| 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 | 39.1 | Very low | 43.9 | Very low | 237 Ų | 237 | 174.6 Ų | 174.6 | 100% | 1.167 | 86% | 0.859 | S | S | * | * | 0 | 85.2 | 0 | -67.4 | 174.7 | 173.3 | 0 | 0 | 109.9 | |||||
| 2 | Q | 37.9 | Very low | 47 | Very low | 198 Ų | 198 | 166.4 Ų | 166.4 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | -146.2 | 44.8 | 177.1 | -77.8 | -169.1 | -20.3 | 0 | 0 | 111 | ||||
| 3 | S | 41.7 | Very low | 50.1 | Low | 114 Ų | 114 | 155.6 Ų | 155.6 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | -149.6 | 33.6 | -165 | 43.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 4 | L | 46.9 | Very low | 53 | Low | 166 Ų | 166 | 145.7 Ų | 145.7 | 87% | 0.869 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -137.1 | 9.5 | 177.5 | -108.6 | 173.1 | 0 | 0 | 0 | 116.2 | ||
| 5 | C | 40.6 | Very low | 55.5 | Low | 128 Ų | 128 | 142.3 Ų | 142.3 | 87% | 0.865 | 70% | 0.699 | S | S | * | * | trans | -115.5 | 45.9 | 173.7 | -65.6 | 0 | 0 | 0 | 0 | 112.8 | I7 | C5-I7 PolarHBondContact O-N 2.76Š| ||
| 6 | R | 42.3 | Very low | 57.7 | Low | 240 Ų | 240 | 138.1 Ų | 138.1 | 91% | 0.906 | 68% | 0.68 | S | S | * | * | trans | -67.6 | 117.7 | 149.8 | -86 | -173.2 | 174.5 | 175.7 | -0.9 | 106.5 | K8 | R6-K8 PolarHBondContact O-N 2.65Š| ||
| 7 | I | 39.6 | Very low | 59.9 | Low | 153 Ų | 153 | 129.9 Ų | 129.9 | 79% | 0.785 | 64% | 0.64 | S | S | * | * | trans | -61.3 | 104.8 | 175.9 | -61.7 | 171.3 | 0 | 0 | 0 | 107.5 | C5 M9 | C5-I7 PolarHBondContact O-N 2.76Å; I7-M9 HydrophobicContact CG2-CG 4Å; I7-M9 PolarHBondContact O-N 3.37Å | ||
| 8 | K | 41.1 | Very low | 61.8 | Low | 186 Ų | 186 | 129.7 Ų | 129.7 | 81% | 0.809 | 64% | 0.635 | S | S | * | * | trans | -67.7 | 92.1 | 158.2 | -78 | -173.2 | 176.4 | -177.7 | 0 | 106.2 | R6 Q10 | R6-K8 PolarHBondContact O-N 2.65Å; K8-Q10 PolarHBondContact O-N 3.25Å | ||
| 9 | M | 41.8 | Very low | 63.5 | Low | 154 Ų | 154 | 123.4 Ų | 123.4 | 76% | 0.759 | 61% | 0.605 | S | S | * | * | trans | -61.8 | 101.7 | 151.6 | -68.8 | -158.6 | -65.7 | 0 | 0 | 105 | I7 F11 | I7-M9 HydrophobicContact CG2-CG 4Å; I7-M9 PolarHBondContact O-N 3.37Å; M9-F11 PolarHBondContact O-N 2.8Å | ||
| 10 | Q | 48.8 | Very low | 64.9 | Low | 174 Ų | 174 | 121.3 Ų | 121.3 | 81% | 0.813 | 60% | 0.599 | S | S | * | * | trans | -65.7 | 108.9 | 175 | -69.8 | 173.4 | -59.5 | 0 | 0 | 105.8 | K8 R12 | K8-Q10 PolarHBondContact O-N 3.25Å; Q10-R12 PolarHBondContact O-N 3.45Å | ||
| 11 | F | 62.8 | Low | 66.2 | Low | 171 Ų | 171 | 119.6 Ų | 119.6 | 75% | 0.75 | 59% | 0.592 | S | S | * | * | trans | -54.5 | 119.3 | 174.1 | -71.9 | -80.1 | 0 | 0 | 0 | 107.8 | M9 T13 | M9-F11 PolarHBondContact O-N 2.8Å; F11-T13 PolarHBondContact O-N 3Å | ||
| 12 | R | 81.4 | Confident | 68.7 | Low | 76 Ų | 76 | 108.6 Ų | 108.6 | 29% | 0.287 | 54% | 0.539 | S | S | . | . | trans | -71 | 94.9 | -171.2 | -174.7 | -172.9 | 178.3 | -156 | -2.8 | 108.5 | Q10 Y40 D42 T44 H46 | Q10-R12 PolarHBondContact O-N 3.45Å; R12-Y40 HydrophobicContact CG-CD1 3.71Å; R12-Y40 HydrophobicContact CG-CE1 4.48Å; R12-Y40 HydrophobicContact CG-CG 4.09Å; R12-D42 WeakPolarHBondContact CG-OD1 3.38Å; R12-D42 IonicContact CZ-OD1 2.7Å; R12-D42 IonicContact CZ-OD2 3.67Å; R12-D42 IonicContact NE-OD1 2.62Å; R12-D42 PolarHBondContact NE-OD1 2.89Å; R12-D42 IonicContact NE-OD2 3.72Å; R12-D42 IonicContact NH2-OD1 3.97Å; R12-D42 IonicContact NH2-OD2 2.74Å; R12-T44 PolarHBondContact NH2-OG1 3.29Å; R12-H46 PolarHBondContact NH1-CD2 3.1Å; R12-H46 VanDerWaalsContact NH1-CD2 3.33Å; R12-H46 PolarHBondContact NH1-NE2 2.94Å; R12-H46 VanDerWaalsContact NH1-NE2 3.15Å; R12-H46 PolarHBondContact NH2-CD2 2.82Å; R12-H46 PolarHBondContact NH2-NE2 2.7Å | ||
| 13 | T | 87.1 | Confident | 71.2 | Confident | 26 Ų | 26 | 102.5 Ų | 102.5 | 16% | 0.16 | 51% | 0.51 | C | S | . | . | trans | -76 | 153.9 | -176 | 56.4 | 0 | 0 | 0 | 0 | 110.9 | F11 Y40 S41 Q121 | F11-T13 PolarHBondContact O-N 3Å; T13-Y40 CarbonylContact O-C 3.55Å; T13-Y40 VanDerWaalsContact O-CA 3.31Å; T13-Y40 WeakPolarHBondContact O-CA 3.43Å; T13-S41 PolarHBondContact N-OG 2.88Å; T13-S41 PolarHBondContact O-N 3.07Å; T13-S41 WeakPolarHBondContact OG1-CB 3.08Å; T13-Q121 HydrophobicContact CG2-CB 4.4Å; T13-Q121 HydrophobicContact CG2-CG 3.89Å | ||
| 14 | V | 91.1 | Very high | 73.5 | Confident | 17 Ų | 17 | 99.6 Ų | 99.6 | 10% | 0.103 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 130.2 | 173.6 | 178.9 | 0 | 0 | 0 | 0 | 108.8 | V17 V38 Y40 V113 L126 F129 | V14-V17 HydrophobicContact CG1-CG2 3.41Å; V14-V17 VanDerWaalsContact CG1-CG2 3.41Å; V14-V38 HydrophobicContact CB-CG1 4.49Å; V14-V38 HydrophobicContact CG1-CG1 3.87Å; V14-V38 HydrophobicContact CG2-CG1 3.92Å; V14-Y40 HydrophobicContact CG2-CD1 4.27Å; V14-Y40 HydrophobicContact CG2-CE1 4.31Å; V14-V113 HydrophobicContact CB-CG2 4.49Å; V14-V113 HydrophobicContact CG1-CG1 4.13Å; V14-V113 HydrophobicContact CG1-CG2 3.76Å; V14-L126 HydrophobicContact CG2-CD2 4.48Å; V14-F129 HydrophobicContact CG1-CD2 4.5Å; V14-F129 HydrophobicContact CG2-CB 3.7Å; V14-F129 HydrophobicContact CG2-CD2 4Å; V14-F129 HydrophobicContact CG2-CG 4.11Å |
| 15 | L | 89.7 | Confident | 75.3 | Confident | 94 Ų | 94 | 92.7 Ų | 92.7 | 49% | 0.492 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -44.6 | 176.4 | -67.3 | -175.5 | 0 | 0 | 0 | 112.3 | T39 Y40 | L15-T39 PolarHBondContact N-O 2.9Å; L15-Y40 WeakPolarHBondContact CD1-O 3.36Å |
| 16 | D | 91 | Very high | 77.1 | Confident | 75 Ų | 75 | 92.5 Ų | 92.5 | 40% | 0.401 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 151.2 | 178.8 | -171 | 39.4 | 0 | 0 | 0 | 111 | T39 | D16-T39 PolarHBondContact N-O 3.08Å; D16-T39 PolarHBondContact O-N 2.77Å |
| 17 | V | 94.8 | Very high | 78.5 | Confident | 0 Ų | 0 | 86.4 Ų | 86.4 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 130.9 | 179.2 | 176.9 | 0 | 0 | 0 | 0 | 109.5 | V14 I36 N37 V38 C109 R110 V113 F129 | V14-V17 HydrophobicContact CG1-CG2 3.41Å; V14-V17 VanDerWaalsContact CG1-CG2 3.41Å; V17-I36 HydrophobicContact CG1-CG2 3.39Å; V17-N37 WeakPolarHBondContact CA-O 3.25Å; V17-V38 HydrophobicContact CG2-CG1 4.25Å; V17-V38 HydrophobicContact CG2-CG2 4.31Å; V17-C109 HydrophobicContact CB-CB 4.13Å; V17-C109 HydrophobicContact CG1-CB 3.62Å; V17-R110 WeakPolarHBondContact O-CG 3.25Å; V17-V113 HydrophobicContact CB-CG2 4.39Å; V17-V113 HydrophobicContact CG2-CG2 3.78Å; V17-F129 HydrophobicContact CB-CE1 4.39Å; V17-F129 HydrophobicContact CG1-CD1 4.49Å; V17-F129 HydrophobicContact CG1-CE1 3.79Å; V17-F129 HydrophobicContact CG1-CZ 4.27Å; V17-F129 HydrophobicContact CG2-CD1 4.08Å; V17-F129 HydrophobicContact CG2-CE1 3.82Å; V17-F129 HydrophobicContact CG2-CE2 4.32Å; V17-F129 HydrophobicContact CG2-CG 4.48Å; V17-F129 HydrophobicContact CG2-CZ 3.95Å |
