| 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 | 62 | Low | 52.5 | Low | 245 Ų | 245 | 134.8 Ų | 134.8 | 100% | 1.207 | 80% | 0.798 | S | S | * | * | 0 | 145 | 0 | -84.4 | 50.6 | -178.7 | 0 | 0 | 107.9 | |||||
| 2 | A | 42 | Very low | 55.4 | Low | 101 Ų | 101 | 133.8 Ų | 133.8 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | -90.1 | 175.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 3 | E | 48.5 | Very low | 58 | Low | 161 Ų | 161 | 124.8 Ų | 124.8 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | trans | -70.6 | 179.9 | -179.8 | -50.2 | -168.7 | 123.1 | 0 | 0 | 113.3 | ||||
| 4 | P | 50.4 | Low | 60.4 | Low | 132 Ų | 132 | 124.6 Ų | 124.6 | 86% | 0.857 | 71% | 0.707 | S | S | * | * | -125.6 | 138.9 | 86.8 | 36.7 | -31.4 | 0 | 0 | 0 | 115.1 | |||||
| 5 | S | 42.4 | Very low | 62.5 | Low | 98 Ų | 98 | 116.3 Ų | 116.3 | 69% | 0.685 | 66% | 0.66 | S | S | * | * | trans | -71.3 | 164.2 | 173.4 | -172.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 6 | G | 40 | Very low | 64.4 | Low | 72 Ų | 72 | 109.9 Ų | 109.9 | 74% | 0.742 | 62% | 0.624 | S | S | * | * | trans | 78 | 77.4 | 153.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 7 | A | 44.9 | Very low | 66 | Low | 97 Ų | 97 | 103.4 Ų | 103.4 | 80% | 0.802 | 59% | 0.587 | S | S | * | * | trans | -110.8 | 79.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T9 | A7-T9 PolarHBondContact O-N 2.97Š| ||
| 8 | E | 47.3 | Very low | 67.4 | Low | 173 Ų | 173 | 102.7 Ų | 102.7 | 81% | 0.808 | 58% | 0.576 | S | S | * | * | trans | -68.1 | 110.2 | 171 | -72 | -176 | 92.4 | 0 | 0 | 110.6 | R10 | E8-R10 VanDerWaalsContact C-N 3.3Å; E8-R10 PolarHBondContact O-N 3.19Å | ||
| 9 | T | 55.8 | Low | 68.6 | Low | 146 Ų | 146 | 98.4 Ų | 98.4 | 90% | 0.896 | 55% | 0.553 | S | S | * | * | trans | -69.7 | 85 | 172.4 | 15.5 | 0 | 0 | 0 | 0 | 110.6 | A7 | A7-T9 PolarHBondContact O-N 2.97Š| ||
| 10 | R | 66.6 | Low | 69.4 | Low | 176 Ų | 176 | 99.7 Ų | 99.7 | 66% | 0.664 | 57% | 0.566 | S | S | * | * | trans | -56.1 | 132.6 | 173.5 | -64.3 | -178.6 | -179.2 | -177.5 | -0.3 | 109.8 | E8 Q12 | E8-R10 VanDerWaalsContact C-N 3.3Å; E8-R10 PolarHBondContact O-N 3.19Å; R10-Q12 PolarHBondContact O-N 3.47Å | ||
| 11 | P | 77.7 | Confident | 70 | Confident | 82 Ų | 82 | 104 Ų | 104 | 53% | 0.532 | 58% | 0.578 | S | S | . | * | trans | -63 | 124.9 | -178.9 | 24.6 | -33 | 0 | 0 | 0 | 110.3 | C29 D30 | P11-C29 WeakPolarHBondContact O-CA 3.45Å; P11-D30 HydrophobicContact CG-CB 4.35Å; P11-D30 PolarHBondContact O-N 3.09Å | ||
| 12 | Q | 86.7 | Confident | 71.2 | Confident | 123 Ų | 123 | 97.3 Ų | 97.3 | 58% | 0.575 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 133.7 | -178.6 | -144.4 | -179 | -8.1 | 0 | 0 | 109.8 | R10 V27 I28 | R10-Q12 PolarHBondContact O-N 3.47Å; Q12-V27 HydrophobicContact CG-CG1 3.91Å; Q12-V27 PolarHBondContact NE2-O 3.29Å; Q12-I28 CarbonylContact C-O 3.57Å; Q12-I28 WeakPolarHBondContact CA-O 3.45Å; Q12-I28 VanDerWaalsContact CG-O 3.28Å; Q12-I28 WeakPolarHBondContact CG-O 3.21Å |
| 13 | I | 90.1 | Very high | 73.5 | Confident | 16 Ų | 16 | 98.3 Ų | 98.3 | 8% | 0.082 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 141.7 | -179.5 | 57.3 | 169.2 | 0 | 0 | 0 | 110.4 | V15 V27 I28 D30 L67 I72 D74 | I13-V15 HydrophobicContact CD1-CG2 3.85Å; I13-V15 HydrophobicContact CG1-CG2 4.07Å; I13-V27 WeakPolarHBondContact O-CA 3.25Å; I13-I28 HydrophobicContact CG1-CG2 4.22Å; I13-I28 WeakPolarHBondContact CG1-O 3.46Å; I13-I28 PolarHBondContact N-O 3.11Å; I13-I28 PolarHBondContact O-N 2.92Å; I13-D30 HydrophobicContact CD1-CB 4.44Å; I13-D30 HydrophobicContact CG1-CB 4.47Å; I13-D30 HydrophobicContact CG2-CB 4.04Å; I13-L67 HydrophobicContact CD1-CD1 4.39Å; I13-I72 HydrophobicContact CD1-CG2 4.34Å; I13-D74 HydrophobicContact CB-CB 4.2Å; I13-D74 HydrophobicContact CG2-CB 4.11Å |
| 14 | R | 91.5 | Very high | 75.5 | Confident | 123 Ų | 123 | 93.5 Ų | 93.5 | 46% | 0.464 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 118.2 | 170.1 | -65.1 | 160.8 | -70.8 | -165.3 | 2.6 | 108.9 | E25 I26 V27 D74 G75 | R14-E25 HydrophobicContact CB-CG 4.25Å; R14-E25 WeakPolarHBondContact CB-OE1 3.39Å; R14-E25 WeakPolarHBondContact CD-OE1 3.44Å; R14-I26 WeakPolarHBondContact CA-O 3.4Å; R14-V27 HydrophobicContact CG-CG1 3.92Å; R14-V27 HydrophobicContact CG-CG2 4.14Å; R14-D74 VanDerWaalsContact CB-OD1 3.29Å; R14-D74 WeakPolarHBondContact CB-OD1 3.44Å; R14-D74 IonicContact CZ-OD1 2.7Å; R14-D74 IonicContact CZ-OD2 3.82Å; R14-D74 PolarHBondContact N-OD1 2.75Å; R14-D74 IonicContact NE-OD1 3.55Å; R14-D74 PolarHBondContact NE-OD1 3.2Å; R14-D74 IonicContact NE-OD2 3.63Å; R14-D74 IonicContact NH2-OD1 3.83Å; R14-D74 IonicContact NH2-OD2 2.81Å; R14-D74 PolarHBondContact NH2-OD2 3.43Å; R14-G75 PolarHBondContact O-N 3.29Å |
| 15 | V | 90.9 | Very high | 77.4 | Confident | 0 Ų | 0 | 91.7 Ų | 91.7 | 0% | 0 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122.5 | 176.8 | -172.4 | 0 | 0 | 0 | 0 | 108.1 | I13 I26 I28 F37 I72 V78 | I13-V15 HydrophobicContact CD1-CG2 3.85Å; I13-V15 HydrophobicContact CG1-CG2 4.07Å; V15-I26 PolarHBondContact N-O 3.2Å; V15-I26 PolarHBondContact O-N 2.93Å; V15-I28 HydrophobicContact CG2-CG2 4.41Å; V15-F37 HydrophobicContact CB-CE2 4.01Å; V15-F37 HydrophobicContact CB-CZ 3.72Å; V15-F37 HydrophobicContact CG1-CE1 4.19Å; V15-F37 HydrophobicContact CG1-CE2 4.34Å; V15-F37 HydrophobicContact CG1-CZ 3.54Å; V15-F37 HydrophobicContact CG2-CE2 4.45Å; V15-F37 HydrophobicContact CG2-CZ 4.36Å; V15-I72 HydrophobicContact CG1-CG2 3.97Å; V15-I72 HydrophobicContact CG2-CG2 3.71Å; V15-V78 HydrophobicContact CG1-CB 4.33Å; V15-V78 HydrophobicContact CG1-CG2 3.59Å |
| 16 | T | 92.7 | Very high | 79.7 | Confident | 13 Ų | 13 | 87 Ų | 87 | 8% | 0.08 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 128.4 | 171.7 | -82.4 | 0 | 0 | 0 | 0 | 108.9 | K18 K23 E24 L76 T77 V78 | T16-K18 HydrophobicContact CG2-CG 4.1Å; T16-K23 HydrophobicContact CG2-CD 4.2Å; T16-K23 VanDerWaalsContact CG2-CE 3.44Å; T16-K23 HydrophobicContact CG2-CG 3.83Å; T16-K23 PolarHBondContact OG1-NZ 3.2Å; T16-E24 WeakPolarHBondContact CA-O 3.47Å; T16-L76 PolarHBondContact N-O 2.87Å; T16-T77 HydrophobicContact CG2-CG2 3.94Å; T16-T77 WeakPolarHBondContact CG2-OG1 3.43Å; T16-T77 CarbonylContact O-C 3.38Å; T16-T77 WeakPolarHBondContact O-CA 3.4Å; T16-V78 PolarHBondContact O-N 3.46Å |
| 17 | V | 92.7 | Very high | 82.1 | Confident | 0 Ų | 0 | 87 Ų | 87 | 0% | 0 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 115.3 | 175.6 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | K23 E24 I26 F37 I41 F45 V78 L80 | V17-K23 WeakPolarHBondContact O-CA 3.32Å; V17-E24 PolarHBondContact N-O 3.18Å; V17-E24 PolarHBondContact O-N 3.27Å; V17-I26 HydrophobicContact CG2-CD1 4.07Å; V17-F37 HydrophobicContact CG2-CE1 4.26Å; V17-F37 HydrophobicContact CG2-CE2 4.24Å; V17-F37 HydrophobicContact CG2-CZ 3.53Å; V17-I41 HydrophobicContact CG2-CD1 4.17Å; V17-I41 HydrophobicContact CG2-CG1 4.19Å; V17-F45 HydrophobicContact CB-CE2 4.15Å; V17-F45 HydrophobicContact CB-CZ 4.4Å; V17-F45 HydrophobicContact CG1-CE2 3.8Å; V17-F45 HydrophobicContact CG1-CZ 4.05Å; V17-V78 WeakPolarHBondContact CA-O 3.2Å; V17-L80 HydrophobicContact CG1-CB 3.64Å; V17-L80 HydrophobicContact CG1-CD2 3.9Å; V17-L80 HydrophobicContact CG1-CG 4.42Å |
| 18 | K | 91.7 | Very high | 84.2 | Confident | 90 Ų | 90 | 83.2 Ų | 83.2 | 39% | 0.391 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 119.1 | 177.6 | -74.5 | -178.2 | 71.6 | -166.8 | 0 | 111.2 | T16 K23 T77 V78 H79 L80 | T16-K18 HydrophobicContact CG2-CG 4.1Å; K18-K23 HydrophobicContact CG-CB 4.36Å; K18-K23 HydrophobicContact CG-CG 4.07Å; K18-T77 HydrophobicContact CB-CG2 4.43Å; K18-T77 HydrophobicContact CD-CG2 3.62Å; K18-T77 HydrophobicContact CG-CG2 3.89Å; K18-V78 PolarHBondContact N-O 3.41Å; K18-H79 CarbonylContact O-C 3.41Å; K18-H79 WeakPolarHBondContact O-CA 3.26Å; K18-L80 PolarHBondContact O-N 3.5Å |
| 19 | T | 89 | Confident | 86.2 | Confident | 21 Ų | 21 | 76.9 Ų | 76.9 | 13% | 0.129 | 38% | 0.384 | C | S | . | . | trans | -91.4 | 170.1 | 160 | 63.5 | 0 | 0 | 0 | 0 | 109.8 | K21 D22 F45 L80 | T19-K21 PolarHBondContact O-N 3.44Å; T19-K21 VanDerWaalsContact O-N 3.08Å; T19-K21 PolarHBondContact OG1-N 3.02Å; T19-D22 PolarHBondContact N-O 3.42Å; T19-D22 PolarHBondContact OG1-N 2.99Å; T19-D22 PolarHBondContact OG1-O 3.05Å; T19-F45 HydrophobicContact CG2-CD1 3.7Å; T19-F45 HydrophobicContact CG2-CE1 3.37Å; T19-F45 HydrophobicContact CG2-CZ 4.01Å; T19-L80 HydrophobicContact CG2-CB 3.9Å; T19-L80 HydrophobicContact CG2-CD2 3.66Å; T19-L80 HydrophobicContact CG2-CG 3.86Å | ||
| 20 | P | 85 | Confident | 87.5 | Confident | 125 Ų | 125 | 71.5 Ų | 71.5 | 81% | 0.812 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -66.7 | 5.9 | 169.2 | 26.6 | -37 | 0 | 0 | 0 | 115.3 | ||
| 21 | K | 82.4 | Confident | 88.2 | Confident | 191 Ų | 191 | 69 Ų | 69 | 83% | 0.83 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -128.6 | -46.3 | 178.6 | -64.8 | -174.1 | 178 | -176.9 | 0 | 112.7 | T19 | T19-K21 PolarHBondContact O-N 3.44Å; T19-K21 VanDerWaalsContact O-N 3.08Å; T19-K21 PolarHBondContact OG1-N 3.02Å |
| 22 | D | 87.4 | Confident | 88.6 | Confident | 104 Ų | 104 | 65.3 Ų | 65.3 | 56% | 0.556 | 32% | 0.322 | S | S | * | . | trans | -130.5 | 149.4 | -169.8 | -61.6 | -88 | 0 | 0 | 0 | 112.2 | T19 F45 | T19-D22 PolarHBondContact N-O 3.42Å; T19-D22 PolarHBondContact OG1-N 2.99Å; T19-D22 PolarHBondContact OG1-O 3.05Å; D22-F45 HydrophobicContact CB-CE1 4.14Å | ||
| 23 | K | 90 | Very high | 88.7 | Confident | 121 Ų | 121 | 60.8 Ų | 60.8 | 53% | 0.526 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 119.3 | 173.9 | 178.3 | -158.9 | -177.9 | -61 | 0 | 109 | T16 V17 K18 | T16-K23 HydrophobicContact CG2-CD 4.2Å; T16-K23 VanDerWaalsContact CG2-CE 3.44Å; T16-K23 HydrophobicContact CG2-CG 3.83Å; T16-K23 PolarHBondContact OG1-NZ 3.2Å; V17-K23 WeakPolarHBondContact O-CA 3.32Å; K18-K23 HydrophobicContact CG-CB 4.36Å; K18-K23 HydrophobicContact CG-CG 4.07Å |
| 24 | E | 90 | Very high | 88.6 | Confident | 60 Ų | 60 | 60 Ų | 60 | 28% | 0.28 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 167.5 | 167.6 | -80.4 | -145.6 | -147.9 | 0 | 0 | 111.8 | T16 V17 R44 F45 | T16-E24 WeakPolarHBondContact CA-O 3.47Å; V17-E24 PolarHBondContact N-O 3.18Å; V17-E24 PolarHBondContact O-N 3.27Å; E24-R44 VanDerWaalsContact OE2-CD 3.27Å; E24-R44 WeakPolarHBondContact OE2-CD 3.47Å; E24-R44 WeakPolarHBondContact OE2-CG 3.34Å; E24-R44 IonicContact OE2-CZ 2.85Å; E24-R44 IonicContact OE2-NE 3.62Å; E24-R44 IonicContact OE2-NH1 2.76Å; E24-R44 PolarHBondContact OE2-NH1 3.19Å; E24-F45 HydrophobicContact CB-CE2 3.97Å; E24-F45 HydrophobicContact CB-CZ 3.87Å; E24-F45 HydrophobicContact CG-CE2 4.39Å; E24-F45 HydrophobicContact CG-CZ 4.15Å |
| 25 | E | 91.4 | Very high | 88.5 | Confident | 95 Ų | 95 | 60 Ų | 60 | 44% | 0.444 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 125.2 | 173.6 | -171.4 | 174.5 | 151.3 | 0 | 0 | 108.6 | R14 | R14-E25 HydrophobicContact CB-CG 4.25Å; R14-E25 WeakPolarHBondContact CB-OE1 3.39Å; R14-E25 WeakPolarHBondContact CD-OE1 3.44Å |
| 26 | I | 89.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 131.8 | -170.5 | -67.4 | 177.4 | 0 | 0 | 0 | 108.8 | R14 V15 V17 F37 E40 I41 R44 | R14-I26 WeakPolarHBondContact CA-O 3.4Å; V15-I26 PolarHBondContact N-O 3.2Å; V15-I26 PolarHBondContact O-N 2.93Å; V17-I26 HydrophobicContact CG2-CD1 4.07Å; I26-F37 HydrophobicContact CB-CE2 4.08Å; I26-F37 HydrophobicContact CG2-CD2 4.16Å; I26-F37 HydrophobicContact CG2-CE2 3.79Å; I26-E40 HydrophobicContact CG2-CB 4.08Å; I26-E40 HydrophobicContact CG2-CG 3.51Å; I26-I41 HydrophobicContact CD1-CB 4.23Å; I26-I41 HydrophobicContact CD1-CG1 3.42Å; I26-I41 VanDerWaalsContact CD1-CG1 3.42Å; I26-R44 HydrophobicContact CD1-CG 4.08Å; I26-R44 HydrophobicContact CG1-CG 4.26Å |
| 27 | V | 91.2 | Very high | 88.3 | Confident | 71 Ų | 71 | 64.2 Ų | 64.2 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 107.7 | -173.3 | -155.6 | 0 | 0 | 0 | 0 | 108.6 | Q12 I13 R14 | Q12-V27 HydrophobicContact CG-CG1 3.91Å; Q12-V27 PolarHBondContact NE2-O 3.29Å; I13-V27 WeakPolarHBondContact O-CA 3.25Å; R14-V27 HydrophobicContact CG-CG1 3.92Å; R14-V27 HydrophobicContact CG-CG2 4.14Å |
| 28 | I | 89.2 | Confident | 88.1 | Confident | 17 Ų | 17 | 65 Ų | 65 | 9% | 0.087 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 155.5 | -171.1 | -169.8 | 163.4 | 0 | 0 | 0 | 111.5 | Q12 I13 V15 D30 A32 E36 F37 L67 | Q12-I28 CarbonylContact C-O 3.57Å; Q12-I28 WeakPolarHBondContact CA-O 3.45Å; Q12-I28 VanDerWaalsContact CG-O 3.28Å; Q12-I28 WeakPolarHBondContact CG-O 3.21Å; I13-I28 HydrophobicContact CG1-CG2 4.22Å; I13-I28 WeakPolarHBondContact CG1-O 3.46Å; I13-I28 PolarHBondContact N-O 3.11Å; I13-I28 PolarHBondContact O-N 2.92Å; V15-I28 HydrophobicContact CG2-CG2 4.41Å; I28-D30 PolarHBondContact O-N 3.31Å; I28-A32 HydrophobicContact CD1-CB 3.75Å; I28-A32 HydrophobicContact CG1-CB 3.7Å; I28-E36 HydrophobicContact CD1-CB 4.33Å; I28-F37 HydrophobicContact CB-CD2 4.45Å; I28-F37 VanDerWaalsContact CD1-CA 3.45Å; I28-F37 HydrophobicContact CD1-CB 3.76Å; I28-F37 HydrophobicContact CD1-CD2 3.86Å; I28-F37 HydrophobicContact CD1-CG 4.27Å; I28-F37 HydrophobicContact CG2-CD2 3.9Å; I28-F37 HydrophobicContact CG2-CE2 4.18Å; I28-L67 HydrophobicContact CD1-CD1 4.43Å; I28-L67 HydrophobicContact CG2-CD1 3.56Å |
| 29 | C | 87.5 | Confident | 88 | Confident | 41 Ų | 41 | 64.2 Ų | 64.2 | 28% | 0.277 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 136.8 | 173.5 | -67.3 | 0 | 0 | 0 | 0 | 110.7 | P11 Q31 A32 | P11-C29 WeakPolarHBondContact O-CA 3.45Å; C29-Q31 VanDerWaalsContact C-N 3.28Å; C29-Q31 PolarHBondContact O-N 3.05Å; C29-A32 HydrophobicContact CB-CB 4.32Å; C29-A32 WeakPolarHBondContact O-CB 3.32Å; C29-A32 PolarHBondContact O-N 3.38Å |
| 30 | D | 83.6 | Confident | 88 | Confident | 33 Ų | 33 | 66.2 Ų | 66.2 | 18% | 0.176 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -45.7 | 176.1 | 163.2 | 54.1 | 0 | 0 | 0 | 111.9 | P11 I13 I28 A32 S68 | P11-D30 HydrophobicContact CG-CB 4.35Å; P11-D30 PolarHBondContact O-N 3.09Å; I13-D30 HydrophobicContact CD1-CB 4.44Å; I13-D30 HydrophobicContact CG1-CB 4.47Å; I13-D30 HydrophobicContact CG2-CB 4.04Å; I28-D30 PolarHBondContact O-N 3.31Å; D30-A32 PolarHBondContact O-N 3.15Å; D30-A32 VanDerWaalsContact O-N 3.16Å; D30-S68 VanDerWaalsContact CG-OG 3.24Å; D30-S68 PolarHBondContact O-OG 2.8Å; D30-S68 WeakPolarHBondContact OD1-CB 3.43Å; D30-S68 PolarHBondContact OD1-OG 3.34Å; D30-S68 PolarHBondContact OD2-OG 3.43Å |
| 31 | Q | 81.7 | Confident | 88.3 | Confident | 124 Ų | 124 | 60.2 Ų | 60.2 | 58% | 0.579 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | 9.1 | 179.8 | -60.5 | -61 | -57.6 | 0 | 0 | 114.3 | C29 S68 | C29-Q31 VanDerWaalsContact C-N 3.28Å; C29-Q31 PolarHBondContact O-N 3.05Å; Q31-S68 PolarHBondContact NE2-OG 3.23Å |
| 32 | A | 85.4 | Confident | 88.5 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 3% | 0.033 | 26% | 0.259 | C | S | . | . | trans | -70.4 | 150.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I28 C29 D30 E36 T66 L67 | I28-A32 HydrophobicContact CD1-CB 3.75Å; I28-A32 HydrophobicContact CG1-CB 3.7Å; C29-A32 HydrophobicContact CB-CB 4.32Å; C29-A32 WeakPolarHBondContact O-CB 3.32Å; C29-A32 PolarHBondContact O-N 3.38Å; D30-A32 PolarHBondContact O-N 3.15Å; D30-A32 VanDerWaalsContact O-N 3.16Å; A32-E36 HydrophobicContact CB-CB 4.3Å; A32-T66 WeakPolarHBondContact O-CA 3.22Å; A32-L67 HydrophobicContact CB-CD1 4.47Å; A32-L67 PolarHBondContact O-N 3.01Å; A32-L67 VanDerWaalsContact O-N 3.14Å | ||
| 33 | S | 88.9 | Confident | 88.6 | Confident | 28 Ų | 28 | 54.8 Ų | 54.8 | 20% | 0.196 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -70.3 | 154.5 | 168.9 | 64.6 | 0 | 0 | 0 | 0 | 111.7 | K35 E36 F37 D65 | S33-K35 PolarHBondContact O-N 3.25Å; S33-E36 VanDerWaalsContact CB-OE2 3.3Å; S33-E36 WeakPolarHBondContact CB-OE2 3.33Å; S33-E36 PolarHBondContact N-OE2 3.37Å; S33-E36 PolarHBondContact O-N 3.37Å; S33-E36 WeakPolarHBondContact OG-CG 3.34Å; S33-E36 PolarHBondContact OG-N 3.25Å; S33-E36 VanDerWaalsContact OG-N 3.15Å; S33-E36 PolarHBondContact OG-OE2 2.9Å; S33-F37 PolarHBondContact O-N 2.9Å; S33-F37 VanDerWaalsContact O-N 3.11Å; S33-D65 WeakPolarHBondContact CA-O 3.48Å |
| 34 | V | 89.3 | Confident | 88.4 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.3 | -31.1 | 169.5 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | F37 K38 L54 L61 K62 D65 L67 | V34-F37 PolarHBondContact O-N 3.49Å; V34-K38 WeakPolarHBondContact O-CG 3.23Å; V34-K38 PolarHBondContact O-N 2.87Å; V34-L54 HydrophobicContact CG1-CD1 4.3Å; V34-L61 HydrophobicContact CG1-CB 3.81Å; V34-L61 HydrophobicContact CG1-CD2 4.37Å; V34-L61 HydrophobicContact CG2-CB 3.93Å; V34-L61 HydrophobicContact CG2-CD2 3.89Å; V34-L61 HydrophobicContact CG2-CG 4.29Å; V34-K62 VanDerWaalsContact CB-O 3.26Å; V34-K62 WeakPolarHBondContact CB-O 3.32Å; V34-K62 WeakPolarHBondContact CG2-O 3.4Å; V34-D65 HydrophobicContact CG2-CB 4.21Å; V34-D65 WeakPolarHBondContact CG2-O 3.31Å; V34-D65 PolarHBondContact N-O 2.88Å; V34-L67 HydrophobicContact CG2-CD2 4.37Å |
| 35 | K | 88.1 | Confident | 88.1 | Confident | 121 Ų | 121 | 52.5 Ų | 52.5 | 53% | 0.526 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63 | -47.7 | 174.7 | -172.3 | -176.8 | 175.9 | -174.4 | 0 | 112.7 | S33 F37 K38 E39 D63 | S33-K35 PolarHBondContact O-N 3.25Å; K35-F37 VanDerWaalsContact C-N 3.29Å; K35-F37 PolarHBondContact O-N 3.5Å; K35-K38 PolarHBondContact O-N 3.2Å; K35-E39 PolarHBondContact O-N 3.45Å; K35-D63 HydrophobicContact CB-CB 4.24Å |
| 36 | E | 89.4 | Confident | 87.8 | Confident | 102 Ų | 102 | 57.2 Ų | 57.2 | 48% | 0.477 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62 | -39.2 | 175 | -72.6 | 158.1 | 102.7 | 0 | 0 | 111.1 | I28 A32 S33 E39 E40 | I28-E36 HydrophobicContact CD1-CB 4.33Å; A32-E36 HydrophobicContact CB-CB 4.3Å; S33-E36 VanDerWaalsContact CB-OE2 3.3Å; S33-E36 WeakPolarHBondContact CB-OE2 3.33Å; S33-E36 PolarHBondContact N-OE2 3.37Å; S33-E36 PolarHBondContact O-N 3.37Å; S33-E36 WeakPolarHBondContact OG-CG 3.34Å; S33-E36 PolarHBondContact OG-N 3.25Å; S33-E36 VanDerWaalsContact OG-N 3.15Å; S33-E36 PolarHBondContact OG-OE2 2.9Å; E36-E39 WeakPolarHBondContact O-CB 3.27Å; E36-E39 PolarHBondContact O-N 2.78Å; E36-E39 VanDerWaalsContact O-N 3.16Å; E36-E40 PolarHBondContact O-N 3.41Å; E36-E40 VanDerWaalsContact O-N 3.15Å |
| 37 | F | 90.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 175.4 | -169.3 | -135.3 | 0 | 0 | 0 | 112.2 | V15 V17 I26 I28 S33 V34 K35 E39 E40 I41 L54 L67 V78 | V15-F37 HydrophobicContact CB-CE2 4.01Å; V15-F37 HydrophobicContact CB-CZ 3.72Å; V15-F37 HydrophobicContact CG1-CE1 4.19Å; V15-F37 HydrophobicContact CG1-CE2 4.34Å; V15-F37 HydrophobicContact CG1-CZ 3.54Å; V15-F37 HydrophobicContact CG2-CE2 4.45Å; V15-F37 HydrophobicContact CG2-CZ 4.36Å; V17-F37 HydrophobicContact CG2-CE1 4.26Å; V17-F37 HydrophobicContact CG2-CE2 4.24Å; V17-F37 HydrophobicContact CG2-CZ 3.53Å; I26-F37 HydrophobicContact CB-CE2 4.08Å; I26-F37 HydrophobicContact CG2-CD2 4.16Å; I26-F37 HydrophobicContact CG2-CE2 3.79Å; I28-F37 HydrophobicContact CB-CD2 4.45Å; I28-F37 VanDerWaalsContact CD1-CA 3.45Å; I28-F37 HydrophobicContact CD1-CB 3.76Å; I28-F37 HydrophobicContact CD1-CD2 3.86Å; I28-F37 HydrophobicContact CD1-CG 4.27Å; I28-F37 HydrophobicContact CG2-CD2 3.9Å; I28-F37 HydrophobicContact CG2-CE2 4.18Å; S33-F37 PolarHBondContact O-N 2.9Å; S33-F37 VanDerWaalsContact O-N 3.11Å; V34-F37 PolarHBondContact O-N 3.49Å; K35-F37 VanDerWaalsContact C-N 3.29Å; K35-F37 PolarHBondContact O-N 3.5Å; F37-E39 VanDerWaalsContact C-N 3.26Å; F37-E39 PolarHBondContact O-N 3.2Å; F37-E40 PolarHBondContact O-N 3.4Å; F37-I41 HydrophobicContact CD1-CD1 3.67Å; F37-I41 HydrophobicContact CD2-CD1 4.13Å; F37-I41 HydrophobicContact CD2-CG1 4.49Å; F37-I41 HydrophobicContact CE1-CD1 3.66Å; F37-I41 HydrophobicContact CE2-CD1 4.12Å; F37-I41 HydrophobicContact CE2-CG1 4.4Å; F37-I41 HydrophobicContact CG-CD1 3.92Å; F37-I41 HydrophobicContact CZ-CD1 3.88Å; F37-I41 HydrophobicContact CZ-CG1 4.5Å; F37-I41 WeakPolarHBondContact O-CB 3.19Å; F37-I41 WeakPolarHBondContact O-CD1 3.38Å; F37-I41 WeakPolarHBondContact O-CG1 3.14Å; F37-I41 PolarHBondContact O-N 3.1Å; F37-L54 HydrophobicContact CD1-CD1 3.77Å; F37-L54 HydrophobicContact CE1-CD1 4.21Å; F37-L54 HydrophobicContact CE1-CD2 4.31Å; F37-L67 HydrophobicContact CB-CD1 4.26Å; F37-L67 HydrophobicContact CB-CD2 4.07Å; F37-L67 HydrophobicContact CD1-CD2 3.64Å; F37-L67 HydrophobicContact CD2-CD1 4.41Å; F37-L67 HydrophobicContact CE1-CD2 4.28Å; F37-L67 HydrophobicContact CG-CD1 4.19Å; F37-L67 HydrophobicContact CG-CD2 3.97Å; F37-V78 HydrophobicContact CE1-CG2 4.43Å |
| 38 | K | 89.3 | Confident | 87.2 | Confident | 16 Ų | 16 | 60.8 Ų | 60.8 | 7% | 0.07 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.9 | -33.7 | 171.2 | -78.9 | -167.9 | -171.3 | 175.9 | 0 | 112.6 | V34 K35 S42 Q49 L52 L54 D63 | V34-K38 WeakPolarHBondContact O-CG 3.23Å; V34-K38 PolarHBondContact O-N 2.87Å; K35-K38 PolarHBondContact O-N 3.2Å; K38-S42 VanDerWaalsContact O-CB 3.27Å; K38-S42 WeakPolarHBondContact O-CB 3.5Å; K38-S42 PolarHBondContact O-N 2.8Å; K38-S42 PolarHBondContact O-OG 2.85Å; K38-Q49 HydrophobicContact CB-CB 4.48Å; K38-Q49 HydrophobicContact CB-CG 4.47Å; K38-Q49 WeakPolarHBondContact CD-O 3.48Å; K38-L52 HydrophobicContact CB-CD1 4.12Å; K38-L52 HydrophobicContact CD-CB 4.18Å; K38-L52 WeakPolarHBondContact CE-O 3.25Å; K38-L52 HydrophobicContact CG-CB 4.26Å; K38-L52 HydrophobicContact CG-CD1 4.36Å; K38-L52 PolarHBondContact NZ-O 2.88Å; K38-L52 WeakPolarHBondContact O-CD1 3.5Å; K38-L54 HydrophobicContact CG-CD1 3.73Å; K38-D63 WeakPolarHBondContact CD-OD1 3.41Å; K38-D63 WeakPolarHBondContact CE-OD1 3.33Å; K38-D63 IonicContact NZ-OD1 2.9Å; K38-D63 PolarHBondContact NZ-OD1 3.08Å; K38-D63 IonicContact NZ-OD2 2.69Å; K38-D63 PolarHBondContact NZ-OD2 2.99Å |
| 39 | E | 90.1 | Very high | 87 | Confident | 75 Ų | 75 | 63 Ų | 63 | 35% | 0.35 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.7 | -49.3 | 175.4 | -174.4 | 164.6 | 151 | 0 | 0 | 111.6 | K35 E36 F37 I41 S42 R43 Q49 | K35-E39 PolarHBondContact O-N 3.45Å; E36-E39 WeakPolarHBondContact O-CB 3.27Å; E36-E39 PolarHBondContact O-N 2.78Å; E36-E39 VanDerWaalsContact O-N 3.16Å; F37-E39 VanDerWaalsContact C-N 3.26Å; F37-E39 PolarHBondContact O-N 3.2Å; E39-I41 VanDerWaalsContact C-N 3.31Å; E39-I41 PolarHBondContact O-N 2.88Å; E39-S42 WeakPolarHBondContact CA-OG 3.49Å; E39-S42 WeakPolarHBondContact O-CB 3.49Å; E39-S42 PolarHBondContact O-N 2.89Å; E39-S42 VanDerWaalsContact O-N 3.08Å; E39-S42 PolarHBondContact O-OG 3Å; E39-R43 WeakPolarHBondContact O-CG 3.33Å; E39-R43 PolarHBondContact O-N 3.03Å; E39-R43 VanDerWaalsContact O-N 3.11Å; E39-R43 IonicContact OE1-CZ 2.75Å; E39-R43 IonicContact OE1-NE 2.9Å; E39-R43 PolarHBondContact OE1-NE 3.42Å; E39-R43 IonicContact OE1-NH2 3.83Å; E39-R43 PolarHBondContact OE1-NH2 3.46Å; E39-Q49 VanDerWaalsContact CB-NE2 3.32Å; E39-Q49 PolarHBondContact OE2-NE2 2.83Å |
| 40 | E | 89.1 | Confident | 86.8 | Confident | 62 Ų | 62 | 68.1 Ų | 68.1 | 29% | 0.29 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 178.9 | -170.6 | 55.7 | -156 | 0 | 0 | 111.4 | I26 E36 F37 S42 R43 R44 | I26-E40 HydrophobicContact CG2-CB 4.08Å; I26-E40 HydrophobicContact CG2-CG 3.51Å; E36-E40 PolarHBondContact O-N 3.41Å; E36-E40 VanDerWaalsContact O-N 3.15Å; F37-E40 PolarHBondContact O-N 3.4Å; E40-S42 PolarHBondContact O-N 2.8Å; E40-R43 PolarHBondContact O-N 3.05Å; E40-R44 WeakPolarHBondContact O-CG 3.35Å; E40-R44 PolarHBondContact O-N 3.22Å; E40-R44 IonicContact OE1-NE 3.55Å; E40-R44 PolarHBondContact OE1-NE 2.94Å; E40-R44 IonicContact OE1-NH2 2.72Å |
| 41 | I | 89.6 | Confident | 87 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 170.7 | -68.1 | 161.4 | 0 | 0 | 0 | 111.7 | V17 I26 F37 E39 R43 R44 F45 L52 L54 L80 | V17-I41 HydrophobicContact CG2-CD1 4.17Å; V17-I41 HydrophobicContact CG2-CG1 4.19Å; I26-I41 HydrophobicContact CD1-CB 4.23Å; I26-I41 HydrophobicContact CD1-CG1 3.42Å; I26-I41 VanDerWaalsContact CD1-CG1 3.42Å; F37-I41 HydrophobicContact CD1-CD1 3.67Å; F37-I41 HydrophobicContact CD2-CD1 4.13Å; F37-I41 HydrophobicContact CD2-CG1 4.49Å; F37-I41 HydrophobicContact CE1-CD1 3.66Å; F37-I41 HydrophobicContact CE2-CD1 4.12Å; F37-I41 HydrophobicContact CE2-CG1 4.4Å; F37-I41 HydrophobicContact CG-CD1 3.92Å; F37-I41 HydrophobicContact CZ-CD1 3.88Å; F37-I41 HydrophobicContact CZ-CG1 4.5Å; F37-I41 WeakPolarHBondContact O-CB 3.19Å; F37-I41 WeakPolarHBondContact O-CD1 3.38Å; F37-I41 WeakPolarHBondContact O-CG1 3.14Å; F37-I41 PolarHBondContact O-N 3.1Å; E39-I41 VanDerWaalsContact C-N 3.31Å; E39-I41 PolarHBondContact O-N 2.88Å; I41-R43 PolarHBondContact O-N 3.3Å; I41-R44 PolarHBondContact O-N 2.98Å; I41-F45 HydrophobicContact CG2-CD2 3.74Å; I41-F45 HydrophobicContact CG2-CE2 4.35Å; I41-F45 PolarHBondContact O-N 2.84Å; I41-L52 HydrophobicContact CB-CD1 4Å; I41-L52 HydrophobicContact CG2-CD1 3.61Å; I41-L52 HydrophobicContact CG2-CD2 4.06Å; I41-L52 HydrophobicContact CG2-CG 4.42Å; I41-L54 HydrophobicContact CD1-CD1 3.74Å; I41-L54 HydrophobicContact CD1-CD2 3.63Å; I41-L54 HydrophobicContact CD1-CG 4.21Å; I41-L80 HydrophobicContact CG2-CD1 4.4Å; I41-L80 HydrophobicContact CG2-CD2 3.43Å; I41-L80 VanDerWaalsContact CG2-CD2 3.43Å |
| 42 | S | 88.5 | Confident | 87.3 | Confident | 21 Ų | 21 | 62 Ų | 62 | 15% | 0.147 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.3 | -33.7 | -179.6 | 72 | 0 | 0 | 0 | 0 | 112.3 | K38 E39 E40 K46 A47 | K38-S42 VanDerWaalsContact O-CB 3.27Å; K38-S42 WeakPolarHBondContact O-CB 3.5Å; K38-S42 PolarHBondContact O-N 2.8Å; K38-S42 PolarHBondContact O-OG 2.85Å; E39-S42 WeakPolarHBondContact CA-OG 3.49Å; E39-S42 WeakPolarHBondContact O-CB 3.49Å; E39-S42 PolarHBondContact O-N 2.89Å; E39-S42 VanDerWaalsContact O-N 3.08Å; E39-S42 PolarHBondContact O-OG 3Å; E40-S42 PolarHBondContact O-N 2.8Å; S42-K46 VanDerWaalsContact O-CA 3.31Å; S42-K46 WeakPolarHBondContact O-CA 3.25Å; S42-K46 PolarHBondContact O-N 3.38Å; S42-A47 WeakPolarHBondContact CA-O 3.47Å; S42-A47 WeakPolarHBondContact CB-O 3.39Å |
| 43 | R | 88 | Confident | 87.5 | Confident | 159 Ų | 159 | 62.7 Ų | 62.7 | 60% | 0.6 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -70 | -40 | 175.7 | -66.7 | 166 | 178.7 | -108.7 | 2.6 | 111.8 | E39 E40 I41 | E39-R43 WeakPolarHBondContact O-CG 3.33Å; E39-R43 PolarHBondContact O-N 3.03Å; E39-R43 VanDerWaalsContact O-N 3.11Å; E39-R43 IonicContact OE1-CZ 2.75Å; E39-R43 IonicContact OE1-NE 2.9Å; E39-R43 PolarHBondContact OE1-NE 3.42Å; E39-R43 IonicContact OE1-NH2 3.83Å; E39-R43 PolarHBondContact OE1-NH2 3.46Å; E40-R43 PolarHBondContact O-N 3.05Å; I41-R43 PolarHBondContact O-N 3.3Å |
| 44 | R | 86.6 | Confident | 87.6 | Confident | 100 Ų | 100 | 61.3 Ų | 61.3 | 38% | 0.377 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -71.7 | -60.1 | 176.7 | -63.7 | -51.1 | -177.1 | 98.5 | -0.6 | 112.9 | E24 I26 E40 I41 K46 | E24-R44 VanDerWaalsContact OE2-CD 3.27Å; E24-R44 WeakPolarHBondContact OE2-CD 3.47Å; E24-R44 WeakPolarHBondContact OE2-CG 3.34Å; E24-R44 IonicContact OE2-CZ 2.85Å; E24-R44 IonicContact OE2-NE 3.62Å; E24-R44 IonicContact OE2-NH1 2.76Å; E24-R44 PolarHBondContact OE2-NH1 3.19Å; I26-R44 HydrophobicContact CD1-CG 4.08Å; I26-R44 HydrophobicContact CG1-CG 4.26Å; E40-R44 WeakPolarHBondContact O-CG 3.35Å; E40-R44 PolarHBondContact O-N 3.22Å; E40-R44 IonicContact OE1-NE 3.55Å; E40-R44 PolarHBondContact OE1-NE 2.94Å; E40-R44 IonicContact OE1-NH2 2.72Å; I41-R44 PolarHBondContact O-N 2.98Å; R44-K46 VanDerWaalsContact C-N 3.3Å; R44-K46 PolarHBondContact O-N 2.9Å |
| 45 | F | 84 | Confident | 87.7 | Confident | 34 Ų | 34 | 63.8 Ų | 63.8 | 15% | 0.149 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -82.2 | -1 | -173.5 | -69.4 | -89.6 | 0 | 0 | 0 | 114.3 | V17 T19 D22 E24 I41 A47 L80 | V17-F45 HydrophobicContact CB-CE2 4.15Å; V17-F45 HydrophobicContact CB-CZ 4.4Å; V17-F45 HydrophobicContact CG1-CE2 3.8Å; V17-F45 HydrophobicContact CG1-CZ 4.05Å; T19-F45 HydrophobicContact CG2-CD1 3.7Å; T19-F45 HydrophobicContact CG2-CE1 3.37Å; T19-F45 HydrophobicContact CG2-CZ 4.01Å; D22-F45 HydrophobicContact CB-CE1 4.14Å; E24-F45 HydrophobicContact CB-CE2 3.97Å; E24-F45 HydrophobicContact CB-CZ 3.87Å; E24-F45 HydrophobicContact CG-CE2 4.39Å; E24-F45 HydrophobicContact CG-CZ 4.15Å; I41-F45 HydrophobicContact CG2-CD2 3.74Å; I41-F45 HydrophobicContact CG2-CE2 4.35Å; I41-F45 PolarHBondContact O-N 2.84Å; F45-A47 VanDerWaalsContact C-N 3.28Å; F45-A47 PolarHBondContact O-N 3.25Å; F45-L80 HydrophobicContact CD1-CD2 4.36Å; F45-L80 HydrophobicContact CD2-CD2 3.89Å; F45-L80 HydrophobicContact CE2-CD2 4.12Å; F45-L80 HydrophobicContact CG-CD2 4.01Å; F45-L80 HydrophobicContact CZ-CD2 4.46Å |
| 46 | K | 84.9 | Confident | 87.8 | Confident | 194 Ų | 194 | 59.7 Ų | 59.7 | 84% | 0.843 | 28% | 0.276 | S | S | * | . | trans | 56.8 | 34 | 175.6 | -56.4 | 174.6 | -175.4 | 170.5 | 0 | 114.4 | S42 R44 | S42-K46 VanDerWaalsContact O-CA 3.31Å; S42-K46 WeakPolarHBondContact O-CA 3.25Å; S42-K46 PolarHBondContact O-N 3.38Å; R44-K46 VanDerWaalsContact C-N 3.3Å; R44-K46 PolarHBondContact O-N 2.9Å | ||
| 47 | A | 82.5 | Confident | 87.7 | Confident | 15 Ų | 15 | 58.8 Ų | 58.8 | 12% | 0.124 | 29% | 0.286 | C | S | . | . | trans | -125 | 147.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S42 F45 L52 I82 | S42-A47 WeakPolarHBondContact CA-O 3.47Å; S42-A47 WeakPolarHBondContact CB-O 3.39Å; F45-A47 VanDerWaalsContact C-N 3.28Å; F45-A47 PolarHBondContact O-N 3.25Å; A47-L52 HydrophobicContact CB-CD2 4.04Å; A47-I82 HydrophobicContact CB-CD1 4.11Å; A47-I82 HydrophobicContact CB-CG2 3.88Å | ||
| 48 | Q | 84.7 | Confident | 87.4 | Confident | 131 Ų | 131 | 62.4 Ų | 62.4 | 61% | 0.612 | 32% | 0.323 | S | S | * | . | trans | -66.1 | 144.3 | -175.6 | -64.6 | 179.9 | -66.1 | 0 | 0 | 112.3 | D50 Q51 L52 | Q48-D50 PolarHBondContact O-N 3.48Å; Q48-D50 VanDerWaalsContact O-N 3.12Å; Q48-Q51 HydrophobicContact CB-CG 4.27Å; Q48-Q51 WeakPolarHBondContact O-CA 3.3Å; Q48-Q51 WeakPolarHBondContact O-CB 3.26Å; Q48-Q51 PolarHBondContact O-N 3.45Å; Q48-L52 PolarHBondContact O-N 3.48Å | ||
| 49 | Q | 86 | Confident | 87.3 | Confident | 62 Ų | 62 | 68.2 Ų | 68.2 | 29% | 0.29 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -53.4 | -35.9 | -178.3 | -62.1 | 177 | 12.8 | 0 | 0 | 114 | K38 E39 Q51 L52 | K38-Q49 HydrophobicContact CB-CB 4.48Å; K38-Q49 HydrophobicContact CB-CG 4.47Å; K38-Q49 WeakPolarHBondContact CD-O 3.48Å; E39-Q49 VanDerWaalsContact CB-NE2 3.32Å; E39-Q49 PolarHBondContact OE2-NE2 2.83Å; Q49-Q51 VanDerWaalsContact C-N 3.31Å; Q49-Q51 PolarHBondContact O-N 3.01Å; Q49-L52 PolarHBondContact O-N 2.85Å |
| 50 | D | 84.1 | Confident | 87.3 | Confident | 149 Ų | 149 | 69.8 Ų | 69.8 | 80% | 0.797 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -63.6 | -34.1 | 176.3 | -172.9 | -106.3 | 0 | 0 | 0 | 113.1 | Q48 L52 | Q48-D50 PolarHBondContact O-N 3.48Å; Q48-D50 VanDerWaalsContact O-N 3.12Å; D50-L52 VanDerWaalsContact C-N 3.32Å; D50-L52 PolarHBondContact O-N 2.81Å |
| 51 | Q | 86.3 | Confident | 87.2 | Confident | 27 Ų | 27 | 67 Ų | 67 | 13% | 0.126 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -76.5 | -17.9 | 177.6 | -63 | 178.8 | 35.3 | 0 | 0 | 112.7 | Q48 Q49 V53 I82 K83 | Q48-Q51 HydrophobicContact CB-CG 4.27Å; Q48-Q51 WeakPolarHBondContact O-CA 3.3Å; Q48-Q51 WeakPolarHBondContact O-CB 3.26Å; Q48-Q51 PolarHBondContact O-N 3.45Å; Q49-Q51 VanDerWaalsContact C-N 3.31Å; Q49-Q51 PolarHBondContact O-N 3.01Å; Q51-V53 PolarHBondContact O-N 3.45Å; Q51-I82 HydrophobicContact CB-CG2 4.18Å; Q51-I82 WeakPolarHBondContact O-CA 3.44Å; Q51-K83 VanDerWaalsContact CB-O 3.23Å; Q51-K83 WeakPolarHBondContact CB-O 3.46Å; Q51-K83 VanDerWaalsContact CG-O 3.29Å; Q51-K83 WeakPolarHBondContact CG-O 3.29Å; Q51-K83 PolarHBondContact O-N 3.4Å; Q51-K83 PolarHBondContact OE1-O 2.97Å |
| 52 | L | 88.1 | Confident | 87.1 | Confident | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.005 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 114.7 | -176.1 | -55.9 | 178.1 | 0 | 0 | 0 | 111.3 | K38 I41 A47 Q48 Q49 D50 L80 I82 | K38-L52 HydrophobicContact CB-CD1 4.12Å; K38-L52 HydrophobicContact CD-CB 4.18Å; K38-L52 WeakPolarHBondContact CE-O 3.25Å; K38-L52 HydrophobicContact CG-CB 4.26Å; K38-L52 HydrophobicContact CG-CD1 4.36Å; K38-L52 PolarHBondContact NZ-O 2.88Å; K38-L52 WeakPolarHBondContact O-CD1 3.5Å; I41-L52 HydrophobicContact CB-CD1 4Å; I41-L52 HydrophobicContact CG2-CD1 3.61Å; I41-L52 HydrophobicContact CG2-CD2 4.06Å; I41-L52 HydrophobicContact CG2-CG 4.42Å; A47-L52 HydrophobicContact CB-CD2 4.04Å; Q48-L52 PolarHBondContact O-N 3.48Å; Q49-L52 PolarHBondContact O-N 2.85Å; D50-L52 VanDerWaalsContact C-N 3.32Å; D50-L52 PolarHBondContact O-N 2.81Å; L52-L80 HydrophobicContact CB-CD1 3.9Å; L52-L80 HydrophobicContact CD2-CD1 3.84Å; L52-L80 HydrophobicContact CD2-CD2 4.19Å; L52-L80 HydrophobicContact CG-CD1 4.41Å; L52-I82 HydrophobicContact CD2-CG1 4.24Å |
| 53 | V | 89.7 | Confident | 86.8 | Confident | 19 Ų | 19 | 76.4 Ų | 76.4 | 12% | 0.115 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 114.5 | 171.1 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | Q51 I55 I60 V81 K83 | Q51-V53 PolarHBondContact O-N 3.45Å; V53-I55 HydrophobicContact CG1-CG1 4.36Å; V53-I60 HydrophobicContact CG1-CD1 4.47Å; V53-I60 HydrophobicContact CG1-CG1 4.4Å; V53-I60 HydrophobicContact CG1-CG2 3.75Å; V53-V81 HydrophobicContact CB-CB 4.38Å; V53-V81 PolarHBondContact N-O 3.13Å; V53-V81 PolarHBondContact O-N 3.42Å; V53-K83 HydrophobicContact CG2-CD 3.71Å; V53-K83 HydrophobicContact CG2-CG 4Å |
| 54 | L | 90.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 136.3 | 179.7 | -72.5 | 162.4 | 0 | 0 | 0 | 110.7 | V34 F37 K38 I41 I60 L61 V78 L80 | V34-L54 HydrophobicContact CG1-CD1 4.3Å; F37-L54 HydrophobicContact CD1-CD1 3.77Å; F37-L54 HydrophobicContact CE1-CD1 4.21Å; F37-L54 HydrophobicContact CE1-CD2 4.31Å; K38-L54 HydrophobicContact CG-CD1 3.73Å; I41-L54 HydrophobicContact CD1-CD1 3.74Å; I41-L54 HydrophobicContact CD1-CD2 3.63Å; I41-L54 HydrophobicContact CD1-CG 4.21Å; L54-I60 WeakPolarHBondContact O-CA 3.28Å; L54-L61 HydrophobicContact CB-CB 4.1Å; L54-L61 HydrophobicContact CB-CD1 4.16Å; L54-L61 HydrophobicContact CB-CD2 4.02Å; L54-L61 HydrophobicContact CB-CG 4.33Å; L54-L61 HydrophobicContact CD1-CD2 4.46Å; L54-L61 WeakPolarHBondContact O-CD1 3.4Å; L54-L61 PolarHBondContact O-N 2.91Å; L54-V78 HydrophobicContact CB-CG1 4.1Å; L54-V78 HydrophobicContact CD2-CG1 3.63Å; L54-V78 HydrophobicContact CG-CG1 4.46Å; L54-L80 HydrophobicContact CD2-CB 4.24Å; L54-L80 HydrophobicContact CD2-CD1 4.09Å; L54-L80 HydrophobicContact CG-CD1 4.42Å |
