | 109.6 | I72 A135 Y178 F179 T184 N281 | I72-Y133 HydrophobicContact CD1-CD1 4.42Å; I72-Y133 VanDerWaalsContact CG1-O 3.27Å; I72-Y133 WeakPolarHBondContact CG1-O 3.23Å; I72-Y133 PolarHBondContact N-O 3.46Å; I72-Y133 PolarHBondContact O-N 2.65Å; Y133-A135 VanDerWaalsContact C-N 3.32Å; Y133-A135 HydrophobicContact CD1-CB 3.66Å; Y133-A135 HydrophobicContact CE1-CB 3.79Å; Y133-A135 HydrophobicContact CG-CB 4.26Å; Y133-A135 PolarHBondContact O-N 3.23Å; Y133-Y178 HydrophobicContact CE1-CD1 4.16Å; Y133-Y178 AromaticContact CZ-CD1 3.88Å; Y133-Y178 WeakPolarHBondContact OH-CD1 3.42Å; Y133-F179 WeakPolarHBondContact CD2-O 3.49Å; Y133-T184 HydrophobicContact CD2-CG2 3.9Å; Y133-T184 HydrophobicContact CG-CG2 4.06Å; Y133-N281 WeakPolarHBondContact CE2-ND2 3.46Å |
| 134 | G | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 69.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y178 F179 | G134-Y178 CarbonylContact O-C 3.56Å; G134-Y178 WeakPolarHBondContact O-CA 3.4Å; G134-F179 PolarHBondContact N-O 3.33Å; G134-F179 PolarHBondContact O-N 2.83Å |
| 135 | A | 92.4 | Very high | 92.8 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 162.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I72 Y133 V137 Y178 | I72-A135 HydrophobicContact CD1-CB 4.29Å; Y133-A135 VanDerWaalsContact C-N 3.32Å; Y133-A135 HydrophobicContact CD1-CB 3.66Å; Y133-A135 HydrophobicContact CE1-CB 3.79Å; Y133-A135 HydrophobicContact CG-CB 4.26Å; Y133-A135 PolarHBondContact O-N 3.23Å; A135-V137 VanDerWaalsContact C-N 3.26Å; A135-V137 PolarHBondContact O-N 2.97Å; A135-Y178 HydrophobicContact CB-CD1 3.78Å; A135-Y178 HydrophobicContact CB-CE1 3.84Å |
| 136 | D | 90.4 | Very high | 92.8 | Very high | 89 Ų | 89 | 44 Ų | 44 | 48% | 0.476 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 56.2 | 38.3 | 165.5 | -45.8 | -48.1 | 0 | 0 | 0 | 112.9 | Y176 L177 Y178 | D136-Y176 HydrophobicContact CB-CD2 4.2Å; D136-Y176 HydrophobicContact CB-CE2 4.11Å; D136-Y176 HydrophobicContact CB-CG 4.48Å; D136-L177 PolarHBondContact N-O 2.92Å; D136-Y178 WeakPolarHBondContact OD1-CE1 3.25Å; D136-Y178 VanDerWaalsContact OD1-CZ 3.26Å; D136-Y178 PolarHBondContact OD1-OH 3.14Å |
| 137 | V | 92.7 | Very high | 92.7 | Very high | 9 Ų | 9 | 52.2 Ų | 52.2 | 6% | 0.055 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 106.7 | 179.4 | -174.9 | 0 | 0 | 0 | 0 | 109.1 | L66 I68 A135 G139 Y176 L177 | L66-V137 HydrophobicContact CD2-CG1 4.43Å; I68-V137 HydrophobicContact CG2-CG2 3.99Å; A135-V137 VanDerWaalsContact C-N 3.26Å; A135-V137 PolarHBondContact O-N 2.97Å; V137-G139 PolarHBondContact O-N 2.89Å; V137-Y176 WeakPolarHBondContact O-CA 3.29Å; V137-L177 HydrophobicContact CB-CB 4.23Å; V137-L177 PolarHBondContact N-O 3.43Å; V137-L177 PolarHBondContact O-N 2.92Å |
| 138 | N | 90.4 | Very high | 92.8 | Very high | 82 Ų | 82 | 52.8 Ų | 52.8 | 44% | 0.439 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.2 | 123.9 | 174.9 | -88.4 | -57.5 | 0 | 0 | 0 | 111.8 | E170 T174 Y176 | N138-E170 PolarHBondContact ND2-OE2 3.47Å; N138-T174 PolarHBondContact OD1-OG1 3.03Å; N138-Y176 HydrophobicContact CB-CE1 4.48Å; N138-Y176 WeakPolarHBondContact OD1-CE1 3.48Å |
| 139 | G | 90.1 | Very high | 93 | Very high | 30 Ų | 30 | 46.3 Ų | 46.3 | 31% | 0.309 | 26% | 0.258 | S | S | . | . | trans | 148.9 | 173.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | V137 P175 | V137-G139 PolarHBondContact O-N 2.89Å; G139-P175 PolarHBondContact N-O 3.49Å; G139-P175 VanDerWaalsContact N-O 3.16Å; G139-P175 CarbonylContact O-C 3.6Å; G139-P175 WeakPolarHBondContact O-CB 3.18Å; G139-P175 WeakPolarHBondContact O-CG 3.36Å | ||
| 140 | S | 93.8 | Very high | 93.1 | Very high | 34 Ų | 34 | 44.4 Ų | 44.4 | 24% | 0.238 | 25% | 0.248 | C | C | . | . | trans | -132.5 | 148.3 | 175.8 | -176.3 | 0 | 0 | 0 | 0 | 111.1 | Y142 C152 E288 | S140-Y142 WeakPolarHBondContact OG-CD2 3.46Å; S140-Y142 PolarHBondContact OG-N 2.9Å; S140-C152 WeakPolarHBondContact CB-SG 3.2Å; S140-E288 VanDerWaalsContact CA-OE2 3.27Å; S140-E288 WeakPolarHBondContact CA-OE2 3.28Å; S140-E288 VanDerWaalsContact CB-OE1 3.22Å; S140-E288 WeakPolarHBondContact CB-OE1 3.22Å; S140-E288 VanDerWaalsContact OG-CD 3.24Å; S140-E288 PolarHBondContact OG-OE1 2.99Å; S140-E288 PolarHBondContact OG-OE2 3.36Å; S140-E288 VanDerWaalsContact OG-OE2 3.1Å | ||
| 141 | L | 95.1 | Very high | 93 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | trans | -107.9 | 22.8 | 171.4 | -59.5 | -177.2 | 0 | 0 | 0 | 112.1 | R57 Y60 I63 L66 L177 F203 E288 | R57-L141 WeakPolarHBondContact CB-O 3.41Å; R57-L141 WeakPolarHBondContact CD-O 3.48Å; R57-L141 PolarHBondContact NE-O 3.1Å; R57-L141 VanDerWaalsContact NE-O 3.13Å; Y60-L141 HydrophobicContact CE1-CB 4.4Å; I63-L141 HydrophobicContact CG2-CD1 4.45Å; I63-L141 HydrophobicContact CG2-CD2 3.78Å; L66-L141 HydrophobicContact CD1-CD2 4.22Å; L141-L177 HydrophobicContact CD1-CD1 4.32Å; L141-L177 HydrophobicContact CD1-CD2 4.26Å; L141-L177 HydrophobicContact CD2-CD1 3.94Å; L141-L177 HydrophobicContact CG-CD1 3.78Å; L141-L177 HydrophobicContact CG-CD2 3.81Å; L141-L177 HydrophobicContact CG-CG 4.46Å; L141-F203 HydrophobicContact CD1-CE1 4.32Å; L141-E288 PolarHBondContact N-OE2 2.86Å | ||
| 142 | Y | 94.6 | Very high | 92.5 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 5% | 0.047 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -82.4 | 150 | 166.5 | -75.8 | -118.3 | 0 | 0 | 0 | 110.2 | W54 P56 R57 S140 I146 W149 N150 I151 H202 F268 | W54-Y142 HydrophobicContact CH2-CE1 4.12Å; W54-Y142 AromaticContact CZ2-CE1 3.92Å; W54-Y142 HydrophobicContact CZ2-CE1 3.92Å; P56-Y142 HydrophobicContact CB-CD1 3.45Å; P56-Y142 VanDerWaalsContact CB-CD1 3.45Å; P56-Y142 HydrophobicContact CB-CD2 4.15Å; P56-Y142 HydrophobicContact CB-CE1 3.38Å; P56-Y142 HydrophobicContact CB-CE2 4.05Å; P56-Y142 HydrophobicContact CB-CG 3.83Å; P56-Y142 HydrophobicContact CG-CE1 4.48Å; P56-Y142 CarbonylContact O-C 3.48Å; P56-Y142 WeakPolarHBondContact O-CA 3.24Å; R57-Y142 PolarHBondContact NH2-O 2.78Å; S140-Y142 WeakPolarHBondContact OG-CD2 3.46Å; S140-Y142 PolarHBondContact OG-N 2.9Å; Y142-I146 HydrophobicContact CD1-CB 4.5Å; Y142-I146 HydrophobicContact CD1-CG2 4.09Å; Y142-W149 WeakPolarHBondContact CE1-O 3.39Å; Y142-N150 HydrophobicContact CD1-CB 4.16Å; Y142-I151 HydrophobicContact CE2-CB 4.32Å; Y142-I151 HydrophobicContact CE2-CD1 3.87Å; Y142-I151 HydrophobicContact CE2-CG1 3.93Å; Y142-H202 AromaticContact CD2-CE1 3.79Å; Y142-H202 AromaticContact CE2-CE1 3.58Å; Y142-H202 AromaticContact CE2-NE2 3.76Å; Y142-F268 WeakPolarHBondContact OH-CE1 3.49Å; Y142-F268 WeakPolarHBondContact OH-CZ 3.4Å |
| 143 | D | 93.1 | Very high | 91.9 | Very high | 42 Ų | 42 | 50.9 Ų | 50.9 | 23% | 0.225 | 28% | 0.278 | C | S | . | . | trans | -85.2 | 148 | 171.1 | -71 | -14 | 0 | 0 | 0 | 110.4 | P56 R57 G58 D145 I146 | P56-D143 PolarHBondContact O-N 3.47Å; R57-D143 WeakPolarHBondContact CA-OD2 2.92Å; R57-D143 WeakPolarHBondContact CG-OD1 3.43Å; R57-D143 IonicContact CZ-OD1 3.01Å; R57-D143 IonicContact NE-OD1 2.76Å; R57-D143 PolarHBondContact NE-OD1 2.86Å; R57-D143 IonicContact NH2-OD1 3.18Å; R57-D143 PolarHBondContact NH2-OD1 3.2Å; G58-D143 PolarHBondContact N-OD2 3.07Å; D143-D145 WeakPolarHBondContact CB-OD1 3.1Å; D143-D145 PolarHBondContact O-N 2.79Å; D143-D145 VanDerWaalsContact O-N 3.08Å; D143-I146 HydrophobicContact CB-CG1 4.35Å; D143-I146 PolarHBondContact O-N 2.92Å; D143-I146 VanDerWaalsContact O-N 3.15Å | ||
| 144 | P | 87.8 | Confident | 91.5 | Very high | 136 Ų | 136 | 50.8 Ų | 50.8 | 88% | 0.883 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -10.5 | -166.1 | -21.1 | 34.6 | 0 | 0 | 0 | 115.8 | ||
| 145 | D | 90.4 | Very high | 90.9 | Very high | 127 Ų | 127 | 53.5 Ų | 53.5 | 68% | 0.679 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -3.6 | 178.5 | 56.6 | -47.1 | 0 | 0 | 0 | 113.8 | D143 E147 | D143-D145 WeakPolarHBondContact CB-OD1 3.1Å; D143-D145 PolarHBondContact O-N 2.79Å; D143-D145 VanDerWaalsContact O-N 3.08Å; D145-E147 PolarHBondContact O-N 2.62Å |
| 146 | I | 92.2 | Very high | 90.8 | Very high | 28 Ų | 28 | 53.7 Ų | 53.7 | 14% | 0.144 | 31% | 0.307 | C | S | . | . | trans | -85.8 | 110.9 | 177.9 | -54.9 | -59.1 | 0 | 0 | 0 | 110.6 | W54 R55 Y142 D143 N150 | W54-I146 HydrophobicContact CZ2-CG2 4.29Å; R55-I146 WeakPolarHBondContact O-CD1 3.33Å; Y142-I146 HydrophobicContact CD1-CB 4.5Å; Y142-I146 HydrophobicContact CD1-CG2 4.09Å; D143-I146 HydrophobicContact CB-CG1 4.35Å; D143-I146 PolarHBondContact O-N 2.92Å; D143-I146 VanDerWaalsContact O-N 3.15Å; I146-N150 WeakPolarHBondContact O-CB 3.47Å; I146-N150 PolarHBondContact O-ND2 2.89Å | ||
| 147 | E | 89.3 | Confident | 90.7 | Very high | 175 Ų | 175 | 50.3 Ų | 50.3 | 82% | 0.818 | 29% | 0.289 | S | S | * | . | trans | -91.1 | -37.4 | 173 | -64.1 | -171.9 | 174.3 | 0 | 0 | 111.9 | D145 W149 | D145-E147 PolarHBondContact O-N 2.62Å; E147-W149 PolarHBondContact O-N 3.1Å | ||
| 148 | E | 93 | Very high | 90.4 | Very high | 64 Ų | 64 | 50.3 Ų | 50.3 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | 122.7 | -176.8 | -58.5 | 92.9 | 154.2 | 0 | 0 | 112.8 | F25 K26 W54 N150 | F25-E148 HydrophobicContact CD1-CB 3.97Å; F25-E148 HydrophobicContact CE1-CB 4.03Å; K26-E148 HydrophobicContact CG-CG 4.1Å; W54-E148 PolarHBondContact NE1-O 3.39Å; E148-N150 PolarHBondContact O-N 3.31Å; E148-N150 VanDerWaalsContact O-N 3.16Å |
| 149 | W | 93.9 | Very high | 89.9 | Confident | 5 Ų | 5 | 48.2 Ų | 48.2 | 2% | 0.019 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 23.4 | 175.7 | -68.5 | 57.8 | 0 | 0 | 0 | 114.4 | F25 F28 Y31 I48 Y142 E147 I151 I198 F268 I270 | F25-W149 AromaticContact CD1-CD1 3.72Å; F25-W149 HydrophobicContact CD1-CG 4.38Å; F25-W149 AromaticContact CD2-CD1 3.81Å; F25-W149 HydrophobicContact CD2-CD2 4.12Å; F25-W149 AromaticContact CD2-CE2 3.66Å; F25-W149 HydrophobicContact CD2-CG 4.26Å; F25-W149 HydrophobicContact CD2-CZ2 4.16Å; F25-W149 AromaticContact CD2-NE1 3.44Å; F25-W149 HydrophobicContact CE1-CB 3.97Å; F25-W149 AromaticContact CE1-CD1 3.46Å; F25-W149 VanDerWaalsContact CE1-CD1 3.46Å; F25-W149 HydrophobicContact CE1-CD2 4.44Å; F25-W149 AromaticContact CE1-CG 3.71Å; F25-W149 HydrophobicContact CE1-CG 3.71Å; F25-W149 HydrophobicContact CE2-CB 4.41Å; F25-W149 AromaticContact CE2-CD1 3.59Å; F25-W149 AromaticContact CE2-CD2 3.43Å; F25-W149 HydrophobicContact CE2-CD2 3.43Å; F25-W149 VanDerWaalsContact CE2-CD2 3.43Å; F25-W149 AromaticContact CE2-CE2 3.45Å; F25-W149 VanDerWaalsContact CE2-CE2 3.45Å; F25-W149 HydrophobicContact CE2-CE3 4.01Å; F25-W149 AromaticContact CE2-CG 3.59Å; F25-W149 HydrophobicContact CE2-CG 3.59Å; F25-W149 HydrophobicContact CE2-CZ2 4.1Å; F25-W149 AromaticContact CE2-NE1 3.53Å; F25-W149 AromaticContact CG-CD1 3.88Å; F25-W149 AromaticContact CG-NE1 3.73Å; F25-W149 HydrophobicContact CZ-CB 3.65Å; F25-W149 AromaticContact CZ-CD1 3.4Å; F25-W149 VanDerWaalsContact CZ-CD1 3.4Å; F25-W149 AromaticContact CZ-CD2 3.62Å; F25-W149 HydrophobicContact CZ-CD2 3.62Å; F25-W149 HydrophobicContact CZ-CE3 4.31Å; F25-W149 AromaticContact CZ-CG 3.26Å; F25-W149 HydrophobicContact CZ-CG 3.26Å; F25-W149 AromaticContact CZ-NE1 3.87Å; F25-W149 PolarHBondContact O-NE1 2.73Å; F28-W149 AromaticContact CD2-CD2 3.67Å; F28-W149 HydrophobicContact CD2-CD2 3.67Å; F28-W149 AromaticContact CD2-CE2 3.75Å; F28-W149 AromaticContact CD2-CE3 3.69Å; F28-W149 HydrophobicContact CD2-CE3 3.69Å; F28-W149 HydrophobicContact CD2-CG 4.32Å; F28-W149 AromaticContact CD2-CH2 3.81Å; F28-W149 HydrophobicContact CD2-CH2 3.81Å; F28-W149 AromaticContact CD2-CZ2 3.85Å; F28-W149 HydrophobicContact CD2-CZ2 3.85Å; F28-W149 AromaticContact CD2-CZ3 3.76Å; F28-W149 HydrophobicContact CD2-CZ3 3.76Å; F28-W149 HydrophobicContact CE2-CD2 4.37Å; F28-W149 AromaticContact CE2-CE3 3.93Å; F28-W149 HydrophobicContact CE2-CE3 3.93Å; F28-W149 HydrophobicContact CE2-CH2 4.03Å; F28-W149 AromaticContact CE2-CZ3 3.74Å; F28-W149 HydrophobicContact CE2-CZ3 3.74Å; Y31-W149 HydrophobicContact CD1-CH2 4.02Å; Y31-W149 AromaticContact CD1-CZ2 3.83Å; Y31-W149 HydrophobicContact CD1-CZ2 3.83Å; Y31-W149 HydrophobicContact CG-CZ2 4.15Å; I48-W149 HydrophobicContact CD1-CH2 3.51Å; I48-W149 HydrophobicContact CD1-CZ3 3.86Å; I48-W149 HydrophobicContact CG2-CH2 4.15Å; I48-W149 HydrophobicContact CG2-CZ3 4.41Å; Y142-W149 WeakPolarHBondContact CE1-O 3.39Å; E147-W149 PolarHBondContact O-N 3.1Å; W149-I151 PolarHBondContact O-N 2.8Å; W149-I151 VanDerWaalsContact O-N 3.16Å; W149-I198 HydrophobicContact CE3-CD1 3.91Å; W149-I198 HydrophobicContact CZ3-CD1 4.28Å; W149-F268 HydrophobicContact CB-CE1 4.31Å; W149-F268 HydrophobicContact CB-CZ 3.83Å; W149-F268 HydrophobicContact CE3-CD1 4.08Å; W149-F268 HydrophobicContact CE3-CD2 4.24Å; W149-F268 HydrophobicContact CE3-CE1 4.02Å; W149-F268 HydrophobicContact CE3-CE2 4.22Å; W149-F268 HydrophobicContact CE3-CG 4.16Å; W149-F268 HydrophobicContact CE3-CZ 4.08Å; W149-F268 HydrophobicContact CG-CZ 4.49Å; W149-F268 HydrophobicContact CZ3-CG 4.41Å; W149-I270 HydrophobicContact CZ3-CD1 4.39Å |
| 150 | N | 92.8 | Very high | 88.9 | Confident | 16 Ų | 16 | 47.4 Ų | 47.4 | 9% | 0.086 | 27% | 0.266 | C | S | . | . | trans | -62.9 | 115.9 | 176.3 | -168.3 | -36.6 | 0 | 0 | 0 | 110.7 | Y142 I146 E148 C152 H153 L154 | Y142-N150 HydrophobicContact CD1-CB 4.16Å; I146-N150 WeakPolarHBondContact O-CB 3.47Å; I146-N150 PolarHBondContact O-ND2 2.89Å; E148-N150 PolarHBondContact O-N 3.31Å; E148-N150 VanDerWaalsContact O-N 3.16Å; N150-C152 PolarHBondContact O-N 2.96Å; N150-C152 VanDerWaalsContact OD1-CB 3.25Å; N150-C152 WeakPolarHBondContact OD1-CB 3.36Å; N150-C152 PolarHBondContact OD1-N 3.16Å; N150-C152 PolarHBondContact OD1-SG 3.25Å; N150-H153 CarbonylContact O-C 3.58Å; N150-H153 PolarHBondContact O-N 3.35Å; N150-L154 WeakPolarHBondContact O-CD2 3.42Å; N150-L154 PolarHBondContact O-N 3.02Å | ||
| 151 | I | 92.3 | Very high | 87.8 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -19.5 | -174.8 | -60.8 | 179.2 | 0 | 0 | 0 | 111.6 | Y142 W149 H153 P175 I198 E288 T290 | Y142-I151 HydrophobicContact CE2-CB 4.32Å; Y142-I151 HydrophobicContact CE2-CD1 3.87Å; Y142-I151 HydrophobicContact CE2-CG1 3.93Å; W149-I151 PolarHBondContact O-N 2.8Å; W149-I151 VanDerWaalsContact O-N 3.16Å; I151-H153 VanDerWaalsContact C-N 3.34Å; I151-P175 HydrophobicContact CG2-CB 4.15Å; I151-I198 HydrophobicContact CG1-CD1 4.44Å; I151-I198 HydrophobicContact CG1-CG2 4.4Å; I151-I198 HydrophobicContact CG2-CG2 4.31Å; I151-E288 HydrophobicContact CB-CG 4.38Å; I151-E288 HydrophobicContact CD1-CB 4.14Å; I151-E288 HydrophobicContact CD1-CG 4.04Å; I151-E288 HydrophobicContact CG2-CG 4.19Å; I151-T290 HydrophobicContact CG2-CG2 3.62Å; I151-T290 WeakPolarHBondContact O-CG2 3.27Å |
| 152 | C | 86.6 | Confident | 86.6 | Confident | 40 Ų | 40 | 49.7 Ų | 49.7 | 27% | 0.27 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -35.1 | 169.6 | -58.6 | 0 | 0 | 0 | 0 | 112.9 | S140 N150 | S140-C152 WeakPolarHBondContact CB-SG 3.2Å; N150-C152 PolarHBondContact O-N 2.96Å; N150-C152 VanDerWaalsContact OD1-CB 3.25Å; N150-C152 WeakPolarHBondContact OD1-CB 3.36Å; N150-C152 PolarHBondContact OD1-N 3.16Å; N150-C152 PolarHBondContact OD1-SG 3.25Å |
| 153 | H | 85.4 | Confident | 85.5 | Confident | 148 Ų | 148 | 58.1 Ų | 58.1 | 69% | 0.685 | 31% | 0.306 | S | S | * | . | trans | -144.4 | 62.4 | -160.2 | -62.9 | -31.2 | 0 | 0 | 0 | 111.7 | N150 I151 G155 | N150-H153 CarbonylContact O-C 3.58Å; N150-H153 PolarHBondContact O-N 3.35Å; I151-H153 VanDerWaalsContact C-N 3.34Å; H153-G155 VanDerWaalsContact C-N 3.25Å; H153-G155 PolarHBondContact O-N 3.11Å | ||
| 154 | L | 88.5 | Confident | 84.3 | Confident | 14 Ų | 14 | 60.4 Ų | 60.4 | 7% | 0.073 | 32% | 0.318 | C | S | . | . | trans | -70.1 | -13.4 | -174.4 | -65.5 | 168.1 | 0 | 0 | 0 | 114.8 | F28 N150 T156 I198 T290 F292 | F28-L154 HydrophobicContact CD1-CB 3.99Å; F28-L154 HydrophobicContact CD1-CD2 4.18Å; F28-L154 WeakPolarHBondContact CD1-O 3.43Å; F28-L154 HydrophobicContact CD2-CD2 4.44Å; F28-L154 HydrophobicContact CE1-CB 3.98Å; F28-L154 HydrophobicContact CE1-CD1 4.34Å; F28-L154 HydrophobicContact CE1-CD2 4.1Å; F28-L154 HydrophobicContact CE1-CG 4.37Å; F28-L154 HydrophobicContact CE2-CD2 4.37Å; F28-L154 HydrophobicContact CG-CD2 4.35Å; F28-L154 HydrophobicContact CZ-CD2 4.19Å; N150-L154 WeakPolarHBondContact O-CD2 3.42Å; N150-L154 PolarHBondContact O-N 3.02Å; L154-T156 HydrophobicContact CB-CG2 3.71Å; L154-I198 HydrophobicContact CD1-CG2 3.66Å; L154-I198 HydrophobicContact CD2-CD1 4.16Å; L154-I198 HydrophobicContact CD2-CG2 4.45Å; L154-T290 HydrophobicContact CD1-CG2 3.76Å; L154-F292 HydrophobicContact CD1-CB 3.96Å; L154-F292 HydrophobicContact CD1-CD1 4.32Å; L154-F292 HydrophobicContact CD1-CG 4.39Å | ||
| 155 | G | 84.6 | Confident | 83.2 | Confident | 57 Ų | 57 | 56.4 Ų | 56.4 | 59% | 0.588 | 29% | 0.293 | S | S | * | . | trans | 74.8 | 37.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | S29 H153 D159 | S29-G155 PolarHBondContact OG-O 2.68Å; H153-G155 VanDerWaalsContact C-N 3.25Å; H153-G155 PolarHBondContact O-N 3.11Å; G155-D159 WeakPolarHBondContact CA-OD2 3.35Å; G155-D159 PolarHBondContact N-OD2 2.8Å | ||
| 156 | T | 90.3 | Very high | 82.2 | Confident | 13 Ų | 13 | 53.2 Ų | 53.2 | 8% | 0.08 | 29% | 0.29 | C | S | . | . | trans | -106.3 | 178.8 | -169 | 80.5 | 0 | 0 | 0 | 0 | 113.7 | F28 L154 L158 D159 F292 A293 | F28-T156 HydrophobicContact CD1-CG2 4.08Å; F28-T156 HydrophobicContact CE1-CG2 3.88Å; L154-T156 HydrophobicContact CB-CG2 3.71Å; T156-L158 PolarHBondContact O-N 3.06Å; T156-L158 PolarHBondContact OG1-N 3.12Å; T156-D159 WeakPolarHBondContact CA-OD1 3.29Å; T156-D159 WeakPolarHBondContact CB-OD1 3.32Å; T156-D159 PolarHBondContact N-OD1 2.68Å; T156-D159 PolarHBondContact N-OD2 2.9Å; T156-D159 VanDerWaalsContact N-OD2 3.09Å; T156-D159 WeakPolarHBondContact O-CB 3.25Å; T156-D159 PolarHBondContact O-N 3.05Å; T156-D159 PolarHBondContact OG1-OD1 2.86Å; T156-F292 HydrophobicContact CG2-CB 4Å; T156-F292 HydrophobicContact CG2-CD2 4.32Å; T156-A293 WeakPolarHBondContact CB-O 3.4Å | ||
| 157 | I | 88.2 | Confident | 81.2 | Confident | 19 Ų | 19 | 56.3 Ų | 56.3 | 10% | 0.097 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -70 | -15.2 | 175.7 | 75.4 | 166 | 0 | 0 | 0 | 112.4 | T160 A293 T294 I298 F321 Y325 | I157-T160 VanDerWaalsContact O-CB 3.26Å; I157-T160 WeakPolarHBondContact O-CB 3.34Å; I157-T160 PolarHBondContact O-N 3.11Å; I157-A293 HydrophobicContact CD1-CB 4.21Å; I157-A293 HydrophobicContact CG1-CB 3.58Å; I157-T294 WeakPolarHBondContact CD1-O 3.35Å; I157-I298 HydrophobicContact CD1-CD1 3.9Å; I157-I298 HydrophobicContact CD1-CG1 3.97Å; I157-F321 HydrophobicContact CD1-CD1 4.01Å; I157-F321 HydrophobicContact CD1-CE1 4.15Å; I157-F321 HydrophobicContact CG1-CD1 4.42Å; I157-F321 HydrophobicContact CG1-CE1 4.09Å; I157-F321 WeakPolarHBondContact O-CE1 3.41Å; I157-Y325 HydrophobicContact CB-CE2 4.21Å; I157-Y325 HydrophobicContact CD1-CE2 4.4Å; I157-Y325 HydrophobicContact CG2-CE1 3.98Å; I157-Y325 HydrophobicContact CG2-CE2 4.46Å; I157-Y325 WeakPolarHBondContact CG2-OH 3.07Å |
| 158 | L | 85.8 | Confident | 80.1 | Confident | 9 Ų | 9 | 51.9 Ų | 51.9 | 5% | 0.047 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -71 | -41 | 176.4 | -172.1 | 57.4 | 0 | 0 | 0 | 111.3 | T156 T160 V161 V172 L195 A293 I316 F321 | T156-L158 PolarHBondContact O-N 3.06Å; T156-L158 PolarHBondContact OG1-N 3.12Å; L158-T160 PolarHBondContact O-N 3.48Å; L158-V161 WeakPolarHBondContact O-CB 3.13Å; L158-V161 PolarHBondContact O-N 2.93Å; L158-V172 HydrophobicContact CD2-CG1 4.37Å; L158-V172 WeakPolarHBondContact CD2-O 3.39Å; L158-L195 HydrophobicContact CD2-CD1 4.35Å; L158-L195 HydrophobicContact CD2-CD2 4.41Å; L158-A293 HydrophobicContact CB-CB 4.06Å; L158-I316 HydrophobicContact CD1-CD1 4.25Å; L158-F321 HydrophobicContact CD1-CZ 4.16Å |
| 159 | D | 79.6 | Confident | 79 | Confident | 37 Ų | 37 | 50.5 Ų | 50.5 | 20% | 0.198 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57 | -22.9 | 175.9 | -40.7 | 29.3 | 0 | 0 | 0 | 112.1 | G155 T156 V161 R163 | G155-D159 WeakPolarHBondContact CA-OD2 3.35Å; G155-D159 PolarHBondContact N-OD2 2.8Å; T156-D159 WeakPolarHBondContact CA-OD1 3.29Å; T156-D159 WeakPolarHBondContact CB-OD1 3.32Å; T156-D159 PolarHBondContact N-OD1 2.68Å; T156-D159 PolarHBondContact N-OD2 2.9Å; T156-D159 VanDerWaalsContact N-OD2 3.09Å; T156-D159 WeakPolarHBondContact O-CB 3.25Å; T156-D159 PolarHBondContact O-N 3.05Å; T156-D159 PolarHBondContact OG1-OD1 2.86Å; D159-V161 VanDerWaalsContact C-N 3.32Å; D159-R163 PolarHBondContact O-N 2.91Å |
| 160 | T | 70.3 | Confident | 77.6 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 8% | 0.08 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.5 | -30.3 | 173.6 | -64 | 0 | 0 | 0 | 0 | 112.4 | I157 L158 R163 D164 K324 | I157-T160 VanDerWaalsContact O-CB 3.26Å; I157-T160 WeakPolarHBondContact O-CB 3.34Å; I157-T160 PolarHBondContact O-N 3.11Å; L158-T160 PolarHBondContact O-N 3.48Å; T160-R163 PolarHBondContact O-N 3.05Å; T160-D164 HydrophobicContact CG2-CB 4.43Å; T160-D164 VanDerWaalsContact CG2-OD2 3.3Å; T160-D164 WeakPolarHBondContact CG2-OD2 3.45Å; T160-D164 VanDerWaalsContact O-CB 3.24Å; T160-D164 WeakPolarHBondContact O-CB 3.3Å; T160-D164 PolarHBondContact O-N 2.82Å; T160-K324 HydrophobicContact CG2-CD 3.93Å |
| 161 | V | 69.6 | Low | 76 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.4 | -46 | 177.4 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | L158 D159 R163 S165 G166 F321 | L158-V161 WeakPolarHBondContact O-CB 3.13Å; L158-V161 PolarHBondContact O-N 2.93Å; D159-V161 VanDerWaalsContact C-N 3.32Å; V161-R163 VanDerWaalsContact C-N 3.32Å; V161-R163 PolarHBondContact O-N 3.13Å; V161-S165 WeakPolarHBondContact CG1-OG 3.28Å; V161-S165 WeakPolarHBondContact O-CA 3.44Å; V161-S165 WeakPolarHBondContact O-CB 3.3Å; V161-S165 PolarHBondContact O-N 3.18Å; V161-S165 PolarHBondContact O-OG 2.94Å; V161-G166 PolarHBondContact O-N 3.27Å; V161-F321 HydrophobicContact CG2-CD2 4.45Å; V161-F321 HydrophobicContact CG2-CE1 4.03Å; V161-F321 HydrophobicContact CG2-CE2 3.41Å; V161-F321 VanDerWaalsContact CG2-CE2 3.41Å; V161-F321 HydrophobicContact CG2-CZ 3.16Å |
| 162 | E | 70.6 | Confident | 75 | Confident | 74 Ų | 74 | 55.5 Ų | 55.5 | 35% | 0.346 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63 | -42 | 178.3 | -177.6 | 161.5 | -116.9 | 0 | 0 | 111.1 | G166 T168 N173 | E162-G166 WeakPolarHBondContact O-CA 3.45Å; E162-G166 PolarHBondContact O-N 2.8Å; E162-T168 VanDerWaalsContact OE1-CB 3.3Å; E162-T168 WeakPolarHBondContact OE1-CB 3.2Å; E162-T168 VanDerWaalsContact OE1-CG2 3.32Å; E162-T168 WeakPolarHBondContact OE1-CG2 3.42Å; E162-T168 PolarHBondContact OE1-OG1 3.11Å; E162-N173 PolarHBondContact OE1-ND2 3.4Å; E162-N173 PolarHBondContact OE2-ND2 2.82Å |
| 163 | R | 71.6 | Confident | 74.4 | Confident | 189 Ų | 189 | 54.9 Ų | 54.9 | 71% | 0.713 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -69.4 | -49 | 178.5 | -168.6 | -176 | -56.3 | 154.9 | 8.9 | 114 | D159 T160 V161 | D159-R163 PolarHBondContact O-N 2.91Å; T160-R163 PolarHBondContact O-N 3.05Å; V161-R163 VanDerWaalsContact C-N 3.32Å; V161-R163 PolarHBondContact O-N 3.13Å |
| 164 | D | 68.6 | Low | 74.2 | Confident | 89 Ų | 89 | 49.1 Ų | 49.1 | 48% | 0.476 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -88.8 | -18.4 | -170.4 | -65.9 | 6.9 | 0 | 0 | 0 | 112.5 | T160 K324 | T160-D164 HydrophobicContact CG2-CB 4.43Å; T160-D164 VanDerWaalsContact CG2-OD2 3.3Å; T160-D164 WeakPolarHBondContact CG2-OD2 3.45Å; T160-D164 VanDerWaalsContact O-CB 3.24Å; T160-D164 WeakPolarHBondContact O-CB 3.3Å; T160-D164 PolarHBondContact O-N 2.82Å; D164-K324 IonicContact OD2-NZ 2.85Å; D164-K324 PolarHBondContact OD2-NZ 2.76Å |
| 165 | S | 64.9 | Low | 74.3 | Confident | 52 Ų | 52 | 49.2 Ų | 49.2 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -126.5 | -10.7 | -179.8 | 76.9 | 0 | 0 | 0 | 0 | 115.8 | V161 I167 | V161-S165 WeakPolarHBondContact CG1-OG 3.28Å; V161-S165 WeakPolarHBondContact O-CA 3.44Å; V161-S165 WeakPolarHBondContact O-CB 3.3Å; V161-S165 PolarHBondContact O-N 3.18Å; V161-S165 PolarHBondContact O-OG 2.94Å; S165-I167 VanDerWaalsContact C-N 3.33Å; S165-I167 PolarHBondContact O-N 3.06Å |
| 166 | G | 67.7 | Low | 74.7 | Confident | 61 Ų | 61 | 48.5 Ų | 48.5 | 63% | 0.629 | 26% | 0.262 | S | S | * | . | trans | 73.2 | 19.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | V161 E162 | V161-G166 PolarHBondContact O-N 3.27Å; E162-G166 WeakPolarHBondContact O-CA 3.45Å; E162-G166 PolarHBondContact O-N 2.8Å | ||
| 167 | I | 71.9 | Confident | 75 | Confident | 93 Ų | 93 | 48 Ų | 48 | 48% | 0.477 | 26% | 0.259 | S | S | . | . | trans | -104 | 103.4 | -177.7 | -53.6 | 176.4 | 0 | 0 | 0 | 110 | S165 I169 | S165-I167 VanDerWaalsContact C-N 3.33Å; S165-I167 PolarHBondContact O-N 3.06Å; I167-I169 HydrophobicContact CG2-CD1 4.36Å; I167-I169 HydrophobicContact CG2-CG1 3.94Å | ||
| 168 | T | 67 | Low | 75.4 | Confident | 82 Ų | 82 | 48.7 Ų | 48.7 | 50% | 0.503 | 26% | 0.26 | S | S | . | . | trans | -81.2 | 139.8 | 164.4 | -47.7 | 0 | 0 | 0 | 0 | 109.8 | E162 T174 | E162-T168 VanDerWaalsContact OE1-CB 3.3Å; E162-T168 WeakPolarHBondContact OE1-CB 3.2Å; E162-T168 VanDerWaalsContact OE1-CG2 3.32Å; E162-T168 WeakPolarHBondContact OE1-CG2 3.42Å; E162-T168 PolarHBondContact OE1-OG1 3.11Å; T168-T174 HydrophobicContact CG2-CG2 3.76Å | ||
| 169 | I | 69.4 | Low | 76 | Confident | 35 Ų | 35 | 48.3 Ų | 48.3 | 18% | 0.179 | 26% | 0.258 | C | S | . | . | trans | -130.9 | 102.3 | -179.2 | -53.1 | 179 | 0 | 0 | 0 | 108.4 | I167 G171 V172 N173 V314 I316 | I167-I169 HydrophobicContact CG2-CD1 4.36Å; I167-I169 HydrophobicContact CG2-CG1 3.94Å; I169-G171 PolarHBondContact O-N 3.48Å; I169-V172 HydrophobicContact CB-CB 4.06Å; I169-V172 HydrophobicContact CG2-CB 3.76Å; I169-V172 HydrophobicContact CG2-CG1 4.47Å; I169-V172 HydrophobicContact CG2-CG2 3.69Å; I169-V172 PolarHBondContact O-N 3.45Å; I169-N173 PolarHBondContact N-OD1 2.75Å; I169-N173 PolarHBondContact O-N 2.91Å; I169-N173 VanDerWaalsContact O-N 3.14Å; I169-N173 PolarHBondContact O-OD1 3.12Å; I169-N173 VanDerWaalsContact O-OD1 3.07Å; I169-V314 HydrophobicContact CG2-CG1 4.31Å; I169-V314 HydrophobicContact CG2-CG2 4.42Å; I169-I316 HydrophobicContact CD1-CG1 3.97Å | ||
| 170 | E | 63.9 | Low | 76.9 | Confident | 113 Ų | 113 | 46.5 Ų | 46.5 | 53% | 0.528 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 128.1 | -177.4 | -68.8 | -176.5 | -141.7 | 0 | 0 | 112.3 | N138 V172 T174 Y176 | N138-E170 PolarHBondContact ND2-OE2 3.47Å; E170-V172 VanDerWaalsContact C-N 3.27Å; E170-V172 PolarHBondContact O-N 2.63Å; E170-T174 WeakPolarHBondContact CA-OG1 3.36Å; E170-Y176 PolarHBondContact O-OH 2.98Å |
| 171 | G | 60.1 | Low | 78.2 | Confident | 9 Ų | 9 | 45.9 Ų | 45.9 | 9% | 0.093 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | -14 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | I169 T174 Y176 | I169-G171 PolarHBondContact O-N 3.48Å; G171-T174 CarbonylContact C-O 3.54Å; G171-T174 WeakPolarHBondContact CA-O 3.4Å; G171-T174 PolarHBondContact N-OG1 3.2Å; G171-Y176 VanDerWaalsContact CA-CD2 3.49Å; G171-Y176 VanDerWaalsContact CA-CZ 3.48Å |
| 172 | V | 70.3 | Confident | 79.5 | Confident | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -39.1 | -173.7 | -178.6 | 0 | 0 | 0 | 0 | 111.2 | L158 I169 E170 L195 N291 V314 I316 | L158-V172 HydrophobicContact CD2-CG1 4.37Å; L158-V172 WeakPolarHBondContact CD2-O 3.39Å; I169-V172 HydrophobicContact CB-CB 4.06Å; I169-V172 HydrophobicContact CG2-CB 3.76Å; I169-V172 HydrophobicContact CG2-CG1 4.47Å; I169-V172 HydrophobicContact CG2-CG2 3.69Å; I169-V172 PolarHBondContact O-N 3.45Å; E170-V172 VanDerWaalsContact C-N 3.27Å; E170-V172 PolarHBondContact O-N 2.63Å; V172-L195 HydrophobicContact CG1-CD1 3.73Å; V172-N291 HydrophobicContact CG1-CB 4.25Å; V172-N291 WeakPolarHBondContact O-CB 3.39Å; V172-V314 HydrophobicContact CG2-CG1 3.99Å; V172-V314 HydrophobicContact CG2-CG2 3.9Å; V172-I316 HydrophobicContact CG1-CD1 4Å |
| 173 | N | 74.2 | Confident | 80.8 | Confident | 28 Ų | 28 | 43.3 Ų | 43.3 | 15% | 0.15 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | 8.5 | 164.2 | 80.6 | -54.2 | 0 | 0 | 0 | 112.8 | E162 I169 | E162-N173 PolarHBondContact OE1-ND2 3.4Å; E162-N173 PolarHBondContact OE2-ND2 2.82Å; I169-N173 PolarHBondContact N-OD1 2.75Å; I169-N173 PolarHBondContact O-N 2.91Å; I169-N173 VanDerWaalsContact O-N 3.14Å; I169-N173 PolarHBondContact O-OD1 3.12Å; I169-N173 VanDerWaalsContact O-OD1 3.07Å |
| 174 | T | 81.4 | Confident | 82 | Confident | 27 Ų | 27 | 34.3 Ų | 34.3 | 17% | 0.166 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -115.7 | 149.3 | 168.9 | 72.6 | 0 | 0 | 0 | 0 | 110 | N138 T168 E170 G171 T290 | N138-T174 PolarHBondContact OD1-OG1 3.03Å; T168-T174 HydrophobicContact CG2-CG2 3.76Å; E170-T174 WeakPolarHBondContact CA-OG1 3.36Å; G171-T174 CarbonylContact C-O 3.54Å; G171-T174 WeakPolarHBondContact CA-O 3.4Å; G171-T174 PolarHBondContact N-OG1 3.2Å; T174-T290 PolarHBondContact O-OG1 2.79Å |
| 175 | P | 89.5 | Confident | 83.4 | Confident | 16 Ų | 16 | 30.2 Ų | 30.2 | 10% | 0.104 | 18% | 0.175 | C | C | . | . | trans | -75.1 | 140.5 | 177.6 | 29.4 | -34.5 | 0 | 0 | 0 | 112.2 | G139 I151 E288 | G139-P175 PolarHBondContact N-O 3.49Å; G139-P175 VanDerWaalsContact N-O 3.16Å; G139-P175 CarbonylContact O-C 3.6Å; G139-P175 WeakPolarHBondContact O-CB 3.18Å; G139-P175 WeakPolarHBondContact O-CG 3.36Å; I151-P175 HydrophobicContact CG2-CB 4.15Å; P175-E288 HydrophobicContact CB-CG 4.04Å; P175-E288 WeakPolarHBondContact CB-OE1 3.45Å | ||
| 176 | Y | 93.7 | Very high | 84.9 | Confident | 41 Ų | 41 | 29 Ų | 29 | 16% | 0.161 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 136 | 168.3 | -80.3 | -30.7 | 0 | 0 | 0 | 111.3 | D136 V137 N138 E170 G171 Y178 E288 S289 | D136-Y176 HydrophobicContact CB-CD2 4.2Å; D136-Y176 HydrophobicContact CB-CE2 4.11Å; D136-Y176 HydrophobicContact CB-CG 4.48Å; V137-Y176 WeakPolarHBondContact O-CA 3.29Å; N138-Y176 HydrophobicContact CB-CE1 4.48Å; N138-Y176 WeakPolarHBondContact OD1-CE1 3.48Å; E170-Y176 PolarHBondContact O-OH 2.98Å; G171-Y176 VanDerWaalsContact CA-CD2 3.49Å; G171-Y176 VanDerWaalsContact CA-CZ 3.48Å; Y176-Y178 VanDerWaalsContact CB-CE2 3.48Å; Y176-Y178 WeakPolarHBondContact CD2-OH 3.25Å; Y176-Y178 WeakPolarHBondContact O-CD2 3.43Å; Y176-Y178 WeakPolarHBondContact O-CE2 3.32Å; Y176-E288 WeakPolarHBondContact O-CA 3.28Å; Y176-S289 PolarHBondContact N-O 2.81Å; Y176-S289 PolarHBondContact O-N 2.84Å |
| 177 | L | 96.3 | Very high | 86.4 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 143.1 | 171 | -54.7 | 177.8 | 0 | 0 | 0 | 111.4 | L66 D136 V137 L141 F179 A287 E288 | L66-L177 HydrophobicContact CD1-CD1 4.17Å; D136-L177 PolarHBondContact N-O 2.92Å; V137-L177 HydrophobicContact CB-CB 4.23Å; V137-L177 PolarHBondContact N-O 3.43Å; V137-L177 PolarHBondContact O-N 2.92Å; L141-L177 HydrophobicContact CD1-CD1 4.32Å; L141-L177 HydrophobicContact CD1-CD2 4.26Å; L141-L177 HydrophobicContact CD2-CD1 3.94Å; L141-L177 HydrophobicContact CG-CD1 3.78Å; L141-L177 HydrophobicContact CG-CD2 3.81Å; L141-L177 HydrophobicContact CG-CG 4.46Å; L177-F179 HydrophobicContact CB-CE2 3.91Å; L177-F179 HydrophobicContact CB-CZ 4.42Å; L177-F179 HydrophobicContact CD1-CE2 4.41Å; L177-F179 HydrophobicContact CD1-CZ 4.37Å; L177-A287 CarbonylContact C-O 3.34Å; L177-A287 WeakPolarHBondContact CA-O 3.47Å; L177-E288 HydrophobicContact CD2-CB 3.73Å; L177-E288 HydrophobicContact CD2-CG 3.75Å; L177-E288 WeakPolarHBondContact CD2-OE2 3.45Å |
| 178 | Y | 97.5 | Very high | 87.6 | Confident | 35 Ų | 35 | 21.8 Ų | 21.8 | 14% | 0.137 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 98.7 | -174.5 | -68.3 | -85.8 | 0 | 0 | 0 | 110.9 | Y133 G134 A135 D136 Y176 G180 C286 A287 S289 | Y133-Y178 HydrophobicContact CE1-CD1 4.16Å; Y133-Y178 AromaticContact CZ-CD1 3.88Å; Y133-Y178 WeakPolarHBondContact OH-CD1 3.42Å; G134-Y178 CarbonylContact O-C 3.56Å; G134-Y178 WeakPolarHBondContact O-CA 3.4Å; A135-Y178 HydrophobicContact CB-CD1 3.78Å; A135-Y178 HydrophobicContact CB-CE1 3.84Å; D136-Y178 WeakPolarHBondContact OD1-CE1 3.25Å; D136-Y178 VanDerWaalsContact OD1-CZ 3.26Å; D136-Y178 PolarHBondContact OD1-OH 3.14Å; Y176-Y178 VanDerWaalsContact CB-CE2 3.48Å; Y176-Y178 WeakPolarHBondContact CD2-OH 3.25Å; Y176-Y178 WeakPolarHBondContact O-CD2 3.43Å; Y176-Y178 WeakPolarHBondContact O-CE2 3.32Å; Y178-G180 PolarHBondContact O-N 2.86Å; Y178-C286 WeakPolarHBondContact O-CA 3.35Å; Y178-A287 PolarHBondContact N-O 3.16Å; Y178-A287 PolarHBondContact O-N 3.13Å; Y178-S289 WeakPolarHBondContact CD2-OG 3.44Å; Y178-S289 WeakPolarHBondContact CE2-OG 3.47Å |
| 179 | F | 98.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 105.1 | 176 | -62.2 | -84.1 | 0 | 0 | 0 | 110.4 | L66 I68 V95 F98 Y133 G134 L177 N285 C286 | L66-F179 HydrophobicContact CD2-CE2 3.92Å; L66-F179 HydrophobicContact CD2-CZ 3.98Å; I68-F179 HydrophobicContact CD1-CB 3.95Å; I68-F179 HydrophobicContact CD1-CD2 3.86Å; I68-F179 HydrophobicContact CD1-CG 3.93Å; I68-F179 HydrophobicContact CG1-CD2 3.91Å; I68-F179 HydrophobicContact CG1-CE2 4.31Å; I68-F179 HydrophobicContact CG1-CG 4.47Å; V95-F179 HydrophobicContact CB-CE1 4.36Å; V95-F179 HydrophobicContact CG1-CD1 4.07Å; V95-F179 HydrophobicContact CG1-CE1 3.86Å; V95-F179 HydrophobicContact CG2-CD1 3.94Å; V95-F179 HydrophobicContact CG2-CD2 4.43Å; V95-F179 HydrophobicContact CG2-CE1 3.46Å; V95-F179 VanDerWaalsContact CG2-CE1 3.46Å; V95-F179 HydrophobicContact CG2-CE2 4.02Å; V95-F179 HydrophobicContact CG2-CG 4.39Å; V95-F179 HydrophobicContact CG2-CZ 3.52Å; F98-F179 HydrophobicContact CD1-CB 4.15Å; F98-F179 HydrophobicContact CE1-CB 3.93Å; F98-F179 WeakPolarHBondContact CE1-O 3.3Å; F98-F179 HydrophobicContact CZ-CB 4.32Å; F98-F179 WeakPolarHBondContact CZ-O 3.41Å; Y133-F179 WeakPolarHBondContact CD2-O 3.49Å; G134-F179 PolarHBondContact N-O 3.33Å; G134-F179 PolarHBondContact O-N 2.83Å; L177-F179 HydrophobicContact CB-CE2 3.91Å; L177-F179 HydrophobicContact CB-CZ 4.42Å; L177-F179 HydrophobicContact CD1-CE2 4.41Å; L177-F179 HydrophobicContact CD1-CZ 4.37Å; F179-N285 CarbonylContact C-O 3.53Å; F179-N285 WeakPolarHBondContact CA-O 3.37Å; F179-C286 HydrophobicContact CD1-CB 3.88Å; F179-C286 HydrophobicContact CE1-CB 3.84Å; F179-C286 WeakPolarHBondContact CE1-SG 3.43Å |
| 180 | G | 97.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 153.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F98 Y178 G283 F284 N285 | F98-G180 WeakPolarHBondContact CE1-O 3Å; Y178-G180 PolarHBondContact O-N 2.86Å; G180-G283 CarbonylContact C-O 3.49Å; G180-F284 VanDerWaalsContact O-CA 3.3Å; G180-F284 WeakPolarHBondContact O-CA 3.19Å; G180-N285 VanDerWaalsContact CA-OD1 3.27Å; G180-N285 WeakPolarHBondContact CA-OD1 3.09Å; G180-N285 PolarHBondContact N-O 2.83Å; G180-N285 PolarHBondContact N-OD1 2.76Å; G180-N285 PolarHBondContact O-N 3.38Å; G180-N285 VanDerWaalsContact O-N 3.15Å |
| 181 | M | 98 | Very high | 91.9 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.061 | C | C | . | . | trans | -131.7 | 173.9 | 156.3 | 72.1 | 177.6 | 56.9 | 0 | 0 | 109.9 | F98 I101 A102 F107 P131 L132 K183 T184 G283 | F98-M181 HydrophobicContact CD2-CE 4.35Å; F98-M181 HydrophobicContact CE1-CB 4.43Å; F98-M181 HydrophobicContact CE1-CE 4.04Å; F98-M181 HydrophobicContact CE2-CE 3.83Å; F98-M181 HydrophobicContact CZ-CB 4.45Å; F98-M181 HydrophobicContact CZ-CE 3.65Å; I101-M181 HydrophobicContact CB-CE 4.48Å; I101-M181 HydrophobicContact CG2-CE 4.06Å; A102-M181 HydrophobicContact CB-CB 3.58Å; A102-M181 HydrophobicContact CB-CE 3.98Å; F107-M181 HydrophobicContact CB-SD 3.99Å; F107-M181 HydrophobicContact CD1-SD 4.04Å; F107-M181 HydrophobicContact CG-SD 4.09Å; P131-M181 HydrophobicContact CB-CG 4.01Å; P131-M181 HydrophobicContact CB-SD 4.1Å; L132-M181 HydrophobicContact CB-CE 3.79Å; L132-M181 HydrophobicContact CB-SD 4.28Å; L132-M181 WeakPolarHBondContact O-CE 3.15Å; L132-M181 VanDerWaalsContact O-CG 3.28Å; L132-M181 WeakPolarHBondContact O-CG 3.19Å; M181-K183 PolarHBondContact O-N 2.61Å; M181-T184 HydrophobicContact CB-CG2 4.41Å; M181-T184 HydrophobicContact CG-CG2 3.59Å; M181-T184 PolarHBondContact N-OG1 2.7Å; M181-T184 VanDerWaalsContact N-OG1 3.12Å; M181-T184 WeakPolarHBondContact O-CB 3.35Å; M181-T184 WeakPolarHBondContact O-CG2 3.4Å; M181-T184 PolarHBondContact O-N 2.82Å; M181-T184 PolarHBondContact O-OG1 2.95Å; M181-G283 CarbonylContact C-O 3.56Å; M181-G283 WeakPolarHBondContact CA-O 3.41Å | ||
| 182 | W | 97.8 | Very high | 93.4 | Very high | 21 Ų | 21 | 13.1 Ų | 13.1 | 8% | 0.08 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 134.5 | 179.6 | 164.1 | -125.7 | 0 | 0 | 0 | 112.3 | F107 C108 P110 L118 K121 T184 F280 H282 | F107-W182 WeakPolarHBondContact O-CB 3.48Å; C108-W182 VanDerWaalsContact O-CD1 3.26Å; P110-W182 VanDerWaalsContact CD-NE1 3.3Å; P110-W182 HydrophobicContact CG-CH2 4.42Å; P110-W182 HydrophobicContact CG-CZ2 3.7Å; L118-W182 HydrophobicContact CD1-CE3 4.16Å; L118-W182 HydrophobicContact CD1-CH2 3.37Å; L118-W182 HydrophobicContact CD1-CZ2 4.08Å; L118-W182 HydrophobicContact CD1-CZ3 3.42Å; L118-W182 VanDerWaalsContact CD1-CZ3 3.42Å; L118-W182 HydrophobicContact CD2-CZ3 4.12Å; L118-W182 HydrophobicContact CG-CH2 3.83Å; L118-W182 HydrophobicContact CG-CZ3 3.62Å; K121-W182 HydrophobicContact CB-CH2 4.41Å; K121-W182 HydrophobicContact CB-CZ2 4.4Å; W182-T184 PolarHBondContact O-N 3.33Å; W182-F280 HydrophobicContact CZ3-CD2 4.22Å; W182-F280 HydrophobicContact CZ3-CE2 4.08Å; W182-H282 WeakPolarHBondContact CB-O 3.38Å; W182-H282 VanDerWaalsContact CE3-O 3.23Å |
| 183 | K | 96.8 | Very high | 94.4 | Very high | 11 Ų | 11 | 13.2 Ų | 13.2 | 5% | 0.048 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 3.1 | -173.2 | -60.7 | 158.4 | 61.1 | -122 | 0 | 116.1 | Y122 N125 F128 N129 P131 M181 T185 N281 | Y122-K183 HydrophobicContact CD2-CB 4.22Å; Y122-K183 HydrophobicContact CD2-CG 3.97Å; Y122-K183 HydrophobicContact CE2-CB 4.38Å; N125-K183 VanDerWaalsContact O-CE 3.32Å; N125-K183 WeakPolarHBondContact O-CE 3.46Å; F128-K183 PolarHBondContact O-NZ 2.92Å; N129-K183 PolarHBondContact O-NZ 2.78Å; P131-K183 HydrophobicContact CG-CB 4.22Å; M181-K183 PolarHBondContact O-N 2.61Å; K183-T185 PolarHBondContact O-N 3.29Å; K183-T185 PolarHBondContact O-OG1 3.07Å; K183-N281 PolarHBondContact N-O 2.76Å |
| 184 | T | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.058 | C | C | . | . | trans | -63.2 | 131.3 | 169 | 54.2 | 0 | 0 | 0 | 0 | 109.2 | Q74 P131 L132 Y133 M181 W182 F280 N281 | Q74-T184 VanDerWaalsContact OE1-CA 3.31Å; P131-T184 HydrophobicContact CB-CG2 3.91Å; P131-T184 HydrophobicContact CG-CG2 4.15Å; L132-T184 WeakPolarHBondContact O-CG2 3.43Å; Y133-T184 HydrophobicContact CD2-CG2 3.9Å; Y133-T184 HydrophobicContact CG-CG2 4.06Å; M181-T184 HydrophobicContact CB-CG2 4.41Å; M181-T184 HydrophobicContact CG-CG2 3.59Å; M181-T184 PolarHBondContact N-OG1 2.7Å; M181-T184 VanDerWaalsContact N-OG1 3.12Å; M181-T184 WeakPolarHBondContact O-CB 3.35Å; M181-T184 WeakPolarHBondContact O-CG2 3.4Å; M181-T184 PolarHBondContact O-N 2.82Å; M181-T184 PolarHBondContact O-OG1 2.95Å; W182-T184 PolarHBondContact O-N 3.33Å; T184-F280 CarbonylContact O-C 3.02Å; T184-F280 VanDerWaalsContact O-CA 3.24Å; T184-F280 WeakPolarHBondContact O-CA 3.48Å; T184-N281 PolarHBondContact O-N 2.93Å; T184-N281 WeakPolarHBondContact OG1-CB 3.44Å; T184-N281 PolarHBondContact OG1-ND2 2.99Å | ||
| 185 | T | 97.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 11 Ų | 11 | 2% | 0.018 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 140.4 | -158 | -62.5 | 0 | 0 | 0 | 0 | 110.6 | Q74 Y122 K183 L245 G279 | Q74-T185 PolarHBondContact NE2-O 3.44Å; Y122-T185 VanDerWaalsContact OH-CG2 3.26Å; Y122-T185 WeakPolarHBondContact OH-CG2 3.35Å; Y122-T185 PolarHBondContact OH-OG1 2.78Å; Y122-T185 VanDerWaalsContact OH-OG1 3.09Å; K183-T185 PolarHBondContact O-N 3.29Å; K183-T185 PolarHBondContact O-OG1 3.07Å; T185-L245 HydrophobicContact CG2-CD1 3.92Å; T185-L245 HydrophobicContact CG2-CD2 3.55Å; T185-L245 HydrophobicContact CG2-CG 4.42Å; T185-G279 WeakPolarHBondContact CA-O 3.27Å |
| 186 | F | 97.4 | Very high | 96.5 | Very high | 27 Ų | 27 | 10.2 Ų | 10.2 | 12% | 0.118 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 130.1 | 164.2 | 54.9 | -79.7 | 0 | 0 | 0 | 109.2 | K207 W209 H277 A278 G279 | F186-K207 HydrophobicContact CE1-CD 3.86Å; F186-K207 HydrophobicContact CE1-CG 3.84Å; F186-K207 HydrophobicContact CZ-CD 4.18Å; F186-K207 HydrophobicContact CZ-CG 4.29Å; F186-W209 HydrophobicContact CE2-CD2 4.04Å; F186-W209 AromaticContact CE2-CE3 3.53Å; F186-W209 HydrophobicContact CE2-CE3 3.53Å; F186-W209 HydrophobicContact CE2-CH2 4.35Å; F186-W209 AromaticContact CE2-CZ3 3.71Å; F186-W209 HydrophobicContact CE2-CZ3 3.71Å; F186-W209 AromaticContact CZ-CD2 3.69Å; F186-W209 HydrophobicContact CZ-CD2 3.69Å; F186-W209 AromaticContact CZ-CE3 3.7Å; F186-W209 HydrophobicContact CZ-CE3 3.7Å; F186-W209 HydrophobicContact CZ-CG 4.18Å; F186-W209 HydrophobicContact CZ-CH2 4.38Å; F186-W209 HydrophobicContact CZ-CZ2 4.39Å; F186-W209 HydrophobicContact CZ-CZ3 4.05Å; F186-H277 AromaticContact CE2-CD2 3.99Å; F186-A278 WeakPolarHBondContact O-CA 3.46Å; F186-G279 WeakPolarHBondContact CD1-O 3.29Å; F186-G279 VanDerWaalsContact CE2-N 3.32Å; F186-G279 PolarHBondContact N-O 2.81Å; F186-G279 PolarHBondContact O-N 3.1Å |
| 187 | A | 97.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 8.6 Ų | 8.6 | 1% | 0.008 | 4% | 0.04 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 171.8 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | H189 K242 L245 H277 | A187-H189 PolarHBondContact O-N 3.14Å; A187-H189 PolarHBondContact O-ND1 3.32Å; A187-K242 VanDerWaalsContact CB-O 3.25Å; A187-K242 WeakPolarHBondContact CB-O 3.4Å; A187-L245 HydrophobicContact CB-CD2 3.57Å; A187-H277 VanDerWaalsContact O-O 3.04Å |
| 188 | W | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 8.5 Ų | 8.5 | 0% | 0.004 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 108.6 | 176.7 | -76.1 | 104.6 | 0 | 0 | 0 | 111.5 | Y210 V212 L220 T244 I246 L251 Y276 H277 A278 | W188-Y210 HydrophobicContact CZ2-CG 4.41Å; W188-V212 HydrophobicContact CH2-CG2 3.94Å; W188-V212 HydrophobicContact CZ3-CB 4.41Å; W188-V212 HydrophobicContact CZ3-CG2 3.86Å; W188-L220 HydrophobicContact CD2-CD2 4.09Å; W188-L220 HydrophobicContact CE3-CD2 3.7Å; W188-L220 HydrophobicContact CZ3-CD2 4.23Å; W188-T244 PolarHBondContact N-O 3.07Å; W188-I246 PolarHBondContact NE1-O 3.07Å; W188-L251 HydrophobicContact CH2-CD1 3.92Å; W188-L251 HydrophobicContact CZ2-CD1 3.5Å; W188-L251 VanDerWaalsContact CZ2-CD1 3.5Å; W188-Y276 WeakPolarHBondContact CZ3-O 3.48Å; W188-H277 WeakPolarHBondContact CA-O 3.08Å; W188-A278 HydrophobicContact CB-CB 4.43Å; W188-A278 HydrophobicContact CD2-CB 3.49Å; W188-A278 VanDerWaalsContact CD2-CB 3.49Å; W188-A278 HydrophobicContact CE3-CB 3.91Å; W188-A278 HydrophobicContact CG-CB 3.74Å; W188-A278 HydrophobicContact CH2-CB 4.45Å; W188-A278 HydrophobicContact CZ2-CB 4.06Å; W188-A278 HydrophobicContact CZ3-CB 4.38Å |
| 189 | H | 97.8 | Very high | 96.8 | Very high | 11 Ų | 11 | 7.3 Ų | 7.3 | 5% | 0.051 | 4% | 0.035 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 168.5 | 176.6 | 71.8 | -62.7 | 0 | 0 | 0 | 111.7 | A187 K242 Y276 H277 | A187-H189 PolarHBondContact O-N 3.14Å; A187-H189 PolarHBondContact O-ND1 3.32Å; H189-K242 HydrophobicContact CB-CG 4.15Å; H189-K242 WeakPolarHBondContact CD2-CE 3.4Å; H189-K242 PolarHBondContact CD2-NZ 3.42Å; H189-K242 VanDerWaalsContact CD2-NZ 3.28Å; H189-K242 WeakPolarHBondContact NE2-CE 3.34Å; H189-K242 PolarHBondContact NE2-NZ 3.28Å; H189-Y276 VanDerWaalsContact C-CD1 3.5Å; H189-Y276 WeakPolarHBondContact O-CA 3.49Å; H189-H277 AromaticContact CE1-CD2 3.91Å; H189-H277 AromaticContact CE1-CE1 3.84Å; H189-H277 AromaticContact CE1-NE2 3.16Å; H189-H277 PolarHBondContact CE1-NE2 2.97Å; H189-H277 PolarHBondContact N-O 2.99Å; H189-H277 VanDerWaalsContact N-O 3.12Å; H189-H277 AromaticContact ND1-NE2 3.76Å; H189-H277 AromaticContact NE2-NE2 3.68Å; H189-H277 PolarHBondContact O-N 3.4Å |
| 190 | T | 97.5 | Very high | 96.8 | Very high | 3 Ų | 3 | 7.8 Ų | 7.8 | 2% | 0.018 | 4% | 0.037 | C | C | . | . | trans | -106.9 | 161.4 | 158.2 | 51.5 | 0 | 0 | 0 | 0 | 107.9 | D194 R240 Y274 Y276 | T190-D194 WeakPolarHBondContact CB-OD1 3.41Å; T190-D194 PolarHBondContact OG1-OD1 2.87Å; T190-R240 PolarHBondContact OG1-NH1 2.61Å; T190-Y274 HydrophobicContact CG2-CD2 4.05Å; T190-Y276 HydrophobicContact CG2-CD1 3.91Å; T190-Y276 HydrophobicContact CG2-CD2 3.74Å; T190-Y276 HydrophobicContact CG2-CE1 3.9Å; T190-Y276 HydrophobicContact CG2-CE2 3.79Å; T190-Y276 HydrophobicContact CG2-CG 3.82Å | ||
| 191 | E | 94.8 | Very high | 96.8 | Very high | 17 Ų | 17 | 7.8 Ų | 7.8 | 8% | 0.079 | 4% | 0.037 | C | C | . | . | trans | -59.8 | 158 | 174 | -61.9 | -56.4 | 157.7 | 0 | 0 | 112.5 | D194 L195 S197 R240 H277 N291 | E191-D194 VanDerWaalsContact O-CA 3.27Å; E191-D194 WeakPolarHBondContact O-CA 3.38Å; E191-D194 PolarHBondContact O-N 3.15Å; E191-L195 HydrophobicContact CB-CB 4.16Å; E191-L195 WeakPolarHBondContact CB-O 3.45Å; E191-S197 VanDerWaalsContact CD-CB 3.45Å; E191-S197 VanDerWaalsContact CD-OG 3.28Å; E191-S197 WeakPolarHBondContact OE1-CB 3.26Å; E191-S197 PolarHBondContact OE1-OG 2.84Å; E191-R240 PolarHBondContact O-NH1 2.88Å; E191-H277 IonicContact OE1-CE1 3.66Å; E191-H277 PolarHBondContact OE1-CE1 3.36Å; E191-H277 IonicContact OE1-NE2 3.88Å; E191-N291 VanDerWaalsContact CD-ND2 3.31Å; E191-N291 WeakPolarHBondContact CG-ND2 3.43Å; E191-N291 PolarHBondContact OE2-ND2 3.06Å | ||
| 192 | D | 91 | Very high | 96.8 | Very high | 26 Ų | 26 | 8.2 Ų | 8.2 | 14% | 0.139 | 4% | 0.039 | C | C | . | . | G | 310 helix | trans | -65.7 | 142 | 176.1 | -76.6 | -64.6 | 0 | 0 | 0 | 111.1 | D194 L195 V314 | D192-D194 PolarHBondContact O-N 3.27Å; D192-L195 WeakPolarHBondContact O-CB 3.38Å; D192-L195 WeakPolarHBondContact O-CD1 3.41Å; D192-L195 WeakPolarHBondContact O-CG 3.44Å; D192-L195 PolarHBondContact O-N 3.01Å; D192-V314 HydrophobicContact CB-CB 4Å; D192-V314 HydrophobicContact CB-CG1 4.14Å; D192-V314 HydrophobicContact CB-CG2 4.43Å |
| 193 | M | 91.8 | Very high | 96.8 | Very high | 8 Ų | 8 | 8.8 Ų | 8.8 | 4% | 0.039 | 4% | 0.042 | C | C | . | . | G | 310 helix | trans | 51 | 18.8 | -163.2 | -57.9 | -66.1 | -58.6 | 0 | 0 | 115.1 | L195 W297 G301 L306 I316 M318 | M193-L195 HydrophobicContact CB-CG 4.43Å; M193-L195 PolarHBondContact O-N 2.77Å; M193-W297 HydrophobicContact CB-CZ2 3.93Å; M193-W297 PolarHBondContact O-NE1 2.86Å; M193-G301 WeakPolarHBondContact CE-O 3.25Å; M193-L306 HydrophobicContact SD-CD1 3.74Å; M193-L306 HydrophobicContact SD-CD2 3.73Å; M193-L306 HydrophobicContact SD-CG 4.35Å; M193-I316 HydrophobicContact CB-CD1 4.23Å; M193-I316 HydrophobicContact CE-CB 4.42Å; M193-I316 HydrophobicContact CG-CB 3.91Å; M193-I316 HydrophobicContact CG-CD1 3.8Å; M193-I316 HydrophobicContact CG-CG1 3.71Å; M193-I316 HydrophobicContact SD-CB 4.47Å; M193-M318 HydrophobicContact CE-CG 4.2Å; M193-M318 HydrophobicContact CE-SD 3.92Å |
| 194 | D | 96.1 | Very high | 96.8 | Very high | 7 Ų | 7 | 10 Ų | 10 | 4% | 0.037 | 6% | 0.058 | C | C | . | . | G | 310 helix | trans | 54.2 | 37 | -173.9 | -60.2 | -40 | 0 | 0 | 0 | 113.6 | T190 E191 D192 R240 P273 W297 A304 | T190-D194 WeakPolarHBondContact CB-OD1 3.41Å; T190-D194 PolarHBondContact OG1-OD1 2.87Å; E191-D194 VanDerWaalsContact O-CA 3.27Å; E191-D194 WeakPolarHBondContact O-CA 3.38Å; E191-D194 PolarHBondContact O-N 3.15Å; D192-D194 PolarHBondContact O-N 3.27Å; D194-R240 IonicContact OD1-CZ 3.83Å; D194-R240 IonicContact OD1-NH1 2.56Å; D194-R240 PolarHBondContact OD1-NH1 2.85Å; D194-R240 IonicContact OD1-NH2 2.7Å; D194-R240 PolarHBondContact OD1-NH2 2.91Å; D194-R240 IonicContact OD2-NH2 3.56Å; D194-R240 PolarHBondContact OD2-NH2 2.88Å; D194-P273 VanDerWaalsContact O-CA 3.24Å; D194-P273 WeakPolarHBondContact O-CA 3.48Å; D194-P273 VanDerWaalsContact O-CB 3.3Å; D194-P273 WeakPolarHBondContact O-CB 3.36Å; D194-W297 VanDerWaalsContact O-CD1 3.24Å; D194-A304 HydrophobicContact CB-CB 4.36Å; D194-A304 WeakPolarHBondContact OD2-CA 3.39Å; D194-A304 WeakPolarHBondContact OD2-CB 3.21Å |
| 195 | L | 96.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | trans | -61.2 | 175.5 | 173.4 | -78.4 | 163.6 | 0 | 0 | 0 | 113.9 | L158 V172 E191 D192 M193 N291 F292 A293 W297 I316 | L158-L195 HydrophobicContact CD2-CD1 4.35Å; L158-L195 HydrophobicContact CD2-CD2 4.41Å; V172-L195 HydrophobicContact CG1-CD1 3.73Å; E191-L195 HydrophobicContact CB-CB 4.16Å; E191-L195 WeakPolarHBondContact CB-O 3.45Å; D192-L195 WeakPolarHBondContact O-CB 3.38Å; D192-L195 WeakPolarHBondContact O-CD1 3.41Å; D192-L195 WeakPolarHBondContact O-CG 3.44Å; D192-L195 PolarHBondContact O-N 3.01Å; M193-L195 HydrophobicContact CB-CG 4.43Å; M193-L195 PolarHBondContact O-N 2.77Å; L195-N291 HydrophobicContact CB-CB 4.06Å; L195-N291 HydrophobicContact CD1-CB 3.75Å; L195-N291 HydrophobicContact CG-CB 4.46Å; L195-F292 WeakPolarHBondContact CD2-O 3.35Å; L195-A293 HydrophobicContact CD2-CB 3.87Å; L195-W297 HydrophobicContact CD2-CD2 3.63Å; L195-W297 HydrophobicContact CD2-CE3 4.21Å; L195-W297 HydrophobicContact CD2-CG 4.01Å; L195-W297 HydrophobicContact CD2-CH2 4.19Å; L195-W297 HydrophobicContact CD2-CZ2 3.64Å; L195-W297 HydrophobicContact CD2-CZ3 4.46Å; L195-W297 HydrophobicContact CG-CZ2 4.02Å; L195-I316 HydrophobicContact CD1-CD1 3.77Å | ||
| 196 | Y | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 162 | 157.6 | -60.3 | -108.6 | 0 | 0 | 0 | 109.5 | I32 E36 T271 F272 P273 N291 F292 T294 R296 W297 | I32-Y196 HydrophobicContact CG2-CE1 4.33Å; E36-Y196 WeakPolarHBondContact OE1-CE1 3.4Å; E36-Y196 PolarHBondContact OE1-OH 2.93Å; Y196-T271 WeakPolarHBondContact CA-O 3.5Å; Y196-T271 WeakPolarHBondContact CB-O 3.47Å; Y196-T271 WeakPolarHBondContact CD1-O 3.34Å; Y196-F272 AromaticContact CD1-CD1 4Å; Y196-F272 HydrophobicContact CD1-CD1 4Å; Y196-F272 AromaticContact CE1-CD1 3.55Å; Y196-F272 HydrophobicContact CE1-CD1 3.55Å; Y196-F272 HydrophobicContact CE1-CE1 4.09Å; Y196-F272 HydrophobicContact CE1-CG 4.41Å; Y196-P273 VanDerWaalsContact CD1-CD 3.49Å; Y196-P273 HydrophobicContact CD1-CG 4.39Å; Y196-P273 HydrophobicContact CD2-CG 3.59Å; Y196-P273 VanDerWaalsContact CE1-CD 3.46Å; Y196-P273 HydrophobicContact CE1-CG 4.22Å; Y196-P273 HydrophobicContact CE2-CG 3.39Å; Y196-P273 HydrophobicContact CG-CG 4.08Å; Y196-P273 VanDerWaalsContact CZ-CD 3.48Å; Y196-N291 VanDerWaalsContact O-CA 3.26Å; Y196-N291 WeakPolarHBondContact O-CA 3.4Å; Y196-N291 WeakPolarHBondContact O-CB 2.95Å; Y196-N291 PolarHBondContact O-ND2 3.49Å; Y196-F292 VanDerWaalsContact CB-CE1 3.45Å; Y196-F292 WeakPolarHBondContact CB-O 3.4Å; Y196-F292 AromaticContact CD1-CE2 3.7Å; Y196-F292 HydrophobicContact CD1-CE2 3.7Å; Y196-F292 AromaticContact CD1-CZ 3.64Å; Y196-F292 HydrophobicContact CD1-CZ 3.64Å; Y196-F292 HydrophobicContact CD2-CD2 4.28Å; Y196-F292 HydrophobicContact CD2-CE2 4.09Å; Y196-F292 WeakPolarHBondContact CD2-O 3.42Å; Y196-F292 HydrophobicContact CE1-CE2 4.37Å; Y196-F292 HydrophobicContact CG-CD2 4.04Å; Y196-F292 HydrophobicContact CG-CE1 4.27Å; Y196-F292 AromaticContact CG-CE2 3.54Å; Y196-F292 HydrophobicContact CG-CE2 3.54Å; Y196-F292 AromaticContact CG-CZ 3.68Å; Y196-F292 HydrophobicContact CG-CZ 3.68Å; Y196-F292 PolarHBondContact N-O 3.18Å; Y196-F292 VanDerWaalsContact N-O 3.12Å; Y196-F292 PolarHBondContact O-N 3.36Å; Y196-F292 VanDerWaalsContact O-N 3.13Å; Y196-T294 HydrophobicContact CE1-CG2 4.45Å; Y196-T294 HydrophobicContact CE2-CG2 3.78Å; Y196-T294 WeakPolarHBondContact CE2-OG1 3.41Å; Y196-T294 PolarHBondContact OH-OG1 2.91Å; Y196-R296 PolarHBondContact OH-NH2 3.36Å; Y196-W297 HydrophobicContact CD2-CB 4.35Å; Y196-W297 HydrophobicContact CE2-CB 3.98Å |
| 197 | S | 97.1 | Very high | 96.9 | Very high | 6 Ų | 6 | 13.4 Ų | 13.4 | 4% | 0.042 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 149.4 | 158.3 | 61.2 | 0 | 0 | 0 | 0 | 111.6 | E191 I270 T271 T290 | E191-S197 VanDerWaalsContact CD-CB 3.45Å; E191-S197 VanDerWaalsContact CD-OG 3.28Å; E191-S197 WeakPolarHBondContact OE1-CB 3.26Å; E191-S197 PolarHBondContact OE1-OG 2.84Å; S197-I270 WeakPolarHBondContact O-CA 3.39Å; S197-T271 PolarHBondContact N-O 2.83Å; S197-T271 PolarHBondContact N-OG1 3.16Å; S197-T271 VanDerWaalsContact N-OG1 3.07Å; S197-T271 PolarHBondContact O-N 3.26Å; S197-T271 VanDerWaalsContact OG-CG2 3.23Å; S197-T271 WeakPolarHBondContact OG-CG2 3.43Å; S197-T271 PolarHBondContact OG-OG1 3.46Å; S197-T290 WeakPolarHBondContact CA-O 3.49Å |
| 198 | I | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 133.1 | 168.9 | -179 | 169.7 | 0 | 0 | 0 | 107.9 | F28 W149 I151 L154 F268 I270 S289 T290 F292 | F28-I198 HydrophobicContact CE2-CD1 3.82Å; F28-I198 HydrophobicContact CZ-CD1 4.3Å; W149-I198 HydrophobicContact CE3-CD1 3.91Å; W149-I198 HydrophobicContact CZ3-CD1 4.28Å; I151-I198 HydrophobicContact CG1-CD1 4.44Å; I151-I198 HydrophobicContact CG1-CG2 4.4Å; I151-I198 HydrophobicContact CG2-CG2 4.31Å; L154-I198 HydrophobicContact CD1-CG2 3.66Å; L154-I198 HydrophobicContact CD2-CD1 4.16Å; L154-I198 HydrophobicContact CD2-CG2 4.45Å; I198-F268 HydrophobicContact CD1-CD1 3.6Å; I198-F268 HydrophobicContact CD1-CE1 3.73Å; I198-F268 HydrophobicContact CG1-CD1 3.75Å; I198-F268 HydrophobicContact CG1-CE1 4.26Å; I198-I270 HydrophobicContact CB-CD1 3.82Å; I198-I270 HydrophobicContact CD1-CD1 4.07Å; I198-I270 HydrophobicContact CG1-CD1 3.7Å; I198-S289 WeakPolarHBondContact O-CA 3.5Å; I198-S289 WeakPolarHBondContact O-CB 3.31Å; I198-T290 HydrophobicContact CG2-CG2 4.3Å; I198-T290 PolarHBondContact N-O 3.33Å; I198-T290 VanDerWaalsContact N-O 3.15Å; I198-T290 PolarHBondContact O-N 2.58Å; I198-F292 HydrophobicContact CB-CD1 4.21Å; I198-F292 HydrophobicContact CB-CE1 4.01Å; I198-F292 HydrophobicContact CG2-CD1 4.19Å |
| 199 | N | 98.3 | Very high | 96.9 | Very high | 10 Ų | 10 | 14.4 Ų | 14.4 | 5% | 0.053 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 125.1 | 172.7 | -176.4 | -95.1 | 0 | 0 | 0 | 110.8 | W209 Q263 F268 M269 E288 S289 | N199-W209 HydrophobicContact CB-CH2 4.06Å; N199-W209 HydrophobicContact CB-CZ2 4.02Å; N199-Q263 PolarHBondContact O-NE2 3.01Å; N199-Q263 VanDerWaalsContact O-NE2 3.16Å; N199-Q263 PolarHBondContact OD1-NE2 3.23Å; N199-Q263 PolarHBondContact OD1-OE1 3.11Å; N199-F268 CarbonylContact O-C 3.54Å; N199-F268 WeakPolarHBondContact O-CA 3.43Å; N199-M269 PolarHBondContact N-O 3.41Å; N199-M269 PolarHBondContact O-N 3.28Å; N199-E288 CarbonylContact C-O 3.55Å; N199-E288 WeakPolarHBondContact CA-O 3.43Å; N199-E288 PolarHBondContact ND2-O 3.45Å; N199-S289 WeakPolarHBondContact ND2-CB 3.48Å; N199-S289 PolarHBondContact ND2-OG 2.91Å |
| 200 | Y | 98.3 | Very high | 97 | Very high | 11 Ų | 11 | 14 Ų | 14 | 4% | 0.043 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 131.5 | 176.4 | -179.5 | -103.8 | 0 | 0 | 0 | 110.4 | W54 P56 H202 G266 F268 A287 E288 | W54-Y200 HydrophobicContact CH2-CE2 4.2Å; W54-Y200 AromaticContact CZ3-CE2 3.75Å; W54-Y200 HydrophobicContact CZ3-CE2 3.75Å; W54-Y200 AromaticContact CZ3-CZ 3.9Å; P56-Y200 WeakPolarHBondContact CD-OH 3.4Å; P56-Y200 HydrophobicContact CG-CD1 4.29Å; P56-Y200 HydrophobicContact CG-CE1 3.46Å; P56-Y200 VanDerWaalsContact CG-CE1 3.46Å; Y200-H202 HydrophobicContact CD1-CB 4.49Å; Y200-H202 AromaticContact CD1-CD2 3.67Å; Y200-H202 AromaticContact CD1-CE1 3.71Å; Y200-H202 AromaticContact CD1-CG 3.77Å; Y200-H202 AromaticContact CD1-ND1 3.8Å; Y200-H202 AromaticContact CD1-NE2 3.61Å; Y200-H202 HydrophobicContact CE1-CB 4.32Å; Y200-H202 AromaticContact CE1-CE1 3.94Å; Y200-H202 AromaticContact CE1-CG 3.84Å; Y200-H202 AromaticContact CE1-ND1 3.66Å; Y200-G266 WeakPolarHBondContact CE2-O 3.33Å; Y200-F268 AromaticContact CD2-CD1 3.75Å; Y200-F268 HydrophobicContact CD2-CD1 3.75Å; Y200-F268 AromaticContact CD2-CD2 3.69Å; Y200-F268 HydrophobicContact CD2-CD2 3.69Å; Y200-F268 AromaticContact CD2-CE1 3.67Å; Y200-F268 HydrophobicContact CD2-CE1 3.67Å; Y200-F268 AromaticContact CD2-CE2 3.58Å; Y200-F268 HydrophobicContact CD2-CE2 3.58Å; Y200-F268 AromaticContact CD2-CG 3.79Å; Y200-F268 HydrophobicContact CD2-CG 3.79Å; Y200-F268 AromaticContact CD2-CZ 3.59Å; Y200-F268 HydrophobicContact CD2-CZ 3.59Å; Y200-F268 HydrophobicContact CE2-CD2 4.13Å; Y200-F268 AromaticContact CE2-CE2 3.82Å; Y200-F268 HydrophobicContact CE2-CE2 3.82Å; Y200-F268 HydrophobicContact CE2-CZ 4.11Å; Y200-F268 HydrophobicContact CG-CD1 4.17Å; Y200-F268 AromaticContact CG-CE1 3.96Å; Y200-F268 HydrophobicContact CG-CE1 3.96Å; Y200-F268 HydrophobicContact CG-CZ 4.18Å; Y200-A287 CarbonylContact O-C 3.5Å; Y200-A287 WeakPolarHBondContact O-CA 3.28Å; Y200-A287 WeakPolarHBondContact O-CB 3.41Å; Y200-E288 PolarHBondContact N-O 2.83Å; Y200-E288 PolarHBondContact O-N 3.2Å |
| 201 | L | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 95.7 | 179.1 | -170.3 | 62.4 | 0 | 0 | 0 | 109.7 | F203 K207 Q263 A265 G266 E267 N285 A287 | L201-F203 PolarHBondContact O-N 3.25Å; L201-K207 HydrophobicContact CD2-CB 4.32Å; L201-Q263 HydrophobicContact CB-CG 4.06Å; L201-Q263 HydrophobicContact CD2-CG 4.18Å; L201-Q263 WeakPolarHBondContact CD2-O 3.34Å; L201-A265 WeakPolarHBondContact O-CA 3.49Å; L201-G266 PolarHBondContact O-N 2.97Å; L201-E267 PolarHBondContact N-O 2.81Å; L201-N285 HydrophobicContact CD1-CB 4.02Å; L201-A287 HydrophobicContact CD1-CB 3.84Å |
| 202 | H | 97.6 | Very high | 97.1 | Very high | 8 Ų | 8 | 13.2 Ų | 13.2 | 4% | 0.037 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59 | -46.9 | -173.1 | -77.5 | -90.6 | 0 | 0 | 0 | 113.7 | Y60 Y142 Y200 C286 E288 | Y60-H202 HydrophobicContact CE1-CB 3.95Å; Y60-H202 AromaticContact CE1-ND1 3.56Å; Y60-H202 HydrophobicContact CE2-CB 4.49Å; Y60-H202 AromaticContact CZ-ND1 3.61Å; Y60-H202 PolarHBondContact OH-ND1 2.59Å; Y142-H202 AromaticContact CD2-CE1 3.79Å; Y142-H202 AromaticContact CE2-CE1 3.58Å; Y142-H202 AromaticContact CE2-NE2 3.76Å; Y200-H202 HydrophobicContact CD1-CB 4.49Å; Y200-H202 AromaticContact CD1-CD2 3.67Å; Y200-H202 AromaticContact CD1-CE1 3.71Å; Y200-H202 AromaticContact CD1-CG 3.77Å; Y200-H202 AromaticContact CD1-ND1 3.8Å; Y200-H202 AromaticContact CD1-NE2 3.61Å; Y200-H202 HydrophobicContact CE1-CB 4.32Å; Y200-H202 AromaticContact CE1-CE1 3.94Å; Y200-H202 AromaticContact CE1-CG 3.84Å; Y200-H202 AromaticContact CE1-ND1 3.66Å; H202-C286 PolarHBondContact N-O 2.99Å; H202-E288 IonicContact CE1-OE2 3.73Å; H202-E288 WeakPolarHBondContact NE2-CB 3.24Å; H202-E288 IonicContact NE2-OE2 3.08Å; H202-E288 PolarHBondContact NE2-OE2 3.17Å |
| 203 | F | 97.1 | Very high | 97.3 | Very high | 34 Ų | 34 | 12.6 Ų | 12.6 | 15% | 0.149 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 166.8 | -179 | 60.4 | -98.1 | 0 | 0 | 0 | 111.8 | Y60 I63 L141 L201 F284 N285 C286 | Y60-F203 AromaticContact CD1-CD1 3.84Å; Y60-F203 HydrophobicContact CD1-CD1 3.84Å; Y60-F203 HydrophobicContact CD1-CE1 4.02Å; Y60-F203 HydrophobicContact CD2-CB 4.28Å; Y60-F203 AromaticContact CD2-CD1 3.76Å; Y60-F203 HydrophobicContact CD2-CD1 3.76Å; Y60-F203 HydrophobicContact CD2-CG 4.39Å; Y60-F203 HydrophobicContact CE1-CD1 4.19Å; Y60-F203 HydrophobicContact CE2-CB 4.43Å; Y60-F203 HydrophobicContact CE2-CD1 4.11Å; Y60-F203 AromaticContact CG-CD1 3.61Å; Y60-F203 HydrophobicContact CG-CD1 3.61Å; Y60-F203 HydrophobicContact CG-CE1 4.06Å; I63-F203 HydrophobicContact CD1-CD1 4.42Å; I63-F203 HydrophobicContact CD1-CE1 3.27Å; I63-F203 HydrophobicContact CD1-CE2 4.31Å; I63-F203 HydrophobicContact CD1-CZ 3.2Å; L141-F203 HydrophobicContact CD1-CE1 4.32Å; L201-F203 PolarHBondContact O-N 3.25Å; F203-F284 HydrophobicContact CD2-CE1 4.35Å; F203-F284 AromaticContact CE2-CE1 3.67Å; F203-F284 HydrophobicContact CE2-CE1 3.67Å; F203-F284 AromaticContact CE2-CZ 3.9Å; F203-F284 HydrophobicContact CE2-CZ 3.9Å; F203-N285 WeakPolarHBondContact O-CA 3.41Å; F203-N285 WeakPolarHBondContact O-CB 3.43Å; F203-C286 HydrophobicContact CD1-CB 4.23Å; F203-C286 HydrophobicContact CD2-CB 4.38Å; F203-C286 HydrophobicContact CE1-CB 3.49Å; F203-C286 VanDerWaalsContact CE1-CB 3.49Å; F203-C286 HydrophobicContact CE2-CB 3.66Å; F203-C286 HydrophobicContact CZ-CB 3.15Å; F203-C286 PolarHBondContact O-N 2.7Å; F203-C286 VanDerWaalsContact O-N 3.11Å |
| 204 | G | 97 | Very high | 97.4 | Very high | 37 Ų | 37 | 12.4 Ų | 12.4 | 38% | 0.381 | 7% | 0.072 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 91.9 | -159.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F284 | G204-F284 WeakPolarHBondContact CA-O 3.41Å |
| 205 | E | 98 | Very high | 97.2 | Very high | 80 Ų | 80 | 15.8 Ų | 15.8 | 37% | 0.374 | 9% | 0.088 | S | C | . | . | S | Bend | trans | -70 | 151.3 | -171.3 | -67.1 | -65.9 | 140.9 | 0 | 0 | 113.2 | H282 F284 N285 | E205-H282 HydrophobicContact CB-CB 4.17Å; E205-F284 PolarHBondContact N-O 2.72Å; E205-N285 WeakPolarHBondContact O-CB 3.24Å; E205-N285 PolarHBondContact O-ND2 3.07Å |
| 206 | P | 98.4 | Very high | 97.2 | Very high | 17 Ų | 17 | 17.6 Ų | 17.6 | 11% | 0.11 | 10% | 0.096 | C | C | . | . | trans | -63 | 166.5 | -173.5 | -22.3 | 33.1 | 0 | 0 | 0 | 115.6 | F115 T262 Q263 E264 H282 | F115-P206 HydrophobicContact CE1-CG 4.31Å; F115-P206 HydrophobicContact CZ-CG 4.37Å; P206-T262 HydrophobicContact CB-CG2 3.44Å; P206-T262 VanDerWaalsContact CB-CG2 3.44Å; P206-T262 HydrophobicContact CG-CG2 4.42Å; P206-Q263 CarbonylContact C-O 3.52Å; P206-Q263 VanDerWaalsContact CA-O 3.28Å; P206-Q263 WeakPolarHBondContact CA-O 3.34Å; P206-Q263 VanDerWaalsContact CB-O 3.3Å; P206-Q263 WeakPolarHBondContact CB-O 3.17Å; P206-E264 HydrophobicContact CB-CG 4.42Å; P206-E264 HydrophobicContact CG-CG 4.32Å; P206-H282 VanDerWaalsContact O-CB 3.28Å; P206-H282 WeakPolarHBondContact O-CB 3.3Å; P206-H282 PolarHBondContact O-CD2 3.12Å; P206-H282 PolarHBondContact O-N 3.21Å | ||
| 207 | K | 98.6 | Very high | 97 | Very high | 4 Ų | 4 | 17.6 Ų | 17.6 | 2% | 0.017 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 115.9 | 176 | -170.7 | -172.2 | -42.9 | -72.4 | 0 | 109.2 | F186 L201 W209 Q263 N281 | F186-K207 HydrophobicContact CE1-CD 3.86Å; F186-K207 HydrophobicContact CE1-CG 3.84Å; F186-K207 HydrophobicContact CZ-CD 4.18Å; F186-K207 HydrophobicContact CZ-CG 4.29Å; L201-K207 HydrophobicContact CD2-CB 4.32Å; K207-W209 HydrophobicContact CD-CZ2 3.72Å; K207-W209 VanDerWaalsContact O-CD1 3.31Å; K207-Q263 HydrophobicContact CB-CB 4.38Å; K207-Q263 PolarHBondContact N-O 2.91Å; K207-Q263 PolarHBondContact O-N 3.18Å; K207-N281 WeakPolarHBondContact CG-OD1 3.46Å; K207-N281 PolarHBondContact NZ-OD1 3.06Å |
| 208 | S | 98.4 | Very high | 96.9 | Very high | 11 Ų | 11 | 21.9 Ų | 21.9 | 8% | 0.077 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 133.3 | 174.2 | -76.5 | 0 | 0 | 0 | 0 | 111.1 | T262 G279 F280 H282 | S208-T262 PolarHBondContact OG-OG1 3.34Å; S208-G279 CarbonylContact O-C 3.59Å; S208-G279 WeakPolarHBondContact O-CA 3.48Å; S208-F280 PolarHBondContact N-O 3.08Å; S208-F280 PolarHBondContact O-N 2.84Å; S208-H282 PolarHBondContact OG-NE2 2.94Å |
| 209 | W | 98.5 | Very high | 96.8 | Very high | 11 Ų | 11 | 25.5 Ų | 25.5 | 4% | 0.042 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 145.2 | 179.9 | -63.2 | 77.9 | 0 | 0 | 0 | 111 | L45 F186 N199 K207 K260 I261 M269 T271 H277 | L45-W209 HydrophobicContact CD1-CE3 4.14Å; L45-W209 HydrophobicContact CD1-CZ3 4.48Å; L45-W209 HydrophobicContact CD2-CB 3.68Å; L45-W209 HydrophobicContact CD2-CD2 4.39Å; L45-W209 HydrophobicContact CD2-CE3 4.31Å; L45-W209 HydrophobicContact CD2-CG 4.18Å; F186-W209 HydrophobicContact CE2-CD2 4.04Å; F186-W209 AromaticContact CE2-CE3 3.53Å; F186-W209 HydrophobicContact CE2-CE3 3.53Å; F186-W209 HydrophobicContact CE2-CH2 4.35Å; F186-W209 AromaticContact CE2-CZ3 3.71Å; F186-W209 HydrophobicContact CE2-CZ3 3.71Å; F186-W209 AromaticContact CZ-CD2 3.69Å; F186-W209 HydrophobicContact CZ-CD2 3.69Å; F186-W209 AromaticContact CZ-CE3 3.7Å; F186-W209 HydrophobicContact CZ-CE3 3.7Å; F186-W209 HydrophobicContact CZ-CG 4.18Å; F186-W209 HydrophobicContact CZ-CH2 4.38Å; F186-W209 HydrophobicContact CZ-CZ2 4.39Å; F186-W209 HydrophobicContact CZ-CZ3 4.05Å; N199-W209 HydrophobicContact CB-CH2 4.06Å; N199-W209 HydrophobicContact CB-CZ2 4.02Å; K207-W209 HydrophobicContact CD-CZ2 3.72Å; K207-W209 VanDerWaalsContact O-CD1 3.31Å; W209-K260 VanDerWaalsContact O-CA 3.31Å; W209-K260 WeakPolarHBondContact O-CA 3.2Å; W209-I261 HydrophobicContact CB-CG2 4.03Å; W209-I261 PolarHBondContact N-O 2.83Å; W209-I261 PolarHBondContact O-N 2.94Å; W209-M269 HydrophobicContact CH2-CB 4.49Å; W209-M269 HydrophobicContact CZ2-CB 3.96Å; W209-M269 HydrophobicContact CZ2-CG 4.13Å; W209-T271 HydrophobicContact CZ3-CG2 4.1Å; W209-H277 AromaticContact CZ3-CD2 3.73Å |