| 18 | K | 94.2 | Very high | 80.1 | Confident | 125 Ų | 125 | 84.8 Ų | 84.8 | 54% | 0.543 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 120.8 | 177.1 | -177 | 177.8 | -179.9 | 179.5 | 0 | 110.6 | V20 N37 D106 | K18-V20 PolarHBondContact O-N 2.8Å; K18-N37 PolarHBondContact N-O 2.85Å; K18-N37 PolarHBondContact O-N 3.09Å; K18-D106 WeakPolarHBondContact CA-OD1 3.1Å |
| 19 | V | 94.3 | Very high | 81.8 | Confident | 10 Ų | 10 | 79.3 Ų | 79.3 | 6% | 0.061 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 118.6 | 172.9 | -164.4 | 0 | 0 | 0 | 0 | 108.4 | Y34 I36 L102 I105 D106 | V19-Y34 HydrophobicContact CG1-CD1 4.16Å; V19-Y34 HydrophobicContact CG1-CG 4.43Å; V19-I36 HydrophobicContact CG1-CG1 4.24Å; V19-I36 HydrophobicContact CG2-CG1 4.3Å; V19-I36 HydrophobicContact CG2-CG2 4.43Å; V19-L102 HydrophobicContact CB-CD1 4.11Å; V19-L102 HydrophobicContact CG1-CD1 3.46Å; V19-L102 VanDerWaalsContact CG1-CD1 3.46Å; V19-I105 HydrophobicContact CG2-CG2 4.3Å; V19-D106 HydrophobicContact CB-CB 4.04Å; V19-D106 HydrophobicContact CG2-CB 4.02Å; V19-D106 PolarHBondContact N-OD1 2.59Å |
| 20 | V | 92.2 | Very high | 83.8 | Confident | 81 Ų | 81 | 79.7 Ų | 79.7 | 49% | 0.491 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -48.3 | -167.8 | -176.8 | 0 | 0 | 0 | 0 | 111.5 | K18 V35 N37 | K18-V20 PolarHBondContact O-N 2.8Å; V20-V35 PolarHBondContact N-O 3.48Å; V20-N37 HydrophobicContact CG2-CB 3.91Å |
| 21 | D | 90.9 | Very high | 85.5 | Confident | 86 Ų | 86 | 73 Ų | 73 | 46% | 0.46 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | -179.9 | -175.7 | -162.4 | 9.1 | 0 | 0 | 0 | 111.5 | V35 | D21-V35 HydrophobicContact CB-CG2 4.48Å; D21-V35 PolarHBondContact O-N 3.4Å |
| 22 | V | 92.4 | Very high | 86.8 | Confident | 7 Ų | 7 | 66.8 Ų | 66.8 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 106.2 | 171.1 | -170.5 | 0 | 0 | 0 | 0 | 110.3 | Y32 V33 Y34 A98 L102 | V22-Y32 HydrophobicContact CG1-CD1 3.87Å; V22-Y32 HydrophobicContact CG1-CG 4.24Å; V22-V33 CarbonylContact C-O 3.58Å; V22-V33 WeakPolarHBondContact CA-O 3.21Å; V22-Y34 HydrophobicContact CG2-CD1 3.81Å; V22-Y34 HydrophobicContact CG2-CE1 3.71Å; V22-A98 HydrophobicContact CG1-CB 3.65Å; V22-A98 HydrophobicContact CG2-CB 4.38Å; V22-L102 HydrophobicContact CG2-CB 4.33Å; V22-L102 HydrophobicContact CG2-CD1 4.02Å |
| 23 | E | 90.5 | Very high | 87.3 | Confident | 69 Ų | 69 | 63.5 Ų | 63.5 | 32% | 0.322 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 147.5 | 174.5 | -178.1 | 178.6 | -136 | 0 | 0 | 111.1 | R25 Y32 V33 V35 Y49 | E23-R25 IonicContact OE1-NE 2.71Å; E23-R25 IonicContact OE2-CZ 3.3Å; E23-R25 IonicContact OE2-NE 2.75Å; E23-R25 PolarHBondContact OE2-NE 2.89Å; E23-R25 IonicContact OE2-NH2 3.65Å; E23-R25 PolarHBondContact OE2-NH2 3.29Å; E23-Y32 WeakPolarHBondContact O-CA 3.33Å; E23-V33 HydrophobicContact CB-CG2 3.83Å; E23-V33 HydrophobicContact CG-CG2 4.44Å; E23-V33 PolarHBondContact N-O 2.87Å; E23-V33 PolarHBondContact O-N 2.83Å; E23-V35 HydrophobicContact CB-CG2 3.69Å; E23-Y49 WeakPolarHBondContact OE2-CD1 3.22Å; E23-Y49 WeakPolarHBondContact OE2-CE1 3.48Å |
| 24 | K | 89 | Confident | 87.7 | Confident | 54 Ų | 54 | 62.4 Ų | 62.4 | 24% | 0.235 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 119.3 | 172 | -177 | -161.8 | 161.7 | -138.5 | 0 | 109 | H31 Y32 | K24-H31 WeakPolarHBondContact CA-O 3.23Å; K24-Y32 HydrophobicContact CB-CD1 3.91Å; K24-Y32 HydrophobicContact CB-CE1 3.56Å; K24-Y32 HydrophobicContact CD-CE1 4.48Å; K24-Y32 HydrophobicContact CG-CD1 4.33Å; K24-Y32 HydrophobicContact CG-CE1 3.82Å |
| 25 | R | 86.1 | Confident | 87.9 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 147.7 | 172.4 | -63.4 | -79 | 176.1 | 101.4 | 0.4 | 109.9 | E23 K30 H31 V33 E141 | E23-R25 IonicContact OE1-NE 2.71Å; E23-R25 IonicContact OE2-CZ 3.3Å; E23-R25 IonicContact OE2-NE 2.75Å; E23-R25 PolarHBondContact OE2-NE 2.89Å; E23-R25 IonicContact OE2-NH2 3.65Å; E23-R25 PolarHBondContact OE2-NH2 3.29Å; R25-K30 WeakPolarHBondContact O-CA 3.14Å; R25-H31 PolarHBondContact N-O 2.98Å; R25-H31 PolarHBondContact O-N 2.79Å; R25-H31 VanDerWaalsContact O-O 3.07Å; R25-V33 HydrophobicContact CG-CG1 4.21Å; R25-V33 HydrophobicContact CG-CG2 3.97Å; R25-E141 VanDerWaalsContact C-OE1 3.32Å; R25-E141 VanDerWaalsContact CA-OE1 3.32Å; R25-E141 WeakPolarHBondContact CA-OE1 3.49Å |
| 26 | R | 78.5 | Confident | 88.1 | Confident | 124 Ų | 124 | 58 Ų | 58 | 47% | 0.468 | 29% | 0.293 | S | S | . | . | trans | -105.7 | -20.8 | 177.3 | -66.7 | 176.8 | -153.3 | -148.8 | 9.5 | 114.4 | P28 S29 E141 Y143 | R26-P28 CarbonylContact O-C 3.51Å; R26-S29 CarbonylContact C-O 3.52Å; R26-S29 CarbonylContact O-C 3.56Å; R26-S29 WeakPolarHBondContact O-CA 3.24Å; R26-S29 PolarHBondContact O-N 2.8Å; R26-S29 VanDerWaalsContact O-N 3.12Å; R26-E141 WeakPolarHBondContact CB-OE1 3.45Å; R26-E141 WeakPolarHBondContact CD-OE2 3.48Å; R26-E141 VanDerWaalsContact CG-OE1 3.29Å; R26-E141 WeakPolarHBondContact CG-OE1 3.42Å; R26-E141 IonicContact CZ-OE2 3.82Å; R26-E141 PolarHBondContact N-OE1 3.36Å; R26-E141 IonicContact NE-OE2 3.72Å; R26-E141 PolarHBondContact NE-OE2 2.88Å; R26-E141 IonicContact NH2-OE2 2.71Å; R26-Y143 PolarHBondContact NE-OH 2.86Å; R26-Y143 PolarHBondContact NH2-OH 3.41Å | ||
| 27 | N | 71.1 | Confident | 88.3 | Confident | 112 Ų | 112 | 56.8 Ų | 56.8 | 60% | 0.599 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -109.5 | 132.3 | -174.5 | -60.6 | 53 | 0 | 0 | 0 | 108.8 | S29 H31 | N27-S29 VanDerWaalsContact C-N 3.33Å; N27-H31 PolarHBondContact O-CE1 2.93Å |
| 28 | P | 72.9 | Confident | 88.3 | Confident | 119 Ų | 119 | 56.8 Ų | 56.8 | 77% | 0.773 | 29% | 0.286 | S | S | * | . | S | Bend | cis | -73.9 | -16.8 | -3.4 | 31.9 | -36.6 | 0 | 0 | 0 | 113.9 | R26 | R26-P28 CarbonylContact O-C 3.51Š|
| 29 | S | 77.3 | Confident | 88.3 | Confident | 70 Ų | 70 | 52.5 Ų | 52.5 | 49% | 0.49 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -146.7 | 166 | 172.9 | 69.5 | 0 | 0 | 0 | 0 | 111.5 | R26 N27 H31 | R26-S29 CarbonylContact C-O 3.52Å; R26-S29 CarbonylContact O-C 3.56Å; R26-S29 WeakPolarHBondContact O-CA 3.24Å; R26-S29 PolarHBondContact O-N 2.8Å; R26-S29 VanDerWaalsContact O-N 3.12Å; N27-S29 VanDerWaalsContact C-N 3.33Å; S29-H31 PolarHBondContact O-N 2.89Å; S29-H31 PolarHBondContact O-ND1 2.83Å |
| 30 | K | 82.9 | Confident | 88.2 | Confident | 163 Ų | 163 | 52.2 Ų | 52.2 | 71% | 0.709 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -63.4 | 99.4 | -178.6 | 177.4 | -172 | 166.4 | -168.2 | 0 | 111.7 | R25 | R25-K30 WeakPolarHBondContact O-CA 3.14Š|