| 55 | I | 92 | Very high | 86.3 | Confident | 52 Ų | 52 | 69.8 Ų | 69.8 | 27% | 0.267 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 119.7 | -174.7 | -51.4 | 179 | 0 | 0 | 0 | 109.4 | V53 K59 I60 H79 V81 | V53-I55 HydrophobicContact CG1-CG1 4.36Å; I55-K59 WeakPolarHBondContact CA-O 3.5Å; I55-I60 HydrophobicContact CG1-CG1 4.34Å; I55-H79 HydrophobicContact CB-CB 4.38Å; I55-H79 PolarHBondContact N-O 3.33Å; I55-H79 PolarHBondContact O-N 3Å; I55-V81 HydrophobicContact CD1-CG2 3.85Å |
| 56 | F | 90.6 | Very high | 86.4 | Confident | 34 Ų | 34 | 69.9 Ų | 69.9 | 15% | 0.149 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 137.8 | 176.6 | -174.6 | -108.3 | 0 | 0 | 0 | 110.3 | G58 K59 L61 H70 I72 L76 T77 V78 | F56-G58 PolarHBondContact O-N 2.96Å; F56-K59 PolarHBondContact N-O 2.94Å; F56-K59 PolarHBondContact O-N 2.98Å; F56-L61 HydrophobicContact CB-CD1 3.69Å; F56-H70 VanDerWaalsContact CD1-O 3.3Å; F56-H70 WeakPolarHBondContact CD1-O 3.37Å; F56-H70 WeakPolarHBondContact CE1-O 3.34Å; F56-I72 HydrophobicContact CB-CD1 4.25Å; F56-I72 HydrophobicContact CB-CG1 4.4Å; F56-I72 HydrophobicContact CD1-CD1 4.31Å; F56-I72 HydrophobicContact CD1-CG1 3.62Å; F56-I72 HydrophobicContact CD2-CG1 4.28Å; F56-I72 HydrophobicContact CE1-CG1 3.94Å; F56-I72 HydrophobicContact CG-CD1 4.21Å; F56-I72 HydrophobicContact CG-CG1 3.82Å; F56-I72 HydrophobicContact CZ-CG1 4.42Å; F56-L76 HydrophobicContact CE2-CB 4.2Å; F56-L76 HydrophobicContact CE2-CD1 4.46Å; F56-L76 HydrophobicContact CZ-CB 4.41Å; F56-L76 HydrophobicContact CZ-CD1 3.85Å; F56-T77 WeakPolarHBondContact CD2-O 3.28Å; F56-V78 HydrophobicContact CB-CG1 4.42Å; F56-V78 HydrophobicContact CB-CG2 4.31Å; F56-V78 HydrophobicContact CD2-CG2 3.97Å; F56-V78 HydrophobicContact CG-CG2 4.37Å |
| 57 | A | 86.1 | Confident | 86.4 | Confident | 84 Ų | 84 | 60.6 Ų | 60.6 | 69% | 0.694 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 36.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | K59 | A57-K59 PolarHBondContact O-N 3.34Š|
| 58 | G | 84.3 | Confident | 86.4 | Confident | 76 Ų | 76 | 61.8 Ų | 61.8 | 78% | 0.784 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | -2.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | F56 | F56-G58 PolarHBondContact O-N 2.96Š|
| 59 | K | 87.7 | Confident | 86.4 | Confident | 138 Ų | 138 | 62.2 Ų | 62.2 | 60% | 0.6 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 143.9 | 178.4 | -62.9 | 178.2 | -178.4 | 176.4 | 0 | 111.1 | I55 F56 A57 | I55-K59 WeakPolarHBondContact CA-O 3.5Å; F56-K59 PolarHBondContact N-O 2.94Å; F56-K59 PolarHBondContact O-N 2.98Å; A57-K59 PolarHBondContact O-N 3.34Å |
| 60 | I | 90.6 | Very high | 86.2 | Confident | 107 Ų | 107 | 61.2 Ų | 61.2 | 55% | 0.549 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 124.9 | 169.2 | -61.2 | 170.9 | 0 | 0 | 0 | 108.4 | V53 L54 I55 | V53-I60 HydrophobicContact CG1-CD1 4.47Å; V53-I60 HydrophobicContact CG1-CG1 4.4Å; V53-I60 HydrophobicContact CG1-CG2 3.75Å; L54-I60 WeakPolarHBondContact O-CA 3.28Å; I55-I60 HydrophobicContact CG1-CG1 4.34Å |
| 61 | L | 87.2 | Confident | 86.1 | Confident | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 138.4 | 176.6 | -70.3 | 65 | 0 | 0 | 0 | 109.7 | V34 L54 F56 L67 I72 | V34-L61 HydrophobicContact CG1-CB 3.81Å; V34-L61 HydrophobicContact CG1-CD2 4.37Å; V34-L61 HydrophobicContact CG2-CB 3.93Å; V34-L61 HydrophobicContact CG2-CD2 3.89Å; V34-L61 HydrophobicContact CG2-CG 4.29Å; L54-L61 HydrophobicContact CB-CB 4.1Å; L54-L61 HydrophobicContact CB-CD1 4.16Å; L54-L61 HydrophobicContact CB-CD2 4.02Å; L54-L61 HydrophobicContact CB-CG 4.33Å; L54-L61 HydrophobicContact CD1-CD2 4.46Å; L54-L61 WeakPolarHBondContact O-CD1 3.4Å; L54-L61 PolarHBondContact O-N 2.91Å; F56-L61 HydrophobicContact CB-CD1 3.69Å; L61-L67 HydrophobicContact CD2-CD2 4.38Å; L61-I72 HydrophobicContact CD2-CD1 3.55Å; L61-I72 HydrophobicContact CG-CD1 4.38Å |
| 62 | K | 86.1 | Confident | 86.1 | Confident | 147 Ų | 147 | 54.3 Ų | 54.3 | 64% | 0.639 | 33% | 0.328 | S | S | * | . | trans | -108.4 | 150.7 | 175.2 | -60 | 177.2 | -179 | 176.8 | 0 | 110.7 | V34 G64 D65 | V34-K62 VanDerWaalsContact CB-O 3.26Å; V34-K62 WeakPolarHBondContact CB-O 3.32Å; V34-K62 WeakPolarHBondContact CG2-O 3.4Å; K62-G64 PolarHBondContact O-N 2.81Å; K62-G64 VanDerWaalsContact O-N 3.08Å; K62-D65 WeakPolarHBondContact CB-OD2 3.5Å; K62-D65 PolarHBondContact N-OD2 3.31Å; K62-D65 WeakPolarHBondContact O-CB 3.42Å; K62-D65 PolarHBondContact O-N 3.44Å | ||
| 63 | D | 82.1 | Confident | 85.9 | Confident | 70 Ų | 70 | 60.9 Ų | 60.9 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -16.6 | -171.1 | -62.9 | -49.8 | 0 | 0 | 0 | 115.3 | K35 K38 | K35-D63 HydrophobicContact CB-CB 4.24Å; K38-D63 WeakPolarHBondContact CD-OD1 3.41Å; K38-D63 WeakPolarHBondContact CE-OD1 3.33Å; K38-D63 IonicContact NZ-OD1 2.9Å; K38-D63 PolarHBondContact NZ-OD1 3.08Å; K38-D63 IonicContact NZ-OD2 2.69Å; K38-D63 PolarHBondContact NZ-OD2 2.99Å |
| 64 | G | 80.9 | Confident | 85.9 | Confident | 77 Ų | 77 | 63.4 Ų | 63.4 | 79% | 0.794 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -6.5 | 174 | 0 | 0 | 0 | 0 | 0 | 115.1 | K62 | K62-G64 PolarHBondContact O-N 2.81Å; K62-G64 VanDerWaalsContact O-N 3.08Å |
| 65 | D | 83.4 | Confident | 85.8 | Confident | 44 Ų | 44 | 66 Ų | 66 | 24% | 0.235 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -88.5 | 160.8 | 177.3 | -54.6 | -42.7 | 0 | 0 | 0 | 111 | S33 V34 K62 H70 | S33-D65 WeakPolarHBondContact CA-O 3.48Å; V34-D65 HydrophobicContact CG2-CB 4.21Å; V34-D65 WeakPolarHBondContact CG2-O 3.31Å; V34-D65 PolarHBondContact N-O 2.88Å; K62-D65 WeakPolarHBondContact CB-OD2 3.5Å; K62-D65 PolarHBondContact N-OD2 3.31Å; K62-D65 WeakPolarHBondContact O-CB 3.42Å; K62-D65 PolarHBondContact O-N 3.44Å; D65-H70 WeakPolarHBondContact CB-NE2 3.22Å; D65-H70 VanDerWaalsContact CG-NE2 3.29Å; D65-H70 IonicContact OD2-CD2 3.53Å; D65-H70 IonicContact OD2-CE1 3.65Å; D65-H70 IonicContact OD2-NE2 3.3Å; D65-H70 PolarHBondContact OD2-NE2 3.38Å |
| 66 | T | 87.1 | Confident | 85.8 | Confident | 35 Ų | 35 | 66.6 Ų | 66.6 | 22% | 0.215 | 40% | 0.4 | C | S | . | . | B | Isolated β-bridge | trans | -100.1 | 155.8 | 169.2 | 54.5 | 0 | 0 | 0 | 0 | 111.5 | A32 S68 Q69 | A32-T66 WeakPolarHBondContact O-CA 3.22Å; T66-S68 VanDerWaalsContact C-N 3.33Å; T66-S68 PolarHBondContact O-N 3.35Å; T66-Q69 PolarHBondContact O-N 3.37Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.29Å; T66-Q69 PolarHBondContact OG1-NE2 2.78Å |
| 67 | L | 84.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -43.5 | -179 | -63.6 | 176.9 | 0 | 0 | 0 | 112 | I13 I28 A32 V34 F37 L61 Q69 H70 G71 I72 | I13-L67 HydrophobicContact CD1-CD1 4.39Å; I28-L67 HydrophobicContact CD1-CD1 4.43Å; I28-L67 HydrophobicContact CG2-CD1 3.56Å; A32-L67 HydrophobicContact CB-CD1 4.47Å; A32-L67 PolarHBondContact O-N 3.01Å; A32-L67 VanDerWaalsContact O-N 3.14Å; V34-L67 HydrophobicContact CG2-CD2 4.37Å; F37-L67 HydrophobicContact CB-CD1 4.26Å; F37-L67 HydrophobicContact CB-CD2 4.07Å; F37-L67 HydrophobicContact CD1-CD2 3.64Å; F37-L67 HydrophobicContact CD2-CD1 4.41Å; F37-L67 HydrophobicContact CE1-CD2 4.28Å; F37-L67 HydrophobicContact CG-CD1 4.19Å; F37-L67 HydrophobicContact CG-CD2 3.97Å; L61-L67 HydrophobicContact CD2-CD2 4.38Å; L67-Q69 VanDerWaalsContact C-N 3.29Å; L67-Q69 PolarHBondContact O-N 2.74Å; L67-H70 PolarHBondContact O-N 2.86Å; L67-G71 PolarHBondContact O-N 2.84Å; L67-I72 HydrophobicContact CB-CB 4.21Å; L67-I72 HydrophobicContact CB-CG2 4.47Å; L67-I72 HydrophobicContact CD2-CD1 3.92Å; L67-I72 WeakPolarHBondContact O-CB 3.37Å; L67-I72 PolarHBondContact O-N 3.39Å; L67-I72 VanDerWaalsContact O-N 3.09Å |
| 68 | S | 82.7 | Confident | 86.1 | Confident | 39 Ų | 39 | 63.5 Ų | 63.5 | 27% | 0.273 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -61.4 | -32.7 | 178.1 | -27.1 | 0 | 0 | 0 | 0 | 113.2 | D30 Q31 T66 H70 G71 | D30-S68 VanDerWaalsContact CG-OG 3.24Å; D30-S68 PolarHBondContact O-OG 2.8Å; D30-S68 WeakPolarHBondContact OD1-CB 3.43Å; D30-S68 PolarHBondContact OD1-OG 3.34Å; D30-S68 PolarHBondContact OD2-OG 3.43Å; Q31-S68 PolarHBondContact NE2-OG 3.23Å; T66-S68 VanDerWaalsContact C-N 3.33Å; T66-S68 PolarHBondContact O-N 3.35Å; S68-H70 VanDerWaalsContact C-N 3.35Å; S68-H70 PolarHBondContact O-N 3.19Å; S68-G71 PolarHBondContact O-N 2.89Å |
| 69 | Q | 84.6 | Confident | 86.5 | Confident | 141 Ų | 141 | 64.2 Ų | 64.2 | 66% | 0.659 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -67.3 | -33.1 | 178.1 | -83.6 | -178 | 93 | 0 | 0 | 112.9 | T66 L67 G71 | T66-Q69 PolarHBondContact O-N 3.37Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.29Å; T66-Q69 PolarHBondContact OG1-NE2 2.78Å; L67-Q69 VanDerWaalsContact C-N 3.29Å; L67-Q69 PolarHBondContact O-N 2.74Å; Q69-G71 PolarHBondContact O-N 2.82Å |
| 70 | H | 80.5 | Confident | 86.7 | Confident | 40 Ų | 40 | 57.8 Ų | 57.8 | 19% | 0.185 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -82 | 2.8 | 171.7 | -75.6 | -79.5 | 0 | 0 | 0 | 113.1 | F56 D65 L67 S68 I72 | F56-H70 VanDerWaalsContact CD1-O 3.3Å; F56-H70 WeakPolarHBondContact CD1-O 3.37Å; F56-H70 WeakPolarHBondContact CE1-O 3.34Å; D65-H70 WeakPolarHBondContact CB-NE2 3.22Å; D65-H70 VanDerWaalsContact CG-NE2 3.29Å; D65-H70 IonicContact OD2-CD2 3.53Å; D65-H70 IonicContact OD2-CE1 3.65Å; D65-H70 IonicContact OD2-NE2 3.3Å; D65-H70 PolarHBondContact OD2-NE2 3.38Å; L67-H70 PolarHBondContact O-N 2.86Å; S68-H70 VanDerWaalsContact C-N 3.35Å; S68-H70 PolarHBondContact O-N 3.19Å; H70-I72 HydrophobicContact CB-CD1 4.18Å; H70-I72 HydrophobicContact CB-CG1 4.36Å |
| 71 | G | 82.9 | Confident | 86.7 | Confident | 32 Ų | 32 | 55.9 Ų | 55.9 | 33% | 0.33 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 17.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L67 S68 Q69 L76 | L67-G71 PolarHBondContact O-N 2.84Å; S68-G71 PolarHBondContact O-N 2.89Å; Q69-G71 PolarHBondContact O-N 2.82Å; G71-L76 WeakPolarHBondContact O-CD1 3.38Å |
| 72 | I | 85.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | -76.5 | 135.8 | 178.2 | -60.7 | 165.3 | 0 | 0 | 0 | 109 | I13 V15 F56 L61 L67 H70 V78 | I13-I72 HydrophobicContact CD1-CG2 4.34Å; V15-I72 HydrophobicContact CG1-CG2 3.97Å; V15-I72 HydrophobicContact CG2-CG2 3.71Å; F56-I72 HydrophobicContact CB-CD1 4.25Å; F56-I72 HydrophobicContact CB-CG1 4.4Å; F56-I72 HydrophobicContact CD1-CD1 4.31Å; F56-I72 HydrophobicContact CD1-CG1 3.62Å; F56-I72 HydrophobicContact CD2-CG1 4.28Å; F56-I72 HydrophobicContact CE1-CG1 3.94Å; F56-I72 HydrophobicContact CG-CD1 4.21Å; F56-I72 HydrophobicContact CG-CG1 3.82Å; F56-I72 HydrophobicContact CZ-CG1 4.42Å; L61-I72 HydrophobicContact CD2-CD1 3.55Å; L61-I72 HydrophobicContact CG-CD1 4.38Å; L67-I72 HydrophobicContact CB-CB 4.21Å; L67-I72 HydrophobicContact CB-CG2 4.47Å; L67-I72 HydrophobicContact CD2-CD1 3.92Å; L67-I72 WeakPolarHBondContact O-CB 3.37Å; L67-I72 PolarHBondContact O-N 3.39Å; L67-I72 VanDerWaalsContact O-N 3.09Å; H70-I72 HydrophobicContact CB-CD1 4.18Å; H70-I72 HydrophobicContact CB-CG1 4.36Å; I72-V78 HydrophobicContact CD1-CG2 3.88Å; I72-V78 HydrophobicContact CG1-CG2 4.25Å; I72-V78 HydrophobicContact CG2-CG2 4.41Å | ||
| 73 | K | 84.8 | Confident | 86.6 | Confident | 139 Ų | 139 | 58.3 Ų | 58.3 | 60% | 0.604 | 34% | 0.336 | S | S | * | . | trans | -146.7 | 170.9 | -173.6 | -62.1 | -173.8 | 179.4 | -175.9 | 0 | 109.7 | G75 L76 | K73-G75 PolarHBondContact O-N 3.31Å; K73-L76 HydrophobicContact CB-CD1 3.91Å; K73-L76 HydrophobicContact CB-CG 4.33Å; K73-L76 HydrophobicContact CG-CD1 4.38Å; K73-L76 WeakPolarHBondContact O-CB 3.45Å; K73-L76 PolarHBondContact O-N 3.45Å; K73-L76 VanDerWaalsContact O-N 3.13Å | ||
| 74 | D | 89.4 | Confident | 86.3 | Confident | 72 Ų | 72 | 60.9 Ų | 60.9 | 39% | 0.385 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 133.4 | 173.7 | -165.9 | 60.9 | 0 | 0 | 0 | 111.6 | I13 R14 L76 | I13-D74 HydrophobicContact CB-CB 4.2Å; I13-D74 HydrophobicContact CG2-CB 4.11Å; R14-D74 VanDerWaalsContact CB-OD1 3.29Å; R14-D74 WeakPolarHBondContact CB-OD1 3.44Å; R14-D74 IonicContact CZ-OD1 2.7Å; R14-D74 IonicContact CZ-OD2 3.82Å; R14-D74 PolarHBondContact N-OD1 2.75Å; R14-D74 IonicContact NE-OD1 3.55Å; R14-D74 PolarHBondContact NE-OD1 3.2Å; R14-D74 IonicContact NE-OD2 3.63Å; R14-D74 IonicContact NH2-OD1 3.83Å; R14-D74 IonicContact NH2-OD2 2.81Å; R14-D74 PolarHBondContact NH2-OD2 3.43Å; D74-L76 VanDerWaalsContact C-N 3.3Å; D74-L76 PolarHBondContact O-N 2.95Å |
| 75 | G | 87.8 | Confident | 85.4 | Confident | 55 Ų | 55 | 61.5 Ų | 61.5 | 57% | 0.567 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | -7.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | R14 K73 | R14-G75 PolarHBondContact O-N 3.29Å; K73-G75 PolarHBondContact O-N 3.31Å |
| 76 | L | 92 | Very high | 83.5 | Confident | 63 Ų | 63 | 68.2 Ų | 68.2 | 33% | 0.33 | 38% | 0.375 | S | S | . | . | trans | -78.2 | 155.1 | 179.9 | -63.1 | -176.5 | 0 | 0 | 0 | 112.8 | T16 F56 G71 K73 D74 | T16-L76 PolarHBondContact N-O 2.87Å; F56-L76 HydrophobicContact CE2-CB 4.2Å; F56-L76 HydrophobicContact CE2-CD1 4.46Å; F56-L76 HydrophobicContact CZ-CB 4.41Å; F56-L76 HydrophobicContact CZ-CD1 3.85Å; G71-L76 WeakPolarHBondContact O-CD1 3.38Å; K73-L76 HydrophobicContact CB-CD1 3.91Å; K73-L76 HydrophobicContact CB-CG 4.33Å; K73-L76 HydrophobicContact CG-CD1 4.38Å; K73-L76 WeakPolarHBondContact O-CB 3.45Å; K73-L76 PolarHBondContact O-N 3.45Å; K73-L76 VanDerWaalsContact O-N 3.13Å; D74-L76 VanDerWaalsContact C-N 3.3Å; D74-L76 PolarHBondContact O-N 2.95Å | ||
| 77 | T | 91.5 | Very high | 81.2 | Confident | 54 Ų | 54 | 75 Ų | 75 | 33% | 0.331 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 122.5 | -175.8 | -68.4 | 0 | 0 | 0 | 0 | 111.4 | T16 K18 F56 | T16-T77 HydrophobicContact CG2-CG2 3.94Å; T16-T77 WeakPolarHBondContact CG2-OG1 3.43Å; T16-T77 CarbonylContact O-C 3.38Å; T16-T77 WeakPolarHBondContact O-CA 3.4Å; K18-T77 HydrophobicContact CB-CG2 4.43Å; K18-T77 HydrophobicContact CD-CG2 3.62Å; K18-T77 HydrophobicContact CG-CG2 3.89Å; F56-T77 WeakPolarHBondContact CD2-O 3.28Å |
| 78 | V | 92.5 | Very high | 79.2 | Confident | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 138.3 | 174.1 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | V15 T16 V17 K18 F37 L54 F56 I72 | V15-V78 HydrophobicContact CG1-CB 4.33Å; V15-V78 HydrophobicContact CG1-CG2 3.59Å; T16-V78 PolarHBondContact O-N 3.46Å; V17-V78 WeakPolarHBondContact CA-O 3.2Å; K18-V78 PolarHBondContact N-O 3.41Å; F37-V78 HydrophobicContact CE1-CG2 4.43Å; L54-V78 HydrophobicContact CB-CG1 4.1Å; L54-V78 HydrophobicContact CD2-CG1 3.63Å; L54-V78 HydrophobicContact CG-CG1 4.46Å; F56-V78 HydrophobicContact CB-CG1 4.42Å; F56-V78 HydrophobicContact CB-CG2 4.31Å; F56-V78 HydrophobicContact CD2-CG2 3.97Å; F56-V78 HydrophobicContact CG-CG2 4.37Å; I72-V78 HydrophobicContact CD1-CG2 3.88Å; I72-V78 HydrophobicContact CG1-CG2 4.25Å; I72-V78 HydrophobicContact CG2-CG2 4.41Å |
| 79 | H | 92.3 | Very high | 77.1 | Confident | 91 Ų | 91 | 86.1 Ų | 86.1 | 42% | 0.421 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 137.9 | 174.2 | -70 | 86.9 | 0 | 0 | 0 | 110.4 | K18 I55 | K18-H79 CarbonylContact O-C 3.41Å; K18-H79 WeakPolarHBondContact O-CA 3.26Å; I55-H79 HydrophobicContact CB-CB 4.38Å; I55-H79 PolarHBondContact N-O 3.33Å; I55-H79 PolarHBondContact O-N 3Å |
| 80 | L | 91.1 | Very high | 75 | Confident | 2 Ų | 2 | 85 Ų | 85 | 1% | 0.01 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 124.3 | 180 | 171.2 | 63.3 | 0 | 0 | 0 | 110.2 | V17 K18 T19 I41 F45 L52 L54 I82 | V17-L80 HydrophobicContact CG1-CB 3.64Å; V17-L80 HydrophobicContact CG1-CD2 3.9Å; V17-L80 HydrophobicContact CG1-CG 4.42Å; K18-L80 PolarHBondContact O-N 3.5Å; T19-L80 HydrophobicContact CG2-CB 3.9Å; T19-L80 HydrophobicContact CG2-CD2 3.66Å; T19-L80 HydrophobicContact CG2-CG 3.86Å; I41-L80 HydrophobicContact CG2-CD1 4.4Å; I41-L80 HydrophobicContact CG2-CD2 3.43Å; I41-L80 VanDerWaalsContact CG2-CD2 3.43Å; F45-L80 HydrophobicContact CD1-CD2 4.36Å; F45-L80 HydrophobicContact CD2-CD2 3.89Å; F45-L80 HydrophobicContact CE2-CD2 4.12Å; F45-L80 HydrophobicContact CG-CD2 4.01Å; F45-L80 HydrophobicContact CZ-CD2 4.46Å; L52-L80 HydrophobicContact CB-CD1 3.9Å; L52-L80 HydrophobicContact CD2-CD1 3.84Å; L52-L80 HydrophobicContact CD2-CD2 4.19Å; L52-L80 HydrophobicContact CG-CD1 4.41Å; L54-L80 HydrophobicContact CD2-CB 4.24Å; L54-L80 HydrophobicContact CD2-CD1 4.09Å; L54-L80 HydrophobicContact CG-CD1 4.42Å; L80-I82 HydrophobicContact CD2-CG1 4.45Å; L80-I82 HydrophobicContact CG-CG1 4.28Å |
| 81 | V | 90.5 | Very high | 73.2 | Confident | 67 Ų | 67 | 89.5 Ų | 89.5 | 41% | 0.406 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 123.9 | 170.3 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | V53 I55 | V53-V81 HydrophobicContact CB-CB 4.38Å; V53-V81 PolarHBondContact N-O 3.13Å; V53-V81 PolarHBondContact O-N 3.42Å; I55-V81 HydrophobicContact CD1-CG2 3.85Å |
| 82 | I | 87 | Confident | 71.3 | Confident | 72 Ų | 72 | 93.7 Ų | 93.7 | 37% | 0.369 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 110.6 | 175.3 | -53.4 | 176.4 | 0 | 0 | 0 | 107.6 | A47 Q51 L52 L80 | A47-I82 HydrophobicContact CB-CD1 4.11Å; A47-I82 HydrophobicContact CB-CG2 3.88Å; Q51-I82 HydrophobicContact CB-CG2 4.18Å; Q51-I82 WeakPolarHBondContact O-CA 3.44Å; L52-I82 HydrophobicContact CD2-CG1 4.24Å; L80-I82 HydrophobicContact CD2-CG1 4.45Å; L80-I82 HydrophobicContact CG-CG1 4.28Å |
| 83 | K | 85.5 | Confident | 69.1 | Low | 131 Ų | 131 | 100.1 Ų | 100.1 | 57% | 0.57 | 55% | 0.554 | S | S | * | * | trans | -73.3 | 125.6 | 171.3 | -75.2 | 176.5 | 167.6 | 173.3 | 0 | 109.1 | Q51 V53 | Q51-K83 VanDerWaalsContact CB-O 3.23Å; Q51-K83 WeakPolarHBondContact CB-O 3.46Å; Q51-K83 VanDerWaalsContact CG-O 3.29Å; Q51-K83 WeakPolarHBondContact CG-O 3.29Å; Q51-K83 PolarHBondContact O-N 3.4Å; Q51-K83 PolarHBondContact OE1-O 2.97Å; V53-K83 HydrophobicContact CG2-CD 3.71Å; V53-K83 HydrophobicContact CG2-CG 4Å | ||
| 84 | T | 75.7 | Confident | 67.2 | Low | 124 Ų | 124 | 98 Ų | 98 | 76% | 0.761 | 56% | 0.562 | S | S | * | * | trans | -61.7 | 141.2 | 166.5 | 42 | 0 | 0 | 0 | 0 | 109.6 | Q86 | T84-Q86 PolarHBondContact O-N 3.12Š| ||
| 85 | P | 62.6 | Low | 64.9 | Low | 91 Ų | 91 | 99.7 Ų | 99.7 | 59% | 0.591 | 59% | 0.586 | S | S | * | * | trans | -71.3 | 98.4 | 177 | 29.3 | -32.1 | 0 | 0 | 0 | 108.1 | K87 | P85-K87 PolarHBondContact O-N 3.35Š| ||
| 86 | Q | 43.6 | Very low | 62.9 | Low | 185 Ų | 185 | 102 Ų | 102 | 86% | 0.864 | 60% | 0.599 | S | S | * | * | trans | -60.3 | 110.6 | 171.5 | -176.5 | 171.1 | -6 | 0 | 0 | 107.1 | T84 A88 | T84-Q86 PolarHBondContact O-N 3.12Å; Q86-A88 PolarHBondContact O-N 2.85Å | ||
| 87 | K | 37.9 | Very low | 60.7 | Low | 178 Ų | 178 | 104.4 Ų | 104.4 | 77% | 0.774 | 62% | 0.622 | S | S | * | * | trans | -52.1 | 105.6 | -173 | 175.2 | -174.5 | -85.6 | -160 | 0 | 109.3 | P85 Q89 | P85-K87 PolarHBondContact O-N 3.35Å; K87-Q89 PolarHBondContact O-N 3.08Å | ||
| 88 | A | 42.5 | Very low | 58.8 | Low | 87 Ų | 87 | 107.7 Ų | 107.7 | 72% | 0.719 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 120.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | Q86 D90 | Q86-A88 PolarHBondContact O-N 2.85Å; A88-D90 PolarHBondContact O-N 2.74Å |
| 89 | Q | 38.1 | Very low | 56.5 | Low | 184 Ų | 184 | 113.5 Ų | 113.5 | 86% | 0.86 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 124.1 | 171.4 | -71.6 | 175.9 | -82.7 | 0 | 0 | 107.6 | K87 | K87-Q89 PolarHBondContact O-N 3.08Š|
| 90 | D | 40.8 | Very low | 53.8 | Low | 117 Ų | 117 | 114 Ų | 114 | 63% | 0.626 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 140.5 | 177.5 | -56.2 | -104.2 | 0 | 0 | 0 | 111.1 | A88 V92 | A88-D90 PolarHBondContact O-N 2.74Å; D90-V92 HydrophobicContact CB-CG1 4.04Å; D90-V92 PolarHBondContact O-N 3.46Å |
| 91 | P | 43.6 | Very low | 51.8 | Low | 135 Ų | 135 | 120.3 Ų | 120.3 | 88% | 0.877 | 73% | 0.734 | S | S | * | * | trans | -71.8 | 69.3 | 165.1 | 31.9 | -34.3 | 0 | 0 | 0 | 109.7 | T93 | P91-T93 PolarHBondContact O-N 3.17Å; P91-T93 VanDerWaalsContact O-N 3.16Å | ||
| 92 | V | 42 | Very low | 49.6 | Very low | 121 Ų | 121 | 122.8 Ų | 122.8 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | -70.9 | 104.5 | 173.9 | -82.1 | 0 | 0 | 0 | 0 | 110.3 | D90 | D90-V92 HydrophobicContact CB-CG1 4.04Å; D90-V92 PolarHBondContact O-N 3.46Å | ||
| 93 | T | 39.8 | Very low | 47.2 | Very low | 135 Ų | 135 | 127 Ų | 127 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | trans | 170.8 | 154.7 | 130.2 | -71.2 | 0 | 0 | 0 | 0 | 110.4 | P91 | P91-T93 PolarHBondContact O-N 3.17Å; P91-T93 VanDerWaalsContact O-N 3.16Å | ||
| 94 | A | 44.2 | Very low | 45 | Very low | 95 Ų | 95 | 125.7 Ų | 125.7 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 72.9 | 84.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 95 | A | 42.9 | Very low | 43.5 | Very low | 107 Ų | 107 | 124 Ų | 124 | 88% | 0.884 | 78% | 0.781 | S | S | * | * | trans | -33.6 | 134.3 | 160 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 96 | A | 44 | Very low | 42.5 | Very low | 102 Ų | 102 | 125.1 Ų | 125.1 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -156.9 | 134.9 | 139.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 97 | S | 47.2 | Very low | 42.7 | Very low | 115 Ų | 115 | 121 Ų | 121 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -89.7 | -179.5 | 168.8 | -36.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 98 | P | 50.7 | Low | 43.1 | Very low | 123 Ų | 123 | 118.1 Ų | 118.1 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | cis | -130.9 | -131.1 | 3 | 35.2 | -9.2 | 0 | 0 | 0 | 112.6 | ||||
| 99 | P | 44.7 | Very low | 43.1 | Very low | 121 Ų | 121 | 118.6 Ų | 118.6 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | -126.6 | -177.4 | -123.1 | 39.4 | -17.9 | 0 | 0 | 0 | 115.8 | |||||
| 100 | S | 36.3 | Very low | 43.2 | Very low | 101 Ų | 101 | 116.1 Ų | 116.1 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | -83.4 | 158 | 176.4 | -50.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 101 | T | 48.4 | Very low | 43.4 | Very low | 135 Ų | 135 | 116.8 Ų | 116.8 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | trans | 78.5 | 160.1 | 162.5 | 82.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 102 | P | 44 | Very low | 43.5 | Very low | 119 Ų | 119 | 116.2 Ų | 116.2 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | -141 | 157.8 | -85.2 | 36.5 | -17.3 | 0 | 0 | 0 | 115.7 | |||||
| 103 | D | 36 | Very low | 43.5 | Very low | 160 Ų | 160 | 115.5 Ų | 115.5 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | -155 | 167.2 | 148.4 | -156.8 | -168.3 | 0 | 0 | 0 | 112.8 | ||||
| 104 | S | 39.6 | Very low | 43.8 | Very low | 105 Ų | 105 | 114.6 Ų | 114.6 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -91.9 | 141.7 | 177.4 | -56.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 105 | A | 43.8 | Very low | 44.2 | Very low | 89 Ų | 89 | 115.7 Ų | 115.7 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | 165 | 156.9 | 124.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 106 | S | 42.2 | Very low | 44.2 | Very low | 113 Ų | 113 | 115.3 Ų | 115.3 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | 55.4 | 97.3 | 147.9 | -60.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 107 | A | 48.1 | Very low | 44.1 | Very low | 98 Ų | 98 | 114.6 Ų | 114.6 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | 54.8 | 148.4 | 109.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 108 | P | 47.1 | Very low | 44.2 | Very low | 118 Ų | 118 | 113.4 Ų | 113.4 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | trans | -103 | 172.4 | -162.3 | 40.9 | -36.9 | 0 | 0 | 0 | 115 | ||||
| 109 | S | 40.9 | Very low | 44.1 | Very low | 98 Ų | 98 | 113.1 Ų | 113.1 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | 154.7 | 150.7 | 127.2 | -70 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 110 | T | 41.7 | Very low | 44.1 | Very low | 131 Ų | 131 | 113.4 Ų | 113.4 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 62.3 | 152.9 | 157.3 | 55.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 111 | T | 44.5 | Very low | 44.6 | Very low | 131 Ų | 131 | 117 Ų | 117 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | cis | -160.1 | 167.6 | -18 | 18.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 112 | P | 46.1 | Very low | 44.2 | Very low | 124 Ų | 124 | 116.1 Ų | 116.1 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | trans | -104.8 | 162.4 | -164.7 | 39.5 | -36.3 | 0 | 0 | 0 | 117.4 | ||||
| 113 | A | 41.6 | Very low | 43.4 | Very low | 106 Ų | 106 | 115.8 Ų | 115.8 | 88% | 0.876 | 78% | 0.78 | S | S | * | * | trans | -159.9 | 142.2 | 157 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 114 | S | 46.4 | Very low | 43.3 | Very low | 116 Ų | 116 | 113.2 Ų | 113.2 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | -62.1 | -173.9 | 174.9 | -65.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 115 | P | 52.5 | Low | 43.1 | Very low | 118 Ų | 118 | 114.1 Ų | 114.1 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | cis | -142.5 | -173.1 | -31.3 | 33.7 | -12.8 | 0 | 0 | 0 | 116.4 | ||||
| 116 | A | 42.6 | Very low | 42.6 | Very low | 98 Ų | 98 | 113.2 Ų | 113.2 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | 73.4 | 150.6 | 153.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 117 | A | 41.4 | Very low | 42.3 | Very low | 88 Ų | 88 | 114.8 Ų | 114.8 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | cis | -148.3 | 139.8 | -8.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 118 | A | 49.8 | Very low | 41.5 | Very low | 90 Ų | 90 | 115.2 Ų | 115.2 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | 67 | 157.4 | 71.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 119 | P | 49 | Very low | 40.9 | Very low | 117 Ų | 117 | 115.8 Ų | 115.8 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | cis | -89.9 | -150.1 | -14.4 | 39.9 | -34.6 | 0 | 0 | 0 | 110.4 | ||||
| 120 | V | 45 | Very low | 40.8 | Very low | 126 Ų | 126 | 116.7 Ų | 116.7 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | cis | -150 | 167 | 1.6 | -106.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 121 | Q | 46.6 | Very low | 40.4 | Very low | 178 Ų | 178 | 117.7 Ų | 117.7 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | cis | -135.8 | -149.1 | -0.9 | -137.6 | -169.3 | -7.6 | 0 | 0 | 109.5 | ||||
| 122 | P | 39.2 | Very low | 40.1 | Very low | 115 Ų | 115 | 115.6 Ų | 115.6 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | trans | -119.9 | 169.8 | -145.7 | 43.7 | -27.3 | 0 | 0 | 0 | 118.2 | ||||
| 123 | C | 27.1 | Very low | 39.7 | Very low | 113 Ų | 113 | 113 Ų | 113 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | -144.3 | 164.3 | 171 | 56 | 0 | 0 | 0 | 0 | 111 | ||||
| 124 | S | 34.5 | Very low | 39.5 | Very low | 106 Ų | 106 | 114 Ų | 114 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | trans | 74.6 | 151.3 | 152.7 | -52.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 125 | S | 35.8 | Very low | 39.2 | Very low | 123 Ų | 123 | 112.2 Ų | 112.2 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | 80.4 | 120.4 | 146.4 | -59.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 126 | G | 33.7 | Very low | 38.5 | Very low | 70 Ų | 70 | 110.6 Ų | 110.6 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | 116.9 | 137.3 | 106.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 127 | N | 34.8 | Very low | 38.3 | Very low | 147 Ų | 147 | 109.4 Ų | 109.4 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | 58.3 | 110.2 | 155.8 | -79.1 | 46.8 | 0 | 0 | 0 | 119.1 | ||||
| 128 | T | 31.6 | Very low | 38.5 | Very low | 106 Ų | 106 | 111 Ų | 111 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | 90 | 141.2 | 69.4 | 60.7 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 129 | T | 33.3 | Very low | 38.1 | Very low | 130 Ų | 130 | 111.9 Ų | 111.9 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | trans | 73.1 | 136.3 | 164.3 | 50.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 130 | S | 40.7 | Very low | 37.8 | Very low | 117 Ų | 117 | 112.4 Ų | 112.4 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 75.7 | 146.7 | 159.7 | -52.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 131 | D | 32.4 | Very low | 37.7 | Very low | 152 Ų | 152 | 113.5 Ų | 113.5 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | cis | -165.1 | 161.2 | -26.9 | -173.5 | 30.9 | 0 | 0 | 0 | 110.1 | ||||
| 132 | A | 37.4 | Very low | 37.2 | Very low | 88 Ų | 88 | 108.9 Ų | 108.9 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 60.2 | 138.3 | 158.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 133 | G | 37.6 | Very low | 36.9 | Very low | 68 Ų | 68 | 108.2 Ų | 108.2 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | 120.9 | 60.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 134 | S | 38.4 | Very low | 37.4 | Very low | 128 Ų | 128 | 112.7 Ų | 112.7 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | 48.9 | 115 | 70.7 | -61.2 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 135 | G | 39 | Very low | 37.6 | Very low | 79 Ų | 79 | 110.7 Ų | 110.7 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | cis | 166 | 179.5 | -4.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 136 | G | 38.5 | Very low | 37.9 | Very low | 83 Ų | 83 | 111.4 Ų | 111.4 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | 115.5 | 102.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 137 | G | 38.3 | Very low | 38.3 | Very low | 73 Ų | 73 | 114.2 Ų | 114.2 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -108 | -152.4 | 137 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 138 | P | 45.2 | Very low | 38.3 | Very low | 121 Ų | 121 | 112.8 Ų | 112.8 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | cis | -126.9 | -167.3 | -16.6 | 41.4 | -26.5 | 0 | 0 | 0 | 111.1 | ||||
| 139 | S | 41.8 | Very low | 39 | Very low | 109 Ų | 109 | 111.9 Ų | 111.9 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | 141.3 | 147.5 | 138.9 | -63.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 140 | P | 43.6 | Very low | 39.1 | Very low | 128 Ų | 128 | 112 Ų | 112 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | trans | -99.2 | 140.1 | 170.2 | 36.9 | -31.1 | 0 | 0 | 0 | 113.3 | ||||
| 141 | V | 41.2 | Very low | 39.1 | Very low | 149 Ų | 149 | 110.8 Ų | 110.8 | 90% | 0.903 | 80% | 0.804 | S | S | * | * | trans | -166.9 | 152.2 | 168 | 110.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 142 | A | 36.6 | Very low | 39.5 | Very low | 82 Ų | 82 | 108.6 Ų | 108.6 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | cis | 178.6 | 140.8 | -30.6 | 0 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 143 | A | 33.6 | Very low | 40 | Very low | 100 Ų | 100 | 111.6 Ų | 111.6 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | 38.4 | 104.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 144 | E | 37.8 | Very low | 40.1 | Very low | 208 Ų | 208 | 116 Ų | 116 | 97% | 0.972 | 81% | 0.809 | S | S | * | * | trans | -165.9 | 138.6 | 137.6 | -106.4 | -178.2 | 144.1 | 0 | 0 | 107.5 | ||||
| 145 | G | 37.4 | Very low | 40.7 | Very low | 64 Ų | 64 | 115.7 Ų | 115.7 | 66% | 0.66 | 81% | 0.807 | S | S | * | * | cis | -170.8 | 138.6 | -14.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 146 | P | 42.8 | Very low | 41 | Very low | 138 Ų | 138 | 115.3 Ų | 115.3 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | trans | -82.6 | 144.8 | -172.9 | 32.6 | -34.9 | 0 | 0 | 0 | 113 | ||||
| 147 | S | 42 | Very low | 41 | Very low | 129 Ų | 129 | 121.7 Ų | 121.7 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -128.3 | 115.4 | 173.7 | -73.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 148 | S | 35.3 | Very low | 41.2 | Very low | 117 Ų | 117 | 121.6 Ų | 121.6 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -112.3 | 129.2 | 178.6 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 149 | A | 45 | Very low | 41.4 | Very low | 87 Ų | 87 | 119.4 Ų | 119.4 | 72% | 0.719 | 81% | 0.806 | S | S | * | * | trans | -164.2 | 105.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 150 | T | 36.4 | Very low | 41.4 | Very low | 132 Ų | 132 | 122 Ų | 122 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | 57.4 | 84.9 | 79 | 64.8 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 151 | A | 40.7 | Very low | 41.5 | Very low | 92 Ų | 92 | 124.4 Ų | 124.4 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | trans | -151.5 | 124.6 | 137.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 152 | S | 40.5 | Very low | 42.1 | Very low | 105 Ų | 105 | 121.2 Ų | 121.2 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | 78.3 | 136.7 | 51.8 | -62.5 | 0 | 0 | 0 | 0 | 113 | |||||
| 153 | I | 47.9 | Very low | 42.7 | Very low | 152 Ų | 152 | 126.1 Ų | 126.1 | 78% | 0.779 | 83% | 0.826 | S | S | * | * | cis | -160.3 | 151 | -6.7 | -118.5 | 164 | 0 | 0 | 0 | 109.7 | ||||
| 154 | L | 40.1 | Very low | 43.3 | Very low | 160 Ų | 160 | 124.5 Ų | 124.5 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | trans | 27.1 | 116.9 | 155.8 | -170.9 | 61 | 0 | 0 | 0 | 121.3 | ||||
| 155 | S | 50.8 | Low | 43.9 | Very low | 122 Ų | 122 | 120 Ų | 120 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | -162.3 | 163.4 | 156.5 | -79.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 156 | G | 44.9 | Very low | 44.4 | Very low | 70 Ų | 70 | 125 Ų | 125 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | cis | -155.5 | -39.5 | -0.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 157 | F | 39.7 | Very low | 44.6 | Very low | 217 Ų | 217 | 122.2 Ų | 122.2 | 95% | 0.952 | 82% | 0.817 | S | S | * | * | trans | 65.3 | 117.2 | 163.6 | -172.2 | -86.8 | 0 | 0 | 0 | 119.4 | ||||
| 158 | G | 42.6 | Very low | 44.9 | Very low | 71 Ų | 71 | 125 Ų | 125 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | trans | 148.7 | 138.8 | 154.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 159 | G | 48.4 | Very low | 45.3 | Very low | 75 Ų | 75 | 123.1 Ų | 123.1 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | 78.9 | 126.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 160 | I | 42.4 | Very low | 45 | Very low | 163 Ų | 163 | 125 Ų | 125 | 84% | 0.836 | 83% | 0.828 | S | S | * | * | cis | 75.9 | 89.3 | 7.9 | -50.9 | 179.5 | 0 | 0 | 0 | 117.1 | ||||
| 161 | L | 45.4 | Very low | 45.7 | Very low | 179 Ų | 179 | 122.3 Ų | 122.3 | 94% | 0.937 | 82% | 0.819 | S | S | * | * | trans | 165.7 | 139.5 | 133.2 | -93.9 | 160.1 | 0 | 0 | 0 | 110.9 | ||||
| 162 | G | 53.2 | Low | 46 | Very low | 83 Ų | 83 | 124.2 Ų | 124.2 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | trans | 161.6 | 57.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 163 | L | 48.8 | Very low | 46.5 | Very low | 185 Ų | 185 | 126.9 Ų | 126.9 | 97% | 0.969 | 82% | 0.815 | S | S | * | * | trans | -97.2 | 122.9 | 179 | 175.9 | 68.9 | 0 | 0 | 0 | 111.8 | ||||