| 210 | Y | 98.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.016 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 141.1 | 164.7 | -56.1 | -71.4 | 0 | 0 | 0 | 108.6 | E119 W123 W188 P248 F258 E259 K260 H277 A278 F280 | E119-Y210 WeakPolarHBondContact CG-OH 3.46Å; E119-Y210 VanDerWaalsContact OE1-CE1 3.22Å; E119-Y210 WeakPolarHBondContact OE1-CE1 3.24Å; E119-Y210 PolarHBondContact OE1-OH 3.49Å; W123-Y210 AromaticContact CZ2-CE2 3.8Å; W123-Y210 HydrophobicContact CZ2-CE2 3.8Å; W123-Y210 AromaticContact NE1-CZ 3.72Å; W123-Y210 PolarHBondContact NE1-OH 2.91Å; W188-Y210 HydrophobicContact CZ2-CG 4.41Å; Y210-P248 HydrophobicContact CD1-CG 3.88Å; Y210-P248 HydrophobicContact CE1-CG 3.31Å; Y210-P248 HydrophobicContact CE2-CG 4.4Å; Y210-F258 HydrophobicContact CD1-CD2 4.39Å; Y210-F258 HydrophobicContact CD1-CE2 4.46Å; Y210-E259 WeakPolarHBondContact CA-O 3.17Å; Y210-K260 HydrophobicContact CD1-CB 3.76Å; Y210-K260 HydrophobicContact CE1-CB 3.93Å; Y210-K260 HydrophobicContact CE1-CD 4.46Å; Y210-H277 WeakPolarHBondContact O-CA 3.38Å; Y210-H277 WeakPolarHBondContact O-CB 3.2Å; Y210-A278 PolarHBondContact N-O 3.22Å; Y210-A278 PolarHBondContact O-N 3.22Å; Y210-A278 VanDerWaalsContact O-N 3.08Å; Y210-F280 HydrophobicContact CE2-CD1 4.33Å; Y210-F280 HydrophobicContact CE2-CE1 4.27Å |
| 211 | C | 97.5 | Very high | 96.7 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.014 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 143.7 | 174.6 | -169.3 | 0 | 0 | 0 | 0 | 111.9 | A43 L45 F258 E259 Y276 | A43-C211 PolarHBondContact O-SG 2.93Å; L45-C211 HydrophobicContact CB-CB 3.71Å; L45-C211 HydrophobicContact CD2-CB 4.03Å; C211-F258 CarbonylContact O-C 3.46Å; C211-F258 WeakPolarHBondContact O-CA 3.21Å; C211-F258 WeakPolarHBondContact O-CB 3.39Å; C211-E259 PolarHBondContact N-O 2.87Å; C211-E259 PolarHBondContact O-N 2.76Å; C211-Y276 CarbonylContact C-O 3.57Å; C211-Y276 WeakPolarHBondContact CA-O 3.23Å; C211-Y276 PolarHBondContact SG-O 3.38Å; C211-Y276 VanDerWaalsContact SG-O 3.41Å |
| 212 | V | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 125.5 | 166.7 | 172.7 | 0 | 0 | 0 | 0 | 107.5 | W188 H216 L220 L251 I256 F258 Y276 | W188-V212 HydrophobicContact CH2-CG2 3.94Å; W188-V212 HydrophobicContact CZ3-CB 4.41Å; W188-V212 HydrophobicContact CZ3-CG2 3.86Å; V212-H216 HydrophobicContact CG1-CB 3.78Å; V212-L220 HydrophobicContact CB-CD2 4.44Å; V212-L220 HydrophobicContact CG1-CB 4.43Å; V212-L220 HydrophobicContact CG2-CD2 4.23Å; V212-L251 HydrophobicContact CG2-CD1 4.39Å; V212-I256 HydrophobicContact CG1-CG2 4.16Å; V212-I256 HydrophobicContact CG2-CG2 4.05Å; V212-F258 HydrophobicContact CG2-CB 3.82Å; V212-Y276 PolarHBondContact N-O 2.94Å; V212-Y276 PolarHBondContact O-N 2.86Å |
| 213 | S | 94.8 | Very high | 96.4 | Very high | 14 Ų | 14 | 34.5 Ų | 34.5 | 10% | 0.098 | 16% | 0.163 | C | C | . | . | trans | -56.6 | 148.6 | -176.5 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | R42 E215 H216 G217 | R42-S213 WeakPolarHBondContact O-CB 3.19Å; S213-E215 VanDerWaalsContact C-N 3.26Å; S213-E215 PolarHBondContact O-N 3.12Å; S213-E215 VanDerWaalsContact OG-CG 3.26Å; S213-E215 WeakPolarHBondContact OG-CG 3.48Å; S213-E215 PolarHBondContact OG-OE1 3.19Å; S213-H216 CarbonylContact O-C 3.52Å; S213-H216 WeakPolarHBondContact O-CA 3.38Å; S213-H216 PolarHBondContact O-N 2.93Å; S213-G217 PolarHBondContact O-N 3.22Å; S213-G217 VanDerWaalsContact O-N 3.1Å | ||
| 214 | P | 94.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.1 | -39.1 | -178.3 | -26.7 | 34.2 | 0 | 0 | 0 | 113.3 | H216 G217 Y274 A275 H344 | P214-H216 PolarHBondContact O-N 3.21Å; P214-G217 PolarHBondContact O-N 2.73Å; P214-G217 VanDerWaalsContact O-N 3.09Å; P214-Y274 HydrophobicContact CB-CD1 4.25Å; P214-Y274 WeakPolarHBondContact O-CE1 3.47Å; P214-A275 HydrophobicContact CG-CB 4.09Å; P214-H344 HydrophobicContact CB-CB 4.25Å |
| 215 | E | 92.9 | Very high | 96.2 | Very high | 78 Ų | 78 | 33.5 Ų | 33.5 | 36% | 0.364 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -56.9 | -13.5 | 171.9 | 57.9 | 174.1 | -155.1 | 0 | 0 | 114.6 | S213 H344 | S213-E215 VanDerWaalsContact C-N 3.26Å; S213-E215 PolarHBondContact O-N 3.12Å; S213-E215 VanDerWaalsContact OG-CG 3.26Å; S213-E215 WeakPolarHBondContact OG-CG 3.48Å; S213-E215 PolarHBondContact OG-OE1 3.19Å; E215-H344 HydrophobicContact CB-CB 4.48Å |
| 216 | H | 94.3 | Very high | 95.8 | Very high | 39 Ų | 39 | 32.5 Ų | 32.5 | 18% | 0.181 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -121.7 | -1 | 179.8 | -69.6 | -3.7 | 0 | 0 | 0 | 113.9 | V212 S213 P214 K218 R219 L220 P257 | V212-H216 HydrophobicContact CG1-CB 3.78Å; S213-H216 CarbonylContact O-C 3.52Å; S213-H216 WeakPolarHBondContact O-CA 3.38Å; S213-H216 PolarHBondContact O-N 2.93Å; P214-H216 PolarHBondContact O-N 3.21Å; H216-K218 VanDerWaalsContact C-N 3.32Å; H216-K218 PolarHBondContact O-N 3.11Å; H216-R219 PolarHBondContact CD2-NH1 3.49Å; H216-R219 PolarHBondContact NE2-NH1 3.32Å; H216-R219 WeakPolarHBondContact O-CA 3.31Å; H216-R219 WeakPolarHBondContact O-CB 3.36Å; H216-R219 PolarHBondContact O-N 3.3Å; H216-L220 PolarHBondContact O-N 3.45Å; H216-P257 VanDerWaalsContact CD2-CD 3.47Å; H216-P257 WeakPolarHBondContact CD2-CD 3.38Å; H216-P257 VanDerWaalsContact CD2-CG 3.43Å; H216-P257 WeakPolarHBondContact CD2-CG 3.41Å |
| 217 | G | 94.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -54.1 | -45.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S213 P214 R219 L220 E221 | S213-G217 PolarHBondContact O-N 3.22Å; S213-G217 VanDerWaalsContact O-N 3.1Å; P214-G217 PolarHBondContact O-N 2.73Å; P214-G217 VanDerWaalsContact O-N 3.09Å; G217-R219 PolarHBondContact O-N 2.8Å; G217-L220 PolarHBondContact O-N 3.44Å; G217-E221 PolarHBondContact O-N 2.88Å |
| 218 | K | 95.1 | Very high | 95.3 | Very high | 96 Ų | 96 | 35.7 Ų | 35.7 | 42% | 0.417 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.3 | -9.2 | 175 | -65.2 | -65.1 | 168.4 | -158.4 | 0 | 114 | H216 E221 R222 Y274 | H216-K218 VanDerWaalsContact C-N 3.32Å; H216-K218 PolarHBondContact O-N 3.11Å; K218-E221 WeakPolarHBondContact CE-OE1 3.44Å; K218-E221 VanDerWaalsContact NZ-CD 3.35Å; K218-E221 IonicContact NZ-OE1 3.33Å; K218-E221 PolarHBondContact NZ-OE1 2.81Å; K218-E221 IonicContact NZ-OE2 2.82Å; K218-E221 PolarHBondContact NZ-OE2 2.88Å; K218-R222 PolarHBondContact O-NE 2.86Å; K218-R222 PolarHBondContact O-NH2 3.15Å; K218-Y274 WeakPolarHBondContact CD-OH 3.49Å; K218-Y274 WeakPolarHBondContact CE-OH 3.19Å; K218-Y274 HydrophobicContact CG-CE1 4.34Å; K218-Y274 VanDerWaalsContact CG-OH 3.29Å; K218-Y274 WeakPolarHBondContact CG-OH 3.41Å; K218-Y274 PolarHBondContact N-OH 3.47Å; K218-Y274 PolarHBondContact NZ-OH 3.46Å |
| 219 | R | 96 | Very high | 94.7 | Very high | 76 Ų | 76 | 38.3 Ų | 38.3 | 29% | 0.287 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -88.8 | -42.6 | 170.9 | -53.4 | 172.8 | 61.1 | -166.8 | -6.4 | 110.4 | H216 G217 R222 L223 S255 I256 | H216-R219 PolarHBondContact CD2-NH1 3.49Å; H216-R219 PolarHBondContact NE2-NH1 3.32Å; H216-R219 WeakPolarHBondContact O-CA 3.31Å; H216-R219 WeakPolarHBondContact O-CB 3.36Å; H216-R219 PolarHBondContact O-N 3.3Å; G217-R219 PolarHBondContact O-N 2.8Å; R219-R222 PolarHBondContact O-N 2.95Å; R219-L223 PolarHBondContact O-N 2.97Å; R219-L223 VanDerWaalsContact O-N 3.07Å; R219-S255 PolarHBondContact NH2-O 3.06Å; R219-I256 HydrophobicContact CB-CD1 3.7Å |
| 220 | L | 96.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.8 | -45.1 | 173.2 | -176.2 | 66.7 | 0 | 0 | 0 | 111.5 | W188 V212 H216 G217 R222 L223 A224 I246 L251 Y276 | W188-L220 HydrophobicContact CD2-CD2 4.09Å; W188-L220 HydrophobicContact CE3-CD2 3.7Å; W188-L220 HydrophobicContact CZ3-CD2 4.23Å; V212-L220 HydrophobicContact CB-CD2 4.44Å; V212-L220 HydrophobicContact CG1-CB 4.43Å; V212-L220 HydrophobicContact CG2-CD2 4.23Å; H216-L220 PolarHBondContact O-N 3.45Å; G217-L220 PolarHBondContact O-N 3.44Å; L220-R222 VanDerWaalsContact C-N 3.29Å; L220-R222 PolarHBondContact O-N 2.92Å; L220-L223 PolarHBondContact O-N 3.3Å; L220-L223 VanDerWaalsContact O-N 3.12Å; L220-A224 WeakPolarHBondContact O-CB 3.04Å; L220-A224 PolarHBondContact O-N 3.46Å; L220-I246 HydrophobicContact CD1-CD1 4.29Å; L220-L251 HydrophobicContact CD1-CD2 3.56Å; L220-Y276 HydrophobicContact CD2-CD1 3.92Å; L220-Y276 HydrophobicContact CD2-CD2 4.27Å; L220-Y276 HydrophobicContact CD2-CG 3.65Å |
| 221 | E | 96.6 | Very high | 93.6 | Very high | 24 Ų | 24 | 42.1 Ų | 42.1 | 11% | 0.112 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -51.7 | -47.4 | 173.8 | -81.2 | -177.6 | -146.3 | 0 | 0 | 111.9 | G217 K218 A224 K225 Y274 Y276 | G217-E221 PolarHBondContact O-N 2.88Å; K218-E221 WeakPolarHBondContact CE-OE1 3.44Å; K218-E221 VanDerWaalsContact NZ-CD 3.35Å; K218-E221 IonicContact NZ-OE1 3.33Å; K218-E221 PolarHBondContact NZ-OE1 2.81Å; K218-E221 IonicContact NZ-OE2 2.82Å; K218-E221 PolarHBondContact NZ-OE2 2.88Å; E221-A224 PolarHBondContact O-N 3.41Å; E221-K225 WeakPolarHBondContact O-CB 3.22Å; E221-K225 VanDerWaalsContact O-CG 3.24Å; E221-K225 WeakPolarHBondContact O-CG 3.37Å; E221-K225 PolarHBondContact O-N 3.35Å; E221-K225 IonicContact OE2-NZ 2.7Å; E221-Y274 WeakPolarHBondContact OE1-CE2 3.23Å; E221-Y274 PolarHBondContact OE1-OH 3.16Å; E221-Y276 HydrophobicContact CG-CE2 4.09Å; E221-Y276 WeakPolarHBondContact CG-OH 3.45Å |
| 222 | R | 95.8 | Very high | 93.1 | Very high | 171 Ų | 171 | 43.4 Ų | 43.4 | 65% | 0.645 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -67.1 | -37.8 | 179.7 | -79.1 | -180 | -73.4 | 149.6 | -8.5 | 112.5 | K218 R219 L220 G226 | K218-R222 PolarHBondContact O-NE 2.86Å; K218-R222 PolarHBondContact O-NH2 3.15Å; R219-R222 PolarHBondContact O-N 2.95Å; L220-R222 VanDerWaalsContact C-N 3.29Å; L220-R222 PolarHBondContact O-N 2.92Å; R222-G226 PolarHBondContact O-N 3.38Å |
| 223 | L | 94.8 | Very high | 92.7 | Very high | 21 Ų | 21 | 51.2 Ų | 51.2 | 11% | 0.11 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 174.8 | -172.3 | 65 | 0 | 0 | 0 | 111.2 | R219 L220 G226 F227 I250 L251 Y254 I256 | R219-L223 PolarHBondContact O-N 2.97Å; R219-L223 VanDerWaalsContact O-N 3.07Å; L220-L223 PolarHBondContact O-N 3.3Å; L220-L223 VanDerWaalsContact O-N 3.12Å; L223-G226 PolarHBondContact O-N 2.9Å; L223-F227 HydrophobicContact CD1-CD2 3.96Å; L223-F227 HydrophobicContact CD1-CE2 3.52Å; L223-F227 HydrophobicContact CD1-CZ 4.35Å; L223-F227 HydrophobicContact CD2-CE2 4.39Å; L223-F227 HydrophobicContact CG-CD2 3.94Å; L223-F227 HydrophobicContact CG-CE2 3.84Å; L223-F227 WeakPolarHBondContact O-CD2 3.28Å; L223-F227 PolarHBondContact O-N 2.98Å; L223-I250 HydrophobicContact CD2-CG2 4.49Å; L223-L251 HydrophobicContact CD2-CD2 4.13Å; L223-Y254 HydrophobicContact CD1-CD1 3.67Å; L223-Y254 HydrophobicContact CD1-CD2 4.18Å; L223-Y254 HydrophobicContact CD1-CE1 4.33Å; L223-Y254 HydrophobicContact CD1-CG 3.58Å; L223-Y254 HydrophobicContact CD2-CG 4.4Å; L223-I256 HydrophobicContact CD2-CD1 4.48Å; L223-I256 HydrophobicContact CD2-CG1 3.71Å |
| 224 | A | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.7 | -47.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L220 E221 G226 F227 F228 F238 L239 I246 | L220-A224 WeakPolarHBondContact O-CB 3.04Å; L220-A224 PolarHBondContact O-N 3.46Å; E221-A224 PolarHBondContact O-N 3.41Å; A224-G226 PolarHBondContact O-N 3.02Å; A224-F227 PolarHBondContact O-N 3.36Å; A224-F227 VanDerWaalsContact O-N 3.13Å; A224-F228 WeakPolarHBondContact O-CD2 3.01Å; A224-F228 PolarHBondContact O-N 3.45Å; A224-F238 HydrophobicContact CB-CZ 3.84Å; A224-L239 HydrophobicContact CB-CD1 4.11Å; A224-L239 HydrophobicContact CB-CD2 4.02Å; A224-L239 HydrophobicContact CB-CG 4.42Å; A224-I246 HydrophobicContact CB-CD1 4.18Å |
| 225 | K | 93.9 | Very high | 92.3 | Very high | 51 Ų | 51 | 55.7 Ų | 55.7 | 22% | 0.222 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.5 | -35.2 | 173.6 | -71.6 | 176.8 | 176.2 | 173.7 | 0 | 111.6 | E221 E236 F238 | E221-K225 WeakPolarHBondContact O-CB 3.22Å; E221-K225 VanDerWaalsContact O-CG 3.24Å; E221-K225 WeakPolarHBondContact O-CG 3.37Å; E221-K225 PolarHBondContact O-N 3.35Å; E221-K225 IonicContact OE2-NZ 2.7Å; K225-E236 VanDerWaalsContact CE-O 3.25Å; K225-E236 WeakPolarHBondContact CE-O 3.18Å; K225-E236 IonicContact NZ-OE1 2.73Å; K225-E236 PolarHBondContact NZ-OE1 3.06Å; K225-F238 HydrophobicContact CG-CE1 3.97Å |
| 226 | G | 90.6 | Very high | 92.2 | Very high | 59 Ų | 59 | 57.6 Ų | 57.6 | 61% | 0.608 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -71.9 | -32.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | R222 L223 A224 | R222-G226 PolarHBondContact O-N 3.38Å; L223-G226 PolarHBondContact O-N 2.9Å; A224-G226 PolarHBondContact O-N 3.02Å |
| 227 | F | 92.5 | Very high | 92.2 | Very high | 64 Ų | 64 | 56.4 Ų | 56.4 | 28% | 0.281 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -92.5 | -26.3 | 179.3 | -77.7 | -51.1 | 0 | 0 | 0 | 114.7 | L82 L223 A224 P229 I250 Y254 | L82-F227 HydrophobicContact CD1-CB 4.2Å; L82-F227 HydrophobicContact CD1-CD1 3.46Å; L82-F227 VanDerWaalsContact CD1-CD1 3.46Å; L82-F227 HydrophobicContact CD1-CD2 3.94Å; L82-F227 HydrophobicContact CD1-CE1 3.64Å; L82-F227 HydrophobicContact CD1-CE2 4.07Å; L82-F227 HydrophobicContact CD1-CG 3.62Å; L82-F227 HydrophobicContact CD1-CZ 3.93Å; L82-F227 HydrophobicContact CD2-CB 4.18Å; L82-F227 HydrophobicContact CD2-CD2 3.65Å; L82-F227 HydrophobicContact CD2-CE2 4.09Å; L82-F227 HydrophobicContact CD2-CG 3.93Å; L82-F227 HydrophobicContact CG-CD2 4.45Å; L82-F227 HydrophobicContact CG-CG 4.45Å; L223-F227 HydrophobicContact CD1-CD2 3.96Å; L223-F227 HydrophobicContact CD1-CE2 3.52Å; L223-F227 HydrophobicContact CD1-CZ 4.35Å; L223-F227 HydrophobicContact CD2-CE2 4.39Å; L223-F227 HydrophobicContact CG-CD2 3.94Å; L223-F227 HydrophobicContact CG-CE2 3.84Å; L223-F227 WeakPolarHBondContact O-CD2 3.28Å; L223-F227 PolarHBondContact O-N 2.98Å; A224-F227 PolarHBondContact O-N 3.36Å; A224-F227 VanDerWaalsContact O-N 3.13Å; F227-P229 VanDerWaalsContact O-CD 3.25Å; F227-P229 WeakPolarHBondContact O-CD 3.44Å; F227-I250 HydrophobicContact CE2-CG2 3.77Å; F227-I250 HydrophobicContact CZ-CG2 4.36Å; F227-Y254 HydrophobicContact CE2-CD2 4.32Å; F227-Y254 HydrophobicContact CE2-CE2 4.1Å; F227-Y254 HydrophobicContact CZ-CD2 4.24Å; F227-Y254 HydrophobicContact CZ-CE1 4.33Å; F227-Y254 AromaticContact CZ-CE2 3.57Å; F227-Y254 HydrophobicContact CZ-CE2 3.57Å; F227-Y254 AromaticContact CZ-CZ 3.62Å |
| 228 | F | 92.6 | Very high | 92.2 | Very high | 23 Ų | 23 | 56.6 Ų | 56.6 | 10% | 0.101 | 30% | 0.3 | C | S | . | . | trans | -119.6 | 57.3 | -178.1 | -57.5 | -89.6 | 0 | 0 | 0 | 110.6 | L82 A224 G230 S231 S232 F238 T244 I246 | L82-F228 HydrophobicContact CB-CZ 4.32Å; L82-F228 HydrophobicContact CD2-CE2 4.01Å; L82-F228 HydrophobicContact CD2-CZ 4.16Å; A224-F228 WeakPolarHBondContact O-CD2 3.01Å; A224-F228 PolarHBondContact O-N 3.45Å; F228-G230 PolarHBondContact O-N 2.81Å; F228-S231 WeakPolarHBondContact O-CB 3.26Å; F228-S231 PolarHBondContact O-N 2.91Å; F228-S231 VanDerWaalsContact O-N 3.12Å; F228-S232 PolarHBondContact O-N 2.85Å; F228-F238 HydrophobicContact CB-CE2 3.81Å; F228-F238 HydrophobicContact CB-CZ 3.91Å; F228-F238 HydrophobicContact CG-CE2 4.32Å; F228-T244 HydrophobicContact CD2-CG2 3.77Å; F228-T244 HydrophobicContact CE1-CG2 4.3Å; F228-T244 HydrophobicContact CE2-CG2 3.46Å; F228-T244 VanDerWaalsContact CE2-CG2 3.46Å; F228-T244 HydrophobicContact CG-CG2 4.34Å; F228-T244 HydrophobicContact CZ-CG2 3.75Å; F228-I246 HydrophobicContact CE2-CD1 4.25Å; F228-I246 HydrophobicContact CE2-CG1 4.14Å | ||
| 229 | P | 86.6 | Confident | 92.2 | Very high | 67 Ų | 67 | 52.3 Ų | 52.3 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.4 | -45 | -169.9 | 22.8 | -33.8 | 0 | 0 | 0 | 112.5 | F227 S231 S232 Q233 | F227-P229 VanDerWaalsContact O-CD 3.25Å; F227-P229 WeakPolarHBondContact O-CD 3.44Å; P229-S231 VanDerWaalsContact C-N 3.32Å; P229-S231 PolarHBondContact O-N 3.35Å; P229-S232 WeakPolarHBondContact CA-OG 3.1Å; P229-S232 PolarHBondContact O-N 2.64Å; P229-S232 VanDerWaalsContact O-N 3.11Å; P229-S232 PolarHBondContact O-OG 3.21Å; P229-Q233 VanDerWaalsContact O-CG 3.31Å; P229-Q233 WeakPolarHBondContact O-CG 3.35Å; P229-Q233 PolarHBondContact O-N 2.69Å |
| 230 | G | 86.3 | Confident | 92.1 | Very high | 48 Ų | 48 | 49.5 Ų | 49.5 | 50% | 0.495 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | F228 N234 | F228-G230 PolarHBondContact O-N 2.81Å; G230-N234 PolarHBondContact O-N 2.91Å |
| 231 | S | 87.4 | Confident | 92 | Very high | 47 Ų | 47 | 51 Ų | 51 | 33% | 0.329 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65 | -43.4 | 173.6 | -51.9 | 0 | 0 | 0 | 0 | 111.4 | F228 P229 N234 C235 | F228-S231 WeakPolarHBondContact O-CB 3.26Å; F228-S231 PolarHBondContact O-N 2.91Å; F228-S231 VanDerWaalsContact O-N 3.12Å; P229-S231 VanDerWaalsContact C-N 3.32Å; P229-S231 PolarHBondContact O-N 3.35Å; S231-N234 PolarHBondContact O-N 2.73Å; S231-C235 PolarHBondContact O-N 3.28Å |
| 232 | S | 87.2 | Confident | 92 | Very high | 28 Ų | 28 | 53.4 Ų | 53.4 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.9 | -28.8 | 179 | 72.8 | 0 | 0 | 0 | 0 | 114.8 | F228 P229 C235 | F228-S232 PolarHBondContact O-N 2.85Å; P229-S232 WeakPolarHBondContact CA-OG 3.1Å; P229-S232 PolarHBondContact O-N 2.64Å; P229-S232 VanDerWaalsContact O-N 3.11Å; P229-S232 PolarHBondContact O-OG 3.21Å; S232-C235 WeakPolarHBondContact CA-O 3.39Å; S232-C235 CarbonylContact O-C 3.54Å |
| 233 | Q | 89.3 | Confident | 91.9 | Very high | 164 Ų | 164 | 47.2 Ų | 47.2 | 77% | 0.766 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -73.2 | -33.4 | 175.5 | -74.7 | 170 | -9.5 | 0 | 0 | 111.7 | P229 | P229-Q233 VanDerWaalsContact O-CG 3.31Å; P229-Q233 WeakPolarHBondContact O-CG 3.35Å; P229-Q233 PolarHBondContact O-N 2.69Å |
| 234 | N | 89.9 | Confident | 92 | Very high | 110 Ų | 110 | 46.3 Ų | 46.3 | 59% | 0.588 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -80.4 | -32.7 | 176.6 | -171.3 | 75.9 | 0 | 0 | 0 | 113.1 | G230 S231 | G230-N234 PolarHBondContact O-N 2.91Å; S231-N234 PolarHBondContact O-N 2.73Å |
| 235 | C | 91.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | trans | -149.9 | 124.1 | 177 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | S231 S232 A237 F238 C309 | S231-C235 PolarHBondContact O-N 3.28Å; S232-C235 WeakPolarHBondContact CA-O 3.39Å; S232-C235 CarbonylContact O-C 3.54Å; C235-A237 VanDerWaalsContact C-N 3.28Å; C235-A237 PolarHBondContact O-N 2.76Å; C235-F238 HydrophobicContact CB-CB 4.12Å; C235-F238 WeakPolarHBondContact O-CB 3.27Å; C235-F238 PolarHBondContact O-N 2.79Å; C235-C309 HydrophobicContact CB-CB 4.23Å | ||
| 236 | E | 90 | Very high | 92.3 | Very high | 119 Ų | 119 | 44 Ų | 44 | 56% | 0.556 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -39.5 | 178 | 166.8 | 141.6 | -131.2 | 0 | 0 | 111.9 | K225 F238 V305 | K225-E236 VanDerWaalsContact CE-O 3.25Å; K225-E236 WeakPolarHBondContact CE-O 3.18Å; K225-E236 IonicContact NZ-OE1 2.73Å; K225-E236 PolarHBondContact NZ-OE1 3.06Å; E236-F238 PolarHBondContact O-N 3.41Å; E236-V305 HydrophobicContact CG-CG1 4.14Å |
| 237 | A | 93.3 | Very high | 92.6 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 11% | 0.107 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 31 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | C235 L239 R240 V305 L306 | C235-A237 VanDerWaalsContact C-N 3.28Å; C235-A237 PolarHBondContact O-N 2.76Å; A237-L239 PolarHBondContact O-N 3.05Å; A237-R240 HydrophobicContact CB-CG 4.36Å; A237-R240 WeakPolarHBondContact O-CB 3.45Å; A237-R240 PolarHBondContact O-N 3.31Å; A237-V305 HydrophobicContact CB-CG1 4.33Å; A237-V305 WeakPolarHBondContact CB-O 3.26Å; A237-L306 WeakPolarHBondContact CB-O 3.49Å |
| 238 | F | 95.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -56 | -18.9 | -172.8 | 74.7 | -83.3 | 0 | 0 | 0 | 115.7 | A224 K225 F228 C235 E236 R240 H241 T244 | A224-F238 HydrophobicContact CB-CZ 3.84Å; K225-F238 HydrophobicContact CG-CE1 3.97Å; F228-F238 HydrophobicContact CB-CE2 3.81Å; F228-F238 HydrophobicContact CB-CZ 3.91Å; F228-F238 HydrophobicContact CG-CE2 4.32Å; C235-F238 HydrophobicContact CB-CB 4.12Å; C235-F238 WeakPolarHBondContact O-CB 3.27Å; C235-F238 PolarHBondContact O-N 2.79Å; E236-F238 PolarHBondContact O-N 3.41Å; F238-R240 PolarHBondContact O-N 3.49Å; F238-H241 VanDerWaalsContact O-CB 3.22Å; F238-H241 WeakPolarHBondContact O-CB 3.36Å; F238-H241 PolarHBondContact O-N 3.36Å; F238-H241 PolarHBondContact O-ND1 3.07Å; F238-T244 HydrophobicContact CE2-CG2 4.37Å |
| 239 | L | 95.5 | Very high | 92.9 | Very high | 6 Ų | 6 | 42.1 Ų | 42.1 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -61.9 | -30.4 | 172.1 | -66.2 | 178.8 | 0 | 0 | 0 | 112.3 | A224 A237 H241 K242 T244 Y276 | A224-L239 HydrophobicContact CB-CD1 4.11Å; A224-L239 HydrophobicContact CB-CD2 4.02Å; A224-L239 HydrophobicContact CB-CG 4.42Å; A237-L239 PolarHBondContact O-N 3.05Å; L239-H241 PolarHBondContact O-N 2.7Å; L239-H241 VanDerWaalsContact O-N 3.1Å; L239-K242 PolarHBondContact O-N 2.75Å; L239-T244 HydrophobicContact CD2-CG2 3.8Å; L239-Y276 HydrophobicContact CB-CE1 4.06Å; L239-Y276 HydrophobicContact CD1-CD1 4.33Å; L239-Y276 HydrophobicContact CD1-CE1 3.51Å; L239-Y276 HydrophobicContact CG-CE1 4.42Å |
| 240 | R | 94.8 | Very high | 93.3 | Very high | 17 Ų | 17 | 39.8 Ų | 39.8 | 6% | 0.064 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -62.7 | -13.1 | 171.6 | -64.8 | -166.2 | -172.6 | -73.6 | -6.7 | 113.9 | T190 E191 D194 A237 F238 K242 V305 | T190-R240 PolarHBondContact OG1-NH1 2.61Å; E191-R240 PolarHBondContact O-NH1 2.88Å; D194-R240 IonicContact OD1-CZ 3.83Å; D194-R240 IonicContact OD1-NH1 2.56Å; D194-R240 PolarHBondContact OD1-NH1 2.85Å; D194-R240 IonicContact OD1-NH2 2.7Å; D194-R240 PolarHBondContact OD1-NH2 2.91Å; D194-R240 IonicContact OD2-NH2 3.56Å; D194-R240 PolarHBondContact OD2-NH2 2.88Å; A237-R240 HydrophobicContact CB-CG 4.36Å; A237-R240 WeakPolarHBondContact O-CB 3.45Å; A237-R240 PolarHBondContact O-N 3.31Å; F238-R240 PolarHBondContact O-N 3.49Å; R240-K242 PolarHBondContact O-N 3.38Å; R240-V305 PolarHBondContact NE-O 3.32Å; R240-V305 PolarHBondContact NH2-O 2.91Å |
| 241 | H | 93.9 | Very high | 93.7 | Very high | 32 Ų | 32 | 37.5 Ų | 37.5 | 15% | 0.148 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -69 | -9.4 | 171.4 | -54.3 | 164.9 | 0 | 0 | 0 | 112.6 | F238 L239 M243 C307 C309 | F238-H241 VanDerWaalsContact O-CB 3.22Å; F238-H241 WeakPolarHBondContact O-CB 3.36Å; F238-H241 PolarHBondContact O-N 3.36Å; F238-H241 PolarHBondContact O-ND1 3.07Å; L239-H241 PolarHBondContact O-N 2.7Å; L239-H241 VanDerWaalsContact O-N 3.1Å; H241-M243 VanDerWaalsContact C-N 3.27Å; H241-M243 HydrophobicContact CB-CB 4.49Å; H241-M243 HydrophobicContact CB-CG 4.23Å; H241-M243 HydrophobicContact CB-SD 4.05Å; H241-M243 WeakPolarHBondContact O-CG 3.3Å; H241-M243 PolarHBondContact O-N 3.35Å; H241-C307 PolarHBondContact NE2-SG 2.8Å; H241-C307 VanDerWaalsContact NE2-SG 3.36Å; H241-C309 PolarHBondContact NE2-SG 2.56Å |
| 242 | K | 95.2 | Very high | 94 | Very high | 75 Ų | 75 | 43.2 Ų | 43.2 | 33% | 0.326 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 54.6 | 38.6 | -177.3 | -47.2 | -165.4 | -172.4 | -158.3 | 0 | 112.8 | A187 H189 L239 R240 | A187-K242 VanDerWaalsContact CB-O 3.25Å; A187-K242 WeakPolarHBondContact CB-O 3.4Å; H189-K242 HydrophobicContact CB-CG 4.15Å; H189-K242 WeakPolarHBondContact CD2-CE 3.4Å; H189-K242 PolarHBondContact CD2-NZ 3.42Å; H189-K242 VanDerWaalsContact CD2-NZ 3.28Å; H189-K242 WeakPolarHBondContact NE2-CE 3.34Å; H189-K242 PolarHBondContact NE2-NZ 3.28Å; L239-K242 PolarHBondContact O-N 2.75Å; R240-K242 PolarHBondContact O-N 3.38Å |
| 243 | M | 95.1 | Very high | 94.3 | Very high | 41 Ų | 41 | 49 Ų | 49 | 20% | 0.202 | 24% | 0.241 | C | C | . | . | trans | -116.8 | -11.7 | -176.2 | -70.7 | 172.1 | 77.3 | 0 | 0 | 115.5 | T84 Q85 Y86 H241 | T84-M243 CarbonylContact C-O 3.57Å; T84-M243 WeakPolarHBondContact CA-O 3.31Å; T84-M243 HydrophobicContact CG2-CB 4.34Å; T84-M243 HydrophobicContact CG2-CE 4.28Å; Q85-M243 PolarHBondContact N-O 3.29Å; Q85-M243 WeakPolarHBondContact O-CB 3.12Å; Q85-M243 WeakPolarHBondContact O-CE 3.46Å; Q85-M243 WeakPolarHBondContact O-CG 3.38Å; Y86-M243 HydrophobicContact CD1-CE 3.53Å; Y86-M243 HydrophobicContact CE1-CE 3.67Å; Y86-M243 HydrophobicContact CG-CE 4.16Å; H241-M243 VanDerWaalsContact C-N 3.27Å; H241-M243 HydrophobicContact CB-CB 4.49Å; H241-M243 HydrophobicContact CB-CG 4.23Å; H241-M243 HydrophobicContact CB-SD 4.05Å; H241-M243 WeakPolarHBondContact O-CG 3.3Å; H241-M243 PolarHBondContact O-N 3.35Å | ||
| 244 | T | 97.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 122.4 | -168.9 | -61.2 | 0 | 0 | 0 | 0 | 113 | W188 F228 F238 L239 I246 | W188-T244 PolarHBondContact N-O 3.07Å; F228-T244 HydrophobicContact CD2-CG2 3.77Å; F228-T244 HydrophobicContact CE1-CG2 4.3Å; F228-T244 HydrophobicContact CE2-CG2 3.46Å; F228-T244 VanDerWaalsContact CE2-CG2 3.46Å; F228-T244 HydrophobicContact CG-CG2 4.34Å; F228-T244 HydrophobicContact CZ-CG2 3.75Å; F238-T244 HydrophobicContact CE2-CG2 4.37Å; L239-T244 HydrophobicContact CD2-CG2 3.8Å; T244-I246 HydrophobicContact CG2-CD1 4.39Å; T244-I246 HydrophobicContact CG2-CG1 4.22Å |
| 245 | L | 97.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 124.7 | -178.5 | -52 | 179.9 | 0 | 0 | 0 | 110.6 | V76 F83 Q85 L126 T185 A187 | V76-L245 HydrophobicContact CG1-CD1 3.94Å; V76-L245 HydrophobicContact CG2-CD1 4.08Å; F83-L245 HydrophobicContact CB-CB 4.14Å; F83-L245 HydrophobicContact CB-CD1 4.49Å; F83-L245 HydrophobicContact CD2-CB 4.38Å; F83-L245 PolarHBondContact N-O 2.88Å; F83-L245 PolarHBondContact O-N 2.92Å; Q85-L245 HydrophobicContact CB-CD1 4.28Å; L126-L245 HydrophobicContact CD2-CD1 3.92Å; T185-L245 HydrophobicContact CG2-CD1 3.92Å; T185-L245 HydrophobicContact CG2-CD2 3.55Å; T185-L245 HydrophobicContact CG2-CG 4.42Å; A187-L245 HydrophobicContact CB-CD2 3.57Å |
| 246 | I | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 126.7 | 179.2 | -54.4 | -179.8 | 0 | 0 | 0 | 107.1 | G81 L82 W188 L220 A224 F228 T244 I250 L251 | G81-I246 CarbonylContact O-C 3.25Å; G81-I246 WeakPolarHBondContact O-CA 3.47Å; L82-I246 HydrophobicContact CD2-CB 4.49Å; L82-I246 HydrophobicContact CD2-CG1 4.06Å; L82-I246 HydrophobicContact CD2-CG2 4.12Å; W188-I246 PolarHBondContact NE1-O 3.07Å; L220-I246 HydrophobicContact CD1-CD1 4.29Å; A224-I246 HydrophobicContact CB-CD1 4.18Å; F228-I246 HydrophobicContact CE2-CD1 4.25Å; F228-I246 HydrophobicContact CE2-CG1 4.14Å; T244-I246 HydrophobicContact CG2-CD1 4.39Å; T244-I246 HydrophobicContact CG2-CG1 4.22Å; I246-I250 HydrophobicContact CG2-CB 3.9Å; I246-I250 HydrophobicContact CG2-CG2 3.65Å; I246-L251 HydrophobicContact CB-CD2 4.48Å; I246-L251 HydrophobicContact CG2-CD2 3.72Å; I246-L251 HydrophobicContact CG2-CG 4.17Å |
| 247 | S | 97 | Very high | 95.2 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 4% | 0.035 | 22% | 0.22 | C | C | . | . | trans | -82.5 | 154.6 | -175.1 | 80.4 | 0 | 0 | 0 | 0 | 113.2 | G81 S249 I250 L251 | G81-S247 VanDerWaalsContact CA-OG 3.32Å; G81-S247 WeakPolarHBondContact CA-OG 3.37Å; G81-S247 PolarHBondContact O-N 3.39Å; S247-S249 PolarHBondContact O-N 2.8Å; S247-S249 VanDerWaalsContact O-N 3.09Å; S247-I250 PolarHBondContact O-N 3.03Å; S247-L251 PolarHBondContact O-N 2.84Å; S247-L251 VanDerWaalsContact O-N 3.08Å | ||
| 248 | P | 95.6 | Very high | 95.3 | Very high | 13 Ų | 13 | 44.4 Ų | 44.4 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -45.4 | -38.5 | 170.4 | -35 | 39.5 | 0 | 0 | 0 | 114.2 | W123 Y210 I250 L251 K252 F258 | W123-P248 VanDerWaalsContact CE2-CD 3.47Å; Y210-P248 HydrophobicContact CD1-CG 3.88Å; Y210-P248 HydrophobicContact CE1-CG 3.31Å; Y210-P248 HydrophobicContact CE2-CG 4.4Å; P248-I250 VanDerWaalsContact C-N 3.32Å; P248-I250 PolarHBondContact O-N 2.88Å; P248-L251 PolarHBondContact O-N 3.42Å; P248-K252 VanDerWaalsContact O-CB 3.31Å; P248-K252 WeakPolarHBondContact O-CB 3.28Å; P248-K252 PolarHBondContact O-N 3.16Å; P248-F258 HydrophobicContact CB-CE1 4.4Å; P248-F258 HydrophobicContact CB-CE2 3.71Å; P248-F258 HydrophobicContact CB-CZ 3.54Å; P248-F258 HydrophobicContact CG-CE2 4.14Å; P248-F258 HydrophobicContact CG-CZ 4.44Å |
| 249 | S | 94 | Very high | 95.3 | Very high | 88 Ų | 88 | 48 Ų | 48 | 62% | 0.615 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -64.4 | -34.3 | 178.4 | -41.7 | 0 | 0 | 0 | 0 | 112.9 | S247 K253 | S247-S249 PolarHBondContact O-N 2.8Å; S247-S249 VanDerWaalsContact O-N 3.09Å; S249-K253 VanDerWaalsContact O-CB 3.23Å; S249-K253 WeakPolarHBondContact O-CB 3.48Å; S249-K253 PolarHBondContact O-N 2.7Å; S249-K253 VanDerWaalsContact O-N 3.13Å |
| 250 | I | 95.3 | Very high | 95.4 | Very high | 18 Ų | 18 | 51.9 Ų | 51.9 | 9% | 0.092 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -77.5 | -42.6 | 175.3 | -66.7 | -63.7 | 0 | 0 | 0 | 110.7 | S80 L82 L223 F227 I246 S247 P248 K252 K253 Y254 | S80-I250 WeakPolarHBondContact O-CD1 3.26Å; L82-I250 HydrophobicContact CD2-CG2 4.18Å; L82-I250 HydrophobicContact CG-CG1 4.42Å; L223-I250 HydrophobicContact CD2-CG2 4.49Å; F227-I250 HydrophobicContact CE2-CG2 3.77Å; F227-I250 HydrophobicContact CZ-CG2 4.36Å; I246-I250 HydrophobicContact CG2-CB 3.9Å; I246-I250 HydrophobicContact CG2-CG2 3.65Å; S247-I250 PolarHBondContact O-N 3.03Å; P248-I250 VanDerWaalsContact C-N 3.32Å; P248-I250 PolarHBondContact O-N 2.88Å; I250-K252 PolarHBondContact O-N 3.24Å; I250-K253 PolarHBondContact O-N 2.72Å; I250-Y254 HydrophobicContact CG2-CD2 4.14Å; I250-Y254 HydrophobicContact CG2-CE2 4.49Å; I250-Y254 WeakPolarHBondContact O-CD2 3.45Å; I250-Y254 PolarHBondContact O-N 3.36Å |
| 251 | L | 94.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.2 | -48.3 | 175.9 | -61.4 | -175.7 | 0 | 0 | 0 | 111.4 | W188 V212 L220 L223 I246 S247 P248 K253 Y254 S255 I256 F258 | W188-L251 HydrophobicContact CH2-CD1 3.92Å; W188-L251 HydrophobicContact CZ2-CD1 3.5Å; W188-L251 VanDerWaalsContact CZ2-CD1 3.5Å; V212-L251 HydrophobicContact CG2-CD1 4.39Å; L220-L251 HydrophobicContact CD1-CD2 3.56Å; L223-L251 HydrophobicContact CD2-CD2 4.13Å; I246-L251 HydrophobicContact CB-CD2 4.48Å; I246-L251 HydrophobicContact CG2-CD2 3.72Å; I246-L251 HydrophobicContact CG2-CG 4.17Å; S247-L251 PolarHBondContact O-N 2.84Å; S247-L251 VanDerWaalsContact O-N 3.08Å; P248-L251 PolarHBondContact O-N 3.42Å; L251-K253 PolarHBondContact O-N 3.06Å; L251-Y254 CarbonylContact O-C 3.55Å; L251-Y254 PolarHBondContact O-N 2.92Å; L251-S255 PolarHBondContact O-N 3.1Å; L251-S255 VanDerWaalsContact O-N 3.11Å; L251-I256 HydrophobicContact CB-CB 4.23Å; L251-I256 HydrophobicContact CD2-CB 4.21Å; L251-I256 HydrophobicContact CD2-CG1 4.42Å; L251-I256 HydrophobicContact CD2-CG2 4.26Å; L251-I256 PolarHBondContact O-N 3.43Å; L251-F258 HydrophobicContact CB-CD1 3.52Å; L251-F258 HydrophobicContact CB-CE1 3.87Å; L251-F258 HydrophobicContact CB-CG 4.3Å; L251-F258 HydrophobicContact CD1-CB 3.93Å; L251-F258 HydrophobicContact CD1-CD1 3.95Å; L251-F258 HydrophobicContact CD1-CG 3.85Å; L251-F258 HydrophobicContact CG-CD1 4.4Å |
| 252 | K | 94.1 | Very high | 95.7 | Very high | 167 Ų | 167 | 52 Ų | 52 | 73% | 0.726 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.3 | -41.1 | 174.8 | -167.5 | 166.9 | -175.6 | 169.7 | 0 | 112.5 | P248 I250 Y254 S255 F258 | P248-K252 VanDerWaalsContact O-CB 3.31Å; P248-K252 WeakPolarHBondContact O-CB 3.28Å; P248-K252 PolarHBondContact O-N 3.16Å; I250-K252 PolarHBondContact O-N 3.24Å; K252-Y254 VanDerWaalsContact C-N 3.31Å; K252-Y254 PolarHBondContact O-N 2.8Å; K252-S255 PolarHBondContact O-N 3.28Å; K252-F258 HydrophobicContact CB-CE1 4.24Å |
| 253 | K | 94.1 | Very high | 95.8 | Very high | 151 Ų | 151 | 48.5 Ų | 48.5 | 66% | 0.657 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -64.4 | -31.3 | 178.3 | 178.2 | 175.9 | 176.8 | 179.4 | 0 | 113.6 | S249 I250 L251 | S249-K253 VanDerWaalsContact O-CB 3.23Å; S249-K253 WeakPolarHBondContact O-CB 3.48Å; S249-K253 PolarHBondContact O-N 2.7Å; S249-K253 VanDerWaalsContact O-N 3.13Å; I250-K253 PolarHBondContact O-N 2.72Å; L251-K253 PolarHBondContact O-N 3.06Å |
| 254 | Y | 94.3 | Very high | 96 | Very high | 106 Ų | 106 | 51 Ų | 51 | 42% | 0.416 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 17.4 | 177.2 | -72.1 | -94.5 | 0 | 0 | 0 | 112.7 | L223 F227 I250 L251 K252 I256 | L223-Y254 HydrophobicContact CD1-CD1 3.67Å; L223-Y254 HydrophobicContact CD1-CD2 4.18Å; L223-Y254 HydrophobicContact CD1-CE1 4.33Å; L223-Y254 HydrophobicContact CD1-CG 3.58Å; L223-Y254 HydrophobicContact CD2-CG 4.4Å; F227-Y254 HydrophobicContact CE2-CD2 4.32Å; F227-Y254 HydrophobicContact CE2-CE2 4.1Å; F227-Y254 HydrophobicContact CZ-CD2 4.24Å; F227-Y254 HydrophobicContact CZ-CE1 4.33Å; F227-Y254 AromaticContact CZ-CE2 3.57Å; F227-Y254 HydrophobicContact CZ-CE2 3.57Å; F227-Y254 AromaticContact CZ-CZ 3.62Å; I250-Y254 HydrophobicContact CG2-CD2 4.14Å; I250-Y254 HydrophobicContact CG2-CE2 4.49Å; I250-Y254 WeakPolarHBondContact O-CD2 3.45Å; I250-Y254 PolarHBondContact O-N 3.36Å; L251-Y254 CarbonylContact O-C 3.55Å; L251-Y254 PolarHBondContact O-N 2.92Å; K252-Y254 VanDerWaalsContact C-N 3.31Å; K252-Y254 PolarHBondContact O-N 2.8Å; Y254-I256 PolarHBondContact O-N 3.48Å; Y254-I256 VanDerWaalsContact O-N 3.1Å |
| 255 | S | 94 | Very high | 96 | Very high | 87 Ų | 87 | 53.4 Ų | 53.4 | 61% | 0.608 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 29.7 | 177.6 | -51.9 | 0 | 0 | 0 | 0 | 114.3 | R219 L251 K252 P257 | R219-S255 PolarHBondContact NH2-O 3.06Å; L251-S255 PolarHBondContact O-N 3.1Å; L251-S255 VanDerWaalsContact O-N 3.11Å; K252-S255 PolarHBondContact O-N 3.28Å; S255-P257 VanDerWaalsContact O-CD 3.28Å; S255-P257 WeakPolarHBondContact O-CD 3.38Å |
| 256 | I | 95.8 | Very high | 96 | Very high | 11 Ų | 11 | 54.3 Ų | 54.3 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | trans | -77.4 | 115.6 | 168.3 | -55.1 | -59.4 | 0 | 0 | 0 | 106.8 | V212 R219 L223 L251 Y254 | V212-I256 HydrophobicContact CG1-CG2 4.16Å; V212-I256 HydrophobicContact CG2-CG2 4.05Å; R219-I256 HydrophobicContact CB-CD1 3.7Å; L223-I256 HydrophobicContact CD2-CD1 4.48Å; L223-I256 HydrophobicContact CD2-CG1 3.71Å; L251-I256 HydrophobicContact CB-CB 4.23Å; L251-I256 HydrophobicContact CD2-CB 4.21Å; L251-I256 HydrophobicContact CD2-CG1 4.42Å; L251-I256 HydrophobicContact CD2-CG2 4.26Å; L251-I256 PolarHBondContact O-N 3.43Å; Y254-I256 PolarHBondContact O-N 3.48Å; Y254-I256 VanDerWaalsContact O-N 3.1Å | ||
| 257 | P | 94.4 | Very high | 96 | Very high | 61 Ų | 61 | 55.2 Ų | 55.2 | 40% | 0.396 | 29% | 0.292 | S | S | . | . | trans | -68.8 | 134.8 | 173.4 | -18.4 | 35 | 0 | 0 | 0 | 109.1 | H216 S255 | H216-P257 VanDerWaalsContact CD2-CD 3.47Å; H216-P257 WeakPolarHBondContact CD2-CD 3.38Å; H216-P257 VanDerWaalsContact CD2-CG 3.43Å; H216-P257 WeakPolarHBondContact CD2-CG 3.41Å; S255-P257 VanDerWaalsContact O-CD 3.28Å; S255-P257 WeakPolarHBondContact O-CD 3.38Å | ||
| 258 | F | 96.3 | Very high | 96.1 | Very high | 46 Ų | 46 | 55 Ų | 55 | 20% | 0.202 | 29% | 0.29 | C | S | . | . | trans | -147.1 | 152.4 | 175.5 | 71.6 | -82.2 | 0 | 0 | 0 | 107.4 | Y210 C211 V212 P248 L251 K252 | Y210-F258 HydrophobicContact CD1-CD2 4.39Å; Y210-F258 HydrophobicContact CD1-CE2 4.46Å; C211-F258 CarbonylContact O-C 3.46Å; C211-F258 WeakPolarHBondContact O-CA 3.21Å; C211-F258 WeakPolarHBondContact O-CB 3.39Å; V212-F258 HydrophobicContact CG2-CB 3.82Å; P248-F258 HydrophobicContact CB-CE1 4.4Å; P248-F258 HydrophobicContact CB-CE2 3.71Å; P248-F258 HydrophobicContact CB-CZ 3.54Å; P248-F258 HydrophobicContact CG-CE2 4.14Å; P248-F258 HydrophobicContact CG-CZ 4.44Å; L251-F258 HydrophobicContact CB-CD1 3.52Å; L251-F258 HydrophobicContact CB-CE1 3.87Å; L251-F258 HydrophobicContact CB-CG 4.3Å; L251-F258 HydrophobicContact CD1-CB 3.93Å; L251-F258 HydrophobicContact CD1-CD1 3.95Å; L251-F258 HydrophobicContact CD1-CG 3.85Å; L251-F258 HydrophobicContact CG-CD1 4.4Å; K252-F258 HydrophobicContact CB-CE1 4.24Å | ||
| 259 | E | 95.8 | Very high | 96.2 | Very high | 80 Ų | 80 | 54.4 Ų | 54.4 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 159.7 | 172.8 | -63.9 | -65.1 | 173.2 | 0 | 0 | 109.7 | I15 Y210 C211 | I15-E259 HydrophobicContact CD1-CB 3.46Å; I15-E259 VanDerWaalsContact CD1-CB 3.46Å; I15-E259 HydrophobicContact CG1-CB 3.63Å; I15-E259 HydrophobicContact CG1-CG 4.29Å; Y210-E259 WeakPolarHBondContact CA-O 3.17Å; C211-E259 PolarHBondContact N-O 2.87Å; C211-E259 PolarHBondContact O-N 2.76Å |
| 260 | K | 96.1 | Very high | 96.4 | Very high | 87 Ų | 87 | 50.2 Ų | 50.2 | 38% | 0.378 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 144.2 | 173.6 | 69.6 | 170.3 | 178.9 | 168.3 | 0 | 111.5 | E116 E119 W209 Y210 | E116-K260 IonicContact OE1-NZ 3.15Å; E116-K260 PolarHBondContact OE1-NZ 3.34Å; E119-K260 IonicContact OE2-NZ 2.67Å; E119-K260 PolarHBondContact OE2-NZ 2.9Å; W209-K260 VanDerWaalsContact O-CA 3.31Å; W209-K260 WeakPolarHBondContact O-CA 3.2Å; Y210-K260 HydrophobicContact CD1-CB 3.76Å; Y210-K260 HydrophobicContact CE1-CB 3.93Å; Y210-K260 HydrophobicContact CE1-CD 4.46Å |
| 261 | I | 97.6 | Very high | 96.6 | Very high | 28 Ų | 28 | 49.4 Ų | 49.4 | 14% | 0.144 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 153.1 | 174.9 | -166.5 | 163 | 0 | 0 | 0 | 110.1 | I15 L45 K47 W209 M269 | I15-I261 HydrophobicContact CD1-CB 4.01Å; I15-I261 HydrophobicContact CD1-CG2 3.81Å; I15-I261 HydrophobicContact CG2-CB 4.37Å; I15-I261 HydrophobicContact CG2-CD1 3.6Å; I15-I261 HydrophobicContact CG2-CG2 4.25Å; L45-I261 HydrophobicContact CD2-CG2 3.89Å; K47-I261 HydrophobicContact CB-CD1 3.94Å; K47-I261 HydrophobicContact CD-CD1 4.26Å; W209-I261 HydrophobicContact CB-CG2 4.03Å; W209-I261 PolarHBondContact N-O 2.83Å; W209-I261 PolarHBondContact O-N 2.94Å; I261-M269 HydrophobicContact CG2-CE 3.65Å |
| 262 | T | 97.9 | Very high | 96.7 | Very high | 24 Ų | 24 | 49.5 Ų | 49.5 | 15% | 0.147 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 130.7 | 171.3 | -62.6 | 0 | 0 | 0 | 0 | 109.2 | K47 F115 P206 S208 | K47-T262 WeakPolarHBondContact CE-O 3.32Å; K47-T262 PolarHBondContact NZ-O 2.9Å; F115-T262 HydrophobicContact CE2-CG2 4.31Å; F115-T262 HydrophobicContact CZ-CG2 4.32Å; P206-T262 HydrophobicContact CB-CG2 3.44Å; P206-T262 VanDerWaalsContact CB-CG2 3.44Å; P206-T262 HydrophobicContact CG-CG2 4.42Å; S208-T262 PolarHBondContact OG-OG1 3.34Å |
| 263 | Q | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 128.3 | 171.9 | 178 | -168.8 | 18.8 | 0 | 0 | 108.7 | N199 L201 P206 K207 E267 M269 | N199-Q263 PolarHBondContact O-NE2 3.01Å; N199-Q263 VanDerWaalsContact O-NE2 3.16Å; N199-Q263 PolarHBondContact OD1-NE2 3.23Å; N199-Q263 PolarHBondContact OD1-OE1 3.11Å; L201-Q263 HydrophobicContact CB-CG 4.06Å; L201-Q263 HydrophobicContact CD2-CG 4.18Å; L201-Q263 WeakPolarHBondContact CD2-O 3.34Å; P206-Q263 CarbonylContact C-O 3.52Å; P206-Q263 VanDerWaalsContact CA-O 3.28Å; P206-Q263 WeakPolarHBondContact CA-O 3.34Å; P206-Q263 VanDerWaalsContact CB-O 3.3Å; P206-Q263 WeakPolarHBondContact CB-O 3.17Å; K207-Q263 HydrophobicContact CB-CB 4.38Å; K207-Q263 PolarHBondContact N-O 2.91Å; K207-Q263 PolarHBondContact O-N 3.18Å; Q263-E267 WeakPolarHBondContact CA-OE2 3.28Å; Q263-E267 HydrophobicContact CG-CB 4.15Å; Q263-E267 PolarHBondContact NE2-O 3.28Å; Q263-M269 HydrophobicContact CB-CG 3.79Å; Q263-M269 HydrophobicContact CB-SD 4.01Å; Q263-M269 HydrophobicContact CG-CG 3.64Å; Q263-M269 HydrophobicContact CG-SD 4.22Å |
| 264 | E | 98.1 | Very high | 97.1 | Very high | 93 Ų | 93 | 35 Ų | 35 | 44% | 0.435 | 19% | 0.19 | S | C | . | . | trans | -105.3 | 167.2 | 178.5 | -65.9 | 175.7 | -149.5 | 0 | 0 | 110.5 | P206 G266 E267 | P206-E264 HydrophobicContact CB-CG 4.42Å; P206-E264 HydrophobicContact CG-CG 4.32Å; E264-G266 PolarHBondContact O-N 3.21Å; E264-E267 PolarHBondContact N-OE2 2.62Å; E264-E267 WeakPolarHBondContact O-CB 3.49Å; E264-E267 PolarHBondContact O-N 3.11Å | ||
| 265 | A | 97.7 | Very high | 97.2 | Very high | 54 Ų | 54 | 30 Ų | 30 | 45% | 0.446 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 134.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L201 | L201-A265 WeakPolarHBondContact O-CA 3.49Š|
| 266 | G | 96.9 | Very high | 97.4 | Very high | 22 Ų | 22 | 26.5 Ų | 26.5 | 23% | 0.227 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | 0.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115 | P50 Y200 L201 E264 | P50-G266 WeakPolarHBondContact CD-O 3.08Å; P50-G266 VanDerWaalsContact CG-O 3.24Å; P50-G266 WeakPolarHBondContact CG-O 3.4Å; Y200-G266 WeakPolarHBondContact CE2-O 3.33Å; L201-G266 PolarHBondContact O-N 2.97Å; E264-G266 PolarHBondContact O-N 3.21Å |
| 267 | E | 98.3 | Very high | 97.5 | Very high | 19 Ų | 19 | 26.2 Ų | 26.2 | 9% | 0.089 | 14% | 0.143 | C | C | . | . | trans | -105.6 | 143 | -178.9 | -58.4 | -175.9 | 137.1 | 0 | 0 | 113.7 | K47 V49 L201 Q263 E264 | K47-E267 WeakPolarHBondContact CD-OE1 3.35Å; K47-E267 WeakPolarHBondContact CE-OE1 3.44Å; K47-E267 WeakPolarHBondContact CE-OE2 3.49Å; K47-E267 IonicContact NZ-OE1 2.66Å; K47-E267 PolarHBondContact NZ-OE1 2.77Å; K47-E267 IonicContact NZ-OE2 2.62Å; K47-E267 PolarHBondContact NZ-OE2 3.29Å; V49-E267 HydrophobicContact CG2-CG 4.19Å; L201-E267 PolarHBondContact N-O 2.81Å; Q263-E267 WeakPolarHBondContact CA-OE2 3.28Å; Q263-E267 HydrophobicContact CG-CB 4.15Å; Q263-E267 PolarHBondContact NE2-O 3.28Å; E264-E267 PolarHBondContact N-OE2 2.62Å; E264-E267 WeakPolarHBondContact O-CB 3.49Å; E264-E267 PolarHBondContact O-N 3.11Å | ||
| 268 | F | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 146 | 168.5 | -68 | -89.8 | 0 | 0 | 0 | 111.8 | F25 K47 I48 P50 W54 Y142 W149 I198 N199 Y200 | F25-F268 HydrophobicContact CE2-CE2 4.17Å; F25-F268 AromaticContact CZ-CE2 3.74Å; F25-F268 HydrophobicContact CZ-CE2 3.74Å; F25-F268 HydrophobicContact CZ-CZ 4.22Å; K47-F268 WeakPolarHBondContact CA-O 3.44Å; I48-F268 HydrophobicContact CB-CB 4.19Å; I48-F268 PolarHBondContact N-O 3.01Å; I48-F268 WeakPolarHBondContact O-CB 3.46Å; I48-F268 PolarHBondContact O-N 2.75Å; P50-F268 HydrophobicContact CB-CE2 4.22Å; P50-F268 HydrophobicContact CG-CD2 4.35Å; P50-F268 HydrophobicContact CG-CE2 4.22Å; W54-F268 HydrophobicContact CE3-CE2 4.48Å; W54-F268 AromaticContact CH2-CE2 3.7Å; W54-F268 HydrophobicContact CH2-CE2 3.7Å; W54-F268 AromaticContact CH2-CZ 3.45Å; W54-F268 HydrophobicContact CH2-CZ 3.45Å; W54-F268 VanDerWaalsContact CH2-CZ 3.45Å; W54-F268 HydrophobicContact CZ2-CZ 4.21Å; W54-F268 AromaticContact CZ3-CE2 3.64Å; W54-F268 HydrophobicContact CZ3-CE2 3.64Å; W54-F268 AromaticContact CZ3-CZ 3.9Å; W54-F268 HydrophobicContact CZ3-CZ 3.9Å; Y142-F268 WeakPolarHBondContact OH-CE1 3.49Å; Y142-F268 WeakPolarHBondContact OH-CZ 3.4Å; W149-F268 HydrophobicContact CB-CE1 4.31Å; W149-F268 HydrophobicContact CB-CZ 3.83Å; W149-F268 HydrophobicContact CE3-CD1 4.08Å; W149-F268 HydrophobicContact CE3-CD2 4.24Å; W149-F268 HydrophobicContact CE3-CE1 4.02Å; W149-F268 HydrophobicContact CE3-CE2 4.22Å; W149-F268 HydrophobicContact CE3-CG 4.16Å; W149-F268 HydrophobicContact CE3-CZ 4.08Å; W149-F268 HydrophobicContact CG-CZ 4.49Å; W149-F268 HydrophobicContact CZ3-CG 4.41Å; I198-F268 HydrophobicContact CD1-CD1 3.6Å; I198-F268 HydrophobicContact CD1-CE1 3.73Å; I198-F268 HydrophobicContact CG1-CD1 3.75Å; I198-F268 HydrophobicContact CG1-CE1 4.26Å; N199-F268 CarbonylContact O-C 3.54Å; N199-F268 WeakPolarHBondContact O-CA 3.43Å; Y200-F268 AromaticContact CD2-CD1 3.75Å; Y200-F268 HydrophobicContact CD2-CD1 3.75Å; Y200-F268 AromaticContact CD2-CD2 3.69Å; Y200-F268 HydrophobicContact CD2-CD2 3.69Å; Y200-F268 AromaticContact CD2-CE1 3.67Å; Y200-F268 HydrophobicContact CD2-CE1 3.67Å; Y200-F268 AromaticContact CD2-CE2 3.58Å; Y200-F268 HydrophobicContact CD2-CE2 3.58Å; Y200-F268 AromaticContact CD2-CG 3.79Å; Y200-F268 HydrophobicContact CD2-CG 3.79Å; Y200-F268 AromaticContact CD2-CZ 3.59Å; Y200-F268 HydrophobicContact CD2-CZ 3.59Å; Y200-F268 HydrophobicContact CE2-CD2 4.13Å; Y200-F268 AromaticContact CE2-CE2 3.82Å; Y200-F268 HydrophobicContact CE2-CE2 3.82Å; Y200-F268 HydrophobicContact CE2-CZ 4.11Å; Y200-F268 HydrophobicContact CG-CD1 4.17Å; Y200-F268 AromaticContact CG-CE1 3.96Å; Y200-F268 HydrophobicContact CG-CE1 3.96Å; Y200-F268 HydrophobicContact CG-CZ 4.18Å |
| 269 | M | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 133.3 | 166 | -62.7 | -60.1 | -55.8 | 0 | 0 | 109.3 | L45 A46 K47 N199 W209 I261 Q263 | L45-M269 HydrophobicContact CD1-CB 4.49Å; L45-M269 HydrophobicContact CD1-CE 3.79Å; L45-M269 HydrophobicContact CD2-CE 3.7Å; L45-M269 HydrophobicContact CG-CE 3.56Å; A46-M269 WeakPolarHBondContact O-CA 3.42Å; A46-M269 WeakPolarHBondContact O-CE 3.32Å; K47-M269 HydrophobicContact CB-CE 4.2Å; K47-M269 HydrophobicContact CB-SD 3.67Å; K47-M269 HydrophobicContact CG-SD 3.93Å; N199-M269 PolarHBondContact N-O 3.41Å; N199-M269 PolarHBondContact O-N 3.28Å; W209-M269 HydrophobicContact CH2-CB 4.49Å; W209-M269 HydrophobicContact CZ2-CB 3.96Å; W209-M269 HydrophobicContact CZ2-CG 4.13Å; I261-M269 HydrophobicContact CG2-CE 3.65Å; Q263-M269 HydrophobicContact CB-CG 3.79Å; Q263-M269 HydrophobicContact CB-SD 4.01Å; Q263-M269 HydrophobicContact CG-CG 3.64Å; Q263-M269 HydrophobicContact CG-SD 4.22Å |
| 270 | I | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 118.8 | 175.9 | -58.7 | -61.7 | 0 | 0 | 0 | 108.9 | F28 I32 L45 A46 I48 W149 S197 I198 F272 F292 | F28-I270 HydrophobicContact CE2-CD1 4.29Å; I32-I270 HydrophobicContact CD1-CD1 4.1Å; I32-I270 HydrophobicContact CD1-CG1 4.11Å; I32-I270 HydrophobicContact CD1-CG2 4.22Å; L45-I270 WeakPolarHBondContact CA-O 3.47Å; A46-I270 PolarHBondContact N-O 3.26Å; A46-I270 PolarHBondContact O-N 2.62Å; I48-I270 HydrophobicContact CD1-CG1 3.67Å; I48-I270 HydrophobicContact CG1-CG1 4.37Å; W149-I270 HydrophobicContact CZ3-CD1 4.39Å; S197-I270 WeakPolarHBondContact O-CA 3.39Å; I198-I270 HydrophobicContact CB-CD1 3.82Å; I198-I270 HydrophobicContact CD1-CD1 4.07Å; I198-I270 HydrophobicContact CG1-CD1 3.7Å; I270-F272 HydrophobicContact CB-CE2 4.46Å; I270-F272 HydrophobicContact CG2-CD2 4.46Å; I270-F272 HydrophobicContact CG2-CE1 4.37Å; I270-F272 HydrophobicContact CG2-CE2 4.06Å; I270-F272 HydrophobicContact CG2-CZ 4.01Å; I270-F292 HydrophobicContact CD1-CE1 4.17Å; I270-F292 HydrophobicContact CD1-CZ 4.35Å; I270-F292 HydrophobicContact CG2-CE1 4.38Å; I270-F292 HydrophobicContact CG2-CZ 3.98Å |
| 271 | T | 98.1 | Very high | 98 | Very high | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.012 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 148.7 | 167 | 82.6 | 0 | 0 | 0 | 0 | 109.9 | L45 Y196 S197 W209 | L45-T271 HydrophobicContact CD1-CG2 3.92Å; Y196-T271 WeakPolarHBondContact CA-O 3.5Å; Y196-T271 WeakPolarHBondContact CB-O 3.47Å; Y196-T271 WeakPolarHBondContact CD1-O 3.34Å; S197-T271 PolarHBondContact N-O 2.83Å; S197-T271 PolarHBondContact N-OG1 3.16Å; S197-T271 VanDerWaalsContact N-OG1 3.07Å; S197-T271 PolarHBondContact O-N 3.26Å; S197-T271 VanDerWaalsContact OG-CG2 3.23Å; S197-T271 WeakPolarHBondContact OG-CG2 3.43Å; S197-T271 PolarHBondContact OG-OG1 3.46Å; W209-T271 HydrophobicContact CZ3-CG2 4.1Å |
| 272 | F | 98.2 | Very high | 98.1 | Very high | 1 Ų | 1 | 12.2 Ų | 12.2 | 0% | 0.004 | 8% | 0.075 | C | C | . | . | trans | -111.7 | 154.9 | -177.1 | -67.2 | -93.8 | 0 | 0 | 0 | 111.8 | I35 E36 A40 H41 G44 A46 Y196 I270 Y274 A275 | I35-F272 HydrophobicContact CD1-CZ 3.91Å; I35-F272 HydrophobicContact CG1-CZ 4.31Å; E36-F272 HydrophobicContact CG-CD1 4.44Å; E36-F272 HydrophobicContact CG-CE1 3.8Å; E36-F272 VanDerWaalsContact OE1-CD1 3.23Å; E36-F272 WeakPolarHBondContact OE1-CD1 3.21Å; E36-F272 WeakPolarHBondContact OE1-CE1 3.47Å; A40-F272 HydrophobicContact CB-CE2 4.42Å; A40-F272 HydrophobicContact CB-CZ 3.96Å; H41-F272 HydrophobicContact CB-CB 4.4Å; H41-F272 HydrophobicContact CB-CD1 3.43Å; H41-F272 VanDerWaalsContact CB-CD1 3.43Å; H41-F272 HydrophobicContact CB-CE1 3.76Å; H41-F272 HydrophobicContact CB-CG 3.93Å; H41-F272 HydrophobicContact CB-CZ 4.48Å; G44-F272 PolarHBondContact O-N 2.83Å; G44-F272 VanDerWaalsContact O-N 3.11Å; A46-F272 HydrophobicContact CB-CE2 3.76Å; A46-F272 HydrophobicContact CB-CZ 4.18Å; Y196-F272 AromaticContact CD1-CD1 4Å; Y196-F272 HydrophobicContact CD1-CD1 4Å; Y196-F272 AromaticContact CE1-CD1 3.55Å; Y196-F272 HydrophobicContact CE1-CD1 3.55Å; Y196-F272 HydrophobicContact CE1-CE1 4.09Å; Y196-F272 HydrophobicContact CE1-CG 4.41Å; I270-F272 HydrophobicContact CB-CE2 4.46Å; I270-F272 HydrophobicContact CG2-CD2 4.46Å; I270-F272 HydrophobicContact CG2-CE1 4.37Å; I270-F272 HydrophobicContact CG2-CE2 4.06Å; I270-F272 HydrophobicContact CG2-CZ 4.01Å; F272-Y274 PolarHBondContact O-N 2.98Å; F272-A275 WeakPolarHBondContact O-CB 3.16Å; F272-A275 PolarHBondContact O-N 3.4Å | ||
| 273 | P | 97.8 | Very high | 98 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46 | 125.9 | 180 | -35.9 | 35 | 0 | 0 | 0 | 115 | D194 Y196 A275 W297 Y300 | D194-P273 VanDerWaalsContact O-CA 3.24Å; D194-P273 WeakPolarHBondContact O-CA 3.48Å; D194-P273 VanDerWaalsContact O-CB 3.3Å; D194-P273 WeakPolarHBondContact O-CB 3.36Å; Y196-P273 VanDerWaalsContact CD1-CD 3.49Å; Y196-P273 HydrophobicContact CD1-CG 4.39Å; Y196-P273 HydrophobicContact CD2-CG 3.59Å; Y196-P273 VanDerWaalsContact CE1-CD 3.46Å; Y196-P273 HydrophobicContact CE1-CG 4.22Å; Y196-P273 HydrophobicContact CE2-CG 3.39Å; Y196-P273 HydrophobicContact CG-CG 4.08Å; Y196-P273 VanDerWaalsContact CZ-CD 3.48Å; P273-A275 PolarHBondContact O-N 3.09Å; P273-W297 HydrophobicContact CG-CB 4.15Å; P273-Y300 HydrophobicContact CB-CD1 3.64Å; P273-Y300 HydrophobicContact CB-CD2 3.78Å; P273-Y300 HydrophobicContact CB-CE1 3.84Å; P273-Y300 HydrophobicContact CB-CE2 4.01Å; P273-Y300 HydrophobicContact CB-CG 3.57Å; P273-Y300 VanDerWaalsContact O-CE1 3.24Å; P273-Y300 WeakPolarHBondContact O-CE1 3.47Å |
| 274 | Y | 97.6 | Very high | 98 | Very high | 14 Ų | 14 | 12 Ų | 12 | 6% | 0.055 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 17.2 | -176.5 | -172 | -110.6 | 0 | 0 | 0 | 115.4 | T190 P214 K218 E221 F272 Y276 | T190-Y274 HydrophobicContact CG2-CD2 4.05Å; P214-Y274 HydrophobicContact CB-CD1 4.25Å; P214-Y274 WeakPolarHBondContact O-CE1 3.47Å; K218-Y274 WeakPolarHBondContact CD-OH 3.49Å; K218-Y274 WeakPolarHBondContact CE-OH 3.19Å; K218-Y274 HydrophobicContact CG-CE1 4.34Å; K218-Y274 VanDerWaalsContact CG-OH 3.29Å; K218-Y274 WeakPolarHBondContact CG-OH 3.41Å; K218-Y274 PolarHBondContact N-OH 3.47Å; K218-Y274 PolarHBondContact NZ-OH 3.46Å; E221-Y274 WeakPolarHBondContact OE1-CE2 3.23Å; E221-Y274 PolarHBondContact OE1-OH 3.16Å; F272-Y274 PolarHBondContact O-N 2.98Å; Y274-Y276 HydrophobicContact CD2-CE2 4.49Å; Y274-Y276 AromaticContact CE2-CE2 3.81Å; Y274-Y276 HydrophobicContact CE2-CE2 3.81Å; Y274-Y276 PolarHBondContact O-N 3.28Å |
| 275 | A | 96.8 | Very high | 98 | Very high | 2 Ų | 2 | 7.6 Ų | 7.6 | 2% | 0.017 | 5% | 0.052 | C | C | . | . | trans | -75.8 | 116.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | G44 P214 F272 P273 H277 | G44-A275 WeakPolarHBondContact O-CB 3.27Å; P214-A275 HydrophobicContact CG-CB 4.09Å; F272-A275 WeakPolarHBondContact O-CB 3.16Å; F272-A275 PolarHBondContact O-N 3.4Å; P273-A275 PolarHBondContact O-N 3.09Å; A275-H277 PolarHBondContact O-ND1 2.96Å | ||
| 276 | Y | 98.4 | Very high | 98 | Very high | 13 Ų | 13 | 5 Ų | 5 | 5% | 0.051 | 3% | 0.03 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 131.5 | 174.9 | -88.9 | -79.4 | 0 | 0 | 0 | 109.9 | W188 H189 T190 C211 V212 L220 E221 L239 Y274 | W188-Y276 WeakPolarHBondContact CZ3-O 3.48Å; H189-Y276 VanDerWaalsContact C-CD1 3.5Å; H189-Y276 WeakPolarHBondContact O-CA 3.49Å; T190-Y276 HydrophobicContact CG2-CD1 3.91Å; T190-Y276 HydrophobicContact CG2-CD2 3.74Å; T190-Y276 HydrophobicContact CG2-CE1 3.9Å; T190-Y276 HydrophobicContact CG2-CE2 3.79Å; T190-Y276 HydrophobicContact CG2-CG 3.82Å; C211-Y276 CarbonylContact C-O 3.57Å; C211-Y276 WeakPolarHBondContact CA-O 3.23Å; C211-Y276 PolarHBondContact SG-O 3.38Å; C211-Y276 VanDerWaalsContact SG-O 3.41Å; V212-Y276 PolarHBondContact N-O 2.94Å; V212-Y276 PolarHBondContact O-N 2.86Å; L220-Y276 HydrophobicContact CD2-CD1 3.92Å; L220-Y276 HydrophobicContact CD2-CD2 4.27Å; L220-Y276 HydrophobicContact CD2-CG 3.65Å; E221-Y276 HydrophobicContact CG-CE2 4.09Å; E221-Y276 WeakPolarHBondContact CG-OH 3.45Å; L239-Y276 HydrophobicContact CB-CE1 4.06Å; L239-Y276 HydrophobicContact CD1-CD1 4.33Å; L239-Y276 HydrophobicContact CD1-CE1 3.51Å; L239-Y276 HydrophobicContact CG-CE1 4.42Å; Y274-Y276 HydrophobicContact CD2-CE2 4.49Å; Y274-Y276 AromaticContact CE2-CE2 3.81Å; Y274-Y276 HydrophobicContact CE2-CE2 3.81Å; Y274-Y276 PolarHBondContact O-N 3.28Å |
| 277 | H | 98.4 | Very high | 98.1 | Very high | 4 Ų | 4 | 4 Ų | 4 | 2% | 0.019 | 2% | 0.019 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 157.7 | 178.4 | 66.3 | -90 | 0 | 0 | 0 | 112.4 | F186 A187 W188 H189 E191 W209 Y210 A275 | F186-H277 AromaticContact CE2-CD2 3.99Å; A187-H277 VanDerWaalsContact O-O 3.04Å; W188-H277 WeakPolarHBondContact CA-O 3.08Å; H189-H277 AromaticContact CE1-CD2 3.91Å; H189-H277 AromaticContact CE1-CE1 3.84Å; H189-H277 AromaticContact CE1-NE2 3.16Å; H189-H277 PolarHBondContact CE1-NE2 2.97Å; H189-H277 PolarHBondContact N-O 2.99Å; H189-H277 VanDerWaalsContact N-O 3.12Å; H189-H277 AromaticContact ND1-NE2 3.76Å; H189-H277 AromaticContact NE2-NE2 3.68Å; H189-H277 PolarHBondContact O-N 3.4Å; E191-H277 IonicContact OE1-CE1 3.66Å; E191-H277 PolarHBondContact OE1-CE1 3.36Å; E191-H277 IonicContact OE1-NE2 3.88Å; W209-H277 AromaticContact CZ3-CD2 3.73Å; Y210-H277 WeakPolarHBondContact O-CA 3.38Å; Y210-H277 WeakPolarHBondContact O-CB 3.2Å; A275-H277 PolarHBondContact O-ND1 2.96Å |
| 278 | A | 98.4 | Very high | 98 | Very high | 4 Ų | 4 | 3 Ų | 3 | 3% | 0.033 | 2% | 0.015 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 167.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | F186 W188 Y210 | F186-A278 WeakPolarHBondContact O-CA 3.46Å; W188-A278 HydrophobicContact CB-CB 4.43Å; W188-A278 HydrophobicContact CD2-CB 3.49Å; W188-A278 VanDerWaalsContact CD2-CB 3.49Å; W188-A278 HydrophobicContact CE3-CB 3.91Å; W188-A278 HydrophobicContact CG-CB 3.74Å; W188-A278 HydrophobicContact CH2-CB 4.45Å; W188-A278 HydrophobicContact CZ2-CB 4.06Å; W188-A278 HydrophobicContact CZ3-CB 4.38Å; Y210-A278 PolarHBondContact N-O 3.22Å; Y210-A278 PolarHBondContact O-N 3.22Å; Y210-A278 VanDerWaalsContact O-N 3.08Å |
| 279 | G | 97.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 4 Ų | 4 | 3% | 0.031 | 2% | 0.022 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.4 | -172.3 | 179 | 0 | 0 | 0 | 0 | 0 | 115.5 | T185 F186 S208 | T185-G279 WeakPolarHBondContact CA-O 3.27Å; F186-G279 WeakPolarHBondContact CD1-O 3.29Å; F186-G279 VanDerWaalsContact CE2-N 3.32Å; F186-G279 PolarHBondContact N-O 2.81Å; F186-G279 PolarHBondContact O-N 3.1Å; S208-G279 CarbonylContact O-C 3.59Å; S208-G279 WeakPolarHBondContact O-CA 3.48Å |
| 280 | F | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 2% | 0.024 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 151.6 | -176.9 | 66.6 | -87 | 0 | 0 | 0 | 113.2 | E119 Y122 W182 T184 S208 Y210 H282 | E119-F280 HydrophobicContact CB-CZ 4.4Å; Y122-F280 AromaticContact CD1-CD1 3.53Å; Y122-F280 HydrophobicContact CD1-CD1 3.53Å; Y122-F280 AromaticContact CD1-CE1 3.7Å; Y122-F280 HydrophobicContact CD1-CE1 3.7Å; Y122-F280 AromaticContact CD1-CG 3.99Å; Y122-F280 HydrophobicContact CD1-CG 3.99Å; Y122-F280 HydrophobicContact CD1-CZ 4.29Å; Y122-F280 HydrophobicContact CD2-CB 3.81Å; Y122-F280 HydrophobicContact CD2-CD1 4.05Å; Y122-F280 AromaticContact CD2-CD2 3.82Å; Y122-F280 HydrophobicContact CD2-CD2 3.82Å; Y122-F280 HydrophobicContact CD2-CE2 4.43Å; Y122-F280 AromaticContact CD2-CG 3.61Å; Y122-F280 HydrophobicContact CD2-CG 3.61Å; Y122-F280 HydrophobicContact CE1-CB 4.32Å; Y122-F280 AromaticContact CE1-CD1 3.6Å; Y122-F280 HydrophobicContact CE1-CD1 3.6Å; Y122-F280 HydrophobicContact CE1-CE1 4.18Å; Y122-F280 HydrophobicContact CE1-CG 4.08Å; Y122-F280 HydrophobicContact CE2-CB 3.43Å; Y122-F280 VanDerWaalsContact CE2-CB 3.43Å; Y122-F280 HydrophobicContact CE2-CD1 4.12Å; Y122-F280 HydrophobicContact CE2-CD2 4.35Å; Y122-F280 AromaticContact CE2-CG 3.72Å; Y122-F280 HydrophobicContact CE2-CG 3.72Å; Y122-F280 HydrophobicContact CG-CB 4.42Å; Y122-F280 AromaticContact CG-CD1 3.78Å; Y122-F280 HydrophobicContact CG-CD1 3.78Å; Y122-F280 AromaticContact CG-CD2 3.95Å; Y122-F280 HydrophobicContact CG-CD2 3.95Å; Y122-F280 AromaticContact CG-CE1 3.98Å; Y122-F280 HydrophobicContact CG-CE1 3.98Å; Y122-F280 HydrophobicContact CG-CE2 4.14Å; Y122-F280 AromaticContact CG-CG 3.78Å; Y122-F280 HydrophobicContact CG-CG 3.78Å; Y122-F280 HydrophobicContact CG-CZ 4.16Å; Y122-F280 AromaticContact CZ-CD1 3.92Å; Y122-F280 AromaticContact CZ-CG 3.96Å; W182-F280 HydrophobicContact CZ3-CD2 4.22Å; W182-F280 HydrophobicContact CZ3-CE2 4.08Å; T184-F280 CarbonylContact O-C 3.02Å; T184-F280 VanDerWaalsContact O-CA 3.24Å; T184-F280 WeakPolarHBondContact O-CA 3.48Å; S208-F280 PolarHBondContact N-O 3.08Å; S208-F280 PolarHBondContact O-N 2.84Å; Y210-F280 HydrophobicContact CE2-CD1 4.33Å; Y210-F280 HydrophobicContact CE2-CE1 4.27Å; F280-H282 AromaticContact CE2-CD2 3.68Å; F280-H282 AromaticContact CE2-NE2 3.9Å |
| 281 | N | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.027 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 140.8 | 173.3 | -59.7 | -63.4 | 0 | 0 | 0 | 111.2 | Y133 K183 T184 K207 N285 | Y133-N281 WeakPolarHBondContact CE2-ND2 3.46Å; K183-N281 PolarHBondContact N-O 2.76Å; T184-N281 PolarHBondContact O-N 2.93Å; T184-N281 WeakPolarHBondContact OG1-CB 3.44Å; T184-N281 PolarHBondContact OG1-ND2 2.99Å; K207-N281 WeakPolarHBondContact CG-OD1 3.46Å; K207-N281 PolarHBondContact NZ-OD1 3.06Å; N281-N285 PolarHBondContact OD1-ND2 2.96Å; N281-N285 PolarHBondContact OD1-OD1 3.31Å |
| 282 | H | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 5 Ų | 5 | 1% | 0.005 | 3% | 0.027 | C | C | . | . | S | Bend | trans | -77 | -31 | -176.4 | -71.4 | -156.4 | 0 | 0 | 0 | 112.3 | S109 F115 L118 W182 E205 P206 S208 F280 | S109-H282 WeakPolarHBondContact CB-O 3.48Å; S109-H282 PolarHBondContact OG-O 2.62Å; F115-H282 AromaticContact CD1-CE1 3.47Å; F115-H282 VanDerWaalsContact CD1-CE1 3.47Å; F115-H282 WeakPolarHBondContact CD1-CE1 3.5Å; F115-H282 AromaticContact CD1-ND1 3.8Å; F115-H282 AromaticContact CE1-CE1 3.7Å; F115-H282 AromaticContact CE1-ND1 3.74Å; L118-H282 HydrophobicContact CD2-CB 3.84Å; L118-H282 VanDerWaalsContact CD2-CG 3.48Å; L118-H282 WeakPolarHBondContact CD2-ND1 3.37Å; W182-H282 WeakPolarHBondContact CB-O 3.38Å; W182-H282 VanDerWaalsContact CE3-O 3.23Å; E205-H282 HydrophobicContact CB-CB 4.17Å; P206-H282 VanDerWaalsContact O-CB 3.28Å; P206-H282 WeakPolarHBondContact O-CB 3.3Å; P206-H282 PolarHBondContact O-CD2 3.12Å; P206-H282 PolarHBondContact O-N 3.21Å; S208-H282 PolarHBondContact OG-NE2 2.94Å; F280-H282 AromaticContact CE2-CD2 3.68Å; F280-H282 AromaticContact CE2-NE2 3.9Å |
| 283 | G | 97.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 5 Ų | 5 | 1% | 0.01 | 3% | 0.028 | C | C | . | . | S | Bend | trans | -171.1 | -150.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | S109 G180 M181 N285 | S109-G283 VanDerWaalsContact OG-CA 3.26Å; S109-G283 WeakPolarHBondContact OG-CA 3.35Å; G180-G283 CarbonylContact C-O 3.49Å; M181-G283 CarbonylContact C-O 3.56Å; M181-G283 WeakPolarHBondContact CA-O 3.41Å; G283-N285 PolarHBondContact O-N 3.22Å |
| 284 | F | 98.2 | Very high | 97 | Very high | 19 Ų | 19 | 5.5 Ų | 5.5 | 8% | 0.083 | 3% | 0.031 | C | C | . | . | S | Bend | trans | -68.2 | 121.8 | 178.2 | 175.6 | -107.2 | 0 | 0 | 0 | 111.4 | V95 F98 R99 A102 N103 G180 F203 G204 E205 | V95-F284 HydrophobicContact CG1-CZ 4.24Å; F98-F284 HydrophobicContact CD1-CD2 4.14Å; F98-F284 AromaticContact CD1-CE2 3.97Å; F98-F284 HydrophobicContact CD1-CE2 3.97Å; F98-F284 HydrophobicContact CE1-CD2 4.24Å; F98-F284 HydrophobicContact CE1-CE2 4.38Å; R99-F284 HydrophobicContact CB-CD1 4.49Å; R99-F284 HydrophobicContact CB-CD2 4.09Å; R99-F284 HydrophobicContact CB-CE1 4.14Å; R99-F284 HydrophobicContact CB-CE2 3.71Å; R99-F284 HydrophobicContact CB-CG 4.47Å; R99-F284 HydrophobicContact CB-CZ 3.73Å; R99-F284 HydrophobicContact CG-CD1 3.75Å; R99-F284 HydrophobicContact CG-CD2 4.14Å; R99-F284 HydrophobicContact CG-CE1 3.62Å; R99-F284 HydrophobicContact CG-CE2 4.04Å; R99-F284 HydrophobicContact CG-CG 4.01Å; R99-F284 HydrophobicContact CG-CZ 3.77Å; A102-F284 HydrophobicContact CB-CB 3.9Å; A102-F284 HydrophobicContact CB-CD2 4Å; A102-F284 HydrophobicContact CB-CG 4.33Å; N103-F284 WeakPolarHBondContact OD1-CB 3.09Å; G180-F284 VanDerWaalsContact O-CA 3.3Å; G180-F284 WeakPolarHBondContact O-CA 3.19Å; F203-F284 HydrophobicContact CD2-CE1 4.35Å; F203-F284 AromaticContact CE2-CE1 3.67Å; F203-F284 HydrophobicContact CE2-CE1 3.67Å; F203-F284 AromaticContact CE2-CZ 3.9Å; F203-F284 HydrophobicContact CE2-CZ 3.9Å; G204-F284 WeakPolarHBondContact CA-O 3.41Å; E205-F284 PolarHBondContact N-O 2.72Å |
| 285 | N | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 169 | 176.6 | 70.3 | 18.2 | 0 | 0 | 0 | 112.8 | F179 G180 L201 F203 E205 N281 G283 | F179-N285 CarbonylContact C-O 3.53Å; F179-N285 WeakPolarHBondContact CA-O 3.37Å; G180-N285 VanDerWaalsContact CA-OD1 3.27Å; G180-N285 WeakPolarHBondContact CA-OD1 3.09Å; G180-N285 PolarHBondContact N-O 2.83Å; G180-N285 PolarHBondContact N-OD1 2.76Å; G180-N285 PolarHBondContact O-N 3.38Å; G180-N285 VanDerWaalsContact O-N 3.15Å; L201-N285 HydrophobicContact CD1-CB 4.02Å; F203-N285 WeakPolarHBondContact O-CA 3.41Å; F203-N285 WeakPolarHBondContact O-CB 3.43Å; E205-N285 WeakPolarHBondContact O-CB 3.24Å; E205-N285 PolarHBondContact O-ND2 3.07Å; N281-N285 PolarHBondContact OD1-ND2 2.96Å; N281-N285 PolarHBondContact OD1-OD1 3.31Å; G283-N285 PolarHBondContact O-N 3.22Å |
| 286 | C | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 130.3 | 168.2 | -173.9 | 0 | 0 | 0 | 0 | 110.2 | Y178 F179 H202 F203 | Y178-C286 WeakPolarHBondContact O-CA 3.35Å; F179-C286 HydrophobicContact CD1-CB 3.88Å; F179-C286 HydrophobicContact CE1-CB 3.84Å; F179-C286 WeakPolarHBondContact CE1-SG 3.43Å; H202-C286 PolarHBondContact N-O 2.99Å; F203-C286 HydrophobicContact CD1-CB 4.23Å; F203-C286 HydrophobicContact CD2-CB 4.38Å; F203-C286 HydrophobicContact CE1-CB 3.49Å; F203-C286 VanDerWaalsContact CE1-CB 3.49Å; F203-C286 HydrophobicContact CE2-CB 3.66Å; F203-C286 HydrophobicContact CZ-CB 3.15Å; F203-C286 PolarHBondContact O-N 2.7Å; F203-C286 VanDerWaalsContact O-N 3.11Å |
| 287 | A | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 151.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L177 Y178 Y200 L201 | L177-A287 CarbonylContact C-O 3.34Å; L177-A287 WeakPolarHBondContact CA-O 3.47Å; Y178-A287 PolarHBondContact N-O 3.16Å; Y178-A287 PolarHBondContact O-N 3.13Å; Y200-A287 CarbonylContact O-C 3.5Å; Y200-A287 WeakPolarHBondContact O-CA 3.28Å; Y200-A287 WeakPolarHBondContact O-CB 3.41Å; L201-A287 HydrophobicContact CD1-CB 3.84Å |
| 288 | E | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 142.4 | 172.8 | -175.6 | 170.7 | 149.9 | 0 | 0 | 109.5 | S140 L141 I151 P175 Y176 L177 N199 Y200 H202 | S140-E288 VanDerWaalsContact CA-OE2 3.27Å; S140-E288 WeakPolarHBondContact CA-OE2 3.28Å; S140-E288 VanDerWaalsContact CB-OE1 3.22Å; S140-E288 WeakPolarHBondContact CB-OE1 3.22Å; S140-E288 VanDerWaalsContact OG-CD 3.24Å; S140-E288 PolarHBondContact OG-OE1 2.99Å; S140-E288 PolarHBondContact OG-OE2 3.36Å; S140-E288 VanDerWaalsContact OG-OE2 3.1Å; L141-E288 PolarHBondContact N-OE2 2.86Å; I151-E288 HydrophobicContact CB-CG 4.38Å; I151-E288 HydrophobicContact CD1-CB 4.14Å; I151-E288 HydrophobicContact CD1-CG 4.04Å; I151-E288 HydrophobicContact CG2-CG 4.19Å; P175-E288 HydrophobicContact CB-CG 4.04Å; P175-E288 WeakPolarHBondContact CB-OE1 3.45Å; Y176-E288 WeakPolarHBondContact O-CA 3.28Å; L177-E288 HydrophobicContact CD2-CB 3.73Å; L177-E288 HydrophobicContact CD2-CG 3.75Å; L177-E288 WeakPolarHBondContact CD2-OE2 3.45Å; N199-E288 CarbonylContact C-O 3.55Å; N199-E288 WeakPolarHBondContact CA-O 3.43Å; N199-E288 PolarHBondContact ND2-O 3.45Å; Y200-E288 PolarHBondContact N-O 2.83Å; Y200-E288 PolarHBondContact O-N 3.2Å; H202-E288 IonicContact CE1-OE2 3.73Å; H202-E288 WeakPolarHBondContact NE2-CB 3.24Å; H202-E288 IonicContact NE2-OE2 3.08Å; H202-E288 PolarHBondContact NE2-OE2 3.17Å |
| 289 | S | 95 | Very high | 96.2 | Very high | 19 Ų | 19 | 9.5 Ų | 9.5 | 13% | 0.133 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 155.8 | 175.4 | 32.2 | 0 | 0 | 0 | 0 | 113.6 | Y176 Y178 I198 N199 | Y176-S289 PolarHBondContact N-O 2.81Å; Y176-S289 PolarHBondContact O-N 2.84Å; Y178-S289 WeakPolarHBondContact CD2-OG 3.44Å; Y178-S289 WeakPolarHBondContact CE2-OG 3.47Å; I198-S289 WeakPolarHBondContact O-CA 3.5Å; I198-S289 WeakPolarHBondContact O-CB 3.31Å; N199-S289 WeakPolarHBondContact ND2-CB 3.48Å; N199-S289 PolarHBondContact ND2-OG 2.91Å |
| 290 | T | 94.4 | Very high | 96.1 | Very high | 7 Ų | 7 | 9.8 Ų | 9.8 | 4% | 0.043 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 173.7 | 166.3 | -157.9 | 0 | 0 | 0 | 0 | 110 | I151 L154 T174 S197 I198 | I151-T290 HydrophobicContact CG2-CG2 3.62Å; I151-T290 WeakPolarHBondContact O-CG2 3.27Å; L154-T290 HydrophobicContact CD1-CG2 3.76Å; T174-T290 PolarHBondContact O-OG1 2.79Å; S197-T290 WeakPolarHBondContact CA-O 3.49Å; I198-T290 HydrophobicContact CG2-CG2 4.3Å; I198-T290 PolarHBondContact N-O 3.33Å; I198-T290 VanDerWaalsContact N-O 3.15Å; I198-T290 PolarHBondContact O-N 2.58Å |