| 31 | H | 85.3 | Confident | 88 | Confident | 32 Ų | 32 | 50.9 Ų | 50.9 | 15% | 0.148 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 173.7 | -179.2 | 70 | -93.4 | 0 | 0 | 0 | 112.8 | K24 R25 N27 S29 R51 | K24-H31 WeakPolarHBondContact CA-O 3.23Å; R25-H31 PolarHBondContact N-O 2.98Å; R25-H31 PolarHBondContact O-N 2.79Å; R25-H31 VanDerWaalsContact O-O 3.07Å; N27-H31 PolarHBondContact O-CE1 2.93Å; S29-H31 PolarHBondContact O-N 2.89Å; S29-H31 PolarHBondContact O-ND1 2.83Å; H31-R51 VanDerWaalsContact CD2-CD 3.44Å; H31-R51 WeakPolarHBondContact CD2-CD 3.49Å |
| 32 | Y | 90.3 | Very high | 87.9 | Confident | 41 Ų | 41 | 50.4 Ų | 50.4 | 16% | 0.161 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 136.4 | 175.3 | -70 | -85.3 | 0 | 0 | 0 | 110.5 | V22 E23 K24 V94 R95 A98 | V22-Y32 HydrophobicContact CG1-CD1 3.87Å; V22-Y32 HydrophobicContact CG1-CG 4.24Å; E23-Y32 WeakPolarHBondContact O-CA 3.33Å; K24-Y32 HydrophobicContact CB-CD1 3.91Å; K24-Y32 HydrophobicContact CB-CE1 3.56Å; K24-Y32 HydrophobicContact CD-CE1 4.48Å; K24-Y32 HydrophobicContact CG-CD1 4.33Å; K24-Y32 HydrophobicContact CG-CE1 3.82Å; Y32-V94 HydrophobicContact CD2-CG1 3.89Å; Y32-V94 HydrophobicContact CE2-CB 4.3Å; Y32-V94 HydrophobicContact CE2-CG1 4.16Å; Y32-R95 HydrophobicContact CE1-CB 4.11Å; Y32-R95 HydrophobicContact CE1-CG 3.78Å; Y32-R95 HydrophobicContact CE2-CB 4.22Å; Y32-R95 WeakPolarHBondContact OH-CB 3.37Å; Y32-A98 HydrophobicContact CG-CB 4.43Å |
| 33 | V | 92.8 | Very high | 87.7 | Confident | 7 Ų | 7 | 56.4 Ų | 56.4 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 145.1 | 173.5 | -62.9 | 0 | 0 | 0 | 0 | 109.4 | V22 E23 R25 Y49 R51 | V22-V33 CarbonylContact C-O 3.58Å; V22-V33 WeakPolarHBondContact CA-O 3.21Å; E23-V33 HydrophobicContact CB-CG2 3.83Å; E23-V33 HydrophobicContact CG-CG2 4.44Å; E23-V33 PolarHBondContact N-O 2.87Å; E23-V33 PolarHBondContact O-N 2.83Å; R25-V33 HydrophobicContact CG-CG1 4.21Å; R25-V33 HydrophobicContact CG-CG2 3.97Å; V33-Y49 HydrophobicContact CG2-CD1 3.92Å; V33-Y49 HydrophobicContact CG2-CG 4.46Å; V33-R51 HydrophobicContact CG1-CG 3.87Å |
| 34 | Y | 94.2 | Very high | 87.6 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 131.5 | 168.7 | -63.2 | -84 | 0 | 0 | 0 | 108.5 | V19 V22 Y49 R50 Y52 F55 A98 L102 I105 | V19-Y34 HydrophobicContact CG1-CD1 4.16Å; V19-Y34 HydrophobicContact CG1-CG 4.43Å; V22-Y34 HydrophobicContact CG2-CD1 3.81Å; V22-Y34 HydrophobicContact CG2-CE1 3.71Å; Y34-Y49 WeakPolarHBondContact O-CA 3.23Å; Y34-R50 WeakPolarHBondContact CD2-O 3.3Å; Y34-R50 PolarHBondContact N-O 3.31Å; Y34-R50 PolarHBondContact O-N 3.25Å; Y34-Y52 HydrophobicContact CE2-CD2 4.24Å; Y34-F55 AromaticContact CD2-CE2 3.84Å; Y34-F55 HydrophobicContact CD2-CE2 3.84Å; Y34-F55 HydrophobicContact CG-CE2 4.35Å; Y34-A98 WeakPolarHBondContact OH-CA 3.44Å; Y34-A98 PolarHBondContact OH-O 2.91Å; Y34-L102 HydrophobicContact CD1-CD1 4.11Å; Y34-I105 HydrophobicContact CD1-CD1 4.16Å; Y34-I105 HydrophobicContact CD2-CD1 4.17Å; Y34-I105 HydrophobicContact CE1-CD1 3.56Å; Y34-I105 HydrophobicContact CE2-CD1 3.58Å; Y34-I105 HydrophobicContact CG-CD1 4.44Å; Y34-I105 WeakPolarHBondContact OH-CD1 3.25Å |
| 35 | V | 94.7 | Very high | 87.7 | Confident | 18 Ų | 18 | 56.2 Ų | 56.2 | 11% | 0.109 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 109.1 | 175.6 | -173.6 | 0 | 0 | 0 | 0 | 107 | V20 D21 E23 I47 Y49 | V20-V35 PolarHBondContact N-O 3.48Å; D21-V35 HydrophobicContact CB-CG2 4.48Å; D21-V35 PolarHBondContact O-N 3.4Å; E23-V35 HydrophobicContact CB-CG2 3.69Å; V35-I47 HydrophobicContact CG1-CG2 3.53Å; V35-Y49 HydrophobicContact CB-CE1 4.46Å; V35-Y49 HydrophobicContact CG1-CE1 4.05Å; V35-Y49 HydrophobicContact CG2-CD1 4.1Å; V35-Y49 HydrophobicContact CG2-CE1 3.96Å |
| 36 | I | 95.3 | Very high | 88 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 119.3 | -169.2 | -49.8 | 168.4 | 0 | 0 | 0 | 108.6 | V17 V19 V38 I47 I48 R50 F55 | V17-I36 HydrophobicContact CG1-CG2 3.39Å; V19-I36 HydrophobicContact CG1-CG1 4.24Å; V19-I36 HydrophobicContact CG2-CG1 4.3Å; V19-I36 HydrophobicContact CG2-CG2 4.43Å; I36-V38 HydrophobicContact CG2-CG2 4.02Å; I36-I47 CarbonylContact O-C 3.41Å; I36-I47 WeakPolarHBondContact O-CA 3.49Å; I36-I48 HydrophobicContact CB-CD1 4.46Å; I36-I48 HydrophobicContact CB-CG1 3.76Å; I36-I48 HydrophobicContact CD1-CD1 4.35Å; I36-I48 HydrophobicContact CD1-CG1 4.2Å; I36-I48 HydrophobicContact CG1-CG1 4.45Å; I36-I48 HydrophobicContact CG2-CG1 4.32Å; I36-I48 PolarHBondContact N-O 3.27Å; I36-I48 PolarHBondContact O-N 3.17Å; I36-R50 HydrophobicContact CD1-CB 3.85Å; I36-R50 HydrophobicContact CD1-CG 3.75Å; I36-F55 HydrophobicContact CD1-CE1 4.39Å; I36-F55 HydrophobicContact CD1-CE2 4.37Å; I36-F55 HydrophobicContact CD1-CZ 3.6Å |
| 37 | N | 94.9 | Very high | 88.7 | Confident | 49 Ų | 49 | 56.3 Ų | 56.3 | 26% | 0.262 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 118.5 | 168.4 | -174.9 | 4.2 | 0 | 0 | 0 | 109.1 | V17 K18 V20 S45 H46 | V17-N37 WeakPolarHBondContact CA-O 3.25Å; K18-N37 PolarHBondContact N-O 2.85Å; K18-N37 PolarHBondContact O-N 3.09Å; V20-N37 HydrophobicContact CG2-CB 3.91Å; N37-S45 WeakPolarHBondContact OD1-CB 3.42Å; N37-H46 WeakPolarHBondContact CA-O 3.27Å; N37-H46 PolarHBondContact OD1-O 3.5Å |
| 38 | V | 94.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 122.4 | 176.9 | -177.3 | 0 | 0 | 0 | 0 | 108.1 | V14 V17 I36 Y40 S45 H46 I48 F129 | V14-V38 HydrophobicContact CB-CG1 4.49Å; V14-V38 HydrophobicContact CG1-CG1 3.87Å; V14-V38 HydrophobicContact CG2-CG1 3.92Å; V17-V38 HydrophobicContact CG2-CG1 4.25Å; V17-V38 HydrophobicContact CG2-CG2 4.31Å; I36-V38 HydrophobicContact CG2-CG2 4.02Å; V38-Y40 HydrophobicContact CB-CD2 4.42Å; V38-Y40 HydrophobicContact CB-CE2 3.83Å; V38-Y40 HydrophobicContact CG1-CD1 4.29Å; V38-Y40 HydrophobicContact CG1-CD2 3.91Å; V38-Y40 HydrophobicContact CG1-CE1 3.98Å; V38-Y40 HydrophobicContact CG1-CE2 3.52Å; V38-Y40 HydrophobicContact CG1-CG 4.31Å; V38-Y40 WeakPolarHBondContact O-CD2 3.44Å; V38-S45 CarbonylContact O-C 3.49Å; V38-S45 WeakPolarHBondContact O-CA 3.38Å; V38-H46 PolarHBondContact N-O 2.8Å; V38-H46 PolarHBondContact O-N 2.85Å; V38-I48 HydrophobicContact CG2-CD1 3.73Å; V38-I48 HydrophobicContact CG2-CG1 3.99Å; V38-F129 HydrophobicContact CG1-CB 4.15Å; V38-F129 HydrophobicContact CG2-CB 4.31Å; V38-F129 HydrophobicContact CG2-CD1 3.79Å; V38-F129 HydrophobicContact CG2-CG 4.41Å |
| 39 | T | 93.7 | Very high | 90.7 | Very high | 35 Ų | 35 | 47.4 Ų | 47.4 | 22% | 0.215 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 129.2 | 173 | -59.3 | 0 | 0 | 0 | 0 | 109.6 | L15 D16 S45 | L15-T39 PolarHBondContact N-O 2.9Å; D16-T39 PolarHBondContact N-O 3.08Å; D16-T39 PolarHBondContact O-N 2.77Å; T39-S45 PolarHBondContact OG1-OG 3.11Å |