| 164 | G | 48.1 | Very low | 46.8 | Very low | 65 Ų | 65 | 125.2 Ų | 125.2 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | trans | 143.8 | 156.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 165 | S | 50.1 | Low | 48.1 | Very low | 113 Ų | 113 | 124 Ų | 124 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | 58.7 | 93.6 | -179.3 | -84.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 166 | L | 46.6 | Very low | 48.8 | Very low | 170 Ų | 170 | 123.1 Ų | 123.1 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | 71.4 | 110.5 | 66.2 | -60.3 | 167.2 | 0 | 0 | 0 | 114.3 | |||||
| 167 | G | 46.9 | Very low | 49.5 | Very low | 80 Ų | 80 | 124.4 Ų | 124.4 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -179.4 | 119.8 | 171 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 168 | L | 48.2 | Very low | 50.8 | Low | 188 Ų | 188 | 118.5 Ų | 118.5 | 98% | 0.984 | 74% | 0.743 | S | S | * | * | trans | -133.1 | 128.9 | -164.6 | 179 | 114.5 | 0 | 0 | 0 | 110.7 | ||||
| 169 | G | 45.3 | Very low | 52.2 | Low | 76 Ų | 76 | 120.8 Ų | 120.8 | 78% | 0.784 | 73% | 0.734 | S | S | * | * | trans | 171.2 | 115.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 170 | S | 38.2 | Very low | 52.8 | Low | 128 Ų | 128 | 123.3 Ų | 123.3 | 90% | 0.895 | 73% | 0.728 | S | S | * | * | trans | -40.9 | 144.4 | 169 | -177.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 171 | A | 50.4 | Low | 53.7 | Low | 74 Ų | 74 | 119.5 Ų | 119.5 | 61% | 0.612 | 71% | 0.707 | S | S | * | * | trans | -175.8 | -52.9 | 145.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | F173 | A171-F173 PolarHBondContact O-N 3.49Å; A171-F173 VanDerWaalsContact O-N 3.17Å | ||
| 172 | N | 47.6 | Very low | 54.7 | Low | 132 Ų | 132 | 120.1 Ų | 120.1 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -9.7 | -144.2 | -71 | -77 | 0 | 0 | 0 | 119.3 | L176 | N172-L176 PolarHBondContact O-N 3.46Š|
| 173 | F | 51.6 | Low | 55 | Low | 161 Ų | 161 | 119.9 Ų | 119.9 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -71.9 | -34.9 | -173 | -173 | -107.7 | 0 | 0 | 0 | 113.6 | A171 Q177 | A171-F173 PolarHBondContact O-N 3.49Å; A171-F173 VanDerWaalsContact O-N 3.17Å; F173-Q177 PolarHBondContact O-N 2.85Å |
| 174 | M | 52.7 | Low | 55.5 | Low | 117 Ų | 117 | 114 Ų | 114 | 58% | 0.576 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.7 | -36.6 | -177.9 | -153.6 | 75.5 | -163.4 | 0 | 0 | 112.4 | Q177 Q178 | M174-Q177 PolarHBondContact O-N 2.84Å; M174-Q178 PolarHBondContact O-N 3.48Å |
| 175 | E | 67.6 | Low | 56 | Low | 134 Ų | 134 | 118.7 Ų | 118.7 | 63% | 0.626 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -62.3 | -46.6 | 177.3 | -160.6 | 89.2 | 95.7 | 0 | 0 | 110.7 | Q177 Q178 Q179 | E175-Q177 VanDerWaalsContact C-N 3.3Å; E175-Q177 PolarHBondContact O-N 2.86Å; E175-Q178 PolarHBondContact O-N 2.97Å; E175-Q179 WeakPolarHBondContact O-CB 3.39Å; E175-Q179 PolarHBondContact O-N 3.25Å |
| 176 | L | 66.2 | Low | 57.3 | Low | 105 Ų | 105 | 116.6 Ų | 116.6 | 55% | 0.55 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -59.6 | -39.2 | 178.5 | -176.6 | 65.8 | 0 | 0 | 0 | 112.1 | N172 Q179 M180 | N172-L176 PolarHBondContact O-N 3.46Å; L176-Q179 PolarHBondContact O-N 3.3Å; L176-M180 WeakPolarHBondContact O-CB 3.14Å; L176-M180 PolarHBondContact O-N 3.04Å |
| 177 | Q | 59.9 | Low | 58.4 | Low | 97 Ų | 97 | 111.2 Ų | 111.2 | 45% | 0.453 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.8 | -41 | 178.4 | -167.3 | 177.6 | 44.3 | 0 | 0 | 112 | F173 M174 E175 M180 Q181 | F173-Q177 PolarHBondContact O-N 2.85Å; M174-Q177 PolarHBondContact O-N 2.84Å; E175-Q177 VanDerWaalsContact C-N 3.3Å; E175-Q177 PolarHBondContact O-N 2.86Å; Q177-M180 PolarHBondContact O-N 3.25Å; Q177-Q181 PolarHBondContact O-N 2.87Å |
| 178 | Q | 67.3 | Low | 59.4 | Low | 92 Ų | 92 | 112.2 Ų | 112.2 | 43% | 0.43 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70.7 | -38.5 | 174.6 | -68.5 | -167.1 | 38.8 | 0 | 0 | 112.3 | M174 E175 M180 Q181 R182 | M174-Q178 PolarHBondContact O-N 3.48Å; E175-Q178 PolarHBondContact O-N 2.97Å; Q178-M180 VanDerWaalsContact C-N 3.3Å; Q178-M180 PolarHBondContact O-N 3.23Å; Q178-Q181 PolarHBondContact O-N 2.79Å; Q178-R182 WeakPolarHBondContact O-CB 3.24Å; Q178-R182 VanDerWaalsContact O-CG 3.3Å; Q178-R182 WeakPolarHBondContact O-CG 3.27Å; Q178-R182 PolarHBondContact O-N 3.36Å |
| 179 | Q | 70.9 | Confident | 60.9 | Low | 119 Ų | 119 | 110.9 Ų | 110.9 | 56% | 0.556 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.2 | -41.8 | 173.4 | -173.3 | 178.2 | 0.1 | 0 | 0 | 111 | E175 L176 R182 Q183 | E175-Q179 WeakPolarHBondContact O-CB 3.39Å; E175-Q179 PolarHBondContact O-N 3.25Å; L176-Q179 PolarHBondContact O-N 3.3Å; Q179-R182 PolarHBondContact O-N 2.73Å; Q179-Q183 WeakPolarHBondContact O-CB 3.34Å; Q179-Q183 PolarHBondContact O-N 3.42Å |
| 180 | M | 62.4 | Low | 62.1 | Low | 128 Ų | 128 | 110.8 Ų | 110.8 | 63% | 0.631 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65 | -46.9 | 175.9 | -173.6 | 176 | 177.6 | 0 | 0 | 112.3 | L176 Q177 Q178 R182 Q183 L184 | L176-M180 WeakPolarHBondContact O-CB 3.14Å; L176-M180 PolarHBondContact O-N 3.04Å; Q177-M180 PolarHBondContact O-N 3.25Å; Q178-M180 VanDerWaalsContact C-N 3.3Å; Q178-M180 PolarHBondContact O-N 3.23Å; M180-R182 VanDerWaalsContact C-N 3.34Å; M180-R182 PolarHBondContact O-N 3.49Å; M180-Q183 PolarHBondContact O-N 2.81Å; M180-L184 VanDerWaalsContact O-CB 3.32Å; M180-L184 WeakPolarHBondContact O-CB 3.16Å; M180-L184 PolarHBondContact O-N 3.13Å |
| 181 | Q | 60 | Low | 63.5 | Low | 84 Ų | 84 | 108.2 Ų | 108.2 | 39% | 0.393 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 176.5 | -75.4 | -166 | -16.6 | 0 | 0 | 112.3 | Q177 Q178 L184 M185 | Q177-Q181 PolarHBondContact O-N 2.87Å; Q178-Q181 PolarHBondContact O-N 2.79Å; Q181-L184 PolarHBondContact O-N 2.84Å; Q181-M185 WeakPolarHBondContact O-CG 3.27Å; Q181-M185 PolarHBondContact O-N 2.92Å |
| 182 | R | 65.8 | Low | 64.5 | Low | 191 Ų | 191 | 106.8 Ų | 106.8 | 72% | 0.721 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.9 | -42.7 | 175.9 | -70.7 | 174.4 | 69.5 | 95.9 | 1.2 | 112.3 | Q178 Q179 M180 M185 S186 | Q178-R182 WeakPolarHBondContact O-CB 3.24Å; Q178-R182 VanDerWaalsContact O-CG 3.3Å; Q178-R182 WeakPolarHBondContact O-CG 3.27Å; Q178-R182 PolarHBondContact O-N 3.36Å; Q179-R182 PolarHBondContact O-N 2.73Å; M180-R182 VanDerWaalsContact C-N 3.34Å; M180-R182 PolarHBondContact O-N 3.49Å; R182-M185 PolarHBondContact O-N 2.78Å; R182-S186 WeakPolarHBondContact O-CB 3.41Å; R182-S186 PolarHBondContact O-N 3.12Å; R182-S186 PolarHBondContact O-OG 3.27Å |
| 183 | Q | 61.3 | Low | 65.5 | Low | 78 Ų | 78 | 106.7 Ų | 106.7 | 36% | 0.364 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 177.2 | -167.8 | 80.6 | -106.8 | 0 | 0 | 112 | Q179 M180 M185 S186 N187 M190 | Q179-Q183 WeakPolarHBondContact O-CB 3.34Å; Q179-Q183 PolarHBondContact O-N 3.42Å; M180-Q183 PolarHBondContact O-N 2.81Å; Q183-M185 VanDerWaalsContact C-N 3.25Å; Q183-M185 PolarHBondContact O-N 3.43Å; Q183-S186 WeakPolarHBondContact CA-OG 3.06Å; Q183-S186 PolarHBondContact O-N 2.82Å; Q183-S186 PolarHBondContact O-OG 3.1Å; Q183-N187 PolarHBondContact O-N 2.95Å; Q183-N187 PolarHBondContact OE1-ND2 3.02Å; Q183-M190 HydrophobicContact CG-CE 4.12Å; Q183-M190 HydrophobicContact CG-SD 4.02Å |
| 184 | L | 59.2 | Low | 66.2 | Low | 62 Ų | 62 | 101.8 Ų | 101.8 | 33% | 0.325 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -72.6 | -19.6 | -178.2 | -157.7 | 142.9 | 0 | 0 | 0 | 112.4 | M180 Q181 L191 I194 | M180-L184 VanDerWaalsContact O-CB 3.32Å; M180-L184 WeakPolarHBondContact O-CB 3.16Å; M180-L184 PolarHBondContact O-N 3.13Å; Q181-L184 PolarHBondContact O-N 2.84Å; L184-L191 HydrophobicContact CD2-CD1 3.69Å; L184-L191 HydrophobicContact CG-CD1 4.4Å; L184-I194 HydrophobicContact CD1-CD1 3.9Å; L184-I194 HydrophobicContact CG-CD1 4.45Å |
| 185 | M | 58.6 | Low | 66.7 | Low | 164 Ų | 164 | 98.9 Ų | 98.9 | 81% | 0.808 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -91.9 | -21.5 | 169.1 | -67.8 | -178.2 | -179.9 | 0 | 0 | 114 | Q181 R182 Q183 | Q181-M185 WeakPolarHBondContact O-CG 3.27Å; Q181-M185 PolarHBondContact O-N 2.92Å; R182-M185 PolarHBondContact O-N 2.78Å; Q183-M185 VanDerWaalsContact C-N 3.25Å; Q183-M185 PolarHBondContact O-N 3.43Å |
| 186 | S | 77.7 | Confident | 67.2 | Low | 69 Ų | 69 | 98.3 Ų | 98.3 | 48% | 0.483 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -89.1 | -26.3 | -179.8 | 67.3 | 0 | 0 | 0 | 0 | 114.2 | R182 Q183 P188 | R182-S186 WeakPolarHBondContact O-CB 3.41Å; R182-S186 PolarHBondContact O-N 3.12Å; R182-S186 PolarHBondContact O-OG 3.27Å; Q183-S186 WeakPolarHBondContact CA-OG 3.06Å; Q183-S186 PolarHBondContact O-N 2.82Å; Q183-S186 PolarHBondContact O-OG 3.1Å; S186-P188 WeakPolarHBondContact O-CD 3.38Å |
| 187 | N | 68.5 | Low | 67.5 | Low | 56 Ų | 56 | 96.8 Ų | 96.8 | 30% | 0.299 | 48% | 0.48 | S | S | . | . | trans | -108.6 | 93 | -174.5 | -66.4 | -4 | 0 | 0 | 0 | 111.2 | Q183 E189 M190 L191 | Q183-N187 PolarHBondContact O-N 2.95Å; Q183-N187 PolarHBondContact OE1-ND2 3.02Å; N187-E189 PolarHBondContact O-N 3.15Å; N187-M190 HydrophobicContact CB-CB 3.54Å; N187-M190 WeakPolarHBondContact O-CB 3.11Å; N187-M190 PolarHBondContact O-N 3.45Å; N187-L191 PolarHBondContact O-N 2.85Å; N187-L191 VanDerWaalsContact O-N 3.08Å | ||
| 188 | P | 68 | Low | 68.2 | Low | 102 Ų | 102 | 96.8 Ų | 96.8 | 66% | 0.662 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.8 | -33 | 172.9 | 24.5 | -33.6 | 0 | 0 | 0 | 112.2 | S186 M190 L191 S192 | S186-P188 WeakPolarHBondContact O-CD 3.38Å; P188-M190 VanDerWaalsContact C-N 3.31Å; P188-M190 PolarHBondContact O-N 2.92Å; P188-L191 WeakPolarHBondContact O-CB 3.39Å; P188-L191 PolarHBondContact O-N 3.44Å; P188-L191 VanDerWaalsContact O-N 3.12Å; P188-S192 PolarHBondContact O-N 3.07Å; P188-S192 PolarHBondContact O-OG 3.05Å |
| 189 | E | 80.8 | Confident | 68.6 | Low | 159 Ų | 159 | 97.1 Ų | 97.1 | 74% | 0.743 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.2 | -33.9 | 171.3 | -70.5 | -91.9 | 100.5 | 0 | 0 | 113.1 | N187 S192 Q193 | N187-E189 PolarHBondContact O-N 3.15Å; E189-S192 WeakPolarHBondContact CA-OG 3.25Å; E189-S192 PolarHBondContact O-OG 2.95Å; E189-Q193 WeakPolarHBondContact O-CB 3.09Å; E189-Q193 PolarHBondContact O-N 2.78Å |
| 190 | M | 70.7 | Confident | 68.7 | Low | 75 Ų | 75 | 92.3 Ų | 92.3 | 37% | 0.369 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -74.4 | -35.2 | 173.9 | -176.3 | 174.4 | -80.8 | 0 | 0 | 110.3 | Q183 N187 P188 I194 | Q183-M190 HydrophobicContact CG-CE 4.12Å; Q183-M190 HydrophobicContact CG-SD 4.02Å; N187-M190 HydrophobicContact CB-CB 3.54Å; N187-M190 WeakPolarHBondContact O-CB 3.11Å; N187-M190 PolarHBondContact O-N 3.45Å; P188-M190 VanDerWaalsContact C-N 3.31Å; P188-M190 PolarHBondContact O-N 2.92Å; M190-I194 HydrophobicContact CG-CD1 3.83Å; M190-I194 HydrophobicContact CG-CG1 4.48Å; M190-I194 VanDerWaalsContact O-CB 3.25Å; M190-I194 WeakPolarHBondContact O-CB 3.46Å; M190-I194 WeakPolarHBondContact O-CD1 3.49Å; M190-I194 WeakPolarHBondContact O-CG1 3.21Å; M190-I194 PolarHBondContact O-N 3.44Å |
| 191 | L | 66.8 | Low | 68.9 | Low | 73 Ų | 73 | 90 Ų | 90 | 38% | 0.382 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.5 | -39 | 177.6 | -159.7 | 75.1 | 0 | 0 | 0 | 112.1 | L184 N187 P188 I194 M195 | L184-L191 HydrophobicContact CD2-CD1 3.69Å; L184-L191 HydrophobicContact CG-CD1 4.4Å; N187-L191 PolarHBondContact O-N 2.85Å; N187-L191 VanDerWaalsContact O-N 3.08Å; P188-L191 WeakPolarHBondContact O-CB 3.39Å; P188-L191 PolarHBondContact O-N 3.44Å; P188-L191 VanDerWaalsContact O-N 3.12Å; L191-I194 PolarHBondContact O-N 2.87Å; L191-M195 PolarHBondContact O-N 3.32Å |
| 192 | S | 71.1 | Confident | 69.4 | Low | 45 Ų | 45 | 88 Ų | 88 | 32% | 0.315 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.9 | -51.3 | 171.5 | 60.2 | 0 | 0 | 0 | 0 | 110.7 | P188 E189 I194 M195 E196 | P188-S192 PolarHBondContact O-N 3.07Å; P188-S192 PolarHBondContact O-OG 3.05Å; E189-S192 WeakPolarHBondContact CA-OG 3.25Å; E189-S192 PolarHBondContact O-OG 2.95Å; S192-I194 PolarHBondContact O-N 2.89Å; S192-M195 CarbonylContact O-C 3.57Å; S192-M195 WeakPolarHBondContact O-CA 3.14Å; S192-M195 PolarHBondContact O-N 2.85Å; S192-E196 WeakPolarHBondContact O-CB 3.32Å; S192-E196 VanDerWaalsContact O-CG 3.29Å; S192-E196 WeakPolarHBondContact O-CG 3.43Å; S192-E196 PolarHBondContact O-N 2.95Å |
| 193 | Q | 68.9 | Low | 69.5 | Low | 129 Ų | 129 | 80.6 Ų | 80.6 | 60% | 0.603 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -58 | -27.6 | 178 | -171 | 66.3 | 90.3 | 0 | 0 | 113.1 | E189 | E189-Q193 WeakPolarHBondContact O-CB 3.09Å; E189-Q193 PolarHBondContact O-N 2.78Å |
| 194 | I | 67.1 | Low | 69.6 | Low | 58 Ų | 58 | 78.6 Ų | 78.6 | 30% | 0.297 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -77.8 | -44.9 | 171.3 | -74.4 | 171.1 | 0 | 0 | 0 | 111.6 | L184 M190 L191 S192 E196 N197 V200 | L184-I194 HydrophobicContact CD1-CD1 3.9Å; L184-I194 HydrophobicContact CG-CD1 4.45Å; M190-I194 HydrophobicContact CG-CD1 3.83Å; M190-I194 HydrophobicContact CG-CG1 4.48Å; M190-I194 VanDerWaalsContact O-CB 3.25Å; M190-I194 WeakPolarHBondContact O-CB 3.46Å; M190-I194 WeakPolarHBondContact O-CD1 3.49Å; M190-I194 WeakPolarHBondContact O-CG1 3.21Å; M190-I194 PolarHBondContact O-N 3.44Å; L191-I194 PolarHBondContact O-N 2.87Å; S192-I194 PolarHBondContact O-N 2.89Å; I194-E196 VanDerWaalsContact C-N 3.32Å; I194-E196 PolarHBondContact O-N 3.1Å; I194-N197 WeakPolarHBondContact O-CB 3.45Å; I194-N197 PolarHBondContact O-N 3.17Å; I194-V200 HydrophobicContact CG2-CG1 4.34Å; I194-V200 HydrophobicContact CG2-CG2 4Å; I194-V200 WeakPolarHBondContact O-CB 3.33Å; I194-V200 WeakPolarHBondContact O-CG1 3.49Å; I194-V200 WeakPolarHBondContact O-CG2 3.12Å |
| 195 | M | 62.9 | Low | 70.4 | Confident | 56 Ų | 56 | 79.1 Ų | 79.1 | 28% | 0.276 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.5 | -29.1 | 175.2 | -81.2 | -173.6 | 165.1 | 0 | 0 | 114.2 | L191 S192 N197 Q201 M204 A247 | L191-M195 PolarHBondContact O-N 3.32Å; S192-M195 CarbonylContact O-C 3.57Å; S192-M195 WeakPolarHBondContact O-CA 3.14Å; S192-M195 PolarHBondContact O-N 2.85Å; M195-N197 VanDerWaalsContact C-N 3.27Å; M195-Q201 PolarHBondContact O-NE2 2.95Å; M195-Q201 VanDerWaalsContact O-NE2 3.15Å; M195-M204 HydrophobicContact CE-CE 3.73Å; M195-M204 HydrophobicContact CE-SD 4.29Å; M195-M204 HydrophobicContact CG-CE 3.91Å; M195-M204 HydrophobicContact CG-SD 4.12Å; M195-A247 HydrophobicContact CE-CB 4Å; M195-A247 HydrophobicContact SD-CB 4.4Å |
| 196 | E | 76.4 | Confident | 71.3 | Confident | 122 Ų | 122 | 73.8 Ų | 73.8 | 57% | 0.57 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -10 | 174.9 | -67.9 | 172.9 | 99.4 | 0 | 0 | 112.4 | S192 I194 | S192-E196 WeakPolarHBondContact O-CB 3.32Å; S192-E196 VanDerWaalsContact O-CG 3.29Å; S192-E196 WeakPolarHBondContact O-CG 3.43Å; S192-E196 PolarHBondContact O-N 2.95Å; I194-E196 VanDerWaalsContact C-N 3.32Å; I194-E196 PolarHBondContact O-N 3.1Å |
| 197 | N | 74.3 | Confident | 70.9 | Confident | 73 Ų | 73 | 72 Ų | 72 | 39% | 0.39 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -72.3 | 127.3 | 177.7 | -163.4 | -60.1 | 0 | 0 | 0 | 110.2 | I194 M195 L199 V200 Q201 | I194-N197 WeakPolarHBondContact O-CB 3.45Å; I194-N197 PolarHBondContact O-N 3.17Å; M195-N197 VanDerWaalsContact C-N 3.27Å; N197-L199 PolarHBondContact O-N 3.4Å; N197-L199 VanDerWaalsContact O-N 3.1Å; N197-L199 WeakPolarHBondContact OD1-CB 3.15Å; N197-L199 PolarHBondContact OD1-N 2.79Å; N197-V200 HydrophobicContact CB-CB 4.37Å; N197-V200 HydrophobicContact CB-CG2 4.23Å; N197-V200 PolarHBondContact O-N 2.78Å; N197-Q201 WeakPolarHBondContact O-CB 3.36Å; N197-Q201 PolarHBondContact O-N 3.06Å |
| 198 | P | 73.7 | Confident | 71.5 | Confident | 98 Ų | 98 | 74.1 Ų | 74.1 | 64% | 0.636 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.9 | -27.9 | -175.8 | 23.1 | -34.2 | 0 | 0 | 0 | 113.4 | D202 | P198-D202 WeakPolarHBondContact O-CB 3.3Å; P198-D202 PolarHBondContact O-N 3.17Å |
| 199 | L | 76.3 | Confident | 72 | Confident | 98 Ų | 98 | 70 Ų | 70 | 51% | 0.513 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 173.6 | -169.4 | 97.1 | 0 | 0 | 0 | 112.2 | N197 M203 | N197-L199 PolarHBondContact O-N 3.4Å; N197-L199 VanDerWaalsContact O-N 3.1Å; N197-L199 WeakPolarHBondContact OD1-CB 3.15Å; N197-L199 PolarHBondContact OD1-N 2.79Å; L199-M203 WeakPolarHBondContact O-CB 3.43Å; L199-M203 PolarHBondContact O-N 2.9Å |
| 200 | V | 72.1 | Confident | 71.3 | Confident | 19 Ų | 19 | 64.3 Ų | 64.3 | 12% | 0.115 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -79.4 | -34.2 | -179.6 | 176.9 | 0 | 0 | 0 | 0 | 110 | I194 N197 D202 M203 M204 | I194-V200 HydrophobicContact CG2-CG1 4.34Å; I194-V200 HydrophobicContact CG2-CG2 4Å; I194-V200 WeakPolarHBondContact O-CB 3.33Å; I194-V200 WeakPolarHBondContact O-CG1 3.49Å; I194-V200 WeakPolarHBondContact O-CG2 3.12Å; N197-V200 HydrophobicContact CB-CB 4.37Å; N197-V200 HydrophobicContact CB-CG2 4.23Å; N197-V200 PolarHBondContact O-N 2.78Å; V200-D202 VanDerWaalsContact C-N 3.33Å; V200-M203 HydrophobicContact CG1-CE 4.28Å; V200-M203 CarbonylContact O-C 3.59Å; V200-M203 WeakPolarHBondContact O-CB 3.36Å; V200-M203 PolarHBondContact O-N 2.9Å; V200-M204 HydrophobicContact CG1-CE 3.68Å; V200-M204 HydrophobicContact CG1-CG 4.25Å; V200-M204 HydrophobicContact CG1-SD 3.98Å; V200-M204 WeakPolarHBondContact O-CB 3.24Å; V200-M204 WeakPolarHBondContact O-CG 3.46Å; V200-M204 PolarHBondContact O-N 3.29Å |
| 201 | Q | 67 | Low | 71.4 | Confident | 80 Ų | 80 | 63.7 Ų | 63.7 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67 | -35.5 | 175.4 | -157.5 | 154.9 | 110.8 | 0 | 0 | 111.8 | M195 N197 S205 | M195-Q201 PolarHBondContact O-NE2 2.95Å; M195-Q201 VanDerWaalsContact O-NE2 3.15Å; N197-Q201 WeakPolarHBondContact O-CB 3.36Å; N197-Q201 PolarHBondContact O-N 3.06Å; Q201-S205 VanDerWaalsContact O-CB 3.25Å; Q201-S205 WeakPolarHBondContact O-CB 3.47Å; Q201-S205 PolarHBondContact O-N 3.25Å; Q201-S205 PolarHBondContact O-OG 3.5Å |
| 202 | D | 70.3 | Confident | 71.8 | Confident | 42 Ų | 42 | 65.7 Ų | 65.7 | 23% | 0.225 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.7 | -55.7 | 165.5 | -179.8 | -67.5 | 0 | 0 | 0 | 110.9 | P198 V200 M204 S205 N206 T403 | P198-D202 WeakPolarHBondContact O-CB 3.3Å; P198-D202 PolarHBondContact O-N 3.17Å; V200-D202 VanDerWaalsContact C-N 3.33Å; D202-M204 PolarHBondContact O-N 2.75Å; D202-M204 VanDerWaalsContact O-N 3.1Å; D202-S205 WeakPolarHBondContact CA-OG 3.27Å; D202-S205 PolarHBondContact O-N 2.9Å; D202-S205 PolarHBondContact O-OG 2.8Å; D202-N206 WeakPolarHBondContact O-CB 3.27Å; D202-N206 PolarHBondContact O-N 3.37Å; D202-N206 PolarHBondContact O-ND2 2.83Å; D202-N206 PolarHBondContact OD1-ND2 3.4Å; D202-T403 WeakPolarHBondContact OD2-CG2 3.16Å |
| 203 | M | 67 | Low | 71.8 | Confident | 34 Ų | 34 | 68.1 Ų | 68.1 | 17% | 0.167 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -54.2 | -31.9 | 179.3 | -171 | -169.5 | 86.8 | 0 | 0 | 113.7 | L199 V200 L209 M213 | L199-M203 WeakPolarHBondContact O-CB 3.43Å; L199-M203 PolarHBondContact O-N 2.9Å; V200-M203 HydrophobicContact CG1-CE 4.28Å; V200-M203 CarbonylContact O-C 3.59Å; V200-M203 WeakPolarHBondContact O-CB 3.36Å; V200-M203 PolarHBondContact O-N 2.9Å; M203-L209 HydrophobicContact CB-CD2 4.22Å; M203-L209 HydrophobicContact CG-CD2 4.09Å; M203-L209 HydrophobicContact CG-CG 4.02Å; M203-M213 HydrophobicContact CE-CE 4.29Å; M203-M213 HydrophobicContact CE-SD 3.79Å; M203-M213 HydrophobicContact CG-CE 4.47Å; M203-M213 HydrophobicContact SD-CE 3.35Å; M203-M213 WeakPolarHBondContact SD-CE 3.37Å; M203-M213 HydrophobicContact SD-SD 3.67Å; M203-M213 VanDerWaalsContact SD-SD 3.67Å |
| 204 | M | 64.5 | Low | 71.8 | Confident | 36 Ų | 36 | 62.6 Ų | 62.6 | 18% | 0.177 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -81 | -45.3 | 174.8 | -77.1 | -173.8 | 178.4 | 0 | 0 | 111.4 | M195 V200 D202 N206 M210 M244 | M195-M204 HydrophobicContact CE-CE 3.73Å; M195-M204 HydrophobicContact CE-SD 4.29Å; M195-M204 HydrophobicContact CG-CE 3.91Å; M195-M204 HydrophobicContact CG-SD 4.12Å; V200-M204 HydrophobicContact CG1-CE 3.68Å; V200-M204 HydrophobicContact CG1-CG 4.25Å; V200-M204 HydrophobicContact CG1-SD 3.98Å; V200-M204 WeakPolarHBondContact O-CB 3.24Å; V200-M204 WeakPolarHBondContact O-CG 3.46Å; V200-M204 PolarHBondContact O-N 3.29Å; D202-M204 PolarHBondContact O-N 2.75Å; D202-M204 VanDerWaalsContact O-N 3.1Å; M204-N206 PolarHBondContact O-N 3.29Å; M204-M210 HydrophobicContact CG-CE 4.33Å; M204-M244 VanDerWaalsContact C-SD 3.54Å; M204-M244 HydrophobicContact CB-CE 3.5Å; M204-M244 VanDerWaalsContact CB-CE 3.5Å; M204-M244 HydrophobicContact CB-CG 4.48Å; M204-M244 HydrophobicContact CB-SD 3.62Å; M204-M244 HydrophobicContact CG-CE 3.85Å; M204-M244 HydrophobicContact CG-SD 4.46Å; M204-M244 WeakPolarHBondContact O-CE 3.47Å |
| 205 | S | 76.3 | Confident | 72.2 | Confident | 73 Ų | 73 | 65.1 Ų | 65.1 | 51% | 0.51 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62 | -24.8 | 176.2 | 75.1 | 0 | 0 | 0 | 0 | 114 | Q201 D202 P207 | Q201-S205 VanDerWaalsContact O-CB 3.25Å; Q201-S205 WeakPolarHBondContact O-CB 3.47Å; Q201-S205 PolarHBondContact O-N 3.25Å; Q201-S205 PolarHBondContact O-OG 3.5Å; D202-S205 WeakPolarHBondContact CA-OG 3.27Å; D202-S205 PolarHBondContact O-N 2.9Å; D202-S205 PolarHBondContact O-OG 2.8Å; S205-P207 WeakPolarHBondContact O-CD 3.46Å |
| 206 | N | 77.5 | Confident | 72.9 | Confident | 52 Ų | 52 | 65.6 Ų | 65.6 | 28% | 0.278 | 35% | 0.351 | S | S | . | . | trans | -93.7 | 93 | 179 | -82 | -49.3 | 0 | 0 | 0 | 111.2 | D202 M204 D208 L209 M210 | D202-N206 WeakPolarHBondContact O-CB 3.27Å; D202-N206 PolarHBondContact O-N 3.37Å; D202-N206 PolarHBondContact O-ND2 2.83Å; D202-N206 PolarHBondContact OD1-ND2 3.4Å; M204-N206 PolarHBondContact O-N 3.29Å; N206-D208 PolarHBondContact O-N 3.47Å; N206-D208 VanDerWaalsContact O-N 3.12Å; N206-L209 HydrophobicContact CB-CB 3.83Å; N206-L209 PolarHBondContact O-N 3.44Å; N206-L209 VanDerWaalsContact O-N 3.09Å; N206-M210 PolarHBondContact O-N 2.93Å | ||
| 207 | P | 69.6 | Low | 72.7 | Confident | 33 Ų | 33 | 62.3 Ų | 62.3 | 21% | 0.214 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.6 | -27.5 | -175.3 | 26.7 | -36.5 | 0 | 0 | 0 | 113.1 | S205 R211 P237 M240 | S205-P207 WeakPolarHBondContact O-CD 3.46Å; P207-R211 VanDerWaalsContact O-CB 3.3Å; P207-R211 WeakPolarHBondContact O-CB 3.04Å; P207-R211 WeakPolarHBondContact O-CG 3.32Å; P207-R211 PolarHBondContact O-N 3.29Å; P207-P237 HydrophobicContact CB-CB 4.41Å; P207-M240 HydrophobicContact CB-SD 4.36Å |
| 208 | D | 80.5 | Confident | 72.8 | Confident | 100 Ų | 100 | 62.9 Ų | 62.9 | 54% | 0.535 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -80.7 | -29.3 | 179.2 | -58.1 | -57.5 | 0 | 0 | 0 | 112.8 | N206 R211 H212 | N206-D208 PolarHBondContact O-N 3.47Å; N206-D208 VanDerWaalsContact O-N 3.12Å; D208-R211 IonicContact OD1-NH1 3.68Å; D208-R211 PolarHBondContact OD1-NH1 3.24Å; D208-H212 VanDerWaalsContact O-CB 3.25Å; D208-H212 WeakPolarHBondContact O-CB 3.25Å; D208-H212 PolarHBondContact O-N 3.08Å |
| 209 | L | 77.2 | Confident | 72.9 | Confident | 15 Ų | 15 | 62.8 Ų | 62.8 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -72.1 | -39.7 | 167.5 | 177.5 | 53.6 | 0 | 0 | 0 | 110.6 | M203 N206 H212 M213 Y400 | M203-L209 HydrophobicContact CB-CD2 4.22Å; M203-L209 HydrophobicContact CG-CD2 4.09Å; M203-L209 HydrophobicContact CG-CG 4.02Å; N206-L209 HydrophobicContact CB-CB 3.83Å; N206-L209 PolarHBondContact O-N 3.44Å; N206-L209 VanDerWaalsContact O-N 3.09Å; L209-H212 PolarHBondContact O-N 2.84Å; L209-M213 PolarHBondContact O-N 2.85Å; L209-Y400 HydrophobicContact CD1-CD2 4.11Å; L209-Y400 HydrophobicContact CD2-CD2 3.84Å; L209-Y400 HydrophobicContact CD2-CE2 4.4Å |
| 210 | M | 66.8 | Low | 72.6 | Confident | 39 Ų | 39 | 60.7 Ų | 60.7 | 19% | 0.192 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.9 | -50.4 | 173.9 | -140.1 | -158.9 | -177.5 | 0 | 0 | 110.9 | M204 N206 H212 M213 I214 M240 M244 | M204-M210 HydrophobicContact CG-CE 4.33Å; N206-M210 PolarHBondContact O-N 2.93Å; M210-H212 VanDerWaalsContact C-N 3.32Å; M210-H212 PolarHBondContact O-N 3.44Å; M210-M213 PolarHBondContact O-N 3.12Å; M210-I214 HydrophobicContact CB-CD1 4.43Å; M210-I214 HydrophobicContact CG-CD1 4Å; M210-I214 VanDerWaalsContact O-CB 3.26Å; M210-I214 WeakPolarHBondContact O-CB 3.47Å; M210-I214 WeakPolarHBondContact O-CD1 3.28Å; M210-I214 WeakPolarHBondContact O-CG1 3.28Å; M210-I214 PolarHBondContact O-N 2.9Å; M210-I214 HydrophobicContact SD-CD1 4.31Å; M210-M240 HydrophobicContact CB-CE 3.95Å; M210-M240 HydrophobicContact CB-SD 4.33Å; M210-M240 HydrophobicContact CG-CE 4.12Å; M210-M240 HydrophobicContact SD-CE 3.59Å; M210-M240 VanDerWaalsContact SD-CE 3.59Å; M210-M240 HydrophobicContact SD-CG 4.02Å; M210-M240 HydrophobicContact SD-SD 3.81Å; M210-M244 HydrophobicContact CE-CE 3.51Å; M210-M244 HydrophobicContact SD-CE 3.35Å; M210-M244 WeakPolarHBondContact SD-CE 3.26Å |
| 211 | R | 72.9 | Confident | 72.6 | Confident | 63 Ų | 63 | 64.4 Ų | 64.4 | 24% | 0.238 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -56.9 | -41.5 | 172.1 | -77.9 | 167.4 | 176.2 | 158.4 | -6.7 | 112.5 | P207 D208 I214 M215 L234 N235 M240 | P207-R211 VanDerWaalsContact O-CB 3.3Å; P207-R211 WeakPolarHBondContact O-CB 3.04Å; P207-R211 WeakPolarHBondContact O-CG 3.32Å; P207-R211 PolarHBondContact O-N 3.29Å; D208-R211 IonicContact OD1-NH1 3.68Å; D208-R211 PolarHBondContact OD1-NH1 3.24Å; R211-I214 PolarHBondContact O-N 2.66Å; R211-M215 WeakPolarHBondContact O-CB 3.23Å; R211-M215 WeakPolarHBondContact O-CG 3.23Å; R211-M215 PolarHBondContact O-N 2.87Å; R211-L234 PolarHBondContact NE-O 3.2Å; R211-N235 PolarHBondContact NH2-O 3.1Å; R211-M240 HydrophobicContact CG-CE 4.21Å |
| 212 | H | 75 | Confident | 73.1 | Confident | 115 Ų | 115 | 66.2 Ų | 66.2 | 53% | 0.532 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 177.5 | -175.9 | 68.2 | 0 | 0 | 0 | 111.7 | D208 L209 M210 I214 M215 A216 | D208-H212 VanDerWaalsContact O-CB 3.25Å; D208-H212 WeakPolarHBondContact O-CB 3.25Å; D208-H212 PolarHBondContact O-N 3.08Å; L209-H212 PolarHBondContact O-N 2.84Å; M210-H212 VanDerWaalsContact C-N 3.32Å; M210-H212 PolarHBondContact O-N 3.44Å; H212-I214 VanDerWaalsContact C-N 3.31Å; H212-I214 PolarHBondContact O-N 3.33Å; H212-M215 PolarHBondContact O-N 2.86Å; H212-A216 WeakPolarHBondContact O-CB 3.26Å; H212-A216 PolarHBondContact O-N 2.97Å |
| 213 | M | 70.5 | Confident | 73 | Confident | 96 Ų | 96 | 67.7 Ų | 67.7 | 47% | 0.473 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 174.8 | 179.5 | 170.3 | -72.2 | 0 | 0 | 112.3 | M203 L209 M210 A216 N217 | M203-M213 HydrophobicContact CE-CE 4.29Å; M203-M213 HydrophobicContact CE-SD 3.79Å; M203-M213 HydrophobicContact CG-CE 4.47Å; M203-M213 HydrophobicContact SD-CE 3.35Å; M203-M213 WeakPolarHBondContact SD-CE 3.37Å; M203-M213 HydrophobicContact SD-SD 3.67Å; M203-M213 VanDerWaalsContact SD-SD 3.67Å; L209-M213 PolarHBondContact O-N 2.85Å; M210-M213 PolarHBondContact O-N 3.12Å; M213-A216 PolarHBondContact O-N 3.44Å; M213-N217 WeakPolarHBondContact O-CB 3.18Å; M213-N217 PolarHBondContact O-N 3.03Å |
| 214 | I | 70.6 | Confident | 73.2 | Confident | 12 Ų | 12 | 67.9 Ų | 67.9 | 6% | 0.062 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.5 | -41.4 | 177.6 | -84.2 | 148.2 | 0 | 0 | 0 | 112.1 | M210 R211 H212 M220 M224 L234 M240 | M210-I214 HydrophobicContact CB-CD1 4.43Å; M210-I214 HydrophobicContact CG-CD1 4Å; M210-I214 VanDerWaalsContact O-CB 3.26Å; M210-I214 WeakPolarHBondContact O-CB 3.47Å; M210-I214 WeakPolarHBondContact O-CD1 3.28Å; M210-I214 WeakPolarHBondContact O-CG1 3.28Å; M210-I214 PolarHBondContact O-N 2.9Å; M210-I214 HydrophobicContact SD-CD1 4.31Å; R211-I214 PolarHBondContact O-N 2.66Å; H212-I214 VanDerWaalsContact C-N 3.31Å; H212-I214 PolarHBondContact O-N 3.33Å; I214-M220 HydrophobicContact CB-CG 4.01Å; I214-M220 HydrophobicContact CG1-CE 3.86Å; I214-M220 HydrophobicContact CG1-CG 3.96Å; I214-M220 HydrophobicContact CG1-SD 4.16Å; I214-M220 HydrophobicContact CG2-CG 3.75Å; I214-M220 VanDerWaalsContact O-CB 3.31Å; I214-M220 WeakPolarHBondContact O-CB 3.36Å; I214-M220 WeakPolarHBondContact O-CG 3.43Å; I214-M224 HydrophobicContact CG2-SD 3.8Å; I214-L234 HydrophobicContact CD1-CD2 3.4Å; I214-L234 VanDerWaalsContact CD1-CD2 3.4Å; I214-L234 HydrophobicContact CG1-CD2 4.09Å; I214-L234 HydrophobicContact CG2-CD1 3.63Å; I214-L234 HydrophobicContact CG2-CD2 3.99Å; I214-L234 HydrophobicContact CG2-CG 4.27Å; I214-M240 HydrophobicContact CD1-CE 3.46Å; I214-M240 VanDerWaalsContact CD1-CE 3.46Å |
| 215 | M | 74.2 | Confident | 73.6 | Confident | 112 Ų | 112 | 73.5 Ų | 73.5 | 55% | 0.552 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -76.6 | -31.2 | 174.8 | -69.1 | 176.9 | 175.6 | 0 | 0 | 112.1 | R211 H212 N217 Q221 | R211-M215 WeakPolarHBondContact O-CB 3.23Å; R211-M215 WeakPolarHBondContact O-CG 3.23Å; R211-M215 PolarHBondContact O-N 2.87Å; H212-M215 PolarHBondContact O-N 2.86Å; M215-N217 VanDerWaalsContact C-N 3.34Å; M215-Q221 PolarHBondContact O-NE2 3.47Å |
| 216 | A | 78.6 | Confident | 73.6 | Confident | 65 Ų | 65 | 77.4 Ų | 77.4 | 54% | 0.537 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -73.5 | -22.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | H212 M213 P218 | H212-A216 WeakPolarHBondContact O-CB 3.26Å; H212-A216 PolarHBondContact O-N 2.97Å; M213-A216 PolarHBondContact O-N 3.44Å; A216-P218 WeakPolarHBondContact O-CD 3.27Å |
| 217 | N | 71 | Confident | 73.1 | Confident | 53 Ų | 53 | 77.8 Ų | 77.8 | 28% | 0.283 | 39% | 0.389 | S | S | . | . | trans | -86.7 | 113 | 177.6 | -176.9 | -6.7 | 0 | 0 | 0 | 111.1 | M213 M215 Q219 M220 Q221 | M213-N217 WeakPolarHBondContact O-CB 3.18Å; M213-N217 PolarHBondContact O-N 3.03Å; M215-N217 VanDerWaalsContact C-N 3.34Å; N217-Q219 VanDerWaalsContact C-N 3.26Å; N217-Q219 PolarHBondContact O-N 3.43Å; N217-Q219 WeakPolarHBondContact OD1-CB 3.48Å; N217-Q219 PolarHBondContact OD1-N 2.94Å; N217-M220 HydrophobicContact CB-CB 3.86Å; N217-M220 WeakPolarHBondContact O-CA 3.26Å; N217-M220 WeakPolarHBondContact O-CB 3.46Å; N217-M220 PolarHBondContact O-N 2.74Å; N217-Q221 PolarHBondContact O-N 2.93Å | ||
| 218 | P | 77.8 | Confident | 73.5 | Confident | 85 Ų | 85 | 80.1 Ų | 80.1 | 55% | 0.552 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.5 | -28.3 | 179.8 | 27 | -35 | 0 | 0 | 0 | 113.1 | A216 M220 Q221 Q222 | A216-P218 WeakPolarHBondContact O-CD 3.27Å; P218-M220 PolarHBondContact O-N 3.31Å; P218-Q221 PolarHBondContact O-N 3.31Å; P218-Q222 WeakPolarHBondContact O-CG 3.2Å; P218-Q222 PolarHBondContact O-N 2.76Å; P218-Q222 VanDerWaalsContact O-N 3.09Å |
| 219 | Q | 76 | Confident | 73.3 | Confident | 97 Ų | 97 | 82.7 Ų | 82.7 | 45% | 0.453 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.2 | -30.7 | 173.8 | -52.5 | -174 | -77.2 | 0 | 0 | 111.4 | N217 L223 | N217-Q219 VanDerWaalsContact C-N 3.26Å; N217-Q219 PolarHBondContact O-N 3.43Å; N217-Q219 WeakPolarHBondContact OD1-CB 3.48Å; N217-Q219 PolarHBondContact OD1-N 2.94Å; Q219-L223 WeakPolarHBondContact O-CB 3.31Å; Q219-L223 PolarHBondContact O-N 3.3Å; Q219-L223 VanDerWaalsContact O-N 3.12Å |
| 220 | M | 69.5 | Low | 72.9 | Confident | 54 Ų | 54 | 83.5 Ų | 83.5 | 27% | 0.266 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -81.4 | -34 | 178.2 | -171 | 80.5 | 69.1 | 0 | 0 | 111.5 | I214 N217 P218 L223 M224 | I214-M220 HydrophobicContact CB-CG 4.01Å; I214-M220 HydrophobicContact CG1-CE 3.86Å; I214-M220 HydrophobicContact CG1-CG 3.96Å; I214-M220 HydrophobicContact CG1-SD 4.16Å; I214-M220 HydrophobicContact CG2-CG 3.75Å; I214-M220 VanDerWaalsContact O-CB 3.31Å; I214-M220 WeakPolarHBondContact O-CB 3.36Å; I214-M220 WeakPolarHBondContact O-CG 3.43Å; N217-M220 HydrophobicContact CB-CB 3.86Å; N217-M220 WeakPolarHBondContact O-CA 3.26Å; N217-M220 WeakPolarHBondContact O-CB 3.46Å; N217-M220 PolarHBondContact O-N 2.74Å; P218-M220 PolarHBondContact O-N 3.31Å; M220-L223 CarbonylContact O-C 3.56Å; M220-L223 WeakPolarHBondContact O-CB 3.5Å; M220-L223 PolarHBondContact O-N 3.29Å; M220-L223 VanDerWaalsContact O-N 3.16Å; M220-L223 HydrophobicContact SD-CD2 4.18Å; M220-M224 VanDerWaalsContact O-CG 3.3Å; M220-M224 WeakPolarHBondContact O-CG 3.43Å; M220-M224 PolarHBondContact O-N 2.82Å |
| 221 | Q | 72.5 | Confident | 73.1 | Confident | 96 Ų | 96 | 83.5 Ų | 83.5 | 45% | 0.449 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -57.7 | -50.4 | 168.3 | -67.2 | -179.8 | 43.5 | 0 | 0 | 110.6 | M215 N217 P218 L223 M224 E225 | M215-Q221 PolarHBondContact O-NE2 3.47Å; N217-Q221 PolarHBondContact O-N 2.93Å; P218-Q221 PolarHBondContact O-N 3.31Å; Q221-L223 PolarHBondContact O-N 3.39Å; Q221-M224 WeakPolarHBondContact O-CA 3.36Å; Q221-M224 WeakPolarHBondContact O-CB 3.14Å; Q221-M224 PolarHBondContact O-N 2.74Å; Q221-E225 WeakPolarHBondContact O-CG 3.13Å; Q221-E225 PolarHBondContact O-N 2.93Å |
| 222 | Q | 76.1 | Confident | 73.3 | Confident | 119 Ų | 119 | 86.3 Ų | 86.3 | 56% | 0.556 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -56.4 | -37.8 | 173.6 | -70.9 | 178.8 | -29.3 | 0 | 0 | 112.4 | P218 E225 R226 | P218-Q222 WeakPolarHBondContact O-CG 3.2Å; P218-Q222 PolarHBondContact O-N 2.76Å; P218-Q222 VanDerWaalsContact O-N 3.09Å; Q222-E225 WeakPolarHBondContact CA-OE2 3.21Å; Q222-E225 PolarHBondContact O-N 3.47Å; Q222-R226 WeakPolarHBondContact O-CB 3.25Å; Q222-R226 WeakPolarHBondContact O-CG 3.15Å; Q222-R226 PolarHBondContact O-N 3.39Å |
| 223 | L | 68.8 | Low | 73.1 | Confident | 73 Ų | 73 | 83.3 Ų | 83.3 | 38% | 0.382 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -70.1 | -33.6 | 176.3 | -173.5 | 58.5 | 0 | 0 | 0 | 113 | Q219 M220 Q221 N227 I230 | Q219-L223 WeakPolarHBondContact O-CB 3.31Å; Q219-L223 PolarHBondContact O-N 3.3Å; Q219-L223 VanDerWaalsContact O-N 3.12Å; M220-L223 CarbonylContact O-C 3.56Å; M220-L223 WeakPolarHBondContact O-CB 3.5Å; M220-L223 PolarHBondContact O-N 3.29Å; M220-L223 VanDerWaalsContact O-N 3.16Å; M220-L223 HydrophobicContact SD-CD2 4.18Å; Q221-L223 PolarHBondContact O-N 3.39Å; L223-N227 VanDerWaalsContact O-CB 3.26Å; L223-N227 WeakPolarHBondContact O-CB 3.17Å; L223-N227 PolarHBondContact O-N 2.73Å; L223-I230 HydrophobicContact CD1-CD1 3.72Å; L223-I230 HydrophobicContact CD2-CD1 3.87Å; L223-I230 HydrophobicContact CG-CD1 3.59Å; L223-I230 HydrophobicContact CG-CG2 4.45Å |
| 224 | M | 71.2 | Confident | 73 | Confident | 38 Ų | 38 | 79.2 Ų | 79.2 | 19% | 0.187 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -70.1 | -36.8 | 172.9 | -70.6 | 174.2 | 70.7 | 0 | 0 | 112.4 | I214 M220 Q221 I230 L234 | I214-M224 HydrophobicContact CG2-SD 3.8Å; M220-M224 VanDerWaalsContact O-CG 3.3Å; M220-M224 WeakPolarHBondContact O-CG 3.43Å; M220-M224 PolarHBondContact O-N 2.82Å; Q221-M224 WeakPolarHBondContact O-CA 3.36Å; Q221-M224 WeakPolarHBondContact O-CB 3.14Å; Q221-M224 PolarHBondContact O-N 2.74Å; M224-I230 HydrophobicContact CG-CG2 4.34Å; M224-L234 HydrophobicContact CE-CD1 4.07Å; M224-L234 HydrophobicContact CG-CD1 3.49Å; M224-L234 VanDerWaalsContact CG-CD1 3.49Å; M224-L234 HydrophobicContact SD-CD1 3.63Å |