| 291 | N | 94.5 | Very high | 95.9 | Very high | 14 Ų | 14 | 10 Ų | 10 | 8% | 0.075 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 156.5 | 173.7 | -64.5 | 120.8 | 0 | 0 | 0 | 112.1 | V172 E191 L195 Y196 | V172-N291 HydrophobicContact CG1-CB 4.25Å; V172-N291 WeakPolarHBondContact O-CB 3.39Å; E191-N291 VanDerWaalsContact CD-ND2 3.31Å; E191-N291 WeakPolarHBondContact CG-ND2 3.43Å; E191-N291 PolarHBondContact OE2-ND2 3.06Å; L195-N291 HydrophobicContact CB-CB 4.06Å; L195-N291 HydrophobicContact CD1-CB 3.75Å; L195-N291 HydrophobicContact CG-CB 4.46Å; Y196-N291 VanDerWaalsContact O-CA 3.26Å; Y196-N291 WeakPolarHBondContact O-CA 3.4Å; Y196-N291 WeakPolarHBondContact O-CB 2.95Å; Y196-N291 PolarHBondContact O-ND2 3.49Å |
| 292 | F | 94.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.009 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 170.7 | 173.5 | 72.3 | -89.5 | 0 | 0 | 0 | 112.1 | F28 I32 L154 T156 L195 Y196 I198 I270 T294 | F28-F292 HydrophobicContact CE1-CD1 4.38Å; F28-F292 AromaticContact CE1-CD2 3.83Å; F28-F292 HydrophobicContact CE1-CD2 3.83Å; F28-F292 HydrophobicContact CE1-CE1 4.48Å; F28-F292 AromaticContact CE1-CE2 3.94Å; F28-F292 HydrophobicContact CE1-CE2 3.94Å; F28-F292 HydrophobicContact CE1-CG 4.06Å; F28-F292 HydrophobicContact CE1-CZ 4.27Å; F28-F292 AromaticContact CZ-CD1 3.98Å; F28-F292 HydrophobicContact CZ-CD1 3.98Å; F28-F292 HydrophobicContact CZ-CD2 4.02Å; F28-F292 AromaticContact CZ-CE1 3.74Å; F28-F292 HydrophobicContact CZ-CE1 3.74Å; F28-F292 AromaticContact CZ-CE2 3.78Å; F28-F292 HydrophobicContact CZ-CE2 3.78Å; F28-F292 HydrophobicContact CZ-CG 4.11Å; F28-F292 AromaticContact CZ-CZ 3.64Å; F28-F292 HydrophobicContact CZ-CZ 3.64Å; I32-F292 HydrophobicContact CD1-CE2 4.38Å; I32-F292 HydrophobicContact CD1-CZ 4Å; I32-F292 HydrophobicContact CG1-CE2 4.08Å; I32-F292 HydrophobicContact CG1-CZ 4.21Å; I32-F292 HydrophobicContact CG2-CE2 4.23Å; L154-F292 HydrophobicContact CD1-CB 3.96Å; L154-F292 HydrophobicContact CD1-CD1 4.32Å; L154-F292 HydrophobicContact CD1-CG 4.39Å; T156-F292 HydrophobicContact CG2-CB 4Å; T156-F292 HydrophobicContact CG2-CD2 4.32Å; L195-F292 WeakPolarHBondContact CD2-O 3.35Å; Y196-F292 VanDerWaalsContact CB-CE1 3.45Å; Y196-F292 WeakPolarHBondContact CB-O 3.4Å; Y196-F292 AromaticContact CD1-CE2 3.7Å; Y196-F292 HydrophobicContact CD1-CE2 3.7Å; Y196-F292 AromaticContact CD1-CZ 3.64Å; Y196-F292 HydrophobicContact CD1-CZ 3.64Å; Y196-F292 HydrophobicContact CD2-CD2 4.28Å; Y196-F292 HydrophobicContact CD2-CE2 4.09Å; Y196-F292 WeakPolarHBondContact CD2-O 3.42Å; Y196-F292 HydrophobicContact CE1-CE2 4.37Å; Y196-F292 HydrophobicContact CG-CD2 4.04Å; Y196-F292 HydrophobicContact CG-CE1 4.27Å; Y196-F292 AromaticContact CG-CE2 3.54Å; Y196-F292 HydrophobicContact CG-CE2 3.54Å; Y196-F292 AromaticContact CG-CZ 3.68Å; Y196-F292 HydrophobicContact CG-CZ 3.68Å; Y196-F292 PolarHBondContact N-O 3.18Å; Y196-F292 VanDerWaalsContact N-O 3.12Å; Y196-F292 PolarHBondContact O-N 3.36Å; Y196-F292 VanDerWaalsContact O-N 3.13Å; I198-F292 HydrophobicContact CB-CD1 4.21Å; I198-F292 HydrophobicContact CB-CE1 4.01Å; I198-F292 HydrophobicContact CG2-CD1 4.19Å; I270-F292 HydrophobicContact CD1-CE1 4.17Å; I270-F292 HydrophobicContact CD1-CZ 4.35Å; I270-F292 HydrophobicContact CG2-CE1 4.38Å; I270-F292 HydrophobicContact CG2-CZ 3.98Å; F292-T294 HydrophobicContact CE2-CG2 4.48Å |
| 293 | A | 94.4 | Very high | 95.3 | Very high | 3 Ų | 3 | 16 Ų | 16 | 3% | 0.025 | 8% | 0.078 | C | C | . | . | trans | -136.8 | 148.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T156 I157 L158 L195 W297 | T156-A293 WeakPolarHBondContact CB-O 3.4Å; I157-A293 HydrophobicContact CD1-CB 4.21Å; I157-A293 HydrophobicContact CG1-CB 3.58Å; L158-A293 HydrophobicContact CB-CB 4.06Å; L195-A293 HydrophobicContact CD2-CB 3.87Å; A293-W297 HydrophobicContact CB-CB 4.4Å; A293-W297 HydrophobicContact CB-CD2 4.03Å; A293-W297 HydrophobicContact CB-CE3 3.61Å; A293-W297 HydrophobicContact CB-CG 4.37Å; A293-W297 HydrophobicContact CB-CZ3 4.22Å | ||
| 294 | T | 95 | Very high | 95.1 | Very high | 9 Ų | 9 | 16.6 Ų | 16.6 | 6% | 0.055 | 8% | 0.084 | C | C | . | . | trans | -121.8 | 171.4 | 165.2 | 75.1 | 0 | 0 | 0 | 0 | 108.6 | I32 I157 Y196 F292 R296 W297 T348 E350 | I32-T294 HydrophobicContact CG2-CG2 3.95Å; I157-T294 WeakPolarHBondContact CD1-O 3.35Å; Y196-T294 HydrophobicContact CE1-CG2 4.45Å; Y196-T294 HydrophobicContact CE2-CG2 3.78Å; Y196-T294 WeakPolarHBondContact CE2-OG1 3.41Å; Y196-T294 PolarHBondContact OH-OG1 2.91Å; F292-T294 HydrophobicContact CE2-CG2 4.48Å; T294-R296 PolarHBondContact O-N 3.28Å; T294-R296 VanDerWaalsContact O-N 3.12Å; T294-R296 PolarHBondContact OG1-N 3.26Å; T294-W297 WeakPolarHBondContact O-CB 3.5Å; T294-W297 PolarHBondContact O-N 3.48Å; T294-T348 WeakPolarHBondContact CB-OG1 3.33Å; T294-T348 PolarHBondContact OG1-OG1 3.1Å; T294-E350 WeakPolarHBondContact CB-OE1 3.43Å | ||
| 295 | E | 93.5 | Very high | 94.9 | Very high | 71 Ų | 71 | 18.5 Ų | 18.5 | 33% | 0.332 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -31.3 | 178.9 | -71.1 | -175.9 | -173.5 | 0 | 0 | 113 | W297 I298 Y325 P349 E350 | E295-W297 VanDerWaalsContact C-N 3.29Å; E295-W297 PolarHBondContact O-N 3.46Å; E295-I298 WeakPolarHBondContact O-CB 3.18Å; E295-I298 WeakPolarHBondContact O-CG1 3.43Å; E295-I298 PolarHBondContact O-N 2.83Å; E295-Y325 HydrophobicContact CG-CD1 3.9Å; E295-Y325 HydrophobicContact CG-CE1 4.35Å; E295-P349 HydrophobicContact CB-CG 3.92Å; E295-E350 PolarHBondContact N-OE1 2.86Å |
| 296 | R | 95.1 | Very high | 94.6 | Very high | 23 Ų | 23 | 20.9 Ų | 20.9 | 9% | 0.087 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -33.5 | 174.7 | -168.7 | 168.6 | 69.3 | 75.1 | 2.9 | 114 | E36 Y196 T294 I298 Y300 K346 T348 | E36-R296 IonicContact OE1-CZ 3.31Å; E36-R296 IonicContact OE1-NE 3.48Å; E36-R296 PolarHBondContact OE1-NE 3.39Å; E36-R296 IonicContact OE1-NH2 3.46Å; E36-R296 PolarHBondContact OE1-NH2 2.92Å; E36-R296 IonicContact OE2-CZ 3.4Å; E36-R296 IonicContact OE2-NE 2.71Å; E36-R296 PolarHBondContact OE2-NE 3.38Å; E36-R296 IonicContact OE2-NH2 3.41Å; Y196-R296 PolarHBondContact OH-NH2 3.36Å; T294-R296 PolarHBondContact O-N 3.28Å; T294-R296 VanDerWaalsContact O-N 3.12Å; T294-R296 PolarHBondContact OG1-N 3.26Å; R296-I298 PolarHBondContact O-N 3.01Å; R296-Y300 HydrophobicContact CG-CE2 4.22Å; R296-Y300 VanDerWaalsContact NH1-CE2 3.28Å; R296-Y300 PolarHBondContact NH1-OH 3.37Å; R296-Y300 WeakPolarHBondContact O-CD2 3.38Å; R296-K346 VanDerWaalsContact CD-O 3.24Å; R296-K346 WeakPolarHBondContact CD-O 3.22Å; R296-T348 VanDerWaalsContact CB-OG1 3.25Å; R296-T348 WeakPolarHBondContact CB-OG1 3.35Å; R296-T348 PolarHBondContact N-OG1 2.88Å |
| 297 | W | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.8 | -24.7 | -178.8 | 164.2 | 75 | 0 | 0 | 0 | 112.4 | M193 D194 L195 Y196 P273 A293 T294 E295 E299 Y300 G301 I316 M318 F321 | M193-W297 HydrophobicContact CB-CZ2 3.93Å; M193-W297 PolarHBondContact O-NE1 2.86Å; D194-W297 VanDerWaalsContact O-CD1 3.24Å; L195-W297 HydrophobicContact CD2-CD2 3.63Å; L195-W297 HydrophobicContact CD2-CE3 4.21Å; L195-W297 HydrophobicContact CD2-CG 4.01Å; L195-W297 HydrophobicContact CD2-CH2 4.19Å; L195-W297 HydrophobicContact CD2-CZ2 3.64Å; L195-W297 HydrophobicContact CD2-CZ3 4.46Å; L195-W297 HydrophobicContact CG-CZ2 4.02Å; Y196-W297 HydrophobicContact CD2-CB 4.35Å; Y196-W297 HydrophobicContact CE2-CB 3.98Å; P273-W297 HydrophobicContact CG-CB 4.15Å; A293-W297 HydrophobicContact CB-CB 4.4Å; A293-W297 HydrophobicContact CB-CD2 4.03Å; A293-W297 HydrophobicContact CB-CE3 3.61Å; A293-W297 HydrophobicContact CB-CG 4.37Å; A293-W297 HydrophobicContact CB-CZ3 4.22Å; T294-W297 WeakPolarHBondContact O-CB 3.5Å; T294-W297 PolarHBondContact O-N 3.48Å; E295-W297 VanDerWaalsContact C-N 3.29Å; E295-W297 PolarHBondContact O-N 3.46Å; W297-E299 VanDerWaalsContact C-N 3.26Å; W297-E299 PolarHBondContact O-N 3.04Å; W297-E299 VanDerWaalsContact O-N 3.15Å; W297-Y300 CarbonylContact O-C 3.57Å; W297-Y300 WeakPolarHBondContact O-CA 3.44Å; W297-Y300 WeakPolarHBondContact O-CB 3.25Å; W297-Y300 PolarHBondContact O-N 3.25Å; W297-G301 PolarHBondContact O-N 3.29Å; W297-I316 HydrophobicContact CH2-CG2 4.49Å; W297-M318 HydrophobicContact CE3-CE 4.37Å; W297-M318 HydrophobicContact CH2-CE 3.6Å; W297-M318 HydrophobicContact CH2-SD 3.51Å; W297-M318 VanDerWaalsContact CH2-SD 3.51Å; W297-M318 HydrophobicContact CZ2-CE 4.08Å; W297-M318 HydrophobicContact CZ2-SD 3.83Å; W297-M318 HydrophobicContact CZ3-CE 3.75Å; W297-M318 HydrophobicContact CZ3-SD 4.26Å; W297-F321 HydrophobicContact CE3-CE1 4.48Å; W297-F321 HydrophobicContact CH2-CD2 4.16Å; W297-F321 HydrophobicContact CH2-CE1 4.49Å; W297-F321 AromaticContact CH2-CE2 3.78Å; W297-F321 HydrophobicContact CH2-CE2 3.78Å; W297-F321 AromaticContact CH2-CZ 3.93Å; W297-F321 HydrophobicContact CH2-CZ 3.93Å; W297-F321 AromaticContact CZ3-CD1 3.87Å; W297-F321 HydrophobicContact CZ3-CD1 3.87Å; W297-F321 AromaticContact CZ3-CD2 3.91Å; W297-F321 HydrophobicContact CZ3-CD2 3.91Å; W297-F321 AromaticContact CZ3-CE1 3.65Å; W297-F321 HydrophobicContact CZ3-CE1 3.65Å; W297-F321 AromaticContact CZ3-CE2 3.7Å; W297-F321 HydrophobicContact CZ3-CE2 3.7Å; W297-F321 AromaticContact CZ3-CG 3.97Å; W297-F321 HydrophobicContact CZ3-CG 3.97Å; W297-F321 AromaticContact CZ3-CZ 3.53Å; W297-F321 HydrophobicContact CZ3-CZ 3.53Å |
| 298 | I | 93.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.5 | -39.6 | -173.3 | -60.4 | 176.6 | 0 | 0 | 0 | 111.8 | I157 E295 R296 K302 M318 F321 V322 Y325 Q326 | I157-I298 HydrophobicContact CD1-CD1 3.9Å; I157-I298 HydrophobicContact CD1-CG1 3.97Å; E295-I298 WeakPolarHBondContact O-CB 3.18Å; E295-I298 WeakPolarHBondContact O-CG1 3.43Å; E295-I298 PolarHBondContact O-N 2.83Å; R296-I298 PolarHBondContact O-N 3.01Å; I298-K302 HydrophobicContact CG2-CD 3.92Å; I298-K302 WeakPolarHBondContact O-CB 3.48Å; I298-K302 WeakPolarHBondContact O-CD 3.29Å; I298-K302 WeakPolarHBondContact O-CG 3.15Å; I298-K302 PolarHBondContact O-N 3.43Å; I298-K302 VanDerWaalsContact O-N 3.07Å; I298-M318 HydrophobicContact CG2-CE 4.23Å; I298-M318 WeakPolarHBondContact O-CE 3.14Å; I298-F321 HydrophobicContact CD1-CB 4.15Å; I298-F321 HydrophobicContact CG1-CB 4.17Å; I298-F321 HydrophobicContact CG1-CD1 4.49Å; I298-F321 HydrophobicContact CG2-CB 4.24Å; I298-V322 HydrophobicContact CG2-CG2 4.16Å; I298-Y325 HydrophobicContact CD1-CD2 3.84Å; I298-Y325 HydrophobicContact CD1-CG 3.82Å; I298-Q326 HydrophobicContact CG2-CG 4.4Å |
| 299 | E | 94.8 | Very high | 93.5 | Very high | 27 Ų | 27 | 28.4 Ų | 28.4 | 13% | 0.126 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.3 | -33.3 | 174.4 | -62.7 | -57.8 | 161.1 | 0 | 0 | 113.8 | W297 K302 Q303 Q326 R329 I342 | W297-E299 VanDerWaalsContact C-N 3.26Å; W297-E299 PolarHBondContact O-N 3.04Å; W297-E299 VanDerWaalsContact O-N 3.15Å; E299-K302 VanDerWaalsContact CD-NZ 3.3Å; E299-K302 IonicContact OE1-NZ 2.92Å; E299-K302 PolarHBondContact OE1-NZ 2.94Å; E299-K302 VanDerWaalsContact OE1-NZ 3.1Å; E299-K302 WeakPolarHBondContact OE2-CE 3.49Å; E299-K302 IonicContact OE2-NZ 3.19Å; E299-K302 PolarHBondContact OE2-NZ 3.18Å; E299-Q303 WeakPolarHBondContact O-CG 3.42Å; E299-Q303 PolarHBondContact O-N 3.28Å; E299-Q326 PolarHBondContact OE1-NE2 2.71Å; E299-Q326 PolarHBondContact OE1-OE1 2.87Å; E299-R329 IonicContact OE1-CZ 3.23Å; E299-R329 IonicContact OE1-NH1 2.68Å; E299-R329 PolarHBondContact OE1-NH1 3.2Å; E299-R329 IonicContact OE1-NH2 3.02Å; E299-R329 PolarHBondContact OE1-NH2 3.11Å; E299-R329 IonicContact OE2-NH2 2.68Å; E299-R329 PolarHBondContact OE2-NH2 3.44Å; E299-I342 HydrophobicContact CB-CD1 4.39Å; E299-I342 HydrophobicContact CB-CG1 4.18Å |
| 300 | Y | 95.6 | Very high | 93 | Very high | 8 Ų | 8 | 31.8 Ų | 31.8 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.2 | -48.9 | 175.3 | -69.9 | -101.5 | 0 | 0 | 0 | 110.5 | P273 R296 W297 K302 Q303 A304 I342 H344 | P273-Y300 HydrophobicContact CB-CD1 3.64Å; P273-Y300 HydrophobicContact CB-CD2 3.78Å; P273-Y300 HydrophobicContact CB-CE1 3.84Å; P273-Y300 HydrophobicContact CB-CE2 4.01Å; P273-Y300 HydrophobicContact CB-CG 3.57Å; P273-Y300 VanDerWaalsContact O-CE1 3.24Å; P273-Y300 WeakPolarHBondContact O-CE1 3.47Å; R296-Y300 HydrophobicContact CG-CE2 4.22Å; R296-Y300 VanDerWaalsContact NH1-CE2 3.28Å; R296-Y300 PolarHBondContact NH1-OH 3.37Å; R296-Y300 WeakPolarHBondContact O-CD2 3.38Å; W297-Y300 CarbonylContact O-C 3.57Å; W297-Y300 WeakPolarHBondContact O-CA 3.44Å; W297-Y300 WeakPolarHBondContact O-CB 3.25Å; W297-Y300 PolarHBondContact O-N 3.25Å; Y300-K302 VanDerWaalsContact C-N 3.27Å; Y300-K302 PolarHBondContact O-N 2.71Å; Y300-Q303 CarbonylContact O-C 3.57Å; Y300-Q303 PolarHBondContact O-N 2.82Å; Y300-A304 WeakPolarHBondContact O-CB 3.45Å; Y300-A304 PolarHBondContact O-N 3.26Å; Y300-I342 HydrophobicContact CD1-CD1 4.02Å; Y300-I342 HydrophobicContact CD2-CD1 4.26Å; Y300-I342 HydrophobicContact CD2-CG2 4.18Å; Y300-I342 HydrophobicContact CE1-CD1 4.42Å; Y300-I342 HydrophobicContact CE1-CG2 4.04Å; Y300-I342 HydrophobicContact CE2-CG2 3.57Å; Y300-I342 HydrophobicContact CG-CD1 3.98Å; Y300-H344 AromaticContact CE1-CE1 3.87Å; Y300-H344 AromaticContact CE1-ND1 3.6Å; Y300-H344 AromaticContact CZ-ND1 3.55Å; Y300-H344 PolarHBondContact OH-ND1 3.19Å |
| 301 | G | 93.6 | Very high | 92.1 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.2 | -34.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | M193 W297 Q303 | M193-G301 WeakPolarHBondContact CE-O 3.25Å; W297-G301 PolarHBondContact O-N 3.29Å; G301-Q303 VanDerWaalsContact C-N 3.29Å; G301-Q303 PolarHBondContact O-N 3.46Å |
| 302 | K | 92.8 | Very high | 91.2 | Very high | 35 Ų | 35 | 44.3 Ų | 44.3 | 15% | 0.152 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.3 | -23.9 | 172.8 | -71.7 | 158.6 | 71.7 | -169.3 | 0 | 113.9 | I298 E299 Y300 M318 V322 R329 W333 D338 | I298-K302 HydrophobicContact CG2-CD 3.92Å; I298-K302 WeakPolarHBondContact O-CB 3.48Å; I298-K302 WeakPolarHBondContact O-CD 3.29Å; I298-K302 WeakPolarHBondContact O-CG 3.15Å; I298-K302 PolarHBondContact O-N 3.43Å; I298-K302 VanDerWaalsContact O-N 3.07Å; E299-K302 VanDerWaalsContact CD-NZ 3.3Å; E299-K302 IonicContact OE1-NZ 2.92Å; E299-K302 PolarHBondContact OE1-NZ 2.94Å; E299-K302 VanDerWaalsContact OE1-NZ 3.1Å; E299-K302 WeakPolarHBondContact OE2-CE 3.49Å; E299-K302 IonicContact OE2-NZ 3.19Å; E299-K302 PolarHBondContact OE2-NZ 3.18Å; Y300-K302 VanDerWaalsContact C-N 3.27Å; Y300-K302 PolarHBondContact O-N 2.71Å; K302-M318 HydrophobicContact CG-CB 4.33Å; K302-M318 HydrophobicContact CG-CE 4.31Å; K302-M318 HydrophobicContact CG-CG 4.42Å; K302-V322 HydrophobicContact CD-CG2 3.69Å; K302-V322 HydrophobicContact CG-CG2 4.01Å; K302-R329 VanDerWaalsContact NZ-NH2 3.18Å; K302-W333 VanDerWaalsContact CE-CD1 3.42Å; K302-D338 WeakPolarHBondContact CE-OD2 3.36Å; K302-D338 IonicContact NZ-OD2 2.63Å; K302-D338 PolarHBondContact NZ-OD2 2.92Å |
| 303 | Q | 92.4 | Very high | 90.5 | Very high | 91 Ų | 91 | 46 Ų | 46 | 43% | 0.425 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -116.4 | 2.2 | -173.8 | -60 | -176.9 | 41.3 | 0 | 0 | 113.3 | E299 Y300 G301 V305 V340 I342 | E299-Q303 WeakPolarHBondContact O-CG 3.42Å; E299-Q303 PolarHBondContact O-N 3.28Å; Y300-Q303 CarbonylContact O-C 3.57Å; Y300-Q303 PolarHBondContact O-N 2.82Å; G301-Q303 VanDerWaalsContact C-N 3.29Å; G301-Q303 PolarHBondContact O-N 3.46Å; Q303-V305 PolarHBondContact O-N 3.2Å; Q303-V340 PolarHBondContact NE2-O 3.17Å; Q303-I342 HydrophobicContact CB-CD1 4.22Å; Q303-I342 HydrophobicContact CG-CD1 4.43Å |
| 304 | A | 93.4 | Very high | 89.9 | Confident | 15 Ų | 15 | 47.5 Ų | 47.5 | 12% | 0.124 | 25% | 0.245 | C | C | . | . | trans | -63.8 | 118.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D194 Y300 L306 | D194-A304 HydrophobicContact CB-CB 4.36Å; D194-A304 WeakPolarHBondContact OD2-CA 3.39Å; D194-A304 WeakPolarHBondContact OD2-CB 3.21Å; Y300-A304 WeakPolarHBondContact O-CB 3.45Å; Y300-A304 PolarHBondContact O-N 3.26Å; A304-L306 HydrophobicContact CB-CD2 4.06Å; A304-L306 PolarHBondContact O-N 3.42Å | ||
| 305 | V | 92.3 | Very high | 89.3 | Confident | 59 Ų | 59 | 53.8 Ų | 53.8 | 36% | 0.358 | 27% | 0.272 | S | S | . | . | trans | -80.8 | 108 | 178.2 | -172.3 | 0 | 0 | 0 | 0 | 108.8 | E236 A237 R240 Q303 | E236-V305 HydrophobicContact CG-CG1 4.14Å; A237-V305 HydrophobicContact CB-CG1 4.33Å; A237-V305 WeakPolarHBondContact CB-O 3.26Å; R240-V305 PolarHBondContact NE-O 3.32Å; R240-V305 PolarHBondContact NH2-O 2.91Å; Q303-V305 PolarHBondContact O-N 3.2Å | ||
| 306 | L | 91.8 | Very high | 88.9 | Confident | 50 Ų | 50 | 51 Ų | 51 | 26% | 0.262 | 26% | 0.259 | S | S | . | . | trans | -88.9 | 162.6 | -174.2 | -53 | -174.2 | 0 | 0 | 0 | 113 | M193 A237 A304 K315 | M193-L306 HydrophobicContact SD-CD1 3.74Å; M193-L306 HydrophobicContact SD-CD2 3.73Å; M193-L306 HydrophobicContact SD-CG 4.35Å; A237-L306 WeakPolarHBondContact CB-O 3.49Å; A304-L306 HydrophobicContact CB-CD2 4.06Å; A304-L306 PolarHBondContact O-N 3.42Å; L306-K315 HydrophobicContact CD1-CG 3.99Å | ||
| 307 | C | 92.1 | Very high | 88.5 | Confident | 6 Ų | 6 | 53.6 Ų | 53.6 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | trans | -68.4 | 133.9 | 172.2 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | H241 M313 | H241-C307 PolarHBondContact NE2-SG 2.8Å; H241-C307 VanDerWaalsContact NE2-SG 3.36Å; C307-M313 HydrophobicContact CB-CG 3.82Å; C307-M313 HydrophobicContact CB-SD 3.57Å; C307-M313 VanDerWaalsContact CB-SD 3.57Å | ||
| 308 | S | 88.3 | Confident | 88.2 | Confident | 97 Ų | 97 | 54.2 Ų | 54.2 | 68% | 0.678 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -107.5 | -13.8 | -179.4 | 57.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 309 | C | 89.8 | Confident | 87.9 | Confident | 54 Ų | 54 | 56 Ų | 56 | 37% | 0.365 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -97.7 | 5.2 | -176.6 | 79.4 | 0 | 0 | 0 | 0 | 114.4 | C235 H241 | C235-C309 HydrophobicContact CB-CB 4.23Å; H241-C309 PolarHBondContact NE2-SG 2.56Å |
| 310 | R | 84 | Confident | 87.5 | Confident | 90 Ų | 90 | 56.2 Ų | 56.2 | 34% | 0.34 | 30% | 0.296 | S | S | . | . | trans | -131.6 | 146.8 | 177.6 | -75.9 | -168.6 | -167.6 | 176 | 5.3 | 109.8 | D312 M313 | R310-D312 WeakPolarHBondContact CB-OD1 3.39Å; R310-M313 HydrophobicContact CB-CG 3.47Å; R310-M313 VanDerWaalsContact CB-CG 3.47Å; R310-M313 HydrophobicContact CB-SD 3.86Å | ||
| 311 | K | 77.4 | Confident | 87.2 | Confident | 208 Ų | 208 | 56 Ų | 56 | 90% | 0.904 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -98.3 | -31.1 | -178.9 | -69 | -174.2 | 178 | -177.9 | 0 | 111.9 | M313 | K311-M313 PolarHBondContact O-N 3.01Å; K311-M313 VanDerWaalsContact O-N 3.08Å |
| 312 | D | 74.9 | Confident | 87.1 | Confident | 77 Ų | 77 | 55.8 Ų | 55.8 | 41% | 0.412 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -68.9 | 24.9 | 173.2 | 52.3 | -60.3 | 0 | 0 | 0 | 114.4 | R310 | R310-D312 WeakPolarHBondContact CB-OD1 3.39Š|
| 313 | M | 79.6 | Confident | 86.9 | Confident | 36 Ų | 36 | 59.6 Ų | 59.6 | 18% | 0.177 | 31% | 0.306 | C | S | . | . | trans | -103.3 | 133.7 | -177.2 | -57.7 | -83.3 | 72.3 | 0 | 0 | 110.9 | C307 R310 K311 K315 | C307-M313 HydrophobicContact CB-CG 3.82Å; C307-M313 HydrophobicContact CB-SD 3.57Å; C307-M313 VanDerWaalsContact CB-SD 3.57Å; R310-M313 HydrophobicContact CB-CG 3.47Å; R310-M313 VanDerWaalsContact CB-CG 3.47Å; R310-M313 HydrophobicContact CB-SD 3.86Å; K311-M313 PolarHBondContact O-N 3.01Å; K311-M313 VanDerWaalsContact O-N 3.08Å; M313-K315 PolarHBondContact O-N 3Å | ||
| 314 | V | 81.1 | Confident | 86.7 | Confident | 36 Ų | 36 | 60.1 Ų | 60.1 | 22% | 0.218 | 31% | 0.307 | C | S | . | . | trans | -52.2 | 132.1 | 175.6 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | I169 V172 D192 I316 | I169-V314 HydrophobicContact CG2-CG1 4.31Å; I169-V314 HydrophobicContact CG2-CG2 4.42Å; V172-V314 HydrophobicContact CG2-CG1 3.99Å; V172-V314 HydrophobicContact CG2-CG2 3.9Å; D192-V314 HydrophobicContact CB-CB 4Å; D192-V314 HydrophobicContact CB-CG1 4.14Å; D192-V314 HydrophobicContact CB-CG2 4.43Å; V314-I316 HydrophobicContact CG1-CG1 4.23Å | ||
| 315 | K | 83 | Confident | 86.4 | Confident | 141 Ų | 141 | 62.4 Ų | 62.4 | 61% | 0.613 | 31% | 0.313 | S | S | * | . | trans | -139.5 | 118.4 | 172.9 | -68 | -179 | -176.7 | 176.4 | 0 | 108.7 | L306 M313 | L306-K315 HydrophobicContact CD1-CG 3.99Å; M313-K315 PolarHBondContact O-N 3Å | ||
| 316 | I | 85.1 | Confident | 86.4 | Confident | 13 Ų | 13 | 61 Ų | 61 | 7% | 0.067 | 30% | 0.303 | C | S | . | . | trans | -101.6 | 136.3 | 176.2 | -55.3 | 174.4 | 0 | 0 | 0 | 108.2 | L158 I169 V172 M193 L195 W297 V314 M318 F321 | L158-I316 HydrophobicContact CD1-CD1 4.25Å; I169-I316 HydrophobicContact CD1-CG1 3.97Å; V172-I316 HydrophobicContact CG1-CD1 4Å; M193-I316 HydrophobicContact CB-CD1 4.23Å; M193-I316 HydrophobicContact CE-CB 4.42Å; M193-I316 HydrophobicContact CG-CB 3.91Å; M193-I316 HydrophobicContact CG-CD1 3.8Å; M193-I316 HydrophobicContact CG-CG1 3.71Å; M193-I316 HydrophobicContact SD-CB 4.47Å; L195-I316 HydrophobicContact CD1-CD1 3.77Å; W297-I316 HydrophobicContact CH2-CG2 4.49Å; V314-I316 HydrophobicContact CG1-CG1 4.23Å; I316-M318 PolarHBondContact O-N 3.12Å; I316-F321 HydrophobicContact CG2-CE2 3.75Å | ||
| 317 | S | 86.4 | Confident | 86.4 | Confident | 77 Ų | 77 | 62.2 Ų | 62.2 | 54% | 0.538 | 31% | 0.313 | S | S | . | . | trans | -76.6 | 107.6 | 175.5 | -170 | 0 | 0 | 0 | 0 | 110.3 | D319 | S317-D319 PolarHBondContact O-N 3.06Å; S317-D319 VanDerWaalsContact O-N 3.16Å; S317-D319 WeakPolarHBondContact OG-CB 3.48Å | ||
| 318 | M | 90.2 | Very high | 86.4 | Confident | 13 Ų | 13 | 68.7 Ų | 68.7 | 6% | 0.064 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.3 | -14.7 | 176.8 | -61.2 | -50.7 | -58.4 | 0 | 0 | 113.3 | M193 W297 I298 K302 I316 V320 F321 V322 W333 | M193-M318 HydrophobicContact CE-CG 4.2Å; M193-M318 HydrophobicContact CE-SD 3.92Å; W297-M318 HydrophobicContact CE3-CE 4.37Å; W297-M318 HydrophobicContact CH2-CE 3.6Å; W297-M318 HydrophobicContact CH2-SD 3.51Å; W297-M318 VanDerWaalsContact CH2-SD 3.51Å; W297-M318 HydrophobicContact CZ2-CE 4.08Å; W297-M318 HydrophobicContact CZ2-SD 3.83Å; W297-M318 HydrophobicContact CZ3-CE 3.75Å; W297-M318 HydrophobicContact CZ3-SD 4.26Å; I298-M318 HydrophobicContact CG2-CE 4.23Å; I298-M318 WeakPolarHBondContact O-CE 3.14Å; K302-M318 HydrophobicContact CG-CB 4.33Å; K302-M318 HydrophobicContact CG-CE 4.31Å; K302-M318 HydrophobicContact CG-CG 4.42Å; I316-M318 PolarHBondContact O-N 3.12Å; M318-V320 VanDerWaalsContact C-N 3.35Å; M318-V320 PolarHBondContact O-N 2.82Å; M318-F321 HydrophobicContact CE-CB 4.31Å; M318-F321 HydrophobicContact CE-CD2 4.23Å; M318-F321 HydrophobicContact CE-CG 4.44Å; M318-F321 PolarHBondContact O-N 2.81Å; M318-F321 VanDerWaalsContact O-N 3.14Å; M318-F321 HydrophobicContact SD-CD2 4.45Å; M318-V322 WeakPolarHBondContact O-CG2 3.32Å; M318-V322 PolarHBondContact O-N 3.04Å; M318-W333 HydrophobicContact CB-CH2 4.07Å; M318-W333 HydrophobicContact CB-CZ2 3.79Å |
| 319 | D | 88.4 | Confident | 86.5 | Confident | 37 Ų | 37 | 67 Ų | 67 | 20% | 0.198 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -51.8 | -46.4 | -179.4 | 174 | -99 | 0 | 0 | 0 | 113.7 | S317 F321 R323 Y330 W333 | S317-D319 PolarHBondContact O-N 3.06Å; S317-D319 VanDerWaalsContact O-N 3.16Å; S317-D319 WeakPolarHBondContact OG-CB 3.48Å; D319-F321 PolarHBondContact O-N 2.95Å; D319-R323 VanDerWaalsContact O-CB 3.25Å; D319-R323 WeakPolarHBondContact O-CB 3.26Å; D319-R323 PolarHBondContact O-N 2.87Å; D319-R323 IonicContact OD1-CZ 3.34Å; D319-R323 IonicContact OD1-NH1 3.76Å; D319-R323 PolarHBondContact OD1-NH1 3.04Å; D319-R323 IonicContact OD1-NH2 3.28Å; D319-R323 PolarHBondContact OD1-NH2 2.84Å; D319-R323 IonicContact OD2-CZ 3.69Å; D319-R323 IonicContact OD2-NH2 3.52Å; D319-R323 PolarHBondContact OD2-NH2 3.31Å; D319-Y330 WeakPolarHBondContact OD2-CE2 3.32Å; D319-Y330 PolarHBondContact OD2-OH 3.08Å; D319-W333 HydrophobicContact CB-CH2 4.33Å; D319-W333 HydrophobicContact CB-CZ3 4.39Å |
| 320 | V | 86.5 | Confident | 86.6 | Confident | 33 Ų | 33 | 66.6 Ų | 66.6 | 20% | 0.2 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 179.9 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | M318 K324 | M318-V320 VanDerWaalsContact C-N 3.35Å; M318-V320 PolarHBondContact O-N 2.82Å; V320-K324 VanDerWaalsContact O-CB 3.22Å; V320-K324 WeakPolarHBondContact O-CB 3.24Å; V320-K324 PolarHBondContact O-N 2.89Å; V320-K324 VanDerWaalsContact O-N 3.07Å |
| 321 | F | 89 | Confident | 87 | Confident | 3 Ų | 3 | 69.5 Ų | 69.5 | 1% | 0.013 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.2 | -47.6 | -179.8 | -63.5 | -82.7 | 0 | 0 | 0 | 112.4 | I157 L158 V161 W297 I298 I316 M318 D319 R323 K324 Y325 | I157-F321 HydrophobicContact CD1-CD1 4.01Å; I157-F321 HydrophobicContact CD1-CE1 4.15Å; I157-F321 HydrophobicContact CG1-CD1 4.42Å; I157-F321 HydrophobicContact CG1-CE1 4.09Å; I157-F321 WeakPolarHBondContact O-CE1 3.41Å; L158-F321 HydrophobicContact CD1-CZ 4.16Å; V161-F321 HydrophobicContact CG2-CD2 4.45Å; V161-F321 HydrophobicContact CG2-CE1 4.03Å; V161-F321 HydrophobicContact CG2-CE2 3.41Å; V161-F321 VanDerWaalsContact CG2-CE2 3.41Å; V161-F321 HydrophobicContact CG2-CZ 3.16Å; W297-F321 HydrophobicContact CE3-CE1 4.48Å; W297-F321 HydrophobicContact CH2-CD2 4.16Å; W297-F321 HydrophobicContact CH2-CE1 4.49Å; W297-F321 AromaticContact CH2-CE2 3.78Å; W297-F321 HydrophobicContact CH2-CE2 3.78Å; W297-F321 AromaticContact CH2-CZ 3.93Å; W297-F321 HydrophobicContact CH2-CZ 3.93Å; W297-F321 AromaticContact CZ3-CD1 3.87Å; W297-F321 HydrophobicContact CZ3-CD1 3.87Å; W297-F321 AromaticContact CZ3-CD2 3.91Å; W297-F321 HydrophobicContact CZ3-CD2 3.91Å; W297-F321 AromaticContact CZ3-CE1 3.65Å; W297-F321 HydrophobicContact CZ3-CE1 3.65Å; W297-F321 AromaticContact CZ3-CE2 3.7Å; W297-F321 HydrophobicContact CZ3-CE2 3.7Å; W297-F321 AromaticContact CZ3-CG 3.97Å; W297-F321 HydrophobicContact CZ3-CG 3.97Å; W297-F321 AromaticContact CZ3-CZ 3.53Å; W297-F321 HydrophobicContact CZ3-CZ 3.53Å; I298-F321 HydrophobicContact CD1-CB 4.15Å; I298-F321 HydrophobicContact CG1-CB 4.17Å; I298-F321 HydrophobicContact CG1-CD1 4.49Å; I298-F321 HydrophobicContact CG2-CB 4.24Å; I316-F321 HydrophobicContact CG2-CE2 3.75Å; M318-F321 HydrophobicContact CE-CB 4.31Å; M318-F321 HydrophobicContact CE-CD2 4.23Å; M318-F321 HydrophobicContact CE-CG 4.44Å; M318-F321 PolarHBondContact O-N 2.81Å; M318-F321 VanDerWaalsContact O-N 3.14Å; M318-F321 HydrophobicContact SD-CD2 4.45Å; D319-F321 PolarHBondContact O-N 2.95Å; F321-R323 PolarHBondContact O-N 3.2Å; F321-K324 PolarHBondContact O-N 3.05Å; F321-Y325 HydrophobicContact CD1-CE2 4.39Å; F321-Y325 WeakPolarHBondContact O-CD2 3.47Å; F321-Y325 PolarHBondContact O-N 2.92Å |
| 322 | V | 90.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.9 | -39.3 | -179.3 | -176.3 | 0 | 0 | 0 | 0 | 110.5 | I298 K302 M318 K324 Q326 Y330 W333 | I298-V322 HydrophobicContact CG2-CG2 4.16Å; K302-V322 HydrophobicContact CD-CG2 3.69Å; K302-V322 HydrophobicContact CG-CG2 4.01Å; M318-V322 WeakPolarHBondContact O-CG2 3.32Å; M318-V322 PolarHBondContact O-N 3.04Å; V322-K324 PolarHBondContact O-N 3.09Å; V322-Q326 HydrophobicContact CG1-CB 4.05Å; V322-Q326 CarbonylContact O-C 3.6Å; V322-Q326 VanDerWaalsContact O-CA 3.25Å; V322-Q326 WeakPolarHBondContact O-CA 3.41Å; V322-Q326 PolarHBondContact O-N 2.95Å; V322-Y330 HydrophobicContact CB-CD2 4.15Å; V322-Y330 HydrophobicContact CG1-CD2 3.95Å; V322-W333 HydrophobicContact CB-CD2 4.27Å; V322-W333 HydrophobicContact CB-CE3 3.93Å; V322-W333 HydrophobicContact CB-CZ3 4.22Å; V322-W333 HydrophobicContact CG1-CB 4.22Å; V322-W333 HydrophobicContact CG1-CD2 4.04Å; V322-W333 HydrophobicContact CG1-CE3 3.84Å; V322-W333 HydrophobicContact CG1-CG 4.21Å; V322-W333 HydrophobicContact CG2-CD2 4Å; V322-W333 HydrophobicContact CG2-CE3 4.1Å; V322-W333 HydrophobicContact CG2-CZ2 4.42Å; V322-W333 HydrophobicContact CG2-CZ3 4.35Å |
| 323 | R | 88.4 | Confident | 88.4 | Confident | 116 Ų | 116 | 63.3 Ų | 63.3 | 44% | 0.438 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63 | -39.2 | 174.8 | -169.7 | -173.5 | -64.1 | 107.1 | 1.3 | 112.6 | D319 F321 Y330 | D319-R323 VanDerWaalsContact O-CB 3.25Å; D319-R323 WeakPolarHBondContact O-CB 3.26Å; D319-R323 PolarHBondContact O-N 2.87Å; D319-R323 IonicContact OD1-CZ 3.34Å; D319-R323 IonicContact OD1-NH1 3.76Å; D319-R323 PolarHBondContact OD1-NH1 3.04Å; D319-R323 IonicContact OD1-NH2 3.28Å; D319-R323 PolarHBondContact OD1-NH2 2.84Å; D319-R323 IonicContact OD2-CZ 3.69Å; D319-R323 IonicContact OD2-NH2 3.52Å; D319-R323 PolarHBondContact OD2-NH2 3.31Å; F321-R323 PolarHBondContact O-N 3.2Å; R323-Y330 HydrophobicContact CB-CD2 3.91Å; R323-Y330 HydrophobicContact CB-CE2 3.85Å; R323-Y330 HydrophobicContact CB-CG 4.47Å; R323-Y330 HydrophobicContact CG-CE2 4.46Å; R323-Y330 PolarHBondContact NH2-OH 3.05Å |
| 324 | K | 88.2 | Confident | 88.9 | Confident | 101 Ų | 101 | 66.4 Ų | 66.4 | 44% | 0.439 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -85.4 | -38.1 | -172.7 | -166.3 | 170.8 | -168.8 | 171.8 | 0 | 114 | T160 D164 V320 F321 V322 | T160-K324 HydrophobicContact CG2-CD 3.93Å; D164-K324 IonicContact OD2-NZ 2.85Å; D164-K324 PolarHBondContact OD2-NZ 2.76Å; V320-K324 VanDerWaalsContact O-CB 3.22Å; V320-K324 WeakPolarHBondContact O-CB 3.24Å; V320-K324 PolarHBondContact O-N 2.89Å; V320-K324 VanDerWaalsContact O-N 3.07Å; F321-K324 PolarHBondContact O-N 3.05Å; V322-K324 PolarHBondContact O-N 3.09Å |
| 325 | Y | 88.5 | Confident | 89.4 | Confident | 64 Ų | 64 | 67 Ų | 67 | 25% | 0.251 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -114.4 | -9.4 | -173.4 | -59 | -86.5 | 0 | 0 | 0 | 113.9 | I157 E295 I298 F321 | I157-Y325 HydrophobicContact CB-CE2 4.21Å; I157-Y325 HydrophobicContact CD1-CE2 4.4Å; I157-Y325 HydrophobicContact CG2-CE1 3.98Å; I157-Y325 HydrophobicContact CG2-CE2 4.46Å; I157-Y325 WeakPolarHBondContact CG2-OH 3.07Å; E295-Y325 HydrophobicContact CG-CD1 3.9Å; E295-Y325 HydrophobicContact CG-CE1 4.35Å; I298-Y325 HydrophobicContact CD1-CD2 3.84Å; I298-Y325 HydrophobicContact CD1-CG 3.82Å; F321-Y325 HydrophobicContact CD1-CE2 4.39Å; F321-Y325 WeakPolarHBondContact O-CD2 3.47Å; F321-Y325 PolarHBondContact O-N 2.92Å |
| 326 | Q | 90.8 | Very high | 89.7 | Confident | 29 Ų | 29 | 63.2 Ų | 63.2 | 14% | 0.136 | 33% | 0.33 | C | S | . | . | trans | -137.6 | 45.7 | 179 | -56.7 | -168.7 | -21.1 | 0 | 0 | 113.1 | I298 E299 V322 D328 R329 Y330 | I298-Q326 HydrophobicContact CG2-CG 4.4Å; E299-Q326 PolarHBondContact OE1-NE2 2.71Å; E299-Q326 PolarHBondContact OE1-OE1 2.87Å; V322-Q326 HydrophobicContact CG1-CB 4.05Å; V322-Q326 CarbonylContact O-C 3.6Å; V322-Q326 VanDerWaalsContact O-CA 3.25Å; V322-Q326 WeakPolarHBondContact O-CA 3.41Å; V322-Q326 PolarHBondContact O-N 2.95Å; Q326-D328 VanDerWaalsContact C-N 3.31Å; Q326-D328 PolarHBondContact O-N 3.01Å; Q326-R329 PolarHBondContact O-N 3.1Å; Q326-Y330 PolarHBondContact O-N 3.43Å; Q326-Y330 VanDerWaalsContact O-N 3.12Å | ||
| 327 | P | 91.9 | Very high | 89.8 | Confident | 75 Ų | 75 | 70.5 Ų | 70.5 | 49% | 0.487 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -55.2 | -41.7 | -170.6 | 23.4 | -34.6 | 0 | 0 | 0 | 113.3 | R329 Y330 | P327-R329 PolarHBondContact O-N 2.84Å; P327-R329 VanDerWaalsContact O-N 3.11Å; P327-Y330 VanDerWaalsContact O-CB 3.29Å; P327-Y330 WeakPolarHBondContact O-CB 3.31Å; P327-Y330 PolarHBondContact O-N 2.68Å |
| 328 | D | 93 | Very high | 89.9 | Confident | 143 Ų | 143 | 68 Ų | 68 | 77% | 0.765 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64.6 | -19.5 | -177.6 | -42.7 | -53.1 | 0 | 0 | 0 | 113.8 | Q326 Q332 | Q326-D328 VanDerWaalsContact C-N 3.31Å; Q326-D328 PolarHBondContact O-N 3.01Å; D328-Q332 PolarHBondContact O-NE2 2.8Å |
| 329 | R | 90.9 | Very high | 89.4 | Confident | 61 Ų | 61 | 73 Ų | 73 | 23% | 0.23 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -106.4 | -8.1 | 177.4 | -75.9 | 168.6 | 61.2 | -143.9 | -0.8 | 113 | E299 K302 Q326 P327 E331 Q332 W333 D338 | E299-R329 IonicContact OE1-CZ 3.23Å; E299-R329 IonicContact OE1-NH1 2.68Å; E299-R329 PolarHBondContact OE1-NH1 3.2Å; E299-R329 IonicContact OE1-NH2 3.02Å; E299-R329 PolarHBondContact OE1-NH2 3.11Å; E299-R329 IonicContact OE2-NH2 2.68Å; E299-R329 PolarHBondContact OE2-NH2 3.44Å; K302-R329 VanDerWaalsContact NZ-NH2 3.18Å; Q326-R329 PolarHBondContact O-N 3.1Å; P327-R329 PolarHBondContact O-N 2.84Å; P327-R329 VanDerWaalsContact O-N 3.11Å; R329-E331 PolarHBondContact O-N 3.18Å; R329-Q332 WeakPolarHBondContact O-CB 3.23Å; R329-Q332 PolarHBondContact O-N 2.9Å; R329-W333 WeakPolarHBondContact O-CB 3.14Å; R329-W333 PolarHBondContact O-N 2.96Å; R329-D338 IonicContact CZ-OD1 2.83Å; R329-D338 VanDerWaalsContact CZ-OD1 3.28Å; R329-D338 IonicContact CZ-OD2 2.65Å; R329-D338 IonicContact NE-OD1 3.72Å; R329-D338 PolarHBondContact NE-OD1 2.94Å; R329-D338 IonicContact NE-OD2 3.06Å; R329-D338 IonicContact NH2-OD1 2.79Å; R329-D338 PolarHBondContact NH2-OD1 2.9Å; R329-D338 IonicContact NH2-OD2 3.07Å; R329-D338 PolarHBondContact NH2-OD2 3.25Å |
| 330 | Y | 91.4 | Very high | 89.3 | Confident | 45 Ų | 45 | 74.3 Ų | 74.3 | 18% | 0.176 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.9 | -46.8 | -175.1 | 175.6 | -104.7 | 0 | 0 | 0 | 113 | D319 V322 R323 Q326 P327 Q332 W333 L334 | D319-Y330 WeakPolarHBondContact OD2-CE2 3.32Å; D319-Y330 PolarHBondContact OD2-OH 3.08Å; V322-Y330 HydrophobicContact CB-CD2 4.15Å; V322-Y330 HydrophobicContact CG1-CD2 3.95Å; R323-Y330 HydrophobicContact CB-CD2 3.91Å; R323-Y330 HydrophobicContact CB-CE2 3.85Å; R323-Y330 HydrophobicContact CB-CG 4.47Å; R323-Y330 HydrophobicContact CG-CE2 4.46Å; R323-Y330 PolarHBondContact NH2-OH 3.05Å; Q326-Y330 PolarHBondContact O-N 3.43Å; Q326-Y330 VanDerWaalsContact O-N 3.12Å; P327-Y330 VanDerWaalsContact O-CB 3.29Å; P327-Y330 WeakPolarHBondContact O-CB 3.31Å; P327-Y330 PolarHBondContact O-N 2.68Å; Y330-Q332 VanDerWaalsContact C-N 3.32Å; Y330-Q332 PolarHBondContact O-N 3.09Å; Y330-W333 HydrophobicContact CD2-CE3 4.2Å; Y330-W333 HydrophobicContact CD2-CZ3 4.42Å; Y330-W333 HydrophobicContact CE2-CE3 4.42Å; Y330-W333 HydrophobicContact CE2-CZ3 4.24Å; Y330-W333 PolarHBondContact O-N 3.15Å; Y330-L334 HydrophobicContact CD1-CD1 4.17Å; Y330-L334 HydrophobicContact CE1-CD1 3.54Å; Y330-L334 HydrophobicContact CE1-CG 4.32Å; Y330-L334 HydrophobicContact CE2-CD1 4.18Å; Y330-L334 HydrophobicContact CE2-CD2 4.4Å; Y330-L334 HydrophobicContact CE2-CG 4.19Å; Y330-L334 WeakPolarHBondContact O-CG 3.25Å; Y330-L334 PolarHBondContact O-N 3.37Å |
| 331 | E | 91.1 | Very high | 89.4 | Confident | 152 Ų | 152 | 78 Ų | 78 | 71% | 0.71 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -64.7 | -35.5 | 175.3 | -63.3 | -165.2 | 161.1 | 0 | 0 | 113.2 | R329 A335 | R329-E331 PolarHBondContact O-N 3.18Å; E331-A335 VanDerWaalsContact O-CB 3.28Å; E331-A335 WeakPolarHBondContact O-CB 3.24Å; E331-A335 PolarHBondContact O-N 3.42Å |
| 332 | Q | 91.1 | Very high | 89.6 | Confident | 93 Ų | 93 | 80 Ų | 80 | 44% | 0.435 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -71.8 | -36 | -179.7 | -51.9 | -171.4 | 45.3 | 0 | 0 | 111 | D328 R329 Y330 G336 R337 D338 | D328-Q332 PolarHBondContact O-NE2 2.8Å; R329-Q332 WeakPolarHBondContact O-CB 3.23Å; R329-Q332 PolarHBondContact O-N 2.9Å; Y330-Q332 VanDerWaalsContact C-N 3.32Å; Y330-Q332 PolarHBondContact O-N 3.09Å; Q332-G336 PolarHBondContact O-N 3.21Å; Q332-R337 PolarHBondContact O-N 3.22Å; Q332-D338 HydrophobicContact CB-CB 4.48Å; Q332-D338 PolarHBondContact O-N 3.17Å |
| 333 | W | 91.9 | Very high | 89.7 | Confident | 61 Ų | 61 | 83.5 Ų | 83.5 | 23% | 0.231 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -70 | -48.1 | 174.6 | 174.1 | 71.4 | 0 | 0 | 0 | 112.1 | K302 M318 D319 V322 R329 Y330 A335 G336 D338 | K302-W333 VanDerWaalsContact CE-CD1 3.42Å; M318-W333 HydrophobicContact CB-CH2 4.07Å; M318-W333 HydrophobicContact CB-CZ2 3.79Å; D319-W333 HydrophobicContact CB-CH2 4.33Å; D319-W333 HydrophobicContact CB-CZ3 4.39Å; V322-W333 HydrophobicContact CB-CD2 4.27Å; V322-W333 HydrophobicContact CB-CE3 3.93Å; V322-W333 HydrophobicContact CB-CZ3 4.22Å; V322-W333 HydrophobicContact CG1-CB 4.22Å; V322-W333 HydrophobicContact CG1-CD2 4.04Å; V322-W333 HydrophobicContact CG1-CE3 3.84Å; V322-W333 HydrophobicContact CG1-CG 4.21Å; V322-W333 HydrophobicContact CG2-CD2 4Å; V322-W333 HydrophobicContact CG2-CE3 4.1Å; V322-W333 HydrophobicContact CG2-CZ2 4.42Å; V322-W333 HydrophobicContact CG2-CZ3 4.35Å; R329-W333 WeakPolarHBondContact O-CB 3.14Å; R329-W333 PolarHBondContact O-N 2.96Å; Y330-W333 HydrophobicContact CD2-CE3 4.2Å; Y330-W333 HydrophobicContact CD2-CZ3 4.42Å; Y330-W333 HydrophobicContact CE2-CE3 4.42Å; Y330-W333 HydrophobicContact CE2-CZ3 4.24Å; Y330-W333 PolarHBondContact O-N 3.15Å; W333-A335 PolarHBondContact O-N 3.02Å; W333-G336 PolarHBondContact O-N 3.13Å; W333-D338 HydrophobicContact CB-CB 3.88Å |
| 334 | L | 90.3 | Very high | 89.9 | Confident | 102 Ų | 102 | 80.1 Ų | 80.1 | 53% | 0.534 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -56.2 | -36.5 | 172.6 | -75.7 | -177.9 | 0 | 0 | 0 | 112.4 | Y330 G336 | Y330-L334 HydrophobicContact CD1-CD1 4.17Å; Y330-L334 HydrophobicContact CE1-CD1 3.54Å; Y330-L334 HydrophobicContact CE1-CG 4.32Å; Y330-L334 HydrophobicContact CE2-CD1 4.18Å; Y330-L334 HydrophobicContact CE2-CD2 4.4Å; Y330-L334 HydrophobicContact CE2-CG 4.19Å; Y330-L334 WeakPolarHBondContact O-CG 3.25Å; Y330-L334 PolarHBondContact O-N 3.37Å; L334-G336 PolarHBondContact O-N 3.42Å |
| 335 | A | 90.5 | Very high | 90 | Very high | 47 Ų | 47 | 78 Ų | 78 | 39% | 0.388 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 5.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | E331 W333 R337 | E331-A335 VanDerWaalsContact O-CB 3.28Å; E331-A335 WeakPolarHBondContact O-CB 3.24Å; E331-A335 PolarHBondContact O-N 3.42Å; W333-A335 PolarHBondContact O-N 3.02Å; A335-R337 VanDerWaalsContact C-N 3.26Å; A335-R337 HydrophobicContact CB-CG 4.42Å; A335-R337 VanDerWaalsContact CB-CZ 3.44Å; A335-R337 PolarHBondContact O-N 3.03Å |
| 336 | G | 89 | Confident | 90.2 | Very high | 62 Ų | 62 | 81.1 Ų | 81.1 | 64% | 0.639 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 19 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q332 W333 L334 | Q332-G336 PolarHBondContact O-N 3.21Å; W333-G336 PolarHBondContact O-N 3.13Å; L334-G336 PolarHBondContact O-N 3.42Å |
| 337 | R | 88.8 | Confident | 90.4 | Very high | 166 Ų | 166 | 81.3 Ų | 81.3 | 63% | 0.626 | 44% | 0.438 | S | S | * | . | trans | -99.4 | -13.1 | -177.5 | -62.8 | -170.8 | -66.1 | -100.9 | 0.5 | 114 | Q332 A335 T339 | Q332-R337 PolarHBondContact O-N 3.22Å; A335-R337 VanDerWaalsContact C-N 3.26Å; A335-R337 HydrophobicContact CB-CG 4.42Å; A335-R337 VanDerWaalsContact CB-CZ 3.44Å; A335-R337 PolarHBondContact O-N 3.03Å; R337-T339 PolarHBondContact O-N 3.3Å | ||
| 338 | D | 88.2 | Confident | 90.4 | Very high | 24 Ų | 24 | 77.9 Ų | 77.9 | 13% | 0.128 | 42% | 0.415 | C | S | . | . | trans | -78.9 | 78.1 | -178.9 | -175 | 31.9 | 0 | 0 | 0 | 112.1 | K302 R329 Q332 W333 V340 | K302-D338 WeakPolarHBondContact CE-OD2 3.36Å; K302-D338 IonicContact NZ-OD2 2.63Å; K302-D338 PolarHBondContact NZ-OD2 2.92Å; R329-D338 IonicContact CZ-OD1 2.83Å; R329-D338 VanDerWaalsContact CZ-OD1 3.28Å; R329-D338 IonicContact CZ-OD2 2.65Å; R329-D338 IonicContact NE-OD1 3.72Å; R329-D338 PolarHBondContact NE-OD1 2.94Å; R329-D338 IonicContact NE-OD2 3.06Å; R329-D338 IonicContact NH2-OD1 2.79Å; R329-D338 PolarHBondContact NH2-OD1 2.9Å; R329-D338 IonicContact NH2-OD2 3.07Å; R329-D338 PolarHBondContact NH2-OD2 3.25Å; Q332-D338 HydrophobicContact CB-CB 4.48Å; Q332-D338 PolarHBondContact O-N 3.17Å; W333-D338 HydrophobicContact CB-CB 3.88Å; D338-V340 WeakPolarHBondContact OD1-CG2 3.39Å | ||
| 339 | T | 79.8 | Confident | 90.3 | Very high | 119 Ų | 119 | 73.9 Ų | 73.9 | 73% | 0.73 | 40% | 0.397 | S | S | * | . | trans | -100.9 | 44 | -175.5 | 67.9 | 0 | 0 | 0 | 0 | 113 | R337 P341 | R337-T339 PolarHBondContact O-N 3.3Å; T339-P341 WeakPolarHBondContact O-CD 3.46Å | ||
| 340 | V | 84.9 | Confident | 90.4 | Very high | 64 Ų | 64 | 74.2 Ų | 74.2 | 39% | 0.388 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 121.3 | -178.6 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | Q303 D338 | Q303-V340 PolarHBondContact NE2-O 3.17Å; D338-V340 WeakPolarHBondContact OD1-CG2 3.39Å |
| 341 | P | 89.6 | Confident | 90.4 | Very high | 112 Ų | 112 | 72 Ų | 72 | 73% | 0.727 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 136 | 175.5 | -18.7 | 32.8 | 0 | 0 | 0 | 111.7 | T339 D343 | T339-P341 WeakPolarHBondContact O-CD 3.46Å; P341-D343 PolarHBondContact O-N 3.23Å |
| 342 | I | 93.3 | Very high | 90.3 | Very high | 43 Ų | 43 | 71.8 Ų | 71.8 | 22% | 0.221 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 122.5 | 176.9 | -53.9 | 179.6 | 0 | 0 | 0 | 110.1 | E299 Y300 Q303 H344 | E299-I342 HydrophobicContact CB-CD1 4.39Å; E299-I342 HydrophobicContact CB-CG1 4.18Å; Y300-I342 HydrophobicContact CD1-CD1 4.02Å; Y300-I342 HydrophobicContact CD2-CD1 4.26Å; Y300-I342 HydrophobicContact CD2-CG2 4.18Å; Y300-I342 HydrophobicContact CE1-CD1 4.42Å; Y300-I342 HydrophobicContact CE1-CG2 4.04Å; Y300-I342 HydrophobicContact CE2-CG2 3.57Å; Y300-I342 HydrophobicContact CG-CD1 3.98Å; Q303-I342 HydrophobicContact CB-CD1 4.22Å; Q303-I342 HydrophobicContact CG-CD1 4.43Å; I342-H344 WeakPolarHBondContact CG2-ND1 3.25Å |
| 343 | D | 92.8 | Very high | 90.3 | Very high | 74 Ų | 74 | 72.7 Ų | 72.7 | 40% | 0.396 | 39% | 0.39 | S | S | . | . | trans | -92.4 | 98.8 | 168.2 | -176.9 | -11.8 | 0 | 0 | 0 | 109.7 | P341 S345 K346 | P341-D343 PolarHBondContact O-N 3.23Å; D343-S345 PolarHBondContact O-N 3.2Å; D343-S345 VanDerWaalsContact O-N 3.11Å; D343-S345 VanDerWaalsContact OD1-CB 3.32Å; D343-S345 WeakPolarHBondContact OD1-CB 3.41Å; D343-S345 PolarHBondContact OD1-N 3.36Å; D343-S345 PolarHBondContact OD1-OG 3.27Å; D343-K346 HydrophobicContact CB-CD 4.05Å; D343-K346 HydrophobicContact CB-CG 4.18Å; D343-K346 PolarHBondContact O-N 3.08Å; D343-K346 WeakPolarHBondContact OD2-CE 3.35Å | ||
| 344 | H | 92.1 | Very high | 90.2 | Very high | 46 Ų | 46 | 72.6 Ų | 72.6 | 21% | 0.213 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -9 | -179.5 | -54 | -51 | 0 | 0 | 0 | 114.5 | P214 E215 Y300 I342 | P214-H344 HydrophobicContact CB-CB 4.25Å; E215-H344 HydrophobicContact CB-CB 4.48Å; Y300-H344 AromaticContact CE1-CE1 3.87Å; Y300-H344 AromaticContact CE1-ND1 3.6Å; Y300-H344 AromaticContact CZ-ND1 3.55Å; Y300-H344 PolarHBondContact OH-ND1 3.19Å; I342-H344 WeakPolarHBondContact CG2-ND1 3.25Å |
| 345 | S | 91.1 | Very high | 89.7 | Confident | 56 Ų | 56 | 70.3 Ų | 70.3 | 39% | 0.392 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -24.7 | 177 | 76.7 | 0 | 0 | 0 | 0 | 113.1 | H41 D343 | H41-S345 PolarHBondContact NE2-O 3.49Å; D343-S345 PolarHBondContact O-N 3.2Å; D343-S345 VanDerWaalsContact O-N 3.11Å; D343-S345 VanDerWaalsContact OD1-CB 3.32Å; D343-S345 WeakPolarHBondContact OD1-CB 3.41Å; D343-S345 PolarHBondContact OD1-N 3.36Å; D343-S345 PolarHBondContact OD1-OG 3.27Å |
| 346 | K | 92.4 | Very high | 88.5 | Confident | 130 Ų | 130 | 70.1 Ų | 70.1 | 57% | 0.565 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -73.7 | 132.5 | -177.4 | -70.8 | -179.5 | -179.4 | 179 | 0 | 111.6 | H41 R296 D343 | H41-K346 PolarHBondContact NE2-O 3.36Å; R296-K346 VanDerWaalsContact CD-O 3.24Å; R296-K346 WeakPolarHBondContact CD-O 3.22Å; D343-K346 HydrophobicContact CB-CD 4.05Å; D343-K346 HydrophobicContact CB-CG 4.18Å; D343-K346 PolarHBondContact O-N 3.08Å; D343-K346 WeakPolarHBondContact OD2-CE 3.35Å |
| 347 | P | 93.6 | Very high | 86.6 | Confident | 32 Ų | 32 | 74 Ų | 74 | 21% | 0.208 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 169.7 | 171 | 34.2 | -35 | 0 | 0 | 0 | 110.9 | E36 A351 L355 | E36-P347 HydrophobicContact CB-CB 3.72Å; E36-P347 WeakPolarHBondContact OE2-CA 3.44Å; P347-A351 HydrophobicContact CB-CB 3.97Å; P347-A351 HydrophobicContact CG-CB 4.35Å; P347-L355 HydrophobicContact CG-CD1 3.8Å |
| 348 | T | 92.7 | Very high | 84.6 | Confident | 3 Ų | 3 | 70.6 Ų | 70.6 | 2% | 0.018 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 146.9 | -179.5 | -155.8 | 0 | 0 | 0 | 0 | 112.8 | A33 E36 T294 R296 E350 A351 | A33-T348 HydrophobicContact CB-CG2 4.21Å; E36-T348 WeakPolarHBondContact OE2-CB 3.14Å; E36-T348 PolarHBondContact OE2-N 3.06Å; T294-T348 WeakPolarHBondContact CB-OG1 3.33Å; T294-T348 PolarHBondContact OG1-OG1 3.1Å; R296-T348 VanDerWaalsContact CB-OG1 3.25Å; R296-T348 WeakPolarHBondContact CB-OG1 3.35Å; R296-T348 PolarHBondContact N-OG1 2.88Å; T348-E350 WeakPolarHBondContact CB-OE2 3.41Å; T348-E350 HydrophobicContact CG2-CB 4.17Å; T348-E350 WeakPolarHBondContact CG2-OE2 3.43Å; T348-E350 PolarHBondContact O-N 3.32Å; T348-E350 VanDerWaalsContact O-N 3.14Å; T348-E350 PolarHBondContact OG1-OE2 2.84Å; T348-A351 HydrophobicContact CG2-CB 4.31Å; T348-A351 WeakPolarHBondContact O-CA 3.41Å; T348-A351 WeakPolarHBondContact O-CB 3.29Å; T348-A351 PolarHBondContact O-N 3.39Å |
| 349 | P | 91.9 | Very high | 82.5 | Confident | 60 Ų | 60 | 73.7 Ų | 73.7 | 39% | 0.39 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -50.7 | -37.3 | -177.9 | -30.3 | 36.1 | 0 | 0 | 0 | 114.5 | E295 A351 R352 | E295-P349 HydrophobicContact CB-CG 3.92Å; P349-A351 PolarHBondContact O-N 3.38Å; P349-A351 VanDerWaalsContact O-N 3.16Å; P349-R352 VanDerWaalsContact O-CB 3.26Å; P349-R352 WeakPolarHBondContact O-CB 3.46Å; P349-R352 PolarHBondContact O-N 2.92Å; P349-R352 VanDerWaalsContact O-N 3.08Å |
| 350 | E | 91.5 | Very high | 80.3 | Confident | 67 Ų | 67 | 70.3 Ų | 70.3 | 31% | 0.313 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -58.2 | -25.6 | 176.1 | -51.6 | 92.4 | 138.2 | 0 | 0 | 112.1 | A33 T294 E295 T348 R352 | A33-E350 HydrophobicContact CB-CB 3.86Å; T294-E350 WeakPolarHBondContact CB-OE1 3.43Å; E295-E350 PolarHBondContact N-OE1 2.86Å; T348-E350 WeakPolarHBondContact CB-OE2 3.41Å; T348-E350 HydrophobicContact CG2-CB 4.17Å; T348-E350 WeakPolarHBondContact CG2-OE2 3.43Å; T348-E350 PolarHBondContact O-N 3.32Å; T348-E350 VanDerWaalsContact O-N 3.14Å; T348-E350 PolarHBondContact OG1-OE2 2.84Å; E350-R352 PolarHBondContact O-N 2.84Å |
| 351 | A | 92 | Very high | 77.9 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -71.6 | -7.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A33 P347 T348 P349 E353 F354 L355 | A33-A351 HydrophobicContact CB-CB 4.31Å; A33-A351 WeakPolarHBondContact O-CB 3.34Å; P347-A351 HydrophobicContact CB-CB 3.97Å; P347-A351 HydrophobicContact CG-CB 4.35Å; T348-A351 HydrophobicContact CG2-CB 4.31Å; T348-A351 WeakPolarHBondContact O-CA 3.41Å; T348-A351 WeakPolarHBondContact O-CB 3.29Å; T348-A351 PolarHBondContact O-N 3.39Å; P349-A351 PolarHBondContact O-N 3.38Å; P349-A351 VanDerWaalsContact O-N 3.16Å; A351-E353 PolarHBondContact O-N 2.77Å; A351-E353 VanDerWaalsContact O-N 3.17Å; A351-F354 PolarHBondContact O-N 3.36Å; A351-L355 HydrophobicContact CB-CD1 4.47Å; A351-L355 WeakPolarHBondContact O-CG 3.48Å |
| 352 | R | 89.1 | Confident | 75.3 | Confident | 146 Ų | 146 | 72.2 Ų | 72.2 | 55% | 0.551 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -54.7 | -31.7 | 177 | -175.6 | 175.7 | 177.4 | 174.1 | 0.9 | 112.5 | P349 E350 F354 L355 G356 F359 | P349-R352 VanDerWaalsContact O-CB 3.26Å; P349-R352 WeakPolarHBondContact O-CB 3.46Å; P349-R352 PolarHBondContact O-N 2.92Å; P349-R352 VanDerWaalsContact O-N 3.08Å; E350-R352 PolarHBondContact O-N 2.84Å; R352-F354 PolarHBondContact O-N 3.3Å; R352-L355 PolarHBondContact O-N 3.35Å; R352-G356 PolarHBondContact O-N 2.82Å; R352-F359 HydrophobicContact CG-CB 4.48Å; R352-F359 HydrophobicContact CG-CG 4.38Å |
| 353 | E | 90.6 | Very high | 72.5 | Confident | 113 Ų | 113 | 73.9 Ų | 73.9 | 53% | 0.528 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -52.2 | -38 | 174.7 | -160 | -161.8 | 154.7 | 0 | 0 | 112.5 | R30 A351 | R30-E353 IonicContact CZ-OE1 2.73Å; R30-E353 IonicContact CZ-OE2 2.71Å; R30-E353 IonicContact NE-OE1 3.31Å; R30-E353 PolarHBondContact NE-OE1 3.07Å; R30-E353 IonicContact NE-OE2 3.13Å; R30-E353 PolarHBondContact NE-OE2 3.12Å; R30-E353 IonicContact NH2-OE1 2.67Å; R30-E353 PolarHBondContact NH2-OE1 3.06Å; R30-E353 IonicContact NH2-OE2 3.75Å; A351-E353 PolarHBondContact O-N 2.77Å; A351-E353 VanDerWaalsContact O-N 3.17Å |
| 354 | F | 89.8 | Confident | 69.6 | Low | 59 Ų | 59 | 77 Ų | 77 | 26% | 0.259 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -96.4 | -1.9 | -172.2 | -52.3 | -69.2 | 0 | 0 | 0 | 114.5 | R30 A33 Y34 S37 A351 R352 | R30-F354 HydrophobicContact CG-CE2 4.42Å; R30-F354 HydrophobicContact CG-CZ 3.78Å; A33-F354 HydrophobicContact CB-CE2 3.99Å; Y34-F354 AromaticContact CD2-CD1 3.83Å; Y34-F354 HydrophobicContact CD2-CD1 3.83Å; Y34-F354 HydrophobicContact CD2-CE1 4.01Å; Y34-F354 HydrophobicContact CD2-CG 4.13Å; Y34-F354 HydrophobicContact CD2-CZ 4.47Å; S37-F354 WeakPolarHBondContact OG-CB 3.42Å; A351-F354 PolarHBondContact O-N 3.36Å; R352-F354 PolarHBondContact O-N 3.3Å |
| 355 | L | 79.8 | Confident | 66.5 | Low | 54 Ų | 54 | 80.3 Ų | 80.3 | 28% | 0.283 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | -16.8 | -172.8 | -63.4 | 170.6 | 0 | 0 | 0 | 113.3 | P347 A351 R352 S358 | P347-L355 HydrophobicContact CG-CD1 3.8Å; A351-L355 HydrophobicContact CB-CD1 4.47Å; A351-L355 WeakPolarHBondContact O-CG 3.48Å; R352-L355 PolarHBondContact O-N 3.35Å; L355-S358 WeakPolarHBondContact O-CB 3.24Å; L355-S358 PolarHBondContact O-OG 2.85Å |
| 356 | G | 66.3 | Low | 63.5 | Low | 42 Ų | 42 | 82.9 Ų | 82.9 | 43% | 0.433 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | 62.6 | -158.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R352 S358 F359 | R352-G356 PolarHBondContact O-N 2.82Å; G356-S358 PolarHBondContact O-N 3.37Å; G356-F359 PolarHBondContact O-N 2.88Å |
| 357 | D | 47.6 | Very low | 60.4 | Low | 143 Ų | 143 | 86.7 Ų | 86.7 | 77% | 0.765 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -65.5 | -3.7 | -177.9 | -66.4 | -48.2 | 0 | 0 | 0 | 114.7 | F359 S360 | D357-F359 PolarHBondContact O-N 2.83Å; D357-S360 PolarHBondContact O-N 2.93Å; D357-S360 PolarHBondContact O-OG 3.17Å; D357-S360 VanDerWaalsContact O-OG 3.05Å |
| 358 | S | 47 | Very low | 57.2 | Low | 95 Ų | 95 | 93.2 Ų | 93.2 | 66% | 0.664 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -54.9 | -19.2 | 171 | -42.7 | 0 | 0 | 0 | 0 | 113.5 | L355 G356 | L355-S358 WeakPolarHBondContact O-CB 3.24Å; L355-S358 PolarHBondContact O-OG 2.85Å; G356-S358 PolarHBondContact O-N 3.37Å |
| 359 | F | 44.5 | Very low | 54.3 | Low | 89 Ų | 89 | 101.8 Ų | 101.8 | 39% | 0.39 | 57% | 0.57 | S | S | . | * | G | 310 helix | trans | -83.5 | -26.8 | -176.6 | -158 | -94.2 | 0 | 0 | 0 | 114.7 | R352 G356 D357 | R352-F359 HydrophobicContact CG-CB 4.48Å; R352-F359 HydrophobicContact CG-CG 4.38Å; G356-F359 PolarHBondContact O-N 2.88Å; D357-F359 PolarHBondContact O-N 2.83Å |
| 360 | S | 34.8 | Very low | 51.3 | Low | 48 Ų | 48 | 105.2 Ų | 105.2 | 34% | 0.336 | 60% | 0.595 | S | S | . | * | G | 310 helix | trans | -80.4 | -26.7 | -170.1 | 57.1 | 0 | 0 | 0 | 0 | 114.3 | D357 S362 S363 | D357-S360 PolarHBondContact O-N 2.93Å; D357-S360 PolarHBondContact O-OG 3.17Å; D357-S360 VanDerWaalsContact O-OG 3.05Å; S360-S362 PolarHBondContact O-N 3.41Å; S360-S363 PolarHBondContact O-N 3.4Å; S360-S363 PolarHBondContact O-OG 2.95Å |
| 361 | S | 33.2 | Very low | 48.1 | Very low | 103 Ų | 103 | 105.3 Ų | 105.3 | 72% | 0.72 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -64.5 | 5.8 | -178.6 | 65.3 | 0 | 0 | 0 | 0 | 115.9 | ||
| 362 | S | 35 | Very low | 44.8 | Very low | 113 Ų | 113 | 111.3 Ų | 111.3 | 79% | 0.79 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -129.2 | 2.7 | -176.2 | -63.8 | 0 | 0 | 0 | 0 | 114.6 | S360 | S360-S362 PolarHBondContact O-N 3.41Š|
| 363 | S | 35.2 | Very low | 41.8 | Very low | 79 Ų | 79 | 113 Ų | 113 | 55% | 0.552 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.7 | -29.6 | -172.1 | 50.8 | 0 | 0 | 0 | 0 | 116.5 | S360 | S360-S363 PolarHBondContact O-N 3.4Å; S360-S363 PolarHBondContact O-OG 2.95Å |
| 364 | D | 31.1 | Very low | 38.8 | Very low | 138 Ų | 138 | 115.6 Ų | 115.6 | 74% | 0.738 | 69% | 0.687 | S | S | * | * | trans | -103.6 | 101.5 | -171.4 | -72.3 | -63.7 | 0 | 0 | 0 | 113.4 | ||||
| 365 | S | 27.3 | Very low | 35.9 | Very low | 116 Ų | 116 | 116.5 Ų | 116.5 | 81% | 0.811 | 71% | 0.713 | S | S | * | * | trans | -161.9 | 39.7 | 164.9 | 50.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 366 | S | 28.9 | Very low | 33.4 | Very low | 110 Ų | 110 | 121.1 Ų | 121.1 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | trans | -169.3 | 87.1 | 156.2 | 42.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 367 | F | 26.4 | Very low | 31.6 | Very low | 211 Ų | 211 | 128.5 Ų | 128.5 | 93% | 0.925 | 75% | 0.748 | S | S | * | * | trans | -157.5 | 126.3 | 147.1 | -106.7 | -71.4 | 0 | 0 | 0 | 110.5 | ||||
| 368 | N | 27.1 | Very low | 30.5 | Very low | 169 Ų | 169 | 131.5 Ų | 131.5 | 90% | 0.904 | 75% | 0.754 | S | S | * | * | trans | -161.5 | 141.1 | 160.7 | -133.5 | 1.5 | 0 | 0 | 0 | 107.7 | ||||
| 369 | E | 31.4 | Very low | 29.4 | Very low | 183 Ų | 183 | 131.8 Ų | 131.8 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | trans | -90.4 | 149.4 | -165.8 | -63.6 | -172.7 | 113.9 | 0 | 0 | 115.1 | ||||
| 370 | S | 27.9 | Very low | 28.4 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | trans | -161 | 150.2 | 139.6 | -13.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 371 | G | 24.4 | Very low | 27.9 | Very low | 69 Ų | 69 | 138.6 Ų | 138.6 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | -127.9 | 165.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 372 | C | 22.9 | Very low | 27.6 | Very low | 127 Ų | 127 | 144.4 Ų | 144.4 | 86% | 0.858 | 80% | 0.797 | S | S | * | * | trans | 64.8 | 146.7 | -170.7 | -64.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 373 | E | 27.3 | Very low | 27.1 | Very low | 182 Ų | 182 | 146.3 Ų | 146.3 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | cis | -141.7 | -167.3 | 11.1 | -138 | 159.4 | -156.2 | 0 | 0 | 111.5 | ||||
| 374 | D | 27 | Very low | 26.4 | Very low | 166 Ų | 166 | 150 Ų | 150 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -50.2 | 152.1 | -170.9 | -78.8 | -53.1 | 0 | 0 | 0 | 118 | ||||
| 375 | G | 28.3 | Very low | 26 | Very low | 79 Ų | 79 | 146.4 Ų | 146.4 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | 172.6 | 103.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 376 | E | 28 | Very low | 25.8 | Very low | 151 Ų | 151 | 149 Ų | 149 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -76.8 | 149.4 | -177.2 | -118.1 | -155.8 | 112.8 | 0 | 0 | 115.6 | ||||
| 377 | R | 28.5 | Very low | 25.5 | Very low | 196 Ų | 196 | 153.1 Ų | 153.1 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | trans | 80.7 | 98.8 | 152.1 | -62.5 | 162.8 | -167.1 | 171.1 | 16.1 | 121.4 | ||||
| 378 | K | 24.6 | Very low | 25.4 | Very low | 206 Ų | 206 | 151 Ų | 151 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | 20.5 | 121.8 | 122.2 | -59.3 | 169.7 | -177.7 | 166 | 0 | 118.5 | |||||
| 379 | S | 23.3 | Very low | 25.5 | Very low | 102 Ų | 102 | 154 Ų | 154 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | -161.4 | 123.5 | 117.2 | -154.2 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 380 | T | 24.6 | Very low | 25.3 | Very low | 106 Ų | 106 | 152 Ų | 152 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | trans | 48.4 | 131.8 | 139.7 | 55.6 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 381 | Q | 24.4 | Very low | 25.1 | Very low | 174 Ų | 174 | 151 Ų | 151 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | 67.7 | 127.1 | 142.1 | -63.9 | 170.6 | 10.1 | 0 | 0 | 116.9 | ||||
| 382 | R | 25 | Very low | 25.2 | Very low | 224 Ų | 224 | 156 Ų | 156 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | cis | 70.6 | 82.9 | 44.8 | -164.6 | -152 | -179 | 150.7 | 8.7 | 114.3 | ||||
| 383 | I | 24.8 | Very low | 25.3 | Very low | 153 Ų | 153 | 158.2 Ų | 158.2 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | -148.8 | 120.7 | 145.6 | -101 | 150.9 | 0 | 0 | 0 | 103.7 | ||||
| 384 | E | 21.6 | Very low | 25.2 | Very low | 156 Ų | 156 | 155.6 Ų | 155.6 | 73% | 0.729 | 78% | 0.777 | S | S | * | * | 55.9 | 130.6 | 85.3 | -76.5 | -163.5 | -159.5 | 0 | 0 | 113.5 | |||||
| 385 | A | 22.5 | Very low | 25.5 | Very low | 64 Ų | 64 | 152.2 Ų | 152.2 | 53% | 0.529 | 76% | 0.764 | S | S | . | * | cis | -170.5 | 174.6 | -8.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 386 | K | 23 | Very low | 25.4 | Very low | 170 Ų | 170 | 155.2 Ų | 155.2 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | trans | 70.5 | 166.2 | 156.8 | -62.4 | 148.2 | -171.1 | 160.7 | 0 | 114.2 | ||||
| 387 | R | 23.3 | Very low | 25.3 | Very low | 196 Ų | 196 | 156.6 Ų | 156.6 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | cis | -153.7 | 142.8 | -2.7 | -131.7 | 158.2 | -174 | 178 | -3.1 | 111.5 | ||||
| 388 | H | 24.1 | Very low | 25.3 | Very low | 167 Ų | 167 | 153.2 Ų | 153.2 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | 50.4 | 124.7 | 140.1 | -73.1 | 21.4 | 0 | 0 | 0 | 122.9 | ||||
| 389 | R | 27.7 | Very low | 25.5 | Very low | 233 Ų | 233 | 149.6 Ų | 149.6 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | trans | 30.7 | 110.3 | 130.9 | -83.4 | -174.2 | 160.7 | 122.6 | -0.8 | 119.7 | ||||
| 390 | V | 27.3 | Very low | 26.6 | Very low | 140 Ų | 140 | 149.7 Ų | 149.7 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | 34.2 | 118.7 | 116.1 | -173.6 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 391 | C | 25.4 | Very low | 26.8 | Very low | 110 Ų | 110 | 151.5 Ų | 151.5 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | -79.6 | 166.1 | 176.9 | -50 | 0 | 0 | 0 | 0 | 114 | ||||
| 392 | L | 25.6 | Very low | 27.1 | Very low | 174 Ų | 174 | 148.3 Ų | 148.3 | 91% | 0.911 | 75% | 0.75 | S | S | * | * | -123.4 | 155.1 | 128.3 | -81.5 | 173 | 0 | 0 | 0 | 107.7 | |||||
| 393 | E | 24.2 | Very low | 27.5 | Very low | 173 Ų | 173 | 144.3 Ų | 144.3 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | trans | -79.8 | 179.1 | -173.8 | -58.3 | 157.8 | 157.3 | 0 | 0 | 110.5 | ||||
| 394 | V | 25.4 | Very low | 27.8 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | cis | -163.4 | 170.7 | 23.5 | -123.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 395 | P | 34.5 | Very low | 28.2 | Very low | 95 Ų | 95 | 142.1 Ų | 142.1 | 62% | 0.617 | 74% | 0.735 | S | S | * | * | cis | -132.3 | -171.1 | -43 | 42.6 | -26.4 | 0 | 0 | 0 | 113.4 | ||||
| 396 | D | 25.5 | Very low | 28.6 | Very low | 143 Ų | 143 | 145 Ų | 145 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | trans | 69.5 | 122.2 | 146 | -58.3 | -29.6 | 0 | 0 | 0 | 125.1 | ||||
| 397 | E | 26.8 | Very low | 29.1 | Very low | 179 Ų | 179 | 145 Ų | 145 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | 112.6 | 135.1 | 123.8 | -104 | -174.2 | -141.2 | 0 | 0 | 123.6 | |||||
| 398 | V | 26.9 | Very low | 29.4 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | trans | 73.5 | 130.5 | 164.9 | -146.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 399 | V | 30.2 | Very low | 29.6 | Very low | 129 Ų | 129 | 143.5 Ų | 143.5 | 78% | 0.782 | 74% | 0.739 | S | S | * | * | trans | -89.3 | -167.3 | -170.3 | -144.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 400 | P | 46.4 | Very low | 29.5 | Very low | 104 Ų | 104 | 135 Ų | 135 | 68% | 0.675 | 72% | 0.724 | S | S | * | * | -117.5 | -166.8 | -111.8 | 45.5 | -29.1 | 0 | 0 | 0 | 114.6 | |||||
| 401 | K | 28.3 | Very low | 29.4 | Very low | 145 Ų | 145 | 138.3 Ų | 138.3 | 63% | 0.63 | 73% | 0.727 | S | S | * | * | trans | 173.4 | 140.6 | 134 | -93.1 | -148.1 | 147.4 | -84.2 | 0 | 109 | E403 | K401-E403 IonicContact NZ-OE2 3.24Å; K401-E403 PolarHBondContact NZ-OE2 3.04Å | ||
| 402 | D | 30.3 | Very low | 29.3 | Very low | 107 Ų | 107 | 144.3 Ų | 144.3 | 57% | 0.572 | 73% | 0.734 | S | S | * | * | 70.2 | 135.5 | 60.1 | -50.7 | -8.9 | 0 | 0 | 0 | 110.5 | |||||
| 403 | E | 34.6 | Very low | 30.4 | Very low | 140 Ų | 140 | 141.1 Ų | 141.1 | 65% | 0.654 | 72% | 0.724 | S | S | * | * | cis | -160.9 | 158.7 | 10.4 | -103.9 | 140.5 | 167 | 0 | 0 | 108.7 | K401 | K401-E403 IonicContact NZ-OE2 3.24Å; K401-E403 PolarHBondContact NZ-OE2 3.04Å | ||
| 404 | D | 30.3 | Very low | 30.5 | Very low | 135 Ų | 135 | 143.3 Ų | 143.3 | 72% | 0.722 | 73% | 0.725 | S | S | * | * | trans | 51.8 | 160.9 | 137.4 | -49.1 | -10.8 | 0 | 0 | 0 | 122 | ||||
| 405 | D | 30.4 | Very low | 30.5 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 68% | 0.684 | 72% | 0.723 | S | S | * | * | cis | -162.1 | 170.3 | -13.9 | -115.3 | -17.5 | 0 | 0 | 0 | 112.6 | ||||
| 406 | D | 31 | Very low | 30.2 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 66% | 0.663 | 73% | 0.727 | S | S | * | * | trans | 41 | 126.4 | 144.1 | -71.4 | -15.7 | 0 | 0 | 0 | 124.1 | ||||
| 407 | E | 32.7 | Very low | 30.1 | Very low | 170 Ų | 170 | 145.4 Ų | 145.4 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | 104.5 | 160.9 | 98.5 | -91.8 | -161 | 162.2 | 0 | 0 | 113 | |||||
| 408 | E | 30.3 | Very low | 30.3 | Very low | 141 Ų | 141 | 144.1 Ų | 144.1 | 66% | 0.659 | 73% | 0.73 | S | S | * | * | cis | -147.5 | -169.5 | -23.1 | -149.9 | -146.1 | 165.7 | 0 | 0 | 108.3 | ||||
| 409 | Y | 27.2 | Very low | 31.4 | Very low | 190 Ų | 190 | 142.8 Ų | 142.8 | 75% | 0.745 | 72% | 0.724 | S | S | * | * | trans | 14.8 | 132 | 159.7 | -106.4 | -113.3 | 0 | 0 | 0 | 121.1 | ||||
| 410 | G | 25.6 | Very low | 31.1 | Very low | 54 Ų | 54 | 145.1 Ų | 145.1 | 56% | 0.557 | 73% | 0.726 | S | S | * | * | cis | 117.6 | 105 | 13.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 411 | K | 26.6 | Very low | 30.2 | Very low | 210 Ų | 210 | 151.4 Ų | 151.4 | 91% | 0.913 | 74% | 0.736 | S | S | * | * | trans | -166.1 | 163.4 | 164.4 | -105.7 | 138.7 | -168.2 | 167.3 | 0 | 115 | ||||
| 412 | R | 23.6 | Very low | 30.2 | Very low | 237 Ų | 237 | 149 Ų | 149 | 89% | 0.894 | 74% | 0.743 | S | S | * | * | trans | -125.3 | 177 | -178.8 | -86.9 | -179.1 | 179.4 | 179 | 1.1 | 108.2 | ||||
| 413 | P | 47.6 | Very low | 30.1 | Very low | 107 Ų | 107 | 150.6 Ų | 150.6 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | cis | -139.7 | -165.9 | -28.7 | 36 | -15.1 | 0 | 0 | 0 | 114.4 | ||||
| 414 | R | 26.7 | Very low | 29.8 | Very low | 218 Ų | 218 | 147.7 Ų | 147.7 | 82% | 0.823 | 76% | 0.756 | S | S | * | * | trans | 94 | 125.9 | 144.9 | -85.4 | -179.1 | 168.4 | 164.5 | -2.5 | 122.7 | ||||
| 415 | L | 24.5 | Very low | 29.7 | Very low | 140 Ų | 140 | 149.6 Ų | 149.6 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | 72 | 102.2 | 135.4 | -67.3 | 168.7 | 0 | 0 | 0 | 122.4 | ||||
| 416 | S | 28.3 | Very low | 29.7 | Very low | 100 Ų | 100 | 150.6 Ų | 150.6 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | 37 | 130.9 | 124 | 62.4 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 417 | L | 24.4 | Very low | 29.5 | Very low | 170 Ų | 170 | 147.2 Ų | 147.2 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | trans | -167.7 | 158 | 133.1 | -106.6 | 165.7 | 0 | 0 | 0 | 113.2 | ||||
| 418 | I | 30.1 | Very low | 29.4 | Very low | 152 Ų | 152 | 151.2 Ų | 151.2 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | -160.4 | 153.4 | -165.4 | -65.2 | -178 | 0 | 0 | 0 | 108.1 | ||||
| 419 | P | 49.9 | Very low | 29.4 | Very low | 97 Ų | 97 | 156.4 Ų | 156.4 | 63% | 0.63 | 78% | 0.781 | S | S | * | * | cis | -122.4 | -160.3 | -13.6 | 40.6 | -24.6 | 0 | 0 | 0 | 112.5 | ||||
| 420 | H | 25.5 | Very low | 29.5 | Very low | 178 Ų | 178 | 154.6 Ų | 154.6 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | -169.6 | -177.2 | 116.9 | -108.5 | -79.5 | 0 | 0 | 0 | 114.6 | |||||
| 421 | R | 27 | Very low | 29.7 | Very low | 237 Ų | 237 | 161.6 Ų | 161.6 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | trans | -139.1 | 153.3 | -159.2 | -90.7 | 176.2 | 159.2 | 177.1 | -5.5 | 114.9 | ||||
| 422 | A | 26.8 | Very low | 29.9 | Very low | 93 Ų | 93 | 155.5 Ų | 155.5 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -149.5 | 132.2 | 141 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 423 | V | 29.9 | Very low | 30.2 | Very low | 141 Ų | 141 | 149.8 Ų | 149.8 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | 78.8 | 125.3 | 53.9 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 424 | A | 27.5 | Very low | 29.8 | Very low | 79 Ų | 79 | 149 Ų | 149 | 65% | 0.653 | 79% | 0.785 | S | S | * | * | cis | -145.3 | 166.9 | 22.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 425 | H | 28.7 | Very low | 29.9 | Very low | 175 Ų | 175 | 149.1 Ų | 149.1 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | 32.8 | 149 | 145.4 | -78.6 | -85.1 | 0 | 0 | 0 | 122.8 | ||||
| 426 | D | 29 | Very low | 29.9 | Very low | 149 Ų | 149 | 148.7 Ų | 148.7 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | cis | -150.8 | 170.8 | 11.9 | -157.8 | 24 | 0 | 0 | 0 | 113.9 | ||||
| 427 | G | 28.5 | Very low | 29.8 | Very low | 53 Ų | 53 | 149 Ų | 149 | 55% | 0.546 | 79% | 0.787 | S | S | . | * | trans | 111.7 | 102.2 | 150.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 428 | R | 30 | Very low | 29.9 | Very low | 254 Ų | 254 | 147.7 Ų | 147.7 | 96% | 0.958 | 79% | 0.785 | S | S | * | * | trans | 72.3 | 152.9 | 160 | -52.7 | -172.6 | -176.7 | -147.4 | -1.4 | 117.4 | ||||