| 40 | Y | 91.9 | Very high | 91.5 | Very high | 5 Ų | 5 | 45 Ų | 45 | 2% | 0.02 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 170.6 | -168.3 | -64.9 | -99.6 | 0 | 0 | 0 | 112.7 | R12 T13 V14 L15 V38 D42 N43 T44 H46 F129 T131 | R12-Y40 HydrophobicContact CG-CD1 3.71Å; R12-Y40 HydrophobicContact CG-CE1 4.48Å; R12-Y40 HydrophobicContact CG-CG 4.09Å; T13-Y40 CarbonylContact O-C 3.55Å; T13-Y40 VanDerWaalsContact O-CA 3.31Å; T13-Y40 WeakPolarHBondContact O-CA 3.43Å; V14-Y40 HydrophobicContact CG2-CD1 4.27Å; V14-Y40 HydrophobicContact CG2-CE1 4.31Å; L15-Y40 WeakPolarHBondContact CD1-O 3.36Å; V38-Y40 HydrophobicContact CB-CD2 4.42Å; V38-Y40 HydrophobicContact CB-CE2 3.83Å; V38-Y40 HydrophobicContact CG1-CD1 4.29Å; V38-Y40 HydrophobicContact CG1-CD2 3.91Å; V38-Y40 HydrophobicContact CG1-CE1 3.98Å; V38-Y40 HydrophobicContact CG1-CE2 3.52Å; V38-Y40 HydrophobicContact CG1-CG 4.31Å; V38-Y40 WeakPolarHBondContact O-CD2 3.44Å; Y40-D42 WeakPolarHBondContact CB-OD1 3.43Å; Y40-D42 PolarHBondContact O-N 3.41Å; Y40-D42 VanDerWaalsContact O-N 3.08Å; Y40-N43 PolarHBondContact O-N 3.01Å; Y40-T44 PolarHBondContact N-O 2.96Å; Y40-H46 HydrophobicContact CE2-CB 4.15Å; Y40-H46 AromaticContact CE2-CD2 3.78Å; Y40-F129 PolarHBondContact OH-O 2.98Å; Y40-T131 PolarHBondContact OH-N 2.88Å |
| 41 | S | 89 | Confident | 91.9 | Very high | 52 Ų | 52 | 42.9 Ų | 42.9 | 36% | 0.364 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -21.7 | -178.1 | 55.2 | 0 | 0 | 0 | 0 | 115.6 | T13 N43 | T13-S41 PolarHBondContact N-OG 2.88Å; T13-S41 PolarHBondContact O-N 3.07Å; T13-S41 WeakPolarHBondContact OG1-CB 3.08Å; S41-N43 VanDerWaalsContact C-N 3.29Å |
| 42 | D | 88.9 | Confident | 92.2 | Very high | 77 Ų | 77 | 43 Ų | 43 | 41% | 0.412 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 13.4 | 175.7 | 59.8 | -52.8 | 0 | 0 | 0 | 113.2 | R12 Y40 T44 | R12-D42 WeakPolarHBondContact CG-OD1 3.38Å; R12-D42 IonicContact CZ-OD1 2.7Å; R12-D42 IonicContact CZ-OD2 3.67Å; R12-D42 IonicContact NE-OD1 2.62Å; R12-D42 PolarHBondContact NE-OD1 2.89Å; R12-D42 IonicContact NE-OD2 3.72Å; R12-D42 IonicContact NH2-OD1 3.97Å; R12-D42 IonicContact NH2-OD2 2.74Å; Y40-D42 WeakPolarHBondContact CB-OD1 3.43Å; Y40-D42 PolarHBondContact O-N 3.41Å; Y40-D42 VanDerWaalsContact O-N 3.08Å; D42-T44 PolarHBondContact O-N 3.18Å; D42-T44 VanDerWaalsContact O-N 3.08Å; D42-T44 PolarHBondContact OD1-OG1 2.92Å; D42-T44 VanDerWaalsContact OD2-CG2 3.31Å; D42-T44 WeakPolarHBondContact OD2-CG2 3.21Å; D42-T44 PolarHBondContact OD2-OG1 2.84Å |
| 43 | N | 87.2 | Confident | 92.1 | Very high | 133 Ų | 133 | 43.4 Ų | 43.4 | 71% | 0.711 | 23% | 0.23 | S | C | * | . | S | Bend | trans | 59.9 | 8.8 | -177.6 | -60.5 | -45.6 | 0 | 0 | 0 | 115.4 | Y40 S41 | Y40-N43 PolarHBondContact O-N 3.01Å; S41-N43 VanDerWaalsContact C-N 3.29Å |
| 44 | T | 90.4 | Very high | 92.1 | Very high | 54 Ų | 54 | 48 Ų | 48 | 33% | 0.331 | 25% | 0.249 | S | C | . | . | trans | -84.9 | 143.7 | 171.9 | 59.2 | 0 | 0 | 0 | 0 | 109.9 | R12 Y40 D42 | R12-T44 PolarHBondContact NH2-OG1 3.29Å; Y40-T44 PolarHBondContact N-O 2.96Å; D42-T44 PolarHBondContact O-N 3.18Å; D42-T44 VanDerWaalsContact O-N 3.08Å; D42-T44 PolarHBondContact OD1-OG1 2.92Å; D42-T44 VanDerWaalsContact OD2-CG2 3.31Å; D42-T44 WeakPolarHBondContact OD2-CG2 3.21Å; D42-T44 PolarHBondContact OD2-OG1 2.84Å | ||
| 45 | S | 90.9 | Very high | 92 | Very high | 64 Ų | 64 | 47.8 Ų | 47.8 | 45% | 0.448 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 139.7 | 177 | -57.8 | 0 | 0 | 0 | 0 | 110 | N37 V38 T39 | N37-S45 WeakPolarHBondContact OD1-CB 3.42Å; V38-S45 CarbonylContact O-C 3.49Å; V38-S45 WeakPolarHBondContact O-CA 3.38Å; T39-S45 PolarHBondContact OG1-OG 3.11Å |
| 46 | H | 91 | Very high | 91.8 | Very high | 65 Ų | 65 | 50.3 Ų | 50.3 | 30% | 0.301 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 149 | 175.1 | -61 | -27.6 | 0 | 0 | 0 | 111.3 | R12 N37 V38 Y40 T131 | R12-H46 PolarHBondContact NH1-CD2 3.1Å; R12-H46 VanDerWaalsContact NH1-CD2 3.33Å; R12-H46 PolarHBondContact NH1-NE2 2.94Å; R12-H46 VanDerWaalsContact NH1-NE2 3.15Å; R12-H46 PolarHBondContact NH2-CD2 2.82Å; R12-H46 PolarHBondContact NH2-NE2 2.7Å; N37-H46 WeakPolarHBondContact CA-O 3.27Å; N37-H46 PolarHBondContact OD1-O 3.5Å; V38-H46 PolarHBondContact N-O 2.8Å; V38-H46 PolarHBondContact O-N 2.85Å; Y40-H46 HydrophobicContact CE2-CB 4.15Å; Y40-H46 AromaticContact CE2-CD2 3.78Å; H46-T131 HydrophobicContact CB-CG2 3.38Å; H46-T131 WeakPolarHBondContact CD2-CG2 3.4Å |
| 47 | I | 92.8 | Very high | 91.7 | Very high | 82 Ų | 82 | 53 Ų | 53 | 42% | 0.421 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 131.5 | 170.4 | -61.5 | 175.4 | 0 | 0 | 0 | 108.3 | V35 I36 Y49 | V35-I47 HydrophobicContact CG1-CG2 3.53Å; I36-I47 CarbonylContact O-C 3.41Å; I36-I47 WeakPolarHBondContact O-CA 3.49Å; I47-Y49 HydrophobicContact CG2-CE1 4.18Å; I47-Y49 HydrophobicContact CG2-CE2 4.03Å |
| 48 | I | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 156.3 | 170.1 | 69.1 | 174.5 | 0 | 0 | 0 | 110.5 | I36 V38 R50 F129 T131 D135 | I36-I48 HydrophobicContact CB-CD1 4.46Å; I36-I48 HydrophobicContact CB-CG1 3.76Å; I36-I48 HydrophobicContact CD1-CD1 4.35Å; I36-I48 HydrophobicContact CD1-CG1 4.2Å; I36-I48 HydrophobicContact CG1-CG1 4.45Å; I36-I48 HydrophobicContact CG2-CG1 4.32Å; I36-I48 PolarHBondContact N-O 3.27Å; I36-I48 PolarHBondContact O-N 3.17Å; V38-I48 HydrophobicContact CG2-CD1 3.73Å; V38-I48 HydrophobicContact CG2-CG1 3.99Å; I48-R50 HydrophobicContact CD1-CG 4.12Å; I48-R50 HydrophobicContact CG1-CG 4.39Å; I48-F129 HydrophobicContact CD1-CD1 4.06Å; I48-T131 HydrophobicContact CG2-CG2 3.7Å; I48-D135 WeakPolarHBondContact CA-OD1 3.34Å; I48-D135 HydrophobicContact CB-CB 4.33Å; I48-D135 HydrophobicContact CG2-CB 4.14Å |
| 49 | Y | 93.1 | Very high | 91.5 | Very high | 44 Ų | 44 | 51.8 Ų | 51.8 | 17% | 0.173 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 116.5 | -176.9 | -56.5 | -89 | 0 | 0 | 0 | 109.9 | E23 V33 Y34 V35 I47 D135 P138 | E23-Y49 WeakPolarHBondContact OE2-CD1 3.22Å; E23-Y49 WeakPolarHBondContact OE2-CE1 3.48Å; V33-Y49 HydrophobicContact CG2-CD1 3.92Å; V33-Y49 HydrophobicContact CG2-CG 4.46Å; Y34-Y49 WeakPolarHBondContact O-CA 3.23Å; V35-Y49 HydrophobicContact CB-CE1 4.46Å; V35-Y49 HydrophobicContact CG1-CE1 4.05Å; V35-Y49 HydrophobicContact CG2-CD1 4.1Å; V35-Y49 HydrophobicContact CG2-CE1 3.96Å; I47-Y49 HydrophobicContact CG2-CE1 4.18Å; I47-Y49 HydrophobicContact CG2-CE2 4.03Å; Y49-D135 HydrophobicContact CD2-CB 4.46Å; Y49-D135 PolarHBondContact N-OD1 2.83Å; Y49-P138 HydrophobicContact CE2-CB 4.11Å; Y49-P138 HydrophobicContact CE2-CG 4.21Å |