| 225 | E | 74 | Confident | 73.3 | Confident | 153 Ų | 153 | 83.3 Ų | 83.3 | 72% | 0.715 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -69.1 | -41.7 | 174.3 | -68.5 | 173.1 | 105.7 | 0 | 0 | 111.6 | Q221 Q222 | Q221-E225 WeakPolarHBondContact O-CG 3.13Å; Q221-E225 PolarHBondContact O-N 2.93Å; Q222-E225 WeakPolarHBondContact CA-OE2 3.21Å; Q222-E225 PolarHBondContact O-N 3.47Å |
| 226 | R | 75.5 | Confident | 73.6 | Confident | 156 Ų | 156 | 82.1 Ų | 82.1 | 59% | 0.589 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -76.9 | -22.6 | 179.8 | -69.5 | -170.7 | 85 | 92.1 | 17.2 | 114.1 | Q222 | Q222-R226 WeakPolarHBondContact O-CB 3.25Å; Q222-R226 WeakPolarHBondContact O-CG 3.15Å; Q222-R226 PolarHBondContact O-N 3.39Å |
| 227 | N | 66.7 | Low | 73.2 | Confident | 59 Ų | 59 | 81.3 Ų | 81.3 | 32% | 0.316 | 41% | 0.41 | S | S | . | . | trans | -136.1 | 96.1 | -170.2 | -133.8 | -26.4 | 0 | 0 | 0 | 111.7 | L223 E229 I230 S231 | L223-N227 VanDerWaalsContact O-CB 3.26Å; L223-N227 WeakPolarHBondContact O-CB 3.17Å; L223-N227 PolarHBondContact O-N 2.73Å; N227-E229 PolarHBondContact O-N 3.44Å; N227-I230 HydrophobicContact CB-CB 4.17Å; N227-I230 HydrophobicContact CB-CD1 3.87Å; N227-I230 HydrophobicContact CB-CG1 4.05Å; N227-I230 WeakPolarHBondContact O-CB 3.21Å; N227-I230 PolarHBondContact O-N 2.94Å; N227-S231 PolarHBondContact O-N 2.98Å | ||
| 228 | P | 78.6 | Confident | 73.7 | Confident | 82 Ų | 82 | 84.5 Ų | 84.5 | 53% | 0.532 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.6 | -26.6 | -176.3 | 26.3 | -34.2 | 0 | 0 | 0 | 112.4 | I230 S231 H232 | P228-I230 VanDerWaalsContact C-N 3.3Å; P228-I230 PolarHBondContact O-N 2.79Å; P228-S231 WeakPolarHBondContact O-CB 3.35Å; P228-S231 PolarHBondContact O-N 3.36Å; P228-H232 PolarHBondContact O-N 3.3Å; P228-H232 PolarHBondContact O-ND1 3.22Å |
| 229 | E | 76.6 | Confident | 73.6 | Confident | 154 Ų | 154 | 83.4 Ų | 83.4 | 72% | 0.72 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.5 | -37.7 | 173.4 | -60.9 | -164.9 | 113 | 0 | 0 | 112 | N227 H232 M233 | N227-E229 PolarHBondContact O-N 3.44Å; E229-H232 PolarHBondContact O-N 3.12Å; E229-M233 PolarHBondContact O-N 2.92Å |
| 230 | I | 68.3 | Low | 73.2 | Confident | 33 Ų | 33 | 79.2 Ų | 79.2 | 17% | 0.169 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.5 | -41 | 175.2 | -67.2 | 178.3 | 0 | 0 | 0 | 109.7 | L223 M224 N227 P228 H232 M233 L234 | L223-I230 HydrophobicContact CD1-CD1 3.72Å; L223-I230 HydrophobicContact CD2-CD1 3.87Å; L223-I230 HydrophobicContact CG-CD1 3.59Å; L223-I230 HydrophobicContact CG-CG2 4.45Å; M224-I230 HydrophobicContact CG-CG2 4.34Å; N227-I230 HydrophobicContact CB-CB 4.17Å; N227-I230 HydrophobicContact CB-CD1 3.87Å; N227-I230 HydrophobicContact CB-CG1 4.05Å; N227-I230 WeakPolarHBondContact O-CB 3.21Å; N227-I230 PolarHBondContact O-N 2.94Å; P228-I230 VanDerWaalsContact C-N 3.3Å; P228-I230 PolarHBondContact O-N 2.79Å; I230-H232 VanDerWaalsContact C-N 3.29Å; I230-H232 PolarHBondContact O-N 2.86Å; I230-M233 HydrophobicContact CG2-CE 4.4Å; I230-M233 PolarHBondContact O-N 2.83Å; I230-L234 HydrophobicContact CG2-CD1 3.51Å; I230-L234 HydrophobicContact CG2-CG 4.17Å; I230-L234 WeakPolarHBondContact O-CB 3.2Å; I230-L234 WeakPolarHBondContact O-CD1 3.35Å; I230-L234 WeakPolarHBondContact O-CG 3.45Å; I230-L234 PolarHBondContact O-N 3.43Å |
| 231 | S | 71.4 | Confident | 73.3 | Confident | 38 Ų | 38 | 83.5 Ų | 83.5 | 27% | 0.266 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -57.1 | -40.7 | 170.8 | -170.5 | 0 | 0 | 0 | 0 | 112.5 | N227 P228 L234 N235 | N227-S231 PolarHBondContact O-N 2.98Å; P228-S231 WeakPolarHBondContact O-CB 3.35Å; P228-S231 PolarHBondContact O-N 3.36Å; S231-L234 PolarHBondContact O-N 2.98Å; S231-N235 WeakPolarHBondContact O-CB 3.44Å; S231-N235 PolarHBondContact O-N 2.78Å; S231-N235 PolarHBondContact O-ND2 3.25Å |
| 232 | H | 76.8 | Confident | 73.4 | Confident | 122 Ų | 122 | 84.6 Ų | 84.6 | 57% | 0.565 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -67.6 | -40.2 | 174.6 | -72.5 | 86.1 | 0 | 0 | 0 | 113.1 | P228 E229 I230 L234 N235 N236 | P228-H232 PolarHBondContact O-N 3.3Å; P228-H232 PolarHBondContact O-ND1 3.22Å; E229-H232 PolarHBondContact O-N 3.12Å; I230-H232 VanDerWaalsContact C-N 3.29Å; I230-H232 PolarHBondContact O-N 2.86Å; H232-L234 VanDerWaalsContact C-N 3.31Å; H232-L234 PolarHBondContact O-N 3.08Å; H232-N235 PolarHBondContact O-N 3.06Å; H232-N236 WeakPolarHBondContact O-CB 3.19Å; H232-N236 PolarHBondContact O-N 2.75Å |
| 233 | M | 70.1 | Confident | 73.1 | Confident | 52 Ų | 52 | 81.6 Ų | 81.6 | 26% | 0.256 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.8 | -38.4 | 175.5 | -177.7 | -176.9 | 72.9 | 0 | 0 | 112.5 | E229 I230 N236 L239 T243 | E229-M233 PolarHBondContact O-N 2.92Å; I230-M233 HydrophobicContact CG2-CE 4.4Å; I230-M233 PolarHBondContact O-N 2.83Å; M233-N236 VanDerWaalsContact O-O 3.12Å; M233-L239 HydrophobicContact CB-CD2 4.29Å; M233-L239 HydrophobicContact CB-CG 4.38Å; M233-L239 HydrophobicContact CG-CG 4.23Å; M233-T243 HydrophobicContact SD-CG2 3.84Å |
| 234 | L | 68.8 | Low | 73 | Confident | 10 Ų | 10 | 79.7 Ų | 79.7 | 5% | 0.052 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -84 | -27.1 | -176.3 | -61.5 | 168.3 | 0 | 0 | 0 | 112.9 | R211 I214 M224 I230 S231 H232 M240 | R211-L234 PolarHBondContact NE-O 3.2Å; I214-L234 HydrophobicContact CD1-CD2 3.4Å; I214-L234 VanDerWaalsContact CD1-CD2 3.4Å; I214-L234 HydrophobicContact CG1-CD2 4.09Å; I214-L234 HydrophobicContact CG2-CD1 3.63Å; I214-L234 HydrophobicContact CG2-CD2 3.99Å; I214-L234 HydrophobicContact CG2-CG 4.27Å; M224-L234 HydrophobicContact CE-CD1 4.07Å; M224-L234 HydrophobicContact CG-CD1 3.49Å; M224-L234 VanDerWaalsContact CG-CD1 3.49Å; M224-L234 HydrophobicContact SD-CD1 3.63Å; I230-L234 HydrophobicContact CG2-CD1 3.51Å; I230-L234 HydrophobicContact CG2-CG 4.17Å; I230-L234 WeakPolarHBondContact O-CB 3.2Å; I230-L234 WeakPolarHBondContact O-CD1 3.35Å; I230-L234 WeakPolarHBondContact O-CG 3.45Å; I230-L234 PolarHBondContact O-N 3.43Å; S231-L234 PolarHBondContact O-N 2.98Å; H232-L234 VanDerWaalsContact C-N 3.31Å; H232-L234 PolarHBondContact O-N 3.08Å; L234-M240 HydrophobicContact CD2-CE 3.51Å |
| 235 | N | 76.3 | Confident | 72.9 | Confident | 99 Ų | 99 | 83.9 Ų | 83.9 | 53% | 0.529 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -73.9 | -41.8 | 170.8 | -83.9 | -81.5 | 0 | 0 | 0 | 111.9 | R211 S231 H232 P237 | R211-N235 PolarHBondContact NH2-O 3.1Å; S231-N235 WeakPolarHBondContact O-CB 3.44Å; S231-N235 PolarHBondContact O-N 2.78Å; S231-N235 PolarHBondContact O-ND2 3.25Å; H232-N235 PolarHBondContact O-N 3.06Å; N235-P237 VanDerWaalsContact O-CD 3.26Å; N235-P237 WeakPolarHBondContact O-CD 3.34Å |
| 236 | N | 80.3 | Confident | 72.7 | Confident | 87 Ų | 87 | 77.7 Ų | 77.7 | 47% | 0.465 | 38% | 0.381 | S | S | . | . | trans | -83.9 | 105.6 | 179.6 | -81.1 | -35.4 | 0 | 0 | 0 | 112.3 | H232 M233 E238 L239 M240 | H232-N236 WeakPolarHBondContact O-CB 3.19Å; H232-N236 PolarHBondContact O-N 2.75Å; M233-N236 VanDerWaalsContact O-O 3.12Å; N236-E238 PolarHBondContact O-N 2.92Å; N236-L239 HydrophobicContact CB-CB 3.66Å; N236-L239 PolarHBondContact O-N 3.12Å; N236-L239 VanDerWaalsContact O-N 3.07Å; N236-M240 PolarHBondContact O-N 3.14Å | ||
| 237 | P | 71.4 | Confident | 72.1 | Confident | 47 Ų | 47 | 71.9 Ų | 71.9 | 31% | 0.305 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.3 | -28.9 | -178.5 | 29.2 | -34.9 | 0 | 0 | 0 | 112.5 | P207 N235 M240 R241 | P207-P237 HydrophobicContact CB-CB 4.41Å; N235-P237 VanDerWaalsContact O-CD 3.26Å; N235-P237 WeakPolarHBondContact O-CD 3.34Å; P237-M240 WeakPolarHBondContact O-CB 3.38Å; P237-R241 WeakPolarHBondContact O-CB 3.28Å; P237-R241 VanDerWaalsContact O-CG 3.31Å; P237-R241 WeakPolarHBondContact O-CG 3.42Å; P237-R241 PolarHBondContact O-N 3.02Å |
| 238 | E | 80.9 | Confident | 72 | Confident | 120 Ų | 120 | 77.6 Ų | 77.6 | 56% | 0.561 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -73.7 | -29.2 | 175.7 | -65.1 | -65.4 | 99.6 | 0 | 0 | 112.7 | N236 R241 Q242 | N236-E238 PolarHBondContact O-N 2.92Å; E238-R241 WeakPolarHBondContact OE1-CD 3.27Å; E238-R241 IonicContact OE1-CZ 2.67Å; E238-R241 IonicContact OE1-NE 3.41Å; E238-R241 IonicContact OE1-NH1 3.92Å; E238-R241 PolarHBondContact OE1-NH1 3.09Å; E238-Q242 WeakPolarHBondContact O-CB 3.39Å; E238-Q242 PolarHBondContact O-N 2.81Å |
| 239 | L | 75.4 | Confident | 71.4 | Confident | 62 Ų | 62 | 77.1 Ų | 77.1 | 33% | 0.325 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -77.5 | -39.8 | 172.4 | -177.6 | 52.2 | 0 | 0 | 0 | 110.4 | M233 N236 R241 Q242 T243 | M233-L239 HydrophobicContact CB-CD2 4.29Å; M233-L239 HydrophobicContact CB-CG 4.38Å; M233-L239 HydrophobicContact CG-CG 4.23Å; N236-L239 HydrophobicContact CB-CB 3.66Å; N236-L239 PolarHBondContact O-N 3.12Å; N236-L239 VanDerWaalsContact O-N 3.07Å; L239-R241 VanDerWaalsContact C-N 3.31Å; L239-R241 PolarHBondContact O-N 2.95Å; L239-Q242 PolarHBondContact O-N 2.88Å; L239-Q242 VanDerWaalsContact O-N 3.16Å; L239-T243 PolarHBondContact O-N 3.32Å; L239-T243 PolarHBondContact O-OG1 3.19Å |
| 240 | M | 67.7 | Low | 71.1 | Confident | 10 Ų | 10 | 73.8 Ų | 73.8 | 5% | 0.049 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -54.6 | -47.6 | 169.5 | -143.8 | -173.5 | -151.5 | 0 | 0 | 111 | P207 M210 R211 I214 L234 N236 P237 T243 M244 | P207-M240 HydrophobicContact CB-SD 4.36Å; M210-M240 HydrophobicContact CB-CE 3.95Å; M210-M240 HydrophobicContact CB-SD 4.33Å; M210-M240 HydrophobicContact CG-CE 4.12Å; M210-M240 HydrophobicContact SD-CE 3.59Å; M210-M240 VanDerWaalsContact SD-CE 3.59Å; M210-M240 HydrophobicContact SD-CG 4.02Å; M210-M240 HydrophobicContact SD-SD 3.81Å; R211-M240 HydrophobicContact CG-CE 4.21Å; I214-M240 HydrophobicContact CD1-CE 3.46Å; I214-M240 VanDerWaalsContact CD1-CE 3.46Å; L234-M240 HydrophobicContact CD2-CE 3.51Å; N236-M240 PolarHBondContact O-N 3.14Å; P237-M240 WeakPolarHBondContact O-CB 3.38Å; M240-T243 PolarHBondContact O-N 2.92Å; M240-M244 WeakPolarHBondContact O-CB 3.39Å; M240-M244 PolarHBondContact O-N 2.96Å |
| 241 | R | 71.4 | Confident | 71.5 | Confident | 143 Ų | 143 | 75 Ų | 75 | 54% | 0.54 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.1 | -45 | 172.4 | -82.4 | 169.2 | 160.4 | -176.5 | -8 | 112.7 | P237 E238 L239 M244 E245 | P237-R241 WeakPolarHBondContact O-CB 3.28Å; P237-R241 VanDerWaalsContact O-CG 3.31Å; P237-R241 WeakPolarHBondContact O-CG 3.42Å; P237-R241 PolarHBondContact O-N 3.02Å; E238-R241 WeakPolarHBondContact OE1-CD 3.27Å; E238-R241 IonicContact OE1-CZ 2.67Å; E238-R241 IonicContact OE1-NE 3.41Å; E238-R241 IonicContact OE1-NH1 3.92Å; E238-R241 PolarHBondContact OE1-NH1 3.09Å; L239-R241 VanDerWaalsContact C-N 3.31Å; L239-R241 PolarHBondContact O-N 2.95Å; R241-M244 CarbonylContact O-C 3.6Å; R241-M244 WeakPolarHBondContact O-CB 3.38Å; R241-M244 PolarHBondContact O-N 3.29Å; R241-E245 VanDerWaalsContact O-CB 3.26Å; R241-E245 WeakPolarHBondContact O-CB 3.31Å; R241-E245 PolarHBondContact O-N 2.99Å |
| 242 | Q | 74.9 | Confident | 71.2 | Confident | 119 Ų | 119 | 76.2 Ų | 76.2 | 56% | 0.556 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.7 | -44.4 | 178.9 | -165.4 | -178.1 | 137.3 | 0 | 0 | 112.3 | E238 L239 M244 E245 L246 | E238-Q242 WeakPolarHBondContact O-CB 3.39Å; E238-Q242 PolarHBondContact O-N 2.81Å; L239-Q242 PolarHBondContact O-N 2.88Å; L239-Q242 VanDerWaalsContact O-N 3.16Å; Q242-M244 VanDerWaalsContact C-N 3.28Å; Q242-M244 PolarHBondContact O-N 3.43Å; Q242-E245 PolarHBondContact O-N 3.01Å; Q242-L246 VanDerWaalsContact O-CB 3.27Å; Q242-L246 WeakPolarHBondContact O-CB 3.09Å; Q242-L246 PolarHBondContact O-N 3.16Å |
| 243 | T | 71.1 | Confident | 70.4 | Confident | 56 Ų | 56 | 74.2 Ų | 74.2 | 34% | 0.344 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.4 | -35.8 | 173.9 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | M233 L239 M240 L246 A247 | M233-T243 HydrophobicContact SD-CG2 3.84Å; L239-T243 PolarHBondContact O-N 3.32Å; L239-T243 PolarHBondContact O-OG1 3.19Å; M240-T243 PolarHBondContact O-N 2.92Å; T243-L246 WeakPolarHBondContact O-CB 3.21Å; T243-A247 WeakPolarHBondContact O-CB 3.13Å; T243-A247 PolarHBondContact O-N 2.72Å |
| 244 | M | 65.6 | Low | 70.4 | Confident | 33 Ų | 33 | 76.9 Ų | 76.9 | 16% | 0.163 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -75.4 | -34.5 | 177.8 | 179.9 | 177.5 | -68.3 | 0 | 0 | 113.2 | M204 M210 M240 R241 Q242 A247 R248 | M204-M244 VanDerWaalsContact C-SD 3.54Å; M204-M244 HydrophobicContact CB-CE 3.5Å; M204-M244 VanDerWaalsContact CB-CE 3.5Å; M204-M244 HydrophobicContact CB-CG 4.48Å; M204-M244 HydrophobicContact CB-SD 3.62Å; M204-M244 HydrophobicContact CG-CE 3.85Å; M204-M244 HydrophobicContact CG-SD 4.46Å; M204-M244 WeakPolarHBondContact O-CE 3.47Å; M210-M244 HydrophobicContact CE-CE 3.51Å; M210-M244 HydrophobicContact SD-CE 3.35Å; M210-M244 WeakPolarHBondContact SD-CE 3.26Å; M240-M244 WeakPolarHBondContact O-CB 3.39Å; M240-M244 PolarHBondContact O-N 2.96Å; R241-M244 CarbonylContact O-C 3.6Å; R241-M244 WeakPolarHBondContact O-CB 3.38Å; R241-M244 PolarHBondContact O-N 3.29Å; Q242-M244 VanDerWaalsContact C-N 3.28Å; Q242-M244 PolarHBondContact O-N 3.43Å; M244-A247 PolarHBondContact O-N 3.44Å; M244-R248 WeakPolarHBondContact O-CB 2.94Å; M244-R248 PolarHBondContact O-N 3.07Å |
| 245 | E | 69.5 | Low | 70.5 | Confident | 127 Ų | 127 | 82.3 Ų | 82.3 | 59% | 0.593 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -69.8 | -40.1 | 173.7 | -167.8 | 169.3 | 111.6 | 0 | 0 | 110.1 | R241 Q242 R248 N249 | R241-E245 VanDerWaalsContact O-CB 3.26Å; R241-E245 WeakPolarHBondContact O-CB 3.31Å; R241-E245 PolarHBondContact O-N 2.99Å; Q242-E245 PolarHBondContact O-N 3.01Å; E245-R248 PolarHBondContact O-N 2.87Å; E245-N249 WeakPolarHBondContact O-CB 3.41Å; E245-N249 PolarHBondContact O-N 2.85Å |
| 246 | L | 69.1 | Low | 70 | Confident | 22 Ų | 22 | 81.5 Ų | 81.5 | 12% | 0.115 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -58.8 | -42.8 | 167.8 | 173.5 | 69 | 0 | 0 | 0 | 112.6 | Q242 T243 N249 M252 M253 M256 | Q242-L246 VanDerWaalsContact O-CB 3.27Å; Q242-L246 WeakPolarHBondContact O-CB 3.09Å; Q242-L246 PolarHBondContact O-N 3.16Å; T243-L246 WeakPolarHBondContact O-CB 3.21Å; L246-N249 CarbonylContact O-C 3.55Å; L246-N249 VanDerWaalsContact O-O 3.08Å; L246-M252 HydrophobicContact CB-CE 4.45Å; L246-M252 HydrophobicContact CB-SD 4.18Å; L246-M252 HydrophobicContact CD1-CB 4.28Å; L246-M252 HydrophobicContact CD1-CE 4.32Å; L246-M252 HydrophobicContact CD1-CG 3.76Å; L246-M252 HydrophobicContact CD1-SD 4.18Å; L246-M253 HydrophobicContact CD1-CB 4.22Å; L246-M253 HydrophobicContact CG-CE 4.5Å; L246-M256 HydrophobicContact CD1-CB 3.98Å; L246-M256 HydrophobicContact CD1-CE 3.8Å; L246-M256 HydrophobicContact CD1-SD 3.93Å; L246-M256 HydrophobicContact CD2-CE 3.7Å; L246-M256 HydrophobicContact CD2-SD 3.63Å; L246-M256 HydrophobicContact CG-CE 4.39Å; L246-M256 HydrophobicContact CG-SD 4.44Å |
| 247 | A | 63.3 | Low | 68.9 | Low | 35 Ų | 35 | 83 Ų | 83 | 29% | 0.289 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -73.5 | -38.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | M195 T243 M244 N249 | M195-A247 HydrophobicContact CE-CB 4Å; M195-A247 HydrophobicContact SD-CB 4.4Å; T243-A247 WeakPolarHBondContact O-CB 3.13Å; T243-A247 PolarHBondContact O-N 2.72Å; M244-A247 PolarHBondContact O-N 3.44Å; A247-N249 VanDerWaalsContact C-N 3.32Å |
| 248 | R | 63.8 | Low | 69 | Low | 179 Ų | 179 | 88.3 Ų | 88.3 | 68% | 0.675 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -71.6 | -25.2 | 176 | 175.2 | 177.6 | 168.3 | 171 | -0.6 | 112.7 | M244 E245 P250 | M244-R248 WeakPolarHBondContact O-CB 2.94Å; M244-R248 PolarHBondContact O-N 3.07Å; E245-R248 PolarHBondContact O-N 2.87Å; R248-P250 WeakPolarHBondContact O-CD 3.45Å |
| 249 | N | 67.6 | Low | 68.9 | Low | 72 Ų | 72 | 87.8 Ų | 87.8 | 39% | 0.385 | 43% | 0.43 | S | S | . | . | trans | -105 | 86.2 | 178.2 | -172.3 | -8.8 | 0 | 0 | 0 | 109.5 | E245 L246 A247 A251 M252 M253 | E245-N249 WeakPolarHBondContact O-CB 3.41Å; E245-N249 PolarHBondContact O-N 2.85Å; L246-N249 CarbonylContact O-C 3.55Å; L246-N249 VanDerWaalsContact O-O 3.08Å; A247-N249 VanDerWaalsContact C-N 3.32Å; N249-A251 PolarHBondContact O-N 2.9Å; N249-A251 VanDerWaalsContact O-N 3.1Å; N249-A251 WeakPolarHBondContact OD1-CB 3.44Å; N249-A251 PolarHBondContact OD1-N 2.78Å; N249-M252 HydrophobicContact CB-CB 3.78Å; N249-M252 CarbonylContact O-C 3.53Å; N249-M252 WeakPolarHBondContact O-CA 3Å; N249-M252 WeakPolarHBondContact O-CB 3.39Å; N249-M252 PolarHBondContact O-N 3.36Å; N249-M252 PolarHBondContact OD1-N 3.18Å; N249-M252 VanDerWaalsContact OD1-N 3.12Å; N249-M253 PolarHBondContact O-N 3.39Å | ||
| 250 | P | 69 | Low | 68.5 | Low | 83 Ų | 83 | 90.2 Ų | 90.2 | 54% | 0.539 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61 | -22.5 | 179.5 | 25.4 | -35.2 | 0 | 0 | 0 | 112.4 | R248 Q254 | R248-P250 WeakPolarHBondContact O-CD 3.45Å; P250-Q254 VanDerWaalsContact O-CB 3.28Å; P250-Q254 WeakPolarHBondContact O-CB 3.34Å; P250-Q254 WeakPolarHBondContact O-CG 3.45Å; P250-Q254 PolarHBondContact O-N 3.16Å |
| 251 | A | 77.1 | Confident | 68.4 | Low | 59 Ų | 59 | 95 Ų | 95 | 49% | 0.488 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70.8 | -35.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N249 Q254 E255 | N249-A251 PolarHBondContact O-N 2.9Å; N249-A251 VanDerWaalsContact O-N 3.1Å; N249-A251 WeakPolarHBondContact OD1-CB 3.44Å; N249-A251 PolarHBondContact OD1-N 2.78Å; A251-Q254 PolarHBondContact O-N 2.72Å; A251-E255 VanDerWaalsContact O-CB 3.27Å; A251-E255 WeakPolarHBondContact O-CB 3.43Å; A251-E255 PolarHBondContact O-N 2.79Å |
| 252 | M | 65 | Low | 68.4 | Low | 64 Ų | 64 | 97.2 Ų | 97.2 | 32% | 0.315 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -71.6 | -36.1 | 171 | -171.4 | -175.3 | 176.2 | 0 | 0 | 112.2 | L246 N249 E255 M256 | L246-M252 HydrophobicContact CB-CE 4.45Å; L246-M252 HydrophobicContact CB-SD 4.18Å; L246-M252 HydrophobicContact CD1-CB 4.28Å; L246-M252 HydrophobicContact CD1-CE 4.32Å; L246-M252 HydrophobicContact CD1-CG 3.76Å; L246-M252 HydrophobicContact CD1-SD 4.18Å; N249-M252 HydrophobicContact CB-CB 3.78Å; N249-M252 CarbonylContact O-C 3.53Å; N249-M252 WeakPolarHBondContact O-CA 3Å; N249-M252 WeakPolarHBondContact O-CB 3.39Å; N249-M252 PolarHBondContact O-N 3.36Å; N249-M252 PolarHBondContact OD1-N 3.18Å; N249-M252 VanDerWaalsContact OD1-N 3.12Å; M252-E255 PolarHBondContact O-N 3.49Å; M252-M256 VanDerWaalsContact O-CB 3.25Å; M252-M256 WeakPolarHBondContact O-CB 3.32Å; M252-M256 PolarHBondContact O-N 3.32Å |
| 253 | M | 59.3 | Low | 68.1 | Low | 80 Ų | 80 | 93.7 Ų | 93.7 | 39% | 0.394 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68 | -36 | 170.6 | -177.4 | 170 | -78.6 | 0 | 0 | 111.5 | L246 N249 M257 | L246-M253 HydrophobicContact CD1-CB 4.22Å; L246-M253 HydrophobicContact CG-CE 4.5Å; N249-M253 PolarHBondContact O-N 3.39Å; M253-M257 HydrophobicContact CG-CE 4.29Å; M253-M257 HydrophobicContact CG-CG 4.45Å; M253-M257 HydrophobicContact CG-SD 4.45Å; M253-M257 VanDerWaalsContact O-CB 3.26Å; M253-M257 WeakPolarHBondContact O-CB 3.35Å; M253-M257 VanDerWaalsContact O-CG 3.28Å; M253-M257 WeakPolarHBondContact O-CG 3.26Å; M253-M257 PolarHBondContact O-N 2.88Å; M253-M257 HydrophobicContact SD-CE 4.29Å |
| 254 | Q | 70.8 | Confident | 67.5 | Low | 107 Ų | 107 | 95.2 Ų | 95.2 | 50% | 0.5 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70 | -33.3 | 172.1 | -75.6 | 174.4 | 21.2 | 0 | 0 | 112.7 | P250 A251 R258 | P250-Q254 VanDerWaalsContact O-CB 3.28Å; P250-Q254 WeakPolarHBondContact O-CB 3.34Å; P250-Q254 WeakPolarHBondContact O-CG 3.45Å; P250-Q254 PolarHBondContact O-N 3.16Å; A251-Q254 PolarHBondContact O-N 2.72Å; Q254-R258 VanDerWaalsContact O-CB 3.23Å; Q254-R258 WeakPolarHBondContact O-CB 3.26Å; Q254-R258 VanDerWaalsContact O-CG 3.23Å; Q254-R258 WeakPolarHBondContact O-CG 3.25Å; Q254-R258 PolarHBondContact O-N 3.21Å |
| 255 | E | 70.8 | Confident | 67.1 | Low | 125 Ų | 125 | 97.1 Ų | 97.1 | 58% | 0.584 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -74.2 | -37.7 | 174.5 | -162.5 | 63.2 | -158 | 0 | 0 | 110.7 | A251 M252 R258 N259 | A251-E255 VanDerWaalsContact O-CB 3.27Å; A251-E255 WeakPolarHBondContact O-CB 3.43Å; A251-E255 PolarHBondContact O-N 2.79Å; M252-E255 PolarHBondContact O-N 3.49Å; E255-R258 PolarHBondContact O-N 2.97Å; E255-N259 WeakPolarHBondContact O-CB 3.26Å; E255-N259 PolarHBondContact O-N 3.24Å |
| 256 | M | 66.6 | Low | 66.7 | Low | 81 Ų | 81 | 96.4 Ų | 96.4 | 40% | 0.399 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.5 | -42.9 | 170.8 | -176.9 | 175.4 | -72.7 | 0 | 0 | 110.9 | L246 M252 N259 Q260 | L246-M256 HydrophobicContact CD1-CB 3.98Å; L246-M256 HydrophobicContact CD1-CE 3.8Å; L246-M256 HydrophobicContact CD1-SD 3.93Å; L246-M256 HydrophobicContact CD2-CE 3.7Å; L246-M256 HydrophobicContact CD2-SD 3.63Å; L246-M256 HydrophobicContact CG-CE 4.39Å; L246-M256 HydrophobicContact CG-SD 4.44Å; M252-M256 VanDerWaalsContact O-CB 3.25Å; M252-M256 WeakPolarHBondContact O-CB 3.32Å; M252-M256 PolarHBondContact O-N 3.32Å; M256-N259 PolarHBondContact O-N 3.16Å; M256-Q260 WeakPolarHBondContact O-CA 3.27Å; M256-Q260 WeakPolarHBondContact O-CB 3.19Å; M256-Q260 PolarHBondContact O-N 3.44Å |
| 257 | M | 55.8 | Low | 66.1 | Low | 120 Ų | 120 | 99.6 Ų | 99.6 | 59% | 0.591 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63 | -41.8 | 172.1 | -78.9 | -177.8 | 172.7 | 0 | 0 | 110.8 | M253 D261 | M253-M257 HydrophobicContact CG-CE 4.29Å; M253-M257 HydrophobicContact CG-CG 4.45Å; M253-M257 HydrophobicContact CG-SD 4.45Å; M253-M257 VanDerWaalsContact O-CB 3.26Å; M253-M257 WeakPolarHBondContact O-CB 3.35Å; M253-M257 VanDerWaalsContact O-CG 3.28Å; M253-M257 WeakPolarHBondContact O-CG 3.26Å; M253-M257 PolarHBondContact O-N 2.88Å; M253-M257 HydrophobicContact SD-CE 4.29Å; M257-D261 WeakPolarHBondContact O-CA 3.3Å; M257-D261 WeakPolarHBondContact O-CB 3.49Å; M257-D261 PolarHBondContact O-N 2.86Å |
| 258 | R | 75.4 | Confident | 65.8 | Low | 158 Ų | 158 | 105.6 Ų | 105.6 | 60% | 0.596 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.7 | -37.5 | 175.2 | -82.9 | 176.9 | 154.5 | 100.8 | 3.2 | 113.4 | Q254 E255 R262 | Q254-R258 VanDerWaalsContact O-CB 3.23Å; Q254-R258 WeakPolarHBondContact O-CB 3.26Å; Q254-R258 VanDerWaalsContact O-CG 3.23Å; Q254-R258 WeakPolarHBondContact O-CG 3.25Å; Q254-R258 PolarHBondContact O-N 3.21Å; E255-R258 PolarHBondContact O-N 2.97Å; R258-R262 WeakPolarHBondContact O-CB 3.28Å; R258-R262 PolarHBondContact O-N 3.39Å |
| 259 | N | 77.2 | Confident | 66 | Low | 109 Ų | 109 | 101.2 Ų | 101.2 | 58% | 0.583 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -80.3 | -35.3 | -179.5 | -167.5 | 27.7 | 0 | 0 | 0 | 111.4 | E255 M256 A263 | E255-N259 WeakPolarHBondContact O-CB 3.26Å; E255-N259 PolarHBondContact O-N 3.24Å; M256-N259 PolarHBondContact O-N 3.16Å; N259-A263 WeakPolarHBondContact O-CB 3.43Å; N259-A263 PolarHBondContact O-N 2.96Å |
| 260 | Q | 67.6 | Low | 65.5 | Low | 113 Ų | 113 | 100.9 Ų | 100.9 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -73 | -39.5 | 172.5 | -171.3 | 177.4 | 100.1 | 0 | 0 | 111.1 | M256 A263 L264 | M256-Q260 WeakPolarHBondContact O-CA 3.27Å; M256-Q260 WeakPolarHBondContact O-CB 3.19Å; M256-Q260 PolarHBondContact O-N 3.44Å; Q260-A263 CarbonylContact O-C 3.53Å; Q260-A263 PolarHBondContact O-N 3.35Å; Q260-L264 HydrophobicContact CG-CD1 3.96Å; Q260-L264 HydrophobicContact CG-CG 4.28Å; Q260-L264 WeakPolarHBondContact O-CA 3.3Å; Q260-L264 WeakPolarHBondContact O-CB 3.47Å; Q260-L264 WeakPolarHBondContact O-CG 3.34Å; Q260-L264 PolarHBondContact O-N 3.49Å |
| 261 | D | 65.6 | Low | 64.3 | Low | 110 Ų | 110 | 103.4 Ų | 103.4 | 59% | 0.588 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.8 | -41.5 | 172.1 | -177.4 | -99.4 | 0 | 0 | 0 | 111 | M257 A263 L264 S265 | M257-D261 WeakPolarHBondContact O-CA 3.3Å; M257-D261 WeakPolarHBondContact O-CB 3.49Å; M257-D261 PolarHBondContact O-N 2.86Å; D261-A263 VanDerWaalsContact C-N 3.33Å; D261-A263 PolarHBondContact O-N 2.93Å; D261-L264 PolarHBondContact O-N 3.07Å; D261-S265 VanDerWaalsContact O-CB 3.23Å; D261-S265 WeakPolarHBondContact O-CB 3.45Å; D261-S265 PolarHBondContact O-N 2.97Å |
| 262 | R | 71.8 | Confident | 63.4 | Low | 190 Ų | 190 | 102.4 Ų | 102.4 | 72% | 0.717 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.1 | -41.9 | 169.1 | -177.5 | 175.4 | -66.5 | -165.8 | -0.1 | 111.8 | R258 N266 | R258-R262 WeakPolarHBondContact O-CB 3.28Å; R258-R262 PolarHBondContact O-N 3.39Å; R262-N266 WeakPolarHBondContact O-CB 3.09Å; R262-N266 PolarHBondContact O-N 2.9Å |
| 263 | A | 67.6 | Low | 63.2 | Low | 45 Ų | 45 | 99.9 Ų | 99.9 | 37% | 0.372 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70.7 | -34.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | N259 Q260 D261 N266 L267 | N259-A263 WeakPolarHBondContact O-CB 3.43Å; N259-A263 PolarHBondContact O-N 2.96Å; Q260-A263 CarbonylContact O-C 3.53Å; Q260-A263 PolarHBondContact O-N 3.35Å; D261-A263 VanDerWaalsContact C-N 3.33Å; D261-A263 PolarHBondContact O-N 2.93Å; A263-N266 CarbonylContact O-C 3.56Å; A263-N266 PolarHBondContact O-N 3.45Å; A263-L267 VanDerWaalsContact O-CB 3.27Å; A263-L267 WeakPolarHBondContact O-CB 3.26Å; A263-L267 WeakPolarHBondContact O-CD1 3.46Å; A263-L267 WeakPolarHBondContact O-CG 3.43Å; A263-L267 PolarHBondContact O-N 3.18Å |
| 264 | L | 58.5 | Low | 63.1 | Low | 87 Ų | 87 | 104 Ų | 104 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -72.7 | -44.3 | 178.1 | -78.8 | 168.8 | 0 | 0 | 0 | 110.7 | Q260 D261 N266 L267 E268 | Q260-L264 HydrophobicContact CG-CD1 3.96Å; Q260-L264 HydrophobicContact CG-CG 4.28Å; Q260-L264 WeakPolarHBondContact O-CA 3.3Å; Q260-L264 WeakPolarHBondContact O-CB 3.47Å; Q260-L264 WeakPolarHBondContact O-CG 3.34Å; Q260-L264 PolarHBondContact O-N 3.49Å; D261-L264 PolarHBondContact O-N 3.07Å; L264-N266 VanDerWaalsContact C-N 3.29Å; L264-N266 PolarHBondContact O-N 3.45Å; L264-L267 CarbonylContact O-C 3.56Å; L264-L267 WeakPolarHBondContact O-CA 3.41Å; L264-L267 WeakPolarHBondContact O-CB 3.43Å; L264-L267 PolarHBondContact O-N 3.45Å; L264-E268 WeakPolarHBondContact O-CB 3.41Å; L264-E268 PolarHBondContact O-N 2.9Å |
| 265 | S | 58.4 | Low | 62.9 | Low | 73 Ų | 73 | 104 Ų | 104 | 51% | 0.51 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -57.4 | -43.8 | 169.5 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | D261 L267 E268 S269 | D261-S265 VanDerWaalsContact O-CB 3.23Å; D261-S265 WeakPolarHBondContact O-CB 3.45Å; D261-S265 PolarHBondContact O-N 2.97Å; S265-L267 PolarHBondContact O-N 3.33Å; S265-E268 PolarHBondContact O-N 2.95Å; S265-S269 PolarHBondContact O-N 3.27Å; S265-S269 PolarHBondContact O-OG 2.9Å |
| 266 | N | 60.1 | Low | 62.7 | Low | 112 Ų | 112 | 101 Ų | 101 | 60% | 0.599 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -75.9 | -1.9 | 174.8 | -155.6 | 103.8 | 0 | 0 | 0 | 113.8 | R262 A263 L264 S269 V270 | R262-N266 WeakPolarHBondContact O-CB 3.09Å; R262-N266 PolarHBondContact O-N 2.9Å; A263-N266 CarbonylContact O-C 3.56Å; A263-N266 PolarHBondContact O-N 3.45Å; L264-N266 VanDerWaalsContact C-N 3.29Å; L264-N266 PolarHBondContact O-N 3.45Å; N266-S269 PolarHBondContact O-OG 2.9Å; N266-V270 WeakPolarHBondContact O-CG2 3.4Å |
| 267 | L | 56.4 | Low | 62.7 | Low | 90 Ų | 90 | 101.2 Ų | 101.2 | 47% | 0.471 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -108.9 | -23.4 | 171.1 | -82 | 165.3 | 0 | 0 | 0 | 112.4 | A263 L264 S265 S269 V270 | A263-L267 VanDerWaalsContact O-CB 3.27Å; A263-L267 WeakPolarHBondContact O-CB 3.26Å; A263-L267 WeakPolarHBondContact O-CD1 3.46Å; A263-L267 WeakPolarHBondContact O-CG 3.43Å; A263-L267 PolarHBondContact O-N 3.18Å; L264-L267 CarbonylContact O-C 3.56Å; L264-L267 WeakPolarHBondContact O-CA 3.41Å; L264-L267 WeakPolarHBondContact O-CB 3.43Å; L264-L267 PolarHBondContact O-N 3.45Å; S265-L267 PolarHBondContact O-N 3.33Å; L267-S269 VanDerWaalsContact C-N 3.27Å; L267-V270 HydrophobicContact CD2-CG2 4.33Å; L267-V270 WeakPolarHBondContact O-CB 3.48Å; L267-V270 PolarHBondContact O-N 3.4Å |
| 268 | E | 58.2 | Low | 63.2 | Low | 161 Ų | 161 | 103 Ų | 103 | 75% | 0.752 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.9 | -34.2 | 170.7 | -169.9 | 173.5 | 104.3 | 0 | 0 | 109.7 | L264 S265 V270 | L264-E268 WeakPolarHBondContact O-CB 3.41Å; L264-E268 PolarHBondContact O-N 2.9Å; S265-E268 PolarHBondContact O-N 2.95Å; E268-V270 PolarHBondContact O-N 2.83Å |
| 269 | S | 66.4 | Low | 62.8 | Low | 87 Ų | 87 | 104 Ų | 104 | 61% | 0.608 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -5.1 | 166.3 | 61.4 | 0 | 0 | 0 | 0 | 114.9 | S265 N266 L267 | S265-S269 PolarHBondContact O-N 3.27Å; S265-S269 PolarHBondContact O-OG 2.9Å; N266-S269 PolarHBondContact O-OG 2.9Å; L267-S269 VanDerWaalsContact C-N 3.27Å |
| 270 | V | 57.6 | Low | 62 | Low | 65 Ų | 65 | 104.3 Ų | 104.3 | 39% | 0.394 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -95.1 | 125.6 | -178.7 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | N266 L267 E268 G272 G273 | N266-V270 WeakPolarHBondContact O-CG2 3.4Å; L267-V270 HydrophobicContact CD2-CG2 4.33Å; L267-V270 WeakPolarHBondContact O-CB 3.48Å; L267-V270 PolarHBondContact O-N 3.4Å; E268-V270 PolarHBondContact O-N 2.83Å; V270-G272 VanDerWaalsContact C-N 3.34Å; V270-G272 PolarHBondContact O-N 3.25Å; V270-G273 PolarHBondContact O-N 2.93Å |
| 271 | P | 43.8 | Very low | 61.4 | Low | 136 Ų | 136 | 105.8 Ų | 105.8 | 88% | 0.883 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 92.3 | 174.4 | 27.7 | -34.4 | 0 | 0 | 0 | 110.2 | ||
| 272 | G | 59.4 | Low | 61.5 | Low | 38 Ų | 38 | 104.1 Ų | 104.1 | 39% | 0.392 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 146.5 | -22.7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V270 Y274 N275 A276 | V270-G272 VanDerWaalsContact C-N 3.34Å; V270-G272 PolarHBondContact O-N 3.25Å; G272-Y274 PolarHBondContact O-N 2.89Å; G272-N275 WeakPolarHBondContact O-CA 3.4Å; G272-N275 WeakPolarHBondContact O-CB 3.18Å; G272-N275 PolarHBondContact O-N 3.21Å; G272-A276 PolarHBondContact O-N 3.48Å |
| 273 | G | 60.8 | Low | 61.2 | Low | 10 Ų | 10 | 100.8 Ų | 100.8 | 10% | 0.103 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -53.9 | -39.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | V270 N275 A276 L277 | V270-G273 PolarHBondContact O-N 2.93Å; G273-N275 VanDerWaalsContact C-N 3.25Å; G273-N275 PolarHBondContact O-N 3.34Å; G273-A276 WeakPolarHBondContact O-CB 3.14Å; G273-A276 PolarHBondContact O-N 2.65Å; G273-L277 PolarHBondContact O-N 3.38Å |
| 274 | Y | 57 | Low | 60.7 | Low | 167 Ų | 167 | 103.2 Ų | 103.2 | 66% | 0.655 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.6 | -27.1 | 174.3 | -145.7 | -71.7 | 0 | 0 | 0 | 113.4 | G272 R278 | G272-Y274 PolarHBondContact O-N 2.89Å; Y274-R278 HydrophobicContact CD1-CG 3.97Å; Y274-R278 HydrophobicContact CE1-CG 4.13Å; Y274-R278 WeakPolarHBondContact O-CB 3.17Å; Y274-R278 VanDerWaalsContact O-CG 3.25Å; Y274-R278 WeakPolarHBondContact O-CG 3.27Å; Y274-R278 PolarHBondContact O-N 3.35Å |
| 275 | N | 66.7 | Low | 60.6 | Low | 108 Ų | 108 | 103.7 Ų | 103.7 | 58% | 0.578 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -78.6 | -31.7 | 172.2 | -85.7 | -74.4 | 0 | 0 | 0 | 112.3 | G272 G273 R279 | G272-N275 WeakPolarHBondContact O-CA 3.4Å; G272-N275 WeakPolarHBondContact O-CB 3.18Å; G272-N275 PolarHBondContact O-N 3.21Å; G273-N275 VanDerWaalsContact C-N 3.25Å; G273-N275 PolarHBondContact O-N 3.34Å; N275-R279 WeakPolarHBondContact O-CB 3.23Å; N275-R279 WeakPolarHBondContact O-CG 3.43Å; N275-R279 PolarHBondContact O-N 2.8Å |
| 276 | A | 66.9 | Low | 60.6 | Low | 60 Ų | 60 | 105.2 Ų | 105.2 | 50% | 0.496 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.6 | -43.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | G272 G273 R279 M280 | G272-A276 PolarHBondContact O-N 3.48Å; G273-A276 WeakPolarHBondContact O-CB 3.14Å; G273-A276 PolarHBondContact O-N 2.65Å; A276-R279 CarbonylContact O-C 3.54Å; A276-R279 WeakPolarHBondContact O-CB 3.18Å; A276-R279 PolarHBondContact O-N 3.47Å; A276-M280 PolarHBondContact O-N 3.27Å |
| 277 | L | 65.9 | Low | 60.5 | Low | 86 Ų | 86 | 101.3 Ų | 101.3 | 45% | 0.45 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 173.3 | -73.1 | 164.2 | 0 | 0 | 0 | 112.1 | G273 R279 M280 Y281 | G273-L277 PolarHBondContact O-N 3.38Å; L277-R279 VanDerWaalsContact C-N 3.3Å; L277-R279 PolarHBondContact O-N 2.82Å; L277-M280 PolarHBondContact O-N 2.86Å; L277-Y281 WeakPolarHBondContact O-CD2 3.49Å; L277-Y281 PolarHBondContact O-N 2.96Å |
| 278 | R | 66.3 | Low | 60.5 | Low | 157 Ų | 157 | 103.5 Ų | 103.5 | 59% | 0.592 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.3 | -37.9 | 171.3 | -79.2 | 177.4 | -171.5 | -134.6 | 2.2 | 112.2 | Y274 Y281 T282 | Y274-R278 HydrophobicContact CD1-CG 3.97Å; Y274-R278 HydrophobicContact CE1-CG 4.13Å; Y274-R278 WeakPolarHBondContact O-CB 3.17Å; Y274-R278 VanDerWaalsContact O-CG 3.25Å; Y274-R278 WeakPolarHBondContact O-CG 3.27Å; Y274-R278 PolarHBondContact O-N 3.35Å; R278-Y281 CarbonylContact O-C 3.57Å; R278-Y281 PolarHBondContact O-N 3.25Å; R278-T282 WeakPolarHBondContact O-CB 3.48Å; R278-T282 PolarHBondContact O-N 3.48Å; R278-T282 PolarHBondContact O-OG1 3.28Å |
| 279 | R | 67.3 | Low | 60.7 | Low | 179 Ų | 179 | 102.5 Ų | 102.5 | 68% | 0.675 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.5 | -41.1 | 172.5 | -78.3 | 178.7 | 178.4 | 170.2 | -0.6 | 112.5 | N275 A276 L277 Y281 T282 D283 | N275-R279 WeakPolarHBondContact O-CB 3.23Å; N275-R279 WeakPolarHBondContact O-CG 3.43Å; N275-R279 PolarHBondContact O-N 2.8Å; A276-R279 CarbonylContact O-C 3.54Å; A276-R279 WeakPolarHBondContact O-CB 3.18Å; A276-R279 PolarHBondContact O-N 3.47Å; L277-R279 VanDerWaalsContact C-N 3.3Å; L277-R279 PolarHBondContact O-N 2.82Å; R279-Y281 VanDerWaalsContact C-N 3.26Å; R279-Y281 PolarHBondContact O-N 3.4Å; R279-T282 PolarHBondContact O-N 3.23Å; R279-T282 VanDerWaalsContact O-N 3.13Å; R279-D283 WeakPolarHBondContact O-CB 3.39Å; R279-D283 PolarHBondContact O-N 3.43Å |
| 280 | M | 59.6 | Low | 60.6 | Low | 116 Ų | 116 | 101.5 Ų | 101.5 | 57% | 0.571 | 51% | 0.513 | S | S | * | . | I | π-helix | trans | -59.6 | -39.1 | 171.3 | -67.6 | -60.3 | -163.8 | 0 | 0 | 111.6 | A276 L277 I284 Q285 | A276-M280 PolarHBondContact O-N 3.27Å; L277-M280 PolarHBondContact O-N 2.86Å; M280-I284 WeakPolarHBondContact O-CA 3.26Å; M280-I284 VanDerWaalsContact O-CB 3.25Å; M280-I284 WeakPolarHBondContact O-CB 3.41Å; M280-I284 PolarHBondContact O-N 2.86Å; M280-I284 VanDerWaalsContact O-N 3.14Å; M280-I284 HydrophobicContact SD-CD1 3.56Å; M280-I284 VanDerWaalsContact SD-CD1 3.56Å; M280-I284 HydrophobicContact SD-CG1 4.39Å; M280-Q285 PolarHBondContact O-N 3.06Å |