| 429 | R | 30.7 | Very low | 29.8 | Very low | 250 Ų | 250 | 145.9 Ų | 145.9 | 94% | 0.943 | 78% | 0.782 | S | S | * | * | trans | -108.4 | 140.7 | -162.9 | -72.5 | -178.9 | 175.5 | 173.1 | -1.2 | 114.4 | ||||
| 430 | N | 28.8 | Very low | 28.9 | Very low | 153 Ų | 153 | 146.6 Ų | 146.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -36.3 | 134.9 | 167.4 | -52.8 | -22.8 | 0 | 0 | 0 | 115.7 | ||||
| 431 | K | 30.4 | Very low | 29 | Very low | 201 Ų | 201 | 144.1 Ų | 144.1 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | -162.9 | 142.7 | 93.7 | -93.3 | 163.9 | -175.3 | -178.8 | 0 | 109.2 | P433 | K431-P433 WeakPolarHBondContact O-CD 3.45Š| |||
| 432 | G | 30.9 | Very low | 28.9 | Very low | 82 Ų | 82 | 141.7 Ų | 141.7 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -81 | 128.5 | -160.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 433 | P | 29.3 | Very low | 28.9 | Very low | 117 Ų | 117 | 144.6 Ų | 144.6 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -102.3 | -174.3 | 158.5 | 41.1 | -31.9 | 0 | 0 | 0 | 110.5 | K431 | K431-P433 WeakPolarHBondContact O-CD 3.45Š| ||
| 434 | P | 38.1 | Very low | 28.8 | Very low | 90 Ų | 90 | 143.4 Ų | 143.4 | 58% | 0.584 | 78% | 0.775 | S | S | * | * | -124.9 | 159.5 | -56.6 | 36.6 | -24.9 | 0 | 0 | 0 | 111.3 | L436 | P434-L436 VanDerWaalsContact C-N 3.29Å; P434-L436 HydrophobicContact CB-CD1 4.24Å; P434-L436 HydrophobicContact CB-CG 4.22Å; P434-L436 HydrophobicContact CG-CB 4.3Å; P434-L436 HydrophobicContact CG-CD1 4.09Å; P434-L436 HydrophobicContact CG-CG 4.33Å; P434-L436 PolarHBondContact O-N 3.43Å | |||
| 435 | K | 29.4 | Very low | 28.7 | Very low | 220 Ų | 220 | 147.5 Ų | 147.5 | 96% | 0.957 | 79% | 0.785 | S | S | * | * | trans | -88.3 | 72 | 158.8 | -80.2 | -167.3 | 174 | -176 | 0 | 110.3 | ||||
| 436 | L | 25.2 | Very low | 28.7 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | trans | -100.1 | 120.3 | 162.5 | -77.5 | 169.4 | 0 | 0 | 0 | 107.2 | P434 | P434-L436 VanDerWaalsContact C-N 3.29Å; P434-L436 HydrophobicContact CB-CD1 4.24Å; P434-L436 HydrophobicContact CB-CG 4.22Å; P434-L436 HydrophobicContact CG-CB 4.3Å; P434-L436 HydrophobicContact CG-CD1 4.09Å; P434-L436 HydrophobicContact CG-CG 4.33Å; P434-L436 PolarHBondContact O-N 3.43Å | ||
| 437 | V | 26.5 | Very low | 28.7 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 66% | 0.655 | 78% | 0.782 | S | S | * | * | 65.9 | 103.6 | 93.6 | 175.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 438 | V | 26 | Very low | 29.1 | Very low | 141 Ų | 141 | 149.5 Ų | 149.5 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | -130.6 | 94.9 | 149.3 | 179.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 439 | T | 28.7 | Very low | 28.9 | Very low | 115 Ų | 115 | 146.8 Ų | 146.8 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -64.5 | 146.8 | 154.1 | 45.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 440 | P | 30.7 | Very low | 28.7 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | -147.8 | -177 | 79.2 | 45.8 | -28.7 | 0 | 0 | 0 | 112.7 | |||||
| 441 | T | 27.8 | Very low | 28.8 | Very low | 125 Ų | 125 | 147.1 Ų | 147.1 | 77% | 0.767 | 78% | 0.784 | S | S | * | * | cis | -143.8 | 159.5 | 3 | -30.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 442 | K | 24.6 | Very low | 28.5 | Very low | 186 Ų | 186 | 142.7 Ų | 142.7 | 81% | 0.809 | 78% | 0.779 | S | S | * | * | trans | -61 | 152 | 156.4 | -91.2 | -174.8 | 173.4 | -177.9 | 0 | 110.5 | ||||
| 443 | L | 25.8 | Very low | 28.3 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | 171.5 | 93.5 | 135.4 | -89 | 161.9 | 0 | 0 | 0 | 106.2 | ||||
| 444 | T | 27.8 | Very low | 28.2 | Very low | 116 Ų | 116 | 147.1 Ų | 147.1 | 71% | 0.712 | 77% | 0.773 | S | S | * | * | 53.3 | 112.8 | 99.4 | 61.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 445 | L | 26.5 | Very low | 27.7 | Very low | 165 Ų | 165 | 150.7 Ų | 150.7 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -135.3 | 109.1 | 159.9 | -119.8 | 166.1 | 0 | 0 | 0 | 107.4 | ||||
| 446 | M | 27 | Very low | 27.5 | Very low | 168 Ų | 168 | 145.1 Ų | 145.1 | 83% | 0.828 | 77% | 0.771 | S | S | * | * | trans | -103.6 | 163.6 | 165.9 | -87.7 | -71.7 | 108.5 | 0 | 0 | 109.1 | ||||
| 447 | D | 30.8 | Very low | 27.6 | Very low | 135 Ų | 135 | 146.5 Ų | 146.5 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | -49.2 | 148.7 | 172.5 | -140.5 | -29.8 | 0 | 0 | 0 | 111.5 | F449 | D447-F449 PolarHBondContact OD1-N 3.41Š| ||
| 448 | P | 35.2 | Very low | 27.5 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | -151 | 150.2 | 91.9 | 37.9 | -20.7 | 0 | 0 | 0 | 116.9 | |||||
| 449 | F | 26.1 | Very low | 27.4 | Very low | 196 Ų | 196 | 146.6 Ų | 146.6 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -88.1 | 118 | 146.4 | -96.3 | -86.7 | 0 | 0 | 0 | 111.3 | D447 | D447-F449 PolarHBondContact OD1-N 3.41Š| ||
| 450 | H | 27.7 | Very low | 27.3 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | -175.9 | 150.1 | 127.4 | -109.8 | -73.7 | 0 | 0 | 0 | 114.5 | |||||
| 451 | R | 29.2 | Very low | 27 | Very low | 231 Ų | 231 | 143 Ų | 143 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | 68.8 | 92.2 | 165.3 | -69.2 | -171.6 | 171 | -154.6 | -2 | 119.5 | ||||
| 452 | S | 25.6 | Very low | 26.9 | Very low | 109 Ų | 109 | 148.7 Ų | 148.7 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | 49.7 | 142.7 | 106.2 | -153.8 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 453 | M | 26.5 | Very low | 28.3 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | 93.5 | 118.7 | 161.7 | -73.2 | -64 | -174.8 | 0 | 0 | 121.1 | ||||
| 454 | L | 26.5 | Very low | 28.9 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 70% | 0.696 | 79% | 0.794 | S | S | * | * | trans | 79 | 108.9 | 142.9 | -63.3 | 166.2 | 0 | 0 | 0 | 122.5 | ||||
| 455 | Q | 27.7 | Very low | 28.9 | Very low | 164 Ų | 164 | 145.7 Ų | 145.7 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | 83.5 | 118.2 | 125.8 | -73.5 | 178.7 | -7.1 | 0 | 0 | 123.6 | |||||
| 456 | S | 26 | Very low | 29.1 | Very low | 104 Ų | 104 | 146.9 Ų | 146.9 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | 93.3 | 134.1 | 133 | 75.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 457 | N | 26.1 | Very low | 29.2 | Very low | 160 Ų | 160 | 144 Ų | 144 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | 39.6 | 121.4 | 152.4 | -50 | -10.9 | 0 | 0 | 0 | 118 | ||||
| 458 | G | 24.9 | Very low | 29.2 | Very low | 81 Ų | 81 | 145.7 Ų | 145.7 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | 103.6 | 152.3 | 57.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 459 | D | 24.6 | Very low | 29 | Very low | 169 Ų | 169 | 146.8 Ų | 146.8 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | cis | -162.1 | 161.9 | -1.9 | 173.2 | 33.6 | 0 | 0 | 0 | 107.4 | ||||
| 460 | G | 25.3 | Very low | 29.1 | Very low | 71 Ų | 71 | 148.6 Ų | 148.6 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | 68.7 | 163.1 | 178 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 461 | G | 24.5 | Very low | 29 | Very low | 80 Ų | 80 | 144.1 Ų | 144.1 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | cis | -163.9 | 167.4 | -6.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 462 | R | 25.8 | Very low | 29.4 | Very low | 245 Ų | 245 | 139.4 Ų | 139.4 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -130.3 | 176.9 | -172.5 | -128.2 | -163.9 | -173.8 | -161 | 5.6 | 113 | ||||
| 463 | P | 54.3 | Low | 29.5 | Very low | 94 Ų | 94 | 138.8 Ų | 138.8 | 61% | 0.61 | 79% | 0.786 | S | S | * | * | -97.3 | -165.8 | -124.6 | 44 | -32.1 | 0 | 0 | 0 | 113.9 | |||||
| 464 | P | 37.9 | Very low | 29.6 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | -139.9 | 171.9 | 124.9 | 36.4 | -23 | 0 | 0 | 0 | 116.7 | |||||
| 465 | H | 28.7 | Very low | 29.5 | Very low | 174 Ų | 174 | 138.6 Ų | 138.6 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | -96.6 | 174 | 172.4 | -74.8 | -81.3 | 0 | 0 | 0 | 111.2 | ||||
| 466 | Y | 31.5 | Very low | 29.5 | Very low | 191 Ų | 191 | 136.3 Ų | 136.3 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | -174.1 | -172.7 | 63.4 | -152.5 | -140.9 | 0 | 0 | 0 | 108.3 | |||||
| 467 | T | 29.2 | Very low | 29.5 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 66% | 0.656 | 81% | 0.805 | S | S | * | * | cis | -148.1 | -132.2 | 24.4 | -47.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 468 | K | 30.9 | Very low | 29.4 | Very low | 170 Ų | 170 | 141.2 Ų | 141.2 | 74% | 0.739 | 81% | 0.807 | S | S | * | * | trans | -163.5 | 164.6 | -176.6 | -67.8 | -179.5 | 179.2 | 174.5 | 0 | 109.6 | ||||
| 469 | T | 30.8 | Very low | 29.5 | Very low | 140 Ų | 140 | 148.6 Ų | 148.6 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | 158.4 | 167 | 123.1 | 42.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 470 | R | 28 | Very low | 30.7 | Very low | 235 Ų | 235 | 146.5 Ų | 146.5 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | cis | -176.4 | 158.5 | -39.3 | -175.3 | 175.4 | -175.8 | -171.5 | 2.7 | 107.2 | ||||
| 471 | A | 25.6 | Very low | 30.8 | Very low | 85 Ų | 85 | 154.3 Ų | 154.3 | 70% | 0.702 | 81% | 0.812 | S | S | * | * | trans | -133.8 | 160.1 | 171 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 472 | P | 37.3 | Very low | 31 | Very low | 132 Ų | 132 | 158.3 Ų | 158.3 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -112.2 | -177.6 | -168.3 | 42.5 | -34.6 | 0 | 0 | 0 | 115.5 | ||||
| 473 | A | 27.9 | Very low | 31 | Very low | 95 Ų | 95 | 150.4 Ų | 150.4 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -150.4 | 158.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 474 | I | 28.9 | Very low | 29.7 | Very low | 175 Ų | 175 | 154.4 Ų | 154.4 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | trans | -133.8 | -171 | 175.8 | -36.8 | -173.1 | 0 | 0 | 0 | 108.2 | ||||
| 475 | S | 24.3 | Very low | 29.1 | Very low | 114 Ų | 114 | 155.4 Ų | 155.4 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | -156.3 | 172.9 | -167.3 | -166.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 476 | S | 26.9 | Very low | 29 | Very low | 115 Ų | 115 | 152 Ų | 152 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -137.4 | 157.8 | 168.1 | 64.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 477 | Q | 25.9 | Very low | 28.8 | Very low | 185 Ų | 185 | 149.4 Ų | 149.4 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -138.1 | 169.2 | -168.1 | -56.5 | 177.6 | -5.5 | 0 | 0 | 111.5 | ||||
| 478 | M | 24.7 | Very low | 28.6 | Very low | 182 Ų | 182 | 149.8 Ų | 149.8 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | trans | -164.6 | 171.9 | 140 | -90.3 | -119.4 | 75.6 | 0 | 0 | 111.5 | ||||
| 479 | R | 27 | Very low | 28.2 | Very low | 237 Ų | 237 | 146.5 Ų | 146.5 | 89% | 0.894 | 83% | 0.828 | S | S | * | * | trans | -140.5 | 164.2 | -174.7 | -98 | -174.2 | 172.4 | -166.5 | -2.1 | 112.4 | ||||
| 480 | P | 48.4 | Very low | 28 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 81% | 0.805 | 83% | 0.825 | S | S | * | * | trans | -104.3 | 174.4 | -166.5 | 40.7 | -37.4 | 0 | 0 | 0 | 116.3 | ||||
| 481 | R | 27.5 | Very low | 28.6 | Very low | 235 Ų | 235 | 138.7 Ų | 138.7 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | trans | -160.6 | 121.1 | 166.7 | -129.7 | 177.1 | -176.5 | -177.1 | -0.2 | 117.3 | ||||
| 482 | N | 28.9 | Very low | 28.5 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 88% | 0.882 | 82% | 0.823 | S | S | * | * | trans | 31.2 | 145.1 | 143 | -54 | 17.7 | 0 | 0 | 0 | 125.8 | ||||
| 483 | G | 25.3 | Very low | 28 | Very low | 79 Ų | 79 | 145.1 Ų | 145.1 | 81% | 0.814 | 82% | 0.822 | S | S | * | * | trans | -163.9 | 161.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 484 | H | 28.3 | Very low | 27.8 | Very low | 177 Ų | 177 | 147.3 Ų | 147.3 | 82% | 0.819 | 83% | 0.826 | S | S | * | * | trans | -153.9 | 171 | -164.2 | -168.3 | -97.8 | 0 | 0 | 0 | 115.9 | ||||
| 485 | L | 25.8 | Very low | 27.6 | Very low | 146 Ų | 146 | 147.7 Ų | 147.7 | 76% | 0.764 | 82% | 0.824 | S | S | * | * | trans | 91.8 | 148.4 | 171 | -56.6 | 167.6 | 0 | 0 | 0 | 117.7 | ||||
| 486 | S | 26.6 | Very low | 27.6 | Very low | 102 Ų | 102 | 146.8 Ų | 146.8 | 71% | 0.713 | 82% | 0.823 | S | S | * | * | cis | -169.8 | 154.9 | -32.8 | 49.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 487 | V | 26.2 | Very low | 27.8 | Very low | 137 Ų | 137 | 147.5 Ų | 147.5 | 83% | 0.83 | 83% | 0.826 | S | S | * | * | trans | -45.7 | 159.6 | -176.3 | -67.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 488 | S | 25.6 | Very low | 27.8 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 81% | 0.811 | 83% | 0.825 | S | S | * | * | cis | -135.8 | -149.3 | 34.1 | -58.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 489 | A | 23.1 | Very low | 27.9 | Very low | 100 Ų | 100 | 143.1 Ų | 143.1 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | cis | -160.5 | -169.9 | 13.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 490 | A | 26.4 | Very low | 28 | Very low | 95 Ų | 95 | 137.1 Ų | 137.1 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | -150.3 | 172.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 491 | P | 40.8 | Very low | 26.9 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | cis | -124.2 | -171.6 | 6.2 | 42.9 | -25.7 | 0 | 0 | 0 | 113.9 | ||||
| 492 | T | 22.3 | Very low | 27 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | -177.3 | 154.2 | 92 | -59.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 493 | W | 26.6 | Very low | 27.1 | Very low | 225 Ų | 225 | 139.9 Ų | 139.9 | 85% | 0.852 | 82% | 0.815 | S | S | * | * | trans | -97.2 | 143.9 | 178.2 | -73.3 | 73.3 | 0 | 0 | 0 | 113.6 | ||||
| 494 | T | 24.9 | Very low | 27.3 | Very low | 141 Ų | 141 | 144.9 Ų | 144.9 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | trans | -148.5 | 127.5 | 156.4 | 46.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 495 | E | 24.9 | Very low | 27.5 | Very low | 182 Ų | 182 | 139.8 Ų | 139.8 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | -89.4 | 152.3 | 178.5 | -63.9 | -178.6 | 116.2 | 0 | 0 | 112.7 | ||||
| 496 | A | 23.5 | Very low | 28 | Very low | 95 Ų | 95 | 137.3 Ų | 137.3 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -145.7 | 150 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 497 | P | 30.6 | Very low | 28.2 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 149.1 | -156.4 | 29.7 | -36.5 | 0 | 0 | 0 | 115.3 | ||
| 498 | A | 25.5 | Very low | 28.5 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 138 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 499 | Q | 26.9 | Very low | 29.1 | Very low | 171 Ų | 171 | 131.4 Ų | 131.4 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 146.4 | 168.8 | -75.5 | -78.3 | -20.9 | 0 | 0 | 110.9 | V501 | Q499-V501 PolarHBondContact O-N 3.5Š|
| 500 | P | 29.3 | Very low | 29.9 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 118.1 | 179.4 | 28.9 | -33.6 | 0 | 0 | 0 | 111.8 | R502 | P500-R502 PolarHBondContact O-N 3.33Š|
| 501 | V | 26.1 | Very low | 30.2 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 83% | 0.83 | 71% | 0.712 | S | S | * | * | trans | -67.8 | 114.4 | 177.5 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | Q499 | Q499-V501 PolarHBondContact O-N 3.5Š| ||
| 502 | R | 29.1 | Very low | 29.7 | Very low | 237 Ų | 237 | 129.9 Ų | 129.9 | 89% | 0.894 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 130.4 | 171.5 | -64.8 | -178.2 | 178.5 | -174.3 | -1.4 | 109.7 | P500 | P500-R502 PolarHBondContact O-N 3.33Š|
| 503 | K | 30.5 | Very low | 30 | Very low | 207 Ų | 207 | 134.3 Ų | 134.3 | 90% | 0.9 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 130.3 | 173.5 | -64.9 | 178.6 | -179.2 | 176.3 | 0 | 109.6 | ||
| 504 | M | 29.5 | Very low | 30.2 | Very low | 184 Ų | 184 | 129 Ų | 129 | 91% | 0.906 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 136.1 | 166.1 | -69.5 | 172 | 64.8 | 0 | 0 | 109.6 | ||
| 505 | G | 32.9 | Very low | 30.4 | Very low | 71 Ų | 71 | 127.1 Ų | 127.1 | 73% | 0.732 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 155.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 506 | V | 36.8 | Very low | 30.8 | Very low | 94 Ų | 94 | 121.5 Ų | 121.5 | 57% | 0.57 | 67% | 0.67 | S | S | * | * | trans | -107.4 | 64.9 | 179.5 | -169.8 | 0 | 0 | 0 | 0 | 109.5 | L509 | V506-L509 HydrophobicContact CG1-CB 4.47Å; V506-L509 HydrophobicContact CG1-CD1 3.75Å; V506-L509 HydrophobicContact CG1-CG 4.04Å | ||
| 507 | A | 30.8 | Very low | 31.2 | Very low | 9 Ų | 9 | 119 Ų | 119 | 7% | 0.074 | 65% | 0.646 | C | S | . | * | trans | -74.1 | -38.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L509 L510 F511 D1045 Y1084 | A507-L509 PolarHBondContact O-N 2.99Å; A507-L510 PolarHBondContact O-N 3.25Å; A507-F511 HydrophobicContact CB-CE2 4.28Å; A507-F511 WeakPolarHBondContact O-CD2 3.45Å; A507-F511 WeakPolarHBondContact O-CE2 3.44Å; A507-D1045 HydrophobicContact CB-CB 4.26Å; A507-D1045 VanDerWaalsContact CB-OD2 3.3Å; A507-D1045 WeakPolarHBondContact CB-OD2 3.32Å; A507-Y1084 HydrophobicContact CB-CD1 3.7Å; A507-Y1084 HydrophobicContact CB-CE1 3.76Å | ||
| 508 | S | 33.3 | Very low | 31.6 | Very low | 83 Ų | 83 | 116.3 Ų | 116.3 | 58% | 0.58 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -1.2 | -169.1 | 58.1 | 0 | 0 | 0 | 0 | 116.7 | D1045 | S508-D1045 WeakPolarHBondContact CA-OD2 3.31Å; S508-D1045 WeakPolarHBondContact CB-OD2 3.24Å; S508-D1045 PolarHBondContact N-OD2 2.66Å |
| 509 | L | 37.6 | Very low | 32.3 | Very low | 138 Ų | 138 | 115.2 Ų | 115.2 | 72% | 0.723 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -5.6 | 173.7 | -66.2 | -179 | 0 | 0 | 0 | 113.9 | V506 A507 | V506-L509 HydrophobicContact CG1-CB 4.47Å; V506-L509 HydrophobicContact CG1-CD1 3.75Å; V506-L509 HydrophobicContact CG1-CG 4.04Å; A507-L509 PolarHBondContact O-N 2.99Å |
| 510 | L | 38.9 | Very low | 32.8 | Very low | 74 Ų | 74 | 109.8 Ų | 109.8 | 39% | 0.387 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -101.5 | -13.6 | -173.6 | -67.9 | 167.5 | 0 | 0 | 0 | 114.5 | A507 H512 D1080 Y1084 | A507-L510 PolarHBondContact O-N 3.25Å; L510-H512 VanDerWaalsContact C-N 3.3Å; L510-H512 PolarHBondContact O-N 3.41Å; L510-D1080 WeakPolarHBondContact CD1-OD2 3.49Å; L510-Y1084 WeakPolarHBondContact CD1-OH 3.49Å |
| 511 | F | 34.3 | Very low | 33.1 | Very low | 53 Ų | 53 | 106.7 Ų | 106.7 | 23% | 0.232 | 56% | 0.557 | C | S | . | * | trans | -79.2 | -0.4 | -172.4 | -71.9 | -81.9 | 0 | 0 | 0 | 115.8 | A507 R513 F1043 S1047 W1078 | A507-F511 HydrophobicContact CB-CE2 4.28Å; A507-F511 WeakPolarHBondContact O-CD2 3.45Å; A507-F511 WeakPolarHBondContact O-CE2 3.44Å; F511-R513 PolarHBondContact O-N 3.22Å; F511-F1043 AromaticContact CE1-CD2 3.93Å; F511-F1043 HydrophobicContact CE1-CD2 3.93Å; F511-F1043 AromaticContact CE1-CE2 3.74Å; F511-F1043 HydrophobicContact CE1-CE2 3.74Å; F511-F1043 HydrophobicContact CE1-CZ 4.48Å; F511-F1043 AromaticContact CZ-CD2 3.57Å; F511-F1043 HydrophobicContact CZ-CD2 3.57Å; F511-F1043 AromaticContact CZ-CE2 3.64Å; F511-F1043 HydrophobicContact CZ-CE2 3.64Å; F511-F1043 HydrophobicContact CZ-CG 4.06Å; F511-F1043 HydrophobicContact CZ-CZ 4.17Å; F511-S1047 WeakPolarHBondContact CE2-OG 3.38Å; F511-S1047 WeakPolarHBondContact CZ-OG 3.47Å; F511-W1078 HydrophobicContact CD1-CZ2 4.44Å; F511-W1078 AromaticContact CE1-CH2 3.99Å; F511-W1078 HydrophobicContact CE1-CH2 3.99Å; F511-W1078 AromaticContact CE1-CZ2 3.89Å; F511-W1078 HydrophobicContact CE1-CZ2 3.89Å | ||
| 512 | H | 30.3 | Very low | 33.7 | Very low | 153 Ų | 153 | 103.8 Ų | 103.8 | 71% | 0.708 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -83.6 | 40.4 | 176 | -79.7 | -53.1 | 0 | 0 | 0 | 115 | L510 | L510-H512 VanDerWaalsContact C-N 3.3Å; L510-H512 PolarHBondContact O-N 3.41Å |
| 513 | R | 28.7 | Very low | 33.9 | Very low | 220 Ų | 220 | 97.2 Ų | 97.2 | 83% | 0.83 | 52% | 0.522 | S | S | * | . | trans | -173.4 | 105.5 | 141 | -109 | 172.4 | 176.7 | -175.2 | -2.2 | 110.2 | F511 L515 | F511-R513 PolarHBondContact O-N 3.22Å; R513-L515 PolarHBondContact O-N 3.47Å | ||
| 514 | T | 29.9 | Very low | 33.9 | Very low | 113 Ų | 113 | 93.4 Ų | 93.4 | 69% | 0.693 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 124.8 | 146.2 | 39.9 | 0 | 0 | 0 | 0 | 107.6 | ||
| 515 | L | 30.2 | Very low | 33.9 | Very low | 102 Ų | 102 | 88.5 Ų | 88.5 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 138.6 | 168.8 | -70.8 | 173.2 | 0 | 0 | 0 | 108 | R513 D519 | R513-L515 PolarHBondContact O-N 3.47Å; L515-D519 HydrophobicContact CB-CB 4.4Å; L515-D519 HydrophobicContact CD2-CB 4.23Å |
| 516 | S | 31.6 | Very low | 33.7 | Very low | 65 Ų | 65 | 94.7 Ų | 94.7 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 147.4 | 167.9 | -173.2 | 0 | 0 | 0 | 0 | 108.4 | K518 D519 | S516-K518 PolarHBondContact O-N 2.73Å; S516-D519 PolarHBondContact O-N 3.11Å |
| 517 | S | 33.6 | Very low | 33.3 | Very low | 42 Ų | 42 | 95.3 Ų | 95.3 | 29% | 0.294 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | -9 | 179.3 | -39.9 | 0 | 0 | 0 | 0 | 116.1 | ||
| 518 | K | 39 | Very low | 33.1 | Very low | 74 Ų | 74 | 100.3 Ų | 100.3 | 32% | 0.322 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -16.6 | -178.1 | -65.3 | 167.4 | 178.8 | 61.2 | 0 | 114.2 | S516 K1019 D1113 | S516-K518 PolarHBondContact O-N 2.73Å; K518-K1019 HydrophobicContact CD-CD 4.44Å; K518-D1113 WeakPolarHBondContact CE-OD1 3.36Å; K518-D1113 WeakPolarHBondContact CE-OD2 3.31Å; K518-D1113 IonicContact NZ-OD1 2.73Å; K518-D1113 PolarHBondContact NZ-OD1 3.03Å; K518-D1113 IonicContact NZ-OD2 2.69Å; K518-D1113 PolarHBondContact NZ-OD2 3.37Å |
| 519 | D | 38.6 | Very low | 32.9 | Very low | 81 Ų | 81 | 104.6 Ų | 104.6 | 43% | 0.433 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -28.5 | -175.3 | -62 | -28.5 | 0 | 0 | 0 | 112.5 | L515 S516 L521 L522 | L515-D519 HydrophobicContact CB-CB 4.4Å; L515-D519 HydrophobicContact CD2-CB 4.23Å; S516-D519 PolarHBondContact O-N 3.11Å; D519-L521 PolarHBondContact O-N 3.03Å; D519-L522 PolarHBondContact O-N 3.03Å |
| 520 | T | 37.5 | Very low | 32.4 | Very low | 57 Ų | 57 | 107.5 Ų | 107.5 | 35% | 0.35 | 55% | 0.55 | S | S | . | . | G | 310 helix | trans | -61.1 | -38.2 | -177.3 | -38.2 | 0 | 0 | 0 | 0 | 113.5 | L522 V523 F1053 | T520-L522 VanDerWaalsContact C-N 3.3Å; T520-L522 PolarHBondContact O-N 3.25Å; T520-V523 PolarHBondContact O-N 3.3Å; T520-F1053 HydrophobicContact CG2-CE2 4.05Å |
| 521 | L | 36.8 | Very low | 31.8 | Very low | 47 Ų | 47 | 113.5 Ų | 113.5 | 25% | 0.246 | 58% | 0.576 | C | S | . | * | G | 310 helix | trans | -84.1 | 2.4 | -171.9 | -67.1 | 166.3 | 0 | 0 | 0 | 114.4 | D519 M1096 T1108 | D519-L521 PolarHBondContact O-N 3.03Å; L521-M1096 HydrophobicContact CD1-CE 3.97Å; L521-T1108 WeakPolarHBondContact CD1-O 3.44Å |
| 522 | L | 38.8 | Very low | 31.5 | Very low | 76 Ų | 76 | 120.2 Ų | 120.2 | 40% | 0.398 | 61% | 0.608 | S | S | . | * | G | 310 helix | trans | -89.4 | -6.5 | 172.1 | -86.7 | 161.5 | 0 | 0 | 0 | 113.5 | D519 T520 K1021 | D519-L522 PolarHBondContact O-N 3.03Å; T520-L522 VanDerWaalsContact C-N 3.3Å; T520-L522 PolarHBondContact O-N 3.25Å; L522-K1021 HydrophobicContact CD2-CD 4.1Å; L522-K1021 HydrophobicContact CD2-CG 4.38Å |
| 523 | V | 32.6 | Very low | 31.4 | Very low | 98 Ų | 98 | 120 Ų | 120 | 59% | 0.594 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -85.1 | -39.2 | -173.6 | -176.2 | 0 | 0 | 0 | 0 | 112.5 | T520 S525 | T520-V523 PolarHBondContact O-N 3.3Å; V523-S525 VanDerWaalsContact C-N 3.33Å; V523-S525 PolarHBondContact O-N 3.13Å |
| 524 | Q | 30.7 | Very low | 31.2 | Very low | 128 Ų | 128 | 118.4 Ų | 118.4 | 60% | 0.598 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -73.8 | -14.8 | -171.7 | -72.5 | 177 | -25.4 | 0 | 0 | 114.9 | Y526 T527 | Q524-Y526 PolarHBondContact O-N 2.85Å; Q524-T527 PolarHBondContact O-OG1 3.34Å |
| 525 | S | 28.2 | Very low | 31.2 | Very low | 80 Ų | 80 | 122.3 Ų | 122.3 | 56% | 0.559 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -81.8 | 8 | -180 | 74 | 0 | 0 | 0 | 0 | 114.8 | V523 | V523-S525 VanDerWaalsContact C-N 3.33Å; V523-S525 PolarHBondContact O-N 3.13Å |
| 526 | Y | 29.9 | Very low | 31 | Very low | 201 Ų | 201 | 127.2 Ų | 127.2 | 79% | 0.788 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -122.6 | -0.4 | -178 | -78.3 | -78.8 | 0 | 0 | 0 | 114.3 | Q524 | Q524-Y526 PolarHBondContact O-N 2.85Š|
| 527 | T | 27.8 | Very low | 30.7 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 66% | 0.656 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -96.8 | -8.3 | -170.3 | 41 | 0 | 0 | 0 | 0 | 115.5 | Q524 | Q524-T527 PolarHBondContact O-OG1 3.34Š|
| 528 | S | 27.9 | Very low | 30.2 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 80% | 0.797 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -91.7 | -3.9 | -171.9 | -56.6 | 0 | 0 | 0 | 0 | 116.1 | ||
| 529 | E | 28.8 | Very low | 29.5 | Very low | 174 Ų | 174 | 140 Ų | 140 | 81% | 0.813 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -124.9 | 71.7 | 177.4 | -72.5 | -157.9 | 159.9 | 0 | 0 | 113.7 | ||
| 530 | K | 27.2 | Very low | 28.9 | Very low | 198 Ų | 198 | 144.5 Ų | 144.5 | 86% | 0.861 | 72% | 0.717 | S | S | * | * | 164.1 | 91.7 | 128.9 | -88.6 | 156.4 | -175 | 168.2 | 0 | 112.1 | |||||
| 531 | Q | 26.4 | Very low | 28.5 | Very low | 201 Ų | 201 | 146.2 Ų | 146.2 | 94% | 0.939 | 72% | 0.721 | S | S | * | * | trans | -90.8 | 109.6 | 150.7 | -77.3 | -174 | -18.3 | 0 | 0 | 109 | ||||
| 532 | Q | 27 | Very low | 28 | Very low | 193 Ų | 193 | 147.6 Ų | 147.6 | 90% | 0.902 | 74% | 0.735 | S | S | * | * | trans | -158.4 | 136.3 | 153.5 | -114.8 | 174.6 | 3.5 | 0 | 0 | 108.2 | ||||
| 533 | D | 27.7 | Very low | 27.5 | Very low | 149 Ų | 149 | 152.1 Ų | 152.1 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | trans | -70.2 | 142.6 | -161.3 | -78.4 | -70 | 0 | 0 | 0 | 115.7 | ||||
| 534 | H | 24.2 | Very low | 27.2 | Very low | 186 Ų | 186 | 151 Ų | 151 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | -164.3 | 128.2 | 118 | -96.9 | -58.5 | 0 | 0 | 0 | 111 | K536 | H534-K536 PolarHBondContact O-N 2.82Š| |||
| 535 | H | 31.2 | Very low | 27.1 | Very low | 195 Ų | 195 | 150.8 Ų | 150.8 | 90% | 0.903 | 75% | 0.746 | S | S | * | * | trans | -50.9 | 119.1 | 174.6 | -85.6 | -57.3 | 0 | 0 | 0 | 113.2 | ||||
| 536 | K | 26.1 | Very low | 27 | Very low | 206 Ų | 206 | 156 Ų | 156 | 90% | 0.896 | 76% | 0.761 | S | S | * | * | trans | -140.8 | 142.5 | 149.4 | -71 | -163 | 177.5 | 179.3 | 0 | 112 | H534 | H534-K536 PolarHBondContact O-N 2.82Š| ||
| 537 | Q | 25.2 | Very low | 26.9 | Very low | 162 Ų | 162 | 154.8 Ų | 154.8 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | trans | -84.3 | 127.2 | -173.6 | -176.1 | -177.3 | 24.2 | 0 | 0 | 111.1 | Q539 | Q537-Q539 HydrophobicContact CG-CG 4.48Å; Q537-Q539 PolarHBondContact O-N 2.92Å | ||
| 538 | L | 22.9 | Very low | 26.8 | Very low | 177 Ų | 177 | 158 Ų | 158 | 93% | 0.927 | 77% | 0.77 | S | S | * | * | trans | -78.9 | 113.2 | 171.1 | -81.6 | 165.8 | 0 | 0 | 0 | 110.1 | ||||
| 539 | Q | 24.5 | Very low | 26.6 | Very low | 109 Ų | 109 | 158.7 Ų | 158.7 | 51% | 0.509 | 77% | 0.772 | S | S | . | * | trans | -105.9 | 125.9 | 168.8 | -66.7 | -177.4 | -2.6 | 0 | 0 | 109.5 | Q537 H541 | Q537-Q539 HydrophobicContact CG-CG 4.48Å; Q537-Q539 PolarHBondContact O-N 2.92Å; Q539-H541 PolarHBondContact OE1-CD2 3.07Å; Q539-H541 PolarHBondContact OE1-NE2 2.93Å | ||
| 540 | I | 26.2 | Very low | 26.4 | Very low | 176 Ų | 176 | 162.1 Ų | 162.1 | 90% | 0.903 | 78% | 0.777 | S | S | * | * | trans | -92.5 | 114.3 | 163.3 | -59.7 | 175.3 | 0 | 0 | 0 | 106.5 | ||||
| 541 | H | 27.8 | Very low | 26.4 | Very low | 93 Ų | 93 | 164.3 Ų | 164.3 | 43% | 0.431 | 78% | 0.78 | S | S | . | * | trans | -127.9 | 130.8 | 178.6 | -90.3 | -61.3 | 0 | 0 | 0 | 111.7 | Q539 K545 | Q539-H541 PolarHBondContact OE1-CD2 3.07Å; Q539-H541 PolarHBondContact OE1-NE2 2.93Å; H541-K545 PolarHBondContact CD2-NZ 3.38Å; H541-K545 WeakPolarHBondContact CE1-CE 3.47Å; H541-K545 VanDerWaalsContact NE2-CE 3.25Å; H541-K545 WeakPolarHBondContact NE2-CE 3.25Å; H541-K545 PolarHBondContact NE2-NZ 2.87Å | ||
| 542 | S | 26.4 | Very low | 26.3 | Very low | 77 Ų | 77 | 163.1 Ų | 163.1 | 54% | 0.538 | 78% | 0.78 | S | S | . | * | trans | -65.3 | 142.8 | 156.7 | 48.9 | 0 | 0 | 0 | 0 | 110.5 | A544 | S542-A544 PolarHBondContact O-N 3.24Š| ||
| 543 | Y | 29.5 | Very low | 26.2 | Very low | 171 Ų | 171 | 163.2 Ų | 163.2 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -80.7 | 86.1 | -177.9 | -72.2 | -85.9 | 0 | 0 | 0 | 112.5 | A70 Q89 | A70-Y543 HydrophobicContact CB-CE2 4.17Å; Q89-Y543 PolarHBondContact NE2-OH 3.25Å |
| 544 | A | 26.4 | Very low | 25.9 | Very low | 75 Ų | 75 | 160.6 Ų | 160.6 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | trans | -162 | 119.7 | 148.6 | 0 | 0 | 0 | 0 | 0 | 107 | S542 | S542-A544 PolarHBondContact O-N 3.24Š| ||
| 545 | K | 27.9 | Very low | 26 | Very low | 123 Ų | 123 | 161.3 Ų | 161.3 | 54% | 0.535 | 77% | 0.774 | S | S | . | * | trans | -133.6 | 110.4 | 179.5 | -100.7 | -170.9 | 178.2 | 177.9 | 0 | 111.7 | H541 | H541-K545 PolarHBondContact CD2-NZ 3.38Å; H541-K545 WeakPolarHBondContact CE1-CE 3.47Å; H541-K545 VanDerWaalsContact NE2-CE 3.25Å; H541-K545 WeakPolarHBondContact NE2-CE 3.25Å; H541-K545 PolarHBondContact NE2-NZ 2.87Å | ||
| 546 | E | 25.7 | Very low | 25.6 | Very low | 190 Ų | 190 | 157 Ų | 157 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | -61.8 | 137.3 | 164.2 | -61.3 | 176.9 | 124.1 | 0 | 0 | 110.5 | ||||
| 547 | Q | 28.6 | Very low | 25.4 | Very low | 174 Ų | 174 | 152.4 Ų | 152.4 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | -125.5 | 117.4 | 166.2 | -77.1 | -83 | 2.8 | 0 | 0 | 107.2 | ||||
| 548 | Q | 24.8 | Very low | 25.3 | Very low | 175 Ų | 175 | 151.7 Ų | 151.7 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 145.6 | 178.8 | -76.6 | -167.3 | -5.2 | 0 | 0 | 111.9 | ||
| 549 | P | 24.5 | Very low | 25.3 | Very low | 128 Ų | 128 | 150.3 Ų | 150.3 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 133.3 | -162.5 | 29.5 | -36.1 | 0 | 0 | 0 | 113.6 | ||
| 550 | R | 25.3 | Very low | 25.2 | Very low | 246 Ų | 246 | 151.1 Ų | 151.1 | 93% | 0.928 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 126 | 158.8 | -80.6 | -171.9 | 170.9 | -172.1 | -2.3 | 110 | ||
| 551 | R | 26.6 | Very low | 25.2 | Very low | 245 Ų | 245 | 153.5 Ų | 153.5 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 139.9 | 171.4 | -62.2 | 177.9 | 176.1 | -165.4 | -2.2 | 110.5 | ||
| 552 | L | 24.3 | Very low | 25.1 | Very low | 176 Ų | 176 | 154.7 Ų | 154.7 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -135.7 | 146.4 | 155 | -103.1 | 166.2 | 0 | 0 | 0 | 109.5 | ||||
| 553 | Q | 25.2 | Very low | 25 | Very low | 195 Ų | 195 | 160.2 Ų | 160.2 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | trans | -92.6 | 160.6 | -172.9 | -70.5 | 170 | -54.5 | 0 | 0 | 111.8 | ||||
| 554 | S | 21.8 | Very low | 24.8 | Very low | 94 Ų | 94 | 156.2 Ų | 156.2 | 66% | 0.657 | 81% | 0.807 | S | S | * | * | trans | -91.7 | 152.3 | -170.9 | 67.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 555 | K | 24.4 | Very low | 24.7 | Very low | 201 Ų | 201 | 160.3 Ų | 160.3 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | 76.8 | 153.2 | 165.9 | -50.5 | 170.3 | -173.8 | 179 | 0 | 113.8 | ||||
| 556 | A | 22.8 | Very low | 25.7 | Very low | 104 Ų | 104 | 159.4 Ų | 159.4 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | cis | -139.2 | 178.5 | 12.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 557 | C | 22.5 | Very low | 25.6 | Very low | 110 Ų | 110 | 158.8 Ų | 158.8 | 74% | 0.743 | 82% | 0.824 | S | S | * | * | trans | -94.4 | 147.3 | -177.5 | 171.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 558 | T | 22.9 | Very low | 25.5 | Very low | 146 Ų | 146 | 154.2 Ų | 154.2 | 90% | 0.896 | 82% | 0.816 | S | S | * | * | trans | -162.8 | 170.5 | 141 | 0.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 559 | L | 24.3 | Very low | 25.5 | Very low | 149 Ų | 149 | 154.5 Ų | 154.5 | 78% | 0.78 | 82% | 0.822 | S | S | * | * | trans | -105.3 | 166.3 | -166.7 | -83.3 | 138.3 | 0 | 0 | 0 | 114.8 | ||||
| 560 | T | 22.2 | Very low | 25.5 | Very low | 126 Ų | 126 | 151.4 Ų | 151.4 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | 77.7 | 123 | 147.4 | 32.2 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 561 | R | 25.2 | Very low | 25.6 | Very low | 226 Ų | 226 | 148.3 Ų | 148.3 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | 80.2 | 101 | 125.1 | -164.5 | 176.2 | -174.2 | 165.9 | 2.3 | 121.1 | |||||
| 562 | V | 25.9 | Very low | 25.6 | Very low | 118 Ų | 118 | 143.9 Ų | 143.9 | 72% | 0.715 | 80% | 0.799 | S | S | * | * | 31.4 | 116.9 | 124.5 | -176.5 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 563 | Q | 24.8 | Very low | 25.8 | Very low | 192 Ų | 192 | 142.8 Ų | 142.8 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | -172.1 | -161.7 | 100 | -140.1 | 141.5 | 13.6 | 0 | 0 | 112.9 | |||||
| 564 | A | 25.3 | Very low | 25.8 | Very low | 87 Ų | 87 | 137.5 Ų | 137.5 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | trans | -106.8 | -178.6 | -149.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 565 | L | 24.3 | Very low | 26 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -44.1 | 175 | 169.8 | -72.1 | 90.7 | 0 | 0 | 0 | 116.9 | ||||
| 566 | P | 47.6 | Very low | 26 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | cis | -143.5 | 178.2 | -40 | 40.9 | -23.5 | 0 | 0 | 0 | 115.4 | ||||
| 567 | M | 25.3 | Very low | 26.2 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | 51.4 | 124.6 | 144 | -81.2 | -174.7 | 69.3 | 0 | 0 | 124.6 | ||||
| 568 | A | 26.2 | Very low | 26.5 | Very low | 78 Ų | 78 | 143.5 Ų | 143.5 | 65% | 0.645 | 79% | 0.79 | S | S | * | * | 107.5 | 138.2 | 121 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 569 | L | 24.8 | Very low | 26.5 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 95% | 0.948 | 78% | 0.78 | S | S | * | * | trans | 62 | 148.9 | 165.7 | -86.5 | 71 | 0 | 0 | 0 | 118.7 | ||||
| 570 | G | 24.6 | Very low | 26.5 | Very low | 62 Ų | 62 | 137.3 Ų | 137.3 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | cis | -175 | -160.3 | -0.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 571 | Q | 25.8 | Very low | 26.7 | Very low | 181 Ų | 181 | 136.5 Ų | 136.5 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | 70.8 | 143.5 | 176.6 | -69.1 | 178 | -90.2 | 0 | 0 | 116.6 | ||||
| 572 | E | 26.9 | Very low | 26.6 | Very low | 153 Ų | 153 | 131.3 Ų | 131.3 | 72% | 0.715 | 77% | 0.774 | S | S | * | * | cis | -161.3 | -174 | -13.5 | -131.7 | 176.5 | 131.8 | 0 | 0 | 112.9 | ||||
| 573 | L | 28.9 | Very low | 26.4 | Very low | 153 Ų | 153 | 132.6 Ų | 132.6 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | trans | 75.8 | 94.8 | 162.4 | -72.7 | 160.2 | 0 | 0 | 0 | 120.5 | ||||
| 574 | A | 25.8 | Very low | 26.2 | Very low | 83 Ų | 83 | 131.2 Ų | 131.2 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | 62 | 143.5 | 117.2 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 575 | Q | 25.8 | Very low | 26.3 | Very low | 183 Ų | 183 | 132.9 Ų | 132.9 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | cis | -173.5 | 129 | -30.8 | -127 | 176.8 | 18.6 | 0 | 0 | 108.6 | ||||
| 576 | L | 25.3 | Very low | 26.4 | Very low | 174 Ų | 174 | 132.2 Ų | 132.2 | 91% | 0.911 | 76% | 0.758 | S | S | * | * | trans | -172.5 | 147.7 | 149 | -106.2 | 161.5 | 0 | 0 | 0 | 110.3 | ||||
| 577 | Q | 25.4 | Very low | 25.5 | Very low | 165 Ų | 165 | 132.8 Ų | 132.8 | 77% | 0.771 | 75% | 0.751 | S | S | * | * | trans | -108.1 | 170.7 | 174.1 | -74.5 | -73.8 | -24.5 | 0 | 0 | 108.1 | ||||
| 578 | P | 30.3 | Very low | 25.6 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | cis | -124.5 | -165.7 | 13 | 46.4 | -30.8 | 0 | 0 | 0 | 111.7 | ||||
| 579 | G | 21.7 | Very low | 25.7 | Very low | 68 Ų | 68 | 135 Ų | 135 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | cis | 101.3 | 75.4 | 5.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 580 | A | 24.1 | Very low | 25.8 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | trans | -151.5 | 109.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 581 | S | 26.6 | Very low | 26.2 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | trans | -82 | -164.7 | 135.3 | 53.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 582 | V | 23.6 | Very low | 26.4 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 71% | 0.709 | 73% | 0.728 | S | S | * | * | trans | 82.3 | 102.4 | -167.1 | -175.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 583 | L | 20.9 | Very low | 26.7 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | 80.6 | 147.7 | 69 | -77.4 | 164.1 | 0 | 0 | 0 | 113.3 | |||||
| 584 | Q | 22.3 | Very low | 26.7 | Very low | 163 Ų | 163 | 129.2 Ų | 129.2 | 76% | 0.762 | 72% | 0.721 | S | S | * | * | trans | 70.1 | 154.1 | 163 | -73.6 | 164.6 | -1.6 | 0 | 0 | 114.6 | ||||
| 585 | I | 25.8 | Very low | 27 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 63% | 0.631 | 72% | 0.722 | S | S | * | * | cis | -153.1 | 146 | 20 | -137.5 | 154.7 | 0 | 0 | 0 | 111.2 | ||||
| 586 | Q | 26.1 | Very low | 27.1 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 68% | 0.682 | 72% | 0.716 | S | S | * | * | trans | 55.7 | 146.9 | 154.1 | -65 | 167.3 | -104.8 | 0 | 0 | 120.2 | ||||
| 587 | E | 29 | Very low | 27 | Very low | 116 Ų | 116 | 129 Ų | 129 | 54% | 0.542 | 71% | 0.705 | S | S | . | * | cis | -163.8 | 159.8 | -5 | -121.2 | 171.1 | 130.4 | 0 | 0 | 112 | ||||
| 588 | K | 27.9 | Very low | 27.1 | Very low | 159 Ų | 159 | 128.3 Ų | 128.3 | 69% | 0.691 | 70% | 0.702 | S | S | * | * | trans | 47.3 | 128 | 146.1 | -72.1 | 161.8 | 177.2 | 160.8 | 0 | 119 | ||||
| 589 | L | 27.8 | Very low | 27 | Very low | 145 Ų | 145 | 128.4 Ų | 128.4 | 76% | 0.759 | 70% | 0.696 | S | S | * | * | cis | -154.3 | 133.3 | 38.7 | -92.3 | 112.8 | 0 | 0 | 0 | 110.2 | ||||
| 590 | N | 28.5 | Very low | 27.3 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 59% | 0.588 | 70% | 0.695 | S | S | * | * | 75.4 | 137.7 | 98 | -66.3 | 45.4 | 0 | 0 | 0 | 115.4 | |||||
| 591 | E | 31.1 | Very low | 27.5 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | cis | -165.9 | 158.8 | -7.5 | -124.5 | 168.7 | 160.1 | 0 | 0 | 113.9 | ||||
| 592 | S | 31.6 | Very low | 27.8 | Very low | 100 Ų | 100 | 138.4 Ų | 138.4 | 70% | 0.699 | 70% | 0.701 | S | S | * | * | trans | 69.2 | 146.4 | 150.3 | 76.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 593 | Q | 32.6 | Very low | 28.7 | Very low | 174 Ų | 174 | 139.2 Ų | 139.2 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | cis | -167.5 | 167 | -9.1 | -114.4 | -171.3 | 94.4 | 0 | 0 | 107.5 | ||||
| 594 | A | 29.9 | Very low | 29.1 | Very low | 66 Ų | 66 | 139.5 Ų | 139.5 | 55% | 0.545 | 71% | 0.706 | S | S | . | * | cis | -161.3 | 166.1 | -3.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 595 | H | 30.7 | Very low | 29.2 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 70% | 0.704 | 70% | 0.702 | S | S | * | * | trans | 34.4 | 150.2 | 134.5 | -60.5 | -30.2 | 0 | 0 | 0 | 123.8 | ||||
| 596 | Q | 27.4 | Very low | 29.1 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 74% | 0.738 | 71% | 0.705 | S | S | * | * | cis | -168.6 | 178 | -1.5 | -106.8 | 162.1 | 38.6 | 0 | 0 | 107.8 | ||||
| 597 | N | 25 | Very low | 29.1 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 68% | 0.679 | 71% | 0.707 | S | S | * | * | cis | -177.1 | 164.1 | -47.2 | -167.4 | 9.7 | 0 | 0 | 0 | 108.4 | ||||
| 598 | Q | 27.5 | Very low | 28.8 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 70% | 0.696 | 72% | 0.717 | S | S | * | * | trans | 69.1 | 158.8 | 164.6 | -63.1 | -175 | 16.1 | 0 | 0 | 118.1 | ||||
| 599 | N | 27.1 | Very low | 28.7 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 62% | 0.62 | 72% | 0.716 | S | S | * | * | cis | -163.4 | 152.6 | -15.4 | -108.8 | -11.5 | 0 | 0 | 0 | 113.7 | ||||
| 600 | I | 28.2 | Very low | 28.5 | Very low | 133 Ų | 133 | 141.4 Ų | 141.4 | 68% | 0.682 | 72% | 0.716 | S | S | * | * | trans | 57.8 | 122.2 | 134.6 | -60.9 | 169.7 | 0 | 0 | 0 | 123 | ||||
| 601 | D | 28.4 | Very low | 28.3 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 84% | 0.84 | 73% | 0.726 | S | S | * | * | trans | 46.5 | 154.8 | 143.7 | -65.6 | -41.1 | 0 | 0 | 0 | 126.9 | ||||
| 602 | K | 32.8 | Very low | 28.9 | Very low | 195 Ų | 195 | 141.3 Ų | 141.3 | 85% | 0.848 | 73% | 0.727 | S | S | * | * | trans | -80.9 | 152.1 | 169.6 | -58.9 | 175.5 | 175 | 176.1 | 0 | 111.2 | ||||
| 603 | P | 41.8 | Very low | 28.8 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | -147.5 | -145.7 | 88.1 | 39.5 | -19.9 | 0 | 0 | 0 | 114.6 | |||||
| 604 | E | 29.2 | Very low | 28.5 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | trans | -99.7 | 169.8 | -162 | -49.4 | 176.8 | 103.6 | 0 | 0 | 117.4 | ||||
| 605 | K | 25.8 | Very low | 28.3 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 68% | 0.683 | 73% | 0.734 | S | S | * | * | trans | 101.2 | 113.6 | 133.4 | -93.2 | 159.3 | -173.7 | 149.5 | 0 | 123.1 | ||||
| 606 | T | 23.7 | Very low | 28.2 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 69% | 0.693 | 73% | 0.728 | S | S | * | * | trans | 72.3 | 118.5 | 135.5 | 43.3 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 607 | Q | 25.3 | Very low | 28.3 | Very low | 155 Ų | 155 | 145.4 Ų | 145.4 | 72% | 0.724 | 73% | 0.728 | S | S | * | * | 85.8 | 124.3 | 126.7 | -78.9 | -178 | -14.1 | 0 | 0 | 124.5 | |||||
| 608 | F | 23.6 | Very low | 28.7 | Very low | 173 Ų | 173 | 143.7 Ų | 143.7 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | trans | 66.8 | 156.8 | 145.4 | -67.4 | -52.8 | 0 | 0 | 0 | 118.7 | ||||
| 609 | I | 25.5 | Very low | 29 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 66% | 0.656 | 73% | 0.734 | S | S | * | * | cis | -157.8 | 159.6 | 7.6 | -135.1 | 163.9 | 0 | 0 | 0 | 113.6 | ||||
| 610 | Q | 22.8 | Very low | 29.2 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | trans | 64.5 | 116.2 | 157.5 | -72.7 | 162.4 | -1.3 | 0 | 0 | 124.9 | ||||
| 611 | D | 24.7 | Very low | 29.3 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | 23.8 | 158.4 | 112.4 | -90 | -55.2 | 0 | 0 | 0 | 122.8 | |||||
| 612 | P | 44 | Very low | 29.5 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 76% | 0.76 | 73% | 0.728 | S | S | * | * | cis | -149.3 | 155 | 37.8 | 41 | -20 | 0 | 0 | 0 | 122 | ||||
| 613 | A | 29.5 | Very low | 29.3 | Very low | 82 Ų | 82 | 142 Ų | 142 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | trans | 47.3 | 138.1 | 136.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 614 | R | 26.3 | Very low | 28.5 | Very low | 224 Ų | 224 | 140.6 Ų | 140.6 | 85% | 0.845 | 72% | 0.724 | S | S | * | * | -172.8 | 173.5 | 62.7 | -81.8 | -176.2 | 170.1 | -160.2 | -2.5 | 108.6 | |||||
| 615 | M | 25.2 | Very low | 28.4 | Very low | 138 Ų | 138 | 137.8 Ų | 137.8 | 68% | 0.68 | 73% | 0.726 | S | S | * | * | cis | -174.3 | 166.4 | -8.8 | -106.5 | 174.4 | 71.1 | 0 | 0 | 106.4 | ||||
| 616 | E | 28.7 | Very low | 29.4 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 57% | 0.57 | 73% | 0.732 | S | S | * | * | cis | -166.7 | 160 | -16.2 | -157.5 | -151.6 | 145.3 | 0 | 0 | 108.4 | ||||
| 617 | K | 30 | Very low | 30.6 | Very low | 169 Ų | 169 | 135.6 Ų | 135.6 | 74% | 0.735 | 73% | 0.73 | S | S | * | * | trans | 65.1 | 142.8 | 166.9 | -63.9 | 172.8 | 174.4 | 95.9 | 0 | 118.8 | ||||
| 618 | A | 33.7 | Very low | 30.7 | Very low | 91 Ų | 91 | 137.2 Ų | 137.2 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | cis | -172.1 | 163 | -18.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 619 | K | 32.4 | Very low | 30.8 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | cis | -130.5 | -129.5 | -2.5 | -145.4 | 174.9 | 174.5 | -109.9 | 0 | 108.9 | E621 | K619-E621 WeakPolarHBondContact CE-OE1 3.34Å; K619-E621 IonicContact NZ-OE1 3.77Å; K619-E621 PolarHBondContact NZ-OE1 2.75Å; K619-E621 IonicContact NZ-OE2 2.67Å; K619-E621 PolarHBondContact NZ-OE2 3.36Å | ||
| 620 | A | 32.8 | Very low | 30.8 | Very low | 88 Ų | 88 | 136.1 Ų | 136.1 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | cis | -147.6 | -166.4 | -0.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 621 | E | 30.2 | Very low | 30.9 | Very low | 137 Ų | 137 | 133.8 Ų | 133.8 | 64% | 0.64 | 74% | 0.741 | S | S | * | * | trans | -142.5 | 163.6 | -167.2 | -61.3 | 104 | -59.6 | 0 | 0 | 114 | K619 | K619-E621 WeakPolarHBondContact CE-OE1 3.34Å; K619-E621 IonicContact NZ-OE1 3.77Å; K619-E621 PolarHBondContact NZ-OE1 2.75Å; K619-E621 IonicContact NZ-OE2 2.67Å; K619-E621 PolarHBondContact NZ-OE2 3.36Å | ||
| 622 | A | 30.9 | Very low | 30.9 | Very low | 80 Ų | 80 | 134.6 Ų | 134.6 | 66% | 0.661 | 74% | 0.74 | S | S | * | * | cis | 178.4 | -179.7 | -29.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 623 | R | 29.2 | Very low | 30 | Very low | 240 Ų | 240 | 135 Ų | 135 | 91% | 0.906 | 74% | 0.735 | S | S | * | * | trans | 79.1 | 150.2 | 156.8 | -65 | 174.8 | -173.2 | -164.6 | 0.9 | 118.5 | ||||
| 624 | S | 24.8 | Very low | 29.8 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | cis | -174.7 | 148.1 | -14.1 | 51.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 625 | A | 26.6 | Very low | 29.8 | Very low | 90 Ų | 90 | 135.2 Ų | 135.2 | 74% | 0.744 | 73% | 0.729 | S | S | * | * | trans | 75.9 | 176 | 143 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 626 | P | 47.5 | Very low | 30 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 80% | 0.799 | 73% | 0.729 | S | S | * | * | -127.2 | -135.4 | -106.7 | 32.4 | -6.4 | 0 | 0 | 0 | 115.7 | |||||
| 627 | P | 48.8 | Very low | 29.7 | Very low | 102 Ų | 102 | 132.9 Ų | 132.9 | 66% | 0.662 | 73% | 0.728 | S | S | * | * | -123.9 | -178 | -102.9 | 42 | -25.8 | 0 | 0 | 0 | 116.7 | |||||
| 628 | Q | 26.8 | Very low | 29.7 | Very low | 189 Ų | 189 | 133.8 Ų | 133.8 | 88% | 0.883 | 73% | 0.732 | S | S | * | * | trans | 70 | 169.4 | 174.8 | -51.7 | 178.4 | -8.6 | 0 | 0 | 113.1 | ||||
| 629 | S | 26 | Very low | 29.3 | Very low | 108 Ų | 108 | 135 Ų | 135 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | cis | -149.8 | -168.9 | 10.1 | 60.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 630 | Q | 25.2 | Very low | 29 | Very low | 169 Ų | 169 | 135 Ų | 135 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | trans | -56.9 | 167.1 | 154.7 | -67.3 | 159.6 | -31.1 | 0 | 0 | 110.2 | ||||
| 631 | T | 25.2 | Very low | 28.7 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 72% | 0.718 | 72% | 0.724 | S | S | * | * | -168 | 169.7 | 53.5 | -45 | 0 | 0 | 0 | 0 | 112.2 | L633 | T631-L633 HydrophobicContact CG2-CD1 4.37Š| |||
| 632 | Q | 24.8 | Very low | 28.5 | Very low | 166 Ų | 166 | 138.1 Ų | 138.1 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | -58.3 | 165.9 | 162.6 | -55 | 155.9 | -15.7 | 0 | 0 | 112.1 | ||||
| 633 | L | 25.2 | Very low | 28.2 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 65% | 0.654 | 73% | 0.732 | S | S | * | * | 169.2 | 125.1 | 107.4 | -103.9 | 112 | 0 | 0 | 0 | 112.9 | T631 | T631-L633 HydrophobicContact CG2-CD1 4.37Š| |||
| 634 | Y | 25.7 | Very low | 27.9 | Very low | 196 Ų | 196 | 131.8 Ų | 131.8 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | trans | 66.6 | 156.4 | 136.2 | -80.1 | -130.4 | 0 | 0 | 0 | 119 | ||||
| 635 | D | 26.1 | Very low | 28 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 62% | 0.615 | 73% | 0.733 | S | S | * | * | cis | -151.4 | -179.1 | -1.1 | -146.5 | -13.7 | 0 | 0 | 0 | 113.5 | ||||
| 636 | L | 28.5 | Very low | 27.9 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | trans | 45.2 | 92 | 150.3 | -68.9 | 161.4 | 0 | 0 | 0 | 116.9 | ||||
| 637 | S | 24.4 | Very low | 27 | Very low | 79 Ų | 79 | 140.6 Ų | 140.6 | 55% | 0.552 | 74% | 0.74 | S | S | * | * | 66.7 | 140.1 | 64.4 | 100 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 638 | K | 28 | Very low | 26 | Very low | 189 Ų | 189 | 144.4 Ų | 144.4 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | trans | 72.6 | 152.6 | 157.8 | -66.3 | 172.7 | -177.5 | 167.5 | 0 | 114.8 | ||||
| 639 | V | 27.2 | Very low | 26 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 71% | 0.709 | 74% | 0.744 | S | S | * | * | cis | -157.5 | 154.2 | 6.3 | 98.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 640 | K | 26.2 | Very low | 26.2 | Very low | 169 Ų | 169 | 150.1 Ų | 150.1 | 74% | 0.735 | 75% | 0.748 | S | S | * | * | trans | 58.2 | 122.2 | 156.4 | -71.7 | -166.4 | 175 | -174.6 | 0 | 119.8 | ||||
| 641 | M | 26.3 | Very low | 26.3 | Very low | 123 Ų | 123 | 147 Ų | 147 | 61% | 0.606 | 75% | 0.745 | S | S | * | * | 91.1 | 121.4 | 72.3 | -76.2 | 171.2 | 72.9 | 0 | 0 | 113.9 | |||||
| 642 | E | 24.5 | Very low | 26.2 | Very low | 169 Ų | 169 | 146.5 Ų | 146.5 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | trans | 71 | 159.5 | 143.6 | -61.2 | 171.3 | 168.2 | 0 | 0 | 117.4 | ||||
| 643 | A | 25.1 | Very low | 26.1 | Very low | 83 Ų | 83 | 147 Ų | 147 | 69% | 0.686 | 75% | 0.748 | S | S | * | * | cis | -147.2 | 167.3 | 11.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 644 | S | 24 | Very low | 25.9 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | trans | 45 | 110.6 | 143.1 | 60.7 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 645 | R | 26.1 | Very low | 27.2 | Very low | 244 Ų | 244 | 142.7 Ų | 142.7 | 92% | 0.921 | 75% | 0.753 | S | S | * | * | 29.4 | 129.4 | 118.1 | -59.1 | 173.4 | 175.1 | 175.2 | -2.2 | 119.7 | |||||
| 646 | A | 24.6 | Very low | 27.4 | Very low | 104 Ų | 104 | 144.2 Ų | 144.2 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | -179.3 | 157.9 | 108 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 647 | N | 28.2 | Very low | 27.7 | Very low | 154 Ų | 154 | 144.3 Ų | 144.3 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | trans | -77 | 150.8 | -177.6 | -48.4 | -59.2 | 0 | 0 | 0 | 115.3 | ||||
| 648 | K | 28.2 | Very low | 27.9 | Very low | 181 Ų | 181 | 146.2 Ų | 146.2 | 79% | 0.787 | 77% | 0.765 | S | S | * | * | 169.7 | 153.6 | 114.1 | -94.6 | 164.1 | -177.1 | 171.3 | 0 | 114.5 | |||||
| 649 | R | 26.3 | Very low | 28.3 | Very low | 226 Ų | 226 | 142.5 Ų | 142.5 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | trans | 42.4 | 124.5 | 150.6 | -62.2 | 172.6 | 176.5 | 174.5 | -4.6 | 118.8 | ||||
| 650 | K | 29.9 | Very low | 28.4 | Very low | 192 Ų | 192 | 140.2 Ų | 140.2 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | cis | 100.5 | 109.8 | 49.5 | -161.6 | -163.3 | -175.5 | -165.3 | 0 | 113.2 | ||||
| 651 | S | 27.6 | Very low | 28.7 | Very low | 103 Ų | 103 | 140 Ų | 140 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | 64.6 | 114.7 | 150.2 | 61.6 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 652 | S | 23.3 | Very low | 28.8 | Very low | 107 Ų | 107 | 140.8 Ų | 140.8 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -179.3 | 120.6 | 135.9 | 53.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 653 | E | 23.4 | Very low | 29 | Very low | 176 Ų | 176 | 138.7 Ų | 138.7 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | 59.8 | 106.4 | 90.4 | -66.4 | -172.9 | 137.8 | 0 | 0 | 115 | |||||
| 654 | C | 21.1 | Very low | 29.1 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | 90.5 | 171.2 | 90.7 | -72.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 655 | P | 52.4 | Low | 29.4 | Very low | 111 Ų | 111 | 144.6 Ų | 144.6 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | cis | -137.2 | -150.1 | -7.2 | 35.6 | -11.6 | 0 | 0 | 0 | 114.9 | ||||
| 656 | L | 30 | Very low | 29.6 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | 94.4 | 139.6 | 161 | -49.5 | -176.7 | 0 | 0 | 0 | 118.1 | ||||
| 657 | L | 35.3 | Very low | 29.7 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | cis | -160.6 | -173.6 | -12.4 | -98.8 | 174 | 0 | 0 | 0 | 107.5 | ||||
| 658 | D | 28.4 | Very low | 29.5 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 64% | 0.642 | 75% | 0.75 | S | S | * | * | cis | -155.8 | 152.9 | 3.3 | -118.6 | -37 | 0 | 0 | 0 | 107.6 | ||||
| 659 | S | 36 | Very low | 30.2 | Very low | 111 Ų | 111 | 136.7 Ų | 136.7 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | 65.9 | 137.7 | 80.2 | -53.8 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 660 | G | 30 | Very low | 30.2 | Very low | 69 Ų | 69 | 130.2 Ų | 130.2 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | cis | 167.7 | -157.7 | -1.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 661 | I | 32 | Very low | 30 | Very low | 165 Ų | 165 | 128.6 Ų | 128.6 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | trans | 75.3 | 153.7 | 164 | -86.3 | 165.3 | 0 | 0 | 0 | 117.9 | ||||
| 662 | I | 28.5 | Very low | 29.9 | Very low | 139 Ų | 139 | 130.7 Ų | 130.7 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | cis | -179.9 | 164.4 | -30.1 | -110.8 | -167.5 | 0 | 0 | 0 | 107.9 | ||||
| 663 | I | 29.2 | Very low | 30 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 64% | 0.641 | 73% | 0.733 | S | S | * | * | cis | -172.6 | 145.7 | -35.3 | -134.4 | -173.6 | 0 | 0 | 0 | 113.1 | ||||
| 664 | L | 27.8 | Very low | 30.1 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | trans | 61.2 | 166.9 | 159.1 | -56.8 | 173.2 | 0 | 0 | 0 | 119.8 | ||||
| 665 | K | 29.3 | Very low | 30.4 | Very low | 166 Ų | 166 | 131.8 Ų | 131.8 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | cis | -164.6 | 177.7 | 4.1 | -139 | 175.6 | 173.7 | -164.9 | 0 | 114.9 | ||||
| 666 | D | 29.3 | Very low | 29.2 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 66% | 0.663 | 71% | 0.709 | S | S | * | * | trans | 98.5 | 136.6 | 145.6 | -63.1 | -26.9 | 0 | 0 | 0 | 126.2 | ||||
| 667 | T | 27.9 | Very low | 29.1 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 72% | 0.718 | 71% | 0.706 | S | S | * | * | trans | 42.4 | 120.6 | 151.8 | 48.9 | 0 | 0 | 0 | 0 | 127.1 | ||||
| 668 | I | 23.8 | Very low | 28.7 | Very low | 157 Ų | 157 | 131.1 Ų | 131.1 | 81% | 0.805 | 71% | 0.708 | S | S | * | * | 43.8 | 138.1 | 103.5 | -64.7 | 175.2 | 0 | 0 | 0 | 118.9 | |||||
| 669 | P | 43 | Very low | 28.4 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 77% | 0.766 | 71% | 0.711 | S | S | * | * | cis | -143.6 | -178.4 | -8.9 | 42.7 | -23.4 | 0 | 0 | 0 | 118.5 | ||||
| 670 | A | 26 | Very low | 27.8 | Very low | 90 Ų | 90 | 132.7 Ų | 132.7 | 74% | 0.744 | 71% | 0.707 | S | S | * | * | trans | 85.1 | 141 | 135.1 | 0 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 671 | E | 26.2 | Very low | 27.4 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 74% | 0.743 | 71% | 0.706 | S | S | * | * | trans | 76.9 | 121.7 | 148.5 | -69.4 | -133.5 | 102.1 | 0 | 0 | 124.6 | ||||
| 672 | Q | 24.9 | Very low | 27.7 | Very low | 146 Ų | 146 | 133.4 Ų | 133.4 | 68% | 0.682 | 70% | 0.701 | S | S | * | * | trans | 65.2 | 137.6 | 144.1 | -61.7 | -173.7 | 35.4 | 0 | 0 | 119.2 | ||||
| 673 | H | 26.3 | Very low | 27.4 | Very low | 138 Ų | 138 | 135 Ų | 135 | 64% | 0.639 | 71% | 0.705 | S | S | * | * | cis | -160.2 | 135.9 | -0.4 | -146.6 | -137.9 | 0 | 0 | 0 | 111.4 | ||||
| 674 | K | 25.3 | Very low | 27.1 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 65% | 0.652 | 70% | 0.7 | S | S | * | * | trans | 50.5 | 150.4 | 137.7 | -65.7 | -161 | -176.7 | -161.4 | 0 | 121.5 | ||||
| 675 | Q | 26.8 | Very low | 26.8 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 64% | 0.64 | 70% | 0.703 | S | S | * | * | cis | -163 | 169.6 | 4 | -116.3 | 175.3 | -68 | 0 | 0 | 108 | ||||
| 676 | D | 27.9 | Very low | 26.5 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 55% | 0.551 | 71% | 0.706 | S | S | * | * | cis | -139.7 | 143 | 3.7 | -98.9 | -53.1 | 0 | 0 | 0 | 107.9 | ||||
| 677 | E | 26.5 | Very low | 26.2 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 72% | 0.72 | 71% | 0.71 | S | S | * | * | 54.3 | 139.5 | 102.7 | -54.7 | -163 | 158.1 | 0 | 0 | 116.3 | |||||
| 678 | V | 26.8 | Very low | 25.8 | Very low | 122 Ų | 122 | 137 Ų | 137 | 74% | 0.739 | 71% | 0.708 | S | S | * | * | cis | -139.1 | 136.7 | 25.8 | 178.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 679 | Q | 22.3 | Very low | 25.7 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | 84.8 | 147 | 52.2 | -133.3 | -167.4 | 80.7 | 0 | 0 | 115.4 | |||||
| 680 | V | 24.2 | Very low | 24.7 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 69% | 0.691 | 70% | 0.702 | S | S | * | * | trans | 70 | 142.7 | 160.7 | 177.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 681 | I | 22.4 | Very low | 24.6 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 70% | 0.697 | 70% | 0.704 | S | S | * | * | cis | -159.4 | 150 | -36.2 | -111.5 | 161.5 | 0 | 0 | 0 | 107.9 | ||||
| 682 | P | 37.2 | Very low | 24.5 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 73% | 0.734 | 70% | 0.698 | S | S | * | * | trans | -105.1 | 162.1 | 179.4 | 39.4 | -34.4 | 0 | 0 | 0 | 115.7 | ||||
| 683 | H | 22.6 | Very low | 24.3 | Very low | 172 Ų | 172 | 141.9 Ų | 141.9 | 80% | 0.796 | 71% | 0.705 | S | S | * | * | trans | -161.3 | 142.4 | 170.3 | -98.8 | -71 | 0 | 0 | 0 | 108.6 | ||||
| 684 | T | 22.6 | Very low | 24.1 | Very low | 90 Ų | 90 | 139.4 Ų | 139.4 | 55% | 0.552 | 70% | 0.702 | S | S | * | * | cis | -166.4 | 158 | -20.7 | -4.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 685 | Y | 22.1 | Very low | 24 | Very low | 207 Ų | 207 | 140.7 Ų | 140.7 | 81% | 0.812 | 71% | 0.707 | S | S | * | * | trans | 56.6 | 131.4 | 165.5 | -58.8 | -65.3 | 0 | 0 | 0 | 118.5 | ||||
| 686 | Q | 22.9 | Very low | 23.9 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 77% | 0.771 | 71% | 0.711 | S | S | * | * | cis | 72.7 | 94.3 | 5.8 | -156.7 | -172.9 | 25 | 0 | 0 | 118.6 | ||||
| 687 | V | 22 | Very low | 23.7 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | trans | -145.6 | 139.6 | 142.2 | -142.3 | 0 | 0 | 0 | 0 | 103.1 | ||||
| 688 | L | 20.8 | Very low | 24 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 68% | 0.675 | 72% | 0.72 | S | S | * | * | cis | 55.6 | 143.7 | 49.7 | -66.7 | 154.9 | 0 | 0 | 0 | 110.3 | ||||
| 689 | E | 22 | Very low | 23.9 | Very low | 156 Ų | 156 | 144.8 Ų | 144.8 | 73% | 0.729 | 73% | 0.727 | S | S | * | * | cis | -152.3 | -168.2 | 18.6 | -147.4 | 151.8 | -129.3 | 0 | 0 | 110.8 | ||||
| 690 | E | 21.6 | Very low | 24.3 | Very low | 150 Ų | 150 | 146 Ų | 146 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | trans | -46.3 | 177.1 | 173.2 | -58.8 | 176.9 | 168.2 | 0 | 0 | 116.7 | ||||
| 691 | Q | 22.3 | Very low | 24.6 | Very low | 168 Ų | 168 | 148.1 Ų | 148.1 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | cis | -158.9 | -178.8 | 20.3 | -146.4 | 169.6 | 79.7 | 0 | 0 | 111.9 | ||||
| 692 | S | 24.2 | Very low | 24.7 | Very low | 90 Ų | 90 | 150.2 Ų | 150.2 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | trans | -90.5 | 151.3 | -174.9 | 65.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 693 | Y | 21.7 | Very low | 24.2 | Very low | 210 Ų | 210 | 153.9 Ų | 153.9 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | -173.3 | 141.7 | 118.1 | -121.8 | -113.8 | 0 | 0 | 0 | 116.8 | |||||
| 694 | C | 22.5 | Very low | 24.7 | Very low | 86 Ų | 86 | 155.4 Ų | 155.4 | 58% | 0.581 | 75% | 0.754 | S | S | * | * | trans | 32.3 | 126.4 | 150.9 | -77 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 695 | K | 23 | Very low | 24.9 | Very low | 176 Ų | 176 | 159.6 Ų | 159.6 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | 88 | 115.7 | 122.9 | -75.4 | 179.1 | 176.1 | -178.5 | 0 | 123.1 | |||||
| 696 | L | 24.6 | Very low | 25.1 | Very low | 138 Ų | 138 | 157.3 Ų | 157.3 | 72% | 0.723 | 76% | 0.764 | S | S | * | * | 82.6 | 132 | 129 | -72.8 | 164.1 | 0 | 0 | 0 | 122.1 | |||||
| 697 | E | 23.8 | Very low | 25.4 | Very low | 163 Ų | 163 | 157 Ų | 157 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | 79.4 | 110.5 | 147.3 | -72.2 | 174.2 | -152.3 | 0 | 0 | 122.9 | ||||
| 698 | S | 33.2 | Very low | 25.9 | Very low | 98 Ų | 98 | 157.1 Ų | 157.1 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | 80 | 76.5 | 127.2 | -57.2 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 699 | K | 25 | Very low | 26.5 | Very low | 203 Ų | 203 | 161.1 Ų | 161.1 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | trans | -164.8 | 150.3 | 139.7 | -90.4 | 127.6 | -162.8 | 170.8 | 0 | 107.6 | ||||
| 700 | K | 30.6 | Very low | 27 | Very low | 176 Ų | 176 | 161 Ų | 161 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | cis | 89.3 | 111.4 | 36.8 | -161.9 | -173.1 | -177.4 | -171.3 | 0 | 112.7 | ||||
| 701 | Q | 28.9 | Very low | 27.8 | Very low | 159 Ų | 159 | 159.6 Ų | 159.6 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | 75.2 | 156.2 | 179.8 | -73.2 | 166 | -107.3 | 0 | 0 | 117.2 | ||||
| 702 | E | 25.9 | Very low | 28.5 | Very low | 179 Ų | 179 | 163.2 Ų | 163.2 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | 64.3 | 93.7 | 170.7 | -71.1 | 163.2 | -150.5 | 0 | 0 | 118.9 | ||||
| 703 | Q | 25.5 | Very low | 29.4 | Very low | 191 Ų | 191 | 167.9 Ų | 167.9 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | -168.7 | 97.1 | 131.9 | -109.8 | 174.8 | -3.1 | 0 | 0 | 111.8 | ||||
| 704 | E | 34.6 | Very low | 30.1 | Very low | 204 Ų | 204 | 164.8 Ų | 164.8 | 95% | 0.953 | 80% | 0.796 | S | S | * | * | trans | -99.2 | 74.4 | 155.6 | -84.3 | -165.6 | 108.3 | 0 | 0 | 108.9 | ||||
| 705 | E | 26.8 | Very low | 30.7 | Very low | 177 Ų | 177 | 165.5 Ų | 165.5 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | trans | -159.7 | 164.2 | 162.6 | -120.5 | 164.2 | -165.1 | 0 | 0 | 111.9 | ||||
| 706 | E | 25.3 | Very low | 31.3 | Very low | 159 Ų | 159 | 162.5 Ų | 162.5 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 57.3 | 62.4 | 172 | -69.7 | -104.5 | 105.3 | 0 | 0 | 118.1 | ||
| 707 | L | 28.2 | Very low | 31.8 | Very low | 160 Ų | 160 | 164 Ų | 164 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | -131.2 | 30.6 | 135.2 | -118.3 | 177.4 | 0 | 0 | 0 | 113.4 | R709 | L707-R709 PolarHBondContact O-N 3.12Š| ||
| 708 | C | 33.1 | Very low | 32.2 | Very low | 127 Ų | 127 | 164.4 Ų | 164.4 | 86% | 0.858 | 80% | 0.804 | S | S | * | * | trans | -82.2 | 34.9 | -173.6 | -129.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 709 | R | 34.2 | Very low | 32 | Very low | 214 Ų | 214 | 170.1 Ų | 170.1 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | trans | -140 | 72.7 | 178.8 | -67.4 | -165.5 | -175.6 | -148.8 | 0.6 | 114.2 | L707 | L707-R709 PolarHBondContact O-N 3.12Š| ||
| 710 | L | 31.4 | Very low | 32.3 | Very low | 154 Ų | 154 | 167.6 Ų | 167.6 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -131 | 148.2 | 155.5 | -76.1 | 177.4 | 0 | 0 | 0 | 111.5 | ||
| 711 | P | 38.1 | Very low | 32 | Very low | 119 Ų | 119 | 166.4 Ų | 166.4 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -70.2 | 151.7 | -172.4 | -21.4 | 35 | 0 | 0 | 0 | 115.2 | H713 | P711-H713 PolarHBondContact O-N 3.36Š| ||
| 712 | R | 37.9 | Very low | 32 | Very low | 244 Ų | 244 | 165.2 Ų | 165.2 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -68.4 | 20.5 | -165.6 | -74.5 | -176.1 | 167.5 | 171.6 | -2.8 | 118.3 | ||
| 713 | H | 42.9 | Very low | 31.9 | Very low | 188 Ų | 188 | 160.3 Ų | 160.3 | 87% | 0.87 | 82% | 0.815 | S | S | * | * | trans | -136.4 | 71.8 | 179.8 | -74.4 | -58.4 | 0 | 0 | 0 | 113.2 | P711 | P711-H713 PolarHBondContact O-N 3.36Š| ||
| 714 | H | 36.2 | Very low | 32.3 | Very low | 146 Ų | 146 | 158.3 Ų | 158.3 | 68% | 0.676 | 81% | 0.811 | S | S | * | * | trans | -116.8 | 135.8 | 168.5 | -162.6 | -105 | 0 | 0 | 0 | 112.1 | L716 | H714-L716 VanDerWaalsContact C-N 3.34Å; H714-L716 PolarHBondContact O-N 3.31Å; H714-L716 VanDerWaalsContact O-N 3.08Å | ||
| 715 | P | 34.6 | Very low | 32.1 | Very low | 101 Ų | 101 | 155.6 Ų | 155.6 | 66% | 0.656 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 26.4 | -158.5 | -11.8 | 31.7 | 0 | 0 | 0 | 116.8 | ||
| 716 | L | 36 | Very low | 32.4 | Very low | 112 Ų | 112 | 154.8 Ų | 154.8 | 59% | 0.586 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.9 | 0.8 | -167.3 | -64.3 | -175.8 | 0 | 0 | 0 | 116.5 | H714 | H714-L716 VanDerWaalsContact C-N 3.34Å; H714-L716 PolarHBondContact O-N 3.31Å; H714-L716 VanDerWaalsContact O-N 3.08Å |
| 717 | L | 36.1 | Very low | 32.6 | Very low | 171 Ų | 171 | 154.9 Ų | 154.9 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | trans | -111.1 | 44.5 | -176.6 | -71.1 | 175.2 | 0 | 0 | 0 | 114.4 | ||||
| 718 | I | 32.2 | Very low | 32.6 | Very low | 171 Ų | 171 | 155.5 Ų | 155.5 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | trans | -140.5 | 93.8 | 161.1 | -51.7 | 179.2 | 0 | 0 | 0 | 109.8 | ||||
| 719 | R | 27.8 | Very low | 32.4 | Very low | 217 Ų | 217 | 156 Ų | 156 | 82% | 0.819 | 80% | 0.801 | S | S | * | * | trans | -147.6 | 103.9 | 148.2 | -166.9 | 171.1 | -169.7 | 176.1 | 1.4 | 110.6 | ||||
| 720 | E | 31.4 | Very low | 32.2 | Very low | 151 Ų | 151 | 151.4 Ų | 151.4 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | 39.1 | 102.7 | 145.3 | -56 | 166.6 | 133.9 | 0 | 0 | 118.7 | ||||