| 50 | R | 93.3 | Very high | 91.4 | Very high | 21 Ų | 21 | 54.7 Ų | 54.7 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 131.2 | -178.3 | -57 | -71.4 | 172.5 | -96.3 | 0.4 | 110.8 | Y34 I36 I48 F55 F128 E130 D135 | Y34-R50 WeakPolarHBondContact CD2-O 3.3Å; Y34-R50 PolarHBondContact N-O 3.31Å; Y34-R50 PolarHBondContact O-N 3.25Å; I36-R50 HydrophobicContact CD1-CB 3.85Å; I36-R50 HydrophobicContact CD1-CG 3.75Å; I48-R50 HydrophobicContact CD1-CG 4.12Å; I48-R50 HydrophobicContact CG1-CG 4.39Å; R50-F55 HydrophobicContact CB-CE2 3.98Å; R50-F55 HydrophobicContact CB-CZ 4.36Å; R50-F128 HydrophobicContact CB-CE2 4.3Å; R50-F128 HydrophobicContact CB-CZ 3.95Å; R50-F128 HydrophobicContact CG-CE1 4.26Å; R50-F128 HydrophobicContact CG-CE2 4.09Å; R50-F128 HydrophobicContact CG-CZ 3.75Å; R50-F128 PolarHBondContact NE-O 3.49Å; R50-F128 PolarHBondContact NH2-O 3.05Å; R50-E130 PolarHBondContact NH2-O 2.8Å; R50-D135 IonicContact CZ-OD1 3.81Å; R50-D135 IonicContact CZ-OD2 3.83Å; R50-D135 VanDerWaalsContact NH1-CG 3.26Å; R50-D135 IonicContact NH1-OD1 3.16Å; R50-D135 PolarHBondContact NH1-OD1 2.86Å; R50-D135 IonicContact NH1-OD2 3.74Å; R50-D135 PolarHBondContact NH1-OD2 2.84Å; R50-D135 IonicContact NH2-OD1 2.66Å; R50-D135 IonicContact NH2-OD2 2.82Å; R50-D135 PolarHBondContact NH2-OD2 3.21Å |
| 51 | R | 92 | Very high | 91.4 | Very high | 117 Ų | 117 | 58.5 Ų | 58.5 | 44% | 0.442 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 154.1 | 171.5 | -73.5 | -166.7 | -74.5 | 170.3 | -5.6 | 110.4 | H31 V33 S53 K54 | H31-R51 VanDerWaalsContact CD2-CD 3.44Å; H31-R51 WeakPolarHBondContact CD2-CD 3.49Å; V33-R51 HydrophobicContact CG1-CG 3.87Å; R51-S53 PolarHBondContact O-N 3.13Å; R51-K54 PolarHBondContact O-N 2.88Å |
| 52 | Y | 90.8 | Very high | 91.6 | Very high | 35 Ų | 35 | 56 Ų | 56 | 14% | 0.137 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -53.2 | -38.3 | 177.6 | -173.4 | -97.6 | 0 | 0 | 0 | 113.6 | Y34 K54 F55 F56 P84 R101 I105 | Y34-Y52 HydrophobicContact CE2-CD2 4.24Å; Y52-K54 VanDerWaalsContact C-N 3.28Å; Y52-K54 PolarHBondContact O-N 2.82Å; Y52-F55 PolarHBondContact O-N 2.95Å; Y52-F56 PolarHBondContact O-N 3.07Å; Y52-P84 PolarHBondContact OH-O 3.01Å; Y52-R101 VanDerWaalsContact CG-NH1 3.34Å; Y52-I105 HydrophobicContact CD2-CD1 3.74Å; Y52-I105 HydrophobicContact CE2-CD1 3.93Å; Y52-I105 HydrophobicContact CE2-CG1 4.49Å |
| 53 | S | 89.1 | Confident | 91.8 | Very high | 50 Ų | 50 | 53.2 Ų | 53.2 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.7 | -39.3 | 176.2 | 43.8 | 0 | 0 | 0 | 0 | 112.5 | R51 F55 F56 D57 | R51-S53 PolarHBondContact O-N 3.13Å; S53-F55 VanDerWaalsContact C-N 3.25Å; S53-F55 PolarHBondContact O-N 2.88Å; S53-F56 WeakPolarHBondContact O-CA 3.49Å; S53-F56 WeakPolarHBondContact O-CB 3.08Å; S53-F56 PolarHBondContact O-N 3.23Å; S53-D57 VanDerWaalsContact O-CG 3.31Å; S53-D57 PolarHBondContact O-N 3.33Å |
| 54 | K | 91.8 | Very high | 92 | Very high | 103 Ų | 103 | 53.2 Ų | 53.2 | 45% | 0.448 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.6 | -22.3 | -179.4 | -66.9 | -42.6 | -160.2 | -176.1 | 0 | 114.4 | R51 Y52 D57 L58 F128 | R51-K54 PolarHBondContact O-N 2.88Å; Y52-K54 VanDerWaalsContact C-N 3.28Å; Y52-K54 PolarHBondContact O-N 2.82Å; K54-D57 WeakPolarHBondContact CD-OD2 3.43Å; K54-D57 WeakPolarHBondContact CE-OD2 3.33Å; K54-D57 IonicContact NZ-OD2 3.14Å; K54-D57 PolarHBondContact NZ-OD2 3.47Å; K54-L58 WeakPolarHBondContact O-CB 3.22Å; K54-L58 PolarHBondContact O-N 3.13Å; K54-F128 HydrophobicContact CB-CE2 3.98Å; K54-F128 WeakPolarHBondContact O-CE2 3.31Å |
| 55 | F | 92.9 | Very high | 92 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -75.3 | -32.9 | 168.3 | -66.7 | -88 | 0 | 0 | 0 | 112.5 | Y34 I36 R50 Y52 S53 Q59 L83 I105 Y108 F128 | Y34-F55 AromaticContact CD2-CE2 3.84Å; Y34-F55 HydrophobicContact CD2-CE2 3.84Å; Y34-F55 HydrophobicContact CG-CE2 4.35Å; I36-F55 HydrophobicContact CD1-CE1 4.39Å; I36-F55 HydrophobicContact CD1-CE2 4.37Å; I36-F55 HydrophobicContact CD1-CZ 3.6Å; R50-F55 HydrophobicContact CB-CE2 3.98Å; R50-F55 HydrophobicContact CB-CZ 4.36Å; Y52-F55 PolarHBondContact O-N 2.95Å; S53-F55 VanDerWaalsContact C-N 3.25Å; S53-F55 PolarHBondContact O-N 2.88Å; F55-Q59 PolarHBondContact O-N 2.95Å; F55-L83 HydrophobicContact CB-CD1 3.64Å; F55-L83 HydrophobicContact CB-CD2 4.05Å; F55-L83 HydrophobicContact CG-CD1 4.4Å; F55-I105 HydrophobicContact CD1-CG2 4.14Å; F55-I105 HydrophobicContact CD2-CG2 4.43Å; F55-I105 HydrophobicContact CE1-CG2 3.57Å; F55-I105 HydrophobicContact CE2-CG2 3.89Å; F55-I105 HydrophobicContact CZ-CG2 3.39Å; F55-Y108 HydrophobicContact CD1-CD1 4.21Å; F55-Y108 HydrophobicContact CD1-CE1 4.24Å; F55-F128 HydrophobicContact CD1-CE1 4.14Å; F55-F128 HydrophobicContact CD1-CE2 4.39Å; F55-F128 AromaticContact CD1-CZ 3.58Å; F55-F128 HydrophobicContact CD1-CZ 3.58Å; F55-F128 HydrophobicContact CD2-CZ 4.25Å; F55-F128 AromaticContact CE1-CE1 3.78Å; F55-F128 HydrophobicContact CE1-CE1 3.78Å; F55-F128 AromaticContact CE1-CZ 3.47Å; F55-F128 HydrophobicContact CE1-CZ 3.47Å; F55-F128 VanDerWaalsContact CE1-CZ 3.47Å; F55-F128 HydrophobicContact CE2-CZ 4.17Å; F55-F128 HydrophobicContact CG-CE2 4.5Å; F55-F128 AromaticContact CG-CZ 3.99Å; F55-F128 HydrophobicContact CG-CZ 3.99Å; F55-F128 HydrophobicContact CZ-CE1 4.32Å; F55-F128 AromaticContact CZ-CZ 3.82Å; F55-F128 HydrophobicContact CZ-CZ 3.82Å |
| 56 | F | 91.2 | Very high | 92.1 | Very high | 70 Ų | 70 | 53.5 Ų | 53.5 | 31% | 0.307 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.7 | -46 | 175.1 | -177.6 | -93.2 | 0 | 0 | 0 | 110.8 | Y52 S53 L58 Q59 M60 L83 | Y52-F56 PolarHBondContact O-N 3.07Å; S53-F56 WeakPolarHBondContact O-CA 3.49Å; S53-F56 WeakPolarHBondContact O-CB 3.08Å; S53-F56 PolarHBondContact O-N 3.23Å; F56-L58 PolarHBondContact O-N 2.87Å; F56-Q59 PolarHBondContact O-N 3.22Å; F56-M60 HydrophobicContact CD1-CG 4.32Å; F56-M60 HydrophobicContact CE1-CG 3.92Å; F56-M60 HydrophobicContact CZ-CG 4.11Å; F56-M60 HydrophobicContact CZ-SD 4.18Å; F56-M60 WeakPolarHBondContact O-CG 3.34Å; F56-M60 PolarHBondContact O-N 2.72Å; F56-L83 HydrophobicContact CB-CD2 4.02Å; F56-L83 HydrophobicContact CD2-CD2 4.42Å |
| 57 | D | 91.5 | Very high | 92.2 | Very high | 58 Ų | 58 | 52.2 Ų | 52.2 | 31% | 0.31 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -52.2 | -53.9 | 172.5 | -59.3 | 2.2 | 0 | 0 | 0 | 110.4 | S53 K54 Q59 M60 Q61 | S53-D57 VanDerWaalsContact O-CG 3.31Å; S53-D57 PolarHBondContact O-N 3.33Å; K54-D57 WeakPolarHBondContact CD-OD2 3.43Å; K54-D57 WeakPolarHBondContact CE-OD2 3.33Å; K54-D57 IonicContact NZ-OD2 3.14Å; K54-D57 PolarHBondContact NZ-OD2 3.47Å; D57-Q59 PolarHBondContact O-N 3.05Å; D57-M60 PolarHBondContact O-N 3.27Å; D57-M60 VanDerWaalsContact O-N 3.11Å; D57-Q61 WeakPolarHBondContact O-CG 3.46Å; D57-Q61 PolarHBondContact O-N 2.72Å |