| 281 | Y | 56 | Low | 60.6 | Low | 144 Ų | 144 | 99.8 Ų | 99.8 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | I | π-helix | trans | -66.6 | -37.8 | 173.2 | -90 | -112.8 | 0 | 0 | 0 | 113 | L277 R278 R279 Q285 E286 | L277-Y281 WeakPolarHBondContact O-CD2 3.49Å; L277-Y281 PolarHBondContact O-N 2.96Å; R278-Y281 CarbonylContact O-C 3.57Å; R278-Y281 PolarHBondContact O-N 3.25Å; R279-Y281 VanDerWaalsContact C-N 3.26Å; R279-Y281 PolarHBondContact O-N 3.4Å; Y281-Q285 CarbonylContact O-C 3.55Å; Y281-Q285 WeakPolarHBondContact O-CA 3.43Å; Y281-Q285 VanDerWaalsContact O-CB 3.27Å; Y281-Q285 WeakPolarHBondContact O-CB 3.37Å; Y281-Q285 PolarHBondContact O-N 3.26Å; Y281-Q285 VanDerWaalsContact O-N 3.13Å; Y281-E286 PolarHBondContact O-N 2.81Å |
| 282 | T | 67.2 | Low | 61.2 | Low | 75 Ų | 75 | 94.8 Ų | 94.8 | 46% | 0.46 | 48% | 0.476 | S | S | . | . | I | π-helix | trans | -88.3 | -38.4 | -175.8 | -71.5 | 0 | 0 | 0 | 0 | 114.6 | R278 R279 E286 P287 | R278-T282 WeakPolarHBondContact O-CB 3.48Å; R278-T282 PolarHBondContact O-N 3.48Å; R278-T282 PolarHBondContact O-OG1 3.28Å; R279-T282 PolarHBondContact O-N 3.23Å; R279-T282 VanDerWaalsContact O-N 3.13Å; T282-E286 VanDerWaalsContact CA-OE2 3.29Å; T282-E286 WeakPolarHBondContact CA-OE2 3.39Å; T282-E286 VanDerWaalsContact CB-OE2 3.22Å; T282-E286 WeakPolarHBondContact CB-OE2 3.47Å; T282-E286 WeakPolarHBondContact CG2-OE2 3.35Å; T282-E286 PolarHBondContact OG1-OE2 2.96Å; T282-P287 WeakPolarHBondContact O-CD 3.49Å |
| 283 | D | 64.5 | Low | 61.2 | Low | 121 Ų | 121 | 101.6 Ų | 101.6 | 65% | 0.647 | 49% | 0.49 | S | S | * | . | I | π-helix | trans | -86.4 | -20.9 | 178.1 | -86.1 | -79.1 | 0 | 0 | 0 | 113.1 | R279 P287 | R279-D283 WeakPolarHBondContact O-CB 3.39Å; R279-D283 PolarHBondContact O-N 3.43Å; D283-P287 WeakPolarHBondContact O-CG 3.48Å |
| 284 | I | 58.5 | Low | 61.2 | Low | 96 Ų | 96 | 107.8 Ų | 107.8 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | I | π-helix | trans | -116 | -54.7 | 178.3 | -47.2 | -177.3 | 0 | 0 | 0 | 111.4 | M280 P287 M288 | M280-I284 WeakPolarHBondContact O-CA 3.26Å; M280-I284 VanDerWaalsContact O-CB 3.25Å; M280-I284 WeakPolarHBondContact O-CB 3.41Å; M280-I284 PolarHBondContact O-N 2.86Å; M280-I284 VanDerWaalsContact O-N 3.14Å; M280-I284 HydrophobicContact SD-CD1 3.56Å; M280-I284 VanDerWaalsContact SD-CD1 3.56Å; M280-I284 HydrophobicContact SD-CG1 4.39Å; I284-P287 WeakPolarHBondContact O-CD 3.42Å; I284-P287 WeakPolarHBondContact O-CG 3.42Å; I284-M288 WeakPolarHBondContact O-CB 3.3Å; I284-M288 PolarHBondContact O-N 3.32Å |
| 285 | Q | 55.3 | Low | 61.1 | Low | 96 Ų | 96 | 106.6 Ų | 106.6 | 45% | 0.449 | 52% | 0.517 | S | S | . | . | I | π-helix | trans | -76 | -38.8 | -172.2 | -168.2 | 173.4 | -22 | 0 | 0 | 114.2 | M280 Y281 M288 F289 | M280-Q285 PolarHBondContact O-N 3.06Å; Y281-Q285 CarbonylContact O-C 3.55Å; Y281-Q285 WeakPolarHBondContact O-CA 3.43Å; Y281-Q285 VanDerWaalsContact O-CB 3.27Å; Y281-Q285 WeakPolarHBondContact O-CB 3.37Å; Y281-Q285 PolarHBondContact O-N 3.26Å; Y281-Q285 VanDerWaalsContact O-N 3.13Å; Q285-M288 PolarHBondContact O-N 3.16Å; Q285-F289 WeakPolarHBondContact O-CB 3.15Å; Q285-F289 PolarHBondContact O-N 3.15Å |
| 286 | E | 58.9 | Low | 60.2 | Low | 106 Ų | 106 | 108.7 Ų | 108.7 | 50% | 0.495 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 172.6 | -73.5 | -175.1 | 77.2 | 0 | 0 | 112.7 | Y281 T282 F289 T290 | Y281-E286 PolarHBondContact O-N 2.81Å; T282-E286 VanDerWaalsContact CA-OE2 3.29Å; T282-E286 WeakPolarHBondContact CA-OE2 3.39Å; T282-E286 VanDerWaalsContact CB-OE2 3.22Å; T282-E286 WeakPolarHBondContact CB-OE2 3.47Å; T282-E286 WeakPolarHBondContact CG2-OE2 3.35Å; T282-E286 PolarHBondContact OG1-OE2 2.96Å; E286-F289 PolarHBondContact O-N 3.36Å; E286-T290 VanDerWaalsContact O-CB 3.25Å; E286-T290 WeakPolarHBondContact O-CB 3.38Å; E286-T290 PolarHBondContact O-N 2.81Å; E286-T290 PolarHBondContact O-OG1 2.92Å |
| 287 | P | 57.3 | Low | 59.1 | Low | 30 Ų | 30 | 108.1 Ų | 108.1 | 20% | 0.195 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -68.5 | -31.5 | 172.9 | 16.4 | -24.4 | 0 | 0 | 0 | 114.1 | T282 D283 I284 A291 | T282-P287 WeakPolarHBondContact O-CD 3.49Å; D283-P287 WeakPolarHBondContact O-CG 3.48Å; I284-P287 WeakPolarHBondContact O-CD 3.42Å; I284-P287 WeakPolarHBondContact O-CG 3.42Å; P287-A291 VanDerWaalsContact O-CB 3.27Å; P287-A291 WeakPolarHBondContact O-CB 3.35Å; P287-A291 PolarHBondContact O-N 2.94Å |
| 288 | M | 58 | Low | 58.2 | Low | 136 Ų | 136 | 110.9 Ų | 110.9 | 67% | 0.67 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69.3 | -40.9 | 173.3 | -139.9 | -79.2 | -169.2 | 0 | 0 | 111.2 | I284 Q285 A292 | I284-M288 WeakPolarHBondContact O-CB 3.3Å; I284-M288 PolarHBondContact O-N 3.32Å; Q285-M288 PolarHBondContact O-N 3.16Å; M288-A292 WeakPolarHBondContact O-CB 3.42Å; M288-A292 PolarHBondContact O-N 2.71Å |
| 289 | F | 61.5 | Low | 57.1 | Low | 140 Ų | 140 | 107.7 Ų | 107.7 | 61% | 0.614 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -71.6 | -32.3 | 175.8 | -169.6 | -98.4 | 0 | 0 | 0 | 112.2 | Q285 E286 R293 | Q285-F289 WeakPolarHBondContact O-CB 3.15Å; Q285-F289 PolarHBondContact O-N 3.15Å; E286-F289 PolarHBondContact O-N 3.36Å; F289-R293 WeakPolarHBondContact O-CB 3.47Å; F289-R293 PolarHBondContact O-N 3.32Å |
| 290 | T | 63.9 | Low | 56.4 | Low | 66 Ų | 66 | 104 Ų | 104 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.3 | -49.6 | 172.8 | -57.5 | 0 | 0 | 0 | 0 | 110.2 | E286 A292 R293 E294 | E286-T290 VanDerWaalsContact O-CB 3.25Å; E286-T290 WeakPolarHBondContact O-CB 3.38Å; E286-T290 PolarHBondContact O-N 2.81Å; E286-T290 PolarHBondContact O-OG1 2.92Å; T290-A292 VanDerWaalsContact C-N 3.32Å; T290-A292 PolarHBondContact O-N 3.45Å; T290-R293 CarbonylContact O-C 3.5Å; T290-R293 WeakPolarHBondContact O-CA 3.12Å; T290-R293 PolarHBondContact O-N 2.85Å; T290-E294 HydrophobicContact CG2-CG 4.47Å; T290-E294 WeakPolarHBondContact O-CG 3.36Å; T290-E294 PolarHBondContact O-N 3.36Å |
| 291 | A | 57.9 | Low | 55.6 | Low | 28 Ų | 28 | 106.3 Ų | 106.3 | 23% | 0.231 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -58.8 | -42.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P287 R293 E294 Q295 | P287-A291 VanDerWaalsContact O-CB 3.27Å; P287-A291 WeakPolarHBondContact O-CB 3.35Å; P287-A291 PolarHBondContact O-N 2.94Å; A291-R293 PolarHBondContact O-N 2.79Å; A291-E294 PolarHBondContact O-N 3.32Å; A291-Q295 WeakPolarHBondContact O-CB 3.16Å; A291-Q295 WeakPolarHBondContact O-CG 3.43Å; A291-Q295 PolarHBondContact O-N 3.19Å |
| 292 | A | 57.3 | Low | 55.2 | Low | 32 Ų | 32 | 103.5 Ų | 103.5 | 26% | 0.264 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.6 | -37.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M288 T290 E294 F296 | M288-A292 WeakPolarHBondContact O-CB 3.42Å; M288-A292 PolarHBondContact O-N 2.71Å; T290-A292 VanDerWaalsContact C-N 3.32Å; T290-A292 PolarHBondContact O-N 3.45Å; A292-E294 VanDerWaalsContact C-N 3.32Å; A292-F296 HydrophobicContact CB-CD2 4.49Å; A292-F296 WeakPolarHBondContact O-CA 3.39Å; A292-F296 VanDerWaalsContact O-CB 3.25Å; A292-F296 WeakPolarHBondContact O-CB 3.5Å; A292-F296 WeakPolarHBondContact O-CD2 3.41Å; A292-F296 PolarHBondContact O-N 3.42Å |
| 293 | R | 59.4 | Low | 54.3 | Low | 181 Ų | 181 | 104 Ų | 104 | 68% | 0.683 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -74.4 | -19 | 175.2 | 179.6 | 174.6 | 161.6 | 93.6 | 1 | 113 | F289 T290 A291 G297 | F289-R293 WeakPolarHBondContact O-CB 3.47Å; F289-R293 PolarHBondContact O-N 3.32Å; T290-R293 CarbonylContact O-C 3.5Å; T290-R293 WeakPolarHBondContact O-CA 3.12Å; T290-R293 PolarHBondContact O-N 2.85Å; A291-R293 PolarHBondContact O-N 2.79Å; R293-G297 WeakPolarHBondContact O-CA 3.36Å; R293-G297 PolarHBondContact O-N 3.05Å |
| 294 | E | 60.8 | Low | 53.6 | Low | 140 Ų | 140 | 105.2 Ų | 105.2 | 65% | 0.654 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -88 | -33.9 | 171.9 | -70.5 | 177 | 131.4 | 0 | 0 | 111.4 | T290 A291 A292 | T290-E294 HydrophobicContact CG2-CG 4.47Å; T290-E294 WeakPolarHBondContact O-CG 3.36Å; T290-E294 PolarHBondContact O-N 3.36Å; A291-E294 PolarHBondContact O-N 3.32Å; A292-E294 VanDerWaalsContact C-N 3.32Å |
| 295 | Q | 53.7 | Low | 53.3 | Low | 142 Ų | 142 | 105.1 Ų | 105.1 | 66% | 0.664 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -76.8 | -41 | 173.1 | -69.3 | -172.8 | -74.7 | 0 | 0 | 113.6 | A291 | A291-Q295 WeakPolarHBondContact O-CB 3.16Å; A291-Q295 WeakPolarHBondContact O-CG 3.43Å; A291-Q295 PolarHBondContact O-N 3.19Å |
| 296 | F | 48.4 | Very low | 52.4 | Low | 151 Ų | 151 | 103.4 Ų | 103.4 | 66% | 0.662 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -103.4 | -9.9 | -178.6 | -65.9 | -91.4 | 0 | 0 | 0 | 113.8 | A292 N298 | A292-F296 HydrophobicContact CB-CD2 4.49Å; A292-F296 WeakPolarHBondContact O-CA 3.39Å; A292-F296 VanDerWaalsContact O-CB 3.25Å; A292-F296 WeakPolarHBondContact O-CB 3.5Å; A292-F296 WeakPolarHBondContact O-CD2 3.41Å; A292-F296 PolarHBondContact O-N 3.42Å; F296-N298 PolarHBondContact O-N 2.92Å |
| 297 | G | 44.6 | Very low | 51.4 | Low | 48 Ų | 48 | 105.5 Ų | 105.5 | 50% | 0.495 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -72.6 | -10.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R293 N299 | R293-G297 WeakPolarHBondContact O-CA 3.36Å; R293-G297 PolarHBondContact O-N 3.05Å; G297-N299 PolarHBondContact O-N 3.36Å |
| 298 | N | 46.1 | Very low | 50.4 | Low | 144 Ų | 144 | 109.2 Ų | 109.2 | 77% | 0.77 | 61% | 0.614 | S | S | * | * | trans | -74.7 | 46.7 | 169.1 | -139.1 | 81.8 | 0 | 0 | 0 | 111.3 | F296 P300 | F296-N298 PolarHBondContact O-N 2.92Å; N298-P300 WeakPolarHBondContact O-CD 3.37Å | ||
| 299 | N | 42.2 | Very low | 49.3 | Very low | 91 Ų | 91 | 109.5 Ų | 109.5 | 49% | 0.487 | 62% | 0.618 | S | S | . | * | trans | -79.9 | 111.8 | -167.5 | -165.7 | -0.2 | 0 | 0 | 0 | 109.9 | G297 F301 S302 | G297-N299 PolarHBondContact O-N 3.36Å; N299-F301 PolarHBondContact O-N 3.28Å; N299-S302 PolarHBondContact O-N 2.75Å | ||
| 300 | P | 52.5 | Low | 47.9 | Very low | 101 Ų | 101 | 108.9 Ų | 108.9 | 66% | 0.656 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -11.5 | -166.4 | 26.7 | -36 | 0 | 0 | 0 | 114.2 | N298 S303 | N298-P300 WeakPolarHBondContact O-CD 3.37Å; P300-S303 PolarHBondContact O-OG 3.43Å |
| 301 | F | 43.4 | Very low | 46.5 | Very low | 164 Ų | 164 | 110 Ų | 110 | 72% | 0.719 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -33.9 | 173.1 | -160.3 | -104.5 | 0 | 0 | 0 | 112.6 | N299 S303 L304 | N299-F301 PolarHBondContact O-N 3.28Å; F301-S303 VanDerWaalsContact C-N 3.31Å; F301-S303 PolarHBondContact O-N 3.26Å; F301-L304 PolarHBondContact O-N 3.26Å; F301-L304 VanDerWaalsContact O-N 3.13Å |
| 302 | S | 47 | Very low | 45.3 | Very low | 86 Ų | 86 | 113.9 Ų | 113.9 | 60% | 0.601 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -69.5 | -27.8 | -179.7 | -64 | 0 | 0 | 0 | 0 | 113 | N299 L304 | N299-S302 PolarHBondContact O-N 2.75Å; S302-L304 PolarHBondContact O-N 2.67Å |
| 303 | S | 48.5 | Very low | 44.2 | Very low | 84 Ų | 84 | 117.4 Ų | 117.4 | 59% | 0.587 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -68.5 | -16.3 | 171.9 | 25.6 | 0 | 0 | 0 | 0 | 114.2 | P300 F301 | P300-S303 PolarHBondContact O-OG 3.43Å; F301-S303 VanDerWaalsContact C-N 3.31Å; F301-S303 PolarHBondContact O-N 3.26Å |
| 304 | L | 51.4 | Low | 43.4 | Very low | 147 Ų | 147 | 117.8 Ų | 117.8 | 77% | 0.77 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -88.7 | -15.7 | -177.8 | -146.1 | 74.2 | 0 | 0 | 0 | 113.7 | F301 S302 | F301-L304 PolarHBondContact O-N 3.26Å; F301-L304 VanDerWaalsContact O-N 3.13Å; S302-L304 PolarHBondContact O-N 2.67Å |
| 305 | A | 51 | Low | 42.5 | Very low | 95 Ų | 95 | 116.1 Ų | 116.1 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -104.4 | 2.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 306 | G | 36.9 | Very low | 41.9 | Very low | 59 Ų | 59 | 116.2 Ų | 116.2 | 61% | 0.608 | 70% | 0.695 | S | S | * | * | trans | -122.2 | 5.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | S308 | G306-S308 VanDerWaalsContact C-N 3.28Å; G306-S308 PolarHBondContact O-N 3.46Å | ||
| 307 | N | 37.9 | Very low | 41.6 | Very low | 150 Ų | 150 | 120.7 Ų | 120.7 | 80% | 0.802 | 71% | 0.707 | S | S | * | * | trans | -91.2 | 46.5 | -176.1 | -158.3 | 101.5 | 0 | 0 | 0 | 112.9 | ||||
| 308 | S | 36.3 | Very low | 41.6 | Very low | 109 Ų | 109 | 124.8 Ų | 124.8 | 76% | 0.762 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -147.4 | 126.7 | 175.2 | -69.4 | 0 | 0 | 0 | 0 | 109.7 | G306 | G306-S308 VanDerWaalsContact C-N 3.28Å; G306-S308 PolarHBondContact O-N 3.46Å |
| 309 | D | 33.7 | Very low | 41.6 | Very low | 142 Ų | 142 | 126.6 Ų | 126.6 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | 51.5 | 111.2 | -168 | -85.4 | -102 | 0 | 0 | 0 | 115.8 | ||||
| 310 | N | 32.9 | Very low | 42.1 | Very low | 126 Ų | 126 | 128.3 Ų | 128.3 | 67% | 0.674 | 74% | 0.736 | S | S | * | * | 79.8 | 123.4 | 61.1 | 177.8 | 31.6 | 0 | 0 | 0 | 113.2 | |||||
| 311 | S | 34.2 | Very low | 42.3 | Very low | 90 Ų | 90 | 135.1 Ų | 135.1 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | trans | 63.7 | 114.7 | 162.8 | -67.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 312 | S | 32.8 | Very low | 42.8 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | trans | 75.9 | 140.5 | 139.9 | 70.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 313 | S | 34.5 | Very low | 43.6 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | trans | 66.8 | 139.7 | 159.8 | 52.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 314 | Q | 43 | Very low | 44.6 | Very low | 190 Ų | 190 | 139.9 Ų | 139.9 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | trans | -59.8 | 146 | 159.1 | -65.8 | 177.4 | -45.2 | 0 | 0 | 110.2 | ||||
| 315 | P | 42.6 | Very low | 45.1 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | -145.4 | 158.8 | 125.1 | 27.1 | -7.2 | 0 | 0 | 0 | 116.3 | |||||
| 316 | L | 39.5 | Very low | 45.7 | Very low | 144 Ų | 144 | 138.3 Ų | 138.3 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | trans | 38.3 | 122.3 | 146.5 | -78 | 54.8 | 0 | 0 | 0 | 119.2 | ||||
| 317 | R | 41.9 | Very low | 46.9 | Very low | 244 Ų | 244 | 140.9 Ų | 140.9 | 92% | 0.921 | 76% | 0.761 | S | S | * | * | 50.6 | 76.7 | 71.6 | -67 | -173.2 | 168.5 | -174.6 | -3.5 | 114.2 | |||||
| 318 | T | 44.6 | Very low | 47.9 | Very low | 135 Ų | 135 | 144.6 Ų | 144.6 | 83% | 0.828 | 76% | 0.764 | S | S | * | * | trans | -130.3 | 116.7 | 158.8 | -64.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 319 | E | 47 | Very low | 48.8 | Very low | 182 Ų | 182 | 142.7 Ų | 142.7 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | trans | -72.3 | 142 | 170.9 | -70.1 | 171.3 | 81 | 0 | 0 | 110.2 | R321 | E319-R321 PolarHBondContact O-N 2.85Š| ||
| 320 | N | 51.9 | Low | 49.9 | Very low | 127 Ų | 127 | 142 Ų | 142 | 68% | 0.679 | 75% | 0.754 | S | S | * | * | trans | -70.4 | 103.9 | -179.4 | -170 | 91.3 | 0 | 0 | 0 | 110.4 | E322 | N320-E322 PolarHBondContact ND2-O 3.08Š| ||
| 321 | R | 56.5 | Low | 51.1 | Low | 243 Ų | 243 | 141.3 Ų | 141.3 | 92% | 0.917 | 76% | 0.759 | S | S | * | * | trans | -94 | 3.7 | -166.3 | -142.6 | 173.5 | -172 | 167.7 | 3.2 | 115.1 | E319 | E319-R321 PolarHBondContact O-N 2.85Š| ||
| 322 | E | 55.5 | Low | 52.1 | Low | 158 Ų | 158 | 142 Ų | 142 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -107.5 | 132.6 | 178.5 | -68.5 | 175.8 | 91.9 | 0 | 0 | 110.4 | N320 L324 | N320-E322 PolarHBondContact ND2-O 3.08Å; E322-L324 PolarHBondContact O-N 2.9Å |
| 323 | P | 63.1 | Low | 52.7 | Low | 125 Ų | 125 | 142.6 Ų | 142.6 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 122.3 | 177.1 | 29.5 | -32.9 | 0 | 0 | 0 | 110.1 | ||
| 324 | L | 68.8 | Low | 53.3 | Low | 151 Ų | 151 | 144.3 Ų | 144.3 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 140.8 | 173.8 | -71.3 | 123.3 | 0 | 0 | 0 | 110.4 | E322 | E322-L324 PolarHBondContact O-N 2.9Š|
| 325 | P | 62.4 | Low | 53.2 | Low | 120 Ų | 120 | 139.7 Ų | 139.7 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 138.4 | -177.8 | 26.5 | -34.6 | 0 | 0 | 0 | 111.3 | P327 | P325-P327 WeakPolarHBondContact O-CD 3.34Š|
| 326 | N | 63.9 | Low | 53.1 | Low | 89 Ų | 89 | 143.8 Ų | 143.8 | 48% | 0.476 | 77% | 0.768 | S | S | . | * | trans | -68.3 | 115.9 | -175.7 | 178.8 | 11.1 | 0 | 0 | 0 | 111.5 | W328 S329 | N326-W328 PolarHBondContact O-N 2.76Å; N326-W328 VanDerWaalsContact O-N 3.14Å; N326-W328 WeakPolarHBondContact OD1-CB 3.49Å; N326-W328 PolarHBondContact OD1-N 3.31Å; N326-S329 PolarHBondContact O-N 2.98Å; N326-S329 PolarHBondContact O-OG 3.19Å; N326-S329 VanDerWaalsContact O-OG 3.05Å | ||
| 327 | P | 62.3 | Low | 53.2 | Low | 113 Ų | 113 | 141.7 Ų | 141.7 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -10.4 | 179.1 | 30.3 | -36.6 | 0 | 0 | 0 | 113.7 | P325 | P325-P327 WeakPolarHBondContact O-CD 3.34Š|
| 328 | W | 59.1 | Low | 53.3 | Low | 228 Ų | 228 | 136 Ų | 136 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | 5.1 | 177.4 | -60.8 | -56.7 | 0 | 0 | 0 | 114.5 | N326 P330 | N326-W328 PolarHBondContact O-N 2.76Å; N326-W328 VanDerWaalsContact O-N 3.14Å; N326-W328 WeakPolarHBondContact OD1-CB 3.49Å; N326-W328 PolarHBondContact OD1-N 3.31Å; W328-P330 WeakPolarHBondContact O-CD 3.48Å |
| 329 | S | 53.5 | Low | 53 | Low | 70 Ų | 70 | 133 Ų | 133 | 49% | 0.49 | 76% | 0.761 | S | S | . | * | S | Bend | trans | -80.1 | 120.6 | 166.2 | 60.3 | 0 | 0 | 0 | 0 | 110.3 | N326 S331 | N326-S329 PolarHBondContact O-N 2.98Å; N326-S329 PolarHBondContact O-OG 3.19Å; N326-S329 VanDerWaalsContact O-OG 3.05Å; S329-S331 PolarHBondContact O-N 2.97Å |
| 330 | P | 56.9 | Low | 52.7 | Low | 126 Ų | 126 | 130.5 Ų | 130.5 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 116.1 | -178.8 | 27.9 | -33.8 | 0 | 0 | 0 | 111.4 | W328 | W328-P330 WeakPolarHBondContact O-CD 3.48Š|
| 331 | S | 59.9 | Low | 52.1 | Low | 112 Ų | 112 | 128.7 Ų | 128.7 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 130 | 173.5 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | S329 | S329-S331 PolarHBondContact O-N 2.97Š|
| 332 | P | 55 | Low | 51.1 | Low | 106 Ų | 106 | 120.4 Ų | 120.4 | 69% | 0.688 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 146.7 | -175 | 29.7 | -35.3 | 0 | 0 | 0 | 112.9 | T334 | P332-T334 PolarHBondContact O-N 3.4Š|
| 333 | P | 45.2 | Very low | 50.3 | Low | 120 Ų | 120 | 123 Ų | 123 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -82.2 | 95.8 | 179 | 32.3 | -34.2 | 0 | 0 | 0 | 112.2 | S335 | P333-S335 PolarHBondContact O-N 3.32Š| ||
| 334 | T | 45.7 | Very low | 49.1 | Very low | 142 Ų | 142 | 120.3 Ų | 120.3 | 87% | 0.871 | 77% | 0.773 | S | S | * | * | trans | -71.3 | 125.8 | 175 | -50.8 | 0 | 0 | 0 | 0 | 111.2 | P332 | P332-T334 PolarHBondContact O-N 3.4Š| ||
| 335 | S | 42.1 | Very low | 47.4 | Very low | 94 Ų | 94 | 120.4 Ų | 120.4 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | trans | -108.6 | 168 | -174.1 | -62.8 | 0 | 0 | 0 | 0 | 113.3 | P333 | P333-S335 PolarHBondContact O-N 3.32Š| ||
| 336 | Q | 39.6 | Very low | 46 | Very low | 191 Ų | 191 | 118.4 Ų | 118.4 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | trans | 73.2 | 147.9 | 168.2 | -63.6 | 176.8 | -6.3 | 0 | 0 | 115.4 | ||||
| 337 | A | 42.3 | Very low | 44.5 | Very low | 99 Ų | 99 | 117.7 Ų | 117.7 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | cis | -135.9 | 156.3 | 32.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 338 | P | 43.3 | Very low | 43.1 | Very low | 125 Ų | 125 | 119 Ų | 119 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -104.2 | 170.2 | 179.1 | 40.5 | -35.1 | 0 | 0 | 0 | 114.3 | ||||
| 339 | G | 39.1 | Very low | 41.8 | Very low | 72 Ų | 72 | 111.8 Ų | 111.8 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | -163.9 | 118.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 340 | S | 40.2 | Very low | 40.6 | Very low | 130 Ų | 130 | 114.9 Ų | 114.9 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | trans | 73.2 | 82.9 | 143.2 | -52.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 341 | G | 38.8 | Very low | 39.4 | Very low | 88 Ų | 88 | 113.6 Ų | 113.6 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | trans | 79 | 147.3 | 140.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 342 | G | 36.5 | Very low | 38.2 | Very low | 70 Ų | 70 | 116.9 Ų | 116.9 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | cis | 174.7 | 143.2 | -8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 343 | E | 37.6 | Very low | 37 | Very low | 211 Ų | 211 | 117.9 Ų | 117.9 | 99% | 0.986 | 82% | 0.82 | S | S | * | * | trans | 57.1 | 132.9 | 172.4 | -61.7 | 174.5 | 76.5 | 0 | 0 | 117.9 | ||||
| 344 | G | 38.8 | Very low | 36.3 | Very low | 70 Ų | 70 | 120.5 Ų | 120.5 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | cis | -178.5 | 160 | -5.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 345 | T | 32.5 | Very low | 35.7 | Very low | 152 Ų | 152 | 119.4 Ų | 119.4 | 93% | 0.933 | 82% | 0.817 | S | S | * | * | trans | 9.3 | 129.9 | 162 | -47.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 346 | G | 32.6 | Very low | 35.3 | Very low | 78 Ų | 78 | 120.6 Ų | 120.6 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | cis | 151.2 | 131.5 | 0.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 347 | G | 33.8 | Very low | 35.2 | Very low | 75 Ų | 75 | 118.6 Ų | 118.6 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | trans | 169.9 | 126.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G349 | G347-G349 PolarHBondContact O-N 3.03Š| ||
| 348 | S | 32.2 | Very low | 34.8 | Very low | 141 Ų | 141 | 118.8 Ų | 118.8 | 99% | 0.986 | 82% | 0.817 | S | S | * | * | trans | -47.7 | 113.8 | -165.3 | -54.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 349 | G | 31.3 | Very low | 34.8 | Very low | 75 Ų | 75 | 118.5 Ų | 118.5 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -108.7 | 151.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | G347 | G347-G349 PolarHBondContact O-N 3.03Š| ||
| 350 | T | 29.5 | Very low | 34.7 | Very low | 135 Ų | 135 | 120.4 Ų | 120.4 | 83% | 0.828 | 81% | 0.808 | S | S | * | * | trans | -74.1 | 164.5 | 169.7 | -30.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 351 | S | 31.2 | Very low | 34.6 | Very low | 99 Ų | 99 | 121.6 Ų | 121.6 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | 82.7 | 130.1 | 154.5 | -56.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 352 | Q | 34.4 | Very low | 34.6 | Very low | 181 Ų | 181 | 120.9 Ų | 120.9 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | 26.4 | 129.2 | 138.1 | -62.4 | 180 | -31.8 | 0 | 0 | 120.2 | ||||
| 353 | V | 29.6 | Very low | 35.2 | Very low | 128 Ų | 128 | 124.7 Ų | 124.7 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | -163.3 | 147.5 | 94.3 | -94.7 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 354 | H | 30.8 | Very low | 35.2 | Very low | 174 Ų | 174 | 121.3 Ų | 121.3 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 140.9 | 133.7 | 142.7 | -91.2 | -100.4 | 0 | 0 | 0 | 113 | ||
| 355 | P | 33.2 | Very low | 35.5 | Very low | 120 Ų | 120 | 122.7 Ų | 122.7 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | cis | -112.9 | 164.2 | -29.7 | 38.3 | -27 | 0 | 0 | 0 | 112 | ||||
| 356 | T | 33.6 | Very low | 36.2 | Very low | 119 Ų | 119 | 120.1 Ų | 120.1 | 73% | 0.73 | 78% | 0.779 | S | S | * | * | trans | -89.1 | 138.9 | 168.8 | -178 | 0 | 0 | 0 | 0 | 111 | ||||
| 357 | V | 37.4 | Very low | 36.9 | Very low | 149 Ų | 149 | 121 Ų | 121 | 90% | 0.903 | 77% | 0.773 | S | S | * | * | trans | -135.8 | 119.8 | 136.4 | -176.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 358 | S | 33.5 | Very low | 37.5 | Very low | 103 Ų | 103 | 125 Ų | 125 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | trans | -49.9 | 142.9 | -170.1 | -50.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 359 | N | 44.2 | Very low | 38.5 | Very low | 119 Ų | 119 | 121.8 Ų | 121.8 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | trans | -73.2 | 155.4 | 163.3 | -169.3 | 42.6 | 0 | 0 | 0 | 111.9 | F361 | N359-F361 PolarHBondContact ND2-O 3.49Š| ||
| 360 | P | 37.1 | Very low | 39.3 | Very low | 112 Ų | 112 | 124.1 Ų | 124.1 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -113.1 | -27.1 | 161.8 | 33.6 | -26 | 0 | 0 | 0 | 115.2 | ||
| 361 | F | 37.8 | Very low | 40.2 | Very low | 155 Ų | 155 | 120.9 Ų | 120.9 | 68% | 0.68 | 76% | 0.762 | S | S | * | * | trans | -113.6 | 102.6 | -176.4 | -78.7 | -81.1 | 0 | 0 | 0 | 111.8 | N359 | N359-F361 PolarHBondContact ND2-O 3.49Š| ||
| 362 | G | 39.4 | Very low | 41.2 | Very low | 73 Ų | 73 | 123.4 Ų | 123.4 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | -89.1 | 113 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 363 | I | 48.3 | Very low | 41.8 | Very low | 149 Ų | 149 | 123.8 Ų | 123.8 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | -128.2 | 119.4 | 171.9 | -53.7 | -179.8 | 0 | 0 | 0 | 107.9 | ||||
| 364 | N | 37.8 | Very low | 42.7 | Very low | 140 Ų | 140 | 124 Ų | 124 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | trans | -92 | 147.5 | -175.7 | -163.6 | -4.1 | 0 | 0 | 0 | 111.2 | A366 S367 | N364-A366 PolarHBondContact O-N 3.44Å; N364-S367 PolarHBondContact O-N 3.32Å | ||
| 365 | A | 46.1 | Very low | 43.4 | Very low | 99 Ų | 99 | 117.8 Ų | 117.8 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 2.9 | -165.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 366 | A | 47 | Very low | 44.6 | Very low | 99 Ų | 99 | 116.8 Ų | 116.8 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -6.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | N364 | N364-A366 PolarHBondContact O-N 3.44Š|
| 367 | S | 47.1 | Very low | 45.8 | Very low | 96 Ų | 96 | 119 Ų | 119 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -93.3 | -12 | -170.6 | -153.9 | 0 | 0 | 0 | 0 | 115.1 | N364 G369 | N364-S367 PolarHBondContact O-N 3.32Å; S367-G369 VanDerWaalsContact C-N 3.33Å; S367-G369 PolarHBondContact O-N 2.85Å |
| 368 | L | 46.9 | Very low | 47 | Very low | 159 Ų | 159 | 115.8 Ų | 115.8 | 83% | 0.832 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 4.6 | -164.1 | -123.4 | 159.8 | 0 | 0 | 0 | 115.1 | ||
| 369 | G | 51.7 | Low | 48.3 | Very low | 73 Ų | 73 | 116 Ų | 116 | 75% | 0.753 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -17 | -170.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | S367 | S367-G369 VanDerWaalsContact C-N 3.33Å; S367-G369 PolarHBondContact O-N 2.85Å |
| 370 | S | 48.9 | Very low | 49.4 | Very low | 124 Ų | 124 | 113 Ų | 113 | 87% | 0.867 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -119.2 | -5.8 | -157.1 | -48.3 | 0 | 0 | 0 | 0 | 116.5 | ||
| 371 | G | 48.5 | Very low | 50.8 | Low | 67 Ų | 67 | 112.4 Ų | 112.4 | 69% | 0.691 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -107.1 | -14.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 372 | M | 51.7 | Low | 51.8 | Low | 153 Ų | 153 | 110.9 Ų | 110.9 | 75% | 0.754 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -21.6 | -162.6 | -170.3 | 169.9 | 171.6 | 0 | 0 | 114.9 | ||
| 373 | F | 46.4 | Very low | 52.9 | Low | 188 Ų | 188 | 112.8 Ų | 112.8 | 83% | 0.825 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 5.2 | -169.7 | -103.6 | -81.9 | 0 | 0 | 0 | 115.8 | M378 | F373-M378 HydrophobicContact CD1-SD 4.02Å; F373-M378 HydrophobicContact CE1-SD 4.15Å |
| 374 | N | 48.7 | Very low | 53.3 | Low | 132 Ų | 132 | 111.2 Ų | 111.2 | 71% | 0.706 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -129.1 | 35.8 | -177.4 | -149.3 | -14.3 | 0 | 0 | 0 | 112.2 | Q379 | N374-Q379 PolarHBondContact OD1-NE2 3.18Š|
| 375 | S | 47.1 | Very low | 54.3 | Low | 44 Ų | 44 | 108.1 Ų | 108.1 | 31% | 0.308 | 64% | 0.64 | S | S | . | * | trans | -87.7 | 140.5 | 177.5 | 56.7 | 0 | 0 | 0 | 0 | 111.3 | E377 M378 Q379 | S375-E377 PolarHBondContact O-N 2.88Å; S375-M378 PolarHBondContact O-N 3.44Å; S375-M378 WeakPolarHBondContact OG-CB 3.3Å; S375-Q379 PolarHBondContact O-N 3.03Å; S375-Q379 VanDerWaalsContact O-N 3.16Å | ||
| 376 | P | 57.8 | Low | 55.3 | Low | 99 Ų | 99 | 107.3 Ų | 107.3 | 64% | 0.643 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.3 | -22.3 | 180 | 25.9 | -33.9 | 0 | 0 | 0 | 113 | Q379 A380 | P376-Q379 PolarHBondContact O-N 3.44Å; P376-A380 WeakPolarHBondContact O-CB 3.11Å; P376-A380 PolarHBondContact O-N 2.93Å |
| 377 | E | 58.2 | Low | 56.3 | Low | 167 Ų | 167 | 109.3 Ų | 109.3 | 78% | 0.78 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.4 | -34.6 | 170.8 | -68.1 | -160 | 112 | 0 | 0 | 112.7 | S375 Q379 A380 L381 | S375-E377 PolarHBondContact O-N 2.88Å; E377-Q379 VanDerWaalsContact C-N 3.32Å; E377-A380 PolarHBondContact O-N 3.5Å; E377-L381 WeakPolarHBondContact O-CB 3.08Å; E377-L381 PolarHBondContact O-N 3.49Å |
| 378 | M | 62.6 | Low | 56.6 | Low | 80 Ų | 80 | 107.7 Ų | 107.7 | 39% | 0.394 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -71.8 | -30.8 | 172.8 | -173.3 | 160.5 | -76.8 | 0 | 0 | 111.5 | F373 S375 L382 | F373-M378 HydrophobicContact CD1-SD 4.02Å; F373-M378 HydrophobicContact CE1-SD 4.15Å; S375-M378 PolarHBondContact O-N 3.44Å; S375-M378 WeakPolarHBondContact OG-CB 3.3Å; M378-L382 WeakPolarHBondContact O-CB 3.4Å; M378-L382 PolarHBondContact O-N 3.03Å |
| 379 | Q | 60.2 | Low | 57.5 | Low | 109 Ų | 109 | 104.7 Ų | 104.7 | 51% | 0.509 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.3 | -42.2 | 168.9 | -64.5 | 176 | -1.1 | 0 | 0 | 111.3 | N374 S375 P376 E377 L382 Q383 | N374-Q379 PolarHBondContact OD1-NE2 3.18Å; S375-Q379 PolarHBondContact O-N 3.03Å; S375-Q379 VanDerWaalsContact O-N 3.16Å; P376-Q379 PolarHBondContact O-N 3.44Å; E377-Q379 VanDerWaalsContact C-N 3.32Å; Q379-L382 PolarHBondContact O-N 3.28Å; Q379-Q383 WeakPolarHBondContact O-CB 2.9Å; Q379-Q383 PolarHBondContact O-N 3.48Å |
| 380 | A | 67.8 | Low | 58.7 | Low | 56 Ų | 56 | 108 Ų | 108 | 46% | 0.463 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64 | -39.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | P376 E377 Q383 Q384 | P376-A380 WeakPolarHBondContact O-CB 3.11Å; P376-A380 PolarHBondContact O-N 2.93Å; E377-A380 PolarHBondContact O-N 3.5Å; A380-Q383 WeakPolarHBondContact O-CB 3.49Å; A380-Q383 PolarHBondContact O-N 3Å; A380-Q384 WeakPolarHBondContact O-CB 3.49Å; A380-Q384 PolarHBondContact O-N 3.38Å |
| 381 | L | 66 | Low | 59.7 | Low | 98 Ų | 98 | 104.7 Ų | 104.7 | 51% | 0.513 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.9 | -40.5 | 174.1 | -160.3 | 83.9 | 0 | 0 | 0 | 111.6 | E377 Q384 I385 | E377-L381 WeakPolarHBondContact O-CB 3.08Å; E377-L381 PolarHBondContact O-N 3.49Å; L381-Q384 PolarHBondContact O-N 2.88Å; L381-I385 HydrophobicContact CG-CD1 4.36Å; L381-I385 WeakPolarHBondContact O-CB 3.37Å; L381-I385 VanDerWaalsContact O-CG1 3.3Å; L381-I385 WeakPolarHBondContact O-CG1 3.43Å; L381-I385 PolarHBondContact O-N 2.87Å |
| 382 | L | 59.3 | Low | 60.4 | Low | 124 Ų | 124 | 106.9 Ų | 106.9 | 65% | 0.649 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67 | -37.8 | 175 | -163.1 | 74 | 0 | 0 | 0 | 111.4 | M378 Q379 I385 S386 | M378-L382 WeakPolarHBondContact O-CB 3.4Å; M378-L382 PolarHBondContact O-N 3.03Å; Q379-L382 PolarHBondContact O-N 3.28Å; L382-I385 PolarHBondContact O-N 3.22Å; L382-S386 WeakPolarHBondContact O-CB 3.48Å; L382-S386 PolarHBondContact O-N 3.34Å; L382-S386 PolarHBondContact O-OG 2.82Å |
| 383 | Q | 62.6 | Low | 60.8 | Low | 112 Ų | 112 | 103.2 Ų | 103.2 | 52% | 0.523 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.4 | -53.5 | 172.3 | -154.1 | 83.5 | 88.4 | 0 | 0 | 109.8 | Q379 A380 I385 S386 E387 | Q379-Q383 WeakPolarHBondContact O-CB 2.9Å; Q379-Q383 PolarHBondContact O-N 3.48Å; A380-Q383 WeakPolarHBondContact O-CB 3.49Å; A380-Q383 PolarHBondContact O-N 3Å; Q383-I385 VanDerWaalsContact C-N 3.27Å; Q383-I385 PolarHBondContact O-N 3.26Å; Q383-S386 WeakPolarHBondContact CA-OG 3.35Å; Q383-S386 CarbonylContact O-C 3.4Å; Q383-S386 WeakPolarHBondContact O-CA 3.32Å; Q383-S386 PolarHBondContact O-N 2.91Å; Q383-S386 PolarHBondContact O-OG 3.33Å; Q383-E387 HydrophobicContact CG-CG 4.4Å; Q383-E387 WeakPolarHBondContact CG-OE2 3.35Å; Q383-E387 WeakPolarHBondContact O-CG 3.44Å; Q383-E387 PolarHBondContact O-N 3.38Å |
| 384 | Q | 57.4 | Low | 61.6 | Low | 116 Ų | 116 | 99.3 Ų | 99.3 | 54% | 0.542 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.6 | -28.7 | 179.7 | -168 | 176.1 | -82.4 | 0 | 0 | 113.6 | A380 L381 N388 | A380-Q384 WeakPolarHBondContact O-CB 3.49Å; A380-Q384 PolarHBondContact O-N 3.38Å; L381-Q384 PolarHBondContact O-N 2.88Å; Q384-N388 WeakPolarHBondContact O-CB 3.3Å |
| 385 | I | 59.2 | Low | 62.3 | Low | 76 Ų | 76 | 96.7 Ų | 96.7 | 39% | 0.39 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -75 | -36.2 | 170.9 | -73.4 | 167.3 | 0 | 0 | 0 | 111.3 | L381 L382 Q383 | L381-I385 HydrophobicContact CG-CD1 4.36Å; L381-I385 WeakPolarHBondContact O-CB 3.37Å; L381-I385 VanDerWaalsContact O-CG1 3.3Å; L381-I385 WeakPolarHBondContact O-CG1 3.43Å; L381-I385 PolarHBondContact O-N 2.87Å; L382-I385 PolarHBondContact O-N 3.22Å; Q383-I385 VanDerWaalsContact C-N 3.27Å; Q383-I385 PolarHBondContact O-N 3.26Å |
| 386 | S | 66.3 | Low | 63 | Low | 81 Ų | 81 | 97.5 Ų | 97.5 | 57% | 0.566 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -76.4 | -35.3 | 178.5 | 72.7 | 0 | 0 | 0 | 0 | 114.3 | L382 Q383 N388 | L382-S386 WeakPolarHBondContact O-CB 3.48Å; L382-S386 PolarHBondContact O-N 3.34Å; L382-S386 PolarHBondContact O-OG 2.82Å; Q383-S386 WeakPolarHBondContact CA-OG 3.35Å; Q383-S386 CarbonylContact O-C 3.4Å; Q383-S386 WeakPolarHBondContact O-CA 3.32Å; Q383-S386 PolarHBondContact O-N 2.91Å; Q383-S386 PolarHBondContact O-OG 3.33Å; S386-N388 VanDerWaalsContact C-N 3.32Å |
| 387 | E | 67.5 | Low | 63.4 | Low | 141 Ų | 141 | 96.2 Ų | 96.2 | 66% | 0.659 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -77.9 | -19.3 | -179.8 | -71.2 | 179 | 109.1 | 0 | 0 | 112.7 | Q383 P389 | Q383-E387 HydrophobicContact CG-CG 4.4Å; Q383-E387 WeakPolarHBondContact CG-OE2 3.35Å; Q383-E387 WeakPolarHBondContact O-CG 3.44Å; Q383-E387 PolarHBondContact O-N 3.38Å; E387-P389 VanDerWaalsContact C-CD 3.48Å; E387-P389 WeakPolarHBondContact O-CD 3.43Å |
| 388 | N | 54.7 | Low | 63.9 | Low | 63 Ų | 63 | 89.5 Ų | 89.5 | 34% | 0.337 | 48% | 0.481 | S | S | . | . | trans | -113.9 | 78.6 | -172.5 | -160.2 | -17.9 | 0 | 0 | 0 | 111.1 | Q384 S386 Q390 L391 M392 | Q384-N388 WeakPolarHBondContact O-CB 3.3Å; S386-N388 VanDerWaalsContact C-N 3.32Å; N388-Q390 PolarHBondContact O-N 3.44Å; N388-Q390 VanDerWaalsContact O-N 3.15Å; N388-L391 HydrophobicContact CB-CB 3.81Å; N388-L391 HydrophobicContact CB-CD1 4.45Å; N388-L391 WeakPolarHBondContact O-CA 3.4Å; N388-L391 VanDerWaalsContact O-CB 3.26Å; N388-L391 WeakPolarHBondContact O-CB 3.13Å; N388-L391 PolarHBondContact O-N 3.44Å; N388-L391 PolarHBondContact OD1-N 3.02Å; N388-M392 PolarHBondContact O-N 3.38Å | ||
| 389 | P | 65.8 | Low | 64 | Low | 95 Ų | 95 | 88.6 Ų | 88.6 | 62% | 0.617 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.9 | -21.8 | 179.2 | 26.9 | -35.4 | 0 | 0 | 0 | 112.3 | E387 L391 M392 Q393 | E387-P389 VanDerWaalsContact C-CD 3.48Å; E387-P389 WeakPolarHBondContact O-CD 3.43Å; P389-L391 VanDerWaalsContact C-N 3.35Å; P389-M392 PolarHBondContact O-N 3.36Å; P389-Q393 VanDerWaalsContact O-CB 3.28Å; P389-Q393 WeakPolarHBondContact O-CB 3.44Å; P389-Q393 PolarHBondContact O-N 3.5Å |