| 721 | T | 24.4 | Very low | 32.2 | Very low | 151 Ų | 151 | 150 Ų | 150 | 93% | 0.926 | 80% | 0.8 | S | S | * | * | -133.3 | 150 | 123.8 | 43.1 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 722 | C | 28.9 | Very low | 31.9 | Very low | 133 Ų | 133 | 152.8 Ų | 152.8 | 90% | 0.899 | 80% | 0.803 | S | S | * | * | trans | -111.7 | 132.5 | 165.5 | -178 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 723 | G | 25.1 | Very low | 31.7 | Very low | 77 Ų | 77 | 147 Ų | 147 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -142.4 | 134.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 724 | D | 33.1 | Very low | 31.3 | Very low | 148 Ų | 148 | 146.7 Ų | 146.7 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -124.3 | 114.5 | -175.8 | -169.1 | 39.8 | 0 | 0 | 0 | 106.8 | ||||
| 725 | D | 30.1 | Very low | 31.2 | Very low | 148 Ų | 148 | 149.3 Ų | 149.3 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -154.5 | 94.7 | -179.1 | -110.4 | -38.7 | 0 | 0 | 0 | 108.6 | Q727 | D725-Q727 PolarHBondContact O-N 3Š| ||
| 726 | D | 32.4 | Very low | 31.4 | Very low | 160 Ų | 160 | 152 Ų | 152 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | -74 | 111.3 | 170.6 | -90.5 | -31.7 | 0 | 0 | 0 | 109.7 | ||||
| 727 | Q | 30.1 | Very low | 32.1 | Very low | 161 Ų | 161 | 150.6 Ų | 150.6 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -122.2 | 104.2 | 159.4 | -69.3 | -167 | 17.9 | 0 | 0 | 110.4 | D725 I729 | D725-Q727 PolarHBondContact O-N 3Å; Q727-I729 PolarHBondContact O-N 2.96Å; Q727-I729 VanDerWaalsContact O-N 3.11Å | ||
| 728 | D | 28.9 | Very low | 32.8 | Very low | 173 Ų | 173 | 151.1 Ų | 151.1 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | -63.2 | 106 | 167.5 | -98.3 | -43.1 | 0 | 0 | 0 | 109.8 | ||||
| 729 | I | 27.8 | Very low | 34.5 | Very low | 137 Ų | 137 | 146 Ų | 146 | 70% | 0.703 | 77% | 0.767 | S | S | * | * | trans | -108.8 | 111.4 | 157.1 | -58.6 | -177.5 | 0 | 0 | 0 | 107.2 | Q727 V731 | Q727-I729 PolarHBondContact O-N 2.96Å; Q727-I729 VanDerWaalsContact O-N 3.11Å; I729-V731 HydrophobicContact CG2-CG2 4.14Å; I729-V731 PolarHBondContact O-N 2.68Å | ||
| 730 | S | 31.6 | Very low | 36.6 | Very low | 118 Ų | 118 | 142 Ų | 142 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | trans | -70.1 | 97 | 179.4 | 56 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 731 | V | 30.6 | Very low | 38.9 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 76% | 0.758 | 74% | 0.735 | S | S | * | * | trans | -115.7 | 108.1 | 165.1 | -173.7 | 0 | 0 | 0 | 0 | 108 | I729 | I729-V731 HydrophobicContact CG2-CG2 4.14Å; I729-V731 PolarHBondContact O-N 2.68Å | ||
| 732 | E | 32.3 | Very low | 41.5 | Very low | 177 Ų | 177 | 130.6 Ų | 130.6 | 83% | 0.827 | 69% | 0.692 | S | S | * | * | trans | -79 | 174 | 166 | -64.8 | -164.4 | 129.3 | 0 | 0 | 110.6 | ||||
| 733 | V | 32.5 | Very low | 43.8 | Very low | 123 Ų | 123 | 128.8 Ų | 128.8 | 75% | 0.745 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 82.9 | 112.6 | 176.2 | -168.5 | 0 | 0 | 0 | 0 | 115.6 | ||
| 734 | E | 35.9 | Very low | 46.4 | Very low | 180 Ų | 180 | 129.2 Ų | 129.2 | 84% | 0.841 | 66% | 0.658 | S | S | * | * | trans | 50.1 | 96 | 149.1 | -63.3 | 166.7 | -173.4 | 0 | 0 | 119.9 | ||||
| 735 | Q | 33.7 | Very low | 48.8 | Very low | 202 Ų | 202 | 122.8 Ų | 122.8 | 94% | 0.944 | 62% | 0.623 | S | S | * | * | trans | -107.4 | 109.1 | 151.2 | -154.4 | 173.6 | 72 | 0 | 0 | 108.6 | ||||
| 736 | E | 39.3 | Very low | 51.3 | Low | 157 Ų | 157 | 117.6 Ų | 117.6 | 73% | 0.734 | 60% | 0.597 | S | S | * | * | trans | -57.6 | 149.5 | -166.3 | -60.1 | 174 | 105.6 | 0 | 0 | 115.7 | K738 | E736-K738 VanDerWaalsContact C-N 3.32Å; E736-K738 PolarHBondContact O-N 3.48Å | ||
| 737 | E | 50.1 | Low | 53.7 | Low | 82 Ų | 82 | 115.3 Ų | 115.3 | 38% | 0.383 | 58% | 0.581 | S | S | . | * | trans | -72.7 | 75.1 | 178.6 | -62.5 | -167.9 | 134.3 | 0 | 0 | 113.1 | E739 K743 T746 | E737-E739 PolarHBondContact O-N 3.14Å; E737-K743 HydrophobicContact CB-CG 4.21Å; E737-K743 VanDerWaalsContact O-CE 3.27Å; E737-K743 WeakPolarHBondContact O-CE 3.2Å; E737-T746 VanDerWaalsContact CD-OG1 3.32Å; E737-T746 VanDerWaalsContact OE1-CG2 3.22Å; E737-T746 WeakPolarHBondContact OE1-CG2 3.38Å; E737-T746 PolarHBondContact OE1-OG1 2.95Å; E737-T746 PolarHBondContact OE2-OG1 3.22Å; E737-T746 VanDerWaalsContact OE2-OG1 3.09Å | ||
| 738 | K | 51.8 | Low | 56.4 | Low | 183 Ų | 183 | 107.9 Ų | 107.9 | 80% | 0.796 | 55% | 0.546 | S | S | * | . | trans | -62.2 | 14.3 | -178.2 | -83.3 | 178.4 | 174.3 | 164.9 | 0 | 117.7 | E736 | E736-K738 VanDerWaalsContact C-N 3.32Å; E736-K738 PolarHBondContact O-N 3.48Å | ||
| 739 | E | 66.2 | Low | 59.1 | Low | 64 Ų | 64 | 100.4 Ų | 100.4 | 30% | 0.299 | 51% | 0.505 | S | S | . | . | trans | -137.9 | 99 | 179.5 | -67.4 | -178.7 | -161.7 | 0 | 0 | 110.2 | E737 W741 A742 K944 R945 | E737-E739 PolarHBondContact O-N 3.14Å; E739-W741 VanDerWaalsContact C-N 3.26Å; E739-W741 PolarHBondContact O-N 3.08Å; E739-W741 PolarHBondContact OE2-NE1 2.95Å; E739-A742 WeakPolarHBondContact O-CB 3.49Å; E739-A742 PolarHBondContact O-N 2.89Å; E739-K944 IonicContact OE1-NZ 3.28Å; E739-K944 PolarHBondContact OE1-NZ 3.43Å; E739-K944 VanDerWaalsContact OE1-NZ 3.08Å; E739-R945 IonicContact OE2-CZ 2.8Å; E739-R945 IonicContact OE2-NH2 3.1Å; E739-R945 PolarHBondContact OE2-NH2 2.85Å | ||
| 740 | E | 72.1 | Confident | 61.9 | Low | 131 Ų | 131 | 95.9 Ų | 95.9 | 61% | 0.612 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -47.9 | -37.9 | -170.5 | -62.4 | -53.8 | 130.7 | 0 | 0 | 115.6 | A742 K743 P744 | E740-A742 PolarHBondContact O-N 3.04Å; E740-A742 VanDerWaalsContact O-N 3.07Å; E740-K743 PolarHBondContact O-N 3.32Å; E740-K743 WeakPolarHBondContact OE1-CE 3.46Å; E740-K743 IonicContact OE1-NZ 3.17Å; E740-K743 PolarHBondContact OE1-NZ 3.5Å; E740-K743 WeakPolarHBondContact OE2-CE 3.34Å; E740-K743 IonicContact OE2-NZ 2.97Å; E740-K743 PolarHBondContact OE2-NZ 2.96Å; E740-P744 WeakPolarHBondContact O-CD 3.46Å |
| 741 | W | 80.4 | Confident | 64.1 | Low | 62 Ų | 62 | 93.8 Ų | 93.8 | 24% | 0.235 | 47% | 0.466 | C | S | . | . | G | 310 helix | trans | -60.6 | -19.7 | 179.7 | 74.3 | -93.2 | 0 | 0 | 0 | 113.8 | E739 L745 W749 C941 R945 A973 A974 | E739-W741 VanDerWaalsContact C-N 3.26Å; E739-W741 PolarHBondContact O-N 3.08Å; E739-W741 PolarHBondContact OE2-NE1 2.95Å; W741-L745 HydrophobicContact CE3-CD1 4.25Å; W741-L745 HydrophobicContact CZ3-CD1 4.2Å; W741-W749 HydrophobicContact CH2-CH2 4.29Å; W741-W749 HydrophobicContact CZ3-CH2 4.37Å; W741-C941 HydrophobicContact CH2-CB 3.88Å; W741-C941 HydrophobicContact CZ2-CB 3.85Å; W741-R945 VanDerWaalsContact CZ2-NH1 3.29Å; W741-A973 HydrophobicContact CE3-CB 3.97Å; W741-A973 VanDerWaalsContact CE3-O 3.25Å; W741-A973 HydrophobicContact CZ3-CB 3.67Å; W741-A974 HydrophobicContact CD2-CB 4.08Å; W741-A974 HydrophobicContact CE3-CB 4.24Å; W741-A974 HydrophobicContact CH2-CB 3.85Å; W741-A974 HydrophobicContact CZ2-CB 3.63Å; W741-A974 HydrophobicContact CZ3-CB 4.16Å |
| 742 | A | 78.8 | Confident | 66.6 | Low | 2 Ų | 2 | 92.3 Ų | 92.3 | 2% | 0.017 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -82.4 | -38.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E739 E740 P744 L745 T746 | E739-A742 WeakPolarHBondContact O-CB 3.49Å; E739-A742 PolarHBondContact O-N 2.89Å; E740-A742 PolarHBondContact O-N 3.04Å; E740-A742 VanDerWaalsContact O-N 3.07Å; A742-P744 VanDerWaalsContact C-CD 3.49Å; A742-L745 WeakPolarHBondContact O-CA 3.46Å; A742-L745 WeakPolarHBondContact O-CB 3.47Å; A742-L745 PolarHBondContact O-N 3.13Å; A742-T746 PolarHBondContact O-N 2.64Å; A742-T746 PolarHBondContact O-OG1 3.14Å |
| 743 | K | 77.7 | Confident | 69 | Low | 94 Ų | 94 | 89 Ų | 89 | 41% | 0.409 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -51.2 | -44.6 | -173 | -57.7 | 179.8 | -178.3 | 171.4 | 0 | 113.9 | E737 E740 L745 T746 | E737-K743 HydrophobicContact CB-CG 4.21Å; E737-K743 VanDerWaalsContact O-CE 3.27Å; E737-K743 WeakPolarHBondContact O-CE 3.2Å; E740-K743 PolarHBondContact O-N 3.32Å; E740-K743 WeakPolarHBondContact OE1-CE 3.46Å; E740-K743 IonicContact OE1-NZ 3.17Å; E740-K743 PolarHBondContact OE1-NZ 3.5Å; E740-K743 WeakPolarHBondContact OE2-CE 3.34Å; E740-K743 IonicContact OE2-NZ 2.97Å; E740-K743 PolarHBondContact OE2-NZ 2.96Å; K743-L745 PolarHBondContact O-N 3.45Å; K743-L745 VanDerWaalsContact O-N 3.13Å; K743-T746 PolarHBondContact O-N 2.97Å; K743-T746 PolarHBondContact O-OG1 3.27Å |
| 744 | P | 78.3 | Confident | 71.5 | Confident | 87 Ų | 87 | 86 Ų | 86 | 57% | 0.565 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -70.3 | -4.6 | 177.1 | 28.3 | -36.1 | 0 | 0 | 0 | 114.6 | E740 A742 | E740-P744 WeakPolarHBondContact O-CD 3.46Å; A742-P744 VanDerWaalsContact C-CD 3.49Å |
| 745 | L | 83.8 | Confident | 74 | Confident | 12 Ų | 12 | 80 Ų | 80 | 6% | 0.063 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -113.6 | 0.4 | -177.9 | -51 | 176.8 | 0 | 0 | 0 | 113 | W741 A742 K743 Q747 L748 W749 Y762 L889 A973 | W741-L745 HydrophobicContact CE3-CD1 4.25Å; W741-L745 HydrophobicContact CZ3-CD1 4.2Å; A742-L745 WeakPolarHBondContact O-CA 3.46Å; A742-L745 WeakPolarHBondContact O-CB 3.47Å; A742-L745 PolarHBondContact O-N 3.13Å; K743-L745 PolarHBondContact O-N 3.45Å; K743-L745 VanDerWaalsContact O-N 3.13Å; L745-Q747 PolarHBondContact O-N 3.27Å; L745-Q747 VanDerWaalsContact O-N 3.13Å; L745-L748 HydrophobicContact CD2-CD1 3.79Å; L745-L748 WeakPolarHBondContact O-CA 3.12Å; L745-L748 WeakPolarHBondContact O-CB 3.45Å; L745-L748 PolarHBondContact O-N 2.95Å; L745-W749 VanDerWaalsContact O-CD1 3.29Å; L745-W749 PolarHBondContact O-N 3.05Å; L745-W749 PolarHBondContact O-NE1 3.13Å; L745-Y762 HydrophobicContact CD2-CD2 3.95Å; L745-Y762 HydrophobicContact CD2-CE2 3.57Å; L745-L889 HydrophobicContact CB-CD2 4.25Å; L745-L889 HydrophobicContact CD1-CD1 4.46Å; L745-A973 HydrophobicContact CD1-CB 3.55Å |
| 746 | T | 82.3 | Confident | 76.4 | Confident | 39 Ų | 39 | 72.4 Ų | 72.4 | 24% | 0.239 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -28.6 | -170.3 | -59.2 | 0 | 0 | 0 | 0 | 113.8 | E737 A742 K743 | E737-T746 VanDerWaalsContact CD-OG1 3.32Å; E737-T746 VanDerWaalsContact OE1-CG2 3.22Å; E737-T746 WeakPolarHBondContact OE1-CG2 3.38Å; E737-T746 PolarHBondContact OE1-OG1 2.95Å; E737-T746 PolarHBondContact OE2-OG1 3.22Å; E737-T746 VanDerWaalsContact OE2-OG1 3.09Å; A742-T746 PolarHBondContact O-N 2.64Å; A742-T746 PolarHBondContact O-OG1 3.14Å; K743-T746 PolarHBondContact O-N 2.97Å; K743-T746 PolarHBondContact O-OG1 3.27Å |
| 747 | Q | 83.4 | Confident | 78.7 | Confident | 112 Ų | 112 | 69.2 Ų | 69.2 | 52% | 0.523 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -3.6 | 173.8 | -58.1 | -169.9 | 21.6 | 0 | 0 | 114.5 | L745 N755 A758 | L745-Q747 PolarHBondContact O-N 3.27Å; L745-Q747 VanDerWaalsContact O-N 3.13Å; Q747-N755 PolarHBondContact OE1-ND2 3.36Å; Q747-A758 HydrophobicContact CB-CB 3.8Å |
| 748 | L | 86.3 | Confident | 80.5 | Confident | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -6.9 | -177.9 | -57.5 | 176.2 | 0 | 0 | 0 | 113.5 | L745 Q750 A758 E759 Y762 L889 R890 | L745-L748 HydrophobicContact CD2-CD1 3.79Å; L745-L748 WeakPolarHBondContact O-CA 3.12Å; L745-L748 WeakPolarHBondContact O-CB 3.45Å; L745-L748 PolarHBondContact O-N 2.95Å; L748-Q750 PolarHBondContact O-N 2.91Å; L748-A758 HydrophobicContact CD2-CB 4.18Å; L748-E759 HydrophobicContact CD2-CB 4.29Å; L748-Y762 HydrophobicContact CD1-CD1 4Å; L748-Y762 HydrophobicContact CD1-CD2 3.53Å; L748-Y762 HydrophobicContact CD1-CE2 4.15Å; L748-Y762 HydrophobicContact CD1-CG 3.44Å; L748-Y762 VanDerWaalsContact CD1-CG 3.44Å; L748-L889 HydrophobicContact CB-CD2 4.25Å; L748-L889 CarbonylContact O-C 3.5Å; L748-L889 WeakPolarHBondContact O-CA 3.41Å; L748-R890 HydrophobicContact CB-CB 4.45Å; L748-R890 HydrophobicContact CD2-CB 4.5Å; L748-R890 WeakPolarHBondContact O-CB 3.17Å; L748-R890 WeakPolarHBondContact O-CG 3.13Å; L748-R890 PolarHBondContact O-N 3.2Å |
| 749 | W | 86.9 | Confident | 82.3 | Confident | 16 Ų | 16 | 57.3 Ų | 57.3 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -66.5 | 131.2 | 174.2 | -61.8 | 106.1 | 0 | 0 | 0 | 110.3 | W741 L745 S751 Q752 L889 C942 M946 | W741-W749 HydrophobicContact CH2-CH2 4.29Å; W741-W749 HydrophobicContact CZ3-CH2 4.37Å; L745-W749 VanDerWaalsContact O-CD1 3.29Å; L745-W749 PolarHBondContact O-N 3.05Å; L745-W749 PolarHBondContact O-NE1 3.13Å; W749-S751 PolarHBondContact O-N 3.17Å; W749-Q752 HydrophobicContact CB-CG 4.49Å; W749-Q752 WeakPolarHBondContact O-CB 3.39Å; W749-Q752 PolarHBondContact O-N 2.86Å; W749-L889 HydrophobicContact CD2-CD2 3.66Å; W749-L889 HydrophobicContact CE3-CD2 3.47Å; W749-L889 VanDerWaalsContact CE3-CD2 3.47Å; W749-L889 HydrophobicContact CE3-CG 3.84Å; W749-L889 HydrophobicContact CG-CD2 4.32Å; W749-L889 HydrophobicContact CH2-CD1 4.29Å; W749-L889 HydrophobicContact CH2-CD2 4Å; W749-L889 HydrophobicContact CH2-CG 4.26Å; W749-L889 HydrophobicContact CZ2-CD2 4.13Å; W749-L889 HydrophobicContact CZ3-CD1 4.14Å; W749-L889 HydrophobicContact CZ3-CD2 3.68Å; W749-L889 HydrophobicContact CZ3-CG 3.72Å; W749-C942 HydrophobicContact CH2-CB 4.41Å; W749-C942 HydrophobicContact CZ3-CB 4Å; W749-M946 HydrophobicContact CB-CE 3.87Å; W749-M946 HydrophobicContact CD2-CE 4.03Å; W749-M946 HydrophobicContact CE3-CE 3.47Å; W749-M946 VanDerWaalsContact CE3-CE 3.47Å; W749-M946 HydrophobicContact CG-CE 4.22Å; W749-M946 HydrophobicContact CZ3-CE 4.35Å |
| 750 | Q | 85.5 | Confident | 83.5 | Confident | 43 Ų | 43 | 58 Ų | 58 | 20% | 0.201 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -18.3 | -179 | -67.4 | 174.3 | 5.4 | 0 | 0 | 113.6 | L748 Q752 D883 C884 C887 S888 L889 R890 | L748-Q750 PolarHBondContact O-N 2.91Å; Q750-Q752 VanDerWaalsContact C-N 3.27Å; Q750-Q752 PolarHBondContact O-N 2.93Å; Q750-D883 HydrophobicContact CG-CB 4.13Å; Q750-C884 PolarHBondContact NE2-O 2.92Å; Q750-C887 PolarHBondContact NE2-O 3.27Å; Q750-C887 PolarHBondContact OE1-O 3.29Å; Q750-S888 PolarHBondContact N-O 2.87Å; Q750-L889 PolarHBondContact NE2-O 3Å; Q750-L889 VanDerWaalsContact NE2-O 3.16Å; Q750-R890 HydrophobicContact CG-CG 4.14Å; Q750-R890 PolarHBondContact O-NH2 2.74Å |
| 751 | S | 78.2 | Confident | 84.3 | Confident | 73 Ų | 73 | 54.4 Ų | 54.4 | 51% | 0.51 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -15.2 | 173.2 | 55.6 | 0 | 0 | 0 | 0 | 114.5 | W749 | W749-S751 PolarHBondContact O-N 3.17Š|
| 752 | Q | 82.4 | Confident | 84.8 | Confident | 95 Ų | 95 | 53 Ų | 53 | 44% | 0.444 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -93.2 | 160.6 | 173.9 | -63.5 | -64.5 | 4.3 | 0 | 0 | 111.1 | W749 Q750 R890 | W749-Q752 HydrophobicContact CB-CG 4.49Å; W749-Q752 WeakPolarHBondContact O-CB 3.39Å; W749-Q752 PolarHBondContact O-N 2.86Å; Q750-Q752 VanDerWaalsContact C-N 3.27Å; Q750-Q752 PolarHBondContact O-N 2.93Å; Q752-R890 PolarHBondContact O-NH1 3.46Å |
| 753 | P | 83.4 | Confident | 85.4 | Confident | 106 Ų | 106 | 53 Ų | 53 | 69% | 0.688 | 28% | 0.277 | S | S | * | . | trans | -52 | 150.6 | 169.9 | -25.7 | 35.4 | 0 | 0 | 0 | 112.4 | N755 R890 | P753-N755 PolarHBondContact O-N 3.33Å; P753-R890 PolarHBondContact O-NH1 2.85Å | ||
| 754 | Y | 85.8 | Confident | 86 | Confident | 61 Ų | 61 | 53.7 Ų | 53.7 | 24% | 0.239 | 28% | 0.279 | C | S | . | . | trans | -70.9 | 114.2 | 177 | 178.4 | -105.6 | 0 | 0 | 0 | 110.5 | P756 E759 I880 T881 | Y754-P756 HydrophobicContact CE1-CB 3.76Å; Y754-P756 HydrophobicContact CE1-CG 4.1Å; Y754-E759 PolarHBondContact OH-OE2 3.03Å; Y754-I880 PolarHBondContact OH-O 3.04Å; Y754-T881 HydrophobicContact CD1-CG2 4.36Å | ||
| 755 | N | 87.5 | Confident | 86.5 | Confident | 54 Ų | 54 | 55.3 Ų | 55.3 | 29% | 0.289 | 27% | 0.274 | S | S | . | . | trans | -110.4 | 105 | 170.3 | -176.7 | -0.8 | 0 | 0 | 0 | 110 | Q747 P753 Q757 A758 E759 | Q747-N755 PolarHBondContact OE1-ND2 3.36Å; P753-N755 PolarHBondContact O-N 3.33Å; N755-Q757 VanDerWaalsContact C-N 3.33Å; N755-Q757 PolarHBondContact O-N 3.14Å; N755-Q757 WeakPolarHBondContact OD1-CB 3.43Å; N755-Q757 PolarHBondContact OD1-N 2.93Å; N755-Q757 VanDerWaalsContact OD1-N 3.08Å; N755-A758 HydrophobicContact CB-CB 4.08Å; N755-A758 PolarHBondContact O-N 3.34Å; N755-E759 PolarHBondContact O-N 3.06Å | ||
| 756 | P | 85.1 | Confident | 86.5 | Confident | 43 Ų | 43 | 56.3 Ų | 56.3 | 28% | 0.279 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.8 | -36.7 | 179.5 | 24.6 | -32.1 | 0 | 0 | 0 | 112.4 | Y754 A758 E759 W760 | Y754-P756 HydrophobicContact CE1-CB 3.76Å; Y754-P756 HydrophobicContact CE1-CG 4.1Å; P756-A758 VanDerWaalsContact C-N 3.34Å; P756-A758 PolarHBondContact O-N 3.33Å; P756-E759 PolarHBondContact O-N 2.8Å; P756-E759 VanDerWaalsContact O-N 3.15Å; P756-W760 HydrophobicContact CB-CD2 4.42Å; P756-W760 HydrophobicContact CB-CH2 4.24Å; P756-W760 HydrophobicContact CB-CZ2 3.83Å; P756-W760 WeakPolarHBondContact O-CB 3.38Å; P756-W760 VanDerWaalsContact O-CD1 3.31Å; P756-W760 PolarHBondContact O-N 3.26Å |
| 757 | Q | 87.7 | Confident | 86.6 | Confident | 90 Ų | 90 | 54.7 Ų | 54.7 | 42% | 0.421 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | -178.9 | -176.4 | 59.7 | 48.1 | 0 | 0 | 111.5 | N755 E759 W760 D761 | N755-Q757 VanDerWaalsContact C-N 3.33Å; N755-Q757 PolarHBondContact O-N 3.14Å; N755-Q757 WeakPolarHBondContact OD1-CB 3.43Å; N755-Q757 PolarHBondContact OD1-N 2.93Å; N755-Q757 VanDerWaalsContact OD1-N 3.08Å; Q757-E759 VanDerWaalsContact C-N 3.34Å; Q757-E759 PolarHBondContact O-N 2.9Å; Q757-W760 PolarHBondContact O-N 3.03Å; Q757-D761 PolarHBondContact NE2-OD1 3.36Å; Q757-D761 VanDerWaalsContact NE2-OD1 3.1Å; Q757-D761 PolarHBondContact NE2-OD2 3.31Å; Q757-D761 WeakPolarHBondContact O-CB 3.45Å; Q757-D761 PolarHBondContact O-N 3.45Å |
| 758 | A | 87.6 | Confident | 86.8 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 11% | 0.107 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64 | -38.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q747 L748 N755 P756 Y762 | Q747-A758 HydrophobicContact CB-CB 3.8Å; L748-A758 HydrophobicContact CD2-CB 4.18Å; N755-A758 HydrophobicContact CB-CB 4.08Å; N755-A758 PolarHBondContact O-N 3.34Å; P756-A758 VanDerWaalsContact C-N 3.34Å; P756-A758 PolarHBondContact O-N 3.33Å; A758-Y762 VanDerWaalsContact O-CB 3.31Å; A758-Y762 WeakPolarHBondContact O-CB 3.33Å; A758-Y762 PolarHBondContact O-N 2.99Å |
| 759 | E | 89.4 | Confident | 86.6 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 176 | -165.3 | -177 | -141.2 | 0 | 0 | 111.6 | L748 Y754 N755 P756 Q757 Y762 N763 R874 G891 | L748-E759 HydrophobicContact CD2-CB 4.29Å; Y754-E759 PolarHBondContact OH-OE2 3.03Å; N755-E759 PolarHBondContact O-N 3.06Å; P756-E759 PolarHBondContact O-N 2.8Å; P756-E759 VanDerWaalsContact O-N 3.15Å; Q757-E759 VanDerWaalsContact C-N 3.34Å; Q757-E759 PolarHBondContact O-N 2.9Å; E759-Y762 PolarHBondContact O-N 2.71Å; E759-N763 WeakPolarHBondContact O-CB 3.06Å; E759-N763 VanDerWaalsContact O-CG 3.24Å; E759-N763 PolarHBondContact O-N 2.9Å; E759-N763 PolarHBondContact O-ND2 3.39Å; E759-R874 IonicContact OE1-CZ 3.7Å; E759-R874 IonicContact OE1-NH1 2.8Å; E759-R874 PolarHBondContact OE1-NH1 2.8Å; E759-R874 IonicContact OE1-NH2 2.68Å; E759-R874 PolarHBondContact OE1-NH2 3.02Å; E759-R874 IonicContact OE2-CZ 2.73Å; E759-R874 IonicContact OE2-NH1 3.74Å; E759-R874 IonicContact OE2-NH2 3.84Å; E759-R874 PolarHBondContact OE2-NH2 3.46Å; E759-G891 WeakPolarHBondContact OE1-CA 3.44Å; E759-G891 PolarHBondContact OE1-N 3.41Å |
| 760 | W | 90.9 | Very high | 86.2 | Confident | 80 Ų | 80 | 61.7 Ų | 61.7 | 30% | 0.303 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.3 | -48.6 | 175.7 | -64.7 | -12 | 0 | 0 | 0 | 112.2 | P756 Q757 Y762 N763 K764 Q848 Y850 | P756-W760 HydrophobicContact CB-CD2 4.42Å; P756-W760 HydrophobicContact CB-CH2 4.24Å; P756-W760 HydrophobicContact CB-CZ2 3.83Å; P756-W760 WeakPolarHBondContact O-CB 3.38Å; P756-W760 VanDerWaalsContact O-CD1 3.31Å; P756-W760 PolarHBondContact O-N 3.26Å; Q757-W760 PolarHBondContact O-N 3.03Å; W760-Y762 VanDerWaalsContact C-N 3.31Å; W760-Y762 PolarHBondContact O-N 3.33Å; W760-N763 PolarHBondContact O-N 2.68Å; W760-K764 WeakPolarHBondContact O-CB 3.12Å; W760-K764 PolarHBondContact O-N 3.34Å; W760-Q848 PolarHBondContact NE1-O 2.9Å; W760-Y850 HydrophobicContact CB-CD2 3.84Å; W760-Y850 HydrophobicContact CB-CE2 4.3Å; W760-Y850 HydrophobicContact CD2-CE2 4.49Å; W760-Y850 HydrophobicContact CG-CD2 4.05Å; W760-Y850 HydrophobicContact CG-CE2 4.29Å |
| 761 | D | 89.3 | Confident | 86.1 | Confident | 55 Ų | 55 | 59.7 Ų | 59.7 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.8 | -35.1 | 178.4 | -71.9 | -35.5 | 0 | 0 | 0 | 112 | Q757 R765 | Q757-D761 PolarHBondContact NE2-OD1 3.36Å; Q757-D761 VanDerWaalsContact NE2-OD1 3.1Å; Q757-D761 PolarHBondContact NE2-OD2 3.31Å; Q757-D761 WeakPolarHBondContact O-CB 3.45Å; Q757-D761 PolarHBondContact O-N 3.45Å; D761-R765 WeakPolarHBondContact O-CB 3.46Å; D761-R765 VanDerWaalsContact O-CG 3.25Å; D761-R765 WeakPolarHBondContact O-CG 3.44Å; D761-R765 PolarHBondContact O-N 3.24Å; D761-R765 PolarHBondContact O-NE 2.73Å |
| 762 | Y | 90.4 | Very high | 86.6 | Confident | 31 Ų | 31 | 58 Ų | 58 | 12% | 0.122 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64 | -55.3 | 171.3 | 175.4 | -100.4 | 0 | 0 | 0 | 111.6 | L745 L748 A758 E759 W760 K764 R765 M766 | L745-Y762 HydrophobicContact CD2-CD2 3.95Å; L745-Y762 HydrophobicContact CD2-CE2 3.57Å; L748-Y762 HydrophobicContact CD1-CD1 4Å; L748-Y762 HydrophobicContact CD1-CD2 3.53Å; L748-Y762 HydrophobicContact CD1-CE2 4.15Å; L748-Y762 HydrophobicContact CD1-CG 3.44Å; L748-Y762 VanDerWaalsContact CD1-CG 3.44Å; A758-Y762 VanDerWaalsContact O-CB 3.31Å; A758-Y762 WeakPolarHBondContact O-CB 3.33Å; A758-Y762 PolarHBondContact O-N 2.99Å; E759-Y762 PolarHBondContact O-N 2.71Å; W760-Y762 VanDerWaalsContact C-N 3.31Å; W760-Y762 PolarHBondContact O-N 3.33Å; Y762-K764 VanDerWaalsContact C-N 3.27Å; Y762-K764 PolarHBondContact O-N 2.81Å; Y762-R765 PolarHBondContact O-N 2.81Å; Y762-M766 HydrophobicContact CD1-CG 4.27Å; Y762-M766 HydrophobicContact CD2-CG 3.97Å; Y762-M766 HydrophobicContact CD2-SD 4.4Å; Y762-M766 HydrophobicContact CE1-CG 3.93Å; Y762-M766 HydrophobicContact CE2-CG 3.59Å; Y762-M766 HydrophobicContact CE2-SD 3.86Å; Y762-M766 HydrophobicContact CG-CG 4.3Å; Y762-M766 VanDerWaalsContact O-CG 3.32Å; Y762-M766 WeakPolarHBondContact O-CG 3.32Å; Y762-M766 PolarHBondContact O-N 2.99Å |
| 763 | N | 91.6 | Very high | 87 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.9 | -42.8 | 179.8 | -76.3 | -15.8 | 0 | 0 | 0 | 112 | E759 W760 G767 C849 V851 G891 G892 | E759-N763 WeakPolarHBondContact O-CB 3.06Å; E759-N763 VanDerWaalsContact O-CG 3.24Å; E759-N763 PolarHBondContact O-N 2.9Å; E759-N763 PolarHBondContact O-ND2 3.39Å; W760-N763 PolarHBondContact O-N 2.68Å; N763-G767 PolarHBondContact O-N 2.76Å; N763-C849 WeakPolarHBondContact CB-O 3.42Å; N763-C849 PolarHBondContact ND2-O 3.4Å; N763-V851 HydrophobicContact CB-CB 4.48Å; N763-G891 WeakPolarHBondContact OD1-CA 3.42Å; N763-G892 PolarHBondContact OD1-N 3.38Å |
| 764 | K | 89.3 | Confident | 87.3 | Confident | 107 Ų | 107 | 49 Ų | 49 | 47% | 0.465 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.4 | -49.7 | 176.4 | -175.4 | 175.7 | 179.1 | -180 | 0 | 112.1 | W760 Y762 G767 Q768 | W760-K764 WeakPolarHBondContact O-CB 3.12Å; W760-K764 PolarHBondContact O-N 3.34Å; Y762-K764 VanDerWaalsContact C-N 3.27Å; Y762-K764 PolarHBondContact O-N 2.81Å; K764-G767 PolarHBondContact O-N 3.01Å; K764-Q768 VanDerWaalsContact O-CG 3.27Å; K764-Q768 WeakPolarHBondContact O-CG 3.48Å; K764-Q768 PolarHBondContact O-N 2.91Å; K764-Q768 VanDerWaalsContact O-N 3.14Å |
| 765 | R | 88.8 | Confident | 87.6 | Confident | 122 Ų | 122 | 46.1 Ų | 46.1 | 46% | 0.46 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.8 | -47.3 | 176.2 | -75.7 | -178.7 | -63.8 | -114.6 | -0.2 | 111.8 | D761 Y762 G767 Q768 Q769 | D761-R765 WeakPolarHBondContact O-CB 3.46Å; D761-R765 VanDerWaalsContact O-CG 3.25Å; D761-R765 WeakPolarHBondContact O-CG 3.44Å; D761-R765 PolarHBondContact O-N 3.24Å; D761-R765 PolarHBondContact O-NE 2.73Å; Y762-R765 PolarHBondContact O-N 2.81Å; R765-G767 VanDerWaalsContact C-N 3.29Å; R765-G767 PolarHBondContact O-N 2.76Å; R765-Q768 PolarHBondContact O-N 2.91Å; R765-Q768 VanDerWaalsContact O-N 3.09Å; R765-Q769 PolarHBondContact O-N 3.13Å |
| 766 | M | 85.1 | Confident | 87.7 | Confident | 32 Ų | 32 | 43.6 Ų | 43.6 | 16% | 0.158 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.5 | -27.2 | 179.9 | -60.8 | -43.7 | -66.6 | 0 | 0 | 113 | Y762 L777 | Y762-M766 HydrophobicContact CD1-CG 4.27Å; Y762-M766 HydrophobicContact CD2-CG 3.97Å; Y762-M766 HydrophobicContact CD2-SD 4.4Å; Y762-M766 HydrophobicContact CE1-CG 3.93Å; Y762-M766 HydrophobicContact CE2-CG 3.59Å; Y762-M766 HydrophobicContact CE2-SD 3.86Å; Y762-M766 HydrophobicContact CG-CG 4.3Å; Y762-M766 VanDerWaalsContact O-CG 3.32Å; Y762-M766 WeakPolarHBondContact O-CG 3.32Å; Y762-M766 PolarHBondContact O-N 2.99Å; M766-L777 HydrophobicContact CB-CD1 4.21Å; M766-L777 HydrophobicContact CE-CD1 3.57Å; M766-L777 HydrophobicContact CE-CD2 3.63Å; M766-L777 HydrophobicContact CE-CG 4.27Å; M766-L777 HydrophobicContact CG-CD1 4.43Å |
| 767 | G | 84.9 | Confident | 87.9 | Confident | 6 Ų | 6 | 42 Ų | 42 | 6% | 0.062 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -80.4 | -10.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | N763 K764 R765 R852 | N763-G767 PolarHBondContact O-N 2.76Å; K764-G767 PolarHBondContact O-N 3.01Å; R765-G767 VanDerWaalsContact C-N 3.29Å; R765-G767 PolarHBondContact O-N 2.76Å; G767-R852 WeakPolarHBondContact O-CD 3.37Å; G767-R852 PolarHBondContact O-NH1 3.4Å |
| 768 | Q | 85.9 | Confident | 87.9 | Confident | 125 Ų | 125 | 37.7 Ų | 37.7 | 58% | 0.584 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -98.2 | -11.6 | 178.5 | -76.2 | 176 | -36.7 | 0 | 0 | 113.6 | K764 R765 Y772 | K764-Q768 VanDerWaalsContact O-CG 3.27Å; K764-Q768 WeakPolarHBondContact O-CG 3.48Å; K764-Q768 PolarHBondContact O-N 2.91Å; K764-Q768 VanDerWaalsContact O-N 3.14Å; R765-Q768 PolarHBondContact O-N 2.91Å; R765-Q768 VanDerWaalsContact O-N 3.09Å; Q768-Y772 WeakPolarHBondContact O-CE1 3.5Å |
| 769 | Q | 83.3 | Confident | 87.9 | Confident | 114 Ų | 114 | 37.3 Ų | 37.3 | 53% | 0.533 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -105.6 | 148.3 | 177.1 | -66.5 | -179.3 | -19.7 | 0 | 0 | 110.8 | R765 Y772 | R765-Q769 PolarHBondContact O-N 3.13Å; Q769-Y772 WeakPolarHBondContact O-CA 3.13Å; Q769-Y772 WeakPolarHBondContact O-CD1 3.24Å; Q769-Y772 PolarHBondContact O-N 2.91Å |
| 770 | P | 78.8 | Confident | 87.6 | Confident | 40 Ų | 40 | 39.7 Ų | 39.7 | 26% | 0.26 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 140.3 | 170 | 23 | -32.5 | 0 | 0 | 0 | 110.3 | Y772 Y780 | P770-Y772 VanDerWaalsContact C-N 3.32Å; P770-Y772 HydrophobicContact CB-CD2 4.41Å; P770-Y772 HydrophobicContact CB-CE2 3.88Å; P770-Y780 HydrophobicContact CB-CE2 4.29Å; P770-Y780 WeakPolarHBondContact O-CE1 3.4Å |
| 771 | P | 83.5 | Confident | 86.9 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -87.2 | 16.7 | 9.7 | 38.1 | -37 | 0 | 0 | 0 | 114.2 | C773 C776 Y780 S806 L809 | P771-C773 PolarHBondContact O-N 2.89Å; P771-C776 HydrophobicContact CB-CB 3.95Å; P771-C776 HydrophobicContact CG-CB 3.46Å; P771-C776 VanDerWaalsContact CG-CB 3.46Å; P771-Y780 HydrophobicContact CG-CD2 4.46Å; P771-Y780 HydrophobicContact CG-CG 4.34Å; P771-S806 PolarHBondContact O-OG 3.3Å; P771-L809 HydrophobicContact CB-CD1 3.79Å; P771-L809 HydrophobicContact CB-CG 4.14Å; P771-L809 HydrophobicContact CG-CD1 4.01Å |
| 772 | Y | 88.1 | Confident | 86.3 | Confident | 38 Ų | 38 | 37.4 Ų | 37.4 | 15% | 0.149 | 17% | 0.17 | C | C | . | . | trans | 64.6 | -1.9 | 179.5 | -47.6 | -77.5 | 0 | 0 | 0 | 116 | Q768 Q769 P770 L796 L843 R852 | Q768-Y772 WeakPolarHBondContact O-CE1 3.5Å; Q769-Y772 WeakPolarHBondContact O-CA 3.13Å; Q769-Y772 WeakPolarHBondContact O-CD1 3.24Å; Q769-Y772 PolarHBondContact O-N 2.91Å; P770-Y772 VanDerWaalsContact C-N 3.32Å; P770-Y772 HydrophobicContact CB-CD2 4.41Å; P770-Y772 HydrophobicContact CB-CE2 3.88Å; Y772-L796 HydrophobicContact CD1-CD1 4.07Å; Y772-L796 HydrophobicContact CD1-CG 4.48Å; Y772-L796 HydrophobicContact CD2-CD1 4.33Å; Y772-L796 HydrophobicContact CD2-CD2 3.99Å; Y772-L796 HydrophobicContact CD2-CG 3.88Å; Y772-L796 HydrophobicContact CE1-CD1 3.64Å; Y772-L796 HydrophobicContact CE1-CG 4.24Å; Y772-L796 HydrophobicContact CE2-CD1 3.95Å; Y772-L796 HydrophobicContact CE2-CD2 4.27Å; Y772-L796 HydrophobicContact CE2-CG 3.63Å; Y772-L796 HydrophobicContact CG-CD1 4.39Å; Y772-L796 HydrophobicContact CG-CD2 4.16Å; Y772-L796 HydrophobicContact CG-CG 4.31Å; Y772-L843 HydrophobicContact CG-CD1 4.4Å; Y772-R852 VanDerWaalsContact O-CD 3.22Å; Y772-R852 WeakPolarHBondContact O-CD 3.36Å; Y772-R852 VanDerWaalsContact O-CG 3.27Å; Y772-R852 WeakPolarHBondContact O-CG 3.44Å | ||
| 773 | C | 90.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -118.6 | 126.6 | 173.9 | 165.7 | 0 | 0 | 0 | 0 | 110.8 | P771 I775 C776 L777 L843 H854 | P771-C773 PolarHBondContact O-N 2.89Å; C773-I775 PolarHBondContact O-N 3.2Å; C773-I775 VanDerWaalsContact O-N 3.08Å; C773-I775 PolarHBondContact SG-N 3.14Å; C773-I775 VanDerWaalsContact SG-N 3.38Å; C773-C776 HydrophobicContact CB-CB 3.94Å; C773-C776 PolarHBondContact O-N 2.89Å; C773-C776 VanDerWaalsContact SG-SG 3.7Å; C773-L777 PolarHBondContact O-N 3.06Å; C773-L843 HydrophobicContact CB-CD2 4.19Å; C773-H854 WeakPolarHBondContact CB-ND1 3.48Å; C773-H854 PolarHBondContact SG-N 2.84Å; C773-H854 VanDerWaalsContact SG-N 3.41Å |
| 774 | S | 90.1 | Very high | 84.3 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 8% | 0.084 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -12.5 | -179.7 | 56.3 | 0 | 0 | 0 | 0 | 115.4 | V851 R852 | S774-V851 WeakPolarHBondContact OG-CG2 3.38Å; S774-R852 WeakPolarHBondContact CB-O 3.12Å; S774-R852 PolarHBondContact N-O 3.17Å; S774-R852 PolarHBondContact OG-O 3.04Å |
| 775 | I | 91.5 | Very high | 83.1 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -44.5 | 176 | -51.6 | 169.4 | 0 | 0 | 0 | 109.8 | C773 L777 L778 I810 V853 C857 Y858 A893 V905 I909 | C773-I775 PolarHBondContact O-N 3.2Å; C773-I775 VanDerWaalsContact O-N 3.08Å; C773-I775 PolarHBondContact SG-N 3.14Å; C773-I775 VanDerWaalsContact SG-N 3.38Å; I775-L777 PolarHBondContact O-N 2.97Å; I775-L777 VanDerWaalsContact O-N 3.08Å; I775-L778 WeakPolarHBondContact O-CB 3.38Å; I775-L778 PolarHBondContact O-N 3.09Å; I775-L778 VanDerWaalsContact O-N 3.08Å; I775-I810 HydrophobicContact CG2-CG1 4.18Å; I775-V853 HydrophobicContact CD1-CB 4.48Å; I775-V853 HydrophobicContact CD1-CG1 3.91Å; I775-V853 HydrophobicContact CG1-CG1 4.15Å; I775-C857 HydrophobicContact CB-CB 4.23Å; I775-C857 HydrophobicContact CD1-CB 3.85Å; I775-C857 WeakPolarHBondContact CD1-O 3.47Å; I775-C857 HydrophobicContact CG2-CB 4.4Å; I775-Y858 HydrophobicContact CD1-CD2 4.12Å; I775-A893 HydrophobicContact CD1-CB 4.1Å; I775-A893 HydrophobicContact CG1-CB 3.95Å; I775-V905 HydrophobicContact CD1-CB 3.99Å; I775-V905 HydrophobicContact CD1-CG1 4.05Å; I775-V905 HydrophobicContact CD1-CG2 4.39Å; I775-V905 HydrophobicContact CG1-CB 4.32Å; I775-V905 HydrophobicContact CG2-CB 4.46Å; I775-V905 HydrophobicContact CG2-CG1 4.16Å; I775-I909 HydrophobicContact CG2-CD1 3.65Å |
| 776 | C | 89.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -59.3 | -18.8 | 176.4 | -68.4 | 0 | 0 | 0 | 0 | 113.9 | P771 C773 L778 F779 Y780 L809 H854 C857 | P771-C776 HydrophobicContact CB-CB 3.95Å; P771-C776 HydrophobicContact CG-CB 3.46Å; P771-C776 VanDerWaalsContact CG-CB 3.46Å; C773-C776 HydrophobicContact CB-CB 3.94Å; C773-C776 PolarHBondContact O-N 2.89Å; C773-C776 VanDerWaalsContact SG-SG 3.7Å; C776-L778 PolarHBondContact O-N 3.15Å; C776-F779 PolarHBondContact O-N 2.91Å; C776-Y780 PolarHBondContact O-N 3.48Å; C776-L809 HydrophobicContact CB-CB 3.92Å; C776-L809 HydrophobicContact CB-CD1 4.48Å; C776-L809 HydrophobicContact CB-CG 4.29Å; C776-L809 PolarHBondContact SG-N 3.49Å; C776-H854 PolarHBondContact SG-ND1 3.07Å; C776-C857 VanDerWaalsContact SG-SG 3.65Å |
| 777 | L | 87.9 | Confident | 79.9 | Confident | 9 Ų | 9 | 40.2 Ų | 40.2 | 5% | 0.047 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -52.4 | -19.5 | 168.1 | -70.6 | 175.3 | 0 | 0 | 0 | 114.7 | M766 C773 I775 Q972 | M766-L777 HydrophobicContact CB-CD1 4.21Å; M766-L777 HydrophobicContact CE-CD1 3.57Å; M766-L777 HydrophobicContact CE-CD2 3.63Å; M766-L777 HydrophobicContact CE-CG 4.27Å; M766-L777 HydrophobicContact CG-CD1 4.43Å; C773-L777 PolarHBondContact O-N 3.06Å; I775-L777 PolarHBondContact O-N 2.97Å; I775-L777 VanDerWaalsContact O-N 3.08Å; L777-Q972 HydrophobicContact CB-CG 4.43Å |
| 778 | L | 87.9 | Confident | 78.1 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -59.3 | -44 | 177.3 | -178 | 58.2 | 0 | 0 | 0 | 112.9 | I775 C776 I810 L906 I909 T910 M978 V987 | I775-L778 WeakPolarHBondContact O-CB 3.38Å; I775-L778 PolarHBondContact O-N 3.09Å; I775-L778 VanDerWaalsContact O-N 3.08Å; C776-L778 PolarHBondContact O-N 3.15Å; L778-I810 HydrophobicContact CB-CD1 4.09Å; L778-I810 HydrophobicContact CD2-CD1 4.37Å; L778-L906 HydrophobicContact CB-CD1 3.82Å; L778-L906 HydrophobicContact CB-CG 4.02Å; L778-L906 HydrophobicContact CD1-CD1 4.4Å; L778-L906 HydrophobicContact CD1-CD2 4.18Å; L778-L906 HydrophobicContact CD1-CG 4.04Å; L778-L906 HydrophobicContact CG-CG 4.41Å; L778-I909 HydrophobicContact CD2-CB 4.08Å; L778-I909 HydrophobicContact CD2-CG2 3.57Å; L778-T910 WeakPolarHBondContact CD1-OG1 3.45Å; L778-M978 HydrophobicContact CD1-CB 4.49Å; L778-M978 HydrophobicContact CD1-CE 3.8Å; L778-M978 HydrophobicContact CD1-SD 3.92Å; L778-V987 HydrophobicContact CD2-CG2 4.34Å |
| 779 | F | 87.5 | Confident | 76.1 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | -2.4 | -175.6 | -56.6 | -39.4 | 0 | 0 | 0 | 113.5 | C776 T781 Y782 H783 L809 I810 M978 P980 V987 | C776-F779 PolarHBondContact O-N 2.91Å; F779-T781 PolarHBondContact O-N 3.42Å; F779-Y782 WeakPolarHBondContact O-CB 3.43Å; F779-Y782 PolarHBondContact O-N 3.5Å; F779-H783 PolarHBondContact O-N 3.25Å; F779-H783 VanDerWaalsContact O-N 3.13Å; F779-L809 WeakPolarHBondContact CD2-O 3.46Å; F779-I810 HydrophobicContact CD2-CD1 3.56Å; F779-I810 HydrophobicContact CE2-CD1 3.7Å; F779-I810 HydrophobicContact CE2-CG2 4.5Å; F779-I810 HydrophobicContact CG-CD1 4.36Å; F779-M978 WeakPolarHBondContact CD1-O 3.43Å; F779-P980 HydrophobicContact CD2-CG 4.49Å; F779-P980 HydrophobicContact CE2-CB 4.19Å; F779-P980 HydrophobicContact CE2-CG 4.3Å; F779-P980 HydrophobicContact CZ-CB 4.13Å; F779-V987 HydrophobicContact CE1-CG1 4.08Å; F779-V987 HydrophobicContact CE1-CG2 4.07Å; F779-V987 HydrophobicContact CZ-CG2 3.99Å |
| 780 | Y | 83.4 | Confident | 74.2 | Confident | 50 Ų | 50 | 48.8 Ų | 48.8 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.8 | -26.4 | -178.6 | -178.6 | -125 | 0 | 0 | 0 | 113.6 | P770 P771 C776 Y782 Q784 L794 L809 | P770-Y780 HydrophobicContact CB-CE2 4.29Å; P770-Y780 WeakPolarHBondContact O-CE1 3.4Å; P771-Y780 HydrophobicContact CG-CD2 4.46Å; P771-Y780 HydrophobicContact CG-CG 4.34Å; C776-Y780 PolarHBondContact O-N 3.48Å; Y780-Y782 VanDerWaalsContact C-N 3.28Å; Y780-Y782 PolarHBondContact O-N 2.65Å; Y780-Q784 VanDerWaalsContact CD1-NE2 3.29Å; Y780-Q784 HydrophobicContact CD2-CG 4.36Å; Y780-Q784 HydrophobicContact CE1-CG 4.44Å; Y780-Q784 HydrophobicContact CE2-CG 3.85Å; Y780-Q784 VanDerWaalsContact CZ-CD 3.48Å; Y780-Q784 WeakPolarHBondContact O-CG 3.24Å; Y780-Q784 PolarHBondContact O-N 3.22Å; Y780-Q784 PolarHBondContact O-NE2 3.13Å; Y780-L794 HydrophobicContact CD2-CD1 4.23Å; Y780-L794 HydrophobicContact CE2-CD1 3.93Å; Y780-L809 HydrophobicContact CD2-CD1 4.2Å |
| 781 | T | 77.6 | Confident | 72.6 | Confident | 26 Ų | 26 | 51 Ų | 51 | 16% | 0.16 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -72 | -21 | 173.9 | 54.1 | 0 | 0 | 0 | 0 | 113.5 | F779 I976 | F779-T781 PolarHBondContact O-N 3.42Å; T781-I976 PolarHBondContact OG1-O 2.82Å |
| 782 | Y | 75.3 | Confident | 70.8 | Confident | 61 Ų | 61 | 55.5 Ų | 55.5 | 24% | 0.239 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -89.4 | -46.2 | 177.6 | 177 | -96.5 | 0 | 0 | 0 | 111.8 | F779 Y780 Q784 S785 E786 L977 M978 H979 | F779-Y782 WeakPolarHBondContact O-CB 3.43Å; F779-Y782 PolarHBondContact O-N 3.5Å; Y780-Y782 VanDerWaalsContact C-N 3.28Å; Y780-Y782 PolarHBondContact O-N 2.65Å; Y782-Q784 VanDerWaalsContact C-N 3.25Å; Y782-Q784 PolarHBondContact O-N 2.85Å; Y782-S785 WeakPolarHBondContact O-CA 3.34Å; Y782-S785 PolarHBondContact O-N 3.08Å; Y782-S785 PolarHBondContact O-OG 2.98Å; Y782-E786 HydrophobicContact CD1-CG 4.44Å; Y782-E786 HydrophobicContact CE1-CG 3.93Å; Y782-E786 WeakPolarHBondContact CE1-OE1 3.17Å; Y782-E786 WeakPolarHBondContact CE1-OE2 3.13Å; Y782-E786 VanDerWaalsContact CZ-CD 3.46Å; Y782-E786 PolarHBondContact O-N 2.89Å; Y782-E786 PolarHBondContact OH-OE1 3.22Å; Y782-L977 HydrophobicContact CD2-CD1 3.9Å; Y782-L977 HydrophobicContact CD2-CD2 4.31Å; Y782-L977 HydrophobicContact CD2-CG 4.11Å; Y782-L977 HydrophobicContact CG-CD1 4.4Å; Y782-M978 VanDerWaalsContact CB-O 3.31Å; Y782-M978 WeakPolarHBondContact CB-O 3.26Å; Y782-H979 HydrophobicContact CD1-CB 3.66Å; Y782-H979 HydrophobicContact CD2-CB 3.53Å; Y782-H979 AromaticContact CD2-CD2 3.8Å; Y782-H979 AromaticContact CD2-CG 3.92Å; Y782-H979 HydrophobicContact CE1-CB 3.87Å; Y782-H979 HydrophobicContact CE2-CB 3.75Å; Y782-H979 AromaticContact CE2-CD2 3.71Å; Y782-H979 AromaticContact CE2-CG 3.78Å; Y782-H979 HydrophobicContact CG-CB 3.48Å; Y782-H979 VanDerWaalsContact CG-CB 3.48Å |
| 783 | H | 71.1 | Confident | 69.1 | Low | 37 Ų | 37 | 56.1 Ų | 56.1 | 17% | 0.171 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.2 | -40.5 | 174.6 | -174 | -49.9 | 0 | 0 | 0 | 111.5 | F779 S785 E786 S787 S793 | F779-H783 PolarHBondContact O-N 3.25Å; F779-H783 VanDerWaalsContact O-N 3.13Å; H783-S785 PolarHBondContact O-N 3.16Å; H783-E786 PolarHBondContact O-N 3.48Å; H783-S787 PolarHBondContact CE1-OG 2.96Å; H783-S787 PolarHBondContact ND1-OG 3.32Å; H783-S787 VanDerWaalsContact ND1-OG 3.1Å; H783-S787 PolarHBondContact O-N 3.24Å; H783-S787 PolarHBondContact O-OG 3.11Å; H783-S793 PolarHBondContact CE1-OG 2.61Å; H783-S793 PolarHBondContact NE2-OG 2.98Å |
| 784 | Q | 69.9 | Low | 67.6 | Low | 108 Ų | 108 | 57.1 Ų | 57.1 | 51% | 0.505 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.7 | -18 | 173.8 | -81.6 | 173.5 | 98.8 | 0 | 0 | 114.8 | Y780 Y782 | Y780-Q784 VanDerWaalsContact CD1-NE2 3.29Å; Y780-Q784 HydrophobicContact CD2-CG 4.36Å; Y780-Q784 HydrophobicContact CE1-CG 4.44Å; Y780-Q784 HydrophobicContact CE2-CG 3.85Å; Y780-Q784 VanDerWaalsContact CZ-CD 3.48Å; Y780-Q784 WeakPolarHBondContact O-CG 3.24Å; Y780-Q784 PolarHBondContact O-N 3.22Å; Y780-Q784 PolarHBondContact O-NE2 3.13Å; Y782-Q784 VanDerWaalsContact C-N 3.25Å; Y782-Q784 PolarHBondContact O-N 2.85Å |
| 785 | S | 63.1 | Low | 66.4 | Low | 51 Ų | 51 | 61.6 Ų | 61.6 | 36% | 0.357 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -97.7 | -15.8 | 176.7 | 53 | 0 | 0 | 0 | 0 | 114.4 | Y782 H783 | Y782-S785 WeakPolarHBondContact O-CA 3.34Å; Y782-S785 PolarHBondContact O-N 3.08Å; Y782-S785 PolarHBondContact O-OG 2.98Å; H783-S785 PolarHBondContact O-N 3.16Å |
| 786 | E | 56.4 | Low | 65.5 | Low | 120 Ų | 120 | 63.9 Ų | 63.9 | 56% | 0.561 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -89.3 | -48.9 | 170.6 | -68.3 | 179.9 | 136.2 | 0 | 0 | 111.5 | Y782 H783 G788 | Y782-E786 HydrophobicContact CD1-CG 4.44Å; Y782-E786 HydrophobicContact CE1-CG 3.93Å; Y782-E786 WeakPolarHBondContact CE1-OE1 3.17Å; Y782-E786 WeakPolarHBondContact CE1-OE2 3.13Å; Y782-E786 VanDerWaalsContact CZ-CD 3.46Å; Y782-E786 PolarHBondContact O-N 2.89Å; Y782-E786 PolarHBondContact OH-OE1 3.22Å; H783-E786 PolarHBondContact O-N 3.48Å; E786-G788 PolarHBondContact O-N 3.02Å |
| 787 | S | 52 | Low | 65 | Low | 40 Ų | 40 | 66.7 Ų | 66.7 | 28% | 0.28 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -80.9 | 80.1 | -174.7 | 67.4 | 0 | 0 | 0 | 0 | 111.9 | H783 E789 | H783-S787 PolarHBondContact CE1-OG 2.96Å; H783-S787 PolarHBondContact ND1-OG 3.32Å; H783-S787 VanDerWaalsContact ND1-OG 3.1Å; H783-S787 PolarHBondContact O-N 3.24Å; H783-S787 PolarHBondContact O-OG 3.11Å; S787-E789 PolarHBondContact O-N 2.92Å; S787-E789 VanDerWaalsContact O-N 3.17Å |
| 788 | G | 45.9 | Very low | 64.4 | Low | 62 Ų | 62 | 71.4 Ų | 71.4 | 64% | 0.639 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -62.8 | 109.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E786 E790 | E786-G788 PolarHBondContact O-N 3.02Å; G788-E790 PolarHBondContact O-N 2.87Å |
| 789 | E | 45.2 | Very low | 63.7 | Low | 201 Ų | 201 | 75 Ų | 75 | 94% | 0.939 | 41% | 0.408 | S | S | * | . | S | Bend | trans | 58.5 | -20.9 | 176 | -59.1 | -167.6 | 146.7 | 0 | 0 | 118.2 | S787 S791 | S787-E789 PolarHBondContact O-N 2.92Å; S787-E789 VanDerWaalsContact O-N 3.17Å; E789-S791 VanDerWaalsContact C-N 3.27Å; E789-S791 PolarHBondContact O-N 2.8Å |
| 790 | E | 43.2 | Very low | 61.9 | Low | 161 Ų | 161 | 81 Ų | 81 | 75% | 0.752 | 45% | 0.448 | S | S | * | . | trans | -74.8 | 70.7 | 173.5 | -68.4 | -159.4 | 160 | 0 | 0 | 113.4 | G788 S792 | G788-E790 PolarHBondContact O-N 2.87Å; E790-S792 PolarHBondContact O-N 2.92Å | ||
| 791 | S | 44.8 | Very low | 60.9 | Low | 87 Ų | 87 | 82.1 Ų | 82.1 | 61% | 0.608 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -64.6 | 0.7 | -179.9 | -159.8 | 0 | 0 | 0 | 0 | 115.2 | E789 S793 M795 | E789-S791 VanDerWaalsContact C-N 3.27Å; E789-S791 PolarHBondContact O-N 2.8Å; S791-S793 PolarHBondContact O-N 2.96Å; S791-M795 VanDerWaalsContact O-CE 3.27Å; S791-M795 WeakPolarHBondContact O-CE 3.4Å |
| 792 | S | 45 | Very low | 60.1 | Low | 95 Ų | 95 | 84 Ų | 84 | 66% | 0.664 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -69.4 | -28.7 | -167.2 | -162 | 0 | 0 | 0 | 0 | 114.6 | E790 L794 M795 | E790-S792 PolarHBondContact O-N 2.92Å; S792-L794 VanDerWaalsContact C-N 3.31Å; S792-L794 PolarHBondContact O-N 2.82Å; S792-M795 VanDerWaalsContact O-CG 3.27Å; S792-M795 WeakPolarHBondContact O-CG 3.24Å |
| 793 | S | 51.8 | Low | 60 | Low | 52 Ų | 52 | 85 Ų | 85 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -70.3 | -18.7 | -169.8 | 64.3 | 0 | 0 | 0 | 0 | 115.6 | H783 S791 | H783-S793 PolarHBondContact CE1-OG 2.61Å; H783-S793 PolarHBondContact NE2-OG 2.98Å; S791-S793 PolarHBondContact O-N 2.96Å |
| 794 | L | 60.5 | Low | 60.7 | Low | 21 Ų | 21 | 86.2 Ų | 86.2 | 11% | 0.11 | 51% | 0.508 | C | S | . | . | G | 310 helix | trans | -107.4 | 11.9 | -173.8 | -59.2 | -177.7 | 0 | 0 | 0 | 114.1 | Y780 S792 L809 | Y780-L794 HydrophobicContact CD2-CD1 4.23Å; Y780-L794 HydrophobicContact CE2-CD1 3.93Å; S792-L794 VanDerWaalsContact C-N 3.31Å; S792-L794 PolarHBondContact O-N 2.82Å; L794-L809 HydrophobicContact CD2-CD2 3.87Å |
| 795 | M | 64.8 | Low | 61.5 | Low | 105 Ų | 105 | 83.1 Ų | 83.1 | 52% | 0.517 | 49% | 0.491 | S | S | . | . | trans | -61.9 | 146.1 | -175.4 | -70.2 | -68.2 | 150.5 | 0 | 0 | 113.6 | S791 S792 V797 | S791-M795 VanDerWaalsContact O-CE 3.27Å; S791-M795 WeakPolarHBondContact O-CE 3.4Å; S792-M795 VanDerWaalsContact O-CG 3.27Å; S792-M795 WeakPolarHBondContact O-CG 3.24Å; M795-V797 PolarHBondContact O-N 3.5Å | ||
| 796 | L | 72.7 | Confident | 62.6 | Low | 50 Ų | 50 | 80.9 Ų | 80.9 | 26% | 0.262 | 48% | 0.475 | S | S | . | . | trans | -73.9 | 112.4 | 174.7 | -84 | 163.6 | 0 | 0 | 0 | 110.7 | Y772 N798 Q804 L843 | Y772-L796 HydrophobicContact CD1-CD1 4.07Å; Y772-L796 HydrophobicContact CD1-CG 4.48Å; Y772-L796 HydrophobicContact CD2-CD1 4.33Å; Y772-L796 HydrophobicContact CD2-CD2 3.99Å; Y772-L796 HydrophobicContact CD2-CG 3.88Å; Y772-L796 HydrophobicContact CE1-CD1 3.64Å; Y772-L796 HydrophobicContact CE1-CG 4.24Å; Y772-L796 HydrophobicContact CE2-CD1 3.95Å; Y772-L796 HydrophobicContact CE2-CD2 4.27Å; Y772-L796 HydrophobicContact CE2-CG 3.63Å; Y772-L796 HydrophobicContact CG-CD1 4.39Å; Y772-L796 HydrophobicContact CG-CD2 4.16Å; Y772-L796 HydrophobicContact CG-CG 4.31Å; L796-N798 PolarHBondContact O-N 3.1Å; L796-Q804 HydrophobicContact CD2-CB 4.15Å; L796-L843 HydrophobicContact CD2-CD1 3.56Å | ||
| 797 | V | 78.8 | Confident | 64 | Low | 59 Ų | 59 | 81.3 Ų | 81.3 | 36% | 0.358 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 108.4 | 172.6 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | M795 R799 W805 | M795-V797 PolarHBondContact O-N 3.5Å; V797-R799 HydrophobicContact CG1-CG 4.06Å; V797-W805 HydrophobicContact CB-CB 4.27Å; V797-W805 PolarHBondContact N-O 3.32Å; V797-W805 PolarHBondContact O-N 2.8Å |
| 798 | N | 76.4 | Confident | 65.7 | Low | 107 Ų | 107 | 80.9 Ų | 80.9 | 57% | 0.572 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 108.7 | 171.1 | -61.9 | -47.5 | 0 | 0 | 0 | 108.6 | L796 Q804 | L796-N798 PolarHBondContact O-N 3.1Å; N798-Q804 WeakPolarHBondContact OD1-CG 3.33Å; N798-Q804 PolarHBondContact OD1-NE2 3.42Å |
| 799 | R | 72.3 | Confident | 67.6 | Low | 77 Ų | 77 | 79.3 Ų | 79.3 | 29% | 0.291 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 160.8 | 175.9 | -67.9 | -168.8 | -179.6 | 177.1 | -0.4 | 110.7 | V797 G801 G802 R803 W805 D838 T840 | V797-R799 HydrophobicContact CG1-CG 4.06Å; R799-G801 PolarHBondContact O-N 3.48Å; R799-G802 PolarHBondContact O-N 3.16Å; R799-R803 PolarHBondContact N-O 3.45Å; R799-R803 VanDerWaalsContact N-O 3.08Å; R799-W805 HydrophobicContact CG-CG 4.4Å; R799-D838 IonicContact CZ-OD2 2.9Å; R799-D838 IonicContact NH2-OD1 2.66Å; R799-D838 PolarHBondContact NH2-OD1 3.07Å; R799-D838 IonicContact NH2-OD2 2.69Å; R799-D838 PolarHBondContact NH2-OD2 3.08Å; R799-T840 PolarHBondContact NH2-OG1 3.37Å; R799-T840 VanDerWaalsContact NH2-OG1 3.12Å |
| 800 | P | 50.5 | Low | 69.6 | Low | 132 Ų | 132 | 70.2 Ų | 70.2 | 86% | 0.857 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | 139.9 | 175.9 | -29.3 | 36.6 | 0 | 0 | 0 | 112.5 | ||
| 801 | G | 60.7 | Low | 71.5 | Confident | 73 Ų | 73 | 64.7 Ų | 64.7 | 75% | 0.753 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | 14 | -170 | 0 | 0 | 0 | 0 | 0 | 115 | R799 R803 | R799-G801 PolarHBondContact O-N 3.48Å; G801-R803 PolarHBondContact O-N 2.95Å; G801-R803 VanDerWaalsContact O-N 3.15Å |
| 802 | G | 62.2 | Low | 73.2 | Confident | 65 Ų | 65 | 62.9 Ų | 62.9 | 67% | 0.67 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | 4.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | R799 | R799-G802 PolarHBondContact O-N 3.16Š|
| 803 | R | 73.3 | Confident | 74.8 | Confident | 83 Ų | 83 | 64 Ų | 64 | 31% | 0.313 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 128.9 | -175.9 | -67.4 | 164.5 | 173.5 | -164.2 | -9 | 110.1 | R799 G801 E866 | R799-R803 PolarHBondContact N-O 3.45Å; R799-R803 VanDerWaalsContact N-O 3.08Å; G801-R803 PolarHBondContact O-N 2.95Å; G801-R803 VanDerWaalsContact O-N 3.15Å; R803-E866 IonicContact CZ-OE1 2.97Å; R803-E866 IonicContact CZ-OE2 3.05Å; R803-E866 IonicContact NH1-OE1 3.84Å; R803-E866 PolarHBondContact NH1-OE1 2.85Å; R803-E866 IonicContact NH1-OE2 2.93Å; R803-E866 PolarHBondContact NH1-OE2 3.42Å; R803-E866 IonicContact NH2-OE1 2.65Å; R803-E866 PolarHBondContact NH2-OE1 3.02Å; R803-E866 IonicContact NH2-OE2 3.49Å; R803-E866 PolarHBondContact NH2-OE2 2.81Å |
| 804 | Q | 84.6 | Confident | 76.1 | Confident | 62 Ų | 62 | 61.8 Ų | 61.8 | 29% | 0.29 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 138.9 | -175.5 | -58.5 | -154.6 | -56.3 | 0 | 0 | 112.7 | L796 N798 L843 | L796-Q804 HydrophobicContact CD2-CB 4.15Å; N798-Q804 WeakPolarHBondContact OD1-CG 3.33Å; N798-Q804 PolarHBondContact OD1-NE2 3.42Å; Q804-L843 PolarHBondContact O-N 2.81Å |
| 805 | W | 87.3 | Confident | 77.1 | Confident | 43 Ų | 43 | 60.9 Ų | 60.9 | 16% | 0.163 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 152.4 | -178.8 | -62.1 | 68.4 | 0 | 0 | 0 | 110.4 | V797 R799 A836 S841 R842 | V797-W805 HydrophobicContact CB-CB 4.27Å; V797-W805 PolarHBondContact N-O 3.32Å; V797-W805 PolarHBondContact O-N 2.8Å; R799-W805 HydrophobicContact CG-CG 4.4Å; W805-A836 HydrophobicContact CZ3-CB 3.94Å; W805-S841 WeakPolarHBondContact CA-O 3.37Å; W805-R842 HydrophobicContact CD2-CB 4.04Å; W805-R842 HydrophobicContact CE3-CB 4.17Å; W805-R842 VanDerWaalsContact CE3-N 3.33Å; W805-R842 HydrophobicContact CH2-CB 3.98Å; W805-R842 HydrophobicContact CZ2-CB 3.87Å; W805-R842 HydrophobicContact CZ2-CG 4.28Å; W805-R842 HydrophobicContact CZ3-CB 4.14Å |
| 806 | S | 87.4 | Confident | 77.3 | Confident | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 171.3 | 165.2 | 68.2 | 0 | 0 | 0 | 0 | 110 | P771 S841 H854 | P771-S806 PolarHBondContact O-OG 3.3Å; S806-S841 PolarHBondContact N-O 2.91Å; S806-S841 PolarHBondContact O-N 3.3Å; S806-H854 PolarHBondContact O-NE2 2.97Å; S806-H854 PolarHBondContact OG-CE1 2.99Å; S806-H854 PolarHBondContact OG-NE2 3.41Å |
| 807 | R | 85.3 | Confident | 76.6 | Confident | 129 Ų | 129 | 59 Ų | 59 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | trans | -74.9 | 130.6 | 177.7 | -52.9 | -167.2 | 108.3 | 172.2 | 8.1 | 110.5 | D838 T840 H854 | R807-D838 PolarHBondContact NH2-O 3.06Å; R807-T840 HydrophobicContact CG-CG2 4.13Å; R807-H854 PolarHBondContact O-CE1 2.99Å | ||
| 808 | P | 87.2 | Confident | 75.1 | Confident | 31 Ų | 31 | 60.6 Ų | 60.6 | 20% | 0.201 | 34% | 0.336 | C | S | . | . | trans | -72.5 | 133.8 | 173.2 | 30.1 | -32.8 | 0 | 0 | 0 | 110.2 | V835 | P808-V835 HydrophobicContact CG-CG2 4.24Š| ||
| 809 | L | 85.9 | Confident | 73.4 | Confident | 30 Ų | 30 | 58.8 Ų | 58.8 | 16% | 0.157 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -81.4 | -13.9 | 177 | -68.9 | -175.8 | 0 | 0 | 0 | 113.6 | P771 C776 F779 Y780 L794 P811 | P771-L809 HydrophobicContact CB-CD1 3.79Å; P771-L809 HydrophobicContact CB-CG 4.14Å; P771-L809 HydrophobicContact CG-CD1 4.01Å; C776-L809 HydrophobicContact CB-CB 3.92Å; C776-L809 HydrophobicContact CB-CD1 4.48Å; C776-L809 HydrophobicContact CB-CG 4.29Å; C776-L809 PolarHBondContact SG-N 3.49Å; F779-L809 WeakPolarHBondContact CD2-O 3.46Å; Y780-L809 HydrophobicContact CD2-CD1 4.2Å; L794-L809 HydrophobicContact CD2-CD2 3.87Å; L809-P811 WeakPolarHBondContact O-CD 3.21Å |
| 810 | I | 86.1 | Confident | 71.7 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 5% | 0.051 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -92.1 | 114.5 | -177.6 | -49.3 | -57 | 0 | 0 | 0 | 109.9 | I775 L778 F779 C814 F815 I909 | I775-I810 HydrophobicContact CG2-CG1 4.18Å; L778-I810 HydrophobicContact CB-CD1 4.09Å; L778-I810 HydrophobicContact CD2-CD1 4.37Å; F779-I810 HydrophobicContact CD2-CD1 3.56Å; F779-I810 HydrophobicContact CE2-CD1 3.7Å; F779-I810 HydrophobicContact CE2-CG2 4.5Å; F779-I810 HydrophobicContact CG-CD1 4.36Å; I810-C814 HydrophobicContact CG2-CB 3.62Å; I810-F815 HydrophobicContact CB-CE2 4.19Å; I810-F815 HydrophobicContact CB-CZ 4.18Å; I810-F815 HydrophobicContact CG2-CD2 4.39Å; I810-F815 HydrophobicContact CG2-CE1 4.46Å; I810-F815 HydrophobicContact CG2-CE2 3.52Å; I810-F815 HydrophobicContact CG2-CZ 3.57Å; I810-I909 HydrophobicContact CG2-CD1 4.09Å |
| 811 | P | 84 | Confident | 71.1 | Confident | 45 Ų | 45 | 65 Ų | 65 | 29% | 0.292 | 36% | 0.357 | S | S | . | . | trans | -63.5 | 152.9 | 173.1 | -23.8 | 36.1 | 0 | 0 | 0 | 112.9 | L809 M813 C814 P980 | L809-P811 WeakPolarHBondContact O-CD 3.21Å; P811-M813 VanDerWaalsContact C-N 3.26Å; P811-M813 HydrophobicContact CB-CG 3.72Å; P811-M813 HydrophobicContact CB-SD 4.45Å; P811-M813 PolarHBondContact O-N 2.82Å; P811-C814 VanDerWaalsContact O-CB 3.31Å; P811-C814 WeakPolarHBondContact O-CB 3.43Å; P811-C814 PolarHBondContact O-N 2.86Å; P811-P980 HydrophobicContact CG-CB 4.12Å; P811-P980 HydrophobicContact CG-CG 4.21Å | ||
| 812 | E | 81.3 | Confident | 69.5 | Low | 49 Ų | 49 | 66.5 Ų | 66.5 | 23% | 0.229 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -61.7 | -34.1 | -177.7 | -170.4 | 56.8 | -154 | 0 | 0 | 113.1 | C814 F815 N832 R922 | E812-C814 PolarHBondContact O-N 2.72Å; E812-C814 VanDerWaalsContact O-N 3.14Å; E812-F815 PolarHBondContact O-N 3Å; E812-N832 HydrophobicContact CG-CB 4.46Å; E812-N832 PolarHBondContact OE2-ND2 2.87Å; E812-R922 VanDerWaalsContact CD-NH2 3.33Å; E812-R922 IonicContact OE1-CZ 3.62Å; E812-R922 IonicContact OE1-NH1 2.77Å; E812-R922 PolarHBondContact OE1-NH1 3.01Å; E812-R922 IonicContact OE1-NH2 3.45Å; E812-R922 PolarHBondContact OE1-NH2 2.83Å; E812-R922 VanDerWaalsContact OE1-NH2 3.13Å; E812-R922 IonicContact OE2-CZ 2.94Å; E812-R922 IonicContact OE2-NH1 3.29Å; E812-R922 IonicContact OE2-NH2 3.92Å; E812-R922 PolarHBondContact OE2-NH2 3.46Å |
| 813 | M | 77.8 | Confident | 68.3 | Low | 119 Ų | 119 | 71.4 Ų | 71.4 | 59% | 0.586 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -55.8 | -26.6 | 174.1 | 55.3 | 174.6 | 70.9 | 0 | 0 | 113.7 | P811 F815 N816 | P811-M813 VanDerWaalsContact C-N 3.26Å; P811-M813 HydrophobicContact CB-CG 3.72Å; P811-M813 HydrophobicContact CB-SD 4.45Å; P811-M813 PolarHBondContact O-N 2.82Å; M813-F815 PolarHBondContact O-N 2.89Å; M813-N816 PolarHBondContact O-N 3.11Å |
| 814 | C | 79.8 | Confident | 66.2 | Low | 5 Ų | 5 | 73.9 Ų | 73.9 | 3% | 0.034 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -68.9 | -10.2 | 177.1 | -64 | 0 | 0 | 0 | 0 | 114.3 | I810 P811 E812 I909 V986 | I810-C814 HydrophobicContact CG2-CB 3.62Å; P811-C814 VanDerWaalsContact O-CB 3.31Å; P811-C814 WeakPolarHBondContact O-CB 3.43Å; P811-C814 PolarHBondContact O-N 2.86Å; E812-C814 PolarHBondContact O-N 2.72Å; E812-C814 VanDerWaalsContact O-N 3.14Å; C814-I909 HydrophobicContact CB-CG2 3.92Å; C814-V986 HydrophobicContact CB-CG1 4.28Å |
| 815 | F | 81.8 | Confident | 63.8 | Low | 1 Ų | 1 | 75.2 Ų | 75.2 | 0% | 0.004 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -21.7 | 174.6 | -55.1 | -77.6 | 0 | 0 | 0 | 112.8 | I810 E812 M813 T817 C857 V905 I909 F916 I919 R922 | I810-F815 HydrophobicContact CB-CE2 4.19Å; I810-F815 HydrophobicContact CB-CZ 4.18Å; I810-F815 HydrophobicContact CG2-CD2 4.39Å; I810-F815 HydrophobicContact CG2-CE1 4.46Å; I810-F815 HydrophobicContact CG2-CE2 3.52Å; I810-F815 HydrophobicContact CG2-CZ 3.57Å; E812-F815 PolarHBondContact O-N 3Å; M813-F815 PolarHBondContact O-N 2.89Å; F815-T817 PolarHBondContact O-N 3.45Å; F815-T817 PolarHBondContact O-OG1 2.96Å; F815-C857 HydrophobicContact CZ-CB 4.39Å; F815-V905 HydrophobicContact CE1-CG1 4.12Å; F815-I909 HydrophobicContact CD1-CD1 4.46Å; F815-I909 HydrophobicContact CD1-CG1 4.27Å; F815-I909 HydrophobicContact CE1-CD1 3.72Å; F815-I909 HydrophobicContact CE1-CG1 4.01Å; F815-I909 HydrophobicContact CZ-CD1 4.11Å; F815-F916 HydrophobicContact CB-CD2 4.23Å; F815-F916 HydrophobicContact CD1-CD2 4.22Å; F815-F916 AromaticContact CD1-CE2 3.78Å; F815-F916 HydrophobicContact CD1-CE2 3.78Å; F815-F916 AromaticContact CD1-CZ 3.97Å; F815-F916 HydrophobicContact CD1-CZ 3.97Å; F815-F916 HydrophobicContact CE1-CZ 4.46Å; F815-F916 WeakPolarHBondContact O-CD2 3.32Å; F815-I919 HydrophobicContact CB-CG2 4.27Å; F815-R922 VanDerWaalsContact CB-NH1 3.33Å; F815-R922 VanDerWaalsContact CG-CZ 3.44Å |
| 816 | N | 69.1 | Low | 61.1 | Low | 79 Ų | 79 | 79.2 Ų | 79.2 | 42% | 0.422 | 44% | 0.442 | S | S | . | . | trans | -78.5 | 94.2 | -174.8 | -167.2 | 4.7 | 0 | 0 | 0 | 111.5 | M813 H818 I919 | M813-N816 PolarHBondContact O-N 3.11Å; N816-H818 PolarHBondContact OD1-O 3.38Å; N816-I919 HydrophobicContact CB-CD1 4.47Å; N816-I919 VanDerWaalsContact OD1-CD1 3.31Å; N816-I919 WeakPolarHBondContact OD1-CD1 3.42Å | ||
| 817 | T | 56.2 | Low | 58.9 | Low | 38 Ų | 38 | 88.7 Ų | 88.7 | 23% | 0.233 | 49% | 0.486 | C | S | . | . | trans | -114.5 | 21.9 | -170.3 | 41 | 0 | 0 | 0 | 0 | 113 | F815 R915 F916 | F815-T817 PolarHBondContact O-N 3.45Å; F815-T817 PolarHBondContact O-OG1 2.96Å; T817-R915 VanDerWaalsContact O-CZ 3.31Å; T817-R915 PolarHBondContact O-NE 2.8Å; T817-R915 PolarHBondContact O-NH2 2.84Å; T817-R915 WeakPolarHBondContact OG1-CA 3.38Å; T817-F916 PolarHBondContact OG1-N 2.73Å | ||
| 818 | H | 48.7 | Very low | 56.5 | Low | 92 Ų | 92 | 85.8 Ų | 85.8 | 43% | 0.426 | 50% | 0.496 | S | S | . | . | trans | -143.8 | 156.5 | -179.5 | -88.5 | -105.8 | 0 | 0 | 0 | 110.1 | N816 R915 | N816-H818 PolarHBondContact OD1-O 3.38Å; H818-R915 PolarHBondContact CD2-NH2 3.1Å; H818-R915 PolarHBondContact ND1-NH2 3.1Å; H818-R915 PolarHBondContact NE2-NE 2.94Å; H818-R915 PolarHBondContact NE2-NH2 2.87Å | ||
| 819 | S | 40.6 | Very low | 54.1 | Low | 68 Ų | 68 | 92.2 Ų | 92.2 | 48% | 0.476 | 52% | 0.524 | S | S | . | . | cis | -141.8 | 157.6 | 3 | 70.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 820 | A | 37 | Very low | 52.3 | Low | 92 Ų | 92 | 98 Ų | 98 | 76% | 0.76 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -100.9 | 139.4 | 141.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||
| 821 | R | 36.9 | Very low | 50.5 | Low | 247 Ų | 247 | 100.6 Ų | 100.6 | 93% | 0.932 | 57% | 0.573 | S | S | * | * | trans | 65.9 | 75.6 | 179.2 | -52.7 | -178 | -179.2 | -172 | 0.3 | 116.8 | ||||
| 822 | T | 26.6 | Very low | 49.4 | Very low | 106 Ų | 106 | 99.9 Ų | 99.9 | 65% | 0.65 | 57% | 0.566 | S | S | * | * | trans | -130.4 | 127.4 | 133.2 | 44.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 823 | N | 36.7 | Very low | 48.4 | Very low | 167 Ų | 167 | 102 Ų | 102 | 89% | 0.893 | 59% | 0.585 | S | S | * | * | trans | -110.2 | 35.3 | -172.3 | -157.3 | 61.8 | 0 | 0 | 0 | 111.6 | ||||
| 824 | D | 29.6 | Very low | 47.9 | Very low | 136 Ų | 136 | 97.8 Ų | 97.8 | 73% | 0.727 | 56% | 0.564 | S | S | * | * | trans | -109.1 | 125.4 | -179.5 | -64.9 | -64.2 | 0 | 0 | 0 | 109.4 | V826 | D824-V826 PolarHBondContact O-N 2.77Š| ||
| 825 | G | 35.1 | Very low | 47.8 | Very low | 90 Ų | 90 | 99.9 Ų | 99.9 | 93% | 0.928 | 58% | 0.576 | S | S | * | * | trans | -78.6 | 77 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 826 | V | 30.3 | Very low | 47.5 | Very low | 127 Ų | 127 | 101.1 Ų | 101.1 | 77% | 0.77 | 59% | 0.587 | S | S | * | * | trans | -117.4 | 121.8 | 169.4 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | D824 G828 | D824-V826 PolarHBondContact O-N 2.77Å; V826-G828 PolarHBondContact O-N 2.62Å | ||
| 827 | Q | 41.3 | Very low | 47.4 | Very low | 201 Ų | 201 | 107.4 Ų | 107.4 | 94% | 0.939 | 61% | 0.613 | S | S | * | * | trans | -71.2 | 97.7 | 175.4 | -70.1 | 169.8 | -71.2 | 0 | 0 | 109.7 | Q829 | Q827-Q829 PolarHBondContact O-N 2.66Š| ||
| 828 | G | 34.5 | Very low | 48 | Very low | 69 Ų | 69 | 108.8 Ų | 108.8 | 71% | 0.711 | 62% | 0.619 | S | S | * | * | trans | -79.4 | 103.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.1 | V826 | V826-G828 PolarHBondContact O-N 2.62Š| ||
| 829 | Q | 37.7 | Very low | 49.2 | Very low | 166 Ų | 166 | 105.6 Ų | 105.6 | 78% | 0.776 | 61% | 0.611 | S | S | * | * | trans | -58.9 | 131.4 | -177.7 | -140.3 | 164.4 | -86 | 0 | 0 | 113.3 | Q827 S831 | Q827-Q829 PolarHBondContact O-N 2.66Å; Q829-S831 WeakPolarHBondContact CG-OG 3.33Å; Q829-S831 PolarHBondContact NE2-OG 3.42Å; Q829-S831 PolarHBondContact O-N 2.89Å; Q829-S831 VanDerWaalsContact O-N 3.14Å | ||
| 830 | L | 46.7 | Very low | 51.2 | Low | 152 Ų | 152 | 102.7 Ų | 102.7 | 80% | 0.796 | 59% | 0.591 | S | S | * | * | trans | -76.9 | 16.4 | 172.3 | -74.1 | 175.4 | 0 | 0 | 0 | 113.9 | ||||
| 831 | S | 48.5 | Very low | 53.6 | Low | 64 Ų | 64 | 98.3 Ų | 98.3 | 45% | 0.448 | 55% | 0.554 | S | S | . | * | trans | -84.2 | 115.4 | 179.6 | 57.7 | 0 | 0 | 0 | 0 | 111.4 | Q829 P833 | Q829-S831 WeakPolarHBondContact CG-OG 3.33Å; Q829-S831 PolarHBondContact NE2-OG 3.42Å; Q829-S831 PolarHBondContact O-N 2.89Å; Q829-S831 VanDerWaalsContact O-N 3.14Å; S831-P833 VanDerWaalsContact O-CD 3.32Å; S831-P833 WeakPolarHBondContact O-CD 3.34Å | ||
| 832 | N | 60.7 | Low | 56 | Low | 29 Ų | 29 | 87.7 Ų | 87.7 | 16% | 0.155 | 51% | 0.514 | C | S | . | . | trans | -73.2 | 115.1 | 168.7 | -178.8 | -38.4 | 0 | 0 | 0 | 109.7 | E812 H834 V835 R922 | E812-N832 HydrophobicContact CG-CB 4.46Å; E812-N832 PolarHBondContact OE2-ND2 2.87Å; N832-H834 PolarHBondContact O-N 3.3Å; N832-H834 VanDerWaalsContact O-N 3.13Å; N832-H834 WeakPolarHBondContact OD1-CA 3.3Å; N832-H834 WeakPolarHBondContact OD1-CB 3.39Å; N832-H834 PolarHBondContact OD1-N 2.82Å; N832-V835 HydrophobicContact CB-CG2 4.17Å; N832-R922 PolarHBondContact ND2-NH2 2.77Å | ||
| 833 | P | 61.3 | Low | 59 | Low | 94 Ų | 94 | 83.2 Ų | 83.2 | 61% | 0.61 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | 6.6 | -175.5 | 33.9 | -36.8 | 0 | 0 | 0 | 114.1 | S831 T920 | S831-P833 VanDerWaalsContact O-CD 3.32Å; S831-P833 WeakPolarHBondContact O-CD 3.34Å; P833-T920 HydrophobicContact CG-CG2 4.22Å |
| 834 | H | 67.3 | Low | 61.5 | Low | 31 Ų | 31 | 75.8 Ų | 75.8 | 14% | 0.144 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | 11 | -176.8 | -50.8 | -44.4 | 0 | 0 | 0 | 112.5 | N832 S841 | N832-H834 PolarHBondContact O-N 3.3Å; N832-H834 VanDerWaalsContact O-N 3.13Å; N832-H834 WeakPolarHBondContact OD1-CA 3.3Å; N832-H834 WeakPolarHBondContact OD1-CB 3.39Å; N832-H834 PolarHBondContact OD1-N 2.82Å; H834-S841 PolarHBondContact O-OG 3.41Å |
| 835 | V | 77.8 | Confident | 64.4 | Low | 48 Ų | 48 | 72.1 Ų | 72.1 | 29% | 0.291 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -113.9 | 133 | 169.7 | 179.7 | 0 | 0 | 0 | 0 | 107.5 | P808 N832 T840 | P808-V835 HydrophobicContact CG-CG2 4.24Å; N832-V835 HydrophobicContact CB-CG2 4.17Å; V835-T840 WeakPolarHBondContact CA-O 3.34Å |
| 836 | A | 75.8 | Confident | 67.1 | Low | 28 Ų | 28 | 67.9 Ų | 67.9 | 23% | 0.231 | 39% | 0.388 | C | S | . | . | trans | -78.5 | 165.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | W805 D838 G839 T840 | W805-A836 HydrophobicContact CZ3-CB 3.94Å; A836-D838 WeakPolarHBondContact CB-OD1 3.16Å; A836-D838 PolarHBondContact O-N 2.96Å; A836-G839 WeakPolarHBondContact O-CA 3.05Å; A836-G839 PolarHBondContact O-N 2.82Å; A836-T840 PolarHBondContact N-O 3.15Å | ||
| 837 | E | 66.6 | Low | 70 | Confident | 211 Ų | 211 | 64 Ų | 64 | 99% | 0.986 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -20.5 | -175.5 | -61.5 | 176 | 167 | 0 | 0 | 114.1 | G839 | E837-G839 VanDerWaalsContact C-N 3.28Å; E837-G839 PolarHBondContact O-N 3.06Å |
| 838 | D | 68.4 | Low | 72.2 | Confident | 66 Ų | 66 | 58.2 Ų | 58.2 | 35% | 0.353 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -0.5 | 172.5 | 68 | -14.6 | 0 | 0 | 0 | 114.1 | R799 R807 A836 T840 | R799-D838 IonicContact CZ-OD2 2.9Å; R799-D838 IonicContact NH2-OD1 2.66Å; R799-D838 PolarHBondContact NH2-OD1 3.07Å; R799-D838 IonicContact NH2-OD2 2.69Å; R799-D838 PolarHBondContact NH2-OD2 3.08Å; R807-D838 PolarHBondContact NH2-O 3.06Å; A836-D838 WeakPolarHBondContact CB-OD1 3.16Å; A836-D838 PolarHBondContact O-N 2.96Å; D838-T840 VanDerWaalsContact C-N 3.35Å; D838-T840 VanDerWaalsContact CG-OG1 3.27Å; D838-T840 WeakPolarHBondContact OD1-CB 3.3Å; D838-T840 PolarHBondContact OD1-N 2.96Å; D838-T840 PolarHBondContact OD1-OG1 3.39Å; D838-T840 WeakPolarHBondContact OD2-CG2 3.15Å; D838-T840 PolarHBondContact OD2-OG1 2.83Å; D838-T840 VanDerWaalsContact OD2-OG1 3.13Å |
| 839 | G | 73.6 | Confident | 74.8 | Confident | 25 Ų | 25 | 55.1 Ų | 55.1 | 26% | 0.258 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 74.6 | 20.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | A836 E837 | A836-G839 WeakPolarHBondContact O-CA 3.05Å; A836-G839 PolarHBondContact O-N 2.82Å; E837-G839 VanDerWaalsContact C-N 3.28Å; E837-G839 PolarHBondContact O-N 3.06Å |
| 840 | T | 83.8 | Confident | 77.4 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 4% | 0.043 | 29% | 0.294 | C | S | . | . | trans | -99.4 | 157.3 | 171.6 | 68.7 | 0 | 0 | 0 | 0 | 111.9 | R799 R807 V835 A836 D838 | R799-T840 PolarHBondContact NH2-OG1 3.37Å; R799-T840 VanDerWaalsContact NH2-OG1 3.12Å; R807-T840 HydrophobicContact CG-CG2 4.13Å; V835-T840 WeakPolarHBondContact CA-O 3.34Å; A836-T840 PolarHBondContact N-O 3.15Å; D838-T840 VanDerWaalsContact C-N 3.35Å; D838-T840 VanDerWaalsContact CG-OG1 3.27Å; D838-T840 WeakPolarHBondContact OD1-CB 3.3Å; D838-T840 PolarHBondContact OD1-N 2.96Å; D838-T840 PolarHBondContact OD1-OG1 3.39Å; D838-T840 WeakPolarHBondContact OD2-CG2 3.15Å; D838-T840 PolarHBondContact OD2-OG1 2.83Å; D838-T840 VanDerWaalsContact OD2-OG1 3.13Å | ||
| 841 | S | 86.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 152.4 | 171.8 | -170.3 | 0 | 0 | 0 | 0 | 110.6 | W805 S806 H834 H854 T855 S856 | W805-S841 WeakPolarHBondContact CA-O 3.37Å; S806-S841 PolarHBondContact N-O 2.91Å; S806-S841 PolarHBondContact O-N 3.3Å; H834-S841 PolarHBondContact O-OG 3.41Å; S841-H854 PolarHBondContact O-CD2 2.79Å; S841-T855 PolarHBondContact OG-OG1 3.01Å; S841-S856 WeakPolarHBondContact CB-OG 3.45Å; S841-S856 WeakPolarHBondContact OG-CB 3.37Å; S841-S856 PolarHBondContact OG-N 2.81Å; S841-S856 PolarHBondContact OG-OG 3.14Å; S841-S856 VanDerWaalsContact OG-OG 3.14Å |
| 842 | R | 87.4 | Confident | 81.6 | Confident | 24 Ų | 24 | 43.6 Ų | 43.6 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 133.6 | -176.4 | -176 | 175.8 | 175.1 | 173.8 | -1.3 | 109.7 | W805 I844 H854 T855 A865 E866 | W805-R842 HydrophobicContact CD2-CB 4.04Å; W805-R842 HydrophobicContact CE3-CB 4.17Å; W805-R842 VanDerWaalsContact CE3-N 3.33Å; W805-R842 HydrophobicContact CH2-CB 3.98Å; W805-R842 HydrophobicContact CZ2-CB 3.87Å; W805-R842 HydrophobicContact CZ2-CG 4.28Å; W805-R842 HydrophobicContact CZ3-CB 4.14Å; R842-I844 HydrophobicContact CG-CG2 4.37Å; R842-H854 WeakPolarHBondContact O-CA 3.46Å; R842-T855 HydrophobicContact CB-CG2 4.11Å; R842-T855 PolarHBondContact O-N 3.13Å; R842-A865 PolarHBondContact NH1-O 3.46Å; R842-A865 PolarHBondContact NH2-O 2.93Å; R842-E866 IonicContact NH1-OE1 3.14Å; R842-E866 PolarHBondContact NH1-OE1 3.26Å |