| 58 | L | 93.8 | Very high | 92 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.7 | -45.1 | 177.7 | 175.9 | 66.4 | 0 | 0 | 0 | 112.5 | K54 F56 M60 Q61 L62 L112 E124 F128 | K54-L58 WeakPolarHBondContact O-CB 3.22Å; K54-L58 PolarHBondContact O-N 3.13Å; F56-L58 PolarHBondContact O-N 2.87Å; L58-M60 VanDerWaalsContact C-N 3.31Å; L58-M60 PolarHBondContact O-N 2.79Å; L58-Q61 PolarHBondContact O-N 2.91Å; L58-L62 HydrophobicContact CD1-CD1 4.01Å; L58-L62 HydrophobicContact CD1-CG 4.18Å; L58-L62 HydrophobicContact CD2-CD1 4.49Å; L58-L62 HydrophobicContact CG-CD1 3.85Å; L58-L62 HydrophobicContact CG-CG 4.42Å; L58-L62 WeakPolarHBondContact O-CB 3.35Å; L58-L62 VanDerWaalsContact O-CG 3.29Å; L58-L62 WeakPolarHBondContact O-CG 3.35Å; L58-L62 PolarHBondContact O-N 3.39Å; L58-L112 HydrophobicContact CD2-CD2 3.77Å; L58-E124 HydrophobicContact CD1-CB 3.96Å; L58-F128 HydrophobicContact CB-CD2 4.18Å; L58-F128 HydrophobicContact CD1-CB 4.12Å; L58-F128 HydrophobicContact CD2-CB 4.05Å; L58-F128 HydrophobicContact CD2-CD1 3.83Å; L58-F128 HydrophobicContact CD2-CD2 3.87Å; L58-F128 HydrophobicContact CD2-CE1 4.25Å; L58-F128 HydrophobicContact CD2-CE2 4.28Å; L58-F128 HydrophobicContact CD2-CG 3.63Å; L58-F128 HydrophobicContact CD2-CZ 4.46Å; L58-F128 HydrophobicContact CG-CD2 4.48Å; L58-F128 HydrophobicContact CG-CG 4.49Å |
| 59 | Q | 92.3 | Very high | 91.9 | Very high | 22 Ų | 22 | 53.7 Ų | 53.7 | 10% | 0.103 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 178 | -176.8 | 171.6 | -90 | 0 | 0 | 111.5 | F55 F56 D57 L62 L63 P81 | F55-Q59 PolarHBondContact O-N 2.95Å; F56-Q59 PolarHBondContact O-N 3.22Å; D57-Q59 PolarHBondContact O-N 3.05Å; Q59-L62 PolarHBondContact O-N 2.84Å; Q59-L63 HydrophobicContact CG-CD1 3.84Å; Q59-L63 HydrophobicContact CG-CG 4.09Å; Q59-L63 WeakPolarHBondContact O-CB 3.39Å; Q59-L63 VanDerWaalsContact O-CG 3.27Å; Q59-L63 WeakPolarHBondContact O-CG 3.4Å; Q59-L63 PolarHBondContact O-N 2.87Å; Q59-P81 PolarHBondContact OE1-O 2.86Å |
| 60 | M | 91.3 | Very high | 91.8 | Very high | 95 Ų | 95 | 51.7 Ų | 51.7 | 47% | 0.468 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.9 | -43.7 | 178.2 | -66.1 | -50.7 | -54.3 | 0 | 0 | 111.4 | F56 D57 L58 L62 L63 D64 | F56-M60 HydrophobicContact CD1-CG 4.32Å; F56-M60 HydrophobicContact CE1-CG 3.92Å; F56-M60 HydrophobicContact CZ-CG 4.11Å; F56-M60 HydrophobicContact CZ-SD 4.18Å; F56-M60 WeakPolarHBondContact O-CG 3.34Å; F56-M60 PolarHBondContact O-N 2.72Å; D57-M60 PolarHBondContact O-N 3.27Å; D57-M60 VanDerWaalsContact O-N 3.11Å; L58-M60 VanDerWaalsContact C-N 3.31Å; L58-M60 PolarHBondContact O-N 2.79Å; M60-L62 VanDerWaalsContact C-N 3.31Å; M60-L62 PolarHBondContact O-N 3.28Å; M60-L63 PolarHBondContact O-N 2.92Å; M60-D64 WeakPolarHBondContact O-CB 3.33Å; M60-D64 PolarHBondContact O-N 2.59Å |
| 61 | Q | 92.9 | Very high | 91.6 | Very high | 85 Ų | 85 | 51.4 Ų | 51.4 | 40% | 0.397 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.2 | -39.3 | 174.3 | -64.7 | 177.3 | -81.4 | 0 | 0 | 112.5 | D57 L58 K65 E124 | D57-Q61 WeakPolarHBondContact O-CG 3.46Å; D57-Q61 PolarHBondContact O-N 2.72Å; L58-Q61 PolarHBondContact O-N 2.91Å; Q61-K65 VanDerWaalsContact O-CB 3.26Å; Q61-K65 WeakPolarHBondContact O-CB 3.38Å; Q61-K65 PolarHBondContact O-N 3.04Å; Q61-E124 HydrophobicContact CB-CG 4.3Å; Q61-E124 PolarHBondContact NE2-OE2 2.89Å |
| 62 | L | 92.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.2 | -41.2 | 177.4 | -75.7 | 170 | 0 | 0 | 0 | 112.9 | L58 Q59 M60 D64 F66 I80 L112 I119 V125 | L58-L62 HydrophobicContact CD1-CD1 4.01Å; L58-L62 HydrophobicContact CD1-CG 4.18Å; L58-L62 HydrophobicContact CD2-CD1 4.49Å; L58-L62 HydrophobicContact CG-CD1 3.85Å; L58-L62 HydrophobicContact CG-CG 4.42Å; L58-L62 WeakPolarHBondContact O-CB 3.35Å; L58-L62 VanDerWaalsContact O-CG 3.29Å; L58-L62 WeakPolarHBondContact O-CG 3.35Å; L58-L62 PolarHBondContact O-N 3.39Å; Q59-L62 PolarHBondContact O-N 2.84Å; M60-L62 VanDerWaalsContact C-N 3.31Å; M60-L62 PolarHBondContact O-N 3.28Å; L62-D64 VanDerWaalsContact C-N 3.33Å; L62-F66 HydrophobicContact CD2-CD2 4.06Å; L62-F66 HydrophobicContact CD2-CE2 4.06Å; L62-F66 WeakPolarHBondContact O-CB 3.3Å; L62-F66 PolarHBondContact O-N 2.79Å; L62-I80 HydrophobicContact CB-CD1 4.37Å; L62-L112 HydrophobicContact CD1-CD1 3.53Å; L62-L112 HydrophobicContact CD1-CD2 4.48Å; L62-I119 HydrophobicContact CD2-CG2 3.82Å; L62-V125 HydrophobicContact CD1-CG2 4.39Å; L62-V125 HydrophobicContact CD2-CG2 3.86Å |
| 63 | L | 91.8 | Very high | 90.7 | Very high | 19 Ų | 19 | 57.1 Ų | 57.1 | 10% | 0.099 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.2 | -32 | 177.6 | -68.4 | 175.2 | 0 | 0 | 0 | 112.1 | Q59 M60 P67 Q72 I80 | Q59-L63 HydrophobicContact CG-CD1 3.84Å; Q59-L63 HydrophobicContact CG-CG 4.09Å; Q59-L63 WeakPolarHBondContact O-CB 3.39Å; Q59-L63 VanDerWaalsContact O-CG 3.27Å; Q59-L63 WeakPolarHBondContact O-CG 3.4Å; Q59-L63 PolarHBondContact O-N 2.87Å; M60-L63 PolarHBondContact O-N 2.92Å; L63-P67 WeakPolarHBondContact O-CA 3.45Å; L63-Q72 PolarHBondContact O-NE2 3.34Å; L63-I80 HydrophobicContact CD2-CG2 4.22Å |
| 64 | D | 91.9 | Very high | 90.5 | Very high | 133 Ų | 133 | 57.6 Ų | 57.6 | 71% | 0.711 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -72.6 | -48.2 | 175 | -174.8 | 65.5 | 0 | 0 | 0 | 112.1 | M60 L62 F66 | M60-D64 WeakPolarHBondContact O-CB 3.33Å; M60-D64 PolarHBondContact O-N 2.59Å; L62-D64 VanDerWaalsContact C-N 3.33Å; D64-F66 PolarHBondContact O-N 3.36Å |
| 65 | K | 91.4 | Very high | 90.4 | Very high | 95 Ų | 95 | 57.9 Ų | 57.9 | 41% | 0.413 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -70.2 | -29.1 | 179.5 | -175.1 | 165.4 | -73.8 | -174.7 | 0 | 113.7 | Q61 E124 | Q61-K65 VanDerWaalsContact O-CB 3.26Å; Q61-K65 WeakPolarHBondContact O-CB 3.38Å; Q61-K65 PolarHBondContact O-N 3.04Å; K65-E124 HydrophobicContact CD-CG 4.39Å; K65-E124 WeakPolarHBondContact CE-OE1 3.5Å; K65-E124 IonicContact NZ-OE1 2.68Å; K65-E124 PolarHBondContact NZ-OE1 3.1Å |