| 390 | Q | 75.3 | Confident | 64.5 | Low | 143 Ų | 143 | 88.7 Ų | 88.7 | 67% | 0.668 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -68.6 | -32.9 | 170 | -65.9 | -178.3 | -19.8 | 0 | 0 | 112 | N388 Q393 N394 | N388-Q390 PolarHBondContact O-N 3.44Å; N388-Q390 VanDerWaalsContact O-N 3.15Å; Q390-Q393 WeakPolarHBondContact O-CB 3.46Å; Q390-Q393 PolarHBondContact O-N 2.8Å; Q390-N394 VanDerWaalsContact O-CB 3.27Å; Q390-N394 WeakPolarHBondContact O-CB 3.41Å; Q390-N394 PolarHBondContact O-N 3.02Å; Q390-N394 PolarHBondContact O-ND2 2.87Å; Q390-N394 PolarHBondContact O-OD1 3.25Å |
| 391 | L | 71.2 | Confident | 64.5 | Low | 55 Ų | 55 | 88.8 Ų | 88.8 | 29% | 0.288 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.3 | -43.7 | 173.8 | -157.6 | 168 | 0 | 0 | 0 | 110.2 | N388 P389 Q393 N394 V395 | N388-L391 HydrophobicContact CB-CB 3.81Å; N388-L391 HydrophobicContact CB-CD1 4.45Å; N388-L391 WeakPolarHBondContact O-CA 3.4Å; N388-L391 VanDerWaalsContact O-CB 3.26Å; N388-L391 WeakPolarHBondContact O-CB 3.13Å; N388-L391 PolarHBondContact O-N 3.44Å; N388-L391 PolarHBondContact OD1-N 3.02Å; P389-L391 VanDerWaalsContact C-N 3.35Å; L391-Q393 VanDerWaalsContact C-N 3.34Å; L391-Q393 PolarHBondContact O-N 3.17Å; L391-N394 PolarHBondContact O-N 3.34Å; L391-V395 HydrophobicContact CD2-CG2 4.09Å; L391-V395 WeakPolarHBondContact O-CG2 3.3Å; L391-V395 PolarHBondContact O-N 3.46Å |
| 392 | M | 61.7 | Low | 64.5 | Low | 112 Ų | 112 | 91.9 Ų | 91.9 | 55% | 0.552 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.2 | -38.1 | 171.8 | -164.5 | 169.5 | 92.9 | 0 | 0 | 112.1 | N388 P389 N394 V395 I396 | N388-M392 PolarHBondContact O-N 3.38Å; P389-M392 PolarHBondContact O-N 3.36Å; M392-N394 VanDerWaalsContact C-N 3.34Å; M392-N394 PolarHBondContact O-N 3.3Å; M392-V395 PolarHBondContact O-N 3.26Å; M392-I396 HydrophobicContact CE-CD1 4.15Å; M392-I396 HydrophobicContact CG-CD1 3.9Å; M392-I396 HydrophobicContact CG-CG1 4.47Å; M392-I396 WeakPolarHBondContact O-CB 3.41Å; M392-I396 VanDerWaalsContact O-CG1 3.28Å; M392-I396 WeakPolarHBondContact O-CG1 3.49Å; M392-I396 PolarHBondContact O-N 3.33Å |
| 393 | Q | 59.9 | Low | 65.1 | Low | 76 Ų | 76 | 87.4 Ų | 87.4 | 36% | 0.355 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.8 | -40.3 | 172.6 | -166.1 | 76.8 | 82.9 | 0 | 0 | 111.7 | P389 Q390 L391 I396 S397 | P389-Q393 VanDerWaalsContact O-CB 3.28Å; P389-Q393 WeakPolarHBondContact O-CB 3.44Å; P389-Q393 PolarHBondContact O-N 3.5Å; Q390-Q393 WeakPolarHBondContact O-CB 3.46Å; Q390-Q393 PolarHBondContact O-N 2.8Å; L391-Q393 VanDerWaalsContact C-N 3.34Å; L391-Q393 PolarHBondContact O-N 3.17Å; Q393-I396 PolarHBondContact O-N 2.85Å; Q393-S397 VanDerWaalsContact O-CB 3.26Å; Q393-S397 WeakPolarHBondContact O-CB 3.48Å; Q393-S397 PolarHBondContact O-N 3.02Å; Q393-S397 PolarHBondContact O-OG 2.96Å |
| 394 | N | 63.7 | Low | 65.4 | Low | 107 Ų | 107 | 86.1 Ų | 86.1 | 57% | 0.572 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -70.7 | -33.7 | 177.7 | -71.2 | -13.7 | 0 | 0 | 0 | 112.3 | Q390 L391 M392 A398 | Q390-N394 VanDerWaalsContact O-CB 3.27Å; Q390-N394 WeakPolarHBondContact O-CB 3.41Å; Q390-N394 PolarHBondContact O-N 3.02Å; Q390-N394 PolarHBondContact O-ND2 2.87Å; Q390-N394 PolarHBondContact O-OD1 3.25Å; L391-N394 PolarHBondContact O-N 3.34Å; M392-N394 VanDerWaalsContact C-N 3.34Å; M392-N394 PolarHBondContact O-N 3.3Å; N394-A398 WeakPolarHBondContact O-CA 3.31Å; N394-A398 WeakPolarHBondContact O-CB 3.37Å; N394-A398 PolarHBondContact O-N 2.68Å |
| 395 | V | 63.4 | Low | 65.5 | Low | 77 Ų | 77 | 83 Ų | 83 | 47% | 0.467 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.7 | -44.9 | 170.6 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | L391 M392 A398 M401 | L391-V395 HydrophobicContact CD2-CG2 4.09Å; L391-V395 WeakPolarHBondContact O-CG2 3.3Å; L391-V395 PolarHBondContact O-N 3.46Å; M392-V395 PolarHBondContact O-N 3.26Å; V395-A398 VanDerWaalsContact O-CB 3.27Å; V395-A398 WeakPolarHBondContact O-CB 3.49Å; V395-A398 PolarHBondContact O-N 3.12Å; V395-M401 HydrophobicContact CG1-SD 4.31Å; V395-M401 WeakPolarHBondContact O-CB 3.34Å |
| 396 | I | 62.2 | Low | 65.9 | Low | 60 Ų | 60 | 84 Ų | 84 | 31% | 0.308 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.5 | -36.2 | -179.9 | -70.8 | 169.7 | 0 | 0 | 0 | 112.2 | M392 Q393 M401 | M392-I396 HydrophobicContact CE-CD1 4.15Å; M392-I396 HydrophobicContact CG-CD1 3.9Å; M392-I396 HydrophobicContact CG-CG1 4.47Å; M392-I396 WeakPolarHBondContact O-CB 3.41Å; M392-I396 VanDerWaalsContact O-CG1 3.28Å; M392-I396 WeakPolarHBondContact O-CG1 3.49Å; M392-I396 PolarHBondContact O-N 3.33Å; Q393-I396 PolarHBondContact O-N 2.85Å; I396-M401 HydrophobicContact CB-CE 4.21Å; I396-M401 HydrophobicContact CG1-CE 4.19Å; I396-M401 HydrophobicContact CG1-SD 4.31Å; I396-M401 HydrophobicContact CG2-CE 4.2Å |
| 397 | S | 65.6 | Low | 66 | Low | 73 Ų | 73 | 81.6 Ų | 81.6 | 51% | 0.51 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -3.4 | 176.1 | 61.5 | 0 | 0 | 0 | 0 | 113.9 | Q393 | Q393-S397 VanDerWaalsContact O-CB 3.26Å; Q393-S397 WeakPolarHBondContact O-CB 3.48Å; Q393-S397 PolarHBondContact O-N 3.02Å; Q393-S397 PolarHBondContact O-OG 2.96Å |
| 398 | A | 69 | Low | 66.1 | Low | 26 Ų | 26 | 76.9 Ų | 76.9 | 22% | 0.215 | 40% | 0.397 | C | S | . | . | trans | -55.9 | 134.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | N394 V395 Y400 M401 R402 | N394-A398 WeakPolarHBondContact O-CA 3.31Å; N394-A398 WeakPolarHBondContact O-CB 3.37Å; N394-A398 PolarHBondContact O-N 2.68Å; V395-A398 VanDerWaalsContact O-CB 3.27Å; V395-A398 WeakPolarHBondContact O-CB 3.49Å; V395-A398 PolarHBondContact O-N 3.12Å; A398-Y400 PolarHBondContact O-N 3.45Å; A398-Y400 VanDerWaalsContact O-N 3.14Å; A398-M401 HydrophobicContact CB-CB 4.36Å; A398-M401 PolarHBondContact O-N 2.9Å; A398-R402 PolarHBondContact O-N 3.49Å | ||
| 399 | P | 66.1 | Low | 66.8 | Low | 61 Ų | 61 | 75 Ų | 75 | 40% | 0.396 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -56.9 | -34.5 | 176.4 | 24 | -33.3 | 0 | 0 | 0 | 110.5 | R402 T403 | P399-R402 PolarHBondContact O-N 2.92Å; P399-T403 VanDerWaalsContact O-CB 3.3Å; P399-T403 WeakPolarHBondContact O-CB 3.37Å; P399-T403 PolarHBondContact O-N 3.14Å; P399-T403 PolarHBondContact O-OG1 3.23Å |
| 400 | Y | 70.2 | Confident | 67.1 | Low | 110 Ų | 110 | 76.3 Ų | 76.3 | 43% | 0.431 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 175.6 | -160.7 | -89.9 | 0 | 0 | 0 | 113.8 | L209 A398 M404 | L209-Y400 HydrophobicContact CD1-CD2 4.11Å; L209-Y400 HydrophobicContact CD2-CD2 3.84Å; L209-Y400 HydrophobicContact CD2-CE2 4.4Å; A398-Y400 PolarHBondContact O-N 3.45Å; A398-Y400 VanDerWaalsContact O-N 3.14Å; Y400-M404 WeakPolarHBondContact O-CB 3.33Å; Y400-M404 PolarHBondContact O-N 2.6Å |
| 401 | M | 67.1 | Low | 66.9 | Low | 59 Ų | 59 | 73.3 Ų | 73.3 | 29% | 0.291 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -76.1 | -35.2 | 177.8 | -154.4 | -157.8 | 81.9 | 0 | 0 | 111.3 | V395 I396 A398 M404 M405 | V395-M401 HydrophobicContact CG1-SD 4.31Å; V395-M401 WeakPolarHBondContact O-CB 3.34Å; I396-M401 HydrophobicContact CB-CE 4.21Å; I396-M401 HydrophobicContact CG1-CE 4.19Å; I396-M401 HydrophobicContact CG1-SD 4.31Å; I396-M401 HydrophobicContact CG2-CE 4.2Å; A398-M401 HydrophobicContact CB-CB 4.36Å; A398-M401 PolarHBondContact O-N 2.9Å; M401-M404 PolarHBondContact O-N 2.82Å; M401-M405 WeakPolarHBondContact O-CB 3.48Å; M401-M405 PolarHBondContact O-N 3.15Å |
| 402 | R | 66.5 | Low | 66.8 | Low | 162 Ų | 162 | 74.2 Ų | 74.2 | 61% | 0.611 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.1 | -44.3 | 171.2 | -168.7 | -178.2 | -173.3 | 112.4 | 2.6 | 111.3 | A398 P399 M405 Q406 | A398-R402 PolarHBondContact O-N 3.49Å; P399-R402 PolarHBondContact O-N 2.92Å; R402-M405 PolarHBondContact O-N 2.98Å; R402-Q406 WeakPolarHBondContact O-CB 3.29Å; R402-Q406 PolarHBondContact O-N 3.18Å |
| 403 | T | 72.5 | Confident | 67.7 | Low | 31 Ų | 31 | 75.2 Ų | 75.2 | 19% | 0.19 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.6 | -45.5 | 174.7 | -62.4 | 0 | 0 | 0 | 0 | 111.3 | D202 P399 M405 Q406 T407 | D202-T403 WeakPolarHBondContact OD2-CG2 3.16Å; P399-T403 VanDerWaalsContact O-CB 3.3Å; P399-T403 WeakPolarHBondContact O-CB 3.37Å; P399-T403 PolarHBondContact O-N 3.14Å; P399-T403 PolarHBondContact O-OG1 3.23Å; T403-M405 VanDerWaalsContact C-N 3.33Å; T403-M405 PolarHBondContact O-N 3.24Å; T403-Q406 CarbonylContact O-C 3.6Å; T403-Q406 PolarHBondContact O-N 3.26Å; T403-T407 VanDerWaalsContact O-CB 3.28Å; T403-T407 WeakPolarHBondContact O-CB 3.45Å; T403-T407 PolarHBondContact O-N 3.22Å; T403-T407 PolarHBondContact O-OG1 3.47Å; T403-T407 VanDerWaalsContact O-OG1 3.08Å |
| 404 | M | 67.4 | Low | 68.3 | Low | 85 Ų | 85 | 75.5 Ų | 75.5 | 42% | 0.419 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -57.8 | -45.3 | 174.4 | 177 | 170.9 | -82.3 | 0 | 0 | 111.7 | Y400 M401 T407 L408 | Y400-M404 WeakPolarHBondContact O-CB 3.33Å; Y400-M404 PolarHBondContact O-N 2.6Å; M401-M404 PolarHBondContact O-N 2.82Å; M404-T407 PolarHBondContact O-N 3.23Å; M404-L408 VanDerWaalsContact O-CB 3.26Å; M404-L408 WeakPolarHBondContact O-CB 3.21Å; M404-L408 PolarHBondContact O-N 2.87Å |
| 405 | M | 61 | Low | 68.5 | Low | 50 Ų | 50 | 70.4 Ų | 70.4 | 25% | 0.246 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 177 | -178.2 | 175.2 | 176.2 | 0 | 0 | 112.3 | M401 R402 T403 A409 M446 L452 | M401-M405 WeakPolarHBondContact O-CB 3.48Å; M401-M405 PolarHBondContact O-N 3.15Å; R402-M405 PolarHBondContact O-N 2.98Å; T403-M405 VanDerWaalsContact C-N 3.33Å; T403-M405 PolarHBondContact O-N 3.24Å; M405-A409 VanDerWaalsContact O-CB 3.3Å; M405-A409 WeakPolarHBondContact O-CB 3.45Å; M405-A409 PolarHBondContact O-N 3.05Å; M405-M446 HydrophobicContact CE-CB 3.75Å; M405-M446 HydrophobicContact CE-CE 4.12Å; M405-M446 HydrophobicContact CE-CG 4.14Å; M405-M446 HydrophobicContact CE-SD 3.64Å; M405-L452 HydrophobicContact CE-CD2 3.91Å |
| 406 | Q | 67.1 | Low | 68.7 | Low | 97 Ų | 97 | 68.7 Ų | 68.7 | 45% | 0.453 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -76.8 | -34.6 | 178 | -171.3 | 157.9 | -30.1 | 0 | 0 | 112.4 | R402 T403 A409 Q410 | R402-Q406 WeakPolarHBondContact O-CB 3.29Å; R402-Q406 PolarHBondContact O-N 3.18Å; T403-Q406 CarbonylContact O-C 3.6Å; T403-Q406 PolarHBondContact O-N 3.26Å; Q406-A409 CarbonylContact O-C 3.57Å; Q406-A409 WeakPolarHBondContact O-CB 3.23Å; Q406-A409 PolarHBondContact O-N 2.81Å; Q406-Q410 HydrophobicContact CG-CG 4.37Å; Q406-Q410 WeakPolarHBondContact O-CB 3.45Å; Q406-Q410 VanDerWaalsContact O-CG 3.25Å; Q406-Q410 WeakPolarHBondContact O-CG 3.5Å; Q406-Q410 PolarHBondContact O-N 3.16Å |
| 407 | T | 68.3 | Low | 68.9 | Low | 30 Ų | 30 | 71 Ų | 71 | 18% | 0.184 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.9 | -36.9 | 171 | -65.4 | 0 | 0 | 0 | 0 | 110.9 | T403 M404 A409 Q410 N411 F414 | T403-T407 VanDerWaalsContact O-CB 3.28Å; T403-T407 WeakPolarHBondContact O-CB 3.45Å; T403-T407 PolarHBondContact O-N 3.22Å; T403-T407 PolarHBondContact O-OG1 3.47Å; T403-T407 VanDerWaalsContact O-OG1 3.08Å; M404-T407 PolarHBondContact O-N 3.23Å; T407-A409 VanDerWaalsContact C-N 3.26Å; T407-A409 PolarHBondContact O-N 3.22Å; T407-Q410 PolarHBondContact O-N 3.11Å; T407-N411 WeakPolarHBondContact O-CA 3.41Å; T407-N411 WeakPolarHBondContact O-CB 3.48Å; T407-N411 PolarHBondContact O-N 3.14Å; T407-F414 HydrophobicContact CG2-CD1 3.77Å; T407-F414 HydrophobicContact CG2-CE1 4.04Å; T407-F414 HydrophobicContact CG2-CG 4.37Å |
| 408 | L | 68.8 | Low | 68.7 | Low | 43 Ų | 43 | 70.3 Ų | 70.3 | 23% | 0.225 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.3 | -31.5 | 169.2 | -155.5 | 81.2 | 0 | 0 | 0 | 112 | M404 A415 M418 | M404-L408 VanDerWaalsContact O-CB 3.26Å; M404-L408 WeakPolarHBondContact O-CB 3.21Å; M404-L408 PolarHBondContact O-N 2.87Å; L408-A415 HydrophobicContact CD1-CB 3.41Å; L408-A415 VanDerWaalsContact CD1-CB 3.41Å; L408-A415 HydrophobicContact CG-CB 3.74Å; L408-M418 HydrophobicContact CD1-CE 3.66Å |
| 409 | A | 69.3 | Low | 68.2 | Low | 22 Ų | 22 | 70.8 Ų | 70.8 | 18% | 0.182 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -82.1 | -29.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | M405 Q406 T407 L443 | M405-A409 VanDerWaalsContact O-CB 3.3Å; M405-A409 WeakPolarHBondContact O-CB 3.45Å; M405-A409 PolarHBondContact O-N 3.05Å; Q406-A409 CarbonylContact O-C 3.57Å; Q406-A409 WeakPolarHBondContact O-CB 3.23Å; Q406-A409 PolarHBondContact O-N 2.81Å; T407-A409 VanDerWaalsContact C-N 3.26Å; T407-A409 PolarHBondContact O-N 3.22Å; A409-L443 HydrophobicContact CB-CD2 3.7Å |
| 410 | Q | 72.8 | Confident | 68.3 | Low | 124 Ų | 124 | 71.2 Ų | 71.2 | 58% | 0.579 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -92.5 | -32.1 | -179.8 | -71.3 | 176.5 | -8.1 | 0 | 0 | 112.4 | Q406 T407 P412 | Q406-Q410 HydrophobicContact CG-CG 4.37Å; Q406-Q410 WeakPolarHBondContact O-CB 3.45Å; Q406-Q410 VanDerWaalsContact O-CG 3.25Å; Q406-Q410 WeakPolarHBondContact O-CG 3.5Å; Q406-Q410 PolarHBondContact O-N 3.16Å; T407-Q410 PolarHBondContact O-N 3.11Å; Q410-P412 VanDerWaalsContact O-CD 3.32Å; Q410-P412 WeakPolarHBondContact O-CD 3.2Å |
| 411 | N | 72 | Confident | 68 | Low | 80 Ų | 80 | 71.6 Ų | 71.6 | 43% | 0.428 | 37% | 0.368 | S | S | . | . | trans | -116 | 84.9 | 179.2 | -62.5 | -65.7 | 0 | 0 | 0 | 110.4 | T407 D413 F414 A415 | T407-N411 WeakPolarHBondContact O-CA 3.41Å; T407-N411 WeakPolarHBondContact O-CB 3.48Å; T407-N411 PolarHBondContact O-N 3.14Å; N411-D413 PolarHBondContact O-N 2.95Å; N411-F414 HydrophobicContact CB-CB 3.49Å; N411-F414 VanDerWaalsContact CB-CB 3.49Å; N411-F414 WeakPolarHBondContact O-CB 3.33Å; N411-F414 PolarHBondContact O-N 3.34Å; N411-A415 PolarHBondContact O-N 3.04Å | ||
| 412 | P | 69.1 | Low | 67.8 | Low | 73 Ų | 73 | 71.4 Ų | 71.4 | 47% | 0.474 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.8 | -28.8 | 172.8 | 25.7 | -34.4 | 0 | 0 | 0 | 112.2 | Q410 A415 A416 | Q410-P412 VanDerWaalsContact O-CD 3.32Å; Q410-P412 WeakPolarHBondContact O-CD 3.2Å; P412-A415 WeakPolarHBondContact O-CB 3.35Å; P412-A415 PolarHBondContact O-N 3.45Å; P412-A416 WeakPolarHBondContact O-CB 3.13Å; P412-A416 PolarHBondContact O-N 3.35Å |
| 413 | D | 79.1 | Confident | 67.6 | Low | 134 Ų | 134 | 69.2 Ų | 69.2 | 72% | 0.717 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -67.4 | -35.8 | 170 | -86 | -87.7 | 0 | 0 | 0 | 113.2 | N411 A416 Q417 | N411-D413 PolarHBondContact O-N 2.95Å; D413-A416 PolarHBondContact O-N 3.18Å; D413-Q417 VanDerWaalsContact O-CB 3.25Å; D413-Q417 WeakPolarHBondContact O-CB 3.32Å; D413-Q417 PolarHBondContact O-N 3.42Å |
| 414 | F | 73.7 | Confident | 67.2 | Low | 82 Ų | 82 | 74.6 Ų | 74.6 | 36% | 0.36 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -70.2 | -35.7 | 173.4 | -174 | -104.7 | 0 | 0 | 0 | 111.3 | T407 N411 Q417 M418 | T407-F414 HydrophobicContact CG2-CD1 3.77Å; T407-F414 HydrophobicContact CG2-CE1 4.04Å; T407-F414 HydrophobicContact CG2-CG 4.37Å; N411-F414 HydrophobicContact CB-CB 3.49Å; N411-F414 VanDerWaalsContact CB-CB 3.49Å; N411-F414 WeakPolarHBondContact O-CB 3.33Å; N411-F414 PolarHBondContact O-N 3.34Å; F414-Q417 PolarHBondContact O-N 3.22Å; F414-M418 HydrophobicContact CD1-CE 4Å; F414-M418 HydrophobicContact CD1-CG 4.34Å; F414-M418 HydrophobicContact CD1-SD 4.42Å; F414-M418 HydrophobicContact CE1-CE 3.57Å; F414-M418 HydrophobicContact CE1-CG 3.99Å; F414-M418 HydrophobicContact CE1-SD 3.64Å; F414-M418 HydrophobicContact CE2-CG 4.47Å; F414-M418 HydrophobicContact CZ-CE 4.4Å; F414-M418 HydrophobicContact CZ-CG 4.06Å; F414-M418 HydrophobicContact CZ-SD 3.86Å; F414-M418 WeakPolarHBondContact O-CG 3.25Å; F414-M418 PolarHBondContact O-N 3.06Å |
| 415 | A | 66.7 | Low | 66.9 | Low | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.7 | -47 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L408 N411 P412 M418 M419 L439 | L408-A415 HydrophobicContact CD1-CB 3.41Å; L408-A415 VanDerWaalsContact CD1-CB 3.41Å; L408-A415 HydrophobicContact CG-CB 3.74Å; N411-A415 PolarHBondContact O-N 3.04Å; P412-A415 WeakPolarHBondContact O-CB 3.35Å; P412-A415 PolarHBondContact O-N 3.45Å; A415-M418 PolarHBondContact O-N 2.76Å; A415-M419 WeakPolarHBondContact O-CB 3.42Å; A415-M419 VanDerWaalsContact O-CG 3.26Å; A415-M419 WeakPolarHBondContact O-CG 3.42Å; A415-M419 PolarHBondContact O-N 2.97Å; A415-L439 HydrophobicContact CB-CD2 4.01Å |
| 416 | A | 67.9 | Low | 66.9 | Low | 41 Ų | 41 | 74.8 Ų | 74.8 | 34% | 0.339 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P412 D413 M419 V420 | P412-A416 WeakPolarHBondContact O-CB 3.13Å; P412-A416 PolarHBondContact O-N 3.35Å; D413-A416 PolarHBondContact O-N 3.18Å; A416-M419 CarbonylContact O-C 3.56Å; A416-M419 PolarHBondContact O-N 2.66Å; A416-V420 WeakPolarHBondContact O-CG2 3.48Å; A416-V420 PolarHBondContact O-N 3.09Å |
| 417 | Q | 66.2 | Low | 66.9 | Low | 109 Ų | 109 | 72.9 Ų | 72.9 | 51% | 0.509 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 178.9 | -170 | 66.9 | 68.8 | 0 | 0 | 112.1 | D413 F414 M419 V420 N421 | D413-Q417 VanDerWaalsContact O-CB 3.25Å; D413-Q417 WeakPolarHBondContact O-CB 3.32Å; D413-Q417 PolarHBondContact O-N 3.42Å; F414-Q417 PolarHBondContact O-N 3.22Å; Q417-M419 VanDerWaalsContact C-N 3.35Å; Q417-V420 PolarHBondContact O-N 2.94Å; Q417-N421 PolarHBondContact NE2-OD1 2.81Å; Q417-N421 WeakPolarHBondContact O-CB 3.34Å; Q417-N421 PolarHBondContact O-N 2.89Å; Q417-N421 PolarHBondContact O-OD1 3.23Å; Q417-N421 VanDerWaalsContact O-OD1 3.13Å |
| 418 | M | 62.5 | Low | 66.8 | Low | 58 Ų | 58 | 75.8 Ų | 75.8 | 29% | 0.286 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.8 | -37.2 | 172.7 | -72.7 | -152.8 | -62.1 | 0 | 0 | 111.9 | L408 F414 A415 N421 V422 | L408-M418 HydrophobicContact CD1-CE 3.66Å; F414-M418 HydrophobicContact CD1-CE 4Å; F414-M418 HydrophobicContact CD1-CG 4.34Å; F414-M418 HydrophobicContact CD1-SD 4.42Å; F414-M418 HydrophobicContact CE1-CE 3.57Å; F414-M418 HydrophobicContact CE1-CG 3.99Å; F414-M418 HydrophobicContact CE1-SD 3.64Å; F414-M418 HydrophobicContact CE2-CG 4.47Å; F414-M418 HydrophobicContact CZ-CE 4.4Å; F414-M418 HydrophobicContact CZ-CG 4.06Å; F414-M418 HydrophobicContact CZ-SD 3.86Å; F414-M418 WeakPolarHBondContact O-CG 3.25Å; F414-M418 PolarHBondContact O-N 3.06Å; A415-M418 PolarHBondContact O-N 2.76Å; M418-N421 PolarHBondContact O-N 3.33Å; M418-V422 WeakPolarHBondContact O-CB 3.4Å; M418-V422 VanDerWaalsContact O-CG2 3.25Å; M418-V422 WeakPolarHBondContact O-CG2 3.27Å; M418-V422 PolarHBondContact O-N 3.24Å |
| 419 | M | 58.2 | Low | 67 | Low | 35 Ų | 35 | 78 Ų | 78 | 17% | 0.172 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -67.3 | -36 | 173.5 | -70.1 | 174.1 | -173.9 | 0 | 0 | 112.6 | A415 A416 Q417 F425 L435 L439 | A415-M419 WeakPolarHBondContact O-CB 3.42Å; A415-M419 VanDerWaalsContact O-CG 3.26Å; A415-M419 WeakPolarHBondContact O-CG 3.42Å; A415-M419 PolarHBondContact O-N 2.97Å; A416-M419 CarbonylContact O-C 3.56Å; A416-M419 PolarHBondContact O-N 2.66Å; Q417-M419 VanDerWaalsContact C-N 3.35Å; M419-F425 VanDerWaalsContact O-CB 3.29Å; M419-F425 WeakPolarHBondContact O-CB 3.38Å; M419-L435 HydrophobicContact CE-CD2 3.6Å; M419-L435 HydrophobicContact CE-CG 4.08Å; M419-L435 HydrophobicContact SD-CD2 3.67Å; M419-L435 HydrophobicContact SD-CG 4.19Å; M419-L439 HydrophobicContact CE-CD1 3.85Å |
| 420 | V | 67 | Low | 67.3 | Low | 71 Ų | 71 | 84.9 Ų | 84.9 | 43% | 0.43 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 172 | 167.9 | 0 | 0 | 0 | 0 | 111.3 | A416 Q417 Q432 | A416-V420 WeakPolarHBondContact O-CG2 3.48Å; A416-V420 PolarHBondContact O-N 3.09Å; Q417-V420 PolarHBondContact O-N 2.94Å; V420-Q432 VanDerWaalsContact CG2-NE2 3.28Å |
| 421 | N | 64 | Low | 67.2 | Low | 117 Ų | 117 | 82.4 Ų | 82.4 | 63% | 0.626 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -81 | -14.5 | -178.1 | -79.5 | 50.8 | 0 | 0 | 0 | 114.3 | Q417 M418 | Q417-N421 PolarHBondContact NE2-OD1 2.81Å; Q417-N421 WeakPolarHBondContact O-CB 3.34Å; Q417-N421 PolarHBondContact O-N 2.89Å; Q417-N421 PolarHBondContact O-OD1 3.23Å; Q417-N421 VanDerWaalsContact O-OD1 3.13Å; M418-N421 PolarHBondContact O-N 3.33Å |
| 422 | V | 64.3 | Low | 66.9 | Low | 55 Ų | 55 | 81.7 Ų | 81.7 | 33% | 0.333 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -84.4 | 119.9 | 176.7 | 163.7 | 0 | 0 | 0 | 0 | 110.2 | M418 L424 F425 A426 | M418-V422 WeakPolarHBondContact O-CB 3.4Å; M418-V422 VanDerWaalsContact O-CG2 3.25Å; M418-V422 WeakPolarHBondContact O-CG2 3.27Å; M418-V422 PolarHBondContact O-N 3.24Å; V422-L424 HydrophobicContact CG1-CB 3.91Å; V422-L424 HydrophobicContact CG1-CG 4.46Å; V422-L424 PolarHBondContact O-N 3.46Å; V422-L424 VanDerWaalsContact O-N 3.08Å; V422-F425 HydrophobicContact CB-CD2 3.95Å; V422-F425 HydrophobicContact CG1-CD2 3.52Å; V422-F425 HydrophobicContact CG1-CE2 4.06Å; V422-F425 HydrophobicContact CG1-CG 4.38Å; V422-F425 PolarHBondContact O-N 3.24Å; V422-A426 PolarHBondContact O-N 2.97Å |
| 423 | P | 62 | Low | 67.1 | Low | 117 Ų | 117 | 83.3 Ų | 83.3 | 76% | 0.76 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.9 | -16.1 | -174.6 | 25.3 | -34.5 | 0 | 0 | 0 | 114.4 | F425 | P423-F425 VanDerWaalsContact C-N 3.33Å |
| 424 | L | 63.2 | Low | 66.7 | Low | 144 Ų | 144 | 83 Ų | 83 | 75% | 0.754 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -73.4 | -22.4 | 172.1 | -63.5 | 171.7 | 0 | 0 | 0 | 113.4 | V422 | V422-L424 HydrophobicContact CG1-CB 3.91Å; V422-L424 HydrophobicContact CG1-CG 4.46Å; V422-L424 PolarHBondContact O-N 3.46Å; V422-L424 VanDerWaalsContact O-N 3.08Å |
| 425 | F | 61.2 | Low | 66.2 | Low | 76 Ų | 76 | 81.2 Ų | 81.2 | 33% | 0.333 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -110 | -30.9 | -177.8 | -64.9 | -56.5 | 0 | 0 | 0 | 112.4 | M419 V422 P423 G427 N428 L431 | M419-F425 VanDerWaalsContact O-CB 3.29Å; M419-F425 WeakPolarHBondContact O-CB 3.38Å; V422-F425 HydrophobicContact CB-CD2 3.95Å; V422-F425 HydrophobicContact CG1-CD2 3.52Å; V422-F425 HydrophobicContact CG1-CE2 4.06Å; V422-F425 HydrophobicContact CG1-CG 4.38Å; V422-F425 PolarHBondContact O-N 3.24Å; P423-F425 VanDerWaalsContact C-N 3.33Å; F425-G427 PolarHBondContact O-N 3.03Å; F425-G427 VanDerWaalsContact O-N 3.1Å; F425-N428 PolarHBondContact O-N 2.81Å; F425-L431 HydrophobicContact CD1-CD2 3.7Å; F425-L431 HydrophobicContact CE1-CD2 3.77Å |
| 426 | A | 61.1 | Low | 66.4 | Low | 62 Ų | 62 | 89 Ų | 89 | 51% | 0.512 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -55.3 | -26.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V422 | V422-A426 PolarHBondContact O-N 2.97Å |
| 427 | G | 67.7 | Low | 66.7 | Low | 58 Ų | 58 | 93.2 Ų | 93.2 | 60% | 0.598 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -9.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | F425 P429 | F425-G427 PolarHBondContact O-N 3.03Å; F425-G427 VanDerWaalsContact O-N 3.1Å; G427-P429 WeakPolarHBondContact O-CD 3.36Å |
| 428 | N | 66.2 | Low | 66.8 | Low | 90 Ų | 90 | 93.6 Ų | 93.6 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | trans | -128.6 | 67.3 | -162.2 | -111.3 | 60 | 0 | 0 | 0 | 112.7 | F425 Q430 L431 Q432 | F425-N428 PolarHBondContact O-N 2.81Å; N428-Q430 VanDerWaalsContact C-N 3.25Å; N428-Q430 PolarHBondContact O-N 2.99Å; N428-L431 HydrophobicContact CB-CB 4.14Å; N428-L431 PolarHBondContact O-N 2.85Å; N428-Q432 PolarHBondContact O-N 3.01Å | ||
| 429 | P | 71.9 | Confident | 67 | Low | 89 Ų | 89 | 91.7 Ų | 91.7 | 58% | 0.578 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.1 | -33.3 | -176 | 23.7 | -34.4 | 0 | 0 | 0 | 113.2 | G427 L431 Q432 E433 | G427-P429 WeakPolarHBondContact O-CD 3.36Å; P429-L431 VanDerWaalsContact C-N 3.32Å; P429-L431 PolarHBondContact O-N 3.16Å; P429-Q432 WeakPolarHBondContact O-CB 3.34Å; P429-Q432 PolarHBondContact O-N 3.41Å; P429-E433 PolarHBondContact O-N 3.04Å |
| 430 | Q | 76.7 | Confident | 67.5 | Low | 168 Ų | 168 | 94 Ų | 94 | 79% | 0.785 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66 | -33.4 | 176.7 | -166.2 | 178.1 | 16.5 | 0 | 0 | 112.8 | N428 Q434 | N428-Q430 VanDerWaalsContact C-N 3.25Å; N428-Q430 PolarHBondContact O-N 2.99Å; Q430-Q434 PolarHBondContact O-N 3.28Å |
| 431 | L | 70.8 | Confident | 68 | Low | 72 Ų | 72 | 95.4 Ų | 95.4 | 38% | 0.377 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -78.2 | -33.9 | 175 | -170.5 | 137.1 | 0 | 0 | 0 | 111.1 | F425 N428 P429 E433 Q434 L435 | F425-L431 HydrophobicContact CD1-CD2 3.7Å; F425-L431 HydrophobicContact CE1-CD2 3.77Å; N428-L431 HydrophobicContact CB-CB 4.14Å; N428-L431 PolarHBondContact O-N 2.85Å; P429-L431 VanDerWaalsContact C-N 3.32Å; P429-L431 PolarHBondContact O-N 3.16Å; L431-E433 VanDerWaalsContact C-N 3.33Å; L431-Q434 PolarHBondContact O-N 2.76Å; L431-L435 HydrophobicContact CD2-CD2 4.44Å; L431-L435 WeakPolarHBondContact O-CB 3.42Å; L431-L435 PolarHBondContact O-N 3.02Å |
| 432 | Q | 66.3 | Low | 68.2 | Low | 65 Ų | 65 | 95 Ų | 95 | 30% | 0.304 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.1 | -44.1 | 170.9 | -168.3 | 172.8 | 40 | 0 | 0 | 111.1 | V420 N428 P429 L435 R436 | V420-Q432 VanDerWaalsContact CG2-NE2 3.28Å; N428-Q432 PolarHBondContact O-N 3.01Å; P429-Q432 WeakPolarHBondContact O-CB 3.34Å; P429-Q432 PolarHBondContact O-N 3.41Å; Q432-L435 PolarHBondContact O-N 3.12Å; Q432-R436 WeakPolarHBondContact O-CB 3.33Å; Q432-R436 PolarHBondContact O-N 3.4Å |
| 433 | E | 73.1 | Confident | 68.2 | Low | 107 Ų | 107 | 93.2 Ų | 93.2 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.5 | -45.5 | 177.4 | -148 | 75.1 | 94.2 | 0 | 0 | 112.5 | P429 L431 R436 L437 | P429-E433 PolarHBondContact O-N 3.04Å; L431-E433 VanDerWaalsContact C-N 3.33Å; E433-R436 PolarHBondContact O-N 2.96Å; E433-R436 IonicContact OE2-CZ 3.89Å; E433-R436 IonicContact OE2-NE 3.19Å; E433-R436 PolarHBondContact OE2-NE 3Å; E433-R436 IonicContact OE2-NH2 3.66Å; E433-L437 WeakPolarHBondContact O-CG 3.2Å; E433-L437 PolarHBondContact O-N 3.23Å; E433-L437 VanDerWaalsContact O-N 3.11Å |
| 434 | Q | 70.1 | Confident | 68.4 | Low | 126 Ų | 126 | 94.3 Ų | 94.3 | 59% | 0.589 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.1 | -43.2 | 176.2 | 179.7 | 175.8 | -24.9 | 0 | 0 | 112 | Q430 L431 L437 Q438 | Q430-Q434 PolarHBondContact O-N 3.28Å; L431-Q434 PolarHBondContact O-N 2.76Å; Q434-L437 PolarHBondContact O-N 2.91Å; Q434-Q438 PolarHBondContact O-N 3.42Å |
| 435 | L | 63.9 | Low | 68.5 | Low | 45 Ų | 45 | 93.3 Ų | 93.3 | 24% | 0.236 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -69.1 | -35.6 | 179.8 | -170.3 | 55.5 | 0 | 0 | 0 | 111 | M419 L431 Q432 L437 Q438 L439 | M419-L435 HydrophobicContact CE-CD2 3.6Å; M419-L435 HydrophobicContact CE-CG 4.08Å; M419-L435 HydrophobicContact SD-CD2 3.67Å; M419-L435 HydrophobicContact SD-CG 4.19Å; L431-L435 HydrophobicContact CD2-CD2 4.44Å; L431-L435 WeakPolarHBondContact O-CB 3.42Å; L431-L435 PolarHBondContact O-N 3.02Å; Q432-L435 PolarHBondContact O-N 3.12Å; L435-L437 VanDerWaalsContact C-N 3.33Å; L435-L437 PolarHBondContact O-N 2.79Å; L435-Q438 PolarHBondContact O-N 3.2Å; L435-L439 HydrophobicContact CD1-CD1 4.33Å; L435-L439 HydrophobicContact CG-CD1 4.25Å; L435-L439 WeakPolarHBondContact O-CB 3.34Å; L435-L439 PolarHBondContact O-N 3.43Å |
| 436 | R | 69.3 | Low | 68.4 | Low | 163 Ų | 163 | 91.6 Ų | 91.6 | 62% | 0.615 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.8 | -34.3 | 172.6 | -165.8 | 179.5 | 79.4 | 83.6 | -0 | 112.8 | Q432 E433 P440 | Q432-R436 WeakPolarHBondContact O-CB 3.33Å; Q432-R436 PolarHBondContact O-N 3.4Å; E433-R436 PolarHBondContact O-N 2.96Å; E433-R436 IonicContact OE2-CZ 3.89Å; E433-R436 IonicContact OE2-NE 3.19Å; E433-R436 PolarHBondContact OE2-NE 3Å; E433-R436 IonicContact OE2-NH2 3.66Å; R436-P440 WeakPolarHBondContact O-CD 3.26Å |
| 437 | L | 74.3 | Confident | 68.7 | Low | 130 Ų | 130 | 94.2 Ų | 94.2 | 68% | 0.681 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -73.1 | -33.3 | 173.1 | -74.5 | 167.1 | 0 | 0 | 0 | 112.9 | E433 Q434 L435 | E433-L437 WeakPolarHBondContact O-CG 3.2Å; E433-L437 PolarHBondContact O-N 3.23Å; E433-L437 VanDerWaalsContact O-N 3.11Å; Q434-L437 PolarHBondContact O-N 2.91Å; L435-L437 VanDerWaalsContact C-N 3.33Å; L435-L437 PolarHBondContact O-N 2.79Å |
| 438 | Q | 69.5 | Low | 68.5 | Low | 117 Ų | 117 | 95.1 Ų | 95.1 | 55% | 0.547 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -87 | -24.3 | -179.1 | -162.3 | 165.5 | 37 | 0 | 0 | 113.4 | Q434 L435 P440 V441 F442 | Q434-Q438 PolarHBondContact O-N 3.42Å; L435-Q438 PolarHBondContact O-N 3.2Å; Q438-P440 VanDerWaalsContact C-CD 3.49Å; Q438-V441 PolarHBondContact O-N 3.25Å; Q438-F442 WeakPolarHBondContact O-CB 3.21Å; Q438-F442 PolarHBondContact O-N 3.16Å |
| 439 | L | 66.6 | Low | 68.5 | Low | 19 Ų | 19 | 95.3 Ų | 95.3 | 10% | 0.099 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -51.4 | -45.7 | -177.1 | -140 | 74.3 | 0 | 0 | 0 | 114.1 | A415 M419 L435 V441 F442 L443 | A415-L439 HydrophobicContact CB-CD2 4.01Å; M419-L439 HydrophobicContact CE-CD1 3.85Å; L435-L439 HydrophobicContact CD1-CD1 4.33Å; L435-L439 HydrophobicContact CG-CD1 4.25Å; L435-L439 WeakPolarHBondContact O-CB 3.34Å; L435-L439 PolarHBondContact O-N 3.43Å; L439-V441 PolarHBondContact O-N 3.05Å; L439-F442 PolarHBondContact O-N 3.36Å; L439-L443 HydrophobicContact CD2-CD1 4.45Å; L439-L443 HydrophobicContact CG-CD1 4.27Å; L439-L443 VanDerWaalsContact O-CB 3.27Å; L439-L443 WeakPolarHBondContact O-CB 3.38Å; L439-L443 WeakPolarHBondContact O-CG 3.25Å; L439-L443 PolarHBondContact O-N 2.84Å |
| 440 | P | 68.7 | Low | 68.6 | Low | 84 Ų | 84 | 97.9 Ų | 97.9 | 55% | 0.545 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.9 | -39.9 | -178.2 | -22.2 | 34.6 | 0 | 0 | 0 | 112.5 | R436 Q438 Q444 | R436-P440 WeakPolarHBondContact O-CD 3.26Å; Q438-P440 VanDerWaalsContact C-CD 3.49Å; P440-Q444 VanDerWaalsContact O-CB 3.22Å; P440-Q444 WeakPolarHBondContact O-CB 3.46Å; P440-Q444 PolarHBondContact O-N 3.04Å |
| 441 | V | 76.4 | Confident | 68.3 | Low | 100 Ų | 100 | 91.1 Ų | 91.1 | 61% | 0.606 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -70 | -43.3 | 178.6 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | Q438 L439 Q444 Q445 | Q438-V441 PolarHBondContact O-N 3.25Å; L439-V441 PolarHBondContact O-N 3.05Å; V441-Q444 PolarHBondContact O-N 3.29Å; V441-Q445 WeakPolarHBondContact O-CB 3.4Å; V441-Q445 PolarHBondContact O-N 3.15Å |
| 442 | F | 68.2 | Low | 68.1 | Low | 109 Ų | 109 | 90.6 Ų | 90.6 | 48% | 0.478 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 177.6 | -176.1 | -120.2 | 0 | 0 | 0 | 112.3 | Q438 L439 Q445 M446 | Q438-F442 WeakPolarHBondContact O-CB 3.21Å; Q438-F442 PolarHBondContact O-N 3.16Å; L439-F442 PolarHBondContact O-N 3.36Å; F442-Q445 PolarHBondContact O-N 3.45Å; F442-M446 HydrophobicContact CD1-CE 3.73Å; F442-M446 HydrophobicContact CD1-SD 4.35Å; F442-M446 HydrophobicContact CD2-CG 4.41Å; F442-M446 HydrophobicContact CE1-CE 3.34Å; F442-M446 HydrophobicContact CE1-CG 4.46Å; F442-M446 HydrophobicContact CE1-SD 3.62Å; F442-M446 HydrophobicContact CE2-CG 4.09Å; F442-M446 HydrophobicContact CE2-SD 3.99Å; F442-M446 HydrophobicContact CZ-CE 3.83Å; F442-M446 HydrophobicContact CZ-CG 4.12Å; F442-M446 HydrophobicContact CZ-SD 3.41Å; F442-M446 WeakPolarHBondContact CZ-SD 3.38Å; F442-M446 WeakPolarHBondContact O-CB 3.18Å; F442-M446 WeakPolarHBondContact O-CG 3.49Å; F442-M446 PolarHBondContact O-N 2.87Å |
| 443 | L | 65.6 | Low | 68.3 | Low | 17 Ų | 17 | 90.4 Ų | 90.4 | 9% | 0.089 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -67.2 | -44.3 | 173.9 | -78.2 | 176 | 0 | 0 | 0 | 112.3 | A409 L439 Q445 M446 Q447 | A409-L443 HydrophobicContact CB-CD2 3.7Å; L439-L443 HydrophobicContact CD2-CD1 4.45Å; L439-L443 HydrophobicContact CG-CD1 4.27Å; L439-L443 VanDerWaalsContact O-CB 3.27Å; L439-L443 WeakPolarHBondContact O-CB 3.38Å; L439-L443 WeakPolarHBondContact O-CG 3.25Å; L439-L443 PolarHBondContact O-N 2.84Å; L443-Q445 PolarHBondContact O-N 2.95Å; L443-M446 HydrophobicContact CD2-CE 4.1Å; L443-M446 PolarHBondContact O-N 3.36Å; L443-Q447 WeakPolarHBondContact O-CB 3.19Å; L443-Q447 VanDerWaalsContact O-CG 3.28Å; L443-Q447 WeakPolarHBondContact O-CG 3.46Å; L443-Q447 PolarHBondContact O-N 2.81Å |
| 444 | Q | 66.6 | Low | 68.3 | Low | 140 Ų | 140 | 88.5 Ų | 88.5 | 65% | 0.654 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -60.7 | -38.5 | 175 | -169.5 | 121.5 | 94 | 0 | 0 | 110.8 | P440 V441 N448 | P440-Q444 VanDerWaalsContact O-CB 3.22Å; P440-Q444 WeakPolarHBondContact O-CB 3.46Å; P440-Q444 PolarHBondContact O-N 3.04Å; V441-Q444 PolarHBondContact O-N 3.29Å; Q444-N448 PolarHBondContact O-ND2 2.84Å |
| 445 | Q | 63.4 | Low | 68.1 | Low | 123 Ų | 123 | 88 Ų | 88 | 58% | 0.575 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66.3 | -52.1 | 174.4 | -167.1 | 153.6 | 25.3 | 0 | 0 | 111.4 | V441 F442 L443 Q447 N448 S451 | V441-Q445 WeakPolarHBondContact O-CB 3.4Å; V441-Q445 PolarHBondContact O-N 3.15Å; F442-Q445 PolarHBondContact O-N 3.45Å; L443-Q445 PolarHBondContact O-N 2.95Å; Q445-Q447 VanDerWaalsContact C-N 3.26Å; Q445-Q447 PolarHBondContact O-N 3.2Å; Q445-N448 VanDerWaalsContact O-CB 3.32Å; Q445-N448 WeakPolarHBondContact O-CB 3.36Å; Q445-N448 PolarHBondContact O-N 3.18Å; Q445-N448 PolarHBondContact O-ND2 3.41Å; Q445-S451 WeakPolarHBondContact O-CB 3.45Å; Q445-S451 PolarHBondContact O-OG 2.85Å |
| 446 | M | 60.6 | Low | 68.5 | Low | 39 Ų | 39 | 89.3 Ų | 89.3 | 19% | 0.192 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -65 | -21.7 | -180 | -73.3 | -160.3 | -53.9 | 0 | 0 | 114.9 | M405 F442 L443 N448 | M405-M446 HydrophobicContact CE-CB 3.75Å; M405-M446 HydrophobicContact CE-CE 4.12Å; M405-M446 HydrophobicContact CE-CG 4.14Å; M405-M446 HydrophobicContact CE-SD 3.64Å; F442-M446 HydrophobicContact CD1-CE 3.73Å; F442-M446 HydrophobicContact CD1-SD 4.35Å; F442-M446 HydrophobicContact CD2-CG 4.41Å; F442-M446 HydrophobicContact CE1-CE 3.34Å; F442-M446 HydrophobicContact CE1-CG 4.46Å; F442-M446 HydrophobicContact CE1-SD 3.62Å; F442-M446 HydrophobicContact CE2-CG 4.09Å; F442-M446 HydrophobicContact CE2-SD 3.99Å; F442-M446 HydrophobicContact CZ-CE 3.83Å; F442-M446 HydrophobicContact CZ-CG 4.12Å; F442-M446 HydrophobicContact CZ-SD 3.41Å; F442-M446 WeakPolarHBondContact CZ-SD 3.38Å; F442-M446 WeakPolarHBondContact O-CB 3.18Å; F442-M446 WeakPolarHBondContact O-CG 3.49Å; F442-M446 PolarHBondContact O-N 2.87Å; L443-M446 HydrophobicContact CD2-CE 4.1Å; L443-M446 PolarHBondContact O-N 3.36Å; M446-N448 PolarHBondContact O-N 2.9Å |
| 447 | Q | 66.3 | Low | 68.8 | Low | 117 Ų | 117 | 85.1 Ų | 85.1 | 55% | 0.547 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -13.4 | 171.2 | -76.4 | 178 | 29.5 | 0 | 0 | 113.2 | L443 Q445 | L443-Q447 WeakPolarHBondContact O-CB 3.19Å; L443-Q447 VanDerWaalsContact O-CG 3.28Å; L443-Q447 WeakPolarHBondContact O-CG 3.46Å; L443-Q447 PolarHBondContact O-N 2.81Å; Q445-Q447 VanDerWaalsContact C-N 3.26Å; Q445-Q447 PolarHBondContact O-N 3.2Å |