| 843 | L | 88.9 | Confident | 83.1 | Confident | 12 Ų | 12 | 42.3 Ų | 42.3 | 6% | 0.063 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 127.4 | 173 | -70 | 164.9 | 0 | 0 | 0 | 110 | Y772 C773 L796 Q804 V853 | Y772-L843 HydrophobicContact CG-CD1 4.4Å; C773-L843 HydrophobicContact CB-CD2 4.19Å; L796-L843 HydrophobicContact CD2-CD1 3.56Å; Q804-L843 PolarHBondContact O-N 2.81Å; L843-V853 WeakPolarHBondContact CA-O 3.41Å |
| 844 | I | 90.3 | Very high | 84.5 | Confident | 12 Ų | 12 | 37.8 Ų | 37.8 | 6% | 0.062 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 150.6 | 175.8 | 59.5 | 177.1 | 0 | 0 | 0 | 110.2 | R842 R852 V853 T855 V860 A865 W870 | R842-I844 HydrophobicContact CG-CG2 4.37Å; I844-R852 VanDerWaalsContact O-CA 3.32Å; I844-R852 WeakPolarHBondContact O-CA 3.31Å; I844-R852 WeakPolarHBondContact O-CG 3.37Å; I844-V853 HydrophobicContact CD1-CG2 4.08Å; I844-V853 HydrophobicContact CG1-CG2 3.66Å; I844-V853 PolarHBondContact N-O 2.82Å; I844-V853 PolarHBondContact O-N 2.92Å; I844-T855 HydrophobicContact CD1-CG2 4.07Å; I844-T855 HydrophobicContact CG1-CG2 4.47Å; I844-T855 HydrophobicContact CG2-CG2 4.11Å; I844-V860 HydrophobicContact CD1-CB 4Å; I844-V860 HydrophobicContact CD1-CG1 3.96Å; I844-V860 HydrophobicContact CD1-CG2 3.81Å; I844-A865 HydrophobicContact CG2-CB 4.16Å; I844-W870 HydrophobicContact CB-CE3 4.33Å; I844-W870 HydrophobicContact CD1-CD2 3.8Å; I844-W870 HydrophobicContact CD1-CE3 4.01Å; I844-W870 HydrophobicContact CD1-CG 4.41Å; I844-W870 HydrophobicContact CD1-CH2 3.95Å; I844-W870 HydrophobicContact CD1-CZ2 3.73Å; I844-W870 HydrophobicContact CD1-CZ3 4.09Å; I844-W870 HydrophobicContact CG1-CD2 4.38Å; I844-W870 HydrophobicContact CG1-CE3 4.14Å; I844-W870 HydrophobicContact CG1-CH2 4.36Å; I844-W870 HydrophobicContact CG1-CZ3 4.12Å |
| 845 | S | 90.9 | Very high | 85.5 | Confident | 59 Ų | 59 | 36.8 Ų | 36.8 | 41% | 0.413 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 130.7 | -176.4 | -61.8 | 0 | 0 | 0 | 0 | 109.9 | A847 V851 R852 | S845-A847 PolarHBondContact O-N 3.17Å; S845-V851 WeakPolarHBondContact CA-O 3.11Å; S845-R852 WeakPolarHBondContact OG-CG 3.48Å |
| 846 | C | 91.7 | Very high | 86 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | trans | -70.6 | 125.7 | 177.9 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | Q848 C849 Y850 V851 W870 C872 | C846-Q848 PolarHBondContact O-N 2.77Å; C846-C849 VanDerWaalsContact SG-SG 3.65Å; C846-Y850 VanDerWaalsContact O-CA 3.22Å; C846-Y850 WeakPolarHBondContact O-CA 3.45Å; C846-Y850 PolarHBondContact O-N 3.12Å; C846-V851 HydrophobicContact CB-CG1 3.78Å; C846-V851 PolarHBondContact N-O 3.18Å; C846-W870 WeakPolarHBondContact CA-O 3.43Å; C846-W870 HydrophobicContact CB-CE3 4.11Å; C846-W870 HydrophobicContact CB-CZ3 3.87Å; C846-C872 HydrophobicContact CB-CB 4.16Å; C846-C872 PolarHBondContact SG-N 3.04Å; C846-C872 VanDerWaalsContact SG-N 3.45Å | ||
| 847 | A | 89.6 | Confident | 86.6 | Confident | 46 Ų | 46 | 33.2 Ų | 33.2 | 38% | 0.38 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -27.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S845 W870 L871 | S845-A847 PolarHBondContact O-N 3.17Å; A847-W870 PolarHBondContact N-O 3.18Å; A847-L871 HydrophobicContact CB-CD2 4.17Å |
| 848 | Q | 88.4 | Confident | 87.7 | Confident | 79 Ų | 79 | 23.5 Ų | 23.5 | 37% | 0.369 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -34 | -175 | -170.3 | -173.2 | 19.7 | 0 | 0 | 114.6 | W760 C846 L871 C875 | W760-Q848 PolarHBondContact NE1-O 2.9Å; C846-Q848 PolarHBondContact O-N 2.77Å; Q848-L871 HydrophobicContact CB-CD2 3.91Å; Q848-C875 HydrophobicContact CB-CB 4.29Å; Q848-C875 PolarHBondContact OE1-SG 2.99Å |
| 849 | C | 89.4 | Confident | 88.6 | Confident | 4 Ų | 4 | 20.9 Ų | 20.9 | 3% | 0.027 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | 5.6 | -178.4 | 71.9 | 0 | 0 | 0 | 0 | 114.9 | N763 C846 V851 C872 | N763-C849 WeakPolarHBondContact CB-O 3.42Å; N763-C849 PolarHBondContact ND2-O 3.4Å; C846-C849 VanDerWaalsContact SG-SG 3.65Å; C849-V851 PolarHBondContact O-N 3.47Å; C849-C872 VanDerWaalsContact SG-SG 3.61Å |
| 850 | Y | 91.3 | Very high | 89.1 | Confident | 114 Ų | 114 | 19.9 Ų | 19.9 | 45% | 0.447 | 11% | 0.107 | S | C | . | . | trans | 57 | 13.1 | 177.1 | -51.9 | -71.4 | 0 | 0 | 0 | 116 | W760 C846 R852 | W760-Y850 HydrophobicContact CB-CD2 3.84Å; W760-Y850 HydrophobicContact CB-CE2 4.3Å; W760-Y850 HydrophobicContact CD2-CE2 4.49Å; W760-Y850 HydrophobicContact CG-CD2 4.05Å; W760-Y850 HydrophobicContact CG-CE2 4.29Å; C846-Y850 VanDerWaalsContact O-CA 3.22Å; C846-Y850 WeakPolarHBondContact O-CA 3.45Å; C846-Y850 PolarHBondContact O-N 3.12Å; Y850-R852 PolarHBondContact O-N 2.79Å | ||
| 851 | V | 91.9 | Very high | 88.7 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | trans | -65.5 | 127.5 | 174.4 | 71 | 0 | 0 | 0 | 0 | 109.9 | N763 S774 S845 C846 C849 C872 G892 A893 | N763-V851 HydrophobicContact CB-CB 4.48Å; S774-V851 WeakPolarHBondContact OG-CG2 3.38Å; S845-V851 WeakPolarHBondContact CA-O 3.11Å; C846-V851 HydrophobicContact CB-CG1 3.78Å; C846-V851 PolarHBondContact N-O 3.18Å; C849-V851 PolarHBondContact O-N 3.47Å; V851-C872 HydrophobicContact CG1-CB 3.98Å; V851-G892 VanDerWaalsContact CG2-C 3.5Å; V851-A893 HydrophobicContact CG2-CB 4.07Å | ||
| 852 | R | 92.2 | Very high | 87.7 | Confident | 25 Ų | 25 | 23.5 Ų | 23.5 | 9% | 0.094 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 135.6 | -179.6 | -162.3 | 175.5 | -170.7 | -172 | 3.9 | 111.5 | G767 Y772 S774 I844 S845 Y850 | G767-R852 WeakPolarHBondContact O-CD 3.37Å; G767-R852 PolarHBondContact O-NH1 3.4Å; Y772-R852 VanDerWaalsContact O-CD 3.22Å; Y772-R852 WeakPolarHBondContact O-CD 3.36Å; Y772-R852 VanDerWaalsContact O-CG 3.27Å; Y772-R852 WeakPolarHBondContact O-CG 3.44Å; S774-R852 WeakPolarHBondContact CB-O 3.12Å; S774-R852 PolarHBondContact N-O 3.17Å; S774-R852 PolarHBondContact OG-O 3.04Å; I844-R852 VanDerWaalsContact O-CA 3.32Å; I844-R852 WeakPolarHBondContact O-CA 3.31Å; I844-R852 WeakPolarHBondContact O-CG 3.37Å; S845-R852 WeakPolarHBondContact OG-CG 3.48Å; Y850-R852 PolarHBondContact O-N 2.79Å |
| 853 | V | 92.4 | Very high | 86.4 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 156.2 | -177.8 | -66.9 | 0 | 0 | 0 | 0 | 112.3 | I775 L843 I844 Y858 W870 A893 | I775-V853 HydrophobicContact CD1-CB 4.48Å; I775-V853 HydrophobicContact CD1-CG1 3.91Å; I775-V853 HydrophobicContact CG1-CG1 4.15Å; L843-V853 WeakPolarHBondContact CA-O 3.41Å; I844-V853 HydrophobicContact CD1-CG2 4.08Å; I844-V853 HydrophobicContact CG1-CG2 3.66Å; I844-V853 PolarHBondContact N-O 2.82Å; I844-V853 PolarHBondContact O-N 2.92Å; V853-Y858 HydrophobicContact CB-CG 4.48Å; V853-Y858 HydrophobicContact CG1-CD2 4.44Å; V853-Y858 HydrophobicContact CG1-CG 4.37Å; V853-Y858 HydrophobicContact CG2-CD1 4.21Å; V853-Y858 HydrophobicContact CG2-CG 4.02Å; V853-W870 HydrophobicContact CG2-CH2 3.9Å; V853-W870 HydrophobicContact CG2-CZ3 4.27Å; V853-A893 HydrophobicContact CG1-CB 3.62Å |
| 854 | H | 90.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 141.3 | 158.3 | -69.1 | 113.8 | 0 | 0 | 0 | 109.9 | C773 C776 S806 R807 S841 R842 S856 C857 Y858 | C773-H854 WeakPolarHBondContact CB-ND1 3.48Å; C773-H854 PolarHBondContact SG-N 2.84Å; C773-H854 VanDerWaalsContact SG-N 3.41Å; C776-H854 PolarHBondContact SG-ND1 3.07Å; S806-H854 PolarHBondContact O-NE2 2.97Å; S806-H854 PolarHBondContact OG-CE1 2.99Å; S806-H854 PolarHBondContact OG-NE2 3.41Å; R807-H854 PolarHBondContact O-CE1 2.99Å; S841-H854 PolarHBondContact O-CD2 2.79Å; R842-H854 WeakPolarHBondContact O-CA 3.46Å; H854-S856 PolarHBondContact O-N 3.32Å; H854-C857 HydrophobicContact CB-CB 4.11Å; H854-C857 PolarHBondContact O-N 2.86Å; H854-Y858 PolarHBondContact O-N 3.03Å; H854-Y858 VanDerWaalsContact O-N 3.16Å |
| 855 | T | 88.7 | Confident | 83.8 | Confident | 9 Ų | 9 | 32.7 Ų | 32.7 | 6% | 0.055 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.5 | -42.1 | 172.7 | 50.2 | 0 | 0 | 0 | 0 | 111.3 | S841 R842 I844 C857 Y858 G859 V860 A865 | S841-T855 PolarHBondContact OG-OG1 3.01Å; R842-T855 HydrophobicContact CB-CG2 4.11Å; R842-T855 PolarHBondContact O-N 3.13Å; I844-T855 HydrophobicContact CD1-CG2 4.07Å; I844-T855 HydrophobicContact CG1-CG2 4.47Å; I844-T855 HydrophobicContact CG2-CG2 4.11Å; T855-C857 PolarHBondContact O-N 3.02Å; T855-Y858 PolarHBondContact O-N 2.88Å; T855-G859 PolarHBondContact O-N 3.08Å; T855-V860 HydrophobicContact CG2-CB 4.32Å; T855-V860 PolarHBondContact O-N 2.95Å; T855-V860 VanDerWaalsContact O-N 3.14Å; T855-A865 HydrophobicContact CG2-CB 3.77Å |
| 856 | S | 87.8 | Confident | 82.4 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.014 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.8 | -31.9 | 178 | 64.1 | 0 | 0 | 0 | 0 | 115 | S841 H854 R922 | S841-S856 WeakPolarHBondContact CB-OG 3.45Å; S841-S856 WeakPolarHBondContact OG-CB 3.37Å; S841-S856 PolarHBondContact OG-N 2.81Å; S841-S856 PolarHBondContact OG-OG 3.14Å; S841-S856 VanDerWaalsContact OG-OG 3.14Å; H854-S856 PolarHBondContact O-N 3.32Å; S856-R922 PolarHBondContact O-NE 3.34Å; S856-R922 VanDerWaalsContact O-NE 3.09Å; S856-R922 PolarHBondContact O-NH2 2.72Å |
| 857 | C | 88.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -85.7 | -24.8 | -179.2 | -61.7 | 0 | 0 | 0 | 0 | 113 | I775 C776 F815 H854 T855 | I775-C857 HydrophobicContact CB-CB 4.23Å; I775-C857 HydrophobicContact CD1-CB 3.85Å; I775-C857 WeakPolarHBondContact CD1-O 3.47Å; I775-C857 HydrophobicContact CG2-CB 4.4Å; C776-C857 VanDerWaalsContact SG-SG 3.65Å; F815-C857 HydrophobicContact CZ-CB 4.39Å; H854-C857 HydrophobicContact CB-CB 4.11Å; H854-C857 PolarHBondContact O-N 2.86Å; T855-C857 PolarHBondContact O-N 3.02Å |
| 858 | Y | 90.1 | Very high | 80.1 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 2% | 0.024 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -103.7 | -14.7 | -179.3 | -164.8 | -115.8 | 0 | 0 | 0 | 114.4 | I775 V853 H854 T855 V860 W870 C872 A873 A893 L894 Q895 V905 | I775-Y858 HydrophobicContact CD1-CD2 4.12Å; V853-Y858 HydrophobicContact CB-CG 4.48Å; V853-Y858 HydrophobicContact CG1-CD2 4.44Å; V853-Y858 HydrophobicContact CG1-CG 4.37Å; V853-Y858 HydrophobicContact CG2-CD1 4.21Å; V853-Y858 HydrophobicContact CG2-CG 4.02Å; H854-Y858 PolarHBondContact O-N 3.03Å; H854-Y858 VanDerWaalsContact O-N 3.16Å; T855-Y858 PolarHBondContact O-N 2.88Å; Y858-V860 HydrophobicContact CD1-CG2 3.69Å; Y858-W870 AromaticContact CD1-CH2 3.75Å; Y858-W870 HydrophobicContact CD1-CH2 3.75Å; Y858-W870 AromaticContact CD1-CZ2 3.64Å; Y858-W870 HydrophobicContact CD1-CZ2 3.64Å; Y858-W870 AromaticContact CE1-CH2 3.7Å; Y858-W870 HydrophobicContact CE1-CH2 3.7Å; Y858-W870 AromaticContact CE1-CZ2 3.59Å; Y858-W870 HydrophobicContact CE1-CZ2 3.59Å; Y858-C872 HydrophobicContact CE1-CB 4.15Å; Y858-A873 WeakPolarHBondContact OH-CB 3.31Å; Y858-A873 PolarHBondContact OH-N 3.07Å; Y858-A893 HydrophobicContact CD2-CB 3.9Å; Y858-A893 HydrophobicContact CE2-CB 3.87Å; Y858-L894 WeakPolarHBondContact CE2-O 3.31Å; Y858-L894 PolarHBondContact OH-O 2.77Å; Y858-Q895 HydrophobicContact CD2-CG 4.41Å; Y858-Q895 HydrophobicContact CE2-CG 3.81Å; Y858-Q895 PolarHBondContact O-NE2 3.34Å; Y858-V905 HydrophobicContact CD2-CG2 3.94Å; Y858-V905 HydrophobicContact CE2-CG2 4.07Å |
| 859 | G | 85.7 | Confident | 79.7 | Confident | 11 Ų | 11 | 48.9 Ų | 48.9 | 11% | 0.113 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | 32 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115 | T855 T920 | T855-G859 PolarHBondContact O-N 3.08Å; G859-T920 VanDerWaalsContact CA-O 3.24Å; G859-T920 WeakPolarHBondContact CA-O 3.36Å |
| 860 | V | 84.4 | Confident | 79.7 | Confident | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.03 | 26% | 0.256 | C | S | . | . | trans | -96.3 | 133.3 | -174.3 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | I844 T855 Y858 E864 A865 W870 | I844-V860 HydrophobicContact CD1-CB 4Å; I844-V860 HydrophobicContact CD1-CG1 3.96Å; I844-V860 HydrophobicContact CD1-CG2 3.81Å; T855-V860 HydrophobicContact CG2-CB 4.32Å; T855-V860 PolarHBondContact O-N 2.95Å; T855-V860 VanDerWaalsContact O-N 3.14Å; Y858-V860 HydrophobicContact CD1-CG2 3.69Å; V860-E864 HydrophobicContact CG1-CB 3.61Å; V860-A865 HydrophobicContact CG1-CB 4.44Å; V860-W870 HydrophobicContact CG2-CZ2 3.85Å | ||
| 861 | S | 75.6 | Confident | 79.7 | Confident | 30 Ų | 30 | 47.9 Ų | 47.9 | 21% | 0.21 | 25% | 0.253 | C | S | . | . | trans | -69.2 | 162.2 | -179.9 | 73.3 | 0 | 0 | 0 | 0 | 112.7 | E863 E864 A865 | S861-E863 PolarHBondContact O-N 2.98Å; S861-E864 VanDerWaalsContact CB-OE1 3.31Å; S861-E864 WeakPolarHBondContact CB-OE1 3.31Å; S861-E864 WeakPolarHBondContact OG-CB 3.09Å; S861-E864 VanDerWaalsContact OG-CG 3.22Å; S861-E864 WeakPolarHBondContact OG-CG 3.37Å; S861-E864 PolarHBondContact OG-N 2.8Å; S861-E864 PolarHBondContact OG-OE1 2.8Å; S861-A865 WeakPolarHBondContact O-CB 3.39Å; S861-A865 PolarHBondContact O-N 3.19Å; S861-A865 VanDerWaalsContact O-N 3.13Å | ||
| 862 | G | 64.9 | Low | 79.6 | Confident | 52 Ų | 52 | 48 Ų | 48 | 54% | 0.536 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -35 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 863 | E | 62.1 | Low | 79.5 | Confident | 156 Ų | 156 | 47.7 Ų | 47.7 | 73% | 0.729 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -46.7 | 179.8 | -64.6 | 168 | -156.3 | 0 | 0 | 111.8 | S861 A865 E866 F867 | S861-E863 PolarHBondContact O-N 2.98Å; E863-A865 PolarHBondContact O-N 2.81Å; E863-E866 VanDerWaalsContact O-CB 3.25Å; E863-E866 WeakPolarHBondContact O-CB 3.09Å; E863-E866 WeakPolarHBondContact O-CG 3.37Å; E863-E866 PolarHBondContact O-N 3.38Å; E863-F867 WeakPolarHBondContact O-CE2 3.25Å |
| 864 | E | 61.4 | Low | 79.5 | Confident | 83 Ų | 83 | 47.9 Ų | 47.9 | 39% | 0.388 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -60.3 | -30.2 | 174.7 | -72.8 | 154.4 | -126.5 | 0 | 0 | 112.5 | V860 S861 E866 | V860-E864 HydrophobicContact CG1-CB 3.61Å; S861-E864 VanDerWaalsContact CB-OE1 3.31Å; S861-E864 WeakPolarHBondContact CB-OE1 3.31Å; S861-E864 WeakPolarHBondContact OG-CB 3.09Å; S861-E864 VanDerWaalsContact OG-CG 3.22Å; S861-E864 WeakPolarHBondContact OG-CG 3.37Å; S861-E864 PolarHBondContact OG-N 2.8Å; S861-E864 PolarHBondContact OG-OE1 2.8Å; E864-E866 VanDerWaalsContact C-N 3.27Å; E864-E866 PolarHBondContact O-N 3.05Å |
| 865 | A | 61.5 | Low | 79.5 | Confident | 3 Ų | 3 | 48 Ų | 48 | 3% | 0.025 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -73.9 | -13.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R842 I844 T855 V860 S861 E863 F867 | R842-A865 PolarHBondContact NH1-O 3.46Å; R842-A865 PolarHBondContact NH2-O 2.93Å; I844-A865 HydrophobicContact CG2-CB 4.16Å; T855-A865 HydrophobicContact CG2-CB 3.77Å; V860-A865 HydrophobicContact CG1-CB 4.44Å; S861-A865 WeakPolarHBondContact O-CB 3.39Å; S861-A865 PolarHBondContact O-N 3.19Å; S861-A865 VanDerWaalsContact O-N 3.13Å; E863-A865 PolarHBondContact O-N 2.81Å; A865-F867 VanDerWaalsContact C-N 3.3Å; A865-F867 PolarHBondContact O-N 2.98Å |
| 866 | E | 63.3 | Low | 79.6 | Confident | 88 Ų | 88 | 54.5 Ų | 54.5 | 41% | 0.411 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -65.1 | -30.5 | -179 | -69.5 | -70 | 88.6 | 0 | 0 | 113.4 | R803 R842 E863 E864 | R803-E866 IonicContact CZ-OE1 2.97Å; R803-E866 IonicContact CZ-OE2 3.05Å; R803-E866 IonicContact NH1-OE1 3.84Å; R803-E866 PolarHBondContact NH1-OE1 2.85Å; R803-E866 IonicContact NH1-OE2 2.93Å; R803-E866 PolarHBondContact NH1-OE2 3.42Å; R803-E866 IonicContact NH2-OE1 2.65Å; R803-E866 PolarHBondContact NH2-OE1 3.02Å; R803-E866 IonicContact NH2-OE2 3.49Å; R803-E866 PolarHBondContact NH2-OE2 2.81Å; R842-E866 IonicContact NH1-OE1 3.14Å; R842-E866 PolarHBondContact NH1-OE1 3.26Å; E863-E866 VanDerWaalsContact O-CB 3.25Å; E863-E866 WeakPolarHBondContact O-CB 3.09Å; E863-E866 WeakPolarHBondContact O-CG 3.37Å; E863-E866 PolarHBondContact O-N 3.38Å; E864-E866 VanDerWaalsContact C-N 3.27Å; E864-E866 PolarHBondContact O-N 3.05Å |
| 867 | F | 65.8 | Low | 79.6 | Confident | 148 Ų | 148 | 57.2 Ų | 57.2 | 65% | 0.649 | 31% | 0.31 | S | S | * | . | trans | -82.4 | 122.6 | -171 | -55.2 | -79.7 | 0 | 0 | 0 | 113 | E863 A865 N869 W870 | E863-F867 WeakPolarHBondContact O-CE2 3.25Å; A865-F867 VanDerWaalsContact C-N 3.3Å; A865-F867 PolarHBondContact O-N 2.98Å; F867-N869 PolarHBondContact O-N 3.48Å; F867-N869 VanDerWaalsContact O-N 3.14Å; F867-W870 PolarHBondContact O-N 3.02Å | ||
| 868 | D | 65.5 | Low | 79.6 | Confident | 151 Ų | 151 | 61.9 Ų | 61.9 | 81% | 0.807 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -19 | 178.4 | -63.4 | -46.7 | 0 | 0 | 0 | 113.9 | ||
| 869 | N | 81.4 | Confident | 79.5 | Confident | 138 Ų | 138 | 62.3 Ų | 62.3 | 74% | 0.738 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 27.4 | 178.7 | -70.2 | -32.8 | 0 | 0 | 0 | 113.6 | F867 | F867-N869 PolarHBondContact O-N 3.48Å; F867-N869 VanDerWaalsContact O-N 3.14Å |
| 870 | W | 88.9 | Confident | 79.3 | Confident | 27 Ų | 27 | 64.6 Ų | 64.6 | 10% | 0.102 | 36% | 0.356 | C | S | . | . | trans | -54.9 | 140.3 | -177.6 | 179.6 | 80.1 | 0 | 0 | 0 | 113.5 | I844 C846 A847 V853 Y858 V860 F867 C872 | I844-W870 HydrophobicContact CB-CE3 4.33Å; I844-W870 HydrophobicContact CD1-CD2 3.8Å; I844-W870 HydrophobicContact CD1-CE3 4.01Å; I844-W870 HydrophobicContact CD1-CG 4.41Å; I844-W870 HydrophobicContact CD1-CH2 3.95Å; I844-W870 HydrophobicContact CD1-CZ2 3.73Å; I844-W870 HydrophobicContact CD1-CZ3 4.09Å; I844-W870 HydrophobicContact CG1-CD2 4.38Å; I844-W870 HydrophobicContact CG1-CE3 4.14Å; I844-W870 HydrophobicContact CG1-CH2 4.36Å; I844-W870 HydrophobicContact CG1-CZ3 4.12Å; C846-W870 WeakPolarHBondContact CA-O 3.43Å; C846-W870 HydrophobicContact CB-CE3 4.11Å; C846-W870 HydrophobicContact CB-CZ3 3.87Å; A847-W870 PolarHBondContact N-O 3.18Å; V853-W870 HydrophobicContact CG2-CH2 3.9Å; V853-W870 HydrophobicContact CG2-CZ3 4.27Å; Y858-W870 AromaticContact CD1-CH2 3.75Å; Y858-W870 HydrophobicContact CD1-CH2 3.75Å; Y858-W870 AromaticContact CD1-CZ2 3.64Å; Y858-W870 HydrophobicContact CD1-CZ2 3.64Å; Y858-W870 AromaticContact CE1-CH2 3.7Å; Y858-W870 HydrophobicContact CE1-CH2 3.7Å; Y858-W870 AromaticContact CE1-CZ2 3.59Å; Y858-W870 HydrophobicContact CE1-CZ2 3.59Å; V860-W870 HydrophobicContact CG2-CZ2 3.85Å; F867-W870 PolarHBondContact O-N 3.02Å; W870-C872 HydrophobicContact CH2-CB 3.65Å; W870-C872 HydrophobicContact CZ2-CB 4.24Å; W870-C872 HydrophobicContact CZ3-CB 4.09Å | ||
| 871 | L | 90.5 | Very high | 79.3 | Confident | 70 Ų | 70 | 68.6 Ų | 68.6 | 37% | 0.366 | 38% | 0.381 | S | S | . | . | trans | -117.9 | 139 | 175.3 | -63.2 | 179.8 | 0 | 0 | 0 | 110.4 | A847 Q848 C875 E876 | A847-L871 HydrophobicContact CB-CD2 4.17Å; Q848-L871 HydrophobicContact CB-CD2 3.91Å; L871-C875 HydrophobicContact CB-CB 4.26Å; L871-C875 HydrophobicContact CD2-CB 4.29Å; L871-E876 HydrophobicContact CB-CB 4.43Å | ||
| 872 | C | 91 | Very high | 79.9 | Confident | 4 Ų | 4 | 71.2 Ų | 71.2 | 3% | 0.027 | 39% | 0.39 | C | S | . | . | trans | -75.9 | 159.1 | 169.9 | 71.4 | 0 | 0 | 0 | 0 | 110.5 | C846 C849 V851 Y858 W870 R874 C875 E876 | C846-C872 HydrophobicContact CB-CB 4.16Å; C846-C872 PolarHBondContact SG-N 3.04Å; C846-C872 VanDerWaalsContact SG-N 3.45Å; C849-C872 VanDerWaalsContact SG-SG 3.61Å; V851-C872 HydrophobicContact CG1-CB 3.98Å; Y858-C872 HydrophobicContact CE1-CB 4.15Å; W870-C872 HydrophobicContact CH2-CB 3.65Å; W870-C872 HydrophobicContact CZ2-CB 4.24Å; W870-C872 HydrophobicContact CZ3-CB 4.09Å; C872-R874 PolarHBondContact O-N 3.26Å; C872-C875 WeakPolarHBondContact O-CA 3.49Å; C872-C875 WeakPolarHBondContact O-CB 3.46Å; C872-C875 PolarHBondContact O-N 2.67Å; C872-E876 PolarHBondContact O-N 3.19Å | ||
| 873 | A | 90.1 | Very high | 81.1 | Confident | 18 Ų | 18 | 70.6 Ų | 70.6 | 15% | 0.149 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -55.2 | -32.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y858 A877 W902 | Y858-A873 WeakPolarHBondContact OH-CB 3.31Å; Y858-A873 PolarHBondContact OH-N 3.07Å; A873-A877 WeakPolarHBondContact O-CB 3.43Å; A873-A877 PolarHBondContact O-N 2.8Å; A873-W902 HydrophobicContact CB-CZ3 4.19Å; A873-W902 WeakPolarHBondContact O-CH2 3.39Å |
| 874 | R | 91.9 | Very high | 82.5 | Confident | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.015 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69 | -37 | 175.8 | -170.6 | -179.2 | 64.2 | 162.3 | 2.9 | 112.5 | E759 C872 S878 A879 E882 W902 | E759-R874 IonicContact OE1-CZ 3.7Å; E759-R874 IonicContact OE1-NH1 2.8Å; E759-R874 PolarHBondContact OE1-NH1 2.8Å; E759-R874 IonicContact OE1-NH2 2.68Å; E759-R874 PolarHBondContact OE1-NH2 3.02Å; E759-R874 IonicContact OE2-CZ 2.73Å; E759-R874 IonicContact OE2-NH1 3.74Å; E759-R874 IonicContact OE2-NH2 3.84Å; E759-R874 PolarHBondContact OE2-NH2 3.46Å; C872-R874 PolarHBondContact O-N 3.26Å; R874-S878 PolarHBondContact O-N 3.17Å; R874-A879 WeakPolarHBondContact CD-O 3.21Å; R874-A879 HydrophobicContact CG-CB 4.05Å; R874-A879 WeakPolarHBondContact CG-O 3.45Å; R874-A879 PolarHBondContact O-N 2.87Å; R874-E882 PolarHBondContact NH1-O 3.07Å; R874-W902 HydrophobicContact CB-CE3 4.07Å; R874-W902 HydrophobicContact CB-CH2 4.24Å; R874-W902 HydrophobicContact CB-CZ3 3.83Å; R874-W902 HydrophobicContact CG-CD2 4.48Å; R874-W902 HydrophobicContact CG-CE3 4.34Å; R874-W902 HydrophobicContact CG-CZ3 4.43Å |
| 875 | C | 90.9 | Very high | 83.8 | Confident | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.02 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -76 | -43.4 | 177.5 | -77.5 | 0 | 0 | 0 | 0 | 111.8 | Q848 L871 C872 A877 S878 | Q848-C875 HydrophobicContact CB-CB 4.29Å; Q848-C875 PolarHBondContact OE1-SG 2.99Å; L871-C875 HydrophobicContact CB-CB 4.26Å; L871-C875 HydrophobicContact CD2-CB 4.29Å; C872-C875 WeakPolarHBondContact O-CA 3.49Å; C872-C875 WeakPolarHBondContact O-CB 3.46Å; C872-C875 PolarHBondContact O-N 2.67Å; C875-A877 VanDerWaalsContact C-N 3.34Å; C875-A877 PolarHBondContact O-N 2.81Å; C875-S878 WeakPolarHBondContact O-CA 3.31Å; C875-S878 PolarHBondContact O-N 3.05Å |
| 876 | E | 90.6 | Very high | 85.2 | Confident | 146 Ų | 146 | 61 Ų | 61 | 68% | 0.682 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -56.5 | -46.1 | 172.5 | -177.9 | -178.2 | -138.3 | 0 | 0 | 111.6 | L871 C872 S878 | L871-E876 HydrophobicContact CB-CB 4.43Å; C872-E876 PolarHBondContact O-N 3.19Å; E876-S878 PolarHBondContact O-N 2.92Å; E876-S878 VanDerWaalsContact O-N 3.13Å |
| 877 | A | 88 | Confident | 86.4 | Confident | 59 Ų | 59 | 56.8 Ų | 56.8 | 49% | 0.488 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 4.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A873 C875 A879 W902 | A873-A877 WeakPolarHBondContact O-CB 3.43Å; A873-A877 PolarHBondContact O-N 2.8Å; C875-A877 VanDerWaalsContact C-N 3.34Å; C875-A877 PolarHBondContact O-N 2.81Å; A877-A879 HydrophobicContact CB-CB 4.25Å; A877-A879 PolarHBondContact O-N 2.78Å; A877-W902 HydrophobicContact CB-CH2 3.82Å; A877-W902 HydrophobicContact CB-CZ2 3.8Å |
| 878 | S | 89 | Confident | 87.4 | Confident | 98 Ų | 98 | 49.9 Ų | 49.9 | 69% | 0.685 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 16.4 | -174 | -60.7 | 0 | 0 | 0 | 0 | 115.1 | R874 C875 E876 I880 | R874-S878 PolarHBondContact O-N 3.17Å; C875-S878 WeakPolarHBondContact O-CA 3.31Å; C875-S878 PolarHBondContact O-N 3.05Å; E876-S878 PolarHBondContact O-N 2.92Å; E876-S878 VanDerWaalsContact O-N 3.13Å; S878-I880 PolarHBondContact O-N 2.88Å |
| 879 | A | 86.6 | Confident | 88.5 | Confident | 15 Ų | 15 | 43.2 Ų | 43.2 | 12% | 0.124 | 25% | 0.248 | C | C | . | . | trans | -86.1 | 39 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R874 A877 T881 E882 W902 | R874-A879 WeakPolarHBondContact CD-O 3.21Å; R874-A879 HydrophobicContact CG-CB 4.05Å; R874-A879 WeakPolarHBondContact CG-O 3.45Å; R874-A879 PolarHBondContact O-N 2.87Å; A877-A879 HydrophobicContact CB-CB 4.25Å; A877-A879 PolarHBondContact O-N 2.78Å; A879-T881 PolarHBondContact O-N 3.18Å; A879-T881 VanDerWaalsContact O-N 3.13Å; A879-E882 HydrophobicContact CB-CB 4.32Å; A879-E882 HydrophobicContact CB-CG 3.97Å; A879-E882 WeakPolarHBondContact O-CB 3.29Å; A879-E882 PolarHBondContact O-N 3.34Å; A879-W902 HydrophobicContact CB-CZ2 3.63Å | ||
| 880 | I | 81.9 | Confident | 88.9 | Confident | 59 Ų | 59 | 37.8 Ų | 37.8 | 30% | 0.303 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -24.8 | -169.4 | 60.7 | 172.3 | 0 | 0 | 0 | 114.3 | Y754 S878 E882 | Y754-I880 PolarHBondContact OH-O 3.04Å; S878-I880 PolarHBondContact O-N 2.88Å; I880-E882 VanDerWaalsContact C-N 3.34Å |
| 881 | T | 83.6 | Confident | 88.9 | Confident | 89 Ų | 89 | 36.8 Ų | 36.8 | 55% | 0.546 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -4.2 | 177 | 51.2 | 0 | 0 | 0 | 0 | 114 | Y754 A879 | Y754-T881 HydrophobicContact CD1-CG2 4.36Å; A879-T881 PolarHBondContact O-N 3.18Å; A879-T881 VanDerWaalsContact O-N 3.13Å |
| 882 | E | 89.3 | Confident | 88.8 | Confident | 84 Ų | 84 | 34 Ų | 34 | 39% | 0.393 | 20% | 0.203 | S | C | . | . | P | Polyproline II helix | trans | -81.9 | 132 | -175 | -70.9 | -64.1 | 126.1 | 0 | 0 | 112.9 | R874 A879 I880 W902 | R874-E882 PolarHBondContact NH1-O 3.07Å; A879-E882 HydrophobicContact CB-CB 4.32Å; A879-E882 HydrophobicContact CB-CG 3.97Å; A879-E882 WeakPolarHBondContact O-CB 3.29Å; A879-E882 PolarHBondContact O-N 3.34Å; I880-E882 VanDerWaalsContact C-N 3.34Å; E882-W902 HydrophobicContact CB-CB 4.36Å; E882-W902 HydrophobicContact CB-CG 3.83Å |
| 883 | D | 89.3 | Confident | 88.9 | Confident | 40 Ų | 40 | 34 Ų | 34 | 21% | 0.214 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -103.4 | 146.4 | -173.8 | -81.7 | -29.4 | 0 | 0 | 0 | 111.7 | Q750 C885 R890 | Q750-D883 HydrophobicContact CG-CB 4.13Å; D883-C885 PolarHBondContact O-N 3.02Å; D883-R890 WeakPolarHBondContact OD1-CD 3.42Å; D883-R890 VanDerWaalsContact OD1-CG 3.25Å; D883-R890 WeakPolarHBondContact OD1-CG 3.43Å; D883-R890 IonicContact OD1-CZ 2.95Å; D883-R890 IonicContact OD1-NE 2.69Å; D883-R890 PolarHBondContact OD1-NE 3.49Å; D883-R890 IonicContact OD1-NH2 2.71Å; D883-R890 IonicContact OD2-CZ 2.79Å; D883-R890 IonicContact OD2-NE 3.6Å; D883-R890 PolarHBondContact OD2-NE 2.96Å; D883-R890 IonicContact OD2-NH2 3.01Å; D883-R890 PolarHBondContact OD2-NH2 2.69Å |
| 884 | C | 91.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -65.7 | 120 | 177.5 | 172.2 | 0 | 0 | 0 | 0 | 112.1 | Q750 L886 C887 L894 W902 H904 | Q750-C884 PolarHBondContact NE2-O 2.92Å; C884-L886 VanDerWaalsContact C-N 3.26Å; C884-L886 PolarHBondContact O-N 2.83Å; C884-C887 PolarHBondContact O-N 3.21Å; C884-C887 VanDerWaalsContact SG-SG 3.64Å; C884-L894 HydrophobicContact CB-CD2 3.97Å; C884-W902 WeakPolarHBondContact CA-O 3.46Å; C884-H904 WeakPolarHBondContact CB-CE1 3.48Å; C884-H904 VanDerWaalsContact CB-ND1 3.29Å; C884-H904 WeakPolarHBondContact CB-ND1 3.42Å; C884-H904 PolarHBondContact SG-N 2.99Å; C884-H904 PolarHBondContact SG-ND1 3.42Å; C884-H904 VanDerWaalsContact SG-ND1 3.4Å |
| 885 | C | 89.5 | Confident | 89.1 | Confident | 39 Ų | 39 | 33.8 Ų | 33.8 | 26% | 0.264 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -2.7 | -175.5 | 74.3 | 0 | 0 | 0 | 0 | 115.6 | D883 K901 W902 | D883-C885 PolarHBondContact O-N 3.02Å; C885-K901 HydrophobicContact CB-CB 4.31Å; C885-K901 HydrophobicContact CB-CD 4.12Å; C885-W902 PolarHBondContact N-O 3.33Å |
| 886 | L | 89.9 | Confident | 89.1 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -8.4 | 177.4 | -60.1 | -172.4 | 0 | 0 | 0 | 113.8 | C884 V903 C907 V911 L927 I930 F935 C953 | C884-L886 VanDerWaalsContact C-N 3.26Å; C884-L886 PolarHBondContact O-N 2.83Å; L886-V903 HydrophobicContact CD1-CG1 3.61Å; L886-V903 HydrophobicContact CG-CG1 4.04Å; L886-C907 HydrophobicContact CB-CB 4.11Å; L886-C907 HydrophobicContact CD1-CB 4.29Å; L886-V911 HydrophobicContact CD1-CG2 4.39Å; L886-L927 HydrophobicContact CD1-CD2 4.05Å; L886-L927 HydrophobicContact CD2-CD2 4.3Å; L886-L927 HydrophobicContact CG-CD2 4.46Å; L886-I930 HydrophobicContact CD1-CD1 4.27Å; L886-I930 HydrophobicContact CD2-CD1 3.83Å; L886-F935 HydrophobicContact CD2-CE1 4.17Å; L886-F935 HydrophobicContact CD2-CZ 4.08Å; L886-C953 HydrophobicContact CB-CB 4.32Å; L886-C953 HydrophobicContact CD2-CB 3.82Å; L886-C953 PolarHBondContact O-N 2.94Å |
| 887 | C | 90.3 | Very high | 89 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -149.1 | -174.4 | -179.5 | 75.6 | 0 | 0 | 0 | 0 | 111 | Q750 C884 H904 H967 S969 | Q750-C887 PolarHBondContact NE2-O 3.27Å; Q750-C887 PolarHBondContact OE1-O 3.29Å; C884-C887 PolarHBondContact O-N 3.21Å; C884-C887 VanDerWaalsContact SG-SG 3.64Å; C887-H904 VanDerWaalsContact SG-CE1 3.56Å; C887-H904 PolarHBondContact SG-ND1 3.23Å; C887-H967 HydrophobicContact CB-CB 4.11Å; C887-S969 VanDerWaalsContact CB-OG 3.24Å; C887-S969 WeakPolarHBondContact CB-OG 3Å; C887-S969 PolarHBondContact SG-OG 3.4Å |
| 888 | S | 86.8 | Confident | 88.9 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -126.5 | 19.5 | -167.2 | -35.4 | 0 | 0 | 0 | 0 | 113.8 | Q750 V950 K951 H967 | Q750-S888 PolarHBondContact N-O 2.87Å; S888-V950 WeakPolarHBondContact OG-CG1 3.42Å; S888-K951 PolarHBondContact OG-O 2.74Å; S888-H967 PolarHBondContact OG-ND1 3.47Å |
| 889 | L | 87.9 | Confident | 88.6 | Confident | 11 Ų | 11 | 32.6 Ų | 32.6 | 6% | 0.058 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -119.3 | 158 | 177.4 | -76.7 | 166.7 | 0 | 0 | 0 | 110.1 | L745 L748 W749 Q750 H904 A973 | L745-L889 HydrophobicContact CB-CD2 4.25Å; L745-L889 HydrophobicContact CD1-CD1 4.46Å; L748-L889 HydrophobicContact CB-CD2 4.25Å; L748-L889 CarbonylContact O-C 3.5Å; L748-L889 WeakPolarHBondContact O-CA 3.41Å; W749-L889 HydrophobicContact CD2-CD2 3.66Å; W749-L889 HydrophobicContact CE3-CD2 3.47Å; W749-L889 VanDerWaalsContact CE3-CD2 3.47Å; W749-L889 HydrophobicContact CE3-CG 3.84Å; W749-L889 HydrophobicContact CG-CD2 4.32Å; W749-L889 HydrophobicContact CH2-CD1 4.29Å; W749-L889 HydrophobicContact CH2-CD2 4Å; W749-L889 HydrophobicContact CH2-CG 4.26Å; W749-L889 HydrophobicContact CZ2-CD2 4.13Å; W749-L889 HydrophobicContact CZ3-CD1 4.14Å; W749-L889 HydrophobicContact CZ3-CD2 3.68Å; W749-L889 HydrophobicContact CZ3-CG 3.72Å; Q750-L889 PolarHBondContact NE2-O 3Å; Q750-L889 VanDerWaalsContact NE2-O 3.16Å; L889-H904 PolarHBondContact O-CE1 3.02Å; L889-A973 HydrophobicContact CD1-CB 4.36Å |
| 890 | R | 89.6 | Confident | 88.3 | Confident | 23 Ų | 23 | 36.9 Ų | 36.9 | 9% | 0.087 | 19% | 0.194 | C | C | . | . | trans | -105.3 | 166.4 | 173 | -62.9 | -174 | 173.4 | 118.5 | 7 | 111 | L748 Q750 Q752 P753 D883 | L748-R890 HydrophobicContact CB-CB 4.45Å; L748-R890 HydrophobicContact CD2-CB 4.5Å; L748-R890 WeakPolarHBondContact O-CB 3.17Å; L748-R890 WeakPolarHBondContact O-CG 3.13Å; L748-R890 PolarHBondContact O-N 3.2Å; Q750-R890 HydrophobicContact CG-CG 4.14Å; Q750-R890 PolarHBondContact O-NH2 2.74Å; Q752-R890 PolarHBondContact O-NH1 3.46Å; P753-R890 PolarHBondContact O-NH1 2.85Å; D883-R890 WeakPolarHBondContact OD1-CD 3.42Å; D883-R890 VanDerWaalsContact OD1-CG 3.25Å; D883-R890 WeakPolarHBondContact OD1-CG 3.43Å; D883-R890 IonicContact OD1-CZ 2.95Å; D883-R890 IonicContact OD1-NE 2.69Å; D883-R890 PolarHBondContact OD1-NE 3.49Å; D883-R890 IonicContact OD1-NH2 2.71Å; D883-R890 IonicContact OD2-CZ 2.79Å; D883-R890 IonicContact OD2-NE 3.6Å; D883-R890 PolarHBondContact OD2-NE 2.96Å; D883-R890 IonicContact OD2-NH2 3.01Å; D883-R890 PolarHBondContact OD2-NH2 2.69Å | ||
| 891 | G | 87.9 | Confident | 88.6 | Confident | 6 Ų | 6 | 39 Ų | 39 | 6% | 0.062 | 20% | 0.201 | C | C | . | . | trans | 81.4 | 162.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E759 N763 H904 | E759-G891 WeakPolarHBondContact OE1-CA 3.44Å; E759-G891 PolarHBondContact OE1-N 3.41Å; N763-G891 WeakPolarHBondContact OD1-CA 3.42Å; G891-H904 PolarHBondContact O-NE2 2.98Å | ||
| 892 | G | 90.1 | Very high | 89.1 | Confident | 11 Ų | 11 | 35.5 Ų | 35.5 | 11% | 0.113 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 88 | -178.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N763 V851 | N763-G892 PolarHBondContact OD1-N 3.38Å; V851-G892 VanDerWaalsContact CG2-C 3.5Å |
| 893 | A | 92.4 | Very high | 89.2 | Confident | 5 Ų | 5 | 31.5 Ų | 31.5 | 4% | 0.041 | 16% | 0.159 | C | C | . | . | trans | -90.6 | 115.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I775 V851 V853 Y858 H904 V905 | I775-A893 HydrophobicContact CD1-CB 4.1Å; I775-A893 HydrophobicContact CG1-CB 3.95Å; V851-A893 HydrophobicContact CG2-CB 4.07Å; V853-A893 HydrophobicContact CG1-CB 3.62Å; Y858-A893 HydrophobicContact CD2-CB 3.9Å; Y858-A893 HydrophobicContact CE2-CB 3.87Å; A893-H904 CarbonylContact O-C 3.57Å; A893-H904 VanDerWaalsContact O-CA 3.27Å; A893-H904 WeakPolarHBondContact O-CA 3.47Å; A893-V905 PolarHBondContact O-N 3.37Å | ||
| 894 | L | 93.7 | Very high | 89.4 | Confident | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 147.3 | 176 | -65.5 | 94.5 | 0 | 0 | 0 | 112.7 | Y858 C884 W902 V903 H904 | Y858-L894 WeakPolarHBondContact CE2-O 3.31Å; Y858-L894 PolarHBondContact OH-O 2.77Å; C884-L894 HydrophobicContact CB-CD2 3.97Å; L894-W902 HydrophobicContact CB-CE3 4.12Å; L894-W902 HydrophobicContact CD2-CB 3.69Å; L894-V903 CarbonylContact C-O 3.53Å; L894-V903 VanDerWaalsContact CA-O 3.29Å; L894-V903 WeakPolarHBondContact CA-O 3.48Å; L894-H904 VanDerWaalsContact CG-CD2 3.42Å; L894-H904 WeakPolarHBondContact CG-CD2 3.36Å |
| 895 | Q | 92.9 | Very high | 89.4 | Confident | 14 Ų | 14 | 30.1 Ų | 30.1 | 7% | 0.065 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 160.6 | 166.2 | -80.5 | -71.2 | 5.2 | 0 | 0 | 109.5 | Y858 V903 V905 S923 I925 | Y858-Q895 HydrophobicContact CD2-CG 4.41Å; Y858-Q895 HydrophobicContact CE2-CG 3.81Å; Y858-Q895 PolarHBondContact O-NE2 3.34Å; Q895-V903 PolarHBondContact N-O 2.63Å; Q895-V903 PolarHBondContact O-N 2.98Å; Q895-V905 HydrophobicContact CB-CG2 4.16Å; Q895-V905 HydrophobicContact CG-CG2 3.62Å; Q895-S923 VanDerWaalsContact OE1-CB 3.3Å; Q895-S923 PolarHBondContact OE1-OG 3.14Å; Q895-I925 HydrophobicContact CB-CD1 3.76Å; Q895-I925 HydrophobicContact CB-CG1 4.47Å |
| 896 | R | 91.3 | Very high | 89.5 | Confident | 127 Ų | 127 | 29 Ų | 29 | 48% | 0.479 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 139.1 | -179 | -177.7 | 170.6 | 162.5 | -150.1 | -1.1 | 111.1 | D900 W902 P924 I925 | R896-D900 IonicContact CZ-OD1 3.29Å; R896-D900 VanDerWaalsContact CZ-OD1 3.24Å; R896-D900 IonicContact NE-OD1 3.77Å; R896-D900 PolarHBondContact NE-OD1 3.38Å; R896-D900 IonicContact NH2-OD1 3.71Å; R896-D900 PolarHBondContact NH2-OD1 2.98Å; R896-W902 HydrophobicContact CB-CE3 4.31Å; R896-W902 HydrophobicContact CB-CH2 4.1Å; R896-W902 HydrophobicContact CB-CZ2 4.43Å; R896-W902 HydrophobicContact CB-CZ3 4.05Å; R896-P924 VanDerWaalsContact O-CA 3.3Å; R896-P924 WeakPolarHBondContact O-CA 3.45Å; R896-P924 WeakPolarHBondContact O-CB 3.36Å; R896-I925 PolarHBondContact O-N 3.49Å |
| 897 | A | 88.4 | Confident | 89.6 | Confident | 2 Ų | 2 | 29 Ų | 29 | 2% | 0.017 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -93.8 | 162.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N899 D900 K901 V903 I925 L927 | A897-N899 PolarHBondContact O-N 3.16Å; A897-D900 PolarHBondContact O-N 2.9Å; A897-K901 WeakPolarHBondContact CB-O 3.44Å; A897-K901 PolarHBondContact N-O 3.19Å; A897-V903 HydrophobicContact CB-CG2 3.99Å; A897-I925 CarbonylContact C-O 3.6Å; A897-I925 WeakPolarHBondContact CA-O 3.31Å; A897-I925 WeakPolarHBondContact CB-O 3.45Å; A897-L927 HydrophobicContact CB-CD1 3.68Å; A897-L927 HydrophobicContact CB-CG 4.03Å |
| 898 | N | 84.9 | Confident | 89.7 | Confident | 85 Ų | 85 | 29.1 Ų | 29.1 | 46% | 0.455 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -3.7 | 178.3 | 69.4 | -20.5 | 0 | 0 | 0 | 115.6 | I925 D926 L927 | N898-I925 PolarHBondContact N-O 2.99Å; N898-D926 PolarHBondContact ND2-OD1 3.44Å; N898-L927 PolarHBondContact OD1-N 3.2Å |
| 899 | N | 82 | Confident | 89.8 | Confident | 68 Ų | 68 | 29.2 Ų | 29.2 | 36% | 0.364 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 27 | 177.3 | 62.6 | 15.3 | 0 | 0 | 0 | 112.4 | A897 K901 | A897-N899 PolarHBondContact O-N 3.16Å; N899-K901 PolarHBondContact O-N 3.23Å; N899-K901 VanDerWaalsContact O-N 3.11Å; N899-K901 WeakPolarHBondContact OD1-CB 3.5Å; N899-K901 WeakPolarHBondContact OD1-CG 3.32Å; N899-K901 PolarHBondContact OD1-N 3.11Å |
| 900 | D | 80.3 | Confident | 89.9 | Confident | 105 Ų | 105 | 28.9 Ų | 28.9 | 56% | 0.561 | 14% | 0.142 | S | C | * | . | S | Bend | trans | 59 | 14.6 | 179.9 | -68.5 | -48.3 | 0 | 0 | 0 | 116.4 | R896 A897 | R896-D900 IonicContact CZ-OD1 3.29Å; R896-D900 VanDerWaalsContact CZ-OD1 3.24Å; R896-D900 IonicContact NE-OD1 3.77Å; R896-D900 PolarHBondContact NE-OD1 3.38Å; R896-D900 IonicContact NH2-OD1 3.71Å; R896-D900 PolarHBondContact NH2-OD1 2.98Å; A897-D900 PolarHBondContact O-N 2.9Å |
| 901 | K | 89.8 | Confident | 89.9 | Confident | 104 Ų | 104 | 27.8 Ų | 27.8 | 45% | 0.452 | 14% | 0.138 | S | C | . | . | trans | -89.5 | 168.6 | 170 | -61.1 | 173.4 | -172.1 | 168.2 | 0 | 111.4 | C885 A897 N899 | C885-K901 HydrophobicContact CB-CB 4.31Å; C885-K901 HydrophobicContact CB-CD 4.12Å; A897-K901 WeakPolarHBondContact CB-O 3.44Å; A897-K901 PolarHBondContact N-O 3.19Å; N899-K901 PolarHBondContact O-N 3.23Å; N899-K901 VanDerWaalsContact O-N 3.11Å; N899-K901 WeakPolarHBondContact OD1-CB 3.5Å; N899-K901 WeakPolarHBondContact OD1-CG 3.32Å; N899-K901 PolarHBondContact OD1-N 3.11Å | ||
| 902 | W | 92.7 | Very high | 89.5 | Confident | 15 Ų | 15 | 30.7 Ų | 30.7 | 6% | 0.057 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 147.4 | 177 | -65.8 | 85 | 0 | 0 | 0 | 112 | A873 R874 A877 A879 E882 C884 C885 L894 R896 | A873-W902 HydrophobicContact CB-CZ3 4.19Å; A873-W902 WeakPolarHBondContact O-CH2 3.39Å; R874-W902 HydrophobicContact CB-CE3 4.07Å; R874-W902 HydrophobicContact CB-CH2 4.24Å; R874-W902 HydrophobicContact CB-CZ3 3.83Å; R874-W902 HydrophobicContact CG-CD2 4.48Å; R874-W902 HydrophobicContact CG-CE3 4.34Å; R874-W902 HydrophobicContact CG-CZ3 4.43Å; A877-W902 HydrophobicContact CB-CH2 3.82Å; A877-W902 HydrophobicContact CB-CZ2 3.8Å; A879-W902 HydrophobicContact CB-CZ2 3.63Å; E882-W902 HydrophobicContact CB-CB 4.36Å; E882-W902 HydrophobicContact CB-CG 3.83Å; C884-W902 WeakPolarHBondContact CA-O 3.46Å; C885-W902 PolarHBondContact N-O 3.33Å; L894-W902 HydrophobicContact CB-CE3 4.12Å; L894-W902 HydrophobicContact CD2-CB 3.69Å; R896-W902 HydrophobicContact CB-CE3 4.31Å; R896-W902 HydrophobicContact CB-CH2 4.1Å; R896-W902 HydrophobicContact CB-CZ2 4.43Å; R896-W902 HydrophobicContact CB-CZ3 4.05Å |
| 903 | V | 92.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 132.2 | -174.1 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | L886 L894 Q895 A897 V905 C907 A908 I925 L927 | L886-V903 HydrophobicContact CD1-CG1 3.61Å; L886-V903 HydrophobicContact CG-CG1 4.04Å; L894-V903 CarbonylContact C-O 3.53Å; L894-V903 VanDerWaalsContact CA-O 3.29Å; L894-V903 WeakPolarHBondContact CA-O 3.48Å; Q895-V903 PolarHBondContact N-O 2.63Å; Q895-V903 PolarHBondContact O-N 2.98Å; A897-V903 HydrophobicContact CB-CG2 3.99Å; V903-V905 PolarHBondContact O-N 3.15Å; V903-C907 HydrophobicContact CG1-CB 4.47Å; V903-A908 HydrophobicContact CG1-CB 4.22Å; V903-I925 HydrophobicContact CB-CD1 3.96Å; V903-I925 HydrophobicContact CG1-CD1 4.12Å; V903-L927 HydrophobicContact CG2-CD1 3.78Å; V903-L927 HydrophobicContact CG2-CD2 4.05Å; V903-L927 HydrophobicContact CG2-CG 4.37Å |
| 904 | H | 93.3 | Very high | 89.2 | Confident | 11 Ų | 11 | 32.1 Ų | 32.1 | 5% | 0.051 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 133.7 | 169.3 | -60.8 | 127.4 | 0 | 0 | 0 | 110.1 | C884 C887 L889 G891 A893 L894 L906 C907 A908 | C884-H904 WeakPolarHBondContact CB-CE1 3.48Å; C884-H904 VanDerWaalsContact CB-ND1 3.29Å; C884-H904 WeakPolarHBondContact CB-ND1 3.42Å; C884-H904 PolarHBondContact SG-N 2.99Å; C884-H904 PolarHBondContact SG-ND1 3.42Å; C884-H904 VanDerWaalsContact SG-ND1 3.4Å; C887-H904 VanDerWaalsContact SG-CE1 3.56Å; C887-H904 PolarHBondContact SG-ND1 3.23Å; L889-H904 PolarHBondContact O-CE1 3.02Å; G891-H904 PolarHBondContact O-NE2 2.98Å; A893-H904 CarbonylContact O-C 3.57Å; A893-H904 VanDerWaalsContact O-CA 3.27Å; A893-H904 WeakPolarHBondContact O-CA 3.47Å; L894-H904 VanDerWaalsContact CG-CD2 3.42Å; L894-H904 WeakPolarHBondContact CG-CD2 3.36Å; H904-L906 PolarHBondContact O-N 3.33Å; H904-C907 HydrophobicContact CB-CB 4.02Å; H904-C907 WeakPolarHBondContact O-CA 3.37Å; H904-C907 WeakPolarHBondContact O-CB 3.31Å; H904-C907 PolarHBondContact O-N 3.31Å; H904-A908 PolarHBondContact O-N 2.85Å |
| 905 | V | 91.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.6 | -39.3 | 176.4 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | I775 F815 Y858 A893 Q895 V903 C907 A908 I909 F916 | I775-V905 HydrophobicContact CD1-CB 3.99Å; I775-V905 HydrophobicContact CD1-CG1 4.05Å; I775-V905 HydrophobicContact CD1-CG2 4.39Å; I775-V905 HydrophobicContact CG1-CB 4.32Å; I775-V905 HydrophobicContact CG2-CB 4.46Å; I775-V905 HydrophobicContact CG2-CG1 4.16Å; F815-V905 HydrophobicContact CE1-CG1 4.12Å; Y858-V905 HydrophobicContact CD2-CG2 3.94Å; Y858-V905 HydrophobicContact CE2-CG2 4.07Å; A893-V905 PolarHBondContact O-N 3.37Å; Q895-V905 HydrophobicContact CB-CG2 4.16Å; Q895-V905 HydrophobicContact CG-CG2 3.62Å; V903-V905 PolarHBondContact O-N 3.15Å; V905-C907 VanDerWaalsContact C-N 3.34Å; V905-C907 PolarHBondContact O-N 3.47Å; V905-A908 PolarHBondContact O-N 3.33Å; V905-I909 HydrophobicContact CG1-CD1 4.09Å; V905-I909 WeakPolarHBondContact O-CG1 3.45Å; V905-I909 PolarHBondContact O-N 2.84Å; V905-F916 HydrophobicContact CG1-CE1 4.14Å; V905-F916 HydrophobicContact CG1-CZ 4.02Å |
| 906 | L | 91.8 | Very high | 88.5 | Confident | 16 Ų | 16 | 34.9 Ų | 34.9 | 8% | 0.084 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.8 | -41.8 | 171.2 | -178 | 152.5 | 0 | 0 | 0 | 113.1 | L778 H904 I909 T910 P968 Q972 | L778-L906 HydrophobicContact CB-CD1 3.82Å; L778-L906 HydrophobicContact CB-CG 4.02Å; L778-L906 HydrophobicContact CD1-CD1 4.4Å; L778-L906 HydrophobicContact CD1-CD2 4.18Å; L778-L906 HydrophobicContact CD1-CG 4.04Å; L778-L906 HydrophobicContact CG-CG 4.41Å; H904-L906 PolarHBondContact O-N 3.33Å; L906-I909 PolarHBondContact O-N 2.7Å; L906-T910 PolarHBondContact O-N 3.17Å; L906-T910 VanDerWaalsContact O-N 3.07Å; L906-T910 PolarHBondContact O-OG1 3.14Å; L906-P968 HydrophobicContact CD2-CB 4.12Å; L906-Q972 HydrophobicContact CD1-CG 4.29Å |
| 907 | C | 91.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.2 | -32.9 | 178.4 | -68.3 | 0 | 0 | 0 | 0 | 112.1 | L886 V903 H904 V905 V911 P968 | L886-C907 HydrophobicContact CB-CB 4.11Å; L886-C907 HydrophobicContact CD1-CB 4.29Å; V903-C907 HydrophobicContact CG1-CB 4.47Å; H904-C907 HydrophobicContact CB-CB 4.02Å; H904-C907 WeakPolarHBondContact O-CA 3.37Å; H904-C907 WeakPolarHBondContact O-CB 3.31Å; H904-C907 PolarHBondContact O-N 3.31Å; V905-C907 VanDerWaalsContact C-N 3.34Å; V905-C907 PolarHBondContact O-N 3.47Å; C907-V911 WeakPolarHBondContact O-CB 3.49Å; C907-V911 WeakPolarHBondContact O-CG2 3.28Å; C907-V911 PolarHBondContact O-N 3.33Å; C907-V911 VanDerWaalsContact O-N 3.1Å; C907-P968 HydrophobicContact CB-CB 4.37Å; C907-P968 HydrophobicContact CB-CG 4.35Å |
| 908 | A | 91.2 | Very high | 87.8 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 2% | 0.017 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.1 | -43.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | V903 H904 V905 T910 V911 A914 F916 I925 | V903-A908 HydrophobicContact CG1-CB 4.22Å; H904-A908 PolarHBondContact O-N 2.85Å; V905-A908 PolarHBondContact O-N 3.33Å; A908-T910 VanDerWaalsContact C-N 3.28Å; A908-T910 PolarHBondContact O-N 2.56Å; A908-V911 PolarHBondContact O-N 3Å; A908-V911 VanDerWaalsContact O-O 3.08Å; A908-A914 HydrophobicContact CB-CB 4.18Å; A908-F916 HydrophobicContact CB-CE1 4.14Å; A908-F916 HydrophobicContact CB-CE2 4.32Å; A908-F916 HydrophobicContact CB-CZ 3.68Å; A908-I925 HydrophobicContact CB-CD1 3.89Å; A908-I925 HydrophobicContact CB-CG1 4.39Å; A908-I925 HydrophobicContact CB-CG2 4.09Å |
| 909 | I | 89.6 | Confident | 87.7 | Confident | 6 Ų | 6 | 34.4 Ų | 34.4 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59 | -39.5 | 173.9 | -63.5 | 158.4 | 0 | 0 | 0 | 111.5 | I775 L778 I810 C814 F815 V905 L906 F916 V987 | I775-I909 HydrophobicContact CG2-CD1 3.65Å; L778-I909 HydrophobicContact CD2-CB 4.08Å; L778-I909 HydrophobicContact CD2-CG2 3.57Å; I810-I909 HydrophobicContact CG2-CD1 4.09Å; C814-I909 HydrophobicContact CB-CG2 3.92Å; F815-I909 HydrophobicContact CD1-CD1 4.46Å; F815-I909 HydrophobicContact CD1-CG1 4.27Å; F815-I909 HydrophobicContact CE1-CD1 3.72Å; F815-I909 HydrophobicContact CE1-CG1 4.01Å; F815-I909 HydrophobicContact CZ-CD1 4.11Å; V905-I909 HydrophobicContact CG1-CD1 4.09Å; V905-I909 WeakPolarHBondContact O-CG1 3.45Å; V905-I909 PolarHBondContact O-N 2.84Å; L906-I909 PolarHBondContact O-N 2.7Å; I909-F916 HydrophobicContact CG1-CE2 4.2Å; I909-F916 HydrophobicContact CG1-CZ 4.14Å; I909-V987 HydrophobicContact CG2-CG2 3.89Å; I909-V987 WeakPolarHBondContact O-CG2 3.18Å |
| 910 | T | 89.6 | Confident | 87.6 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 3% | 0.025 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -79.1 | -25.9 | -175.8 | -42 | 0 | 0 | 0 | 0 | 113.1 | L778 L906 A908 V955 P968 M978 V987 I989 | L778-T910 WeakPolarHBondContact CD1-OG1 3.45Å; L906-T910 PolarHBondContact O-N 3.17Å; L906-T910 VanDerWaalsContact O-N 3.07Å; L906-T910 PolarHBondContact O-OG1 3.14Å; A908-T910 VanDerWaalsContact C-N 3.28Å; A908-T910 PolarHBondContact O-N 2.56Å; T910-V955 HydrophobicContact CG2-CG1 4.2Å; T910-V955 HydrophobicContact CG2-CG2 4.1Å; T910-V955 WeakPolarHBondContact O-CG1 3.42Å; T910-P968 HydrophobicContact CG2-CB 3.93Å; T910-P968 HydrophobicContact CG2-CG 4.07Å; T910-M978 HydrophobicContact CG2-SD 4.39Å; T910-V987 HydrophobicContact CG2-CG1 4.29Å; T910-I989 HydrophobicContact CG2-CD1 3.79Å |
| 911 | V | 89.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -96.9 | 98.1 | 177.8 | 176.9 | 0 | 0 | 0 | 0 | 108.4 | L886 C907 A908 E913 A914 I930 V955 P968 | L886-V911 HydrophobicContact CD1-CG2 4.39Å; C907-V911 WeakPolarHBondContact O-CB 3.49Å; C907-V911 WeakPolarHBondContact O-CG2 3.28Å; C907-V911 PolarHBondContact O-N 3.33Å; C907-V911 VanDerWaalsContact O-N 3.1Å; A908-V911 PolarHBondContact O-N 3Å; A908-V911 VanDerWaalsContact O-O 3.08Å; V911-E913 PolarHBondContact O-N 2.77Å; V911-A914 HydrophobicContact CB-CB 4.3Å; V911-A914 HydrophobicContact CG1-CB 4.34Å; V911-A914 WeakPolarHBondContact O-CB 3.48Å; V911-A914 PolarHBondContact O-N 3.14Å; V911-I930 HydrophobicContact CG1-CD1 4.05Å; V911-I930 HydrophobicContact CG1-CG1 4.17Å; V911-I930 HydrophobicContact CG1-CG2 4.3Å; V911-V955 HydrophobicContact CG2-CG1 3.79Å; V911-P968 HydrophobicContact CG2-CG 4.1Å |
| 912 | L | 80.2 | Confident | 87.4 | Confident | 67 Ų | 67 | 30.5 Ų | 30.5 | 35% | 0.351 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -22.2 | -174.6 | -58.3 | 174.7 | 0 | 0 | 0 | 114.7 | F985 V986 | L912-F985 HydrophobicContact CD1-CD1 4.32Å; L912-V986 HydrophobicContact CD2-CB 3.89Å; L912-V986 HydrophobicContact CD2-CG2 4.31Å |
| 913 | E | 87.1 | Confident | 87.1 | Confident | 46 Ų | 46 | 31.1 Ų | 31.1 | 22% | 0.215 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -0.7 | 175.8 | -52.6 | 98.1 | 144.4 | 0 | 0 | 114.7 | V911 A929 I930 R934 | V911-E913 PolarHBondContact O-N 2.77Å; E913-A929 HydrophobicContact CB-CB 4.46Å; E913-I930 HydrophobicContact CB-CG1 4.1Å; E913-R934 VanDerWaalsContact CD-NH2 3.32Å; E913-R934 IonicContact OE1-CZ 3.43Å; E913-R934 IonicContact OE1-NE 3.43Å; E913-R934 PolarHBondContact OE1-NE 3.36Å; E913-R934 IonicContact OE1-NH2 3.19Å; E913-R934 PolarHBondContact OE1-NH2 3.32Å; E913-R934 IonicContact OE2-CZ 3.56Å; E913-R934 VanDerWaalsContact OE2-CZ 3.31Å; E913-R934 IonicContact OE2-NE 2.76Å; E913-R934 PolarHBondContact OE2-NE 3Å; E913-R934 IonicContact OE2-NH2 3.21Å; E913-R934 PolarHBondContact OE2-NH2 3.05Å; E913-R934 VanDerWaalsContact OE2-NH2 3.13Å |
| 914 | A | 87.7 | Confident | 86.8 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -88.8 | 136.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | A908 V911 I925 D926 L927 I930 | A908-A914 HydrophobicContact CB-CB 4.18Å; V911-A914 HydrophobicContact CB-CB 4.3Å; V911-A914 HydrophobicContact CG1-CB 4.34Å; V911-A914 WeakPolarHBondContact O-CB 3.48Å; V911-A914 PolarHBondContact O-N 3.14Å; A914-I925 HydrophobicContact CB-CG2 4.31Å; A914-D926 WeakPolarHBondContact CA-O 3.25Å; A914-L927 HydrophobicContact CB-CD2 4.21Å; A914-I930 HydrophobicContact CB-CD1 4.12Å | ||
| 915 | R | 85.4 | Confident | 86.7 | Confident | 73 Ų | 73 | 33.2 Ų | 33.2 | 28% | 0.275 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 140.5 | -168.1 | -45.1 | 178.5 | 75.8 | -176.1 | 4.8 | 111.8 | T817 H818 I925 D926 | T817-R915 VanDerWaalsContact O-CZ 3.31Å; T817-R915 PolarHBondContact O-NE 2.8Å; T817-R915 PolarHBondContact O-NH2 2.84Å; T817-R915 WeakPolarHBondContact OG1-CA 3.38Å; H818-R915 PolarHBondContact CD2-NH2 3.1Å; H818-R915 PolarHBondContact ND1-NH2 3.1Å; H818-R915 PolarHBondContact NE2-NE 2.94Å; H818-R915 PolarHBondContact NE2-NH2 2.87Å; R915-I925 CarbonylContact O-C 3.52Å; R915-I925 WeakPolarHBondContact O-CA 3.49Å; R915-D926 HydrophobicContact CB-CB 4.32Å; R915-D926 PolarHBondContact N-O 2.82Å; R915-D926 PolarHBondContact O-N 3.38Å |
| 916 | F | 87.1 | Confident | 86.4 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 109.4 | 176 | -65.5 | -77.6 | 0 | 0 | 0 | 109.6 | F815 T817 V905 A908 I909 N918 R922 I925 | F815-F916 HydrophobicContact CB-CD2 4.23Å; F815-F916 HydrophobicContact CD1-CD2 4.22Å; F815-F916 AromaticContact CD1-CE2 3.78Å; F815-F916 HydrophobicContact CD1-CE2 3.78Å; F815-F916 AromaticContact CD1-CZ 3.97Å; F815-F916 HydrophobicContact CD1-CZ 3.97Å; F815-F916 HydrophobicContact CE1-CZ 4.46Å; F815-F916 WeakPolarHBondContact O-CD2 3.32Å; T817-F916 PolarHBondContact OG1-N 2.73Å; V905-F916 HydrophobicContact CG1-CE1 4.14Å; V905-F916 HydrophobicContact CG1-CZ 4.02Å; A908-F916 HydrophobicContact CB-CE1 4.14Å; A908-F916 HydrophobicContact CB-CE2 4.32Å; A908-F916 HydrophobicContact CB-CZ 3.68Å; I909-F916 HydrophobicContact CG1-CE2 4.2Å; I909-F916 HydrophobicContact CG1-CZ 4.14Å; F916-N918 VanDerWaalsContact C-N 3.35Å; F916-N918 PolarHBondContact O-N 2.94Å; F916-R922 HydrophobicContact CD1-CB 4.28Å; F916-R922 VanDerWaalsContact CD1-O 3.31Å; F916-R922 WeakPolarHBondContact CD1-O 3.5Å; F916-R922 HydrophobicContact CE1-CB 4.36Å; F916-I925 HydrophobicContact CD1-CG1 3.91Å; F916-I925 HydrophobicContact CE1-CD1 4.08Å; F916-I925 HydrophobicContact CE1-CG1 3.86Å |
| 917 | V | 84.1 | Confident | 86.2 | Confident | 86 Ų | 86 | 34.3 Ų | 34.3 | 52% | 0.521 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -68.6 | -35.5 | -174 | 179.1 | 0 | 0 | 0 | 0 | 111.6 | P924 D926 | V917-P924 HydrophobicContact CB-CG 4.04Å; V917-P924 WeakPolarHBondContact CB-O 3.36Å; V917-P924 HydrophobicContact CG1-CG 4.46Å; V917-P924 HydrophobicContact CG2-CG 4.24Å; V917-P924 WeakPolarHBondContact CG2-O 3.49Å; V917-P924 PolarHBondContact N-O 3.04Å; V917-D926 HydrophobicContact CG2-CB 3.93Å |
| 918 | N | 81.6 | Confident | 85.9 | Confident | 68 Ų | 68 | 38.9 Ų | 38.9 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -116.8 | 114.8 | 162.9 | -174.7 | -55.3 | 0 | 0 | 0 | 108 | F916 T920 K921 R922 S923 | F916-N918 VanDerWaalsContact C-N 3.35Å; F916-N918 PolarHBondContact O-N 2.94Å; N918-T920 PolarHBondContact OD1-N 2.85Å; N918-T920 VanDerWaalsContact OD1-N 3.1Å; N918-K921 HydrophobicContact CB-CB 4.32Å; N918-K921 PolarHBondContact OD1-N 2.84Å; N918-R922 WeakPolarHBondContact O-CA 3.42Å; N918-R922 PolarHBondContact O-N 2.96Å; N918-S923 WeakPolarHBondContact CB-O 3.35Å; N918-S923 PolarHBondContact O-N 3.13Å |
| 919 | I | 81.6 | Confident | 85.6 | Confident | 50 Ų | 50 | 41.2 Ų | 41.2 | 26% | 0.256 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -43.5 | -176.2 | -64.1 | 167.3 | 0 | 0 | 0 | 110.3 | F815 N816 R922 | F815-I919 HydrophobicContact CB-CG2 4.27Å; N816-I919 HydrophobicContact CB-CD1 4.47Å; N816-I919 VanDerWaalsContact OD1-CD1 3.31Å; N816-I919 WeakPolarHBondContact OD1-CD1 3.42Å; I919-R922 VanDerWaalsContact O-CD 3.25Å; I919-R922 WeakPolarHBondContact O-CD 3.15Å; I919-R922 PolarHBondContact O-N 2.98Å; I919-R922 PolarHBondContact O-NH1 2.79Å |
| 920 | T | 80.2 | Confident | 85.5 | Confident | 70 Ų | 70 | 41.5 Ų | 41.5 | 43% | 0.429 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -47.7 | -179.7 | -44.4 | 0 | 0 | 0 | 0 | 112.2 | P833 G859 N918 R922 | P833-T920 HydrophobicContact CG-CG2 4.22Å; G859-T920 VanDerWaalsContact CA-O 3.24Å; G859-T920 WeakPolarHBondContact CA-O 3.36Å; N918-T920 PolarHBondContact OD1-N 2.85Å; N918-T920 VanDerWaalsContact OD1-N 3.1Å; T920-R922 VanDerWaalsContact C-N 3.31Å; T920-R922 PolarHBondContact O-N 3.35Å |
| 921 | K | 80.2 | Confident | 85.2 | Confident | 123 Ų | 123 | 44 Ų | 44 | 54% | 0.535 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -1.3 | -179.9 | -62.4 | -157.1 | 174.1 | -146.3 | 0 | 114.4 | N918 S923 | N918-K921 HydrophobicContact CB-CB 4.32Å; N918-K921 PolarHBondContact OD1-N 2.84Å; K921-S923 VanDerWaalsContact O-CB 3.31Å; K921-S923 WeakPolarHBondContact O-CB 3.47Å; K921-S923 PolarHBondContact O-N 3.25Å |
| 922 | R | 86.6 | Confident | 84.9 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 25.1 | -177.8 | -47.2 | -68.7 | -176.6 | -145.2 | 11.9 | 113.8 | E812 F815 N832 S856 F916 N918 I919 T920 | E812-R922 VanDerWaalsContact CD-NH2 3.33Å; E812-R922 IonicContact OE1-CZ 3.62Å; E812-R922 IonicContact OE1-NH1 2.77Å; E812-R922 PolarHBondContact OE1-NH1 3.01Å; E812-R922 IonicContact OE1-NH2 3.45Å; E812-R922 PolarHBondContact OE1-NH2 2.83Å; E812-R922 VanDerWaalsContact OE1-NH2 3.13Å; E812-R922 IonicContact OE2-CZ 2.94Å; E812-R922 IonicContact OE2-NH1 3.29Å; E812-R922 IonicContact OE2-NH2 3.92Å; E812-R922 PolarHBondContact OE2-NH2 3.46Å; F815-R922 VanDerWaalsContact CB-NH1 3.33Å; F815-R922 VanDerWaalsContact CG-CZ 3.44Å; N832-R922 PolarHBondContact ND2-NH2 2.77Å; S856-R922 PolarHBondContact O-NE 3.34Å; S856-R922 VanDerWaalsContact O-NE 3.09Å; S856-R922 PolarHBondContact O-NH2 2.72Å; F916-R922 HydrophobicContact CD1-CB 4.28Å; F916-R922 VanDerWaalsContact CD1-O 3.31Å; F916-R922 WeakPolarHBondContact CD1-O 3.5Å; F916-R922 HydrophobicContact CE1-CB 4.36Å; N918-R922 WeakPolarHBondContact O-CA 3.42Å; N918-R922 PolarHBondContact O-N 2.96Å; I919-R922 VanDerWaalsContact O-CD 3.25Å; I919-R922 WeakPolarHBondContact O-CD 3.15Å; I919-R922 PolarHBondContact O-N 2.98Å; I919-R922 PolarHBondContact O-NH1 2.79Å; T920-R922 VanDerWaalsContact C-N 3.31Å; T920-R922 PolarHBondContact O-N 3.35Å |
| 923 | S | 85.8 | Confident | 85.1 | Confident | 27 Ų | 27 | 51.4 Ų | 51.4 | 19% | 0.189 | 29% | 0.294 | C | S | . | . | trans | -166.6 | 144.1 | -165.3 | -160.3 | 0 | 0 | 0 | 0 | 111.5 | Q895 N918 K921 | Q895-S923 VanDerWaalsContact OE1-CB 3.3Å; Q895-S923 PolarHBondContact OE1-OG 3.14Å; N918-S923 WeakPolarHBondContact CB-O 3.35Å; N918-S923 PolarHBondContact O-N 3.13Å; K921-S923 VanDerWaalsContact O-CB 3.31Å; K921-S923 WeakPolarHBondContact O-CB 3.47Å; K921-S923 PolarHBondContact O-N 3.25Å | ||
| 924 | P | 86.7 | Confident | 85 | Confident | 56 Ų | 56 | 51.5 Ų | 51.5 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | S | Bend | cis | -72.9 | 167.5 | -6.1 | 32 | -35.9 | 0 | 0 | 0 | 112.4 | R896 V917 | R896-P924 VanDerWaalsContact O-CA 3.3Å; R896-P924 WeakPolarHBondContact O-CA 3.45Å; R896-P924 WeakPolarHBondContact O-CB 3.36Å; V917-P924 HydrophobicContact CB-CG 4.04Å; V917-P924 WeakPolarHBondContact CB-O 3.36Å; V917-P924 HydrophobicContact CG1-CG 4.46Å; V917-P924 HydrophobicContact CG2-CG 4.24Å; V917-P924 WeakPolarHBondContact CG2-O 3.49Å; V917-P924 PolarHBondContact N-O 3.04Å |
| 925 | I | 89.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 125.8 | 175.4 | -62.5 | 161.5 | 0 | 0 | 0 | 109.8 | Q895 R896 A897 N898 V903 A908 A914 R915 F916 L927 | Q895-I925 HydrophobicContact CB-CD1 3.76Å; Q895-I925 HydrophobicContact CB-CG1 4.47Å; R896-I925 PolarHBondContact O-N 3.49Å; A897-I925 CarbonylContact C-O 3.6Å; A897-I925 WeakPolarHBondContact CA-O 3.31Å; A897-I925 WeakPolarHBondContact CB-O 3.45Å; N898-I925 PolarHBondContact N-O 2.99Å; V903-I925 HydrophobicContact CB-CD1 3.96Å; V903-I925 HydrophobicContact CG1-CD1 4.12Å; A908-I925 HydrophobicContact CB-CD1 3.89Å; A908-I925 HydrophobicContact CB-CG1 4.39Å; A908-I925 HydrophobicContact CB-CG2 4.09Å; A914-I925 HydrophobicContact CB-CG2 4.31Å; R915-I925 CarbonylContact O-C 3.52Å; R915-I925 WeakPolarHBondContact O-CA 3.49Å; F916-I925 HydrophobicContact CD1-CG1 3.91Å; F916-I925 HydrophobicContact CE1-CD1 4.08Å; F916-I925 HydrophobicContact CE1-CG1 3.86Å; I925-L927 HydrophobicContact CG2-CD2 3.8Å; I925-L927 HydrophobicContact CG2-CG 4.47Å |
| 926 | D | 86.5 | Confident | 84.8 | Confident | 21 Ų | 21 | 62.1 Ų | 62.1 | 11% | 0.112 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 130 | 169.1 | 178.1 | 25.3 | 0 | 0 | 0 | 110.6 | N898 A914 R915 V917 S928 | N898-D926 PolarHBondContact ND2-OD1 3.44Å; A914-D926 WeakPolarHBondContact CA-O 3.25Å; R915-D926 HydrophobicContact CB-CB 4.32Å; R915-D926 PolarHBondContact N-O 2.82Å; R915-D926 PolarHBondContact O-N 3.38Å; V917-D926 HydrophobicContact CG2-CB 3.93Å; D926-S928 VanDerWaalsContact CG-OG 3.28Å; D926-S928 WeakPolarHBondContact OD1-CB 3.33Å; D926-S928 PolarHBondContact OD1-N 2.86Å; D926-S928 PolarHBondContact OD1-OG 3.49Å; D926-S928 PolarHBondContact OD2-OG 2.76Å |
| 927 | L | 88.4 | Confident | 84.8 | Confident | 18 Ų | 18 | 64.6 Ų | 64.6 | 9% | 0.094 | 35% | 0.347 | C | S | . | . | trans | -113.6 | 0.3 | 178.2 | -56.7 | 178.5 | 0 | 0 | 0 | 112.9 | L886 A897 N898 V903 A914 I925 A929 I930 | L886-L927 HydrophobicContact CD1-CD2 4.05Å; L886-L927 HydrophobicContact CD2-CD2 4.3Å; L886-L927 HydrophobicContact CG-CD2 4.46Å; A897-L927 HydrophobicContact CB-CD1 3.68Å; A897-L927 HydrophobicContact CB-CG 4.03Å; N898-L927 PolarHBondContact OD1-N 3.2Å; V903-L927 HydrophobicContact CG2-CD1 3.78Å; V903-L927 HydrophobicContact CG2-CD2 4.05Å; V903-L927 HydrophobicContact CG2-CG 4.37Å; A914-L927 HydrophobicContact CB-CD2 4.21Å; I925-L927 HydrophobicContact CG2-CD2 3.8Å; I925-L927 HydrophobicContact CG2-CG 4.47Å; L927-A929 VanDerWaalsContact C-N 3.28Å; L927-A929 PolarHBondContact O-N 2.98Å; L927-I930 HydrophobicContact CB-CD1 4.03Å; L927-I930 HydrophobicContact CD2-CD1 3.58Å; L927-I930 HydrophobicContact CG-CD1 4.4Å; L927-I930 WeakPolarHBondContact O-CG1 3.32Å; L927-I930 PolarHBondContact O-N 3.02Å | ||
| 928 | S | 84.9 | Confident | 84.9 | Confident | 95 Ų | 95 | 68.7 Ų | 68.7 | 66% | 0.664 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -29 | -171.3 | 69.1 | 0 | 0 | 0 | 0 | 113.8 | D926 | D926-S928 VanDerWaalsContact CG-OG 3.28Å; D926-S928 WeakPolarHBondContact OD1-CB 3.33Å; D926-S928 PolarHBondContact OD1-N 2.86Å; D926-S928 PolarHBondContact OD1-OG 3.49Å; D926-S928 PolarHBondContact OD2-OG 2.76Å |
| 929 | A | 85.1 | Confident | 85.3 | Confident | 51 Ų | 51 | 65.6 Ų | 65.6 | 42% | 0.421 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -9.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | E913 L927 P931 | E913-A929 HydrophobicContact CB-CB 4.46Å; L927-A929 VanDerWaalsContact C-N 3.28Å; L927-A929 PolarHBondContact O-N 2.98Å; A929-P931 VanDerWaalsContact O-CD 3.24Å; A929-P931 WeakPolarHBondContact O-CD 3.37Å |
| 930 | I | 86.6 | Confident | 85.5 | Confident | 13 Ų | 13 | 64.4 Ų | 64.4 | 7% | 0.067 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -71.5 | 117.5 | -175.3 | -55.6 | 176.4 | 0 | 0 | 0 | 110.6 | L886 V911 E913 A914 L927 L932 F935 | L886-I930 HydrophobicContact CD1-CD1 4.27Å; L886-I930 HydrophobicContact CD2-CD1 3.83Å; V911-I930 HydrophobicContact CG1-CD1 4.05Å; V911-I930 HydrophobicContact CG1-CG1 4.17Å; V911-I930 HydrophobicContact CG1-CG2 4.3Å; E913-I930 HydrophobicContact CB-CG1 4.1Å; A914-I930 HydrophobicContact CB-CD1 4.12Å; L927-I930 HydrophobicContact CB-CD1 4.03Å; L927-I930 HydrophobicContact CD2-CD1 3.58Å; L927-I930 HydrophobicContact CG-CD1 4.4Å; L927-I930 WeakPolarHBondContact O-CG1 3.32Å; L927-I930 PolarHBondContact O-N 3.02Å; I930-L932 PolarHBondContact O-N 3.22Å; I930-F935 HydrophobicContact CB-CE2 4.21Å; I930-F935 HydrophobicContact CG2-CD2 4.49Å; I930-F935 HydrophobicContact CG2-CE2 3.56Å; I930-F935 HydrophobicContact CG2-CZ 3.99Å |
| 931 | P | 84.6 | Confident | 85.7 | Confident | 55 Ų | 55 | 61.7 Ų | 61.7 | 36% | 0.357 | 32% | 0.323 | S | S | . | . | trans | -66.9 | 130.4 | -175.1 | -22.9 | 35 | 0 | 0 | 0 | 113.1 | A929 P933 R934 | A929-P931 VanDerWaalsContact O-CD 3.24Å; A929-P931 WeakPolarHBondContact O-CD 3.37Å; P931-P933 VanDerWaalsContact C-N 3.25Å; P931-R934 WeakPolarHBondContact O-CB 3.32Å; P931-R934 PolarHBondContact O-N 2.65Å | ||
| 932 | L | 82.9 | Confident | 85.9 | Confident | 133 Ų | 133 | 55.9 Ų | 55.9 | 70% | 0.696 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -47.2 | -34.7 | 176.1 | -67.2 | 177.2 | 0 | 0 | 0 | 115.3 | I930 R934 F935 | I930-L932 PolarHBondContact O-N 3.22Å; L932-R934 VanDerWaalsContact C-N 3.25Å; L932-R934 PolarHBondContact O-N 2.94Å; L932-F935 PolarHBondContact O-N 2.85Å |
| 933 | P | 84.5 | Confident | 85.6 | Confident | 91 Ų | 91 | 63.1 Ų | 63.1 | 59% | 0.591 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -57.6 | -29.8 | 173.7 | -28.6 | 37.6 | 0 | 0 | 0 | 115.2 | P931 F935 R936 | P931-P933 VanDerWaalsContact C-N 3.25Å; P933-F935 PolarHBondContact O-N 3.46Å; P933-R936 PolarHBondContact O-N 3.39Å |
| 934 | R | 85.4 | Confident | 84.8 | Confident | 47 Ų | 47 | 69 Ų | 69 | 18% | 0.177 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -63.7 | -28.9 | 178.4 | -69.3 | -170 | 173.2 | -89.2 | 8.7 | 113.3 | E913 P931 L932 R936 C953 C954 | E913-R934 VanDerWaalsContact CD-NH2 3.32Å; E913-R934 IonicContact OE1-CZ 3.43Å; E913-R934 IonicContact OE1-NE 3.43Å; E913-R934 PolarHBondContact OE1-NE 3.36Å; E913-R934 IonicContact OE1-NH2 3.19Å; E913-R934 PolarHBondContact OE1-NH2 3.32Å; E913-R934 IonicContact OE2-CZ 3.56Å; E913-R934 VanDerWaalsContact OE2-CZ 3.31Å; E913-R934 IonicContact OE2-NE 2.76Å; E913-R934 PolarHBondContact OE2-NE 3Å; E913-R934 IonicContact OE2-NH2 3.21Å; E913-R934 PolarHBondContact OE2-NH2 3.05Å; E913-R934 VanDerWaalsContact OE2-NH2 3.13Å; P931-R934 WeakPolarHBondContact O-CB 3.32Å; P931-R934 PolarHBondContact O-N 2.65Å; L932-R934 VanDerWaalsContact C-N 3.25Å; L932-R934 PolarHBondContact O-N 2.94Å; R934-R936 VanDerWaalsContact C-N 3.26Å; R934-R936 PolarHBondContact O-N 3.28Å; R934-C953 VanDerWaalsContact CB-SG 3.58Å; R934-C954 PolarHBondContact NH1-O 3.29Å; R934-C954 PolarHBondContact O-N 2.99Å; R934-C954 VanDerWaalsContact O-N 3.07Å |
| 935 | F | 85.1 | Confident | 83.9 | Confident | 81 Ų | 81 | 69.9 Ų | 69.9 | 36% | 0.355 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -79.5 | -5 | 175.2 | -62.3 | -90.5 | 0 | 0 | 0 | 113.4 | L886 I930 L932 P933 G952 C953 | L886-F935 HydrophobicContact CD2-CE1 4.17Å; L886-F935 HydrophobicContact CD2-CZ 4.08Å; I930-F935 HydrophobicContact CB-CE2 4.21Å; I930-F935 HydrophobicContact CG2-CD2 4.49Å; I930-F935 HydrophobicContact CG2-CE2 3.56Å; I930-F935 HydrophobicContact CG2-CZ 3.99Å; L932-F935 PolarHBondContact O-N 2.85Å; P933-F935 PolarHBondContact O-N 3.46Å; F935-G952 WeakPolarHBondContact CA-O 3.44Å; F935-G952 VanDerWaalsContact CD1-O 3.24Å; F935-G952 WeakPolarHBondContact CD1-O 3.49Å; F935-C953 HydrophobicContact CD1-CB 4.09Å; F935-C953 HydrophobicContact CE1-CB 3.73Å; F935-C953 HydrophobicContact CE2-CB 4.47Å; F935-C953 HydrophobicContact CZ-CB 3.95Å |
| 936 | R | 83.1 | Confident | 82.7 | Confident | 215 Ų | 215 | 71.2 Ų | 71.2 | 81% | 0.811 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -103.5 | -3.5 | 176.2 | -61.8 | -176.5 | 175.9 | -174.3 | -2.6 | 113.4 | P933 R934 | P933-R936 PolarHBondContact O-N 3.39Å; R934-R936 VanDerWaalsContact C-N 3.26Å; R934-R936 PolarHBondContact O-N 3.28Å |
| 937 | L | 87.6 | Confident | 81.2 | Confident | 54 Ų | 54 | 80.7 Ų | 80.7 | 28% | 0.283 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -77.2 | 136.7 | 179.3 | -69.9 | 176.6 | 0 | 0 | 0 | 111 | C939 C954 Q956 A965 | L937-C939 PolarHBondContact O-N 3.29Å; L937-C954 HydrophobicContact CB-CB 3.65Å; L937-C954 HydrophobicContact CD1-CB 3.94Å; L937-C954 HydrophobicContact CG-CB 4.45Å; L937-C954 PolarHBondContact O-SG 2.78Å; L937-C954 VanDerWaalsContact O-SG 3.37Å; L937-Q956 HydrophobicContact CD1-CG 3.92Å; L937-A965 HydrophobicContact CB-CB 4.13Å; L937-A965 HydrophobicContact CD1-CB 4.21Å |
| 938 | K | 86.6 | Confident | 79.7 | Confident | 173 Ų | 173 | 90.1 Ų | 90.1 | 75% | 0.752 | 43% | 0.425 | S | S | * | . | trans | -90.1 | 100.3 | 180 | -63.9 | -171.8 | 178.1 | -173.5 | 0 | 111 | A940 R943 | K938-A940 PolarHBondContact O-N 3.48Å; K938-R943 HydrophobicContact CB-CB 4.5Å | ||