| 66 | F | 93.3 | Very high | 90.2 | Very high | 28 Ų | 28 | 68 Ų | 68 | 12% | 0.123 | 34% | 0.337 | C | S | . | . | trans | -130.3 | 68.6 | -176.3 | -57.4 | -75.4 | 0 | 0 | 0 | 111.4 | L62 D64 I68 E69 G70 I80 H118 I119 | L62-F66 HydrophobicContact CD2-CD2 4.06Å; L62-F66 HydrophobicContact CD2-CE2 4.06Å; L62-F66 WeakPolarHBondContact O-CB 3.3Å; L62-F66 PolarHBondContact O-N 2.79Å; D64-F66 PolarHBondContact O-N 3.36Å; F66-I68 VanDerWaalsContact C-N 3.31Å; F66-I68 PolarHBondContact O-N 3.15Å; F66-E69 HydrophobicContact CB-CB 4.17Å; F66-E69 PolarHBondContact O-N 3.3Å; F66-G70 PolarHBondContact O-N 2.71Å; F66-I80 HydrophobicContact CB-CD1 3.79Å; F66-H118 VanDerWaalsContact CZ-O 3.24Å; F66-H118 WeakPolarHBondContact CZ-O 3.33Å; F66-I119 HydrophobicContact CD1-CG1 4.25Å; F66-I119 HydrophobicContact CD2-CG1 4.42Å; F66-I119 HydrophobicContact CD2-CG2 4.08Å; F66-I119 HydrophobicContact CE1-CG1 4.26Å; F66-I119 HydrophobicContact CE2-CB 4.41Å; F66-I119 HydrophobicContact CE2-CG1 4.42Å; F66-I119 HydrophobicContact CE2-CG2 3.97Å; F66-I119 HydrophobicContact CG-CG1 4.33Å; F66-I119 HydrophobicContact CZ-CG1 4.35Å | ||
| 67 | P | 91.4 | Very high | 90.1 | Very high | 39 Ų | 39 | 69.9 Ų | 69.9 | 25% | 0.253 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -20.2 | -170.8 | 28.9 | -36 | 0 | 0 | 0 | 113.9 | L63 G71 Q72 | L63-P67 WeakPolarHBondContact O-CA 3.45Å; P67-G71 PolarHBondContact O-N 2.75Å; P67-Q72 HydrophobicContact CB-CB 4.29Å; P67-Q72 HydrophobicContact CB-CG 4.34Å; P67-Q72 WeakPolarHBondContact O-CB 3.35Å; P67-Q72 PolarHBondContact O-N 3.06Å |
| 68 | I | 90.1 | Very high | 90.2 | Very high | 67 Ų | 67 | 70.2 Ų | 70.2 | 34% | 0.344 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -50.2 | 176.1 | -55.6 | 175.7 | 0 | 0 | 0 | 109 | F66 G70 G71 K73 K77 | F66-I68 VanDerWaalsContact C-N 3.31Å; F66-I68 PolarHBondContact O-N 3.15Å; I68-G70 VanDerWaalsContact C-N 3.27Å; I68-G70 PolarHBondContact O-N 2.89Å; I68-G71 WeakPolarHBondContact O-CA 3.41Å; I68-G71 PolarHBondContact O-N 3.45Å; I68-K73 HydrophobicContact CG1-CD 4.19Å; I68-K77 HydrophobicContact CG2-CB 4.19Å; I68-K77 HydrophobicContact CG2-CD 3.91Å |
| 69 | E | 92.1 | Very high | 90.2 | Very high | 46 Ų | 46 | 73.8 Ų | 73.8 | 22% | 0.215 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -21.8 | -179.3 | -58.4 | 76 | -164.8 | 0 | 0 | 112 | F66 G71 R78 I79 I80 I119 | F66-E69 HydrophobicContact CB-CB 4.17Å; F66-E69 PolarHBondContact O-N 3.3Å; E69-G71 VanDerWaalsContact C-N 3.32Å; E69-R78 CarbonylContact O-C 3.55Å; E69-R78 WeakPolarHBondContact O-CA 3.24Å; E69-I79 HydrophobicContact CB-CD1 4.13Å; E69-I79 HydrophobicContact CB-CG1 3.72Å; E69-I79 HydrophobicContact CG-CD1 4.04Å; E69-I79 HydrophobicContact CG-CG1 4.18Å; E69-I79 PolarHBondContact O-N 3.47Å; E69-I80 HydrophobicContact CB-CD1 4.14Å; E69-I80 HydrophobicContact CB-CG1 4.2Å; E69-I80 WeakPolarHBondContact O-CG1 3.36Å; E69-I80 PolarHBondContact O-N 2.78Å; E69-I119 HydrophobicContact CB-CD1 3.87Å; E69-I119 HydrophobicContact CG-CD1 4.06Å |
| 70 | G | 90.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -12 | 166.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | F66 I68 R78 | F66-G70 PolarHBondContact O-N 2.71Å; I68-G70 VanDerWaalsContact C-N 3.27Å; I68-G70 PolarHBondContact O-N 2.89Å; G70-R78 WeakPolarHBondContact O-CD 3.36Å; G70-R78 PolarHBondContact O-NH1 2.89Å |
| 71 | G | 89.2 | Confident | 90.3 | Very high | 15 Ų | 15 | 69.3 Ų | 69.3 | 16% | 0.155 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 18.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | P67 I68 E69 D74 | P67-G71 PolarHBondContact O-N 2.75Å; I68-G71 WeakPolarHBondContact O-CA 3.41Å; I68-G71 PolarHBondContact O-N 3.45Å; E69-G71 VanDerWaalsContact C-N 3.32Å; G71-D74 WeakPolarHBondContact CA-O 3.48Å |
| 72 | Q | 85.6 | Confident | 90.2 | Very high | 124 Ų | 124 | 72.7 Ų | 72.7 | 58% | 0.579 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -72 | -32.5 | 178.3 | -59.3 | -176.7 | -1.4 | 0 | 0 | 112.4 | L63 P67 | L63-Q72 PolarHBondContact O-NE2 3.34Å; P67-Q72 HydrophobicContact CB-CB 4.29Å; P67-Q72 HydrophobicContact CB-CG 4.34Å; P67-Q72 WeakPolarHBondContact O-CB 3.35Å; P67-Q72 PolarHBondContact O-N 3.06Å |
| 73 | K | 79.2 | Confident | 90.1 | Very high | 149 Ų | 149 | 73.3 Ų | 73.3 | 65% | 0.648 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -87.9 | -49.7 | 174.1 | -60.5 | -162.7 | -176 | -175.6 | 0 | 112.1 | I68 | I68-K73 HydrophobicContact CG1-CD 4.19Š|
| 74 | D | 84.7 | Confident | 89.7 | Confident | 60 Ų | 60 | 73.6 Ų | 73.6 | 32% | 0.321 | 36% | 0.36 | S | S | . | . | trans | -131.8 | 111.4 | -178.3 | -65.6 | -87.2 | 0 | 0 | 0 | 109.8 | G71 K76 K77 | G71-D74 WeakPolarHBondContact CA-O 3.48Å; D74-K76 PolarHBondContact O-N 3.21Å; D74-K76 VanDerWaalsContact O-N 3.11Å; D74-K77 HydrophobicContact CB-CB 3.95Å; D74-K77 HydrophobicContact CB-CD 3.77Å; D74-K77 HydrophobicContact CB-CG 3.7Å; D74-K77 PolarHBondContact O-N 3.21Å; D74-K77 IonicContact OD1-NZ 2.79Å; D74-K77 WeakPolarHBondContact OD2-CD 3.31Å; D74-K77 VanDerWaalsContact OD2-CE 3.29Å; D74-K77 WeakPolarHBondContact OD2-CE 3.45Å; D74-K77 IonicContact OD2-NZ 3.84Å; D74-K77 PolarHBondContact OD2-NZ 3.07Å | ||
| 75 | P | 88.4 | Confident | 88.9 | Confident | 108 Ų | 108 | 69.9 Ų | 69.9 | 70% | 0.701 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -55.6 | -32.4 | 175.6 | -28.2 | 36 | 0 | 0 | 0 | 113 | K77 R78 | P75-K77 VanDerWaalsContact C-N 3.28Å; P75-K77 PolarHBondContact O-N 3.39Å; P75-R78 WeakPolarHBondContact O-CB 3.47Å; P75-R78 PolarHBondContact O-N 3.41Å |
| 76 | K | 89.9 | Confident | 87.8 | Confident | 212 Ų | 212 | 71.8 Ų | 71.8 | 92% | 0.922 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -68.4 | -18.4 | 176.8 | -64.8 | 177.4 | -178.8 | 172 | 0 | 114.2 | D74 | D74-K76 PolarHBondContact O-N 3.21Å; D74-K76 VanDerWaalsContact O-N 3.11Å |
| 77 | K | 88.6 | Confident | 86.4 | Confident | 111 Ų | 111 | 73.4 Ų | 73.4 | 48% | 0.483 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -97.1 | 1.8 | 177 | -61.6 | 179.2 | -168.9 | 152.8 | 0 | 112.7 | I68 D74 P75 I79 | I68-K77 HydrophobicContact CG2-CB 4.19Å; I68-K77 HydrophobicContact CG2-CD 3.91Å; D74-K77 HydrophobicContact CB-CB 3.95Å; D74-K77 HydrophobicContact CB-CD 3.77Å; D74-K77 HydrophobicContact CB-CG 3.7Å; D74-K77 PolarHBondContact O-N 3.21Å; D74-K77 IonicContact OD1-NZ 2.79Å; D74-K77 WeakPolarHBondContact OD2-CD 3.31Å; D74-K77 VanDerWaalsContact OD2-CE 3.29Å; D74-K77 WeakPolarHBondContact OD2-CE 3.45Å; D74-K77 IonicContact OD2-NZ 3.84Å; D74-K77 PolarHBondContact OD2-NZ 3.07Å; P75-K77 VanDerWaalsContact C-N 3.28Å; P75-K77 PolarHBondContact O-N 3.39Å; K77-I79 PolarHBondContact O-N 3.49Å |
| 78 | R | 94.2 | Very high | 84.6 | Confident | 64 Ų | 64 | 79.5 Ų | 79.5 | 24% | 0.242 | 40% | 0.401 | C | S | . | . | trans | -66.2 | 118.5 | 178 | -171.1 | 172.8 | 177.9 | 132.1 | -5.9 | 111.3 | E69 G70 P75 I80 | E69-R78 CarbonylContact O-C 3.55Å; E69-R78 WeakPolarHBondContact O-CA 3.24Å; G70-R78 WeakPolarHBondContact O-CD 3.36Å; G70-R78 PolarHBondContact O-NH1 2.89Å; P75-R78 WeakPolarHBondContact O-CB 3.47Å; P75-R78 PolarHBondContact O-N 3.41Å; R78-I80 PolarHBondContact NE-O 3.01Å; R78-I80 PolarHBondContact NH2-O 3.12Å | ||