| 448 | N | 63.1 | Low | 68.9 | Low | 78 Ų | 78 | 83.4 Ų | 83.4 | 42% | 0.417 | 45% | 0.446 | S | S | . | . | trans | -72 | 127.3 | 177.5 | -78.8 | -85.5 | 0 | 0 | 0 | 110.7 | Q444 Q445 M446 E450 S451 L452 | Q444-N448 PolarHBondContact O-ND2 2.84Å; Q445-N448 VanDerWaalsContact O-CB 3.32Å; Q445-N448 WeakPolarHBondContact O-CB 3.36Å; Q445-N448 PolarHBondContact O-N 3.18Å; Q445-N448 PolarHBondContact O-ND2 3.41Å; M446-N448 PolarHBondContact O-N 2.9Å; N448-E450 PolarHBondContact O-N 2.89Å; N448-S451 PolarHBondContact O-N 3.13Å; N448-S451 PolarHBondContact O-OG 3.28Å; N448-L452 PolarHBondContact O-N 3.35Å | ||
| 449 | P | 67.9 | Low | 69.7 | Low | 94 Ų | 94 | 87.1 Ų | 87.1 | 61% | 0.61 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.2 | -29.3 | 175.3 | 26.9 | -34.7 | 0 | 0 | 0 | 111.7 | S453 | P449-S453 VanDerWaalsContact O-CB 3.24Å; P449-S453 WeakPolarHBondContact O-CB 3.43Å; P449-S453 PolarHBondContact O-N 2.87Å; P449-S453 PolarHBondContact O-OG 3.22Å |
| 450 | E | 74.1 | Confident | 70.2 | Confident | 142 Ų | 142 | 87.1 Ų | 87.1 | 66% | 0.664 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.8 | -45.3 | 171.7 | -71 | -95.5 | 94.2 | 0 | 0 | 111.9 | N448 S453 I454 | N448-E450 PolarHBondContact O-N 2.89Å; E450-S453 WeakPolarHBondContact O-CB 3.43Å; E450-S453 PolarHBondContact O-N 2.85Å; E450-I454 VanDerWaalsContact O-CG1 3.27Å; E450-I454 WeakPolarHBondContact O-CG1 3.1Å; E450-I454 PolarHBondContact O-N 3.18Å |
| 451 | S | 69.9 | Low | 70.3 | Confident | 26 Ų | 26 | 89.2 Ų | 89.2 | 18% | 0.182 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -68.4 | -41.7 | -178.3 | 76.7 | 0 | 0 | 0 | 0 | 112.2 | Q445 N448 S453 I454 L455 | Q445-S451 WeakPolarHBondContact O-CB 3.45Å; Q445-S451 PolarHBondContact O-OG 2.85Å; N448-S451 PolarHBondContact O-N 3.13Å; N448-S451 PolarHBondContact O-OG 3.28Å; S451-S453 VanDerWaalsContact C-N 3.33Å; S451-I454 PolarHBondContact O-N 3.14Å; S451-L455 PolarHBondContact O-N 2.88Å |
| 452 | L | 67.1 | Low | 70.7 | Confident | 61 Ų | 61 | 90.8 Ų | 90.8 | 32% | 0.319 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 171.3 | -71.4 | 169 | 0 | 0 | 0 | 110.5 | M405 N448 I454 L455 T456 | M405-L452 HydrophobicContact CE-CD2 3.91Å; N448-L452 PolarHBondContact O-N 3.35Å; L452-I454 VanDerWaalsContact C-N 3.35Å; L452-I454 PolarHBondContact O-N 3.48Å; L452-L455 CarbonylContact O-C 3.58Å; L452-L455 WeakPolarHBondContact O-CB 3.49Å; L452-L455 PolarHBondContact O-N 2.93Å; L452-L455 VanDerWaalsContact O-N 3.12Å; L452-T456 WeakPolarHBondContact O-CG2 3.48Å; L452-T456 PolarHBondContact O-N 2.82Å; L452-T456 PolarHBondContact O-OG1 3.04Å; L452-T456 VanDerWaalsContact O-OG1 3.08Å |
| 453 | S | 70.7 | Confident | 71.3 | Confident | 61 Ų | 61 | 87.3 Ų | 87.3 | 43% | 0.427 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.4 | -40.4 | 176.8 | -61.4 | 0 | 0 | 0 | 0 | 112.2 | P449 E450 S451 L455 T456 N457 | P449-S453 VanDerWaalsContact O-CB 3.24Å; P449-S453 WeakPolarHBondContact O-CB 3.43Å; P449-S453 PolarHBondContact O-N 2.87Å; P449-S453 PolarHBondContact O-OG 3.22Å; E450-S453 WeakPolarHBondContact O-CB 3.43Å; E450-S453 PolarHBondContact O-N 2.85Å; S451-S453 VanDerWaalsContact C-N 3.33Å; S453-L455 VanDerWaalsContact C-N 3.33Å; S453-T456 PolarHBondContact O-N 3.13Å; S453-T456 PolarHBondContact O-OG1 3Å; S453-N457 WeakPolarHBondContact O-CB 3.47Å; S453-N457 PolarHBondContact O-N 3.43Å |
| 454 | I | 71.6 | Confident | 71.8 | Confident | 68 Ų | 68 | 90.5 Ų | 90.5 | 35% | 0.349 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.1 | -37.6 | 174.2 | -69.4 | 161.4 | 0 | 0 | 0 | 111.2 | E450 S451 L452 L464 | E450-I454 VanDerWaalsContact O-CG1 3.27Å; E450-I454 WeakPolarHBondContact O-CG1 3.1Å; E450-I454 PolarHBondContact O-N 3.18Å; S451-I454 PolarHBondContact O-N 3.14Å; L452-I454 VanDerWaalsContact C-N 3.35Å; L452-I454 PolarHBondContact O-N 3.48Å; I454-L464 HydrophobicContact CG2-CD1 4.42Å; I454-L464 HydrophobicContact CG2-CD2 4.12Å |
| 455 | L | 67.1 | Low | 72.1 | Confident | 116 Ų | 116 | 89.4 Ų | 89.4 | 61% | 0.607 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -72.3 | -35.1 | 176.9 | -115.5 | 161.9 | 0 | 0 | 0 | 113.4 | S451 L452 S453 | S451-L455 PolarHBondContact O-N 2.88Å; L452-L455 CarbonylContact O-C 3.58Å; L452-L455 WeakPolarHBondContact O-CB 3.49Å; L452-L455 PolarHBondContact O-N 2.93Å; L452-L455 VanDerWaalsContact O-N 3.12Å; S453-L455 VanDerWaalsContact C-N 3.33Å |
| 456 | T | 72.5 | Confident | 73.1 | Confident | 71 Ų | 71 | 90.4 Ų | 90.4 | 44% | 0.436 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -88.5 | -13.5 | 179.7 | 56.6 | 0 | 0 | 0 | 0 | 114.4 | L452 S453 P458 | L452-T456 WeakPolarHBondContact O-CG2 3.48Å; L452-T456 PolarHBondContact O-N 2.82Å; L452-T456 PolarHBondContact O-OG1 3.04Å; L452-T456 VanDerWaalsContact O-OG1 3.08Å; S453-T456 PolarHBondContact O-N 3.13Å; S453-T456 PolarHBondContact O-OG1 3Å; T456-P458 WeakPolarHBondContact O-CD 3.36Å |
| 457 | N | 75.4 | Confident | 74 | Confident | 75 Ų | 75 | 93 Ų | 93 | 40% | 0.401 | 49% | 0.487 | S | S | . | . | trans | -100.5 | 106.8 | -176.8 | 179.3 | -11.8 | 0 | 0 | 0 | 110.1 | S453 R459 A460 M461 | S453-N457 WeakPolarHBondContact O-CB 3.47Å; S453-N457 PolarHBondContact O-N 3.43Å; N457-R459 PolarHBondContact O-N 2.93Å; N457-R459 WeakPolarHBondContact OD1-CA 3.27Å; N457-R459 WeakPolarHBondContact OD1-CB 3.49Å; N457-R459 PolarHBondContact OD1-N 3.23Å; N457-A460 HydrophobicContact CB-CB 3.63Å; N457-A460 WeakPolarHBondContact O-CA 3.31Å; N457-A460 WeakPolarHBondContact O-CB 3.48Å; N457-A460 PolarHBondContact O-N 3.47Å; N457-A460 PolarHBondContact OD1-N 3.09Å; N457-A460 VanDerWaalsContact OD1-N 3.07Å; N457-M461 PolarHBondContact O-N 2.9Å | ||
| 458 | P | 76.1 | Confident | 74 | Confident | 95 Ų | 95 | 93.3 Ų | 93.3 | 62% | 0.617 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.4 | -27.5 | -177.9 | 25.4 | -34.4 | 0 | 0 | 0 | 112.5 | T456 Q462 | T456-P458 WeakPolarHBondContact O-CD 3.36Å; P458-Q462 VanDerWaalsContact O-CG 3.31Å; P458-Q462 WeakPolarHBondContact O-CG 3.42Å; P458-Q462 PolarHBondContact O-N 2.67Å |
| 459 | R | 86.4 | Confident | 74.8 | Confident | 194 Ų | 194 | 96 Ų | 96 | 73% | 0.732 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -75.1 | -31.2 | 173 | -168.5 | -179.9 | -68.1 | 177.7 | -0.5 | 111.7 | N457 A463 | N457-R459 PolarHBondContact O-N 2.93Å; N457-R459 WeakPolarHBondContact OD1-CA 3.27Å; N457-R459 WeakPolarHBondContact OD1-CB 3.49Å; N457-R459 PolarHBondContact OD1-N 3.23Å; R459-A463 VanDerWaalsContact O-CB 3.26Å; R459-A463 WeakPolarHBondContact O-CB 3.4Å; R459-A463 PolarHBondContact O-N 3.29Å |
| 460 | A | 77.6 | Confident | 75.2 | Confident | 20 Ų | 20 | 93 Ų | 93 | 17% | 0.165 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -69.3 | -38.4 | 171 | 0 | 0 | 0 | 0 | 0 | 111.4 | N457 A463 L464 | N457-A460 HydrophobicContact CB-CB 3.63Å; N457-A460 WeakPolarHBondContact O-CA 3.31Å; N457-A460 WeakPolarHBondContact O-CB 3.48Å; N457-A460 PolarHBondContact O-N 3.47Å; N457-A460 PolarHBondContact OD1-N 3.09Å; N457-A460 VanDerWaalsContact OD1-N 3.07Å; A460-A463 CarbonylContact O-C 3.6Å; A460-A463 PolarHBondContact O-N 3.07Å; A460-L464 VanDerWaalsContact O-CB 3.32Å; A460-L464 WeakPolarHBondContact O-CB 3.25Å; A460-L464 PolarHBondContact O-N 3.1Å |
| 461 | M | 70.4 | Confident | 75.1 | Confident | 128 Ų | 128 | 89.7 Ų | 89.7 | 63% | 0.631 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -68.7 | -37.8 | 175.2 | -157.4 | -177.6 | -169.3 | 0 | 0 | 112.3 | N457 L464 L465 | N457-M461 PolarHBondContact O-N 2.9Å; M461-L464 PolarHBondContact O-N 3.48Å; M461-L465 PolarHBondContact O-N 3.19Å |
| 462 | Q | 84 | Confident | 74.9 | Confident | 132 Ų | 132 | 94.2 Ų | 94.2 | 62% | 0.617 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.2 | -45.1 | 168.8 | -74.8 | 172.1 | -0.7 | 0 | 0 | 112 | P458 L464 L465 Q466 | P458-Q462 VanDerWaalsContact O-CG 3.31Å; P458-Q462 WeakPolarHBondContact O-CG 3.42Å; P458-Q462 PolarHBondContact O-N 2.67Å; Q462-L464 VanDerWaalsContact C-N 3.32Å; Q462-L464 PolarHBondContact O-N 2.69Å; Q462-L465 PolarHBondContact O-N 3.3Å; Q462-Q466 WeakPolarHBondContact O-CB 3.43Å; Q462-Q466 PolarHBondContact O-N 2.62Å |
| 463 | A | 80.2 | Confident | 75.3 | Confident | 36 Ų | 36 | 94.2 Ų | 94.2 | 30% | 0.298 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.9 | -36.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R459 A460 Q466 I467 | R459-A463 VanDerWaalsContact O-CB 3.26Å; R459-A463 WeakPolarHBondContact O-CB 3.4Å; R459-A463 PolarHBondContact O-N 3.29Å; A460-A463 CarbonylContact O-C 3.6Å; A460-A463 PolarHBondContact O-N 3.07Å; A463-Q466 CarbonylContact O-C 3.56Å; A463-Q466 PolarHBondContact O-N 3.43Å; A463-I467 VanDerWaalsContact O-CB 3.24Å; A463-I467 WeakPolarHBondContact O-CB 3.49Å; A463-I467 WeakPolarHBondContact O-CD1 3.38Å; A463-I467 WeakPolarHBondContact O-CG1 3.46Å; A463-I467 PolarHBondContact O-N 3.26Å |
| 464 | L | 76.4 | Confident | 75.2 | Confident | 84 Ų | 84 | 94.9 Ų | 94.9 | 44% | 0.44 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.1 | -34.6 | 177.2 | -152 | 78.7 | 0 | 0 | 0 | 111.6 | I454 A460 M461 Q462 Q468 | I454-L464 HydrophobicContact CG2-CD1 4.42Å; I454-L464 HydrophobicContact CG2-CD2 4.12Å; A460-L464 VanDerWaalsContact O-CB 3.32Å; A460-L464 WeakPolarHBondContact O-CB 3.25Å; A460-L464 PolarHBondContact O-N 3.1Å; M461-L464 PolarHBondContact O-N 3.48Å; Q462-L464 VanDerWaalsContact C-N 3.32Å; Q462-L464 PolarHBondContact O-N 2.69Å; L464-Q468 VanDerWaalsContact O-CB 3.27Å; L464-Q468 WeakPolarHBondContact O-CB 3.34Å; L464-Q468 PolarHBondContact O-N 3.18Å |
| 465 | L | 74.6 | Confident | 74.7 | Confident | 118 Ų | 118 | 97.2 Ų | 97.2 | 62% | 0.618 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.3 | -44.5 | 170.8 | -172.9 | 67.9 | 0 | 0 | 0 | 111 | M461 Q462 I467 Q468 Q469 | M461-L465 PolarHBondContact O-N 3.19Å; Q462-L465 PolarHBondContact O-N 3.3Å; L465-I467 VanDerWaalsContact C-N 3.34Å; L465-I467 PolarHBondContact O-N 3.06Å; L465-Q468 PolarHBondContact O-N 2.95Å; L465-Q469 WeakPolarHBondContact O-CB 3.39Å; L465-Q469 PolarHBondContact O-N 2.85Å |
| 466 | Q | 83.7 | Confident | 74.7 | Confident | 144 Ų | 144 | 97.1 Ų | 97.1 | 67% | 0.673 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.9 | -35.6 | 175.3 | -169.7 | 178.1 | 13 | 0 | 0 | 112.4 | Q462 A463 G470 | Q462-Q466 WeakPolarHBondContact O-CB 3.43Å; Q462-Q466 PolarHBondContact O-N 2.62Å; A463-Q466 CarbonylContact O-C 3.56Å; A463-Q466 PolarHBondContact O-N 3.43Å; Q466-G470 PolarHBondContact O-N 3.11Å |
| 467 | I | 79.7 | Confident | 74.3 | Confident | 94 Ų | 94 | 101.1 Ų | 101.1 | 48% | 0.482 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -76 | -35.8 | 175.7 | -72.2 | 162.8 | 0 | 0 | 0 | 110.9 | A463 L465 G470 L471 | A463-I467 VanDerWaalsContact O-CB 3.24Å; A463-I467 WeakPolarHBondContact O-CB 3.49Å; A463-I467 WeakPolarHBondContact O-CD1 3.38Å; A463-I467 WeakPolarHBondContact O-CG1 3.46Å; A463-I467 PolarHBondContact O-N 3.26Å; L465-I467 VanDerWaalsContact C-N 3.34Å; L465-I467 PolarHBondContact O-N 3.06Å; I467-G470 CarbonylContact O-C 3.59Å; I467-G470 PolarHBondContact O-N 3.33Å; I467-L471 HydrophobicContact CG2-CD1 3.9Å; I467-L471 HydrophobicContact CG2-CG 4.33Å; I467-L471 VanDerWaalsContact O-CB 3.22Å; I467-L471 WeakPolarHBondContact O-CB 3.22Å; I467-L471 WeakPolarHBondContact O-CG 3.29Å; I467-L471 PolarHBondContact O-N 2.97Å |
| 468 | Q | 65.6 | Low | 73.3 | Confident | 122 Ų | 122 | 98.9 Ų | 98.9 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.5 | -44.9 | 173.8 | -167.1 | -172.8 | 121.2 | 0 | 0 | 110.3 | L464 L465 L471 Q472 | L464-Q468 VanDerWaalsContact O-CB 3.27Å; L464-Q468 WeakPolarHBondContact O-CB 3.34Å; L464-Q468 PolarHBondContact O-N 3.18Å; L465-Q468 PolarHBondContact O-N 2.95Å; Q468-L471 PolarHBondContact O-N 3.18Å; Q468-Q472 VanDerWaalsContact O-CB 3.31Å; Q468-Q472 WeakPolarHBondContact O-CB 3.18Å; Q468-Q472 PolarHBondContact O-N 2.87Å |
| 469 | Q | 79.6 | Confident | 72.4 | Confident | 135 Ų | 135 | 98.3 Ų | 98.3 | 63% | 0.631 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.3 | -46.4 | 172.6 | -170.1 | 168.7 | 89 | 0 | 0 | 110.8 | L465 L471 Q472 T473 | L465-Q469 WeakPolarHBondContact O-CB 3.39Å; L465-Q469 PolarHBondContact O-N 2.85Å; Q469-L471 PolarHBondContact O-N 3.45Å; Q469-Q472 PolarHBondContact O-N 3.19Å; Q469-T473 PolarHBondContact O-N 2.9Å; Q469-T473 PolarHBondContact O-OG1 3.29Å; Q469-T473 VanDerWaalsContact O-OG1 3.13Å |
| 470 | G | 77.4 | Confident | 71.4 | Confident | 30 Ų | 30 | 91.9 Ų | 91.9 | 31% | 0.309 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.4 | -32.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q466 I467 L474 | Q466-G470 PolarHBondContact O-N 3.11Å; I467-G470 CarbonylContact O-C 3.59Å; I467-G470 PolarHBondContact O-N 3.33Å; G470-L474 WeakPolarHBondContact O-CB 3.42Å; G470-L474 WeakPolarHBondContact O-CD1 3.21Å; G470-L474 PolarHBondContact O-N 3.41Å |
| 471 | L | 71.8 | Confident | 70.5 | Confident | 74 Ų | 74 | 96.3 Ų | 96.3 | 39% | 0.387 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -75.1 | -33.5 | 172.4 | -82.3 | 169.5 | 0 | 0 | 0 | 111.9 | I467 Q468 Q469 L474 Q475 V482 | I467-L471 HydrophobicContact CG2-CD1 3.9Å; I467-L471 HydrophobicContact CG2-CG 4.33Å; I467-L471 VanDerWaalsContact O-CB 3.22Å; I467-L471 WeakPolarHBondContact O-CB 3.22Å; I467-L471 WeakPolarHBondContact O-CG 3.29Å; I467-L471 PolarHBondContact O-N 2.97Å; Q468-L471 PolarHBondContact O-N 3.18Å; Q469-L471 PolarHBondContact O-N 3.45Å; L471-L474 PolarHBondContact O-N 3.3Å; L471-Q475 WeakPolarHBondContact O-CB 3.47Å; L471-Q475 VanDerWaalsContact O-CG 3.23Å; L471-Q475 WeakPolarHBondContact O-CG 3.44Å; L471-Q475 PolarHBondContact O-N 3.08Å; L471-V482 HydrophobicContact CD2-CG1 4.28Å |
| 472 | Q | 66.1 | Low | 70 | Confident | 120 Ų | 120 | 92.7 Ų | 92.7 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.9 | -38.5 | 174 | -159.1 | 163.8 | 101 | 0 | 0 | 110.4 | Q468 Q469 Q475 T476 | Q468-Q472 VanDerWaalsContact O-CB 3.31Å; Q468-Q472 WeakPolarHBondContact O-CB 3.18Å; Q468-Q472 PolarHBondContact O-N 2.87Å; Q469-Q472 PolarHBondContact O-N 3.19Å; Q472-Q475 PolarHBondContact O-N 3.32Å; Q472-T476 WeakPolarHBondContact O-CB 3.47Å; Q472-T476 PolarHBondContact O-N 2.82Å; Q472-T476 PolarHBondContact O-OG1 3.21Å |
| 473 | T | 75.5 | Confident | 68.7 | Low | 61 Ų | 61 | 91.4 Ų | 91.4 | 37% | 0.374 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.3 | -49.8 | 165.2 | -61.4 | 0 | 0 | 0 | 0 | 111.2 | Q469 Q475 T476 E477 | Q469-T473 PolarHBondContact O-N 2.9Å; Q469-T473 PolarHBondContact O-OG1 3.29Å; Q469-T473 VanDerWaalsContact O-OG1 3.13Å; T473-Q475 VanDerWaalsContact C-N 3.3Å; T473-Q475 PolarHBondContact O-N 2.63Å; T473-T476 CarbonylContact O-C 2.98Å; T473-T476 WeakPolarHBondContact O-CA 3.33Å; T473-T476 PolarHBondContact O-N 3.38Å; T473-E477 HydrophobicContact CG2-CG 4.1Å; T473-E477 WeakPolarHBondContact CG2-OE2 3.37Å; T473-E477 WeakPolarHBondContact O-CB 3.28Å; T473-E477 PolarHBondContact O-N 2.88Å |
| 474 | L | 67.5 | Low | 67.6 | Low | 76 Ų | 76 | 92.9 Ų | 92.9 | 40% | 0.398 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.2 | -34.5 | 177 | -111.6 | 75.4 | 0 | 0 | 0 | 113.4 | G470 L471 T476 A478 | G470-L474 WeakPolarHBondContact O-CB 3.42Å; G470-L474 WeakPolarHBondContact O-CD1 3.21Å; G470-L474 PolarHBondContact O-N 3.41Å; L471-L474 PolarHBondContact O-N 3.3Å; L474-T476 VanDerWaalsContact C-N 3.31Å; L474-A478 CarbonylContact O-C 3.58Å; L474-A478 WeakPolarHBondContact O-CA 3.07Å; L474-A478 PolarHBondContact O-N 2.85Å |
| 475 | Q | 61.2 | Low | 66.7 | Low | 117 Ų | 117 | 95 Ų | 95 | 55% | 0.547 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -73.2 | -24.6 | 174.6 | -74.6 | 171.7 | 13.3 | 0 | 0 | 112.4 | L471 Q472 T473 P479 V482 | L471-Q475 WeakPolarHBondContact O-CB 3.47Å; L471-Q475 VanDerWaalsContact O-CG 3.23Å; L471-Q475 WeakPolarHBondContact O-CG 3.44Å; L471-Q475 PolarHBondContact O-N 3.08Å; Q472-Q475 PolarHBondContact O-N 3.32Å; T473-Q475 VanDerWaalsContact C-N 3.3Å; T473-Q475 PolarHBondContact O-N 2.63Å; Q475-P479 WeakPolarHBondContact O-CB 3.25Å; Q475-V482 HydrophobicContact CG-CG2 4.3Å |
| 476 | T | 66.9 | Low | 65.7 | Low | 113 Ų | 113 | 93.3 Ų | 93.3 | 69% | 0.693 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -86.8 | -42.5 | 177.8 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | Q472 T473 L474 | Q472-T476 WeakPolarHBondContact O-CB 3.47Å; Q472-T476 PolarHBondContact O-N 2.82Å; Q472-T476 PolarHBondContact O-OG1 3.21Å; T473-T476 CarbonylContact O-C 2.98Å; T473-T476 WeakPolarHBondContact O-CA 3.33Å; T473-T476 PolarHBondContact O-N 3.38Å; L474-T476 VanDerWaalsContact C-N 3.31Å |
| 477 | E | 63.6 | Low | 64.2 | Low | 155 Ų | 155 | 90.6 Ų | 90.6 | 72% | 0.724 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -91.6 | -31.4 | -177.2 | -62.8 | -166.9 | 121 | 0 | 0 | 113.4 | T473 | T473-E477 HydrophobicContact CG2-CG 4.1Å; T473-E477 WeakPolarHBondContact CG2-OE2 3.37Å; T473-E477 WeakPolarHBondContact O-CB 3.28Å; T473-E477 PolarHBondContact O-N 2.88Å |
| 478 | A | 54.4 | Low | 62.4 | Low | 28 Ų | 28 | 94.3 Ų | 94.3 | 23% | 0.231 | 55% | 0.548 | C | S | . | . | trans | -139.8 | 51.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L474 G480 L481 | L474-A478 CarbonylContact O-C 3.58Å; L474-A478 WeakPolarHBondContact O-CA 3.07Å; L474-A478 PolarHBondContact O-N 2.85Å; A478-G480 PolarHBondContact O-N 2.79Å; A478-L481 HydrophobicContact CB-CD1 3.81Å; A478-L481 HydrophobicContact CB-CG 4.08Å; A478-L481 PolarHBondContact O-N 3.36Å | ||
| 479 | P | 57.9 | Low | 61.1 | Low | 84 Ų | 84 | 91.8 Ų | 91.8 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.9 | -15.5 | -176.9 | 20.7 | -32.6 | 0 | 0 | 0 | 115.4 | Q475 | Q475-P479 WeakPolarHBondContact O-CB 3.25Š|
| 480 | G | 64.4 | Low | 59.5 | Low | 59 Ų | 59 | 90.3 Ų | 90.3 | 61% | 0.608 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -14.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | A478 | A478-G480 PolarHBondContact O-N 2.79Š|
| 481 | L | 59.2 | Low | 58.1 | Low | 112 Ų | 112 | 95 Ų | 95 | 59% | 0.586 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -35.5 | -173.1 | -62.3 | -176.9 | 0 | 0 | 0 | 113.7 | A478 S484 L485 | A478-L481 HydrophobicContact CB-CD1 3.81Å; A478-L481 HydrophobicContact CB-CG 4.08Å; A478-L481 PolarHBondContact O-N 3.36Å; L481-S484 WeakPolarHBondContact O-CB 3.27Å; L481-S484 PolarHBondContact O-N 3.13Å; L481-S484 VanDerWaalsContact O-N 3.15Å; L481-L485 PolarHBondContact O-N 2.77Å |
| 482 | V | 59.5 | Low | 56.5 | Low | 52 Ų | 52 | 102.5 Ų | 102.5 | 32% | 0.315 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -60.3 | -40.2 | -175.7 | -93.1 | 0 | 0 | 0 | 0 | 115.8 | L471 Q475 S484 | L471-V482 HydrophobicContact CD2-CG1 4.28Å; Q475-V482 HydrophobicContact CG-CG2 4.3Å; V482-S484 VanDerWaalsContact C-N 3.26Å; V482-S484 PolarHBondContact O-N 2.74Å |
| 483 | P | 58.3 | Low | 55.3 | Low | 106 Ų | 106 | 102.9 Ų | 102.9 | 69% | 0.688 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -74.5 | -15 | 176.4 | 31.3 | -37.1 | 0 | 0 | 0 | 113.6 | ||
| 484 | S | 57 | Low | 53.6 | Low | 67 Ų | 67 | 105 Ų | 105 | 47% | 0.469 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -82.6 | -43.7 | 178.2 | -168.4 | 0 | 0 | 0 | 0 | 111.4 | L481 V482 G486 S487 | L481-S484 WeakPolarHBondContact O-CB 3.27Å; L481-S484 PolarHBondContact O-N 3.13Å; L481-S484 VanDerWaalsContact O-N 3.15Å; V482-S484 VanDerWaalsContact C-N 3.26Å; V482-S484 PolarHBondContact O-N 2.74Å; S484-G486 VanDerWaalsContact C-N 3.35Å; S484-G486 PolarHBondContact O-N 2.78Å; S484-S487 PolarHBondContact O-N 3.3Å |
| 485 | L | 56.5 | Low | 52.2 | Low | 129 Ų | 129 | 107.8 Ų | 107.8 | 68% | 0.675 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -70.9 | -27.7 | -172.2 | -161.1 | 64.5 | 0 | 0 | 0 | 113.4 | L481 S487 F488 | L481-L485 PolarHBondContact O-N 2.77Å; L485-S487 PolarHBondContact O-N 3.25Å; L485-F488 HydrophobicContact CD1-CB 4.25Å; L485-F488 PolarHBondContact O-N 2.93Å; L485-F488 VanDerWaalsContact O-N 3.09Å |
| 486 | G | 54 | Low | 51.2 | Low | 81 Ų | 81 | 107.8 Ų | 107.8 | 84% | 0.835 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -4.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | S484 | S484-G486 VanDerWaalsContact C-N 3.35Å; S484-G486 PolarHBondContact O-N 2.78Å |
| 487 | S | 52.4 | Low | 49.7 | Very low | 88 Ų | 88 | 110.7 Ų | 110.7 | 62% | 0.615 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | -2.5 | 175 | -157.6 | 0 | 0 | 0 | 0 | 113.2 | S484 L485 G489 | S484-S487 PolarHBondContact O-N 3.3Å; L485-S487 PolarHBondContact O-N 3.25Å; S487-G489 VanDerWaalsContact C-N 3.27Å; S487-G489 PolarHBondContact O-N 2.76Å |
| 488 | F | 41.7 | Very low | 48.3 | Very low | 171 Ų | 171 | 107.9 Ų | 107.9 | 75% | 0.75 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | 67.1 | -177.9 | -100.2 | -101.6 | 0 | 0 | 0 | 112.7 | L485 | L485-F488 HydrophobicContact CD1-CB 4.25Å; L485-F488 PolarHBondContact O-N 2.93Å; L485-F488 VanDerWaalsContact O-N 3.09Å |
| 489 | G | 39 | Very low | 47.4 | Very low | 70 Ų | 70 | 109.8 Ų | 109.8 | 72% | 0.722 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.9 | -10.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S487 | S487-G489 VanDerWaalsContact C-N 3.27Å; S487-G489 PolarHBondContact O-N 2.76Å |
| 490 | T | 46.2 | Very low | 46.2 | Very low | 104 Ų | 104 | 111.9 Ų | 111.9 | 64% | 0.638 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -99.2 | 120.5 | 176.4 | 52.1 | 0 | 0 | 0 | 0 | 111 | R492 | T490-R492 PolarHBondContact O-N 2.84Š|
| 491 | P | 47.5 | Very low | 44.7 | Very low | 129 Ų | 129 | 115.9 Ų | 115.9 | 84% | 0.838 | 72% | 0.722 | S | S | * | * | trans | -71.8 | 110 | 168.7 | 28.3 | -31.6 | 0 | 0 | 0 | 109.6 | ||||
| 492 | R | 38.5 | Very low | 43.5 | Very low | 231 Ų | 231 | 115.8 Ų | 115.8 | 87% | 0.872 | 73% | 0.731 | S | S | * | * | trans | -82.8 | 126.4 | 175.9 | -73 | 172.7 | 155.9 | -170.9 | -5.4 | 111.4 | T490 | T490-R492 PolarHBondContact O-N 2.84Š| ||
| 493 | T | 40.5 | Very low | 42.4 | Very low | 127 Ų | 127 | 116.4 Ų | 116.4 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | trans | -147.8 | 134.4 | 160.2 | -27.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 494 | S | 40 | Very low | 41.5 | Very low | 107 Ų | 107 | 116.9 Ų | 116.9 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | 54.9 | 109.1 | 155.3 | 50.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 495 | V | 37.7 | Very low | 40.5 | Very low | 134 Ų | 134 | 119.4 Ų | 119.4 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | trans | -57.6 | -179.5 | 145.7 | -59.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 496 | P | 40.2 | Very low | 39.6 | Very low | 117 Ų | 117 | 117 Ų | 117 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | cis | -140.1 | -177.1 | 6.2 | 43.1 | -23.6 | 0 | 0 | 0 | 117.9 | ||||
| 497 | L | 35.7 | Very low | 38.8 | Very low | 173 Ų | 173 | 121.9 Ų | 121.9 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | trans | -47.1 | 129 | 162.1 | 170.8 | 76.3 | 0 | 0 | 0 | 115.8 | ||||
| 498 | A | 34.5 | Very low | 38.3 | Very low | 96 Ų | 96 | 121.9 Ų | 121.9 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | trans | -179.7 | 149 | 144.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 499 | G | 34.9 | Very low | 38.4 | Very low | 69 Ų | 69 | 118.9 Ų | 118.9 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | 89.4 | 130 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 500 | S | 33.6 | Very low | 38.1 | Very low | 128 Ų | 128 | 121.5 Ų | 121.5 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | cis | 80.7 | 133.2 | 42.2 | -62.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 501 | N | 32.5 | Very low | 37.9 | Very low | 142 Ų | 142 | 122.1 Ų | 122.1 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | cis | -167.1 | 161 | -9.9 | -176.3 | 31.1 | 0 | 0 | 0 | 109.9 | ||||
| 502 | S | 33.2 | Very low | 37.6 | Very low | 111 Ų | 111 | 121.6 Ų | 121.6 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | 63.6 | 149.3 | 169 | -63.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 503 | G | 35.9 | Very low | 37.8 | Very low | 65 Ų | 65 | 116.9 Ų | 116.9 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | cis | 171 | 159.2 | -11.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 504 | S | 39.1 | Very low | 37.7 | Very low | 115 Ų | 115 | 114 Ų | 114 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 70.1 | 114.4 | 157.8 | -52.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 505 | S | 36.3 | Very low | 38.3 | Very low | 120 Ų | 120 | 115.9 Ų | 115.9 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | 88.8 | 148.3 | 81 | -61.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 506 | A | 38.3 | Very low | 38.5 | Very low | 78 Ų | 78 | 115.7 Ų | 115.7 | 65% | 0.645 | 79% | 0.788 | S | S | * | * | cis | -145.6 | 170.8 | 8.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 507 | E | 37.5 | Very low | 38.5 | Very low | 184 Ų | 184 | 114.3 Ų | 114.3 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | 55.4 | 125.7 | 157.7 | -69.8 | 162.3 | 77.4 | 0 | 0 | 119.7 | ||||
| 508 | A | 40.6 | Very low | 38.6 | Very low | 88 Ų | 88 | 112.3 Ų | 112.3 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | cis | 93.7 | 160.5 | 41.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 509 | P | 44.7 | Very low | 39.1 | Very low | 109 Ų | 109 | 113.1 Ų | 113.1 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | -135.8 | -166.5 | -89.2 | 34.8 | -13.9 | 0 | 0 | 0 | 114.8 | |||||
| 510 | T | 33.3 | Very low | 39.6 | Very low | 125 Ų | 125 | 115.8 Ų | 115.8 | 77% | 0.767 | 79% | 0.786 | S | S | * | * | trans | 70.7 | 120.2 | 162.8 | 65.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 511 | S | 41.9 | Very low | 40.1 | Very low | 116 Ų | 116 | 115 Ų | 115 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | 170.6 | 158.1 | 110.8 | -75.9 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 512 | S | 41.2 | Very low | 40.2 | Very low | 119 Ų | 119 | 114.1 Ų | 114.1 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -99.6 | -159.4 | -167.4 | -50 | 0 | 0 | 0 | 0 | 113 | ||||
| 513 | P | 43.3 | Very low | 40.6 | Very low | 131 Ų | 131 | 114.2 Ų | 114.2 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | -113.9 | 164.5 | -115.3 | 35.1 | -17.8 | 0 | 0 | 0 | 115.1 | |||||
| 514 | G | 38.2 | Very low | 40.8 | Very low | 68 Ų | 68 | 114.4 Ų | 114.4 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | -159.7 | 109.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 515 | V | 52.4 | Low | 41.1 | Very low | 145 Ų | 145 | 114.2 Ų | 114.2 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | 29.6 | 143.4 | 153.6 | -63.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 516 | P | 41.1 | Very low | 41.7 | Very low | 130 Ų | 130 | 114.2 Ų | 114.2 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | trans | -93.9 | 153.4 | -174 | 37.6 | -36.3 | 0 | 0 | 0 | 115.5 | ||||
| 517 | A | 40 | Very low | 42.5 | Very low | 88 Ų | 88 | 114.6 Ų | 114.6 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -155.4 | 143.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 518 | T | 38 | Very low | 43 | Very low | 131 Ų | 131 | 113.9 Ų | 113.9 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 52.1 | 102 | 154.5 | 50.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 519 | S | 44.4 | Very low | 43.8 | Very low | 114 Ų | 114 | 115.9 Ų | 115.9 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | 16 | 159.3 | 121.2 | -33.9 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 520 | P | 46.1 | Very low | 44.4 | Very low | 124 Ų | 124 | 117.6 Ų | 117.6 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | cis | -136.7 | -148.7 | 15.6 | 52 | -33.1 | 0 | 0 | 0 | 112.1 | ||||
| 521 | P | 43.7 | Very low | 45.8 | Very low | 111 Ų | 111 | 117.2 Ų | 117.2 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | trans | -128.9 | 173.3 | -137.9 | 31.5 | -5.2 | 0 | 0 | 0 | 118.8 | ||||
| 522 | S | 34.8 | Very low | 46.5 | Very low | 124 Ų | 124 | 117.7 Ų | 117.7 | 87% | 0.867 | 76% | 0.757 | S | S | * | * | trans | 39.2 | 107.1 | 147.8 | -57.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 523 | A | 41.1 | Very low | 47.4 | Very low | 113 Ų | 113 | 118 Ų | 118 | 93% | 0.934 | 75% | 0.746 | S | S | * | * | trans | -150.7 | 140.9 | 149.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 524 | G | 41.4 | Very low | 48.2 | Very low | 69 Ų | 69 | 118.3 Ų | 118.3 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | trans | 153.4 | -19.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 118 | N526 | G524-N526 PolarHBondContact O-N 2.94Š| ||
| 525 | S | 44.4 | Very low | 49.1 | Very low | 111 Ų | 111 | 120.1 Ų | 120.1 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 64.8 | -170.7 | 58.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 526 | N | 48.8 | Very low | 49.4 | Very low | 121 Ų | 121 | 117.9 Ų | 117.9 | 65% | 0.647 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.3 | -28.7 | 178 | -77.4 | -45.9 | 0 | 0 | 0 | 115.4 | G524 Q528 Q529 | G524-N526 PolarHBondContact O-N 2.94Å; N526-Q528 VanDerWaalsContact C-N 3.32Å; N526-Q528 PolarHBondContact O-N 2.95Å; N526-Q529 PolarHBondContact O-N 2.98Å |
| 527 | A | 54.7 | Low | 50.1 | Low | 85 Ų | 85 | 118.1 Ų | 118.1 | 70% | 0.702 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -62.9 | -33.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q530 | A527-Q530 PolarHBondContact O-N 2.85Å |
| 528 | Q | 49.5 | Very low | 50.6 | Low | 170 Ų | 170 | 120 Ų | 120 | 79% | 0.794 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -78 | -21.5 | -171.2 | -158.9 | 161 | -29.2 | 0 | 0 | 113.6 | N526 M532 | N526-Q528 VanDerWaalsContact C-N 3.32Å; N526-Q528 PolarHBondContact O-N 2.95Å; Q528-M532 WeakPolarHBondContact O-CB 3.05Å; Q528-M532 PolarHBondContact O-N 2.84Å |
| 529 | Q | 56.1 | Low | 51.4 | Low | 130 Ų | 130 | 120.3 Ų | 120.3 | 61% | 0.607 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -80.9 | -26.4 | 175.5 | -68 | -175.3 | -1 | 0 | 0 | 113.1 | N526 Q533 | N526-Q529 PolarHBondContact O-N 2.98Å; Q529-Q533 PolarHBondContact O-N 2.88Å; Q529-Q533 PolarHBondContact O-NE2 3.39Å |
| 530 | Q | 58 | Low | 51.6 | Low | 145 Ų | 145 | 118.6 Ų | 118.6 | 68% | 0.678 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -69.5 | -47.7 | 177 | -148.8 | 80.5 | 13.8 | 0 | 0 | 110.9 | A527 M532 Q533 Q534 | A527-Q530 PolarHBondContact O-N 2.85Å; Q530-M532 VanDerWaalsContact C-N 3.33Å; Q530-M532 PolarHBondContact O-N 2.77Å; Q530-Q533 PolarHBondContact O-N 3.43Å; Q530-Q534 PolarHBondContact O-N 2.89Å |
| 531 | L | 62.5 | Low | 51.1 | Low | 117 Ų | 117 | 114.9 Ų | 114.9 | 61% | 0.613 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -61.7 | -41.4 | 176 | -168.1 | 92.2 | 0 | 0 | 0 | 111.4 | Q533 Q534 M535 | L531-Q533 PolarHBondContact O-N 2.7Å; L531-Q534 PolarHBondContact O-N 2.8Å; L531-M535 WeakPolarHBondContact O-CB 3.29Å; L531-M535 PolarHBondContact O-N 2.77Å |
| 532 | M | 56 | Low | 50.8 | Low | 125 Ų | 125 | 116 Ų | 116 | 62% | 0.616 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66.7 | -35.7 | -178.2 | -168.5 | 164.9 | 179.6 | 0 | 0 | 112.4 | Q528 Q530 M535 I536 | Q528-M532 WeakPolarHBondContact O-CB 3.05Å; Q528-M532 PolarHBondContact O-N 2.84Å; Q530-M532 VanDerWaalsContact C-N 3.33Å; Q530-M532 PolarHBondContact O-N 2.77Å; M532-M535 PolarHBondContact O-N 3.37Å; M532-I536 HydrophobicContact CE-CD1 4.48Å; M532-I536 HydrophobicContact CG-CD1 4.12Å; M532-I536 WeakPolarHBondContact O-CB 3.38Å; M532-I536 WeakPolarHBondContact O-CD1 3.45Å; M532-I536 PolarHBondContact O-N 3.24Å |
| 533 | Q | 60.7 | Low | 50.8 | Low | 125 Ų | 125 | 113.8 Ų | 113.8 | 58% | 0.584 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -65.4 | -41.5 | 172 | -82.2 | 166.3 | 92.7 | 0 | 0 | 112.4 | Q529 Q530 L531 M535 I536 Q537 | Q529-Q533 PolarHBondContact O-N 2.88Å; Q529-Q533 PolarHBondContact O-NE2 3.39Å; Q530-Q533 PolarHBondContact O-N 3.43Å; L531-Q533 PolarHBondContact O-N 2.7Å; Q533-M535 VanDerWaalsContact C-N 3.34Å; Q533-M535 PolarHBondContact O-N 2.85Å; Q533-I536 PolarHBondContact O-N 2.9Å; Q533-Q537 PolarHBondContact O-N 3.49Å |
| 534 | Q | 60.1 | Low | 50.5 | Low | 138 Ų | 138 | 116.3 Ų | 116.3 | 65% | 0.645 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -68.3 | -34.7 | 176.7 | -165 | 165.4 | 22.3 | 0 | 0 | 112.1 | Q530 L531 Q537 L538 | Q530-Q534 PolarHBondContact O-N 2.89Å; L531-Q534 PolarHBondContact O-N 2.8Å; Q534-Q537 PolarHBondContact O-N 2.77Å; Q534-L538 HydrophobicContact CG-CD1 4.35Å; Q534-L538 WeakPolarHBondContact O-CD1 3.44Å; Q534-L538 PolarHBondContact O-N 2.84Å; Q534-L538 VanDerWaalsContact O-N 3.12Å |
| 535 | M | 57.3 | Low | 50 | Low | 107 Ų | 107 | 118.3 Ų | 118.3 | 53% | 0.527 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -69.7 | -38.7 | 173 | -171.1 | 167.1 | -77.6 | 0 | 0 | 112.3 | L531 M532 Q533 Q537 L538 L539 | L531-M535 WeakPolarHBondContact O-CB 3.29Å; L531-M535 PolarHBondContact O-N 2.77Å; M532-M535 PolarHBondContact O-N 3.37Å; Q533-M535 VanDerWaalsContact C-N 3.34Å; Q533-M535 PolarHBondContact O-N 2.85Å; M535-Q537 VanDerWaalsContact C-N 3.26Å; M535-Q537 PolarHBondContact O-N 3.02Å; M535-L538 PolarHBondContact O-N 2.96Å; M535-L539 HydrophobicContact CG-CD1 3.95Å; M535-L539 WeakPolarHBondContact O-CB 3.4Å; M535-L539 PolarHBondContact O-N 2.97Å |
| 536 | I | 58.9 | Low | 49.6 | Very low | 97 Ų | 97 | 121.5 Ų | 121.5 | 50% | 0.497 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -58.6 | -40.6 | 169.5 | -99.9 | 62.3 | 0 | 0 | 0 | 110.4 | M532 Q533 L538 L539 S540 | M532-I536 HydrophobicContact CE-CD1 4.48Å; M532-I536 HydrophobicContact CG-CD1 4.12Å; M532-I536 WeakPolarHBondContact O-CB 3.38Å; M532-I536 WeakPolarHBondContact O-CD1 3.45Å; M532-I536 PolarHBondContact O-N 3.24Å; Q533-I536 PolarHBondContact O-N 2.9Å; I536-L538 PolarHBondContact O-N 3.34Å; I536-L539 PolarHBondContact O-N 3.36Å; I536-S540 VanDerWaalsContact O-CB 3.27Å; I536-S540 WeakPolarHBondContact O-CB 3.44Å; I536-S540 PolarHBondContact O-N 3.35Å; I536-S540 PolarHBondContact O-OG 2.94Å |
| 537 | Q | 55.5 | Low | 49.5 | Very low | 135 Ų | 135 | 121 Ų | 121 | 63% | 0.631 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -66.3 | -36.8 | 179.9 | -153.4 | 72.9 | 83.9 | 0 | 0 | 112.5 | Q533 Q534 M535 S540 | Q533-Q537 PolarHBondContact O-N 3.49Å; Q534-Q537 PolarHBondContact O-N 2.77Å; M535-Q537 VanDerWaalsContact C-N 3.26Å; M535-Q537 PolarHBondContact O-N 3.02Å; Q537-S540 PolarHBondContact NE2-OG 2.77Å; Q537-S540 PolarHBondContact O-OG 3.35Å |
| 538 | L | 51.8 | Low | 49.3 | Very low | 128 Ų | 128 | 122.7 Ų | 122.7 | 67% | 0.67 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -81.6 | -31.4 | 176.6 | -86.2 | 78.1 | 0 | 0 | 0 | 113.8 | Q534 M535 I536 S540 G541 | Q534-L538 HydrophobicContact CG-CD1 4.35Å; Q534-L538 WeakPolarHBondContact O-CD1 3.44Å; Q534-L538 PolarHBondContact O-N 2.84Å; Q534-L538 VanDerWaalsContact O-N 3.12Å; M535-L538 PolarHBondContact O-N 2.96Å; I536-L538 PolarHBondContact O-N 3.34Å; L538-S540 VanDerWaalsContact C-N 3.27Å; L538-G541 PolarHBondContact O-N 3.06Å |