| 939 | C | 89.3 | Confident | 78.5 | Confident | 3 Ų | 3 | 94.8 Ų | 94.8 | 2% | 0.02 | 44% | 0.436 | C | S | . | . | trans | -50.4 | 121.3 | 177 | 167.7 | 0 | 0 | 0 | 0 | 112.3 | L937 C941 C942 R943 A965 H967 | L937-C939 PolarHBondContact O-N 3.29Å; C939-C941 PolarHBondContact O-N 2.95Å; C939-C942 VanDerWaalsContact SG-SG 3.61Å; C939-R943 WeakPolarHBondContact O-CB 3.24Å; C939-R943 WeakPolarHBondContact O-CG 3.41Å; C939-R943 PolarHBondContact O-N 2.96Å; C939-A965 CarbonylContact C-O 3.55Å; C939-A965 WeakPolarHBondContact CA-O 3.2Å; C939-H967 PolarHBondContact SG-N 3.38Å; C939-H967 VanDerWaalsContact SG-N 3.39Å | ||
| 940 | A | 86.7 | Confident | 77.4 | Confident | 25 Ų | 25 | 94.4 Ų | 94.4 | 21% | 0.207 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -29.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | K938 R943 T964 A965 F966 | K938-A940 PolarHBondContact O-N 3.48Å; A940-R943 PolarHBondContact O-NE 2.8Å; A940-T964 HydrophobicContact CB-CG2 3.93Å; A940-A965 PolarHBondContact N-O 3.26Å; A940-F966 HydrophobicContact CB-CD1 4.11Å; A940-F966 HydrophobicContact CB-CE1 3.78Å; A940-F966 HydrophobicContact CB-CZ 4.43Å |
| 941 | C | 83.9 | Confident | 76.4 | Confident | 13 Ų | 13 | 102.5 Ų | 102.5 | 9% | 0.088 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -59.1 | 178.4 | -59.5 | 0 | 0 | 0 | 0 | 112.7 | W741 C939 F966 C970 | W741-C941 HydrophobicContact CH2-CB 3.88Å; W741-C941 HydrophobicContact CZ2-CB 3.85Å; C939-C941 PolarHBondContact O-N 2.95Å; C941-F966 VanDerWaalsContact SG-CD1 3.54Å; C941-C970 HydrophobicContact CB-CB 4.19Å; C941-C970 PolarHBondContact SG-O 3.44Å; C941-C970 VanDerWaalsContact SG-O 3.37Å |
| 942 | C | 84.4 | Confident | 76.1 | Confident | 1 Ų | 1 | 100 Ų | 100 | 1% | 0.007 | 45% | 0.448 | C | S | . | . | G | 310 helix | trans | -84.8 | -17 | -172.7 | 67 | 0 | 0 | 0 | 0 | 114.8 | W749 C939 K944 R945 M946 | W749-C942 HydrophobicContact CH2-CB 4.41Å; W749-C942 HydrophobicContact CZ3-CB 4Å; C939-C942 VanDerWaalsContact SG-SG 3.61Å; C942-K944 PolarHBondContact O-N 2.76Å; C942-R945 PolarHBondContact O-N 3.37Å; C942-M946 HydrophobicContact CB-SD 3.99Å; C942-M946 PolarHBondContact O-N 3.05Å; C942-M946 VanDerWaalsContact O-N 3.13Å |
| 943 | R | 80.3 | Confident | 76.3 | Confident | 154 Ų | 154 | 93.7 Ų | 93.7 | 58% | 0.581 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -57.2 | -20.6 | -179.5 | 68.4 | -177.8 | 179.5 | 154.4 | 2.7 | 115.6 | K938 C939 A940 | K938-R943 HydrophobicContact CB-CB 4.5Å; C939-R943 WeakPolarHBondContact O-CB 3.24Å; C939-R943 WeakPolarHBondContact O-CG 3.41Å; C939-R943 PolarHBondContact O-N 2.96Å; A940-R943 PolarHBondContact O-NE 2.8Å |
| 944 | K | 67.8 | Low | 76.6 | Confident | 151 Ų | 151 | 89.4 Ų | 89.4 | 66% | 0.657 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -85.2 | -20.3 | 175.4 | -67.3 | -175 | -173.3 | 169.5 | 0 | 113.3 | E739 C942 | E739-K944 IonicContact OE1-NZ 3.28Å; E739-K944 PolarHBondContact OE1-NZ 3.43Å; E739-K944 VanDerWaalsContact OE1-NZ 3.08Å; C942-K944 PolarHBondContact O-N 2.76Å |
| 945 | R | 68.1 | Low | 76.9 | Confident | 74 Ų | 74 | 87.4 Ų | 87.4 | 28% | 0.279 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -27.3 | -167.6 | -55.4 | -176.6 | -167.6 | 153.5 | 0.2 | 112.8 | E739 W741 C942 | E739-R945 IonicContact OE2-CZ 2.8Å; E739-R945 IonicContact OE2-NH2 3.1Å; E739-R945 PolarHBondContact OE2-NH2 2.85Å; W741-R945 VanDerWaalsContact CZ2-NH1 3.29Å; C942-R945 PolarHBondContact O-N 3.37Å |
| 946 | M | 64.9 | Low | 77.1 | Confident | 27 Ų | 27 | 87.6 Ų | 87.6 | 13% | 0.133 | 38% | 0.382 | C | S | . | . | trans | -101.5 | 109.3 | -178 | -71.2 | 173.2 | 158.2 | 0 | 0 | 110.8 | W749 C942 R948 V950 | W749-M946 HydrophobicContact CB-CE 3.87Å; W749-M946 HydrophobicContact CD2-CE 4.03Å; W749-M946 HydrophobicContact CE3-CE 3.47Å; W749-M946 VanDerWaalsContact CE3-CE 3.47Å; W749-M946 HydrophobicContact CG-CE 4.22Å; W749-M946 HydrophobicContact CZ3-CE 4.35Å; C942-M946 HydrophobicContact CB-SD 3.99Å; C942-M946 PolarHBondContact O-N 3.05Å; C942-M946 VanDerWaalsContact O-N 3.13Å; M946-R948 VanDerWaalsContact C-N 3.26Å; M946-R948 PolarHBondContact O-N 2.97Å; M946-V950 HydrophobicContact CB-CG2 3.51Å; M946-V950 HydrophobicContact CG-CG2 4.15Å; M946-V950 HydrophobicContact SD-CB 4.28Å; M946-V950 HydrophobicContact SD-CG1 3.65Å; M946-V950 HydrophobicContact SD-CG2 3.58Å; M946-V950 VanDerWaalsContact SD-CG2 3.58Å | ||
| 947 | K | 54.7 | Low | 77.5 | Confident | 220 Ų | 220 | 77.6 Ų | 77.6 | 96% | 0.957 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -73.9 | -8.4 | 176.6 | -65.9 | -171.8 | 177.9 | -175 | 0 | 114.3 | ||
| 948 | R | 57.8 | Low | 77.4 | Confident | 216 Ų | 216 | 76.5 Ų | 76.5 | 82% | 0.815 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -108.3 | 158.8 | 177.8 | -71 | -178.2 | 175.5 | 167.4 | -0.2 | 110.8 | M946 V950 | M946-R948 VanDerWaalsContact C-N 3.26Å; M946-R948 PolarHBondContact O-N 2.97Å; R948-V950 WeakPolarHBondContact O-CG2 3.44Å; R948-V950 PolarHBondContact O-N 3.18Å; R948-V950 VanDerWaalsContact O-N 3.12Å |
| 949 | E | 58.3 | Low | 77 | Confident | 193 Ų | 193 | 71.8 Ų | 71.8 | 90% | 0.902 | 32% | 0.322 | S | S | * | . | trans | -55.2 | 117.7 | 173.1 | -68.8 | -161.7 | 137.5 | 0 | 0 | 111.2 | K951 | E949-K951 PolarHBondContact O-N 2.97Š| ||
| 950 | V | 62.9 | Low | 76.4 | Confident | 44 Ų | 44 | 75.3 Ų | 75.3 | 27% | 0.267 | 36% | 0.359 | S | S | . | . | trans | -84 | 113.1 | -174.4 | -171.5 | 0 | 0 | 0 | 0 | 109.4 | S888 M946 R948 | S888-V950 WeakPolarHBondContact OG-CG1 3.42Å; M946-V950 HydrophobicContact CB-CG2 3.51Å; M946-V950 HydrophobicContact CG-CG2 4.15Å; M946-V950 HydrophobicContact SD-CB 4.28Å; M946-V950 HydrophobicContact SD-CG1 3.65Å; M946-V950 HydrophobicContact SD-CG2 3.58Å; M946-V950 VanDerWaalsContact SD-CG2 3.58Å; R948-V950 WeakPolarHBondContact O-CG2 3.44Å; R948-V950 PolarHBondContact O-N 3.18Å; R948-V950 VanDerWaalsContact O-N 3.12Å | ||
| 951 | K | 65.9 | Low | 75.7 | Confident | 182 Ų | 182 | 83.4 Ų | 83.4 | 79% | 0.791 | 38% | 0.384 | S | S | * | . | trans | -74.4 | 130.3 | 171.3 | -63.2 | 178.5 | -177.1 | 175.5 | 0 | 109.2 | S888 E949 | S888-K951 PolarHBondContact OG-O 2.74Å; E949-K951 PolarHBondContact O-N 2.97Å | ||
| 952 | G | 77.5 | Confident | 75.6 | Confident | 4 Ų | 4 | 83.3 Ų | 83.3 | 4% | 0.041 | 38% | 0.384 | C | S | . | . | S | Bend | trans | 160.5 | 165.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F935 | F935-G952 WeakPolarHBondContact CA-O 3.44Å; F935-G952 VanDerWaalsContact CD1-O 3.24Å; F935-G952 WeakPolarHBondContact CD1-O 3.49Å |
| 953 | C | 88.7 | Confident | 75.7 | Confident | 0 Ų | 0 | 87.9 Ų | 87.9 | 0% | 0 | 42% | 0.415 | C | S | . | . | trans | -110 | 117.1 | 178.4 | 172.7 | 0 | 0 | 0 | 0 | 108.9 | L886 R934 F935 | L886-C953 HydrophobicContact CB-CB 4.32Å; L886-C953 HydrophobicContact CD2-CB 3.82Å; L886-C953 PolarHBondContact O-N 2.94Å; R934-C953 VanDerWaalsContact CB-SG 3.58Å; F935-C953 HydrophobicContact CD1-CB 4.09Å; F935-C953 HydrophobicContact CE1-CB 3.73Å; F935-C953 HydrophobicContact CE2-CB 4.47Å; F935-C953 HydrophobicContact CZ-CB 3.95Å | ||
| 954 | C | 90.6 | Very high | 76.1 | Confident | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 40% | 0.396 | C | S | . | . | trans | -85.6 | 142.9 | 177.5 | -67.3 | 0 | 0 | 0 | 0 | 113.2 | R934 L937 A965 F966 H967 | R934-C954 PolarHBondContact NH1-O 3.29Å; R934-C954 PolarHBondContact O-N 2.99Å; R934-C954 VanDerWaalsContact O-N 3.07Å; L937-C954 HydrophobicContact CB-CB 3.65Å; L937-C954 HydrophobicContact CD1-CB 3.94Å; L937-C954 HydrophobicContact CG-CB 4.45Å; L937-C954 PolarHBondContact O-SG 2.78Å; L937-C954 VanDerWaalsContact O-SG 3.37Å; C954-A965 HydrophobicContact CB-CB 4Å; C954-F966 CarbonylContact C-O 3.5Å; C954-F966 WeakPolarHBondContact CA-O 3.18Å; C954-F966 WeakPolarHBondContact CB-O 3.43Å; C954-H967 VanDerWaalsContact SG-CD2 3.54Å | ||
| 955 | V | 90.4 | Very high | 77.3 | Confident | 5 Ų | 5 | 75 Ų | 75 | 3% | 0.03 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 159.7 | 161.7 | -64.7 | 0 | 0 | 0 | 0 | 109.5 | T910 V911 A965 F966 P968 I989 | T910-V955 HydrophobicContact CG2-CG1 4.2Å; T910-V955 HydrophobicContact CG2-CG2 4.1Å; T910-V955 WeakPolarHBondContact O-CG1 3.42Å; V911-V955 HydrophobicContact CG2-CG1 3.79Å; V955-A965 CarbonylContact O-C 3.53Å; V955-A965 VanDerWaalsContact O-CA 3.24Å; V955-A965 WeakPolarHBondContact O-CA 3.14Å; V955-F966 VanDerWaalsContact CG2-O 3.31Å; V955-F966 WeakPolarHBondContact CG2-O 3.29Å; V955-F966 PolarHBondContact N-O 2.85Å; V955-F966 PolarHBondContact O-N 2.84Å; V955-P968 HydrophobicContact CG1-CG 4.29Å; V955-P968 HydrophobicContact CG2-CG 4.32Å; V955-I989 HydrophobicContact CB-CD1 3.82Å; V955-I989 HydrophobicContact CG2-CD1 3.51Å |
| 956 | Q | 90.8 | Very high | 78.4 | Confident | 85 Ų | 85 | 71.8 Ų | 71.8 | 40% | 0.397 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 157.2 | -177.4 | -62.5 | -171.1 | -93 | 0 | 0 | 110.5 | L937 S958 A965 | L937-Q956 HydrophobicContact CD1-CG 3.92Å; Q956-S958 PolarHBondContact O-N 2.91Å; Q956-A965 HydrophobicContact CG-CB 4.04Å |
| 957 | C | 90.1 | Very high | 79.6 | Confident | 6 Ų | 6 | 70.7 Ų | 70.7 | 4% | 0.041 | 35% | 0.35 | C | S | . | . | trans | -70 | 123.2 | 178.5 | 175 | 0 | 0 | 0 | 0 | 111.5 | H959 C962 T964 I989 C991 | C957-H959 PolarHBondContact O-N 3.32Å; C957-H959 VanDerWaalsContact O-N 3.14Å; C957-C962 HydrophobicContact CB-CB 3.83Å; C957-T964 PolarHBondContact N-O 3.4Å; C957-I989 CarbonylContact C-O 3.56Å; C957-I989 VanDerWaalsContact CA-O 3.29Å; C957-I989 WeakPolarHBondContact CA-O 3.25Å; C957-I989 PolarHBondContact SG-O 3.18Å; C957-C991 HydrophobicContact CB-CB 3.89Å; C957-C991 PolarHBondContact SG-N 3Å | ||
| 958 | S | 85.6 | Confident | 81.4 | Confident | 31 Ų | 31 | 60.2 Ų | 60.2 | 22% | 0.217 | 30% | 0.304 | C | S | . | . | trans | -66.8 | -13.2 | -173.6 | -47.3 | 0 | 0 | 0 | 0 | 114.6 | Q956 G960 I989 | Q956-S958 PolarHBondContact O-N 2.91Å; S958-G960 PolarHBondContact O-N 3.11Å; S958-I989 PolarHBondContact N-O 3.49Å; S958-I989 PolarHBondContact OG-N 3.16Å | ||
| 959 | H | 77.9 | Confident | 82.9 | Confident | 74 Ų | 74 | 50.5 Ų | 50.5 | 34% | 0.343 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -70.1 | 92.5 | 178.3 | -91 | 76.9 | 0 | 0 | 0 | 112.8 | C957 R961 C962 F988 T990 H994 | C957-H959 PolarHBondContact O-N 3.32Å; C957-H959 VanDerWaalsContact O-N 3.14Å; H959-R961 PolarHBondContact O-N 3Å; H959-C962 WeakPolarHBondContact O-CB 3.36Å; H959-C962 PolarHBondContact O-N 3.32Å; H959-F988 AromaticContact CE1-CE1 3.65Å; H959-F988 AromaticContact ND1-CE1 3.43Å; H959-F988 WeakPolarHBondContact ND1-CE1 3.3Å; H959-F988 AromaticContact ND1-CZ 3.65Å; H959-T990 PolarHBondContact CE1-OG1 3.45Å; H959-T990 PolarHBondContact ND1-OG1 2.85Å; H959-T990 VanDerWaalsContact ND1-OG1 3.17Å; H959-H994 HydrophobicContact CB-CB 4.12Å; H959-H994 WeakPolarHBondContact CB-ND1 3.31Å; H959-H994 AromaticContact CG-ND1 3.95Å |
| 960 | G | 76.6 | Confident | 84.4 | Confident | 77 Ų | 77 | 41.3 Ų | 41.3 | 79% | 0.794 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | -119.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S958 | S958-G960 PolarHBondContact O-N 3.11Š|
| 961 | R | 72.1 | Confident | 85.6 | Confident | 195 Ų | 195 | 39.2 Ų | 39.2 | 74% | 0.736 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105 | 38.3 | 177.9 | -59.3 | -174.1 | -169.9 | 167.7 | 3.2 | 112.2 | Q79 H959 S963 | Q79-R961 VanDerWaalsContact CD-CZ 3.46Å; H959-R961 PolarHBondContact O-N 3Å; R961-S963 PolarHBondContact O-N 3.36Å |
| 962 | C | 82.9 | Confident | 86.8 | Confident | 11 Ų | 11 | 31.8 Ų | 31.8 | 7% | 0.074 | 18% | 0.182 | C | C | . | . | trans | -73.8 | 106.1 | -177.4 | -163 | 0 | 0 | 0 | 0 | 111.9 | C957 H959 T964 C991 H994 | C957-C962 HydrophobicContact CB-CB 3.83Å; H959-C962 WeakPolarHBondContact O-CB 3.36Å; H959-C962 PolarHBondContact O-N 3.32Å; C962-T964 PolarHBondContact O-N 3.23Å; C962-T964 VanDerWaalsContact O-N 3.15Å; C962-T964 PolarHBondContact SG-OG1 3.36Å; C962-C991 VanDerWaalsContact SG-SG 3.62Å; C962-H994 PolarHBondContact SG-CE1 3.25Å | ||
| 963 | S | 86.9 | Confident | 87.2 | Confident | 96 Ų | 96 | 32.6 Ų | 32.6 | 67% | 0.671 | 19% | 0.189 | S | C | * | . | trans | -70.3 | -3.6 | 175.4 | 55.5 | 0 | 0 | 0 | 0 | 114.6 | R961 A965 | R961-S963 PolarHBondContact O-N 3.36Å; S963-A965 PolarHBondContact O-N 2.62Å | ||
| 964 | T | 88.8 | Confident | 87.1 | Confident | 29 Ų | 29 | 33.2 Ų | 33.2 | 18% | 0.178 | 19% | 0.193 | C | C | . | . | trans | -67.2 | 116.5 | -179.1 | -41.4 | 0 | 0 | 0 | 0 | 110.5 | A940 C957 C962 F966 C991 | A940-T964 HydrophobicContact CB-CG2 3.93Å; C957-T964 PolarHBondContact N-O 3.4Å; C962-T964 PolarHBondContact O-N 3.23Å; C962-T964 VanDerWaalsContact O-N 3.15Å; C962-T964 PolarHBondContact SG-OG1 3.36Å; T964-F966 HydrophobicContact CG2-CE1 4.21Å; T964-F966 HydrophobicContact CG2-CE2 3.8Å; T964-F966 HydrophobicContact CG2-CZ 3.47Å; T964-F966 VanDerWaalsContact CG2-CZ 3.47Å; T964-C991 HydrophobicContact CG2-CB 4.25Å | ||
| 965 | A | 91.1 | Very high | 86.9 | Confident | 6 Ų | 6 | 34.3 Ų | 34.3 | 5% | 0.05 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 151.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L937 C939 A940 C954 V955 Q956 S963 | L937-A965 HydrophobicContact CB-CB 4.13Å; L937-A965 HydrophobicContact CD1-CB 4.21Å; C939-A965 CarbonylContact C-O 3.55Å; C939-A965 WeakPolarHBondContact CA-O 3.2Å; A940-A965 PolarHBondContact N-O 3.26Å; C954-A965 HydrophobicContact CB-CB 4Å; V955-A965 CarbonylContact O-C 3.53Å; V955-A965 VanDerWaalsContact O-CA 3.24Å; V955-A965 WeakPolarHBondContact O-CA 3.14Å; Q956-A965 HydrophobicContact CG-CB 4.04Å; S963-A965 PolarHBondContact O-N 2.62Å |
| 966 | F | 91.4 | Very high | 86.7 | Confident | 7 Ų | 7 | 34 Ų | 34 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 149.1 | -179.2 | -51.4 | -86.5 | 0 | 0 | 0 | 111.5 | A940 C941 C954 V955 T964 A971 I976 C991 | A940-F966 HydrophobicContact CB-CD1 4.11Å; A940-F966 HydrophobicContact CB-CE1 3.78Å; A940-F966 HydrophobicContact CB-CZ 4.43Å; C941-F966 VanDerWaalsContact SG-CD1 3.54Å; C954-F966 CarbonylContact C-O 3.5Å; C954-F966 WeakPolarHBondContact CA-O 3.18Å; C954-F966 WeakPolarHBondContact CB-O 3.43Å; V955-F966 VanDerWaalsContact CG2-O 3.31Å; V955-F966 WeakPolarHBondContact CG2-O 3.29Å; V955-F966 PolarHBondContact N-O 2.85Å; V955-F966 PolarHBondContact O-N 2.84Å; T964-F966 HydrophobicContact CG2-CE1 4.21Å; T964-F966 HydrophobicContact CG2-CE2 3.8Å; T964-F966 HydrophobicContact CG2-CZ 3.47Å; T964-F966 VanDerWaalsContact CG2-CZ 3.47Å; F966-A971 HydrophobicContact CB-CB 3.91Å; F966-A971 HydrophobicContact CG-CB 4.32Å; F966-I976 HydrophobicContact CD1-CG1 4.48Å; F966-I976 HydrophobicContact CE1-CD1 3.8Å; F966-I976 HydrophobicContact CE1-CG1 4.24Å; F966-I976 HydrophobicContact CE2-CD1 4.32Å; F966-I976 HydrophobicContact CZ-CD1 3.68Å; F966-I976 HydrophobicContact CZ-CG1 4.37Å; F966-C991 HydrophobicContact CE2-CB 3.73Å; F966-C991 HydrophobicContact CZ-CB 3.72Å |
| 967 | H | 91.6 | Very high | 86.4 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 1% | 0.014 | 19% | 0.19 | C | C | . | . | trans | -72.9 | 143.5 | 158.2 | -62.3 | 126.5 | 0 | 0 | 0 | 109.3 | C887 S888 C939 C954 S969 C970 A971 | C887-H967 HydrophobicContact CB-CB 4.11Å; S888-H967 PolarHBondContact OG-ND1 3.47Å; C939-H967 PolarHBondContact SG-N 3.38Å; C939-H967 VanDerWaalsContact SG-N 3.39Å; C954-H967 VanDerWaalsContact SG-CD2 3.54Å; H967-S969 PolarHBondContact O-N 2.91Å; H967-C970 HydrophobicContact CB-CB 4Å; H967-C970 CarbonylContact O-C 3.59Å; H967-C970 WeakPolarHBondContact O-CA 3Å; H967-C970 WeakPolarHBondContact O-CB 3.21Å; H967-C970 PolarHBondContact O-N 3.5Å; H967-A971 PolarHBondContact O-N 2.79Å | ||
| 968 | P | 90.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -52.7 | -50.1 | -176.2 | -30.3 | 36.2 | 0 | 0 | 0 | 114.7 | L906 C907 T910 V911 V955 C970 A971 Q972 | L906-P968 HydrophobicContact CD2-CB 4.12Å; C907-P968 HydrophobicContact CB-CB 4.37Å; C907-P968 HydrophobicContact CB-CG 4.35Å; T910-P968 HydrophobicContact CG2-CB 3.93Å; T910-P968 HydrophobicContact CG2-CG 4.07Å; V911-P968 HydrophobicContact CG2-CG 4.1Å; V955-P968 HydrophobicContact CG1-CG 4.29Å; V955-P968 HydrophobicContact CG2-CG 4.32Å; P968-C970 VanDerWaalsContact C-N 3.31Å; P968-C970 PolarHBondContact O-N 3.31Å; P968-A971 WeakPolarHBondContact O-CB 3.35Å; P968-A971 PolarHBondContact O-N 3.39Å; P968-A971 VanDerWaalsContact O-N 3.11Å; P968-Q972 PolarHBondContact O-N 3.46Å |
| 969 | S | 89.6 | Confident | 86.1 | Confident | 13 Ų | 13 | 30.9 Ų | 30.9 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.4 | -30.4 | 176.5 | 58.5 | 0 | 0 | 0 | 0 | 113.3 | C887 H967 A971 A973 | C887-S969 VanDerWaalsContact CB-OG 3.24Å; C887-S969 WeakPolarHBondContact CB-OG 3Å; C887-S969 PolarHBondContact SG-OG 3.4Å; H967-S969 PolarHBondContact O-N 2.91Å; S969-A971 VanDerWaalsContact C-N 3.32Å; S969-A973 WeakPolarHBondContact O-CB 3.34Å; S969-A973 PolarHBondContact O-N 2.93Å |
| 970 | C | 89.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -75.3 | -19.7 | 173.8 | -63.5 | 0 | 0 | 0 | 0 | 113.2 | C941 H967 P968 A974 | C941-C970 HydrophobicContact CB-CB 4.19Å; C941-C970 PolarHBondContact SG-O 3.44Å; C941-C970 VanDerWaalsContact SG-O 3.37Å; H967-C970 HydrophobicContact CB-CB 4Å; H967-C970 CarbonylContact O-C 3.59Å; H967-C970 WeakPolarHBondContact O-CA 3Å; H967-C970 WeakPolarHBondContact O-CB 3.21Å; H967-C970 PolarHBondContact O-N 3.5Å; P968-C970 VanDerWaalsContact C-N 3.31Å; P968-C970 PolarHBondContact O-N 3.31Å; C970-A974 WeakPolarHBondContact O-CB 3.22Å |
| 971 | A | 89.4 | Confident | 86 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -78.8 | -50.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110 | F966 H967 P968 S969 A973 A974 G975 I976 M978 | F966-A971 HydrophobicContact CB-CB 3.91Å; F966-A971 HydrophobicContact CG-CB 4.32Å; H967-A971 PolarHBondContact O-N 2.79Å; P968-A971 WeakPolarHBondContact O-CB 3.35Å; P968-A971 PolarHBondContact O-N 3.39Å; P968-A971 VanDerWaalsContact O-N 3.11Å; S969-A971 VanDerWaalsContact C-N 3.32Å; A971-A973 PolarHBondContact O-N 2.77Å; A971-A974 PolarHBondContact O-N 3.07Å; A971-G975 PolarHBondContact O-N 2.93Å; A971-I976 HydrophobicContact CB-CB 3.92Å; A971-I976 HydrophobicContact CB-CG1 4Å; A971-I976 HydrophobicContact CB-CG2 4.22Å; A971-I976 VanDerWaalsContact O-CB 3.29Å; A971-I976 WeakPolarHBondContact O-CB 3.3Å; A971-I976 WeakPolarHBondContact O-CG1 3.39Å; A971-I976 PolarHBondContact O-N 2.77Å; A971-M978 HydrophobicContact CB-CE 4.04Å; A971-M978 HydrophobicContact CB-SD 3.95Å |
| 972 | Q | 89.6 | Confident | 85.3 | Confident | 26 Ų | 26 | 25 Ų | 25 | 12% | 0.121 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.4 | -52.6 | 176.5 | -174 | -79.3 | -34.2 | 0 | 0 | 111.3 | L777 L906 P968 A974 G975 M978 | L777-Q972 HydrophobicContact CB-CG 4.43Å; L906-Q972 HydrophobicContact CD1-CG 4.29Å; P968-Q972 PolarHBondContact O-N 3.46Å; Q972-A974 VanDerWaalsContact C-N 3.29Å; Q972-A974 PolarHBondContact O-N 2.84Å; Q972-G975 PolarHBondContact O-N 2.85Å; Q972-G975 VanDerWaalsContact O-N 3.11Å; Q972-M978 HydrophobicContact CB-CE 3.86Å |
| 973 | A | 87.5 | Confident | 83.3 | Confident | 21 Ų | 21 | 34.1 Ų | 34.1 | 17% | 0.174 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.3 | -31 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | W741 L745 L889 S969 A971 G975 | W741-A973 HydrophobicContact CE3-CB 3.97Å; W741-A973 VanDerWaalsContact CE3-O 3.25Å; W741-A973 HydrophobicContact CZ3-CB 3.67Å; L745-A973 HydrophobicContact CD1-CB 3.55Å; L889-A973 HydrophobicContact CD1-CB 4.36Å; S969-A973 WeakPolarHBondContact O-CB 3.34Å; S969-A973 PolarHBondContact O-N 2.93Å; A971-A973 PolarHBondContact O-N 2.77Å; A973-G975 VanDerWaalsContact C-N 3.26Å; A973-G975 PolarHBondContact O-N 3.33Å |
| 974 | A | 86.4 | Confident | 81.2 | Confident | 12 Ų | 12 | 32.5 Ų | 32.5 | 10% | 0.099 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 8.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | W741 C970 A971 Q972 I976 H992 | W741-A974 HydrophobicContact CD2-CB 4.08Å; W741-A974 HydrophobicContact CE3-CB 4.24Å; W741-A974 HydrophobicContact CH2-CB 3.85Å; W741-A974 HydrophobicContact CZ2-CB 3.63Å; W741-A974 HydrophobicContact CZ3-CB 4.16Å; C970-A974 WeakPolarHBondContact O-CB 3.22Å; A971-A974 PolarHBondContact O-N 3.07Å; Q972-A974 VanDerWaalsContact C-N 3.29Å; Q972-A974 PolarHBondContact O-N 2.84Å; A974-I976 VanDerWaalsContact C-N 3.26Å; A974-I976 HydrophobicContact CB-CG1 4.38Å; A974-I976 PolarHBondContact O-N 2.86Å; A974-H992 PolarHBondContact O-CE1 2.65Å |
| 975 | G | 85.1 | Confident | 79.5 | Confident | 23 Ų | 23 | 35.8 Ų | 35.8 | 24% | 0.237 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 25.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A971 Q972 A973 R995 | A971-G975 PolarHBondContact O-N 2.93Å; Q972-G975 PolarHBondContact O-N 2.85Å; Q972-G975 VanDerWaalsContact O-N 3.11Å; A973-G975 VanDerWaalsContact C-N 3.26Å; A973-G975 PolarHBondContact O-N 3.33Å; G975-R995 PolarHBondContact O-NH1 3.08Å |
| 976 | I | 86.9 | Confident | 78.5 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -62.8 | 137.8 | 171.5 | -62.2 | -69.9 | 0 | 0 | 0 | 108.6 | T781 F966 A971 A974 M978 I989 H992 | T781-I976 PolarHBondContact OG1-O 2.82Å; F966-I976 HydrophobicContact CD1-CG1 4.48Å; F966-I976 HydrophobicContact CE1-CD1 3.8Å; F966-I976 HydrophobicContact CE1-CG1 4.24Å; F966-I976 HydrophobicContact CE2-CD1 4.32Å; F966-I976 HydrophobicContact CZ-CD1 3.68Å; F966-I976 HydrophobicContact CZ-CG1 4.37Å; A971-I976 HydrophobicContact CB-CB 3.92Å; A971-I976 HydrophobicContact CB-CG1 4Å; A971-I976 HydrophobicContact CB-CG2 4.22Å; A971-I976 VanDerWaalsContact O-CB 3.29Å; A971-I976 WeakPolarHBondContact O-CB 3.3Å; A971-I976 WeakPolarHBondContact O-CG1 3.39Å; A971-I976 PolarHBondContact O-N 2.77Å; A974-I976 VanDerWaalsContact C-N 3.26Å; A974-I976 HydrophobicContact CB-CG1 4.38Å; A974-I976 PolarHBondContact O-N 2.86Å; I976-M978 HydrophobicContact CG2-CG 4.3Å; I976-M978 PolarHBondContact O-N 3.29Å; I976-I989 HydrophobicContact CG2-CG2 3.81Å; I976-H992 WeakPolarHBondContact CD1-ND1 3.27Å | ||
| 977 | L | 84.3 | Confident | 78 | Confident | 25 Ų | 25 | 37.3 Ų | 37.3 | 13% | 0.131 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 124 | 178.9 | -168.4 | 71.7 | 0 | 0 | 0 | 109.4 | Y782 T990 | Y782-L977 HydrophobicContact CD2-CD1 3.9Å; Y782-L977 HydrophobicContact CD2-CD2 4.31Å; Y782-L977 HydrophobicContact CD2-CG 4.11Å; Y782-L977 HydrophobicContact CG-CD1 4.4Å; L977-T990 PolarHBondContact O-N 3.02Å |
| 978 | M | 87.1 | Confident | 77.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 134.8 | 178.3 | -64.6 | -179.7 | -71.1 | 0 | 0 | 109 | L778 F779 Y782 T910 A971 Q972 I976 V987 F988 I989 | L778-M978 HydrophobicContact CD1-CB 4.49Å; L778-M978 HydrophobicContact CD1-CE 3.8Å; L778-M978 HydrophobicContact CD1-SD 3.92Å; F779-M978 WeakPolarHBondContact CD1-O 3.43Å; Y782-M978 VanDerWaalsContact CB-O 3.31Å; Y782-M978 WeakPolarHBondContact CB-O 3.26Å; T910-M978 HydrophobicContact CG2-SD 4.39Å; A971-M978 HydrophobicContact CB-CE 4.04Å; A971-M978 HydrophobicContact CB-SD 3.95Å; Q972-M978 HydrophobicContact CB-CE 3.86Å; I976-M978 HydrophobicContact CG2-CG 4.3Å; I976-M978 PolarHBondContact O-N 3.29Å; M978-V987 HydrophobicContact CB-CG1 4.34Å; M978-F988 WeakPolarHBondContact CA-O 3.42Å; M978-I989 HydrophobicContact CG-CB 4.38Å; M978-I989 HydrophobicContact CG-CG1 4.09Å; M978-I989 HydrophobicContact CG-CG2 4.05Å; M978-I989 HydrophobicContact SD-CD1 4.42Å; M978-I989 HydrophobicContact SD-CG1 4.39Å; M978-I989 HydrophobicContact SD-CG2 4.43Å |
| 979 | H | 82.7 | Confident | 77.5 | Confident | 30 Ų | 30 | 39.1 Ų | 39.1 | 14% | 0.139 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 158.9 | -178.4 | 61.9 | 90.7 | 0 | 0 | 0 | 111.1 | Y782 V987 F988 | Y782-H979 HydrophobicContact CD1-CB 3.66Å; Y782-H979 HydrophobicContact CD2-CB 3.53Å; Y782-H979 AromaticContact CD2-CD2 3.8Å; Y782-H979 AromaticContact CD2-CG 3.92Å; Y782-H979 HydrophobicContact CE1-CB 3.87Å; Y782-H979 HydrophobicContact CE2-CB 3.75Å; Y782-H979 AromaticContact CE2-CD2 3.71Å; Y782-H979 AromaticContact CE2-CG 3.78Å; Y782-H979 HydrophobicContact CG-CB 3.48Å; Y782-H979 VanDerWaalsContact CG-CB 3.48Å; H979-V987 WeakPolarHBondContact O-CA 3.36Å; H979-F988 AromaticContact CE1-CD1 3.83Å; H979-F988 AromaticContact CE1-CG 3.9Å; H979-F988 PolarHBondContact N-O 3.39Å; H979-F988 AromaticContact NE2-CD1 3.31Å; H979-F988 VanDerWaalsContact NE2-CD1 3.31Å; H979-F988 WeakPolarHBondContact NE2-CD1 3.38Å; H979-F988 AromaticContact NE2-CG 3.84Å; H979-F988 PolarHBondContact O-N 2.67Å |
| 980 | P | 78.4 | Confident | 77.4 | Confident | 45 Ų | 45 | 38.9 Ų | 38.9 | 29% | 0.292 | 20% | 0.203 | S | C | . | . | trans | -64.7 | 146.9 | 164.4 | 30.4 | -34.8 | 0 | 0 | 0 | 109.6 | F779 P811 | F779-P980 HydrophobicContact CD2-CG 4.49Å; F779-P980 HydrophobicContact CE2-CB 4.19Å; F779-P980 HydrophobicContact CE2-CG 4.3Å; F779-P980 HydrophobicContact CZ-CB 4.13Å; P811-P980 HydrophobicContact CG-CB 4.12Å; P811-P980 HydrophobicContact CG-CG 4.21Å | ||
| 981 | D | 73.2 | Confident | 77.3 | Confident | 58 Ų | 58 | 39 Ų | 39 | 31% | 0.31 | 20% | 0.203 | S | C | . | . | trans | -154.2 | 162.8 | 179.8 | -176.9 | 24.2 | 0 | 0 | 0 | 108.4 | F985 V986 F988 | D981-F985 WeakPolarHBondContact CB-O 3.36Å; D981-V986 WeakPolarHBondContact O-CA 3.24Å; D981-F988 HydrophobicContact CB-CB 3.64Å; D981-F988 WeakPolarHBondContact OD2-CD2 3.15Å | ||
| 982 | D | 57.4 | Low | 76.9 | Confident | 121 Ų | 121 | 44 Ų | 44 | 65% | 0.647 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -69.1 | 162.7 | -171.4 | -84 | -35.1 | 0 | 0 | 0 | 113.3 | F985 | D982-F985 PolarHBondContact O-N 2.73Š|
| 983 | W | 40.2 | Very low | 76.4 | Confident | 201 Ų | 201 | 51.4 Ų | 51.4 | 76% | 0.761 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 129.6 | 176.3 | -172.4 | 94.6 | 0 | 0 | 0 | 110.8 | ||
| 984 | P | 42.9 | Very low | 76 | Confident | 63 Ų | 63 | 53.5 Ų | 53.5 | 41% | 0.409 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -97 | 7.9 | 17.1 | 38.1 | -37.6 | 0 | 0 | 0 | 116.2 | ||
| 985 | F | 54.9 | Low | 75.2 | Confident | 98 Ų | 98 | 58 Ų | 58 | 43% | 0.43 | 27% | 0.274 | S | S | . | . | trans | -110.3 | 59.9 | -169.6 | -62.7 | -64.3 | 0 | 0 | 0 | 113.7 | L912 D981 D982 V987 | L912-F985 HydrophobicContact CD1-CD1 4.32Å; D981-F985 WeakPolarHBondContact CB-O 3.36Å; D982-F985 PolarHBondContact O-N 2.73Å; F985-V987 CarbonylContact O-C 3.51Å; F985-V987 VanDerWaalsContact O-C 3.25Å; F985-V987 WeakPolarHBondContact O-CA 3.37Å; F985-V987 PolarHBondContact O-N 3.09Å | ||
| 986 | V | 68.9 | Low | 73.6 | Confident | 40 Ų | 40 | 60 Ų | 60 | 24% | 0.242 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -47.3 | -21.6 | -179.1 | -169.1 | 0 | 0 | 0 | 0 | 115.2 | C814 L912 D981 | C814-V986 HydrophobicContact CB-CG1 4.28Å; L912-V986 HydrophobicContact CD2-CB 3.89Å; L912-V986 HydrophobicContact CD2-CG2 4.31Å; D981-V986 WeakPolarHBondContact O-CA 3.24Å |
| 987 | V | 81.6 | Confident | 71.5 | Confident | 5 Ų | 5 | 65.4 Ų | 65.4 | 3% | 0.03 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -130.3 | 120.1 | 160.3 | 178.9 | 0 | 0 | 0 | 0 | 109.7 | L778 F779 I909 T910 M978 H979 F985 I989 | L778-V987 HydrophobicContact CD2-CG2 4.34Å; F779-V987 HydrophobicContact CE1-CG1 4.08Å; F779-V987 HydrophobicContact CE1-CG2 4.07Å; F779-V987 HydrophobicContact CZ-CG2 3.99Å; I909-V987 HydrophobicContact CG2-CG2 3.89Å; I909-V987 WeakPolarHBondContact O-CG2 3.18Å; T910-V987 HydrophobicContact CG2-CG1 4.29Å; M978-V987 HydrophobicContact CB-CG1 4.34Å; H979-V987 WeakPolarHBondContact O-CA 3.36Å; F985-V987 CarbonylContact O-C 3.51Å; F985-V987 VanDerWaalsContact O-C 3.25Å; F985-V987 WeakPolarHBondContact O-CA 3.37Å; F985-V987 PolarHBondContact O-N 3.09Å; V987-I989 HydrophobicContact CG1-CD1 4.43Å; V987-I989 HydrophobicContact CG1-CG1 3.98Å |
| 988 | F | 83.9 | Confident | 69.3 | Low | 36 Ų | 36 | 68.7 Ų | 68.7 | 16% | 0.158 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 134 | 174.4 | -168.2 | -86.7 | 0 | 0 | 0 | 111.1 | H959 M978 H979 D981 T990 | H959-F988 AromaticContact CE1-CE1 3.65Å; H959-F988 AromaticContact ND1-CE1 3.43Å; H959-F988 WeakPolarHBondContact ND1-CE1 3.3Å; H959-F988 AromaticContact ND1-CZ 3.65Å; M978-F988 WeakPolarHBondContact CA-O 3.42Å; H979-F988 AromaticContact CE1-CD1 3.83Å; H979-F988 AromaticContact CE1-CG 3.9Å; H979-F988 PolarHBondContact N-O 3.39Å; H979-F988 AromaticContact NE2-CD1 3.31Å; H979-F988 VanDerWaalsContact NE2-CD1 3.31Å; H979-F988 WeakPolarHBondContact NE2-CD1 3.38Å; H979-F988 AromaticContact NE2-CG 3.84Å; H979-F988 PolarHBondContact O-N 2.67Å; D981-F988 HydrophobicContact CB-CB 3.64Å; D981-F988 WeakPolarHBondContact OD2-CD2 3.15Å; F988-T990 WeakPolarHBondContact CE1-OG1 3.44Å |
| 989 | I | 88.1 | Confident | 67.1 | Low | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 118.7 | -167.4 | -52.2 | -177.3 | 0 | 0 | 0 | 111 | T910 V955 C957 S958 I976 M978 V987 | T910-I989 HydrophobicContact CG2-CD1 3.79Å; V955-I989 HydrophobicContact CB-CD1 3.82Å; V955-I989 HydrophobicContact CG2-CD1 3.51Å; C957-I989 CarbonylContact C-O 3.56Å; C957-I989 VanDerWaalsContact CA-O 3.29Å; C957-I989 WeakPolarHBondContact CA-O 3.25Å; C957-I989 PolarHBondContact SG-O 3.18Å; S958-I989 PolarHBondContact N-O 3.49Å; S958-I989 PolarHBondContact OG-N 3.16Å; I976-I989 HydrophobicContact CG2-CG2 3.81Å; M978-I989 HydrophobicContact CG-CB 4.38Å; M978-I989 HydrophobicContact CG-CG1 4.09Å; M978-I989 HydrophobicContact CG-CG2 4.05Å; M978-I989 HydrophobicContact SD-CD1 4.42Å; M978-I989 HydrophobicContact SD-CG1 4.39Å; M978-I989 HydrophobicContact SD-CG2 4.43Å; V987-I989 HydrophobicContact CG1-CD1 4.43Å; V987-I989 HydrophobicContact CG1-CG1 3.98Å |
| 990 | T | 86.4 | Confident | 65 | Low | 9 Ų | 9 | 77.5 Ų | 77.5 | 6% | 0.055 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 107.4 | -175.5 | -65.6 | 0 | 0 | 0 | 0 | 112.3 | H959 L977 F988 H994 R995 | H959-T990 PolarHBondContact CE1-OG1 3.45Å; H959-T990 PolarHBondContact ND1-OG1 2.85Å; H959-T990 VanDerWaalsContact ND1-OG1 3.17Å; L977-T990 PolarHBondContact O-N 3.02Å; F988-T990 WeakPolarHBondContact CE1-OG1 3.44Å; T990-H994 HydrophobicContact CG2-CB 4.27Å; T990-R995 HydrophobicContact CG2-CB 4.43Å |
| 991 | C | 87.9 | Confident | 63.3 | Low | 1 Ų | 1 | 83.7 Ų | 83.7 | 1% | 0.007 | 42% | 0.422 | C | S | . | . | trans | -71.4 | 159 | -179 | 74.1 | 0 | 0 | 0 | 0 | 113.3 | C957 C962 T964 F966 R993 H994 R995 | C957-C991 HydrophobicContact CB-CB 3.89Å; C957-C991 PolarHBondContact SG-N 3Å; C962-C991 VanDerWaalsContact SG-SG 3.62Å; T964-C991 HydrophobicContact CG2-CB 4.25Å; F966-C991 HydrophobicContact CE2-CB 3.73Å; F966-C991 HydrophobicContact CZ-CB 3.72Å; C991-R993 PolarHBondContact O-N 3.21Å; C991-H994 CarbonylContact O-C 3.34Å; C991-H994 PolarHBondContact O-N 3.42Å; C991-R995 PolarHBondContact O-N 3.04Å | ||
| 992 | H | 82 | Confident | 62.2 | Low | 105 Ų | 105 | 84.6 Ų | 84.6 | 49% | 0.486 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -18.5 | 177.4 | -72 | 119.1 | 0 | 0 | 0 | 116.5 | A974 I976 R995 | A974-H992 PolarHBondContact O-CE1 2.65Å; I976-H992 WeakPolarHBondContact CD1-ND1 3.27Å; H992-R995 PolarHBondContact NE2-NH1 3.05Å |
| 993 | R | 79.1 | Confident | 61.6 | Low | 183 Ų | 183 | 84.5 Ų | 84.5 | 69% | 0.691 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -21.9 | 173.7 | -69.5 | -180 | 59 | -132.5 | -8.7 | 113.9 | C991 | C991-R993 PolarHBondContact O-N 3.21Š|
| 994 | H | 77.8 | Confident | 62 | Low | 64 Ų | 64 | 83.5 Ų | 83.5 | 30% | 0.296 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -10.5 | -178.9 | -59.3 | 156.4 | 0 | 0 | 0 | 112.6 | H959 C962 T990 C991 A996 | H959-H994 HydrophobicContact CB-CB 4.12Å; H959-H994 WeakPolarHBondContact CB-ND1 3.31Å; H959-H994 AromaticContact CG-ND1 3.95Å; C962-H994 PolarHBondContact SG-CE1 3.25Å; T990-H994 HydrophobicContact CG2-CB 4.27Å; C991-H994 CarbonylContact O-C 3.34Å; C991-H994 PolarHBondContact O-N 3.42Å; H994-A996 PolarHBondContact O-N 3.08Å |
| 995 | R | 69.9 | Low | 61.8 | Low | 107 Ų | 107 | 85.6 Ų | 85.6 | 40% | 0.404 | 45% | 0.445 | S | S | . | . | trans | -62.8 | 79.3 | 155.5 | -169.4 | -175.6 | -166.5 | 155.4 | 10.1 | 108.5 | G975 T990 C991 H992 | G975-R995 PolarHBondContact O-NH1 3.08Å; T990-R995 HydrophobicContact CG2-CB 4.43Å; C991-R995 PolarHBondContact O-N 3.04Å; H992-R995 PolarHBondContact NE2-NH1 3.05Å | ||
| 996 | A | 51.4 | Low | 61.5 | Low | 66 Ų | 66 | 84.5 Ų | 84.5 | 55% | 0.545 | 45% | 0.449 | S | S | . | . | trans | -52.7 | 153 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | H994 V998 | H994-A996 PolarHBondContact O-N 3.08Å; A996-V998 PolarHBondContact O-N 3.08Å; A996-V998 VanDerWaalsContact O-N 3.14Å | ||
| 997 | P | 42.1 | Very low | 61.2 | Low | 112 Ų | 112 | 84.2 Ų | 84.2 | 73% | 0.727 | 45% | 0.446 | S | S | * | . | trans | -55.2 | 126.5 | 162.4 | 26.5 | -33.1 | 0 | 0 | 0 | 107.1 | L999 | P997-L999 VanDerWaalsContact C-N 3.26Å; P997-L999 PolarHBondContact O-N 3.38Å | ||
| 998 | V | 40.1 | Very low | 60.3 | Low | 95 Ų | 95 | 94 Ų | 94 | 58% | 0.576 | 48% | 0.483 | S | S | * | . | trans | -64.9 | 96.5 | 170.6 | 179.2 | 0 | 0 | 0 | 0 | 105.6 | A996 | A996-V998 PolarHBondContact O-N 3.08Å; A996-V998 VanDerWaalsContact O-N 3.14Å | ||
| 999 | L | 39.5 | Very low | 59.4 | Low | 110 Ų | 110 | 98.5 Ų | 98.5 | 58% | 0.576 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 122.5 | 148.8 | -72 | 170.1 | 0 | 0 | 0 | 104 | P997 E1001 | P997-L999 VanDerWaalsContact C-N 3.26Å; P997-L999 PolarHBondContact O-N 3.38Å; L999-E1001 PolarHBondContact O-N 3.29Å |
| 1000 | P | 38.7 | Very low | 59 | Low | 105 Ų | 105 | 98.7 Ų | 98.7 | 68% | 0.682 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -54 | 139.4 | -179.7 | 23.3 | -33.3 | 0 | 0 | 0 | 108.4 | R1002 | P1000-R1002 PolarHBondContact O-N 3.34Š|
| 1001 | E | 42.5 | Very low | 58.7 | Low | 174 Ų | 174 | 101.5 Ų | 101.5 | 81% | 0.813 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 138.8 | 168 | -61.4 | -158.4 | 127.2 | 0 | 0 | 108 | L999 N1003 | L999-E1001 PolarHBondContact O-N 3.29Å; E1001-N1003 PolarHBondContact O-N 2.79Å |
| 1002 | R | 50.2 | Low | 58.5 | Low | 77 Ų | 77 | 105.3 Ų | 105.3 | 29% | 0.291 | 55% | 0.552 | S | S | . | * | trans | -53.1 | 106.4 | -172.3 | -80 | 168.7 | 125.7 | -175.2 | -6.9 | 108.8 | P1000 K1004 L1007 E1112 I1114 E1119 | P1000-R1002 PolarHBondContact O-N 3.34Å; R1002-K1004 PolarHBondContact O-N 3.13Å; R1002-L1007 HydrophobicContact CB-CD1 4.39Å; R1002-L1007 HydrophobicContact CB-CD2 4.18Å; R1002-L1007 HydrophobicContact CB-CG 4.47Å; R1002-L1007 HydrophobicContact CG-CD2 4.31Å; R1002-E1112 PolarHBondContact NH1-O 3.06Å; R1002-I1114 VanDerWaalsContact CZ-O 3.29Å; R1002-I1114 PolarHBondContact NH1-O 3.21Å; R1002-I1114 PolarHBondContact NH2-O 2.66Å; R1002-E1119 IonicContact CZ-OE2 2.88Å; R1002-E1119 IonicContact NH2-OE1 2.72Å; R1002-E1119 IonicContact NH2-OE2 2.7Å; R1002-E1119 PolarHBondContact NH2-OE2 3.05Å | ||
| 1003 | N | 44.3 | Very low | 58.3 | Low | 119 Ų | 119 | 102.2 Ų | 102.2 | 64% | 0.636 | 55% | 0.549 | S | S | * | . | trans | -49.4 | 114 | 178.2 | -110.2 | -15.8 | 0 | 0 | 0 | 107.3 | E1001 A1005 S1006 | E1001-N1003 PolarHBondContact O-N 2.79Å; N1003-A1005 PolarHBondContact O-N 3.01Å; N1003-A1005 VanDerWaalsContact O-N 3.1Å; N1003-S1006 WeakPolarHBondContact CB-OG 3.31Å; N1003-S1006 WeakPolarHBondContact O-CA 3.34Å; N1003-S1006 WeakPolarHBondContact O-CB 3.49Å; N1003-S1006 PolarHBondContact O-N 2.95Å; N1003-S1006 PolarHBondContact O-OG 2.84Å | ||
| 1004 | K | 48.8 | Very low | 58.6 | Low | 180 Ų | 180 | 97.7 Ų | 97.7 | 78% | 0.783 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -57.4 | -32.6 | -174.3 | -81.1 | -177.3 | 173.3 | 178.3 | 0 | 111.2 | R1002 S1006 | R1002-K1004 PolarHBondContact O-N 3.13Å; K1004-S1006 PolarHBondContact O-N 3.04Å |
| 1005 | A | 39.8 | Very low | 59 | Low | 108 Ų | 108 | 100.9 Ų | 100.9 | 89% | 0.893 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -68.3 | -2.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116 | N1003 | N1003-A1005 PolarHBondContact O-N 3.01Å; N1003-A1005 VanDerWaalsContact O-N 3.1Å |
| 1006 | S | 47.6 | Very low | 59.9 | Low | 75 Ų | 75 | 95.8 Ų | 95.8 | 52% | 0.524 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -113.5 | -9.7 | -178.2 | 70.5 | 0 | 0 | 0 | 0 | 114.4 | N1003 K1004 R1008 | N1003-S1006 WeakPolarHBondContact CB-OG 3.31Å; N1003-S1006 WeakPolarHBondContact O-CA 3.34Å; N1003-S1006 WeakPolarHBondContact O-CB 3.49Å; N1003-S1006 PolarHBondContact O-N 2.95Å; N1003-S1006 PolarHBondContact O-OG 2.84Å; K1004-S1006 PolarHBondContact O-N 3.04Å; S1006-R1008 PolarHBondContact O-N 3.35Å |
| 1007 | L | 63.1 | Low | 61.6 | Low | 34 Ų | 34 | 92.7 Ų | 92.7 | 18% | 0.178 | 50% | 0.503 | C | S | . | . | trans | -78.8 | 100.8 | 176.7 | -64.7 | 175.1 | 0 | 0 | 0 | 109.5 | R1002 R1111 | R1002-L1007 HydrophobicContact CB-CD1 4.39Å; R1002-L1007 HydrophobicContact CB-CD2 4.18Å; R1002-L1007 HydrophobicContact CB-CG 4.47Å; R1002-L1007 HydrophobicContact CG-CD2 4.31Å; L1007-R1111 HydrophobicContact CB-CG 4.37Å; L1007-R1111 HydrophobicContact CD1-CG 4.48Å | ||
| 1008 | R | 62.3 | Low | 63.6 | Low | 210 Ų | 210 | 87.4 Ų | 87.4 | 79% | 0.792 | 47% | 0.469 | S | S | * | . | trans | -61.3 | 139.1 | 173.9 | -63.4 | -178.8 | -178.6 | 176.5 | 0.4 | 110.5 | S1006 R1111 | S1006-R1008 PolarHBondContact O-N 3.35Å; R1008-R1111 VanDerWaalsContact O-CZ 3.25Å; R1008-R1111 PolarHBondContact O-NE 2.68Å; R1008-R1111 PolarHBondContact O-NH2 3.04Å | ||
| 1009 | D | 65.6 | Low | 65.6 | Low | 131 Ų | 131 | 85.4 Ų | 85.4 | 70% | 0.701 | 45% | 0.453 | S | S | * | . | trans | -61.8 | 148.8 | 169.3 | -63 | -58.5 | 0 | 0 | 0 | 111 | ||||
| 1010 | L | 79.9 | Confident | 67.6 | Low | 8 Ų | 8 | 81.1 Ų | 81.1 | 4% | 0.042 | 43% | 0.43 | C | S | . | . | trans | -116.1 | 119.6 | -175.1 | -47.2 | 171 | 0 | 0 | 0 | 108.4 | V1016 L1033 Y1097 I1114 T1116 | L1010-V1016 HydrophobicContact CD1-CG1 4.12Å; L1010-L1033 WeakPolarHBondContact O-CD1 3.48Å; L1010-L1033 WeakPolarHBondContact O-CD2 3.19Å; L1010-Y1097 HydrophobicContact CB-CD1 4.19Å; L1010-Y1097 HydrophobicContact CB-CE1 3.75Å; L1010-Y1097 HydrophobicContact CD1-CD1 4.41Å; L1010-Y1097 HydrophobicContact CD1-CE1 4.3Å; L1010-Y1097 HydrophobicContact CG-CE1 4.21Å; L1010-Y1097 WeakPolarHBondContact O-CE1 3.2Å; L1010-I1114 HydrophobicContact CD1-CB 4.28Å; L1010-I1114 HydrophobicContact CD1-CD1 4.34Å; L1010-I1114 HydrophobicContact CD1-CG2 3.62Å; L1010-T1116 HydrophobicContact CD2-CG2 3.46Å; L1010-T1116 VanDerWaalsContact CD2-CG2 3.46Å | ||
| 1011 | S | 80.9 | Confident | 69.3 | Low | 67 Ų | 67 | 81 Ų | 81 | 47% | 0.469 | 42% | 0.418 | S | S | . | . | trans | -76.4 | 162.8 | 170.4 | 73.3 | 0 | 0 | 0 | 0 | 111.7 | H1014 | S1011-H1014 PolarHBondContact N-ND1 2.88Å; S1011-H1014 VanDerWaalsContact N-ND1 3.18Å; S1011-H1014 WeakPolarHBondContact O-CB 3.29Å; S1011-H1014 PolarHBondContact O-N 3.4Å; S1011-H1014 PolarHBondContact O-ND1 3.31Å; S1011-H1014 PolarHBondContact OG-CE1 3.13Å; S1011-H1014 PolarHBondContact OG-ND1 3.19Å | ||
| 1012 | V | 82.3 | Confident | 70.7 | Confident | 81 Ų | 81 | 76.2 Ų | 76.2 | 49% | 0.491 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | 145.1 | 161.5 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | H1014 V1030 V1031 L1033 | V1012-H1014 VanDerWaalsContact C-N 3.33Å; V1012-V1030 CarbonylContact C-O 3.42Å; V1012-V1030 VanDerWaalsContact CA-O 3.32Å; V1012-V1030 WeakPolarHBondContact CA-O 3.42Å; V1012-V1031 VanDerWaalsContact CG1-O 3.25Å; V1012-V1031 WeakPolarHBondContact CG1-O 3.14Å; V1012-V1031 WeakPolarHBondContact CG2-O 3.4Å; V1012-L1033 HydrophobicContact CG2-CD1 3.72Å |
| 1013 | G | 79 | Confident | 71.5 | Confident | 41 Ų | 41 | 75.8 Ų | 75.8 | 42% | 0.423 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | -3.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | V1030 | G1013-V1030 PolarHBondContact N-O 3.13Š|
| 1014 | H | 84.9 | Confident | 73 | Confident | 88 Ų | 88 | 74.9 Ų | 74.9 | 41% | 0.407 | 39% | 0.394 | S | S | . | . | trans | -74.5 | 129.4 | 173 | -80.6 | 99.4 | 0 | 0 | 0 | 111.6 | S1011 V1012 V1016 V1030 | S1011-H1014 PolarHBondContact N-ND1 2.88Å; S1011-H1014 VanDerWaalsContact N-ND1 3.18Å; S1011-H1014 WeakPolarHBondContact O-CB 3.29Å; S1011-H1014 PolarHBondContact O-N 3.4Å; S1011-H1014 PolarHBondContact O-ND1 3.31Å; S1011-H1014 PolarHBondContact OG-CE1 3.13Å; S1011-H1014 PolarHBondContact OG-ND1 3.19Å; V1012-H1014 VanDerWaalsContact C-N 3.33Å; H1014-V1016 HydrophobicContact CB-CG1 4.3Å; H1014-V1030 PolarHBondContact O-N 2.84Å | ||
| 1015 | K | 85.5 | Confident | 74.6 | Confident | 131 Ų | 131 | 67.3 Ų | 67.3 | 57% | 0.57 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 130.5 | 165.2 | -62.8 | -161.4 | 175.6 | -158.2 | 0 | 109.8 | E1029 P1117 | K1015-E1029 VanDerWaalsContact CE-OE2 3.31Å; K1015-E1029 WeakPolarHBondContact CE-OE2 3.45Å; K1015-P1117 WeakPolarHBondContact O-CD 3.37Å |
| 1016 | V | 88.6 | Confident | 76.7 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 173.6 | -175.9 | -59 | 0 | 0 | 0 | 0 | 110 | L1010 H1014 Y1027 S1028 V1030 V1099 I1114 Y1115 | L1010-V1016 HydrophobicContact CD1-CG1 4.12Å; H1014-V1016 HydrophobicContact CB-CG1 4.3Å; V1016-Y1027 CarbonylContact O-C 3.54Å; V1016-Y1027 WeakPolarHBondContact O-CA 3.31Å; V1016-S1028 WeakPolarHBondContact CG2-O 3.41Å; V1016-S1028 WeakPolarHBondContact CG2-OG 3.25Å; V1016-S1028 PolarHBondContact N-O 3.24Å; V1016-S1028 PolarHBondContact O-N 2.87Å; V1016-S1028 VanDerWaalsContact O-O 3.06Å; V1016-V1030 HydrophobicContact CG1-CG2 3.84Å; V1016-V1030 HydrophobicContact CG2-CG2 4Å; V1016-V1099 HydrophobicContact CG2-CG1 3.88Å; V1016-I1114 HydrophobicContact CB-CG2 3.53Å; V1016-I1114 HydrophobicContact CG1-CG2 3.78Å; V1016-I1114 HydrophobicContact CG2-CG2 3.8Å; V1016-Y1115 CarbonylContact C-O 3.54Å; V1016-Y1115 WeakPolarHBondContact CA-O 3.4Å; V1016-Y1115 WeakPolarHBondContact CB-O 3.42Å |
| 1017 | I | 87.1 | Confident | 78.5 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 121.8 | 176.4 | -64.9 | 165.4 | 0 | 0 | 0 | 108.1 | Y1025 Y1026 Y1027 Y1115 L1121 V1125 M1129 | I1017-Y1025 HydrophobicContact CG2-CD1 4.37Å; I1017-Y1026 WeakPolarHBondContact CA-O 3.25Å; I1017-Y1027 HydrophobicContact CD1-CD1 4.21Å; I1017-Y1027 HydrophobicContact CD1-CE1 3.64Å; I1017-Y1027 HydrophobicContact CG1-CD1 3.62Å; I1017-Y1027 HydrophobicContact CG1-CE1 3.59Å; I1017-Y1027 HydrophobicContact CG1-CG 4.39Å; I1017-Y1115 PolarHBondContact N-O 3.26Å; I1017-Y1115 PolarHBondContact O-N 2.96Å; I1017-Y1115 VanDerWaalsContact O-N 3.08Å; I1017-L1121 HydrophobicContact CD1-CD1 3.46Å; I1017-L1121 VanDerWaalsContact CD1-CD1 3.46Å; I1017-L1121 HydrophobicContact CD1-CD2 3.99Å; I1017-L1121 HydrophobicContact CD1-CG 4.35Å; I1017-V1125 HydrophobicContact CG2-CG1 4.12Å; I1017-M1129 HydrophobicContact CD1-SD 3.95Å |
| 1018 | C | 84.4 | Confident | 79.7 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.007 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 162.4 | -177.9 | -164.6 | 0 | 0 | 0 | 0 | 111.6 | Y1025 Y1026 S1028 V1099 F1101 | C1018-Y1025 WeakPolarHBondContact O-CA 3.39Å; C1018-Y1026 PolarHBondContact N-O 3.2Å; C1018-Y1026 VanDerWaalsContact N-O 3.07Å; C1018-Y1026 PolarHBondContact O-N 2.99Å; C1018-Y1026 VanDerWaalsContact O-N 3.09Å; C1018-S1028 WeakPolarHBondContact CB-OG 3.36Å; C1018-V1099 HydrophobicContact CB-CG2 3.93Å; C1018-F1101 HydrophobicContact CB-CE1 4.01Å; C1018-F1101 HydrophobicContact CB-CZ 3.87Å |
| 1019 | K | 83.4 | Confident | 81 | Confident | 54 Ų | 54 | 56.2 Ų | 56.2 | 24% | 0.235 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 108.8 | 177.2 | -177.5 | -149.1 | 163.8 | -157.8 | 0 | 109.8 | K518 C1023 R1024 Y1025 L1107 | K518-K1019 HydrophobicContact CD-CD 4.44Å; K1019-C1023 WeakPolarHBondContact CE-SG 3.41Å; K1019-C1023 PolarHBondContact NZ-SG 3.26Å; K1019-C1023 VanDerWaalsContact NZ-SG 3.4Å; K1019-R1024 WeakPolarHBondContact CA-O 3.38Å; K1019-Y1025 HydrophobicContact CB-CD1 4.05Å; K1019-Y1025 HydrophobicContact CB-CE1 3.73Å; K1019-Y1025 HydrophobicContact CG-CE1 4.47Å; K1019-L1107 WeakPolarHBondContact O-CD2 3.45Å |
| 1020 | H | 80.5 | Confident | 82 | Confident | 20 Ų | 20 | 50 Ų | 50 | 9% | 0.093 | 25% | 0.254 | C | S | . | . | trans | -70.7 | 164.4 | 176.2 | -177.3 | -125.6 | 0 | 0 | 0 | 112.2 | N1022 C1023 R1024 Y1026 F1101 S1105 | H1020-N1022 PolarHBondContact ND1-ND2 2.7Å; H1020-N1022 PolarHBondContact O-N 2.84Å; H1020-N1022 VanDerWaalsContact O-N 3.13Å; H1020-C1023 WeakPolarHBondContact O-CA 3.45Å; H1020-C1023 PolarHBondContact O-N 3.1Å; H1020-R1024 PolarHBondContact N-O 3.18Å; H1020-Y1026 HydrophobicContact CB-CD2 3.6Å; H1020-Y1026 HydrophobicContact CB-CE2 3.83Å; H1020-F1101 HydrophobicContact CB-CD1 4.38Å; H1020-F1101 HydrophobicContact CB-CE1 3.98Å; H1020-F1101 HydrophobicContact CB-CE2 4.4Å; H1020-F1101 HydrophobicContact CB-CZ 4Å; H1020-F1101 AromaticContact CD2-CD2 3.84Å; H1020-F1101 AromaticContact CD2-CE2 3.88Å; H1020-S1105 PolarHBondContact NE2-OG 2.75Å | ||
| 1021 | K | 74.3 | Confident | 82.3 | Confident | 101 Ų | 101 | 52.3 Ų | 52.3 | 44% | 0.439 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -33.2 | -178.7 | -66.1 | 173.2 | -178.6 | 170.4 | 0 | 112.6 | L522 C1023 | L522-K1021 HydrophobicContact CD2-CD 4.1Å; L522-K1021 HydrophobicContact CD2-CG 4.38Å; K1021-C1023 PolarHBondContact O-N 3.18Å; K1021-C1023 VanDerWaalsContact O-N 3.13Å |
| 1022 | N | 72.4 | Confident | 82.5 | Confident | 75 Ų | 75 | 53.4 Ų | 53.4 | 40% | 0.401 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 5.2 | 174.5 | 72.6 | 16.6 | 0 | 0 | 0 | 115.3 | H1020 R1024 Y1026 | H1020-N1022 PolarHBondContact ND1-ND2 2.7Å; H1020-N1022 PolarHBondContact O-N 2.84Å; H1020-N1022 VanDerWaalsContact O-N 3.13Å; N1022-R1024 VanDerWaalsContact C-N 3.33Å; N1022-R1024 PolarHBondContact O-N 2.96Å; N1022-R1024 WeakPolarHBondContact OD1-CB 3.48Å; N1022-R1024 PolarHBondContact OD1-N 2.8Å; N1022-Y1026 PolarHBondContact ND2-OH 2.8Å; N1022-Y1026 WeakPolarHBondContact OD1-CE2 3.1Å |
| 1023 | C | 67.4 | Low | 82.6 | Confident | 67 Ų | 67 | 53 Ų | 53 | 45% | 0.453 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 65.9 | 17.8 | 179 | -65.1 | 0 | 0 | 0 | 0 | 117.4 | K1019 H1020 K1021 | K1019-C1023 WeakPolarHBondContact CE-SG 3.41Å; K1019-C1023 PolarHBondContact NZ-SG 3.26Å; K1019-C1023 VanDerWaalsContact NZ-SG 3.4Å; H1020-C1023 WeakPolarHBondContact O-CA 3.45Å; H1020-C1023 PolarHBondContact O-N 3.1Å; K1021-C1023 PolarHBondContact O-N 3.18Å; K1021-C1023 VanDerWaalsContact O-N 3.13Å |
| 1024 | R | 74.2 | Confident | 82.6 | Confident | 101 Ų | 101 | 53.5 Ų | 53.5 | 38% | 0.381 | 26% | 0.256 | S | S | . | . | trans | -100.4 | 166 | 165.3 | -63.2 | 168.1 | 170.7 | -143.4 | 13.9 | 110.9 | K1019 H1020 N1022 Y1026 S1130 D1134 | K1019-R1024 WeakPolarHBondContact CA-O 3.38Å; H1020-R1024 PolarHBondContact N-O 3.18Å; N1022-R1024 VanDerWaalsContact C-N 3.33Å; N1022-R1024 PolarHBondContact O-N 2.96Å; N1022-R1024 WeakPolarHBondContact OD1-CB 3.48Å; N1022-R1024 PolarHBondContact OD1-N 2.8Å; R1024-Y1026 HydrophobicContact CB-CD2 4.39Å; R1024-Y1026 HydrophobicContact CB-CE2 3.63Å; R1024-Y1026 WeakPolarHBondContact CD-OH 3.37Å; R1024-S1130 PolarHBondContact NH1-OG 3.21Å; R1024-D1134 IonicContact CZ-OD2 3.56Å; R1024-D1134 IonicContact NH1-OD2 3.69Å; R1024-D1134 PolarHBondContact NH1-OD2 3.21Å; R1024-D1134 IonicContact NH2-OD2 2.95Å | ||
| 1025 | Y | 82.8 | Confident | 82.3 | Confident | 20 Ų | 20 | 54.2 Ų | 54.2 | 8% | 0.078 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 136.9 | 175.2 | -67.4 | -93.7 | 0 | 0 | 0 | 110.6 | I1017 C1018 K1019 Y1115 V1125 R1128 M1129 S1130 | I1017-Y1025 HydrophobicContact CG2-CD1 4.37Å; C1018-Y1025 WeakPolarHBondContact O-CA 3.39Å; K1019-Y1025 HydrophobicContact CB-CD1 4.05Å; K1019-Y1025 HydrophobicContact CB-CE1 3.73Å; K1019-Y1025 HydrophobicContact CG-CE1 4.47Å; Y1025-Y1115 HydrophobicContact CE1-CE2 4.05Å; Y1025-V1125 HydrophobicContact CD1-CG1 3.94Å; Y1025-V1125 HydrophobicContact CD1-CG2 4.39Å; Y1025-V1125 HydrophobicContact CD2-CG1 4.36Å; Y1025-V1125 HydrophobicContact CE1-CG1 4.39Å; Y1025-V1125 HydrophobicContact CE1-CG2 4.01Å; Y1025-V1125 HydrophobicContact CE2-CG2 4.26Å; Y1025-V1125 HydrophobicContact CG-CG1 3.92Å; Y1025-R1128 HydrophobicContact CD2-CB 4.04Å; Y1025-R1128 PolarHBondContact N-O 2.92Å; Y1025-M1129 WeakPolarHBondContact O-CA 3.42Å; Y1025-S1130 PolarHBondContact O-N 3.33Å |
| 1026 | Y | 84.8 | Confident | 82 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 2% | 0.024 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 165.5 | 179.3 | -62.2 | -91.1 | 0 | 0 | 0 | 109.9 | I1017 C1018 H1020 N1022 R1024 S1130 M1135 | I1017-Y1026 WeakPolarHBondContact CA-O 3.25Å; C1018-Y1026 PolarHBondContact N-O 3.2Å; C1018-Y1026 VanDerWaalsContact N-O 3.07Å; C1018-Y1026 PolarHBondContact O-N 2.99Å; C1018-Y1026 VanDerWaalsContact O-N 3.09Å; H1020-Y1026 HydrophobicContact CB-CD2 3.6Å; H1020-Y1026 HydrophobicContact CB-CE2 3.83Å; N1022-Y1026 PolarHBondContact ND2-OH 2.8Å; N1022-Y1026 WeakPolarHBondContact OD1-CE2 3.1Å; R1024-Y1026 HydrophobicContact CB-CD2 4.39Å; R1024-Y1026 HydrophobicContact CB-CE2 3.63Å; R1024-Y1026 WeakPolarHBondContact CD-OH 3.37Å; Y1026-S1130 WeakPolarHBondContact CD1-O 3.29Å; Y1026-M1135 HydrophobicContact CD1-CG 4.22Å; Y1026-M1135 HydrophobicContact CD1-SD 3.73Å; Y1026-M1135 HydrophobicContact CE1-CG 3.5Å; Y1026-M1135 VanDerWaalsContact CE1-CG 3.5Å; Y1026-M1135 HydrophobicContact CE1-SD 3.64Å; Y1026-M1135 HydrophobicContact CG-SD 4.32Å |
| 1027 | Y | 86.1 | Confident | 81.7 | Confident | 100 Ų | 100 | 51.1 Ų | 51.1 | 39% | 0.392 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 145 | 162.9 | -66.1 | -79.7 | 0 | 0 | 0 | 110.3 | V1016 I1017 P1117 | V1016-Y1027 CarbonylContact O-C 3.54Å; V1016-Y1027 WeakPolarHBondContact O-CA 3.31Å; I1017-Y1027 HydrophobicContact CD1-CD1 4.21Å; I1017-Y1027 HydrophobicContact CD1-CE1 3.64Å; I1017-Y1027 HydrophobicContact CG1-CD1 3.62Å; I1017-Y1027 HydrophobicContact CG1-CE1 3.59Å; I1017-Y1027 HydrophobicContact CG1-CG 4.39Å; Y1027-P1117 HydrophobicContact CE1-CG 4.37Å |
| 1028 | S | 87.5 | Confident | 81.5 | Confident | 8 Ų | 8 | 51.7 Ų | 51.7 | 6% | 0.056 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 158.5 | 177.5 | 54.2 | 0 | 0 | 0 | 0 | 108.8 | V1016 C1018 E1100 | V1016-S1028 WeakPolarHBondContact CG2-O 3.41Å; V1016-S1028 WeakPolarHBondContact CG2-OG 3.25Å; V1016-S1028 PolarHBondContact N-O 3.24Å; V1016-S1028 PolarHBondContact O-N 2.87Å; V1016-S1028 VanDerWaalsContact O-O 3.06Å; C1018-S1028 WeakPolarHBondContact CB-OG 3.36Å; S1028-E1100 CarbonylContact C-O 3.45Å; S1028-E1100 WeakPolarHBondContact CA-O 3.46Å; S1028-E1100 WeakPolarHBondContact CB-O 3.45Å |
| 1029 | E | 88.9 | Confident | 81.5 | Confident | 81 Ų | 81 | 52 Ų | 52 | 38% | 0.379 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 140 | 176.3 | -158.1 | 158.8 | 126.6 | 0 | 0 | 110.2 | K1015 V1031 V1099 E1100 | K1015-E1029 VanDerWaalsContact CE-OE2 3.31Å; K1015-E1029 WeakPolarHBondContact CE-OE2 3.45Å; E1029-V1031 PolarHBondContact O-N 3.41Å; E1029-V1099 CarbonylContact O-C 3.46Å; E1029-V1099 VanDerWaalsContact O-CA 3.25Å; E1029-V1099 WeakPolarHBondContact O-CA 3.31Å; E1029-E1100 PolarHBondContact N-O 3.02Å; E1029-E1100 PolarHBondContact O-N 3.47Å |
| 1030 | V | 87.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 111.8 | 173.5 | -179.2 | 0 | 0 | 0 | 0 | 108.2 | V1012 G1013 H1014 V1016 L1033 Y1097 V1099 | V1012-V1030 CarbonylContact C-O 3.42Å; V1012-V1030 VanDerWaalsContact CA-O 3.32Å; V1012-V1030 WeakPolarHBondContact CA-O 3.42Å; G1013-V1030 PolarHBondContact N-O 3.13Å; H1014-V1030 PolarHBondContact O-N 2.84Å; V1016-V1030 HydrophobicContact CG1-CG2 3.84Å; V1016-V1030 HydrophobicContact CG2-CG2 4Å; V1030-L1033 HydrophobicContact CG1-CD1 3.78Å; V1030-Y1097 HydrophobicContact CG1-CD1 4.23Å; V1030-V1099 HydrophobicContact CG2-CG1 4.11Å |
| 1031 | V | 86.3 | Confident | 81.8 | Confident | 56 Ų | 56 | 49.9 Ų | 49.9 | 34% | 0.339 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -35.5 | -177.8 | 177.4 | 0 | 0 | 0 | 0 | 111.7 | V1012 E1029 M1098 E1100 | V1012-V1031 VanDerWaalsContact CG1-O 3.25Å; V1012-V1031 WeakPolarHBondContact CG1-O 3.14Å; V1012-V1031 WeakPolarHBondContact CG2-O 3.4Å; E1029-V1031 PolarHBondContact O-N 3.41Å; V1031-M1098 PolarHBondContact N-O 3.36Å; V1031-E1100 HydrophobicContact CG2-CB 3.48Å; V1031-E1100 VanDerWaalsContact CG2-CB 3.48Å |
| 1032 | E | 83.6 | Confident | 82.1 | Confident | 91 Ų | 91 | 47.6 Ų | 47.6 | 43% | 0.425 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 145.8 | -179.1 | -160.1 | 179.7 | 155.3 | 0 | 0 | 111.5 | T1034 M1098 | E1032-T1034 HydrophobicContact CG-CG2 4.21Å; E1032-T1034 WeakPolarHBondContact OE1-CG2 3.22Å; E1032-M1098 HydrophobicContact CB-CB 4.1Å; E1032-M1098 HydrophobicContact CB-CE 3.79Å; E1032-M1098 PolarHBondContact N-O 3.42Å; E1032-M1098 PolarHBondContact O-N 3.4Å; E1032-M1098 WeakPolarHBondContact OE2-CE 3.48Å |
| 1033 | L | 84.1 | Confident | 82.7 | Confident | 73 Ų | 73 | 44.3 Ų | 44.3 | 38% | 0.382 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 121.7 | 163.7 | -79.7 | 83.1 | 0 | 0 | 0 | 108.4 | L1010 V1012 V1030 Y1097 | L1010-L1033 WeakPolarHBondContact O-CD1 3.48Å; L1010-L1033 WeakPolarHBondContact O-CD2 3.19Å; V1012-L1033 HydrophobicContact CG2-CD1 3.72Å; V1030-L1033 HydrophobicContact CG1-CD1 3.78Å; L1033-Y1097 HydrophobicContact CD1-CD1 4.38Å; L1033-Y1097 HydrophobicContact CD2-CD1 4.17Å; L1033-Y1097 HydrophobicContact CD2-CE1 3.67Å; L1033-Y1097 HydrophobicContact CG-CD1 3.93Å; L1033-Y1097 HydrophobicContact CG-CE1 3.97Å |
| 1034 | T | 80.5 | Confident | 83 | Confident | 51 Ų | 51 | 46.3 Ų | 46.3 | 31% | 0.313 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 151.9 | 173.6 | 49.9 | 0 | 0 | 0 | 0 | 109 | E1032 M1096 | E1032-T1034 HydrophobicContact CG-CG2 4.21Å; E1032-T1034 WeakPolarHBondContact OE1-CG2 3.22Å; T1034-M1096 PolarHBondContact N-O 3.43Å; T1034-M1096 WeakPolarHBondContact O-CA 3.35Å; T1034-M1096 WeakPolarHBondContact O-CB 3.32Å; T1034-M1096 PolarHBondContact O-N 3.08Å; T1034-M1096 PolarHBondContact OG1-O 3.4Å |
| 1035 | T | 79.2 | Confident | 82.7 | Confident | 103 Ų | 103 | 44.6 Ų | 44.6 | 63% | 0.632 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 111.9 | 172.5 | -59.1 | 0 | 0 | 0 | 0 | 108.2 | ||
| 1036 | A | 78.2 | Confident | 81.8 | Confident | 23 Ų | 23 | 46.7 Ų | 46.7 | 19% | 0.19 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 126.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | F1038 V1094 M1096 | A1036-F1038 HydrophobicContact CB-CD2 4.43Å; A1036-F1038 HydrophobicContact CB-CE2 3.66Å; A1036-F1038 HydrophobicContact CB-CZ 3.91Å; A1036-V1094 PolarHBondContact N-O 3.13Å; A1036-V1094 PolarHBondContact O-N 2.9Å; A1036-M1096 HydrophobicContact CB-CG 3.6Å |
| 1037 | T | 81.5 | Confident | 81 | Confident | 43 Ų | 43 | 47.5 Ų | 47.5 | 26% | 0.264 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 125.9 | 170.8 | -63.8 | 0 | 0 | 0 | 0 | 108.9 | Y1039 P1054 S1093 | T1037-Y1039 HydrophobicContact CG2-CD1 4.04Å; T1037-Y1039 HydrophobicContact CG2-CE1 3.66Å; T1037-P1054 WeakPolarHBondContact O-CD 3.12Å; T1037-S1093 PolarHBondContact OG1-OG 2.87Å |
| 1038 | F | 83.7 | Confident | 80.8 | Confident | 12 Ų | 12 | 48.1 Ų | 48.1 | 5% | 0.053 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 148.1 | 172.8 | -63.8 | -82.6 | 0 | 0 | 0 | 110.3 | A1036 L1052 F1053 S1091 H1092 V1094 | A1036-F1038 HydrophobicContact CB-CD2 4.43Å; A1036-F1038 HydrophobicContact CB-CE2 3.66Å; A1036-F1038 HydrophobicContact CB-CZ 3.91Å; F1038-L1052 CarbonylContact C-O 3.49Å; F1038-L1052 WeakPolarHBondContact CA-O 3.27Å; F1038-F1053 HydrophobicContact CD1-CE1 4.4Å; F1038-F1053 HydrophobicContact CE1-CD1 4.17Å; F1038-F1053 AromaticContact CE1-CE1 3.61Å; F1038-F1053 HydrophobicContact CE1-CE1 3.61Å; F1038-F1053 HydrophobicContact CE1-CE2 4.31Å; F1038-F1053 AromaticContact CE1-CZ 3.7Å; F1038-F1053 HydrophobicContact CE1-CZ 3.7Å; F1038-F1053 HydrophobicContact CZ-CE1 4.12Å; F1038-F1053 HydrophobicContact CZ-CZ 4.35Å; F1038-S1091 CarbonylContact O-C 3.55Å; F1038-S1091 WeakPolarHBondContact O-CA 3.34Å; F1038-H1092 PolarHBondContact N-O 3.26Å; F1038-H1092 PolarHBondContact O-N 3.18Å; F1038-V1094 HydrophobicContact CD2-CB 4.1Å; F1038-V1094 HydrophobicContact CD2-CG2 3.91Å; F1038-V1094 HydrophobicContact CE2-CB 4.08Å; F1038-V1094 HydrophobicContact CE2-CG2 4.34Å |
| 1039 | Y | 84 | Confident | 80.4 | Confident | 6 Ų | 6 | 48.1 Ų | 48.1 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 138.4 | 179.5 | -70.3 | -13.4 | 0 | 0 | 0 | 111.8 | T1037 D1050 L1052 P1054 I1057 C1062 P1067 F1088 | T1037-Y1039 HydrophobicContact CG2-CD1 4.04Å; T1037-Y1039 HydrophobicContact CG2-CE1 3.66Å; Y1039-D1050 CarbonylContact O-C 3.56Å; Y1039-L1052 PolarHBondContact N-O 3.43Å; Y1039-L1052 PolarHBondContact O-N 3.04Å; Y1039-P1054 HydrophobicContact CD2-CB 4.47Å; Y1039-P1054 HydrophobicContact CE1-CG 4.23Å; Y1039-P1054 HydrophobicContact CE2-CB 3.74Å; Y1039-P1054 HydrophobicContact CE2-CG 4.09Å; Y1039-I1057 HydrophobicContact CD2-CD1 3.54Å; Y1039-I1057 HydrophobicContact CD2-CG1 4.29Å; Y1039-I1057 HydrophobicContact CE2-CD1 3.91Å; Y1039-C1062 HydrophobicContact CE2-CB 3.69Å; Y1039-P1067 HydrophobicContact CE1-CB 3.92Å; Y1039-P1067 WeakPolarHBondContact OH-CA 3.44Å; Y1039-F1088 AromaticContact CD1-CE2 3.75Å; Y1039-F1088 HydrophobicContact CD1-CE2 3.75Å; Y1039-F1088 HydrophobicContact CD1-CZ 4.41Å; Y1039-F1088 HydrophobicContact CD2-CE2 4.18Å; Y1039-F1088 HydrophobicContact CE1-CE2 4.31Å; Y1039-F1088 HydrophobicContact CG-CD2 4.32Å; Y1039-F1088 AromaticContact CG-CE2 3.69Å; Y1039-F1088 HydrophobicContact CG-CE2 3.69Å |
| 1040 | E | 84.7 | Confident | 80 | Confident | 30 Ų | 30 | 47.4 Ų | 47.4 | 14% | 0.14 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 126.1 | 176.4 | -171.5 | -176.6 | 154.2 | 0 | 0 | 109.4 | Y1048 S1049 V1089 A1090 H1092 | E1040-Y1048 HydrophobicContact CG-CE2 3.5Å; E1040-Y1048 VanDerWaalsContact CG-CE2 3.5Å; E1040-Y1048 WeakPolarHBondContact CG-OH 3.01Å; E1040-Y1048 VanDerWaalsContact OE1-CE2 3.24Å; E1040-Y1048 WeakPolarHBondContact OE1-CE2 3.37Å; E1040-Y1048 PolarHBondContact OE1-OH 3.37Å; E1040-S1049 CarbonylContact C-O 3.55Å; E1040-S1049 VanDerWaalsContact CA-O 3.28Å; E1040-S1049 WeakPolarHBondContact CA-O 3.36Å; E1040-V1089 HydrophobicContact CB-CB 4.24Å; E1040-V1089 HydrophobicContact CG-CB 3.97Å; E1040-V1089 HydrophobicContact CG-CG1 4.41Å; E1040-V1089 PolarHBondContact O-N 2.88Å; E1040-A1090 HydrophobicContact CB-CB 4.2Å; E1040-A1090 WeakPolarHBondContact CB-O 3.14Å; E1040-A1090 PolarHBondContact N-O 3.35Å; E1040-H1092 IonicContact OE2-CD2 2.73Å; E1040-H1092 IonicContact OE2-CE1 2.78Å; E1040-H1092 IonicContact OE2-NE2 3.7Å; E1040-H1092 PolarHBondContact OE2-NE2 3.4Å |
| 1041 | V | 85 | Confident | 79.7 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 149.9 | -179.8 | -48.6 | 0 | 0 | 0 | 0 | 111.9 | F1043 Y1048 S1049 L1052 V1074 A1086 K1087 | V1041-F1043 HydrophobicContact CG2-CD2 4.2Å; V1041-F1043 HydrophobicContact CG2-CE1 4.42Å; V1041-F1043 HydrophobicContact CG2-CE2 3.68Å; V1041-F1043 HydrophobicContact CG2-CZ 3.8Å; V1041-Y1048 WeakPolarHBondContact O-CA 3.04Å; V1041-S1049 PolarHBondContact N-O 3.04Å; V1041-S1049 PolarHBondContact O-N 3.09Å; V1041-L1052 HydrophobicContact CB-CD1 4.31Å; V1041-L1052 HydrophobicContact CG1-CD1 3.85Å; V1041-L1052 HydrophobicContact CG2-CD1 3.44Å; V1041-L1052 VanDerWaalsContact CG2-CD1 3.44Å; V1041-V1074 HydrophobicContact CG1-CG2 4.33Å; V1041-A1086 HydrophobicContact CB-CB 4.04Å; V1041-A1086 HydrophobicContact CG2-CB 4Å; V1041-K1087 CarbonylContact C-O 3.47Å; V1041-K1087 VanDerWaalsContact CA-O 3.27Å; V1041-K1087 WeakPolarHBondContact CA-O 3.45Å |
| 1042 | V | 82.5 | Confident | 79.4 | Confident | 54 Ų | 54 | 48.1 Ų | 48.1 | 33% | 0.327 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 121 | 165.8 | 172.6 | 0 | 0 | 0 | 0 | 108.4 | S1047 Y1048 A1086 K1087 V1089 | V1042-S1047 CarbonylContact C-O 3.52Å; V1042-S1047 WeakPolarHBondContact CA-O 3.37Å; V1042-Y1048 HydrophobicContact CG2-CD2 3.94Å; V1042-A1086 CarbonylContact O-C 3.5Å; V1042-A1086 VanDerWaalsContact O-CA 3.32Å; V1042-A1086 WeakPolarHBondContact O-CA 3.47Å; V1042-A1086 WeakPolarHBondContact O-CB 3.36Å; V1042-K1087 PolarHBondContact N-O 2.87Å; V1042-K1087 PolarHBondContact O-N 3.35Å; V1042-V1089 HydrophobicContact CG2-CG2 3.98Å |
| 1043 | F | 84.2 | Confident | 79.3 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 2% | 0.022 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 157.7 | 178.9 | -67.6 | -86.7 | 0 | 0 | 0 | 111.8 | F511 V1041 D1045 G1046 S1047 L1052 V1076 W1078 A1086 | F511-F1043 AromaticContact CE1-CD2 3.93Å; F511-F1043 HydrophobicContact CE1-CD2 3.93Å; F511-F1043 AromaticContact CE1-CE2 3.74Å; F511-F1043 HydrophobicContact CE1-CE2 3.74Å; F511-F1043 HydrophobicContact CE1-CZ 4.48Å; F511-F1043 AromaticContact CZ-CD2 3.57Å; F511-F1043 HydrophobicContact CZ-CD2 3.57Å; F511-F1043 AromaticContact CZ-CE2 3.64Å; F511-F1043 HydrophobicContact CZ-CE2 3.64Å; F511-F1043 HydrophobicContact CZ-CG 4.06Å; F511-F1043 HydrophobicContact CZ-CZ 4.17Å; V1041-F1043 HydrophobicContact CG2-CD2 4.2Å; V1041-F1043 HydrophobicContact CG2-CE1 4.42Å; V1041-F1043 HydrophobicContact CG2-CE2 3.68Å; V1041-F1043 HydrophobicContact CG2-CZ 3.8Å; F1043-D1045 WeakPolarHBondContact CB-OD1 3.43Å; F1043-D1045 PolarHBondContact O-N 2.71Å; F1043-G1046 PolarHBondContact O-N 3.2Å; F1043-S1047 WeakPolarHBondContact CB-OG 3.36Å; F1043-S1047 WeakPolarHBondContact CD2-OG 3.2Å; F1043-S1047 PolarHBondContact N-O 2.83Å; F1043-L1052 HydrophobicContact CZ-CD1 4.49Å; F1043-V1076 HydrophobicContact CE1-CB 4.1Å; F1043-V1076 HydrophobicContact CE1-CG1 4.37Å; F1043-V1076 HydrophobicContact CE1-CG2 4.38Å; F1043-V1076 HydrophobicContact CZ-CG1 4.37Å; F1043-W1078 HydrophobicContact CE2-CH2 4.47Å; F1043-W1078 HydrophobicContact CE2-CZ3 4.06Å; F1043-W1078 AromaticContact CZ-CE3 3.79Å; F1043-W1078 HydrophobicContact CZ-CE3 3.79Å; F1043-W1078 HydrophobicContact CZ-CH2 4.42Å; F1043-W1078 AromaticContact CZ-CZ3 3.62Å; F1043-W1078 HydrophobicContact CZ-CZ3 3.62Å; F1043-A1086 HydrophobicContact CB-CB 4.49Å; F1043-A1086 HydrophobicContact CD1-CB 3.68Å; F1043-A1086 HydrophobicContact CE1-CB 4.03Å; F1043-A1086 HydrophobicContact CG-CB 4.11Å |
| 1044 | D | 72.9 | Confident | 79.2 | Confident | 109 Ų | 109 | 43.6 Ų | 43.6 | 58% | 0.583 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -10 | -179.3 | -76.8 | -38.2 | 0 | 0 | 0 | 114.2 | G1085 K1087 | D1044-G1085 PolarHBondContact N-O 3.41Å; D1044-G1085 WeakPolarHBondContact OD2-CA 3.26Å; D1044-K1087 IonicContact OD1-NZ 2.74Å |
| 1045 | D | 67.7 | Low | 79.2 | Confident | 66 Ų | 66 | 47.1 Ų | 47.1 | 35% | 0.353 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -2.6 | 171.1 | 76.8 | -20.4 | 0 | 0 | 0 | 114.1 | A507 S508 F1043 S1047 | A507-D1045 HydrophobicContact CB-CB 4.26Å; A507-D1045 VanDerWaalsContact CB-OD2 3.3Å; A507-D1045 WeakPolarHBondContact CB-OD2 3.32Å; S508-D1045 WeakPolarHBondContact CA-OD2 3.31Å; S508-D1045 WeakPolarHBondContact CB-OD2 3.24Å; S508-D1045 PolarHBondContact N-OD2 2.66Å; F1043-D1045 WeakPolarHBondContact CB-OD1 3.43Å; F1043-D1045 PolarHBondContact O-N 2.71Å; D1045-S1047 VanDerWaalsContact OD1-CB 3.31Å; D1045-S1047 WeakPolarHBondContact OD1-CB 3.43Å; D1045-S1047 PolarHBondContact OD1-N 2.69Å; D1045-S1047 PolarHBondContact OD1-OG 3.13Å |
| 1046 | G | 64.5 | Low | 79.4 | Confident | 63 Ų | 63 | 44.4 Ų | 44.4 | 65% | 0.649 | 25% | 0.246 | S | C | * | . | S | Bend | trans | 90.2 | 2.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | F1043 | F1043-G1046 PolarHBondContact O-N 3.2Š|
| 1047 | S | 68 | Low | 79.6 | Confident | 23 Ų | 23 | 43.7 Ų | 43.7 | 16% | 0.161 | 24% | 0.239 | C | C | . | . | trans | -77.3 | 168.3 | 169.7 | 65.4 | 0 | 0 | 0 | 0 | 112.3 | F511 V1042 F1043 D1045 | F511-S1047 WeakPolarHBondContact CE2-OG 3.38Å; F511-S1047 WeakPolarHBondContact CZ-OG 3.47Å; V1042-S1047 CarbonylContact C-O 3.52Å; V1042-S1047 WeakPolarHBondContact CA-O 3.37Å; F1043-S1047 WeakPolarHBondContact CB-OG 3.36Å; F1043-S1047 WeakPolarHBondContact CD2-OG 3.2Å; F1043-S1047 PolarHBondContact N-O 2.83Å; D1045-S1047 VanDerWaalsContact OD1-CB 3.31Å; D1045-S1047 WeakPolarHBondContact OD1-CB 3.43Å; D1045-S1047 PolarHBondContact OD1-N 2.69Å; D1045-S1047 PolarHBondContact OD1-OG 3.13Å | ||
| 1048 | Y | 81.2 | Confident | 79.6 | Confident | 113 Ų | 113 | 45.7 Ų | 45.7 | 44% | 0.443 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 146.9 | -167.9 | 173 | -95 | 0 | 0 | 0 | 111.7 | E1040 V1041 V1042 D1050 | E1040-Y1048 HydrophobicContact CG-CE2 3.5Å; E1040-Y1048 VanDerWaalsContact CG-CE2 3.5Å; E1040-Y1048 WeakPolarHBondContact CG-OH 3.01Å; E1040-Y1048 VanDerWaalsContact OE1-CE2 3.24Å; E1040-Y1048 WeakPolarHBondContact OE1-CE2 3.37Å; E1040-Y1048 PolarHBondContact OE1-OH 3.37Å; V1041-Y1048 WeakPolarHBondContact O-CA 3.04Å; V1042-Y1048 HydrophobicContact CG2-CD2 3.94Å; Y1048-D1050 HydrophobicContact CE1-CB 3.9Å |
| 1049 | S | 80 | Confident | 79.5 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 6% | 0.056 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 138.2 | 170.9 | -175.9 | 0 | 0 | 0 | 0 | 111.2 | E1040 V1041 | E1040-S1049 CarbonylContact C-O 3.55Å; E1040-S1049 VanDerWaalsContact CA-O 3.28Å; E1040-S1049 WeakPolarHBondContact CA-O 3.36Å; V1041-S1049 PolarHBondContact N-O 3.04Å; V1041-S1049 PolarHBondContact O-N 3.09Å |
| 1050 | D | 80.3 | Confident | 79 | Confident | 67 Ų | 67 | 50.2 Ų | 50.2 | 36% | 0.358 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | -1.6 | -177.8 | 65.8 | -35.1 | 0 | 0 | 0 | 113.7 | Y1039 Y1048 | Y1039-D1050 CarbonylContact O-C 3.56Å; Y1048-D1050 HydrophobicContact CE1-CB 3.9Å |
| 1051 | N | 81.4 | Confident | 78.5 | Confident | 64 Ų | 64 | 52 Ų | 52 | 34% | 0.342 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 29.2 | -173.5 | -75.1 | -93.3 | 0 | 0 | 0 | 113 | K1110 | N1051-K1110 PolarHBondContact OD1-NZ 3.14Å |
| 1052 | L | 81.2 | Confident | 78 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 151 | 171.8 | -78.2 | 166.2 | 0 | 0 | 0 | 112 | F1038 Y1039 V1041 F1043 D1056 V1076 W1078 | F1038-L1052 CarbonylContact C-O 3.49Å; F1038-L1052 WeakPolarHBondContact CA-O 3.27Å; Y1039-L1052 PolarHBondContact N-O 3.43Å; Y1039-L1052 PolarHBondContact O-N 3.04Å; V1041-L1052 HydrophobicContact CB-CD1 4.31Å; V1041-L1052 HydrophobicContact CG1-CD1 3.85Å; V1041-L1052 HydrophobicContact CG2-CD1 3.44Å; V1041-L1052 VanDerWaalsContact CG2-CD1 3.44Å; F1043-L1052 HydrophobicContact CZ-CD1 4.49Å; L1052-D1056 HydrophobicContact CD2-CB 3.83Å; L1052-D1056 WeakPolarHBondContact CD2-OD2 3.44Å; L1052-V1076 HydrophobicContact CD1-CG1 3.72Å; L1052-V1076 HydrophobicContact CD1-CG2 4.05Å; L1052-V1076 HydrophobicContact CD2-CG1 3.58Å; L1052-V1076 HydrophobicContact CG-CG1 4.32Å; L1052-W1078 HydrophobicContact CD1-CZ3 4.41Å; L1052-W1078 HydrophobicContact CD2-CE3 3.96Å; L1052-W1078 HydrophobicContact CD2-CZ3 3.7Å; L1052-W1078 HydrophobicContact CG-CZ3 4.16Å |
| 1053 | F | 81.6 | Confident | 77.2 | Confident | 52 Ų | 52 | 52.7 Ų | 52.7 | 23% | 0.228 | 29% | 0.291 | C | S | . | . | trans | -91.5 | 158.6 | 171.2 | -67.3 | -84.9 | 0 | 0 | 0 | 111.9 | T520 F1038 E1055 D1056 | T520-F1053 HydrophobicContact CG2-CE2 4.05Å; F1038-F1053 HydrophobicContact CD1-CE1 4.4Å; F1038-F1053 HydrophobicContact CE1-CD1 4.17Å; F1038-F1053 AromaticContact CE1-CE1 3.61Å; F1038-F1053 HydrophobicContact CE1-CE1 3.61Å; F1038-F1053 HydrophobicContact CE1-CE2 4.31Å; F1038-F1053 AromaticContact CE1-CZ 3.7Å; F1038-F1053 HydrophobicContact CE1-CZ 3.7Å; F1038-F1053 HydrophobicContact CZ-CE1 4.12Å; F1038-F1053 HydrophobicContact CZ-CZ 4.35Å; F1053-E1055 PolarHBondContact O-N 2.89Å; F1053-D1056 PolarHBondContact N-OD2 2.87Å; F1053-D1056 WeakPolarHBondContact O-CB 3.38Å; F1053-D1056 PolarHBondContact O-N 3.45Å; F1053-D1056 VanDerWaalsContact O-N 3.1Å | ||
| 1054 | P | 81 | Confident | 76.4 | Confident | 17 Ų | 17 | 62.3 Ų | 62.3 | 11% | 0.11 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -60 | -29.1 | 174.8 | -24.4 | 35.8 | 0 | 0 | 0 | 113.8 | T1037 Y1039 D1056 C1062 | T1037-P1054 WeakPolarHBondContact O-CD 3.12Å; Y1039-P1054 HydrophobicContact CD2-CB 4.47Å; Y1039-P1054 HydrophobicContact CE1-CG 4.23Å; Y1039-P1054 HydrophobicContact CE2-CB 3.74Å; Y1039-P1054 HydrophobicContact CE2-CG 4.09Å; P1054-D1056 VanDerWaalsContact C-N 3.29Å; P1054-D1056 PolarHBondContact O-N 2.79Å; P1054-C1062 HydrophobicContact CB-CB 4.13Å |
| 1055 | E | 80.9 | Confident | 76.4 | Confident | 125 Ų | 125 | 63 Ų | 63 | 58% | 0.584 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -76.1 | -13.4 | 177.9 | -59.6 | 72.9 | -157.2 | 0 | 0 | 113.4 | F1053 I1057 | F1053-E1055 PolarHBondContact O-N 2.89Å; E1055-I1057 VanDerWaalsContact C-N 3.26Å |
| 1056 | D | 83.7 | Confident | 76.6 | Confident | 46 Ų | 46 | 60.9 Ų | 60.9 | 25% | 0.246 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -78 | -11.6 | 175.8 | -62.3 | -36.1 | 0 | 0 | 0 | 112 | L1052 F1053 P1054 V1076 R1077 | L1052-D1056 HydrophobicContact CD2-CB 3.83Å; L1052-D1056 WeakPolarHBondContact CD2-OD2 3.44Å; F1053-D1056 PolarHBondContact N-OD2 2.87Å; F1053-D1056 WeakPolarHBondContact O-CB 3.38Å; F1053-D1056 PolarHBondContact O-N 3.45Å; F1053-D1056 VanDerWaalsContact O-N 3.1Å; P1054-D1056 VanDerWaalsContact C-N 3.29Å; P1054-D1056 PolarHBondContact O-N 2.79Å; D1056-V1076 HydrophobicContact CB-CG1 4.43Å; D1056-V1076 CarbonylContact O-C 3.55Å; D1056-V1076 WeakPolarHBondContact O-CA 3.27Å; D1056-R1077 PolarHBondContact O-N 3Å |
| 1057 | I | 82.2 | Confident | 77.5 | Confident | 9 Ų | 9 | 61.1 Ų | 61.1 | 5% | 0.046 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -89.9 | 115.1 | 174.3 | -63.1 | -173.7 | 0 | 0 | 0 | 109.7 | Y1039 E1055 N1059 Q1060 P1068 V1074 | Y1039-I1057 HydrophobicContact CD2-CD1 3.54Å; Y1039-I1057 HydrophobicContact CD2-CG1 4.29Å; Y1039-I1057 HydrophobicContact CE2-CD1 3.91Å; E1055-I1057 VanDerWaalsContact C-N 3.26Å; I1057-N1059 WeakPolarHBondContact CG2-OD1 3.42Å; I1057-Q1060 HydrophobicContact CG2-CB 4.41Å; I1057-P1068 HydrophobicContact CD1-CG 4Å; I1057-V1074 HydrophobicContact CD1-CB 4.27Å; I1057-V1074 HydrophobicContact CD1-CG1 4.13Å; I1057-V1074 HydrophobicContact CD1-CG2 4.49Å; I1057-V1074 HydrophobicContact CG2-CB 4.26Å; I1057-V1074 HydrophobicContact CG2-CG1 4.4Å |
| 1058 | E | 80.7 | Confident | 78.3 | Confident | 84 Ų | 84 | 60.5 Ų | 60.5 | 39% | 0.393 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -86.9 | -31.6 | -179.6 | -72.8 | -159.8 | -130.6 | 0 | 0 | 114.1 | Q1060 Q1075 R1077 L1083 | E1058-Q1060 VanDerWaalsContact C-N 3.25Å; E1058-Q1060 PolarHBondContact O-N 3.13Å; E1058-Q1075 PolarHBondContact N-O 3.49Å; E1058-R1077 VanDerWaalsContact CD-CZ 3.48Å; E1058-R1077 HydrophobicContact CG-CB 4.14Å; E1058-R1077 IonicContact OE1-CZ 3.78Å; E1058-R1077 IonicContact OE1-NE 3.13Å; E1058-R1077 PolarHBondContact OE1-NE 3.34Å; E1058-R1077 IonicContact OE1-NH2 3.38Å; E1058-R1077 PolarHBondContact OE1-NH2 3.3Å; E1058-R1077 IonicContact OE2-CZ 3.79Å; E1058-R1077 IonicContact OE2-NH2 2.72Å; E1058-R1077 PolarHBondContact OE2-NH2 2.98Å; E1058-L1083 HydrophobicContact CB-CD2 3.89Å; E1058-L1083 HydrophobicContact CG-CD2 3.79Å; E1058-L1083 VanDerWaalsContact OE1-CD2 3.32Å; E1058-L1083 WeakPolarHBondContact OE1-CD2 3.12Å; E1058-L1083 WeakPolarHBondContact OE1-CG 3.22Å |
| 1059 | N | 81.4 | Confident | 78.3 | Confident | 72 Ų | 72 | 59.1 Ų | 59.1 | 39% | 0.385 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -80.6 | -2.7 | -172.3 | 74.4 | -52.5 | 0 | 0 | 0 | 114.4 | I1057 P1073 V1074 Q1075 | I1057-N1059 WeakPolarHBondContact CG2-OD1 3.42Å; N1059-P1073 PolarHBondContact ND2-O 3.14Å; N1059-V1074 VanDerWaalsContact OD1-CA 3.31Å; N1059-V1074 WeakPolarHBondContact OD1-CA 3.45Å; N1059-Q1075 HydrophobicContact CB-CB 4.07Å; N1059-Q1075 HydrophobicContact CB-CG 4.17Å; N1059-Q1075 PolarHBondContact OD1-N 3.45Å |
| 1060 | Q | 74.5 | Confident | 78.3 | Confident | 42 Ų | 42 | 62.5 Ų | 62.5 | 20% | 0.196 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -151.8 | 130 | 175.4 | -177.7 | 173 | -33.7 | 0 | 0 | 108.9 | I1057 E1058 C1062 L1065 | I1057-Q1060 HydrophobicContact CG2-CB 4.41Å; E1058-Q1060 VanDerWaalsContact C-N 3.25Å; E1058-Q1060 PolarHBondContact O-N 3.13Å; Q1060-C1062 PolarHBondContact O-N 2.95Å; Q1060-L1065 HydrophobicContact CG-CD1 3.95Å |
| 1061 | D | 73 | Confident | 78.1 | Confident | 66 Ų | 66 | 61.9 Ų | 61.9 | 35% | 0.353 | 36% | 0.355 | S | S | . | . | trans | -69.9 | 76.9 | 173.3 | 178.2 | -6.5 | 0 | 0 | 0 | 109.5 | A1063 R1064 L1065 | D1061-A1063 VanDerWaalsContact C-N 3.26Å; D1061-A1063 PolarHBondContact O-N 2.8Å; D1061-R1064 PolarHBondContact O-N 2.94Å; D1061-R1064 WeakPolarHBondContact OD1-CB 3.46Å; D1061-R1064 PolarHBondContact OD1-N 3.45Å; D1061-R1064 VanDerWaalsContact OD2-CD 3.31Å; D1061-R1064 WeakPolarHBondContact OD2-CD 3.5Å; D1061-R1064 IonicContact OD2-CZ 3.49Å; D1061-R1064 IonicContact OD2-NE 3.35Å; D1061-R1064 IonicContact OD2-NH1 2.61Å; D1061-R1064 PolarHBondContact OD2-NH1 3.41Å; D1061-L1065 HydrophobicContact CB-CD1 4.29Å; D1061-L1065 HydrophobicContact CB-CG 4.5Å; D1061-L1065 WeakPolarHBondContact O-CB 3.42Å; D1061-L1065 WeakPolarHBondContact O-CG 3.49Å; D1061-L1065 PolarHBondContact O-N 2.87Å | ||
| 1062 | C | 74.4 | Confident | 78.1 | Confident | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.034 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.4 | -22.4 | -175.7 | -77.4 | 0 | 0 | 0 | 0 | 113.5 | Y1039 P1054 Q1060 R1064 G1066 | Y1039-C1062 HydrophobicContact CE2-CB 3.69Å; P1054-C1062 HydrophobicContact CB-CB 4.13Å; Q1060-C1062 PolarHBondContact O-N 2.95Å; C1062-R1064 VanDerWaalsContact C-N 3.3Å; C1062-R1064 PolarHBondContact O-N 2.91Å; C1062-G1066 WeakPolarHBondContact CA-O 3.43Å; C1062-G1066 VanDerWaalsContact O-CA 3.3Å; C1062-G1066 WeakPolarHBondContact O-CA 3.45Å; C1062-G1066 PolarHBondContact O-N 2.92Å; C1062-G1066 PolarHBondContact SG-O 2.95Å; C1062-G1066 VanDerWaalsContact SG-O 3.36Å |
| 1063 | A | 65.5 | Low | 78.3 | Confident | 65 Ų | 65 | 65.7 Ų | 65.7 | 54% | 0.537 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.3 | -32.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D1061 | D1061-A1063 VanDerWaalsContact C-N 3.26Å; D1061-A1063 PolarHBondContact O-N 2.8Å |
| 1064 | R | 68.1 | Low | 78.6 | Confident | 207 Ų | 207 | 63.3 Ų | 63.3 | 78% | 0.781 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -107.3 | -23.3 | 177.4 | -69.3 | 174.8 | 51.6 | -127.2 | 5 | 115.3 | D1061 C1062 | D1061-R1064 PolarHBondContact O-N 2.94Å; D1061-R1064 WeakPolarHBondContact OD1-CB 3.46Å; D1061-R1064 PolarHBondContact OD1-N 3.45Å; D1061-R1064 VanDerWaalsContact OD2-CD 3.31Å; D1061-R1064 WeakPolarHBondContact OD2-CD 3.5Å; D1061-R1064 IonicContact OD2-CZ 3.49Å; D1061-R1064 IonicContact OD2-NE 3.35Å; D1061-R1064 IonicContact OD2-NH1 2.61Å; D1061-R1064 PolarHBondContact OD2-NH1 3.41Å; C1062-R1064 VanDerWaalsContact C-N 3.3Å; C1062-R1064 PolarHBondContact O-N 2.91Å |
| 1065 | L | 72.3 | Confident | 78.8 | Confident | 122 Ų | 122 | 67.2 Ų | 67.2 | 64% | 0.639 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -102.9 | -9.8 | -177.3 | -59.4 | 173.1 | 0 | 0 | 0 | 113.3 | Q1060 D1061 | Q1060-L1065 HydrophobicContact CG-CD1 3.95Å; D1061-L1065 HydrophobicContact CB-CD1 4.29Å; D1061-L1065 HydrophobicContact CB-CG 4.5Å; D1061-L1065 WeakPolarHBondContact O-CB 3.42Å; D1061-L1065 WeakPolarHBondContact O-CG 3.49Å; D1061-L1065 PolarHBondContact O-N 2.87Å |
| 1066 | G | 73.1 | Confident | 79.1 | Confident | 22 Ų | 22 | 61.3 Ų | 61.3 | 23% | 0.227 | 36% | 0.357 | C | S | . | . | trans | 81.1 | -176.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | C1062 | C1062-G1066 WeakPolarHBondContact CA-O 3.43Å; C1062-G1066 VanDerWaalsContact O-CA 3.3Å; C1062-G1066 WeakPolarHBondContact O-CA 3.45Å; C1062-G1066 PolarHBondContact O-N 2.92Å; C1062-G1066 PolarHBondContact SG-O 2.95Å; C1062-G1066 VanDerWaalsContact SG-O 3.36Å | ||
| 1067 | P | 82.8 | Confident | 79.1 | Confident | 69 Ų | 69 | 64.8 Ų | 64.8 | 45% | 0.448 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 147.2 | -176.6 | 26 | -33.8 | 0 | 0 | 0 | 112.3 | Y1039 F1088 | Y1039-P1067 HydrophobicContact CE1-CB 3.92Å; Y1039-P1067 WeakPolarHBondContact OH-CA 3.44Å; P1067-F1088 HydrophobicContact CB-CE1 4.34Å; P1067-F1088 HydrophobicContact CB-CE2 4.45Å; P1067-F1088 HydrophobicContact CB-CZ 3.79Å |
| 1068 | P | 84.3 | Confident | 79 | Confident | 9 Ų | 9 | 66.5 Ų | 66.5 | 6% | 0.058 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 167.8 | 169.3 | -19.5 | 32.7 | 0 | 0 | 0 | 112.4 | I1057 Q1072 V1074 F1088 | I1057-P1068 HydrophobicContact CD1-CG 4Å; P1068-Q1072 HydrophobicContact CB-CB 4.27Å; P1068-Q1072 HydrophobicContact CB-CG 4.47Å; P1068-V1074 HydrophobicContact CB-CG1 4.08Å; P1068-V1074 HydrophobicContact CG-CG1 3.78Å; P1068-F1088 HydrophobicContact CB-CB 3.91Å; P1068-F1088 HydrophobicContact CB-CD1 3.95Å; P1068-F1088 HydrophobicContact CB-CD2 4.45Å; P1068-F1088 HydrophobicContact CB-CG 3.85Å; P1068-F1088 HydrophobicContact CG-CB 4.16Å; P1068-F1088 HydrophobicContact CG-CD1 4.43Å; P1068-F1088 HydrophobicContact CG-CD2 4.09Å; P1068-F1088 HydrophobicContact CG-CG 3.97Å; P1068-F1088 VanDerWaalsContact O-CD1 3.26Å; P1068-F1088 WeakPolarHBondContact O-CD1 3.48Å; P1068-F1088 WeakPolarHBondContact O-CE1 3.41Å |
| 1069 | S | 80.9 | Confident | 78.5 | Confident | 84 Ų | 84 | 68.5 Ų | 68.5 | 59% | 0.587 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -73.6 | 144.2 | 170 | -64.3 | 0 | 0 | 0 | 0 | 111.3 | G1071 Q1072 | S1069-G1071 PolarHBondContact O-N 2.83Å; S1069-Q1072 WeakPolarHBondContact O-CB 3.42Å; S1069-Q1072 PolarHBondContact O-N 3.5Å |
| 1070 | A | 81 | Confident | 77.8 | Confident | 80 Ų | 80 | 68.5 Ų | 68.5 | 66% | 0.661 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 130.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q1072 V1089 | A1070-Q1072 VanDerWaalsContact C-N 3.33Å; A1070-V1089 WeakPolarHBondContact CB-O 3.42Å |
| 1071 | G | 75.3 | Confident | 77.5 | Confident | 54 Ų | 54 | 69 Ų | 69 | 56% | 0.557 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | -6.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1069 F1088 | S1069-G1071 PolarHBondContact O-N 2.83Å; G1071-F1088 PolarHBondContact N-O 3.44Å |
| 1072 | Q | 82.3 | Confident | 77.5 | Confident | 55 Ų | 55 | 70.5 Ų | 70.5 | 26% | 0.257 | 41% | 0.414 | S | S | . | . | trans | -68.2 | 134.8 | 179.3 | -174.5 | -177.6 | -31.7 | 0 | 0 | 111.1 | P1068 S1069 A1070 K1087 F1088 | P1068-Q1072 HydrophobicContact CB-CB 4.27Å; P1068-Q1072 HydrophobicContact CB-CG 4.47Å; S1069-Q1072 WeakPolarHBondContact O-CB 3.42Å; S1069-Q1072 PolarHBondContact O-N 3.5Å; A1070-Q1072 VanDerWaalsContact C-N 3.33Å; Q1072-K1087 WeakPolarHBondContact O-CA 3.4Å; Q1072-F1088 PolarHBondContact O-N 3.43Å | ||
| 1073 | P | 85.3 | Confident | 78 | Confident | 94 Ų | 94 | 74.1 Ų | 74.1 | 61% | 0.61 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 131.5 | 174.1 | 28.8 | -33.9 | 0 | 0 | 0 | 111.2 | N1059 A1086 | N1059-P1073 PolarHBondContact ND2-O 3.14Å; P1073-A1086 CarbonylContact C-O 3.54Å; P1073-A1086 WeakPolarHBondContact CA-O 3.5Å |
| 1074 | V | 87.5 | Confident | 78.8 | Confident | 3 Ų | 3 | 72.5 Ų | 72.5 | 2% | 0.018 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 153.8 | -179.4 | -65.2 | 0 | 0 | 0 | 0 | 110.4 | V1041 I1057 N1059 P1068 V1076 A1086 F1088 | V1041-V1074 HydrophobicContact CG1-CG2 4.33Å; I1057-V1074 HydrophobicContact CD1-CB 4.27Å; I1057-V1074 HydrophobicContact CD1-CG1 4.13Å; I1057-V1074 HydrophobicContact CD1-CG2 4.49Å; I1057-V1074 HydrophobicContact CG2-CB 4.26Å; I1057-V1074 HydrophobicContact CG2-CG1 4.4Å; N1059-V1074 VanDerWaalsContact OD1-CA 3.31Å; N1059-V1074 WeakPolarHBondContact OD1-CA 3.45Å; P1068-V1074 HydrophobicContact CB-CG1 4.08Å; P1068-V1074 HydrophobicContact CG-CG1 3.78Å; V1074-V1076 HydrophobicContact CG2-CG2 4.11Å; V1074-A1086 HydrophobicContact CG2-CB 4.05Å; V1074-A1086 PolarHBondContact N-O 3.47Å; V1074-A1086 PolarHBondContact O-N 3.1Å; V1074-F1088 HydrophobicContact CG1-CB 4.11Å; V1074-F1088 HydrophobicContact CG2-CB 4.46Å |
| 1075 | Q | 86.6 | Confident | 79.6 | Confident | 99 Ų | 99 | 64.1 Ų | 64.1 | 46% | 0.463 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 111.6 | 172.2 | -63.6 | -169.4 | -33.3 | 0 | 0 | 108.8 | E1058 N1059 L1083 Y1084 | E1058-Q1075 PolarHBondContact N-O 3.49Å; N1059-Q1075 HydrophobicContact CB-CB 4.07Å; N1059-Q1075 HydrophobicContact CB-CG 4.17Å; N1059-Q1075 PolarHBondContact OD1-N 3.45Å; Q1075-L1083 HydrophobicContact CB-CD2 3.91Å; Q1075-Y1084 WeakPolarHBondContact CA-O 3.42Å |
| 1076 | V | 86.3 | Confident | 80.4 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 124.6 | -176.6 | 179.4 | 0 | 0 | 0 | 0 | 109.1 | F1043 L1052 D1056 V1074 W1078 L1083 Y1084 A1086 | F1043-V1076 HydrophobicContact CE1-CB 4.1Å; F1043-V1076 HydrophobicContact CE1-CG1 4.37Å; F1043-V1076 HydrophobicContact CE1-CG2 4.38Å; F1043-V1076 HydrophobicContact CZ-CG1 4.37Å; L1052-V1076 HydrophobicContact CD1-CG1 3.72Å; L1052-V1076 HydrophobicContact CD1-CG2 4.05Å; L1052-V1076 HydrophobicContact CD2-CG1 3.58Å; L1052-V1076 HydrophobicContact CG-CG1 4.32Å; D1056-V1076 HydrophobicContact CB-CG1 4.43Å; D1056-V1076 CarbonylContact O-C 3.55Å; D1056-V1076 WeakPolarHBondContact O-CA 3.27Å; V1074-V1076 HydrophobicContact CG2-CG2 4.11Å; V1076-W1078 HydrophobicContact CG1-CE3 4.23Å; V1076-L1083 WeakPolarHBondContact O-CA 3.31Å; V1076-Y1084 PolarHBondContact N-O 3.34Å; V1076-Y1084 PolarHBondContact O-N 2.85Å; V1076-A1086 HydrophobicContact CG2-CB 4.17Å |
| 1077 | R | 82.9 | Confident | 81.1 | Confident | 120 Ų | 120 | 62.2 Ų | 62.2 | 45% | 0.453 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 115.9 | 165.9 | -178.9 | -177.7 | -69.4 | 167.4 | -1.7 | 108.1 | D1056 E1058 L1082 L1083 | D1056-R1077 PolarHBondContact O-N 3Å; E1058-R1077 VanDerWaalsContact CD-CZ 3.48Å; E1058-R1077 HydrophobicContact CG-CB 4.14Å; E1058-R1077 IonicContact OE1-CZ 3.78Å; E1058-R1077 IonicContact OE1-NE 3.13Å; E1058-R1077 PolarHBondContact OE1-NE 3.34Å; E1058-R1077 IonicContact OE1-NH2 3.38Å; E1058-R1077 PolarHBondContact OE1-NH2 3.3Å; E1058-R1077 IonicContact OE2-CZ 3.79Å; E1058-R1077 IonicContact OE2-NH2 2.72Å; E1058-R1077 PolarHBondContact OE2-NH2 2.98Å; R1077-L1082 WeakPolarHBondContact CA-O 3.34Å; R1077-L1083 HydrophobicContact CB-CD2 4.33Å |
| 1078 | W | 80.2 | Confident | 81.4 | Confident | 45 Ų | 45 | 59.2 Ų | 59.2 | 17% | 0.17 | 35% | 0.352 | C | S | . | . | trans | -90.9 | 174.3 | 179.6 | -160.5 | -110.7 | 0 | 0 | 0 | 112.1 | F511 F1043 L1052 V1076 D1080 G1081 L1082 Y1084 | F511-W1078 HydrophobicContact CD1-CZ2 4.44Å; F511-W1078 AromaticContact CE1-CH2 3.99Å; F511-W1078 HydrophobicContact CE1-CH2 3.99Å; F511-W1078 AromaticContact CE1-CZ2 3.89Å; F511-W1078 HydrophobicContact CE1-CZ2 3.89Å; F1043-W1078 HydrophobicContact CE2-CH2 4.47Å; F1043-W1078 HydrophobicContact CE2-CZ3 4.06Å; F1043-W1078 AromaticContact CZ-CE3 3.79Å; F1043-W1078 HydrophobicContact CZ-CE3 3.79Å; F1043-W1078 HydrophobicContact CZ-CH2 4.42Å; F1043-W1078 AromaticContact CZ-CZ3 3.62Å; F1043-W1078 HydrophobicContact CZ-CZ3 3.62Å; L1052-W1078 HydrophobicContact CD1-CZ3 4.41Å; L1052-W1078 HydrophobicContact CD2-CE3 3.96Å; L1052-W1078 HydrophobicContact CD2-CZ3 3.7Å; L1052-W1078 HydrophobicContact CG-CZ3 4.16Å; V1076-W1078 HydrophobicContact CG1-CE3 4.23Å; W1078-D1080 PolarHBondContact O-N 3.18Å; W1078-G1081 PolarHBondContact O-N 3.21Å; W1078-L1082 PolarHBondContact N-O 2.99Å; W1078-Y1084 HydrophobicContact CB-CD2 3.71Å; W1078-Y1084 HydrophobicContact CB-CE2 3.78Å | ||
| 1079 | T | 69.9 | Low | 81.5 | Confident | 126 Ų | 126 | 61.5 Ų | 61.5 | 77% | 0.773 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -8.6 | -174.6 | 56.2 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1080 | D | 68 | Low | 81.5 | Confident | 71 Ų | 71 | 59 Ų | 59 | 38% | 0.38 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -4.6 | 171.7 | 64.5 | -7.8 | 0 | 0 | 0 | 113.6 | L510 W1078 L1082 Y1084 | L510-D1080 WeakPolarHBondContact CD1-OD2 3.49Å; W1078-D1080 PolarHBondContact O-N 3.18Å; D1080-L1082 PolarHBondContact OD1-N 3.25Å; D1080-Y1084 PolarHBondContact OD2-OH 2.79Å |
| 1081 | G | 67.9 | Low | 81.7 | Confident | 52 Ų | 52 | 57.6 Ų | 57.6 | 54% | 0.536 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 82.8 | 10.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | W1078 | W1078-G1081 PolarHBondContact O-N 3.21Š|
| 1082 | L | 73.5 | Confident | 81.8 | Confident | 98 Ų | 98 | 58.9 Ų | 58.9 | 51% | 0.513 | 33% | 0.326 | S | S | . | . | trans | -98.3 | 153.9 | 177 | -61.7 | -179 | 0 | 0 | 0 | 112.1 | R1077 W1078 D1080 Y1084 | R1077-L1082 WeakPolarHBondContact CA-O 3.34Å; W1078-L1082 PolarHBondContact N-O 2.99Å; D1080-L1082 PolarHBondContact OD1-N 3.25Å; L1082-Y1084 HydrophobicContact CB-CE2 3.65Å; L1082-Y1084 WeakPolarHBondContact O-CD2 3.43Å | ||
| 1083 | L | 83.4 | Confident | 81.6 | Confident | 81 Ų | 81 | 59.9 Ų | 59.9 | 42% | 0.424 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 128.9 | 178.3 | -86.2 | 169.1 | 0 | 0 | 0 | 111.9 | E1058 Q1075 V1076 R1077 | E1058-L1083 HydrophobicContact CB-CD2 3.89Å; E1058-L1083 HydrophobicContact CG-CD2 3.79Å; E1058-L1083 VanDerWaalsContact OE1-CD2 3.32Å; E1058-L1083 WeakPolarHBondContact OE1-CD2 3.12Å; E1058-L1083 WeakPolarHBondContact OE1-CG 3.22Å; Q1075-L1083 HydrophobicContact CB-CD2 3.91Å; V1076-L1083 WeakPolarHBondContact O-CA 3.31Å; R1077-L1083 HydrophobicContact CB-CD2 4.33Å |
| 1084 | Y | 83.9 | Confident | 81.3 | Confident | 31 Ų | 31 | 57.3 Ų | 57.3 | 12% | 0.122 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 138.6 | -178.8 | -68 | -84 | 0 | 0 | 0 | 111.8 | A507 L510 Q1075 V1076 W1078 D1080 L1082 | A507-Y1084 HydrophobicContact CB-CD1 3.7Å; A507-Y1084 HydrophobicContact CB-CE1 3.76Å; L510-Y1084 WeakPolarHBondContact CD1-OH 3.49Å; Q1075-Y1084 WeakPolarHBondContact CA-O 3.42Å; V1076-Y1084 PolarHBondContact N-O 3.34Å; V1076-Y1084 PolarHBondContact O-N 2.85Å; W1078-Y1084 HydrophobicContact CB-CD2 3.71Å; W1078-Y1084 HydrophobicContact CB-CE2 3.78Å; D1080-Y1084 PolarHBondContact OD2-OH 2.79Å; L1082-Y1084 HydrophobicContact CB-CE2 3.65Å; L1082-Y1084 WeakPolarHBondContact O-CD2 3.43Å |
| 1085 | G | 84.9 | Confident | 80.9 | Confident | 31 Ų | 31 | 60 Ų | 60 | 32% | 0.32 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 127.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | D1044 | D1044-G1085 PolarHBondContact N-O 3.41Å; D1044-G1085 WeakPolarHBondContact OD2-CA 3.26Å |
| 1086 | A | 88.1 | Confident | 80.6 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.008 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 172.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V1041 V1042 F1043 P1073 V1074 V1076 | V1041-A1086 HydrophobicContact CB-CB 4.04Å; V1041-A1086 HydrophobicContact CG2-CB 4Å; V1042-A1086 CarbonylContact O-C 3.5Å; V1042-A1086 VanDerWaalsContact O-CA 3.32Å; V1042-A1086 WeakPolarHBondContact O-CA 3.47Å; V1042-A1086 WeakPolarHBondContact O-CB 3.36Å; F1043-A1086 HydrophobicContact CB-CB 4.49Å; F1043-A1086 HydrophobicContact CD1-CB 3.68Å; F1043-A1086 HydrophobicContact CE1-CB 4.03Å; F1043-A1086 HydrophobicContact CG-CB 4.11Å; P1073-A1086 CarbonylContact C-O 3.54Å; P1073-A1086 WeakPolarHBondContact CA-O 3.5Å; V1074-A1086 HydrophobicContact CG2-CB 4.05Å; V1074-A1086 PolarHBondContact N-O 3.47Å; V1074-A1086 PolarHBondContact O-N 3.1Å; V1076-A1086 HydrophobicContact CG2-CB 4.17Å |
| 1087 | K | 88.6 | Confident | 80.6 | Confident | 103 Ų | 103 | 56 Ų | 56 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 126 | 172.8 | -67.6 | 161 | -167.4 | 154 | 0 | 108.1 | V1041 V1042 D1044 Q1072 | V1041-K1087 CarbonylContact C-O 3.47Å; V1041-K1087 VanDerWaalsContact CA-O 3.27Å; V1041-K1087 WeakPolarHBondContact CA-O 3.45Å; V1042-K1087 PolarHBondContact N-O 2.87Å; V1042-K1087 PolarHBondContact O-N 3.35Å; D1044-K1087 IonicContact OD1-NZ 2.74Å; Q1072-K1087 WeakPolarHBondContact O-CA 3.4Å |
| 1088 | F | 88.2 | Confident | 80.7 | Confident | 7 Ų | 7 | 51.9 Ų | 51.9 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 140.8 | 175 | 177.8 | -97 | 0 | 0 | 0 | 110.5 | Y1039 P1067 P1068 G1071 Q1072 V1074 A1090 | Y1039-F1088 AromaticContact CD1-CE2 3.75Å; Y1039-F1088 HydrophobicContact CD1-CE2 3.75Å; Y1039-F1088 HydrophobicContact CD1-CZ 4.41Å; Y1039-F1088 HydrophobicContact CD2-CE2 4.18Å; Y1039-F1088 HydrophobicContact CE1-CE2 4.31Å; Y1039-F1088 HydrophobicContact CG-CD2 4.32Å; Y1039-F1088 AromaticContact CG-CE2 3.69Å; Y1039-F1088 HydrophobicContact CG-CE2 3.69Å; P1067-F1088 HydrophobicContact CB-CE1 4.34Å; P1067-F1088 HydrophobicContact CB-CE2 4.45Å; P1067-F1088 HydrophobicContact CB-CZ 3.79Å; P1068-F1088 HydrophobicContact CB-CB 3.91Å; P1068-F1088 HydrophobicContact CB-CD1 3.95Å; P1068-F1088 HydrophobicContact CB-CD2 4.45Å; P1068-F1088 HydrophobicContact CB-CG 3.85Å; P1068-F1088 HydrophobicContact CG-CB 4.16Å; P1068-F1088 HydrophobicContact CG-CD1 4.43Å; P1068-F1088 HydrophobicContact CG-CD2 4.09Å; P1068-F1088 HydrophobicContact CG-CG 3.97Å; P1068-F1088 VanDerWaalsContact O-CD1 3.26Å; P1068-F1088 WeakPolarHBondContact O-CD1 3.48Å; P1068-F1088 WeakPolarHBondContact O-CE1 3.41Å; G1071-F1088 PolarHBondContact N-O 3.44Å; Q1072-F1088 PolarHBondContact O-N 3.43Å; V1074-F1088 HydrophobicContact CG1-CB 4.11Å; V1074-F1088 HydrophobicContact CG2-CB 4.46Å; F1088-A1090 WeakPolarHBondContact CE2-O 3.45Å; F1088-A1090 VanDerWaalsContact CZ-O 3.26Å; F1088-A1090 WeakPolarHBondContact CZ-O 3.47Å |
| 1089 | V | 86 | Confident | 81.2 | Confident | 57 Ų | 57 | 49.8 Ų | 49.8 | 35% | 0.345 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | -56.3 | -178.8 | -175.3 | 0 | 0 | 0 | 0 | 110.5 | E1040 V1042 A1070 | E1040-V1089 HydrophobicContact CB-CB 4.24Å; E1040-V1089 HydrophobicContact CG-CB 3.97Å; E1040-V1089 HydrophobicContact CG-CG1 4.41Å; E1040-V1089 PolarHBondContact O-N 2.88Å; V1042-V1089 HydrophobicContact CG2-CG2 3.98Å; A1070-V1089 WeakPolarHBondContact CB-O 3.42Å |
| 1090 | A | 82.7 | Confident | 82 | Confident | 30 Ų | 30 | 47.1 Ų | 47.1 | 25% | 0.248 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 166.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1040 F1088 | E1040-A1090 HydrophobicContact CB-CB 4.2Å; E1040-A1090 WeakPolarHBondContact CB-O 3.14Å; E1040-A1090 PolarHBondContact N-O 3.35Å; F1088-A1090 WeakPolarHBondContact CE2-O 3.45Å; F1088-A1090 VanDerWaalsContact CZ-O 3.26Å; F1088-A1090 WeakPolarHBondContact CZ-O 3.47Å |
| 1091 | S | 83.3 | Confident | 82.9 | Confident | 51 Ų | 51 | 44 Ų | 44 | 36% | 0.357 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125.5 | 172.7 | 57.3 | 0 | 0 | 0 | 0 | 111.1 | F1038 | F1038-S1091 CarbonylContact O-C 3.55Å; F1038-S1091 WeakPolarHBondContact O-CA 3.34Å |
| 1092 | H | 77.7 | Confident | 83.3 | Confident | 82 Ų | 82 | 48.3 Ų | 48.3 | 38% | 0.38 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 108.3 | -177.6 | -59.6 | -67.8 | 0 | 0 | 0 | 110.5 | F1038 E1040 V1094 | F1038-H1092 PolarHBondContact N-O 3.26Å; F1038-H1092 PolarHBondContact O-N 3.18Å; E1040-H1092 IonicContact OE2-CD2 2.73Å; E1040-H1092 IonicContact OE2-CE1 2.78Å; E1040-H1092 IonicContact OE2-NE2 3.7Å; E1040-H1092 PolarHBondContact OE2-NE2 3.4Å; H1092-V1094 HydrophobicContact CB-CG2 4.47Å; H1092-V1094 PolarHBondContact O-N 3.28Å |
| 1093 | S | 78.3 | Confident | 83.3 | Confident | 76 Ų | 76 | 47.7 Ų | 47.7 | 53% | 0.531 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 113.5 | 171.9 | -63.2 | 0 | 0 | 0 | 0 | 110.6 | T1037 | T1037-S1093 PolarHBondContact OG1-OG 2.87Å |
| 1094 | V | 78.9 | Confident | 82.9 | Confident | 40 Ų | 40 | 46.2 Ų | 46.2 | 24% | 0.242 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 130.1 | -174.2 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | A1036 F1038 H1092 M1096 K1110 | A1036-V1094 PolarHBondContact N-O 3.13Å; A1036-V1094 PolarHBondContact O-N 2.9Å; F1038-V1094 HydrophobicContact CD2-CB 4.1Å; F1038-V1094 HydrophobicContact CD2-CG2 3.91Å; F1038-V1094 HydrophobicContact CE2-CB 4.08Å; F1038-V1094 HydrophobicContact CE2-CG2 4.34Å; H1092-V1094 HydrophobicContact CB-CG2 4.47Å; H1092-V1094 PolarHBondContact O-N 3.28Å; V1094-M1096 PolarHBondContact O-N 3.17Å; V1094-K1110 HydrophobicContact CG1-CG 4.37Å |
| 1095 | P | 78.9 | Confident | 82.8 | Confident | 59 Ų | 59 | 45.9 Ų | 45.9 | 38% | 0.383 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 123.9 | 174.6 | 28.6 | -33.6 | 0 | 0 | 0 | 110.9 | Y1097 | P1095-Y1097 HydrophobicContact CB-CE2 3.99Å; P1095-Y1097 HydrophobicContact CG-CE2 4.35Å; P1095-Y1097 WeakPolarHBondContact O-CE2 3.38Å |
| 1096 | M | 81.2 | Confident | 82.8 | Confident | 12 Ų | 12 | 48.7 Ų | 48.7 | 6% | 0.059 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 134.9 | -179.4 | -67.1 | -65.1 | -73.7 | 0 | 0 | 109.4 | L521 T1034 A1036 V1094 T1108 K1110 | L521-M1096 HydrophobicContact CD1-CE 3.97Å; T1034-M1096 PolarHBondContact N-O 3.43Å; T1034-M1096 WeakPolarHBondContact O-CA 3.35Å; T1034-M1096 WeakPolarHBondContact O-CB 3.32Å; T1034-M1096 PolarHBondContact O-N 3.08Å; T1034-M1096 PolarHBondContact OG1-O 3.4Å; A1036-M1096 HydrophobicContact CB-CG 3.6Å; V1094-M1096 PolarHBondContact O-N 3.17Å; M1096-T1108 HydrophobicContact CB-CG2 3.9Å; M1096-T1108 HydrophobicContact CE-CG2 4.12Å; M1096-K1110 HydrophobicContact CE-CG 4.36Å; M1096-K1110 HydrophobicContact SD-CB 4.42Å; M1096-K1110 HydrophobicContact SD-CG 3.51Å; M1096-K1110 VanDerWaalsContact SD-CG 3.51Å |
| 1097 | Y | 86.2 | Confident | 82.6 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 115.6 | -171.2 | -64.6 | -103.3 | 0 | 0 | 0 | 108 | L1010 V1030 L1033 P1095 T1108 V1109 R1111 I1114 | L1010-Y1097 HydrophobicContact CB-CD1 4.19Å; L1010-Y1097 HydrophobicContact CB-CE1 3.75Å; L1010-Y1097 HydrophobicContact CD1-CD1 4.41Å; L1010-Y1097 HydrophobicContact CD1-CE1 4.3Å; L1010-Y1097 HydrophobicContact CG-CE1 4.21Å; L1010-Y1097 WeakPolarHBondContact O-CE1 3.2Å; V1030-Y1097 HydrophobicContact CG1-CD1 4.23Å; L1033-Y1097 HydrophobicContact CD1-CD1 4.38Å; L1033-Y1097 HydrophobicContact CD2-CD1 4.17Å; L1033-Y1097 HydrophobicContact CD2-CE1 3.67Å; L1033-Y1097 HydrophobicContact CG-CD1 3.93Å; L1033-Y1097 HydrophobicContact CG-CE1 3.97Å; P1095-Y1097 HydrophobicContact CB-CE2 3.99Å; P1095-Y1097 HydrophobicContact CG-CE2 4.35Å; P1095-Y1097 WeakPolarHBondContact O-CE2 3.38Å; Y1097-T1108 CarbonylContact O-C 3.54Å; Y1097-T1108 WeakPolarHBondContact O-CA 3.37Å; Y1097-V1109 PolarHBondContact N-O 3.15Å; Y1097-V1109 PolarHBondContact O-N 3.12Å; Y1097-R1111 HydrophobicContact CD2-CB 4.28Å; Y1097-R1111 HydrophobicContact CE2-CB 3.66Å; Y1097-R1111 HydrophobicContact CE2-CG 4.41Å; Y1097-I1114 HydrophobicContact CD1-CD1 4.29Å; Y1097-I1114 HydrophobicContact CD2-CD1 4.42Å; Y1097-I1114 HydrophobicContact CG-CD1 3.8Å |
| 1098 | M | 85.4 | Confident | 82.4 | Confident | 35 Ų | 35 | 46.8 Ų | 46.8 | 17% | 0.172 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 117.4 | 172.2 | -175 | 150.6 | 58.1 | 0 | 0 | 108.9 | V1031 E1032 Q1106 T1108 | V1031-M1098 PolarHBondContact N-O 3.36Å; E1032-M1098 HydrophobicContact CB-CB 4.1Å; E1032-M1098 HydrophobicContact CB-CE 3.79Å; E1032-M1098 PolarHBondContact N-O 3.42Å; E1032-M1098 PolarHBondContact O-N 3.4Å; E1032-M1098 WeakPolarHBondContact OE2-CE 3.48Å; M1098-Q1106 HydrophobicContact CG-CB 4.48Å; M1098-Q1106 HydrophobicContact SD-CB 4.5Å; M1098-T1108 HydrophobicContact CB-CG2 4.42Å |
| 1099 | V | 89.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 140.7 | 177.2 | -59 | 0 | 0 | 0 | 0 | 111.1 | V1016 C1018 E1029 V1030 F1101 Q1106 L1107 V1109 I1114 | V1016-V1099 HydrophobicContact CG2-CG1 3.88Å; C1018-V1099 HydrophobicContact CB-CG2 3.93Å; E1029-V1099 CarbonylContact O-C 3.46Å; E1029-V1099 VanDerWaalsContact O-CA 3.25Å; E1029-V1099 WeakPolarHBondContact O-CA 3.31Å; V1030-V1099 HydrophobicContact CG2-CG1 4.11Å; V1099-F1101 HydrophobicContact CG2-CE2 4.26Å; V1099-F1101 HydrophobicContact CG2-CZ 4.24Å; V1099-Q1106 WeakPolarHBondContact O-CA 3.42Å; V1099-L1107 HydrophobicContact CG2-CB 4.42Å; V1099-L1107 WeakPolarHBondContact CG2-O 3.41Å; V1099-L1107 PolarHBondContact N-O 3.13Å; V1099-L1107 PolarHBondContact O-N 3.13Å; V1099-V1109 HydrophobicContact CG2-CG2 4.47Å; V1099-I1114 HydrophobicContact CG1-CD1 3.96Å |
| 1100 | E | 87.4 | Confident | 82.1 | Confident | 70 Ų | 70 | 45.8 Ų | 45.8 | 33% | 0.327 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 132.7 | 175 | -175.3 | 164 | -111.1 | 0 | 0 | 110.3 | S1028 E1029 V1031 S1105 Q1106 | S1028-E1100 CarbonylContact C-O 3.45Å; S1028-E1100 WeakPolarHBondContact CA-O 3.46Å; S1028-E1100 WeakPolarHBondContact CB-O 3.45Å; E1029-E1100 PolarHBondContact N-O 3.02Å; E1029-E1100 PolarHBondContact O-N 3.47Å; V1031-E1100 HydrophobicContact CG2-CB 3.48Å; V1031-E1100 VanDerWaalsContact CG2-CB 3.48Å; E1100-S1105 WeakPolarHBondContact CA-O 3.43Å; E1100-Q1106 HydrophobicContact CB-CG 4.08Å; E1100-Q1106 HydrophobicContact CG-CG 4.01Å; E1100-Q1106 PolarHBondContact OE1-NE2 3.24Å |
| 1101 | F | 86.3 | Confident | 82 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 162.4 | 176.8 | -61.9 | -84.5 | 0 | 0 | 0 | 110.8 | C1018 H1020 V1099 D1103 G1104 S1105 L1107 | C1018-F1101 HydrophobicContact CB-CE1 4.01Å; C1018-F1101 HydrophobicContact CB-CZ 3.87Å; H1020-F1101 HydrophobicContact CB-CD1 4.38Å; H1020-F1101 HydrophobicContact CB-CE1 3.98Å; H1020-F1101 HydrophobicContact CB-CE2 4.4Å; H1020-F1101 HydrophobicContact CB-CZ 4Å; H1020-F1101 AromaticContact CD2-CD2 3.84Å; H1020-F1101 AromaticContact CD2-CE2 3.88Å; V1099-F1101 HydrophobicContact CG2-CE2 4.26Å; V1099-F1101 HydrophobicContact CG2-CZ 4.24Å; F1101-D1103 WeakPolarHBondContact CB-OD1 3.25Å; F1101-D1103 PolarHBondContact O-N 2.8Å; F1101-G1104 PolarHBondContact O-N 3.35Å; F1101-S1105 WeakPolarHBondContact CD2-O 3.44Å; F1101-S1105 WeakPolarHBondContact CD2-OG 3.43Å; F1101-S1105 PolarHBondContact N-O 3.44Å; F1101-L1107 HydrophobicContact CE2-CB 3.96Å; F1101-L1107 HydrophobicContact CE2-CD2 4.29Å; F1101-L1107 HydrophobicContact CZ-CD2 4.43Å |
| 1102 | E | 77.8 | Confident | 81.6 | Confident | 143 Ų | 143 | 47.4 Ų | 47.4 | 67% | 0.668 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -7.5 | -177.8 | -64.3 | -175.9 | -176.3 | 0 | 0 | 115.1 | A1132 | E1102-A1132 WeakPolarHBondContact OE2-CB 3.2Š|
| 1103 | D | 72.9 | Confident | 81.7 | Confident | 85 Ų | 85 | 44.5 Ų | 44.5 | 46% | 0.455 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 2.8 | 172.7 | 66.6 | -6.5 | 0 | 0 | 0 | 114.1 | F1101 S1105 M1135 | F1101-D1103 WeakPolarHBondContact CB-OD1 3.25Å; F1101-D1103 PolarHBondContact O-N 2.8Å; D1103-S1105 VanDerWaalsContact C-N 3.27Å; D1103-S1105 WeakPolarHBondContact OD1-CB 3.45Å; D1103-S1105 PolarHBondContact OD1-N 3.49Å; D1103-S1105 PolarHBondContact OD1-OG 3.02Å; D1103-M1135 HydrophobicContact CB-CE 3.78Å; D1103-M1135 WeakPolarHBondContact OD2-CE 3.27Å |
| 1104 | G | 75.3 | Confident | 82 | Confident | 49 Ų | 49 | 40.9 Ų | 40.9 | 51% | 0.505 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 76.2 | 10.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | F1101 | F1101-G1104 PolarHBondContact O-N 3.35Š|
| 1105 | S | 81.1 | Confident | 82.2 | Confident | 24 Ų | 24 | 40.3 Ų | 40.3 | 17% | 0.168 | 22% | 0.215 | C | C | . | . | trans | -80.2 | 136 | 170.7 | 71.6 | 0 | 0 | 0 | 0 | 110.8 | H1020 E1100 F1101 D1103 | H1020-S1105 PolarHBondContact NE2-OG 2.75Å; E1100-S1105 WeakPolarHBondContact CA-O 3.43Å; F1101-S1105 WeakPolarHBondContact CD2-O 3.44Å; F1101-S1105 WeakPolarHBondContact CD2-OG 3.43Å; F1101-S1105 PolarHBondContact N-O 3.44Å; D1103-S1105 VanDerWaalsContact C-N 3.27Å; D1103-S1105 WeakPolarHBondContact OD1-CB 3.45Å; D1103-S1105 PolarHBondContact OD1-N 3.49Å; D1103-S1105 PolarHBondContact OD1-OG 3.02Å | ||
| 1106 | Q | 85.6 | Confident | 82.3 | Confident | 90 Ų | 90 | 38.2 Ų | 38.2 | 42% | 0.421 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 148.4 | 178.4 | -63.8 | 178.5 | -1.7 | 0 | 0 | 111.4 | M1098 V1099 E1100 | M1098-Q1106 HydrophobicContact CG-CB 4.48Å; M1098-Q1106 HydrophobicContact SD-CB 4.5Å; V1099-Q1106 WeakPolarHBondContact O-CA 3.42Å; E1100-Q1106 HydrophobicContact CB-CG 4.08Å; E1100-Q1106 HydrophobicContact CG-CG 4.01Å; E1100-Q1106 PolarHBondContact OE1-NE2 3.24Å |
| 1107 | L | 84.3 | Confident | 82 | Confident | 29 Ų | 29 | 40.2 Ų | 40.2 | 15% | 0.152 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 126.4 | 179.2 | -177.8 | 69 | 0 | 0 | 0 | 110.8 | K1019 V1099 F1101 V1109 | K1019-L1107 WeakPolarHBondContact O-CD2 3.45Å; V1099-L1107 HydrophobicContact CG2-CB 4.42Å; V1099-L1107 WeakPolarHBondContact CG2-O 3.41Å; V1099-L1107 PolarHBondContact N-O 3.13Å; V1099-L1107 PolarHBondContact O-N 3.13Å; F1101-L1107 HydrophobicContact CE2-CB 3.96Å; F1101-L1107 HydrophobicContact CE2-CD2 4.29Å; F1101-L1107 HydrophobicContact CZ-CD2 4.43Å; L1107-V1109 HydrophobicContact CD2-CG1 4.1Å; L1107-V1109 HydrophobicContact CG-CG1 4.19Å |
| 1108 | T | 83.6 | Confident | 81.2 | Confident | 35 Ų | 35 | 47.5 Ų | 47.5 | 22% | 0.215 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 141.3 | 171.3 | -31.4 | 0 | 0 | 0 | 0 | 110.9 | L521 M1096 Y1097 M1098 | L521-T1108 WeakPolarHBondContact CD1-O 3.44Å; M1096-T1108 HydrophobicContact CB-CG2 3.9Å; M1096-T1108 HydrophobicContact CE-CG2 4.12Å; Y1097-T1108 CarbonylContact O-C 3.54Å; Y1097-T1108 WeakPolarHBondContact O-CA 3.37Å; M1098-T1108 HydrophobicContact CB-CG2 4.42Å |
| 1109 | V | 83.9 | Confident | 80.5 | Confident | 15 Ų | 15 | 48 Ų | 48 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 156.6 | -179.7 | -77.6 | 0 | 0 | 0 | 0 | 112.5 | Y1097 V1099 L1107 D1113 I1114 | Y1097-V1109 PolarHBondContact N-O 3.15Å; Y1097-V1109 PolarHBondContact O-N 3.12Å; V1099-V1109 HydrophobicContact CG2-CG2 4.47Å; L1107-V1109 HydrophobicContact CD2-CG1 4.1Å; L1107-V1109 HydrophobicContact CG-CG1 4.19Å; V1109-D1113 HydrophobicContact CB-CB 4.31Å; V1109-D1113 HydrophobicContact CG1-CB 4.45Å; V1109-I1114 HydrophobicContact CG2-CD1 3.64Å; V1109-I1114 HydrophobicContact CG2-CG1 3.52Å |
| 1110 | K | 83.5 | Confident | 79.3 | Confident | 29 Ų | 29 | 54.2 Ų | 54.2 | 13% | 0.126 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 151 | 169.8 | -67.1 | 178.9 | 179.9 | -178.9 | 0 | 110.3 | N1051 V1094 M1096 E1112 D1113 | N1051-K1110 PolarHBondContact OD1-NZ 3.14Å; V1094-K1110 HydrophobicContact CG1-CG 4.37Å; M1096-K1110 HydrophobicContact CE-CG 4.36Å; M1096-K1110 HydrophobicContact SD-CB 4.42Å; M1096-K1110 HydrophobicContact SD-CG 3.51Å; M1096-K1110 VanDerWaalsContact SD-CG 3.51Å; K1110-E1112 HydrophobicContact CB-CG 3.88Å; K1110-E1112 WeakPolarHBondContact CD-OE1 3.49Å; K1110-E1112 PolarHBondContact O-N 2.97Å; K1110-D1113 PolarHBondContact O-N 2.92Å |
| 1111 | R | 82.1 | Confident | 78.5 | Confident | 22 Ų | 22 | 51.6 Ų | 51.6 | 8% | 0.083 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -50.7 | -32.2 | -178.9 | 178.9 | 56 | -177.3 | 92.9 | -4.1 | 114.5 | L1007 R1008 Y1097 D1113 I1114 E1119 | L1007-R1111 HydrophobicContact CB-CG 4.37Å; L1007-R1111 HydrophobicContact CD1-CG 4.48Å; R1008-R1111 VanDerWaalsContact O-CZ 3.25Å; R1008-R1111 PolarHBondContact O-NE 2.68Å; R1008-R1111 PolarHBondContact O-NH2 3.04Å; Y1097-R1111 HydrophobicContact CD2-CB 4.28Å; Y1097-R1111 HydrophobicContact CE2-CB 3.66Å; Y1097-R1111 HydrophobicContact CE2-CG 4.41Å; R1111-D1113 VanDerWaalsContact C-N 3.29Å; R1111-D1113 PolarHBondContact O-N 3.21Å; R1111-I1114 PolarHBondContact NH1-O 2.67Å; R1111-I1114 PolarHBondContact O-N 2.9Å; R1111-E1119 IonicContact CZ-OE1 2.83Å; R1111-E1119 IonicContact NH1-OE1 2.71Å; R1111-E1119 PolarHBondContact NH1-OE1 2.85Å; R1111-E1119 IonicContact NH2-OE1 3.19Å; R1111-E1119 PolarHBondContact NH2-OE1 2.83Å |
| 1112 | E | 74.7 | Confident | 77.6 | Confident | 93 Ų | 93 | 53.3 Ų | 53.3 | 44% | 0.435 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -66 | -22.9 | 179.7 | 65.6 | -160.7 | -171.4 | 0 | 0 | 114.7 | R1002 K1110 | R1002-E1112 PolarHBondContact NH1-O 3.06Å; K1110-E1112 HydrophobicContact CB-CG 3.88Å; K1110-E1112 WeakPolarHBondContact CD-OE1 3.49Å; K1110-E1112 PolarHBondContact O-N 2.97Å |
| 1113 | D | 79.8 | Confident | 76.6 | Confident | 20 Ų | 20 | 54.6 Ų | 54.6 | 11% | 0.107 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -95.2 | -8.1 | 178.5 | -97.2 | -37.5 | 0 | 0 | 0 | 113.9 | K518 V1109 K1110 R1111 | K518-D1113 WeakPolarHBondContact CE-OD1 3.36Å; K518-D1113 WeakPolarHBondContact CE-OD2 3.31Å; K518-D1113 IonicContact NZ-OD1 2.73Å; K518-D1113 PolarHBondContact NZ-OD1 3.03Å; K518-D1113 IonicContact NZ-OD2 2.69Å; K518-D1113 PolarHBondContact NZ-OD2 3.37Å; V1109-D1113 HydrophobicContact CB-CB 4.31Å; V1109-D1113 HydrophobicContact CG1-CB 4.45Å; K1110-D1113 PolarHBondContact O-N 2.92Å; R1111-D1113 VanDerWaalsContact C-N 3.29Å; R1111-D1113 PolarHBondContact O-N 3.21Å |
| 1114 | I | 83.9 | Confident | 75.9 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -95 | 146.1 | 174.7 | -63.7 | 176 | 0 | 0 | 0 | 110 | R1002 L1010 V1016 Y1097 V1099 V1109 R1111 | R1002-I1114 VanDerWaalsContact CZ-O 3.29Å; R1002-I1114 PolarHBondContact NH1-O 3.21Å; R1002-I1114 PolarHBondContact NH2-O 2.66Å; L1010-I1114 HydrophobicContact CD1-CB 4.28Å; L1010-I1114 HydrophobicContact CD1-CD1 4.34Å; L1010-I1114 HydrophobicContact CD1-CG2 3.62Å; V1016-I1114 HydrophobicContact CB-CG2 3.53Å; V1016-I1114 HydrophobicContact CG1-CG2 3.78Å; V1016-I1114 HydrophobicContact CG2-CG2 3.8Å; Y1097-I1114 HydrophobicContact CD1-CD1 4.29Å; Y1097-I1114 HydrophobicContact CD2-CD1 4.42Å; Y1097-I1114 HydrophobicContact CG-CD1 3.8Å; V1099-I1114 HydrophobicContact CG1-CD1 3.96Å; V1109-I1114 HydrophobicContact CG2-CD1 3.64Å; V1109-I1114 HydrophobicContact CG2-CG1 3.52Å; R1111-I1114 PolarHBondContact NH1-O 2.67Å; R1111-I1114 PolarHBondContact O-N 2.9Å | ||
| 1115 | Y | 83.1 | Confident | 75.6 | Confident | 28 Ų | 28 | 56.4 Ų | 56.4 | 11% | 0.11 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -124.6 | 145.1 | 167.2 | -50 | -95.8 | 0 | 0 | 0 | 110.4 | V1016 I1017 Y1025 E1119 L1121 P1122 V1125 | V1016-Y1115 CarbonylContact C-O 3.54Å; V1016-Y1115 WeakPolarHBondContact CA-O 3.4Å; V1016-Y1115 WeakPolarHBondContact CB-O 3.42Å; I1017-Y1115 PolarHBondContact N-O 3.26Å; I1017-Y1115 PolarHBondContact O-N 2.96Å; I1017-Y1115 VanDerWaalsContact O-N 3.08Å; Y1025-Y1115 HydrophobicContact CE1-CE2 4.05Å; Y1115-E1119 WeakPolarHBondContact CA-OE2 3.27Å; Y1115-L1121 HydrophobicContact CD1-CD2 4.3Å; Y1115-L1121 HydrophobicContact CG-CD2 3.97Å; Y1115-P1122 HydrophobicContact CE1-CG 3.77Å; Y1115-V1125 HydrophobicContact CD2-CG2 4.4Å; Y1115-V1125 HydrophobicContact CE1-CG2 4.38Å; Y1115-V1125 HydrophobicContact CE2-CG2 3.83Å |
| 1116 | T | 81.7 | Confident | 75 | Confident | 16 Ų | 16 | 60.2 Ų | 60.2 | 10% | 0.098 | 29% | 0.286 | C | S | . | . | trans | -89.9 | 160.1 | 169.4 | 87.9 | 0 | 0 | 0 | 0 | 111 | L1010 E1118 E1119 | L1010-T1116 HydrophobicContact CD2-CG2 3.46Å; L1010-T1116 VanDerWaalsContact CD2-CG2 3.46Å; T1116-E1118 WeakPolarHBondContact CB-OE2 3.32Å; T1116-E1118 PolarHBondContact O-N 2.91Å; T1116-E1118 PolarHBondContact OG1-N 2.91Å; T1116-E1118 PolarHBondContact OG1-OE2 3.34Å; T1116-E1119 HydrophobicContact CG2-CG 4.39Å; T1116-E1119 PolarHBondContact N-OE2 3.39Å; T1116-E1119 VanDerWaalsContact N-OE2 3.15Å; T1116-E1119 PolarHBondContact O-N 3.42Å; T1116-E1119 PolarHBondContact OG1-N 3.24Å | ||
| 1117 | P | 74.9 | Confident | 73.6 | Confident | 54 Ų | 54 | 60.4 Ų | 60.4 | 35% | 0.351 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -21.4 | 175.9 | -22.5 | 33.8 | 0 | 0 | 0 | 114.4 | K1015 Y1027 | K1015-P1117 WeakPolarHBondContact O-CD 3.37Å; Y1027-P1117 HydrophobicContact CE1-CG 4.37Å |
| 1118 | E | 67.9 | Low | 72.6 | Confident | 155 Ų | 155 | 65.6 Ų | 65.6 | 72% | 0.724 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -14.5 | -178 | -48.1 | 70.1 | -147.8 | 0 | 0 | 113.1 | T1116 | T1116-E1118 WeakPolarHBondContact CB-OE2 3.32Å; T1116-E1118 PolarHBondContact O-N 2.91Å; T1116-E1118 PolarHBondContact OG1-N 2.91Å; T1116-E1118 PolarHBondContact OG1-OE2 3.34Å |
| 1119 | E | 71.8 | Confident | 72 | Confident | 46 Ų | 46 | 67.5 Ų | 67.5 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -78.3 | 144.5 | 173.4 | -73.3 | 174.4 | 173.3 | 0 | 0 | 111.2 | R1002 R1111 Y1115 T1116 L1121 | R1002-E1119 IonicContact CZ-OE2 2.88Å; R1002-E1119 IonicContact NH2-OE1 2.72Å; R1002-E1119 IonicContact NH2-OE2 2.7Å; R1002-E1119 PolarHBondContact NH2-OE2 3.05Å; R1111-E1119 IonicContact CZ-OE1 2.83Å; R1111-E1119 IonicContact NH1-OE1 2.71Å; R1111-E1119 PolarHBondContact NH1-OE1 2.85Å; R1111-E1119 IonicContact NH2-OE1 3.19Å; R1111-E1119 PolarHBondContact NH2-OE1 2.83Å; Y1115-E1119 WeakPolarHBondContact CA-OE2 3.27Å; T1116-E1119 HydrophobicContact CG2-CG 4.39Å; T1116-E1119 PolarHBondContact N-OE2 3.39Å; T1116-E1119 VanDerWaalsContact N-OE2 3.15Å; T1116-E1119 PolarHBondContact O-N 3.42Å; T1116-E1119 PolarHBondContact OG1-N 3.24Å; E1119-L1121 PolarHBondContact O-N 3.32Å |
| 1120 | D | 64.7 | Low | 71.3 | Confident | 130 Ų | 130 | 67.8 Ų | 67.8 | 70% | 0.695 | 33% | 0.325 | S | S | * | . | trans | -71.5 | 91.9 | 179.3 | -170.5 | 38 | 0 | 0 | 0 | 112 | K1126 | D1120-K1126 IonicContact OD1-NZ 3.45Å; D1120-K1126 PolarHBondContact OD1-NZ 2.81Å | ||
| 1121 | L | 70.2 | Confident | 70.3 | Confident | 14 Ų | 14 | 71.6 Ų | 71.6 | 7% | 0.073 | 35% | 0.351 | C | S | . | . | trans | -57.3 | 130.4 | -173.8 | -51.4 | 172.7 | 0 | 0 | 0 | 111.5 | I1017 Y1115 E1119 V1125 K1126 M1129 | I1017-L1121 HydrophobicContact CD1-CD1 3.46Å; I1017-L1121 VanDerWaalsContact CD1-CD1 3.46Å; I1017-L1121 HydrophobicContact CD1-CD2 3.99Å; I1017-L1121 HydrophobicContact CD1-CG 4.35Å; Y1115-L1121 HydrophobicContact CD1-CD2 4.3Å; Y1115-L1121 HydrophobicContact CG-CD2 3.97Å; E1119-L1121 PolarHBondContact O-N 3.32Å; L1121-V1125 HydrophobicContact CB-CB 4.42Å; L1121-V1125 HydrophobicContact CB-CG1 4.34Å; L1121-K1126 HydrophobicContact CB-CD 4.28Å; L1121-K1126 HydrophobicContact CB-CG 3.7Å; L1121-K1126 HydrophobicContact CD1-CG 4.46Å; L1121-K1126 WeakPolarHBondContact O-CD 3.27Å; L1121-K1126 WeakPolarHBondContact O-CE 3.22Å; L1121-K1126 WeakPolarHBondContact O-CG 3.4Å; L1121-K1126 PolarHBondContact O-NZ 3.21Å; L1121-M1129 HydrophobicContact CD1-SD 4.18Å | ||
| 1122 | P | 66.7 | Low | 68.8 | Low | 42 Ų | 42 | 72.1 Ų | 72.1 | 27% | 0.273 | 36% | 0.36 | S | S | . | . | trans | -55.5 | 148 | 178 | -27.4 | 34.3 | 0 | 0 | 0 | 112.6 | Y1115 R1124 V1125 K1126 | Y1115-P1122 HydrophobicContact CE1-CG 3.77Å; P1122-R1124 PolarHBondContact O-N 2.94Å; P1122-V1125 HydrophobicContact CB-CG2 4.27Å; P1122-V1125 HydrophobicContact CG-CG2 4.3Å; P1122-V1125 WeakPolarHBondContact O-CA 3.15Å; P1122-V1125 WeakPolarHBondContact O-CB 3.37Å; P1122-V1125 PolarHBondContact O-N 2.84Å; P1122-K1126 PolarHBondContact O-N 2.9Å | ||
| 1123 | K | 56.9 | Low | 67.8 | Low | 170 Ų | 170 | 71.6 Ų | 71.6 | 74% | 0.739 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -54.4 | -28.7 | -179.3 | -67.5 | 179.9 | -179.9 | 174.6 | 0 | 113.6 | S1127 | K1123-S1127 VanDerWaalsContact O-CB 3.3Å; K1123-S1127 WeakPolarHBondContact O-CB 3.22Å; K1123-S1127 PolarHBondContact O-N 2.88Å; K1123-S1127 VanDerWaalsContact O-N 3.08Å; K1123-S1127 PolarHBondContact O-OG 2.88Å |
| 1124 | R | 57.8 | Low | 66.4 | Low | 171 Ų | 171 | 74.8 Ų | 74.8 | 65% | 0.645 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -71.6 | -28.5 | 173.6 | 176.3 | 174.5 | 166.6 | 169.6 | -5.1 | 114.1 | P1122 R1128 | P1122-R1124 PolarHBondContact O-N 2.94Å; R1124-R1128 WeakPolarHBondContact O-CB 3.22Å; R1124-R1128 WeakPolarHBondContact O-CG 3.27Å |
| 1125 | V | 70.3 | Confident | 64.7 | Low | 2 Ų | 2 | 77 Ų | 77 | 1% | 0.012 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -79.7 | -53.3 | 173.1 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | I1017 Y1025 Y1115 L1121 P1122 S1127 R1128 M1129 | I1017-V1125 HydrophobicContact CG2-CG1 4.12Å; Y1025-V1125 HydrophobicContact CD1-CG1 3.94Å; Y1025-V1125 HydrophobicContact CD1-CG2 4.39Å; Y1025-V1125 HydrophobicContact CD2-CG1 4.36Å; Y1025-V1125 HydrophobicContact CE1-CG1 4.39Å; Y1025-V1125 HydrophobicContact CE1-CG2 4.01Å; Y1025-V1125 HydrophobicContact CE2-CG2 4.26Å; Y1025-V1125 HydrophobicContact CG-CG1 3.92Å; Y1115-V1125 HydrophobicContact CD2-CG2 4.4Å; Y1115-V1125 HydrophobicContact CE1-CG2 4.38Å; Y1115-V1125 HydrophobicContact CE2-CG2 3.83Å; L1121-V1125 HydrophobicContact CB-CB 4.42Å; L1121-V1125 HydrophobicContact CB-CG1 4.34Å; P1122-V1125 HydrophobicContact CB-CG2 4.27Å; P1122-V1125 HydrophobicContact CG-CG2 4.3Å; P1122-V1125 WeakPolarHBondContact O-CA 3.15Å; P1122-V1125 WeakPolarHBondContact O-CB 3.37Å; P1122-V1125 PolarHBondContact O-N 2.84Å; V1125-S1127 VanDerWaalsContact C-N 3.26Å; V1125-S1127 PolarHBondContact O-N 3.44Å; V1125-S1127 VanDerWaalsContact O-N 3.16Å; V1125-R1128 CarbonylContact O-C 3.48Å; V1125-R1128 PolarHBondContact O-N 3.03Å; V1125-M1129 PolarHBondContact O-N 3.09Å |
| 1126 | K | 68.1 | Low | 62.8 | Low | 104 Ų | 104 | 86.3 Ų | 86.3 | 45% | 0.452 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -53.4 | -38.6 | 178.3 | -67.9 | -179.9 | 173.2 | 162 | 0 | 113.3 | D1120 L1121 P1122 R1128 | D1120-K1126 IonicContact OD1-NZ 3.45Å; D1120-K1126 PolarHBondContact OD1-NZ 2.81Å; L1121-K1126 HydrophobicContact CB-CD 4.28Å; L1121-K1126 HydrophobicContact CB-CG 3.7Å; L1121-K1126 HydrophobicContact CD1-CG 4.46Å; L1121-K1126 WeakPolarHBondContact O-CD 3.27Å; L1121-K1126 WeakPolarHBondContact O-CE 3.22Å; L1121-K1126 WeakPolarHBondContact O-CG 3.4Å; L1121-K1126 PolarHBondContact O-NZ 3.21Å; P1122-K1126 PolarHBondContact O-N 2.9Å; K1126-R1128 VanDerWaalsContact C-N 3.33Å |
| 1127 | S | 56.3 | Low | 60.7 | Low | 94 Ų | 94 | 94.3 Ų | 94.3 | 66% | 0.657 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -1 | 177.7 | 58.8 | 0 | 0 | 0 | 0 | 115.4 | K1123 V1125 | K1123-S1127 VanDerWaalsContact O-CB 3.3Å; K1123-S1127 WeakPolarHBondContact O-CB 3.22Å; K1123-S1127 PolarHBondContact O-N 2.88Å; K1123-S1127 VanDerWaalsContact O-N 3.08Å; K1123-S1127 PolarHBondContact O-OG 2.88Å; V1125-S1127 VanDerWaalsContact C-N 3.26Å; V1125-S1127 PolarHBondContact O-N 3.44Å; V1125-S1127 VanDerWaalsContact O-N 3.16Å |
| 1128 | R | 62.4 | Low | 58.9 | Low | 137 Ų | 137 | 100.4 Ų | 100.4 | 52% | 0.517 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.8 | 14 | 179.8 | -64.3 | -174.9 | 173.7 | -149.4 | -1 | 113.2 | Y1025 R1124 V1125 K1126 | Y1025-R1128 HydrophobicContact CD2-CB 4.04Å; Y1025-R1128 PolarHBondContact N-O 2.92Å; R1124-R1128 WeakPolarHBondContact O-CB 3.22Å; R1124-R1128 WeakPolarHBondContact O-CG 3.27Å; V1125-R1128 CarbonylContact O-C 3.48Å; V1125-R1128 PolarHBondContact O-N 3.03Å; K1126-R1128 VanDerWaalsContact C-N 3.33Å |
| 1129 | M | 71.9 | Confident | 57.3 | Low | 75 Ų | 75 | 100.3 Ų | 100.3 | 37% | 0.369 | 49% | 0.491 | S | S | . | . | B | Isolated β-bridge | trans | -77.4 | 126.4 | 173.2 | -162.6 | 165 | 74.8 | 0 | 0 | 108.4 | I1017 Y1025 L1121 V1125 | I1017-M1129 HydrophobicContact CD1-SD 3.95Å; Y1025-M1129 WeakPolarHBondContact O-CA 3.42Å; L1121-M1129 HydrophobicContact CD1-SD 4.18Å; V1125-M1129 PolarHBondContact O-N 3.09Å |
| 1130 | S | 69.4 | Low | 55.3 | Low | 21 Ų | 21 | 107.4 Ų | 107.4 | 15% | 0.147 | 52% | 0.521 | C | S | . | . | trans | -116.5 | 146 | -179.7 | -72.9 | 0 | 0 | 0 | 0 | 110.7 | R1024 Y1025 Y1026 | R1024-S1130 PolarHBondContact NH1-OG 3.21Å; Y1025-S1130 PolarHBondContact O-N 3.33Å; Y1026-S1130 WeakPolarHBondContact CD1-O 3.29Å | ||
| 1131 | V | 62.7 | Low | 54 | Low | 110 Ų | 110 | 107 Ų | 107 | 67% | 0.667 | 52% | 0.523 | S | S | * | . | trans | -80.9 | 145.1 | 172.2 | -175.6 | 0 | 0 | 0 | 0 | 108.5 | S1133 D1134 | V1131-S1133 PolarHBondContact O-N 3.37Å; V1131-D1134 PolarHBondContact O-N 3.29Å | ||
| 1132 | A | 49.9 | Very low | 52.5 | Low | 33 Ų | 33 | 115.3 Ų | 115.3 | 27% | 0.273 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -56.1 | -20.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1102 D1134 M1135 | E1102-A1132 WeakPolarHBondContact OE2-CB 3.2Å; A1132-D1134 PolarHBondContact O-N 3.14Å; A1132-D1134 VanDerWaalsContact O-N 3.14Å; A1132-M1135 HydrophobicContact CB-SD 4.3Å; A1132-M1135 WeakPolarHBondContact O-CB 3.45Å; A1132-M1135 PolarHBondContact O-N 3.38Å |
| 1133 | S | 52.8 | Low | 50.8 | Low | 81 Ų | 81 | 118.4 Ų | 118.4 | 57% | 0.566 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -55.6 | -26 | 170.2 | 54.1 | 0 | 0 | 0 | 0 | 114.3 | V1131 M1135 | V1131-S1133 PolarHBondContact O-N 3.37Å; S1133-M1135 VanDerWaalsContact C-N 3.28Å; S1133-M1135 PolarHBondContact O-N 2.87Å |
| 1134 | D | 50.1 | Low | 49.8 | Very low | 87 Ų | 87 | 117.9 Ų | 117.9 | 47% | 0.465 | 59% | 0.59 | S | S | . | * | G | 310 helix | trans | -77.6 | -8.2 | 175.9 | -91 | 31.3 | 0 | 0 | 0 | 113.5 | R1024 V1131 A1132 | R1024-D1134 IonicContact CZ-OD2 3.56Å; R1024-D1134 IonicContact NH1-OD2 3.69Å; R1024-D1134 PolarHBondContact NH1-OD2 3.21Å; R1024-D1134 IonicContact NH2-OD2 2.95Å; V1131-D1134 PolarHBondContact O-N 3.29Å; A1132-D1134 PolarHBondContact O-N 3.14Å; A1132-D1134 VanDerWaalsContact O-N 3.14Å |
| 1135 | M | 49.8 | Very low | 48.5 | Very low | 47 Ų | 47 | 115.5 Ų | 115.5 | 23% | 0.232 | 59% | 0.594 | C | S | . | * | G | 310 helix | trans | -85.4 | -8.9 | -179.9 | -58.9 | 175.3 | 71.3 | 0 | 0 | 112.9 | Y1026 D1103 A1132 S1133 F1137 | Y1026-M1135 HydrophobicContact CD1-CG 4.22Å; Y1026-M1135 HydrophobicContact CD1-SD 3.73Å; Y1026-M1135 HydrophobicContact CE1-CG 3.5Å; Y1026-M1135 VanDerWaalsContact CE1-CG 3.5Å; Y1026-M1135 HydrophobicContact CE1-SD 3.64Å; Y1026-M1135 HydrophobicContact CG-SD 4.32Å; D1103-M1135 HydrophobicContact CB-CE 3.78Å; D1103-M1135 WeakPolarHBondContact OD2-CE 3.27Å; A1132-M1135 HydrophobicContact CB-SD 4.3Å; A1132-M1135 WeakPolarHBondContact O-CB 3.45Å; A1132-M1135 PolarHBondContact O-N 3.38Å; S1133-M1135 VanDerWaalsContact C-N 3.28Å; S1133-M1135 PolarHBondContact O-N 2.87Å; M1135-F1137 PolarHBondContact O-N 3.1Å |
| 1136 | R | 42.5 | Very low | 46.6 | Very low | 223 Ų | 223 | 124.6 Ų | 124.6 | 84% | 0.842 | 63% | 0.634 | S | S | * | * | trans | -92.9 | 32.2 | -164.6 | -145.7 | -178.2 | -163.6 | -179.6 | 7 | 115.5 | ||||
| 1137 | F | 38.5 | Very low | 45.4 | Very low | 185 Ų | 185 | 128.4 Ų | 128.4 | 81% | 0.811 | 65% | 0.653 | S | S | * | * | trans | -127 | 57.1 | -174.6 | -82 | -71.2 | 0 | 0 | 0 | 114.4 | M1135 | M1135-F1137 PolarHBondContact O-N 3.1Š| ||
| 1138 | E | 36.3 | Very low | 44.3 | Very low | 181 Ų | 181 | 131.4 Ų | 131.4 | 85% | 0.846 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -128.7 | 166.1 | 145 | -70.6 | -158.4 | 160.3 | 0 | 0 | 109.5 | ||
| 1139 | L | 34.9 | Very low | 43.2 | Very low | 154 Ų | 154 | 130.3 Ų | 130.3 | 81% | 0.806 | 68% | 0.675 | S | S | * | * | trans | 61.4 | 87.8 | -179.4 | -61.7 | 170.1 | 0 | 0 | 0 | 116.5 | ||||
| 1140 | F | 30.2 | Very low | 41.7 | Very low | 194 Ų | 194 | 136.9 Ų | 136.9 | 85% | 0.851 | 70% | 0.701 | S | S | * | * | trans | -131.6 | 75.3 | 155.1 | -111.6 | -75.6 | 0 | 0 | 0 | 111.6 | ||||
| 1141 | T | 36.6 | Very low | 40 | Very low | 121 Ų | 121 | 147.7 Ų | 147.7 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | trans | -84.9 | 124.4 | 162.6 | 45.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 1142 | Q | 38.4 | Very low | 38.6 | Very low | 189 Ų | 189 | 151.1 Ų | 151.1 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 49.3 | 92.1 | 163.5 | -62.4 | -174.5 | -5.5 | 0 | 0 | 117.9 | ||
| 1143 | S | 30.1 | Very low | 38 | Very low | 108 Ų | 108 | 160.4 Ų | 160.4 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -153.7 | 138.4 | 145.2 | -71.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1144 | N | 36.8 | Very low | 37.4 | Very low | 158 Ų | 158 | 163.5 Ų | 163.5 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | -88.2 | 177.1 | 170.4 | -104 | -55.1 | 0 | 0 | 0 | 110.8 | ||||
| 1145 | V | 31.5 | Very low | 36.9 | Very low | 121 Ų | 121 | 163.4 Ų | 163.4 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | 77.7 | 132.4 | 170 | -170.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1146 | K | 30.2 | Very low | 36.2 | Very low | 194 Ų | 194 | 166.4 Ų | 166.4 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | cis | -142.4 | 154.9 | 4.3 | -132.2 | 150.7 | -158.2 | 168.5 | 0 | 110.2 | ||||
| 1147 | Q | 42.4 | Very low | 36.2 | Very low | 183 Ų | 183 | 160.7 Ų | 160.7 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | -71.3 | 128.8 | 165 | -66.5 | 177.1 | -9.7 | 0 | 0 | 110.5 | ||||
| 1148 | N | 32.3 | Very low | 36.4 | Very low | 158 Ų | 158 | 159.6 Ų | 159.6 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | -168.4 | 152.4 | 142.2 | -110.4 | -45.2 | 0 | 0 | 0 | 114 | ||||
| 1149 | S | 40.6 | Very low | 36.7 | Very low | 113 Ų | 113 | 157.7 Ų | 157.7 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | 39.9 | 82.7 | 169.4 | 61.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1150 | K | 39.1 | Very low | 37.1 | Very low | 214 Ų | 214 | 160.5 Ų | 160.5 | 93% | 0.93 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 133.2 | 157.7 | -74.6 | -178.3 | 177.5 | 176.3 | 0 | 109.8 | Q1152 | K1150-Q1152 PolarHBondContact O-N 3.25Š|
| 1151 | R | 33.8 | Very low | 37.8 | Very low | 248 Ų | 248 | 160.5 Ų | 160.5 | 94% | 0.936 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 126 | 174.8 | -153.1 | 179.4 | -166.4 | -165.7 | 5.2 | 109.4 | R1153 | R1151-R1153 PolarHBondContact O-N 2.9Š|
| 1152 | Q | 33.1 | Very low | 38.3 | Very low | 181 Ų | 181 | 160.9 Ų | 160.9 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 127 | -174.6 | -162.3 | 170.8 | 13 | 0 | 0 | 111 | K1150 | K1150-Q1152 PolarHBondContact O-N 3.25Š|
| 1153 | R | 38.8 | Very low | 38.5 | Very low | 229 Ų | 229 | 157.5 Ų | 157.5 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 127.5 | 171.1 | -76.8 | -175.9 | 175.4 | 172.1 | -1.1 | 108.9 | R1151 I1155 | R1151-R1153 PolarHBondContact O-N 2.9Å; R1153-I1155 PolarHBondContact O-N 3.05Å |
| 1154 | V | 38.8 | Very low | 39.5 | Very low | 145 Ų | 145 | 157 Ų | 157 | 88% | 0.879 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 121.2 | 169.3 | -178.4 | 0 | 0 | 0 | 0 | 108 | ||
| 1155 | I | 39.3 | Very low | 39.8 | Very low | 85 Ų | 85 | 154.8 Ų | 154.8 | 44% | 0.436 | 73% | 0.729 | S | S | . | * | P | Polyproline II helix | trans | -78.6 | 142.7 | 178.8 | -65.5 | 177.4 | 0 | 0 | 0 | 109.6 | R1153 Y1163 | R1153-I1155 PolarHBondContact O-N 3.05Å; I1155-Y1163 HydrophobicContact CD1-CD1 3.86Å; I1155-Y1163 HydrophobicContact CD1-CD2 4.04Å; I1155-Y1163 HydrophobicContact CD1-CE1 3.71Å; I1155-Y1163 HydrophobicContact CD1-CE2 3.89Å; I1155-Y1163 HydrophobicContact CD1-CG 4.02Å |
| 1156 | N | 35.9 | Very low | 40.4 | Very low | 110 Ų | 110 | 152.5 Ų | 152.5 | 59% | 0.588 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 130.4 | 178.1 | -171.5 | -18.6 | 0 | 0 | 0 | 110.1 | R1158 Y1159 | N1156-R1158 PolarHBondContact O-N 3.49Å; N1156-Y1159 PolarHBondContact O-N 3.41Å |
| 1157 | S | 42.5 | Very low | 41.1 | Very low | 104 Ų | 104 | 148.4 Ų | 148.4 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -59.1 | -20.8 | -169.9 | 52.3 | 0 | 0 | 0 | 0 | 114.7 | Y1159 | S1157-Y1159 VanDerWaalsContact C-N 3.27Å; S1157-Y1159 PolarHBondContact O-N 2.93Å |
| 1158 | R | 43.3 | Very low | 41.3 | Very low | 162 Ų | 162 | 144 Ų | 144 | 61% | 0.611 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -72.8 | -8.7 | -178.3 | -147.1 | -179.2 | -165.5 | 168.4 | 6.9 | 115.4 | N1156 | N1156-R1158 PolarHBondContact O-N 3.49Š|
| 1159 | Y | 42.2 | Very low | 41.7 | Very low | 140 Ų | 140 | 143 Ų | 143 | 55% | 0.549 | 68% | 0.675 | S | S | . | * | G | 310 helix | trans | -130.1 | 34 | -178.5 | -58 | -69.8 | 0 | 0 | 0 | 112 | N1156 S1157 E1161 | N1156-Y1159 PolarHBondContact O-N 3.41Å; S1157-Y1159 VanDerWaalsContact C-N 3.27Å; S1157-Y1159 PolarHBondContact O-N 2.93Å; Y1159-E1161 VanDerWaalsContact C-N 3.35Å |
| 1160 | R | 44.1 | Very low | 41.9 | Very low | 213 Ų | 213 | 145.9 Ų | 145.9 | 80% | 0.804 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -78.4 | -20.1 | -174.9 | -157.6 | 178.6 | -173.1 | -169.3 | 0.8 | 113.6 | ||
| 1161 | E | 43.8 | Very low | 42.3 | Very low | 194 Ų | 194 | 139.1 Ų | 139.1 | 91% | 0.907 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -98.3 | -31.1 | -177.4 | -69.3 | 166.1 | -174 | 0 | 0 | 111.8 | Y1159 Y1163 | Y1159-E1161 VanDerWaalsContact C-N 3.35Å; E1161-Y1163 VanDerWaalsContact C-N 3.29Å; E1161-Y1163 PolarHBondContact O-N 2.65Å |
| 1162 | D | 47.6 | Very low | 43 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 69% | 0.69 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -76.1 | -11 | 174.9 | -55.4 | -52.9 | 0 | 0 | 0 | 114 | I1164 | D1162-I1164 PolarHBondContact O-N 2.97Š|
| 1163 | Y | 43.3 | Very low | 43.4 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 47% | 0.467 | 63% | 0.628 | S | S | . | * | trans | -89.8 | 88.8 | -173.8 | -171.9 | -95.5 | 0 | 0 | 0 | 112 | I1155 E1161 E1165 P1166 | I1155-Y1163 HydrophobicContact CD1-CD1 3.86Å; I1155-Y1163 HydrophobicContact CD1-CD2 4.04Å; I1155-Y1163 HydrophobicContact CD1-CE1 3.71Å; I1155-Y1163 HydrophobicContact CD1-CE2 3.89Å; I1155-Y1163 HydrophobicContact CD1-CG 4.02Å; E1161-Y1163 VanDerWaalsContact C-N 3.29Å; E1161-Y1163 PolarHBondContact O-N 2.65Å; Y1163-E1165 HydrophobicContact CE1-CB 4.43Å; Y1163-E1165 HydrophobicContact CE1-CG 4.47Å; Y1163-E1165 PolarHBondContact O-N 3.2Å; Y1163-P1166 WeakPolarHBondContact OH-CD 3.45Å | ||
| 1164 | I | 50.5 | Low | 43.4 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 50% | 0.503 | 63% | 0.632 | S | S | . | * | trans | -67.8 | 123 | 164.6 | -57.3 | 177.6 | 0 | 0 | 0 | 108.3 | D1162 I1168 Y1169 | D1162-I1164 PolarHBondContact O-N 2.97Å; I1164-I1168 HydrophobicContact CG2-CB 4.18Å; I1164-I1168 HydrophobicContact CG2-CG2 4.08Å; I1164-Y1169 HydrophobicContact CG2-CD2 4.3Å | ||
| 1165 | E | 42.4 | Very low | 43.7 | Very low | 110 Ų | 110 | 128.8 Ų | 128.8 | 51% | 0.514 | 62% | 0.62 | S | S | . | * | trans | -68 | 136.2 | -177.1 | -168.4 | 163.2 | -132.7 | 0 | 0 | 111.1 | Y1163 V1167 I1168 Y1169 | Y1163-E1165 HydrophobicContact CE1-CB 4.43Å; Y1163-E1165 HydrophobicContact CE1-CG 4.47Å; Y1163-E1165 PolarHBondContact O-N 3.2Å; E1165-V1167 PolarHBondContact O-N 2.77Å; E1165-I1168 HydrophobicContact CB-CD1 4.26Å; E1165-I1168 HydrophobicContact CB-CG1 4.48Å; E1165-I1168 WeakPolarHBondContact O-CA 3.25Å; E1165-I1168 WeakPolarHBondContact O-CB 3.39Å; E1165-I1168 PolarHBondContact O-N 2.69Å; E1165-Y1169 PolarHBondContact O-N 3.26Å | ||
| 1166 | P | 43.5 | Very low | 43.9 | Very low | 74 Ų | 74 | 131.1 Ų | 131.1 | 48% | 0.481 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -60.1 | -14.3 | -171.8 | -29.3 | 36.3 | 0 | 0 | 0 | 116.6 | Y1163 R1170 | Y1163-P1166 WeakPolarHBondContact OH-CD 3.45Å; P1166-R1170 PolarHBondContact O-N 3.14Å |
| 1167 | V | 44.8 | Very low | 44.3 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 65% | 0.648 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -77.1 | -42.6 | 172.1 | -174.8 | 0 | 0 | 0 | 0 | 110.6 | E1165 R1170 A1171 | E1165-V1167 PolarHBondContact O-N 2.77Å; V1167-R1170 PolarHBondContact O-N 3.08Å; V1167-A1171 PolarHBondContact O-N 2.93Å; V1167-A1171 VanDerWaalsContact O-N 3.13Å |
| 1168 | I | 46.8 | Very low | 44.4 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 47% | 0.467 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66.3 | -40.7 | 175.5 | -59.7 | 173.9 | 0 | 0 | 0 | 109.8 | I1164 E1165 R1170 A1171 I1172 | I1164-I1168 HydrophobicContact CG2-CB 4.18Å; I1164-I1168 HydrophobicContact CG2-CG2 4.08Å; E1165-I1168 HydrophobicContact CB-CD1 4.26Å; E1165-I1168 HydrophobicContact CB-CG1 4.48Å; E1165-I1168 WeakPolarHBondContact O-CA 3.25Å; E1165-I1168 WeakPolarHBondContact O-CB 3.39Å; E1165-I1168 PolarHBondContact O-N 2.69Å; I1168-R1170 PolarHBondContact O-N 2.93Å; I1168-A1171 CarbonylContact O-C 3.59Å; I1168-A1171 PolarHBondContact O-N 3.15Å; I1168-I1172 HydrophobicContact CG2-CD1 3.77Å; I1168-I1172 WeakPolarHBondContact O-CG1 3.39Å; I1168-I1172 PolarHBondContact O-N 3.21Å |
| 1169 | Y | 41.8 | Very low | 44.5 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 54% | 0.537 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.7 | -25.6 | 177 | -160.7 | -91.6 | 0 | 0 | 0 | 113.2 | I1164 E1165 M1173 | I1164-Y1169 HydrophobicContact CG2-CD2 4.3Å; E1165-Y1169 PolarHBondContact O-N 3.26Å; Y1169-M1173 HydrophobicContact CD1-CG 4.25Å; Y1169-M1173 HydrophobicContact CE1-CG 4.06Å; Y1169-M1173 WeakPolarHBondContact O-CG 3.49Å |
| 1170 | R | 43.8 | Very low | 44.7 | Very low | 174 Ų | 174 | 131.7 Ų | 131.7 | 66% | 0.657 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -75.4 | -45.6 | 169.5 | -76.6 | -172.7 | 179.6 | -155.8 | -3.4 | 112.2 | P1166 V1167 I1168 I1172 M1173 E1174 | P1166-R1170 PolarHBondContact O-N 3.14Å; V1167-R1170 PolarHBondContact O-N 3.08Å; I1168-R1170 PolarHBondContact O-N 2.93Å; R1170-I1172 PolarHBondContact O-N 2.87Å; R1170-M1173 CarbonylContact O-C 3.58Å; R1170-M1173 PolarHBondContact O-N 3.46Å; R1170-E1174 PolarHBondContact O-N 3.48Å |
| 1171 | A | 48.1 | Very low | 44.7 | Very low | 72 Ų | 72 | 125.9 Ų | 125.9 | 60% | 0.595 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 10.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | V1167 I1168 | V1167-A1171 PolarHBondContact O-N 2.93Å; V1167-A1171 VanDerWaalsContact O-N 3.13Å; I1168-A1171 CarbonylContact O-C 3.59Å; I1168-A1171 PolarHBondContact O-N 3.15Å |
| 1172 | I | 49.2 | Very low | 44.8 | Very low | 114 Ų | 114 | 120.6 Ų | 120.6 | 59% | 0.585 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.1 | -11.7 | 172.1 | -67.9 | 170.5 | 0 | 0 | 0 | 110.9 | I1168 R1170 | I1168-I1172 HydrophobicContact CG2-CD1 3.77Å; I1168-I1172 WeakPolarHBondContact O-CG1 3.39Å; I1168-I1172 PolarHBondContact O-N 3.21Å; R1170-I1172 PolarHBondContact O-N 2.87Å |
| 1173 | M | 41.3 | Very low | 44.5 | Very low | 137 Ų | 137 | 119.9 Ų | 119.9 | 68% | 0.675 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.9 | 1.4 | -178.1 | -63.5 | -71.2 | -65.6 | 0 | 0 | 112.5 | Y1169 R1170 | Y1169-M1173 HydrophobicContact CD1-CG 4.25Å; Y1169-M1173 HydrophobicContact CE1-CG 4.06Å; Y1169-M1173 WeakPolarHBondContact O-CG 3.49Å; R1170-M1173 CarbonylContact O-C 3.58Å; R1170-M1173 PolarHBondContact O-N 3.46Å |
| 1174 | E | 39 | Very low | 44.6 | Very low | 206 Ų | 206 | 120 Ų | 120 | 96% | 0.963 | 60% | 0.602 | S | S | * | * | trans | -111.9 | 0 | 166.4 | -70.8 | 174.7 | -167.6 | 0 | 0 | 108.4 | R1170 | R1170-E1174 PolarHBondContact O-N 3.48Š|
Retrieved 1,174 of 1,174 residues in 749.9 ms
(Link to these results)