| 539 | L | 53.3 | Low | 49 | Very low | 137 Ų | 137 | 120 Ų | 120 | 72% | 0.717 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -78.2 | -10.9 | 172.1 | -89.1 | 62.5 | 0 | 0 | 0 | 112.9 | M535 I536 | M535-L539 HydrophobicContact CG-CD1 3.95Å; M535-L539 WeakPolarHBondContact O-CB 3.4Å; M535-L539 PolarHBondContact O-N 2.97Å; I536-L539 PolarHBondContact O-N 3.36Å |
| 540 | S | 49.6 | Very low | 49 | Very low | 78 Ų | 78 | 116.1 Ų | 116.1 | 55% | 0.545 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.6 | 0.2 | 166.7 | 72 | 0 | 0 | 0 | 0 | 113.9 | I536 Q537 L538 | I536-S540 VanDerWaalsContact O-CB 3.27Å; I536-S540 WeakPolarHBondContact O-CB 3.44Å; I536-S540 PolarHBondContact O-N 3.35Å; I536-S540 PolarHBondContact O-OG 2.94Å; Q537-S540 PolarHBondContact NE2-OG 2.77Å; Q537-S540 PolarHBondContact O-OG 3.35Å; L538-S540 VanDerWaalsContact C-N 3.27Å |
| 541 | G | 34.4 | Very low | 49.2 | Very low | 47 Ų | 47 | 112.1 Ų | 112.1 | 49% | 0.485 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -88.5 | 121.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L538 | L538-G541 PolarHBondContact O-N 3.06Š|
| 542 | S | 37.4 | Very low | 49.2 | Very low | 134 Ų | 134 | 111.2 Ų | 111.2 | 94% | 0.937 | 64% | 0.636 | S | S | * | * | trans | 86 | 82.8 | -179.6 | -39.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 543 | G | 35.2 | Very low | 49.9 | Very low | 77 Ų | 77 | 115.3 Ų | 115.3 | 79% | 0.794 | 65% | 0.645 | S | S | * | * | trans | -157.1 | 102.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 544 | N | 34.4 | Very low | 50.8 | Low | 167 Ų | 167 | 110.9 Ų | 110.9 | 89% | 0.893 | 62% | 0.623 | S | S | * | * | trans | -69.7 | 148.4 | -168.2 | -114.3 | -10.7 | 0 | 0 | 0 | 113.5 | Q546 | N544-Q546 PolarHBondContact O-N 3.36Š| ||
| 545 | S | 31.8 | Very low | 52 | Low | 110 Ų | 110 | 109.7 Ų | 109.7 | 77% | 0.769 | 62% | 0.618 | S | S | * | * | trans | -53.2 | 122.8 | 172.9 | -54.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 546 | Q | 35.6 | Very low | 53.4 | Low | 178 Ų | 178 | 111.9 Ų | 111.9 | 83% | 0.832 | 63% | 0.627 | S | S | * | * | trans | -141.9 | 78.8 | 157.7 | -123.2 | 170.5 | -33.7 | 0 | 0 | 110.9 | N544 | N544-Q546 PolarHBondContact O-N 3.36Š| ||
| 547 | V | 47.2 | Very low | 54.8 | Low | 112 Ų | 112 | 109.5 Ų | 109.5 | 68% | 0.679 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 140.9 | 166 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | M549 | V547-M549 PolarHBondContact O-N 3.44Š|
| 548 | P | 49.4 | Very low | 56.3 | Low | 120 Ų | 120 | 103.5 Ų | 103.5 | 78% | 0.779 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 116 | 172 | -25.6 | 34.7 | 0 | 0 | 0 | 110 | ||
| 549 | M | 44.4 | Very low | 57.9 | Low | 112 Ų | 112 | 103.8 Ų | 103.8 | 55% | 0.552 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 120.5 | -163.9 | -84.9 | 176 | 159.4 | 0 | 0 | 112 | V547 E551 V552 | V547-M549 PolarHBondContact O-N 3.44Å; M549-E551 PolarHBondContact O-N 3.48Å; M549-V552 HydrophobicContact CB-CB 4.46Å; M549-V552 HydrophobicContact CB-CG2 3.88Å; M549-V552 PolarHBondContact O-N 2.84Å |
| 550 | P | 56.5 | Low | 59.6 | Low | 49 Ų | 49 | 101.9 Ų | 101.9 | 32% | 0.318 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.5 | -26.1 | 175.5 | 25.7 | -33.5 | 0 | 0 | 0 | 111.5 | V552 R553 F554 L573 I577 | P550-V552 PolarHBondContact O-N 3.24Å; P550-R553 WeakPolarHBondContact O-CB 3.04Å; P550-R553 PolarHBondContact O-N 2.9Å; P550-R553 VanDerWaalsContact O-N 3.1Å; P550-F554 HydrophobicContact CB-CD2 4.32Å; P550-F554 HydrophobicContact CB-CE2 4.33Å; P550-F554 WeakPolarHBondContact O-CD2 3.39Å; P550-F554 PolarHBondContact O-N 2.99Å; P550-F554 VanDerWaalsContact O-N 3.07Å; P550-L573 HydrophobicContact CB-CD1 4.25Å; P550-I577 HydrophobicContact CB-CD1 3.81Å; P550-I577 HydrophobicContact CB-CG1 3.9Å; P550-I577 HydrophobicContact CG-CD1 3.83Å; P550-I577 HydrophobicContact CG-CG1 4.47Å |
| 551 | E | 60.6 | Low | 61.4 | Low | 61 Ų | 61 | 98.2 Ų | 98.2 | 29% | 0.285 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.3 | -30.5 | 173.9 | -164.4 | 173.5 | 151.5 | 0 | 0 | 113.2 | M549 Q555 L558 R569 L573 | M549-E551 PolarHBondContact O-N 3.48Å; E551-Q555 WeakPolarHBondContact O-CA 3.45Å; E551-Q555 WeakPolarHBondContact O-CB 3.5Å; E551-Q555 PolarHBondContact O-N 3.35Å; E551-L558 HydrophobicContact CG-CD2 3.8Å; E551-R569 WeakPolarHBondContact OE1-CD 3.47Å; E551-R569 IonicContact OE1-CZ 3.83Å; E551-R569 IonicContact OE1-NE 3.62Å; E551-R569 IonicContact OE1-NH1 3.45Å; E551-R569 PolarHBondContact OE1-NH1 2.88Å; E551-L573 HydrophobicContact CB-CD1 4.35Å; E551-L573 HydrophobicContact CB-CD2 4.09Å; E551-L573 HydrophobicContact CG-CD2 4.48Å |
| 552 | V | 63.3 | Low | 63.9 | Low | 99 Ų | 99 | 100 Ų | 100 | 60% | 0.6 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -78.1 | -33.5 | 175.2 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | M549 P550 F554 | M549-V552 HydrophobicContact CB-CB 4.46Å; M549-V552 HydrophobicContact CB-CG2 3.88Å; M549-V552 PolarHBondContact O-N 2.84Å; P550-V552 PolarHBondContact O-N 3.24Å; V552-F554 VanDerWaalsContact C-N 3.31Å; V552-F554 PolarHBondContact O-N 3.46Å |
| 553 | R | 69.8 | Low | 66.4 | Low | 211 Ų | 211 | 98.5 Ų | 98.5 | 80% | 0.796 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.1 | -30.8 | 174.5 | -80.9 | -71.9 | -173.8 | 122.2 | -1.6 | 113.1 | P550 | P550-R553 WeakPolarHBondContact O-CB 3.04Å; P550-R553 PolarHBondContact O-N 2.9Å; P550-R553 VanDerWaalsContact O-N 3.1Å |
| 554 | F | 81.3 | Confident | 68.7 | Low | 32 Ų | 32 | 99 Ų | 99 | 14% | 0.14 | 52% | 0.516 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 14.2 | -171.7 | -60.4 | -53.6 | 0 | 0 | 0 | 114.2 | P550 V552 Q556 Q557 L558 L573 L576 I577 | P550-F554 HydrophobicContact CB-CD2 4.32Å; P550-F554 HydrophobicContact CB-CE2 4.33Å; P550-F554 WeakPolarHBondContact O-CD2 3.39Å; P550-F554 PolarHBondContact O-N 2.99Å; P550-F554 VanDerWaalsContact O-N 3.07Å; V552-F554 VanDerWaalsContact C-N 3.31Å; V552-F554 PolarHBondContact O-N 3.46Å; F554-Q556 VanDerWaalsContact C-N 3.35Å; F554-Q556 PolarHBondContact O-N 3.32Å; F554-Q557 VanDerWaalsContact C-OE1 3.27Å; F554-Q557 VanDerWaalsContact CA-OE1 3.31Å; F554-Q557 PolarHBondContact O-N 2.9Å; F554-Q557 VanDerWaalsContact O-N 3.15Å; F554-Q557 PolarHBondContact O-OE1 3.3Å; F554-L558 WeakPolarHBondContact O-CB 3.49Å; F554-L558 PolarHBondContact O-N 2.86Å; F554-L573 HydrophobicContact CB-CD1 4.46Å; F554-L573 HydrophobicContact CD2-CD1 4.04Å; F554-L576 HydrophobicContact CB-CB 4.35Å; F554-L576 HydrophobicContact CB-CD1 4.21Å; F554-L576 HydrophobicContact CD1-CB 4.32Å; F554-L576 HydrophobicContact CD2-CB 4.24Å; F554-L576 HydrophobicContact CG-CB 4.06Å; F554-I577 HydrophobicContact CD2-CG1 4.19Å; F554-I577 HydrophobicContact CE2-CB 4.47Å; F554-I577 HydrophobicContact CE2-CG1 3.77Å |
| 555 | Q | 85.2 | Confident | 71.1 | Confident | 113 Ų | 113 | 93.7 Ų | 93.7 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.2 | -43.5 | -171.1 | -172.4 | 157.7 | 92.3 | 0 | 0 | 113.3 | E551 L558 E559 | E551-Q555 WeakPolarHBondContact O-CA 3.45Å; E551-Q555 WeakPolarHBondContact O-CB 3.5Å; E551-Q555 PolarHBondContact O-N 3.35Å; Q555-L558 WeakPolarHBondContact O-CB 3.35Å; Q555-L558 PolarHBondContact O-N 3.15Å; Q555-E559 PolarHBondContact O-N 3.34Å |
| 556 | Q | 85.6 | Confident | 73.7 | Confident | 152 Ų | 152 | 90.4 Ų | 90.4 | 71% | 0.71 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67 | -39 | 179.2 | -166.7 | 173.7 | 25.4 | 0 | 0 | 112.1 | F554 E559 Q560 | F554-Q556 VanDerWaalsContact C-N 3.35Å; F554-Q556 PolarHBondContact O-N 3.32Å; Q556-E559 PolarHBondContact O-N 3.3Å; Q556-Q560 PolarHBondContact O-N 3.02Å |
| 557 | Q | 87.8 | Confident | 76.1 | Confident | 47 Ų | 47 | 88.2 Ų | 88.2 | 22% | 0.22 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -70.2 | -35.5 | 176.4 | -63.2 | 75.3 | 11.5 | 0 | 0 | 111.5 | F554 Q560 L561 L576 I583 | F554-Q557 VanDerWaalsContact C-OE1 3.27Å; F554-Q557 VanDerWaalsContact CA-OE1 3.31Å; F554-Q557 PolarHBondContact O-N 2.9Å; F554-Q557 VanDerWaalsContact O-N 3.15Å; F554-Q557 PolarHBondContact O-OE1 3.3Å; Q557-Q560 PolarHBondContact O-N 3.14Å; Q557-L561 WeakPolarHBondContact O-CB 3.42Å; Q557-L561 WeakPolarHBondContact O-CG 3.43Å; Q557-L561 PolarHBondContact O-N 3.34Å; Q557-L576 HydrophobicContact CB-CD1 3.54Å; Q557-L576 HydrophobicContact CB-CD2 3.76Å; Q557-L576 HydrophobicContact CB-CG 4.31Å; Q557-L576 HydrophobicContact CG-CD2 4.22Å; Q557-I583 HydrophobicContact CB-CD1 4.24Å; Q557-I583 HydrophobicContact CB-CG1 4.09Å; Q557-I583 HydrophobicContact CG-CD1 3.92Å; Q557-I583 HydrophobicContact CG-CG1 3.8Å |
| 558 | L | 87.2 | Confident | 78 | Confident | 10 Ų | 10 | 87.9 Ų | 87.9 | 5% | 0.052 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 172.5 | -122.6 | 59.2 | 0 | 0 | 0 | 111.5 | E551 F554 Q555 L561 N562 R569 N572 L573 L576 | E551-L558 HydrophobicContact CG-CD2 3.8Å; F554-L558 WeakPolarHBondContact O-CB 3.49Å; F554-L558 PolarHBondContact O-N 2.86Å; Q555-L558 WeakPolarHBondContact O-CB 3.35Å; Q555-L558 PolarHBondContact O-N 3.15Å; L558-L561 PolarHBondContact O-N 2.84Å; L558-N562 WeakPolarHBondContact O-CB 3.33Å; L558-N562 PolarHBondContact O-N 3.35Å; L558-R569 HydrophobicContact CD2-CG 3.57Å; L558-R569 HydrophobicContact CG-CG 4.1Å; L558-N572 HydrophobicContact CD1-CB 3.9Å; L558-L573 HydrophobicContact CD1-CB 4.09Å; L558-L573 HydrophobicContact CD1-CD1 4.35Å; L558-L576 HydrophobicContact CD1-CD1 3.74Å |
| 559 | E | 86.6 | Confident | 79.7 | Confident | 133 Ų | 133 | 88.7 Ų | 88.7 | 62% | 0.621 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -70.6 | -36.1 | -179.6 | -159.5 | 156 | 95.9 | 0 | 0 | 112 | Q555 Q556 S563 | Q555-E559 PolarHBondContact O-N 3.34Å; Q556-E559 PolarHBondContact O-N 3.3Å; E559-S563 WeakPolarHBondContact O-CB 3.39Å; E559-S563 PolarHBondContact O-N 3.36Å; E559-S563 PolarHBondContact O-OG 2.9Å |
| 560 | Q | 88.3 | Confident | 81.7 | Confident | 98 Ų | 98 | 91.5 Ų | 91.5 | 46% | 0.458 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.3 | -43.7 | 172.1 | -170.9 | 171.4 | -12.3 | 0 | 0 | 112.4 | Q556 Q557 N562 S563 M564 I583 | Q556-Q560 PolarHBondContact O-N 3.02Å; Q557-Q560 PolarHBondContact O-N 3.14Å; Q560-N562 PolarHBondContact O-N 3.01Å; Q560-S563 WeakPolarHBondContact O-CB 3.26Å; Q560-S563 PolarHBondContact O-N 3.49Å; Q560-M564 HydrophobicContact CG-CE 4.09Å; Q560-M564 WeakPolarHBondContact O-CG 3.33Å; Q560-M564 PolarHBondContact O-N 2.7Å; Q560-I583 HydrophobicContact CB-CD1 4.41Å; Q560-I583 HydrophobicContact CG-CD1 4.31Å |
| 561 | L | 87.4 | Confident | 83.2 | Confident | 0 Ų | 0 | 91.2 Ų | 91.2 | 0% | 0 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 174 | -79.1 | 172.7 | 0 | 0 | 0 | 112.1 | Q557 L558 S563 M564 G565 F566 N572 L576 I583 A586 I587 L590 | Q557-L561 WeakPolarHBondContact O-CB 3.42Å; Q557-L561 WeakPolarHBondContact O-CG 3.43Å; Q557-L561 PolarHBondContact O-N 3.34Å; L558-L561 PolarHBondContact O-N 2.84Å; L561-S563 VanDerWaalsContact C-N 3.32Å; L561-S563 PolarHBondContact O-N 3.06Å; L561-M564 HydrophobicContact CD2-CE 3.97Å; L561-M564 CarbonylContact O-C 3.39Å; L561-M564 PolarHBondContact O-N 3.45Å; L561-M564 VanDerWaalsContact O-N 3.11Å; L561-G565 PolarHBondContact O-N 2.72Å; L561-F566 HydrophobicContact CB-CB 4.34Å; L561-F566 HydrophobicContact CD2-CD2 3.96Å; L561-F566 HydrophobicContact CD2-CE2 4.42Å; L561-F566 WeakPolarHBondContact O-CB 3.27Å; L561-F566 PolarHBondContact O-N 2.84Å; L561-N572 HydrophobicContact CB-CB 4.43Å; L561-N572 WeakPolarHBondContact CB-ND2 3.45Å; L561-N572 HydrophobicContact CD1-CB 3.68Å; L561-L576 HydrophobicContact CD1-CD1 3.55Å; L561-L576 HydrophobicContact CD1-CD2 4.44Å; L561-L576 HydrophobicContact CD1-CG 3.91Å; L561-I583 HydrophobicContact CD2-CG2 4.09Å; L561-I583 HydrophobicContact CG-CG2 4.31Å; L561-A586 HydrophobicContact CD1-CB 4.35Å; L561-I587 HydrophobicContact CD2-CG1 3.74Å; L561-L590 HydrophobicContact CD1-CD1 4.13Å; L561-L590 HydrophobicContact CD2-CD1 3.95Å |
| 562 | N | 87.6 | Confident | 84.5 | Confident | 84 Ų | 84 | 88.4 Ų | 88.4 | 45% | 0.449 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 176.1 | -164.6 | 14.7 | 0 | 0 | 0 | 111.2 | L558 Q560 M564 G565 F566 | L558-N562 WeakPolarHBondContact O-CB 3.33Å; L558-N562 PolarHBondContact O-N 3.35Å; Q560-N562 PolarHBondContact O-N 3.01Å; N562-M564 PolarHBondContact O-N 3.08Å; N562-G565 PolarHBondContact O-N 2.94Å; N562-F566 WeakPolarHBondContact CA-O 3.34Å |
| 563 | S | 88.8 | Confident | 85.8 | Confident | 103 Ų | 103 | 85 Ų | 85 | 72% | 0.72 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -65.1 | -23.1 | 174.1 | -59.5 | 0 | 0 | 0 | 0 | 113.6 | E559 Q560 L561 G565 | E559-S563 WeakPolarHBondContact O-CB 3.39Å; E559-S563 PolarHBondContact O-N 3.36Å; E559-S563 PolarHBondContact O-OG 2.9Å; Q560-S563 WeakPolarHBondContact O-CB 3.26Å; Q560-S563 PolarHBondContact O-N 3.49Å; L561-S563 VanDerWaalsContact C-N 3.32Å; L561-S563 PolarHBondContact O-N 3.06Å; S563-G565 VanDerWaalsContact C-N 3.33Å |
| 564 | M | 83.6 | Confident | 86.7 | Confident | 89 Ų | 89 | 80.5 Ų | 80.5 | 44% | 0.438 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 9.7 | 171.3 | -66.2 | -178.5 | -61.8 | 0 | 0 | 113.4 | Q560 L561 N562 F566 I583 I587 | Q560-M564 HydrophobicContact CG-CE 4.09Å; Q560-M564 WeakPolarHBondContact O-CG 3.33Å; Q560-M564 PolarHBondContact O-N 2.7Å; L561-M564 HydrophobicContact CD2-CE 3.97Å; L561-M564 CarbonylContact O-C 3.39Å; L561-M564 PolarHBondContact O-N 3.45Å; L561-M564 VanDerWaalsContact O-N 3.11Å; N562-M564 PolarHBondContact O-N 3.08Å; M564-F566 HydrophobicContact CB-CD2 4.32Å; M564-I583 HydrophobicContact CE-CG2 3.76Å; M564-I587 HydrophobicContact CE-CD1 3.7Å; M564-I587 HydrophobicContact CE-CG1 4.27Å; M564-I587 HydrophobicContact SD-CD1 4.08Å |
| 565 | G | 86 | Confident | 87 | Confident | 55 Ų | 55 | 79.2 Ų | 79.2 | 57% | 0.567 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.6 | -1.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L561 N562 S563 I567 | L561-G565 PolarHBondContact O-N 2.72Å; N562-G565 PolarHBondContact O-N 2.94Å; S563-G565 VanDerWaalsContact C-N 3.33Å; G565-I567 PolarHBondContact O-N 2.75Å |
| 566 | F | 85.3 | Confident | 87.2 | Confident | 41 Ų | 41 | 73.9 Ų | 73.9 | 18% | 0.18 | 38% | 0.384 | C | S | . | . | trans | -80.3 | 83.9 | 174.1 | -61.8 | -83.6 | 0 | 0 | 0 | 110.5 | L561 N562 M564 N568 N572 I587 L590 L591 | L561-F566 HydrophobicContact CB-CB 4.34Å; L561-F566 HydrophobicContact CD2-CD2 3.96Å; L561-F566 HydrophobicContact CD2-CE2 4.42Å; L561-F566 WeakPolarHBondContact O-CB 3.27Å; L561-F566 PolarHBondContact O-N 2.84Å; N562-F566 WeakPolarHBondContact CA-O 3.34Å; M564-F566 HydrophobicContact CB-CD2 4.32Å; F566-N568 VanDerWaalsContact C-N 3.29Å; F566-N568 PolarHBondContact O-N 3.01Å; F566-N572 VanDerWaalsContact CB-OD1 3.31Å; F566-N572 WeakPolarHBondContact CB-OD1 3.39Å; F566-N572 PolarHBondContact O-ND2 3.37Å; F566-I587 HydrophobicContact CE2-CG1 4Å; F566-I587 HydrophobicContact CE2-CG2 4.22Å; F566-I587 HydrophobicContact CZ-CG2 4.04Å; F566-L590 HydrophobicContact CB-CD1 4.36Å; F566-L590 HydrophobicContact CD1-CB 3.86Å; F566-L590 HydrophobicContact CD1-CD1 3.78Å; F566-L590 HydrophobicContact CD1-CG 4.27Å; F566-L590 HydrophobicContact CD2-CD1 4.43Å; F566-L590 HydrophobicContact CE1-CB 3.56Å; F566-L590 HydrophobicContact CE1-CD1 4.15Å; F566-L590 HydrophobicContact CE1-CG 4.42Å; F566-L590 HydrophobicContact CG-CD1 3.94Å; F566-L590 HydrophobicContact CZ-CB 4.28Å; F566-L591 HydrophobicContact CE1-CD1 3.93Å; F566-L591 HydrophobicContact CZ-CD1 3.59Å | ||
| 567 | I | 86.7 | Confident | 87.3 | Confident | 132 Ų | 132 | 70.1 Ų | 70.1 | 68% | 0.677 | 37% | 0.368 | S | S | * | . | trans | -70.6 | -18.5 | -176.2 | 60.7 | 174.2 | 0 | 0 | 0 | 114.7 | G565 R569 | G565-I567 PolarHBondContact O-N 2.75Å; I567-R569 PolarHBondContact O-N 3.41Å | ||
| 568 | N | 86 | Confident | 87.3 | Confident | 104 Ų | 104 | 70.5 Ų | 70.5 | 56% | 0.556 | 38% | 0.379 | S | S | * | . | trans | -79.4 | 86.3 | -175.9 | -78.9 | -17.9 | 0 | 0 | 0 | 111.6 | F566 E570 A571 N572 | F566-N568 VanDerWaalsContact C-N 3.29Å; F566-N568 PolarHBondContact O-N 3.01Å; N568-E570 PolarHBondContact O-N 3.36Å; N568-E570 VanDerWaalsContact O-N 3.14Å; N568-A571 HydrophobicContact CB-CB 3.82Å; N568-A571 PolarHBondContact O-N 3.17Å; N568-N572 VanDerWaalsContact O-CG 3.28Å; N568-N572 PolarHBondContact O-N 3.24Å; N568-N572 PolarHBondContact O-OD1 2.99Å | ||
| 569 | R | 85.8 | Confident | 87.4 | Confident | 138 Ų | 138 | 71.6 Ų | 71.6 | 52% | 0.521 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -47.8 | -42.7 | 179.9 | -175.3 | 178.4 | -78.5 | -154 | -0 | 113.4 | E551 L558 I567 N572 L573 | E551-R569 WeakPolarHBondContact OE1-CD 3.47Å; E551-R569 IonicContact OE1-CZ 3.83Å; E551-R569 IonicContact OE1-NE 3.62Å; E551-R569 IonicContact OE1-NH1 3.45Å; E551-R569 PolarHBondContact OE1-NH1 2.88Å; L558-R569 HydrophobicContact CD2-CG 3.57Å; L558-R569 HydrophobicContact CG-CG 4.1Å; I567-R569 PolarHBondContact O-N 3.41Å; R569-N572 PolarHBondContact O-N 3.13Å; R569-L573 VanDerWaalsContact O-CB 3.26Å; R569-L573 WeakPolarHBondContact O-CB 3.46Å; R569-L573 PolarHBondContact O-N 2.83Å |
| 570 | E | 85.9 | Confident | 87.3 | Confident | 171 Ų | 171 | 68.4 Ų | 68.4 | 80% | 0.799 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -67 | -43 | 178.7 | -71.2 | 173.3 | 74.2 | 0 | 0 | 113 | N568 L573 Q574 | N568-E570 PolarHBondContact O-N 3.36Å; N568-E570 VanDerWaalsContact O-N 3.14Å; E570-L573 PolarHBondContact O-N 2.8Å; E570-Q574 WeakPolarHBondContact O-CB 3.47Å; E570-Q574 PolarHBondContact O-N 2.75Å |
| 571 | A | 87.4 | Confident | 87 | Confident | 42 Ų | 42 | 64.5 Ų | 64.5 | 35% | 0.347 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | N568 L573 Q574 A575 L590 | N568-A571 HydrophobicContact CB-CB 3.82Å; N568-A571 PolarHBondContact O-N 3.17Å; A571-L573 PolarHBondContact O-N 3.28Å; A571-Q574 PolarHBondContact O-N 3.5Å; A571-A575 WeakPolarHBondContact O-CB 3.28Å; A571-A575 PolarHBondContact O-N 3.21Å; A571-L590 HydrophobicContact CB-CD2 3.77Å |
| 572 | N | 90 | Very high | 86.9 | Confident | 3 Ų | 3 | 68.2 Ų | 68.2 | 2% | 0.016 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 174.8 | -64.8 | 2.3 | 0 | 0 | 0 | 111.4 | L558 L561 F566 N568 R569 A575 L576 | L558-N572 HydrophobicContact CD1-CB 3.9Å; L561-N572 HydrophobicContact CB-CB 4.43Å; L561-N572 WeakPolarHBondContact CB-ND2 3.45Å; L561-N572 HydrophobicContact CD1-CB 3.68Å; F566-N572 VanDerWaalsContact CB-OD1 3.31Å; F566-N572 WeakPolarHBondContact CB-OD1 3.39Å; F566-N572 PolarHBondContact O-ND2 3.37Å; N568-N572 VanDerWaalsContact O-CG 3.28Å; N568-N572 PolarHBondContact O-N 3.24Å; N568-N572 PolarHBondContact O-OD1 2.99Å; R569-N572 PolarHBondContact O-N 3.13Å; N572-A575 PolarHBondContact O-N 2.94Å; N572-L576 WeakPolarHBondContact O-CB 3.36Å; N572-L576 WeakPolarHBondContact O-CG 3.39Å; N572-L576 PolarHBondContact O-N 2.98Å |
| 573 | L | 89.1 | Confident | 86.9 | Confident | 26 Ų | 26 | 65.5 Ų | 65.5 | 14% | 0.136 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63 | -44.6 | 178.5 | -176 | 59.1 | 0 | 0 | 0 | 110.9 | P550 E551 F554 L558 R569 E570 A571 A575 L576 I577 | P550-L573 HydrophobicContact CB-CD1 4.25Å; E551-L573 HydrophobicContact CB-CD1 4.35Å; E551-L573 HydrophobicContact CB-CD2 4.09Å; E551-L573 HydrophobicContact CG-CD2 4.48Å; F554-L573 HydrophobicContact CB-CD1 4.46Å; F554-L573 HydrophobicContact CD2-CD1 4.04Å; L558-L573 HydrophobicContact CD1-CB 4.09Å; L558-L573 HydrophobicContact CD1-CD1 4.35Å; R569-L573 VanDerWaalsContact O-CB 3.26Å; R569-L573 WeakPolarHBondContact O-CB 3.46Å; R569-L573 PolarHBondContact O-N 2.83Å; E570-L573 PolarHBondContact O-N 2.8Å; A571-L573 PolarHBondContact O-N 3.28Å; L573-A575 VanDerWaalsContact C-N 3.32Å; L573-A575 PolarHBondContact O-N 2.75Å; L573-L576 PolarHBondContact O-N 3.48Å; L573-I577 HydrophobicContact CD1-CD1 4.1Å; L573-I577 HydrophobicContact CD1-CG1 4.31Å; L573-I577 HydrophobicContact CG-CD1 3.83Å; L573-I577 HydrophobicContact CG-CG1 4.48Å; L573-I577 WeakPolarHBondContact O-CB 3.36Å; L573-I577 WeakPolarHBondContact O-CD1 3.31Å; L573-I577 WeakPolarHBondContact O-CG1 3.41Å; L573-I577 PolarHBondContact O-N 3.5Å |
| 574 | Q | 88.5 | Confident | 86.9 | Confident | 118 Ų | 118 | 66.1 Ų | 66.1 | 55% | 0.551 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -68.1 | -30.3 | 177.8 | -170.5 | 68.5 | -15.1 | 0 | 0 | 112.9 | E570 A571 A578 | E570-Q574 WeakPolarHBondContact O-CB 3.47Å; E570-Q574 PolarHBondContact O-N 2.75Å; A571-Q574 PolarHBondContact O-N 3.5Å; Q574-A578 WeakPolarHBondContact O-CB 3.47Å; Q574-A578 PolarHBondContact O-N 3.47Å |
| 575 | A | 88.3 | Confident | 87.2 | Confident | 5 Ų | 5 | 63.4 Ų | 63.4 | 4% | 0.041 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -69.2 | -51 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111 | A571 N572 L573 I577 A578 T579 A586 L590 | A571-A575 WeakPolarHBondContact O-CB 3.28Å; A571-A575 PolarHBondContact O-N 3.21Å; N572-A575 PolarHBondContact O-N 2.94Å; L573-A575 VanDerWaalsContact C-N 3.32Å; L573-A575 PolarHBondContact O-N 2.75Å; A575-I577 PolarHBondContact O-N 2.9Å; A575-A578 CarbonylContact O-C 3.59Å; A575-A578 WeakPolarHBondContact O-CA 3.45Å; A575-A578 WeakPolarHBondContact O-CB 3.44Å; A575-A578 PolarHBondContact O-N 3.03Å; A575-T579 WeakPolarHBondContact O-CG2 3.49Å; A575-T579 PolarHBondContact O-N 2.98Å; A575-T579 PolarHBondContact O-OG1 3.36Å; A575-A586 HydrophobicContact CB-CB 3.88Å; A575-L590 HydrophobicContact CB-CD1 4.23Å; A575-L590 HydrophobicContact CB-CD2 4.22Å; A575-L590 HydrophobicContact CB-CG 3.88Å |
| 576 | L | 90.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.7 | -36.6 | -179.2 | -73.8 | 162.9 | 0 | 0 | 0 | 113.6 | F554 Q557 L558 L561 N572 L573 A578 T579 G580 G581 I583 A586 | F554-L576 HydrophobicContact CB-CB 4.35Å; F554-L576 HydrophobicContact CB-CD1 4.21Å; F554-L576 HydrophobicContact CD1-CB 4.32Å; F554-L576 HydrophobicContact CD2-CB 4.24Å; F554-L576 HydrophobicContact CG-CB 4.06Å; Q557-L576 HydrophobicContact CB-CD1 3.54Å; Q557-L576 HydrophobicContact CB-CD2 3.76Å; Q557-L576 HydrophobicContact CB-CG 4.31Å; Q557-L576 HydrophobicContact CG-CD2 4.22Å; L558-L576 HydrophobicContact CD1-CD1 3.74Å; L561-L576 HydrophobicContact CD1-CD1 3.55Å; L561-L576 HydrophobicContact CD1-CD2 4.44Å; L561-L576 HydrophobicContact CD1-CG 3.91Å; N572-L576 WeakPolarHBondContact O-CB 3.36Å; N572-L576 WeakPolarHBondContact O-CG 3.39Å; N572-L576 PolarHBondContact O-N 2.98Å; L573-L576 PolarHBondContact O-N 3.48Å; L576-A578 VanDerWaalsContact C-N 3.28Å; L576-A578 PolarHBondContact O-N 2.75Å; L576-T579 WeakPolarHBondContact CA-OG1 3.34Å; L576-T579 PolarHBondContact O-N 3.42Å; L576-G580 PolarHBondContact O-N 2.97Å; L576-G581 PolarHBondContact O-N 3.45Å; L576-I583 HydrophobicContact CD2-CG1 4.49Å; L576-A586 HydrophobicContact CD2-CB 3.9Å; L576-A586 HydrophobicContact CG-CB 4.06Å |
| 577 | I | 87.1 | Confident | 87.5 | Confident | 74 Ų | 74 | 60.9 Ų | 60.9 | 38% | 0.379 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.9 | -42.5 | 170 | -72.4 | 164.7 | 0 | 0 | 0 | 110.4 | P550 F554 L573 A575 | P550-I577 HydrophobicContact CB-CD1 3.81Å; P550-I577 HydrophobicContact CB-CG1 3.9Å; P550-I577 HydrophobicContact CG-CD1 3.83Å; P550-I577 HydrophobicContact CG-CG1 4.47Å; F554-I577 HydrophobicContact CD2-CG1 4.19Å; F554-I577 HydrophobicContact CE2-CB 4.47Å; F554-I577 HydrophobicContact CE2-CG1 3.77Å; L573-I577 HydrophobicContact CD1-CD1 4.1Å; L573-I577 HydrophobicContact CD1-CG1 4.31Å; L573-I577 HydrophobicContact CG-CD1 3.83Å; L573-I577 HydrophobicContact CG-CG1 4.48Å; L573-I577 WeakPolarHBondContact O-CB 3.36Å; L573-I577 WeakPolarHBondContact O-CD1 3.31Å; L573-I577 WeakPolarHBondContact O-CG1 3.41Å; L573-I577 PolarHBondContact O-N 3.5Å; A575-I577 PolarHBondContact O-N 2.9Å |
| 578 | A | 86.8 | Confident | 87.5 | Confident | 54 Ų | 54 | 61.5 Ų | 61.5 | 45% | 0.446 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -76.7 | -22.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q574 A575 L576 | Q574-A578 WeakPolarHBondContact O-CB 3.47Å; Q574-A578 PolarHBondContact O-N 3.47Å; A575-A578 CarbonylContact O-C 3.59Å; A575-A578 WeakPolarHBondContact O-CA 3.45Å; A575-A578 WeakPolarHBondContact O-CB 3.44Å; A575-A578 PolarHBondContact O-N 3.03Å; L576-A578 VanDerWaalsContact C-N 3.28Å; L576-A578 PolarHBondContact O-N 2.75Å |
| 579 | T | 89.5 | Confident | 87.5 | Confident | 34 Ų | 34 | 62.5 Ų | 62.5 | 21% | 0.209 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -101.7 | 2.4 | 178.8 | 64.1 | 0 | 0 | 0 | 0 | 113.3 | A575 L576 G581 D582 A585 A586 | A575-T579 WeakPolarHBondContact O-CG2 3.49Å; A575-T579 PolarHBondContact O-N 2.98Å; A575-T579 PolarHBondContact O-OG1 3.36Å; L576-T579 WeakPolarHBondContact CA-OG1 3.34Å; L576-T579 PolarHBondContact O-N 3.42Å; T579-G581 PolarHBondContact O-N 3.01Å; T579-D582 PolarHBondContact O-N 3.03Å; T579-D582 PolarHBondContact OG1-O 3.1Å; T579-A585 HydrophobicContact CG2-CB 3.58Å; T579-A586 HydrophobicContact CG2-CB 4.44Å |
| 580 | G | 84.2 | Confident | 87.5 | Confident | 66 Ų | 66 | 56.7 Ų | 56.7 | 68% | 0.68 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 16.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L576 | L576-G580 PolarHBondContact O-N 2.97Š|
| 581 | G | 81.8 | Confident | 87.6 | Confident | 16 Ų | 16 | 52.9 Ų | 52.9 | 17% | 0.165 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 99.5 | -0.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L576 T579 I583 | L576-G581 PolarHBondContact O-N 3.45Å; T579-G581 PolarHBondContact O-N 3.01Å; G581-I583 PolarHBondContact O-N 3.03Å |
| 582 | D | 87.2 | Confident | 87.3 | Confident | 78 Ų | 78 | 52.8 Ų | 52.8 | 42% | 0.417 | 31% | 0.305 | S | S | . | . | trans | -70.7 | 122.4 | 172.8 | -168.4 | -68.1 | 0 | 0 | 0 | 110.8 | T579 N584 A585 A586 | T579-D582 PolarHBondContact O-N 3.03Å; T579-D582 PolarHBondContact OG1-O 3.1Å; D582-N584 WeakPolarHBondContact OD1-CA 3.44Å; D582-N584 WeakPolarHBondContact OD1-CB 3.28Å; D582-N584 PolarHBondContact OD1-N 3.36Å; D582-A585 HydrophobicContact CB-CB 4.25Å; D582-A585 PolarHBondContact OD1-N 3.31Å; D582-A586 VanDerWaalsContact O-CB 3.28Å; D582-A586 WeakPolarHBondContact O-CB 3.36Å; D582-A586 PolarHBondContact O-N 3.01Å; D582-A586 VanDerWaalsContact O-N 3.17Å | ||
| 583 | I | 86.6 | Confident | 86.5 | Confident | 27 Ų | 27 | 56.6 Ų | 56.6 | 14% | 0.138 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -75.4 | -36.6 | -175.6 | -53 | -179.6 | 0 | 0 | 0 | 111.4 | Q557 Q560 L561 M564 L576 G581 A586 I587 | Q557-I583 HydrophobicContact CB-CD1 4.24Å; Q557-I583 HydrophobicContact CB-CG1 4.09Å; Q557-I583 HydrophobicContact CG-CD1 3.92Å; Q557-I583 HydrophobicContact CG-CG1 3.8Å; Q560-I583 HydrophobicContact CB-CD1 4.41Å; Q560-I583 HydrophobicContact CG-CD1 4.31Å; L561-I583 HydrophobicContact CD2-CG2 4.09Å; L561-I583 HydrophobicContact CG-CG2 4.31Å; M564-I583 HydrophobicContact CE-CG2 3.76Å; L576-I583 HydrophobicContact CD2-CG1 4.49Å; G581-I583 PolarHBondContact O-N 3.03Å; I583-A586 WeakPolarHBondContact O-CB 3.48Å; I583-A586 PolarHBondContact O-N 3.08Å; I583-I587 HydrophobicContact CG2-CD1 4.21Å; I583-I587 VanDerWaalsContact O-CG1 3.28Å; I583-I587 WeakPolarHBondContact O-CG1 3.29Å; I583-I587 PolarHBondContact O-N 3.14Å |
| 584 | N | 88.4 | Confident | 85.5 | Confident | 115 Ų | 115 | 62.4 Ų | 62.4 | 62% | 0.615 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -69.3 | -48.5 | -177.3 | -57.4 | -74.5 | 0 | 0 | 0 | 110.1 | D582 A586 I587 E588 | D582-N584 WeakPolarHBondContact OD1-CA 3.44Å; D582-N584 WeakPolarHBondContact OD1-CB 3.28Å; D582-N584 PolarHBondContact OD1-N 3.36Å; N584-A586 PolarHBondContact O-N 3.06Å; N584-I587 WeakPolarHBondContact O-CB 3.43Å; N584-I587 PolarHBondContact O-N 2.93Å; N584-I587 VanDerWaalsContact O-N 3.14Å; N584-E588 PolarHBondContact O-N 3.37Å |
| 585 | A | 89.4 | Confident | 84.1 | Confident | 33 Ų | 33 | 64 Ų | 64 | 27% | 0.273 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.1 | -28.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | T579 D582 R589 | T579-A585 HydrophobicContact CG2-CB 3.58Å; D582-A585 HydrophobicContact CB-CB 4.25Å; D582-A585 PolarHBondContact OD1-N 3.31Å; A585-R589 WeakPolarHBondContact O-CB 3.2Å; A585-R589 PolarHBondContact O-N 2.88Å; A585-R589 VanDerWaalsContact O-N 3.1Å |
| 586 | A | 88.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -70 | -41 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L561 A575 L576 T579 D582 I583 N584 R589 L590 | L561-A586 HydrophobicContact CD1-CB 4.35Å; A575-A586 HydrophobicContact CB-CB 3.88Å; L576-A586 HydrophobicContact CD2-CB 3.9Å; L576-A586 HydrophobicContact CG-CB 4.06Å; T579-A586 HydrophobicContact CG2-CB 4.44Å; D582-A586 VanDerWaalsContact O-CB 3.28Å; D582-A586 WeakPolarHBondContact O-CB 3.36Å; D582-A586 PolarHBondContact O-N 3.01Å; D582-A586 VanDerWaalsContact O-N 3.17Å; I583-A586 WeakPolarHBondContact O-CB 3.48Å; I583-A586 PolarHBondContact O-N 3.08Å; N584-A586 PolarHBondContact O-N 3.06Å; A586-R589 PolarHBondContact O-N 3.23Å; A586-L590 WeakPolarHBondContact O-CB 3.37Å; A586-L590 WeakPolarHBondContact O-CD1 3.49Å; A586-L590 WeakPolarHBondContact O-CG 3.46Å; A586-L590 PolarHBondContact O-N 3.03Å |
| 587 | I | 89.6 | Confident | 81.8 | Confident | 42 Ų | 42 | 74.9 Ų | 74.9 | 22% | 0.215 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -59.7 | -48 | 173 | -67.1 | 162.4 | 0 | 0 | 0 | 110.7 | L561 M564 F566 I583 N584 R589 L590 L591 | L561-I587 HydrophobicContact CD2-CG1 3.74Å; M564-I587 HydrophobicContact CE-CD1 3.7Å; M564-I587 HydrophobicContact CE-CG1 4.27Å; M564-I587 HydrophobicContact SD-CD1 4.08Å; F566-I587 HydrophobicContact CE2-CG1 4Å; F566-I587 HydrophobicContact CE2-CG2 4.22Å; F566-I587 HydrophobicContact CZ-CG2 4.04Å; I583-I587 HydrophobicContact CG2-CD1 4.21Å; I583-I587 VanDerWaalsContact O-CG1 3.28Å; I583-I587 WeakPolarHBondContact O-CG1 3.29Å; I583-I587 PolarHBondContact O-N 3.14Å; N584-I587 WeakPolarHBondContact O-CB 3.43Å; N584-I587 PolarHBondContact O-N 2.93Å; N584-I587 VanDerWaalsContact O-N 3.14Å; I587-R589 VanDerWaalsContact C-N 3.29Å; I587-R589 PolarHBondContact O-N 2.88Å; I587-L590 PolarHBondContact O-N 3.36Å; I587-L591 HydrophobicContact CG2-CD1 4.11Å; I587-L591 PolarHBondContact O-N 2.98Å |
| 588 | E | 87.5 | Confident | 81.5 | Confident | 145 Ų | 145 | 74.9 Ų | 74.9 | 68% | 0.678 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -57.4 | -43.7 | 177.1 | -69.5 | -176.4 | 106.5 | 0 | 0 | 111.7 | N584 L591 G592 | N584-E588 PolarHBondContact O-N 3.37Å; E588-L591 PolarHBondContact O-N 3.01Å; E588-G592 PolarHBondContact O-N 3.27Å |
| 589 | R | 85.5 | Confident | 81.2 | Confident | 126 Ų | 126 | 76.1 Ų | 76.1 | 48% | 0.475 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.2 | -36.9 | 179.1 | -154.3 | 173.1 | -159.6 | -109.7 | 1.5 | 112.6 | A585 A586 I587 S593 | A585-R589 WeakPolarHBondContact O-CB 3.2Å; A585-R589 PolarHBondContact O-N 2.88Å; A585-R589 VanDerWaalsContact O-N 3.1Å; A586-R589 PolarHBondContact O-N 3.23Å; I587-R589 VanDerWaalsContact C-N 3.29Å; I587-R589 PolarHBondContact O-N 2.88Å; R589-S593 VanDerWaalsContact O-CB 3.29Å; R589-S593 WeakPolarHBondContact O-CB 3.44Å; R589-S593 PolarHBondContact O-N 3.48Å; R589-S593 PolarHBondContact O-OG 3.32Å |
| 590 | L | 87 | Confident | 80.8 | Confident | 15 Ų | 15 | 78.6 Ų | 78.6 | 8% | 0.079 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -69.1 | -40.3 | 175.4 | -74 | 163.6 | 0 | 0 | 0 | 112.1 | L561 F566 A571 A575 A586 I587 S593 Q594 | L561-L590 HydrophobicContact CD1-CD1 4.13Å; L561-L590 HydrophobicContact CD2-CD1 3.95Å; F566-L590 HydrophobicContact CB-CD1 4.36Å; F566-L590 HydrophobicContact CD1-CB 3.86Å; F566-L590 HydrophobicContact CD1-CD1 3.78Å; F566-L590 HydrophobicContact CD1-CG 4.27Å; F566-L590 HydrophobicContact CD2-CD1 4.43Å; F566-L590 HydrophobicContact CE1-CB 3.56Å; F566-L590 HydrophobicContact CE1-CD1 4.15Å; F566-L590 HydrophobicContact CE1-CG 4.42Å; F566-L590 HydrophobicContact CG-CD1 3.94Å; F566-L590 HydrophobicContact CZ-CB 4.28Å; A571-L590 HydrophobicContact CB-CD2 3.77Å; A575-L590 HydrophobicContact CB-CD1 4.23Å; A575-L590 HydrophobicContact CB-CD2 4.22Å; A575-L590 HydrophobicContact CB-CG 3.88Å; A586-L590 WeakPolarHBondContact O-CB 3.37Å; A586-L590 WeakPolarHBondContact O-CD1 3.49Å; A586-L590 WeakPolarHBondContact O-CG 3.46Å; A586-L590 PolarHBondContact O-N 3.03Å; I587-L590 PolarHBondContact O-N 3.36Å; L590-S593 CarbonylContact O-C 3.53Å; L590-S593 PolarHBondContact O-N 3.11Å; L590-Q594 PolarHBondContact O-N 3.25Å; L590-Q594 VanDerWaalsContact O-N 3.08Å |
| 591 | L | 86 | Confident | 80.5 | Confident | 92 Ų | 92 | 79.4 Ų | 79.4 | 48% | 0.482 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.2 | -48.7 | 171.8 | -100.9 | 64.5 | 0 | 0 | 0 | 111.2 | F566 I587 E588 S593 Q594 L595 | F566-L591 HydrophobicContact CE1-CD1 3.93Å; F566-L591 HydrophobicContact CZ-CD1 3.59Å; I587-L591 HydrophobicContact CG2-CD1 4.11Å; I587-L591 PolarHBondContact O-N 2.98Å; E588-L591 PolarHBondContact O-N 3.01Å; L591-S593 PolarHBondContact O-N 3.06Å; L591-Q594 PolarHBondContact O-N 3.02Å; L591-L595 VanDerWaalsContact O-CD1 3.32Å; L591-L595 WeakPolarHBondContact O-CD1 3.32Å; L591-L595 PolarHBondContact O-N 3.2Å |
| 592 | G | 81.4 | Confident | 80.5 | Confident | 39 Ų | 39 | 83.6 Ų | 83.6 | 40% | 0.402 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.8 | -35 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E588 Q594 S596 | E588-G592 PolarHBondContact O-N 3.27Å; G592-Q594 VanDerWaalsContact C-N 3.35Å; G592-S596 PolarHBondContact O-OG 3.3Å |
| 593 | S | 74.5 | Confident | 80 | Confident | 83 Ų | 83 | 84 Ų | 84 | 58% | 0.58 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -3.3 | 178 | -54.9 | 0 | 0 | 0 | 0 | 114.4 | R589 L590 L591 | R589-S593 VanDerWaalsContact O-CB 3.29Å; R589-S593 WeakPolarHBondContact O-CB 3.44Å; R589-S593 PolarHBondContact O-N 3.48Å; R589-S593 PolarHBondContact O-OG 3.32Å; L590-S593 CarbonylContact O-C 3.53Å; L590-S593 PolarHBondContact O-N 3.11Å; L591-S593 PolarHBondContact O-N 3.06Å |
| 594 | Q | 66.5 | Low | 79.5 | Confident | 149 Ų | 149 | 88.4 Ų | 88.4 | 70% | 0.696 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -18.5 | 170.1 | -97 | -91.2 | 16.7 | 0 | 0 | 112.4 | L590 L591 G592 | L590-Q594 PolarHBondContact O-N 3.25Å; L590-Q594 VanDerWaalsContact O-N 3.08Å; L591-Q594 PolarHBondContact O-N 3.02Å; G592-Q594 VanDerWaalsContact C-N 3.35Å |
| 595 | L | 60.4 | Low | 78.7 | Confident | 152 Ų | 152 | 86.2 Ų | 86.2 | 80% | 0.796 | 48% | 0.482 | S | S | * | . | trans | -100.7 | 9.3 | 178.3 | -83.9 | 82.6 | 0 | 0 | 0 | 113.4 | L591 | L591-L595 VanDerWaalsContact O-CD1 3.32Å; L591-L595 WeakPolarHBondContact O-CD1 3.32Å; L591-L595 PolarHBondContact O-N 3.2Å | ||
| 596 | S | 48.4 | Very low | 77.8 | Confident | 158 Ų | 158 | 91 Ų | 91 | 100% | 1.105 | 50% | 0.501 | S | S | * | . | trans | -121.7 | 0 | 179.4 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | G592 | G592-S596 PolarHBondContact O-OG 3.3Š|
Retrieved 596 of 596 residues in 893.4 ms
(Link to these results)