| 79 | I | 93.6 | Very high | 82.6 | Confident | 77 Ų | 77 | 81 Ų | 81 | 40% | 0.395 | 41% | 0.405 | S | S | . | . | trans | -116.3 | -20.4 | 169.7 | 59.6 | 173.5 | 0 | 0 | 0 | 112.4 | E69 K77 L115 P116 I119 | E69-I79 HydrophobicContact CB-CD1 4.13Å; E69-I79 HydrophobicContact CB-CG1 3.72Å; E69-I79 HydrophobicContact CG-CD1 4.04Å; E69-I79 HydrophobicContact CG-CG1 4.18Å; E69-I79 PolarHBondContact O-N 3.47Å; K77-I79 PolarHBondContact O-N 3.49Å; I79-L115 HydrophobicContact CB-CD2 4.45Å; I79-L115 VanDerWaalsContact O-CD2 3.29Å; I79-L115 WeakPolarHBondContact O-CD2 3.35Å; I79-P116 HydrophobicContact CD1-CG 3.82Å; I79-I119 HydrophobicContact CD1-CD1 3.94Å; I79-I119 HydrophobicContact CG1-CD1 4.27Å | ||
| 80 | I | 93.2 | Very high | 80.3 | Confident | 1 Ų | 1 | 88.9 Ų | 88.9 | 1% | 0.005 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -67 | 122.1 | 177.9 | -65.9 | 175.3 | 0 | 0 | 0 | 109.3 | L62 L63 F66 E69 R78 L115 I119 | L62-I80 HydrophobicContact CB-CD1 4.37Å; L63-I80 HydrophobicContact CD2-CG2 4.22Å; F66-I80 HydrophobicContact CB-CD1 3.79Å; E69-I80 HydrophobicContact CB-CD1 4.14Å; E69-I80 HydrophobicContact CB-CG1 4.2Å; E69-I80 WeakPolarHBondContact O-CG1 3.36Å; E69-I80 PolarHBondContact O-N 2.78Å; R78-I80 PolarHBondContact NE-O 3.01Å; R78-I80 PolarHBondContact NH2-O 3.12Å; I80-L115 HydrophobicContact CG1-CD1 4.21Å; I80-I119 HydrophobicContact CD1-CD1 4.4Å; I80-I119 HydrophobicContact CG1-CD1 4.1Å |
| 81 | P | 93 | Very high | 78.3 | Confident | 21 Ų | 21 | 95.8 Ų | 95.8 | 14% | 0.136 | 46% | 0.459 | C | S | . | . | trans | -62.8 | 156 | -174.2 | 26.5 | -35.2 | 0 | 0 | 0 | 111.5 | Q59 Y108 A111 | Q59-P81 PolarHBondContact OE1-O 2.86Å; P81-Y108 HydrophobicContact CB-CD2 4.02Å; P81-Y108 HydrophobicContact CB-CE2 4.32Å; P81-Y108 HydrophobicContact CG-CD2 3.85Å; P81-Y108 HydrophobicContact CG-CE2 3.82Å; P81-A111 HydrophobicContact CB-CB 3.87Å; P81-A111 HydrophobicContact CG-CB 3.93Å | ||
| 82 | F | 90.1 | Very high | 76.4 | Confident | 156 Ų | 156 | 99.5 Ų | 99.5 | 68% | 0.684 | 48% | 0.482 | S | S | * | . | trans | -83.8 | 115.1 | 172.7 | -65.9 | -96 | 0 | 0 | 0 | 109.5 | ||||
| 83 | L | 90.8 | Very high | 75.4 | Confident | 13 Ų | 13 | 97.7 Ų | 97.7 | 7% | 0.068 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 142.3 | 161 | -172 | 71.3 | 0 | 0 | 0 | 108.6 | F55 F56 Y108 | F55-L83 HydrophobicContact CB-CD1 3.64Å; F55-L83 HydrophobicContact CB-CD2 4.05Å; F55-L83 HydrophobicContact CG-CD1 4.4Å; F56-L83 HydrophobicContact CB-CD2 4.02Å; F56-L83 HydrophobicContact CD2-CD2 4.42Å; L83-Y108 HydrophobicContact CB-CD2 4.11Å; L83-Y108 HydrophobicContact CB-CE2 3.86Å; L83-Y108 HydrophobicContact CD1-CD1 4.06Å; L83-Y108 HydrophobicContact CD1-CD2 4.12Å; L83-Y108 HydrophobicContact CD1-CE1 4.17Å; L83-Y108 HydrophobicContact CD1-CE2 4.22Å; L83-Y108 HydrophobicContact CD1-CG 4.05Å |
| 84 | P | 83.8 | Confident | 75.3 | Confident | 25 Ų | 25 | 94.7 Ų | 94.7 | 16% | 0.162 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 152.3 | 178.4 | -30.5 | 38.3 | 0 | 0 | 0 | 112.9 | Y52 F104 I105 | Y52-P84 PolarHBondContact OH-O 3.01Å; P84-F104 HydrophobicContact CB-CB 4.49Å; P84-F104 HydrophobicContact CG-CB 3.46Å; P84-F104 VanDerWaalsContact CG-CB 3.46Å; P84-F104 HydrophobicContact CG-CG 4.41Å; P84-I105 HydrophobicContact CG-CG1 4.48Å |
| 85 | G | 73.8 | Confident | 75.1 | Confident | 56 Ų | 56 | 97.5 Ų | 97.5 | 58% | 0.577 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 153 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I87 | G85-I87 WeakPolarHBondContact O-CG1 3.3Å; G85-I87 PolarHBondContact O-N 2.61Å |
| 86 | K | 68.4 | Low | 74.7 | Confident | 134 Ų | 134 | 95.8 Ų | 95.8 | 58% | 0.583 | 46% | 0.459 | S | S | * | . | trans | -65.7 | 84.2 | 168.6 | -71.3 | -177.9 | -179.1 | 177 | 0 | 109.1 | L88 | K86-L88 PolarHBondContact O-N 2.72Š| ||
| 87 | I | 64.3 | Low | 74.4 | Confident | 63 Ų | 63 | 86.5 Ų | 86.5 | 32% | 0.323 | 42% | 0.42 | S | S | . | . | trans | -64.7 | 107.9 | 179.8 | -32.5 | 172.1 | 0 | 0 | 0 | 109.5 | G85 F89 R101 | G85-I87 WeakPolarHBondContact O-CG1 3.3Å; G85-I87 PolarHBondContact O-N 2.61Å; I87-F89 HydrophobicContact CB-CD2 4.21Å; I87-F89 HydrophobicContact CB-CE2 4.12Å; I87-F89 HydrophobicContact CG2-CD2 3.68Å; I87-F89 HydrophobicContact CG2-CE2 3.37Å; I87-F89 HydrophobicContact CG2-CZ 4.23Å; I87-F89 PolarHBondContact O-N 2.77Å; I87-R101 HydrophobicContact CD1-CG 3.86Å; I87-R101 PolarHBondContact O-NH2 3.05Å; I87-R101 VanDerWaalsContact O-NH2 3.16Å | ||
| 88 | L | 53.2 | Low | 74.3 | Confident | 167 Ų | 167 | 81.5 Ų | 81.5 | 87% | 0.874 | 40% | 0.399 | S | S | * | . | trans | -85.1 | 94.2 | 178.1 | -63.1 | 175.1 | 0 | 0 | 0 | 109.9 | K86 | K86-L88 PolarHBondContact O-N 2.72Š| ||
| 89 | F | 49.7 | Very low | 73.9 | Confident | 97 Ų | 97 | 82 Ų | 82 | 43% | 0.425 | 41% | 0.405 | S | S | . | . | trans | -96.9 | 146.8 | 165 | -74.4 | -89.3 | 0 | 0 | 0 | 109.5 | I87 H93 V97 | I87-F89 HydrophobicContact CB-CD2 4.21Å; I87-F89 HydrophobicContact CB-CE2 4.12Å; I87-F89 HydrophobicContact CG2-CD2 3.68Å; I87-F89 HydrophobicContact CG2-CE2 3.37Å; I87-F89 HydrophobicContact CG2-CZ 4.23Å; I87-F89 PolarHBondContact O-N 2.77Å; F89-H93 HydrophobicContact CB-CB 4.38Å; F89-V97 HydrophobicContact CB-CG2 4.07Å; F89-V97 HydrophobicContact CD2-CB 4.47Å; F89-V97 HydrophobicContact CD2-CG2 3.34Å; F89-V97 HydrophobicContact CE2-CG2 3.97Å; F89-V97 HydrophobicContact CG-CG2 3.99Å | ||
| 90 | R | 43.7 | Very low | 73.6 | Confident | 213 Ų | 213 | 84.2 Ų | 84.2 | 80% | 0.804 | 41% | 0.412 | S | S | * | . | trans | -60.1 | 158.1 | 169.3 | -70 | -156.4 | -166 | -134 | 10.9 | 110.9 | S92 | R90-S92 PolarHBondContact O-N 3.42Š| ||
| 91 | R | 47.6 | Very low | 73.4 | Confident | 145 Ų | 145 | 85.3 Ų | 85.3 | 55% | 0.547 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -3.3 | -152.7 | -59.7 | 177.4 | -177.4 | 146 | 2.7 | 118.3 | S174 F196 Q203 | R91-S174 PolarHBondContact NH2-O 3.42Å; R91-F196 VanDerWaalsContact NH2-CE2 3.3Å; R91-Q203 PolarHBondContact NH1-O 2.77Å |
| 92 | S | 49.6 | Very low | 73.3 | Confident | 93 Ų | 93 | 86 Ų | 86 | 65% | 0.65 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -32.4 | -177.6 | 46.7 | 0 | 0 | 0 | 0 | 115.6 | R90 V94 | R90-S92 PolarHBondContact O-N 3.42Å; S92-V94 PolarHBondContact O-N 2.86Å |
| 93 | H | 64.3 | Low | 73.2 | Confident | 87 Ų | 87 | 88.1 Ų | 88.1 | 40% | 0.403 | 42% | 0.422 | S | S | . | . | trans | -96.4 | 16.2 | -159.3 | -72 | -68.4 | 0 | 0 | 0 | 116.9 | F89 R95 D96 V97 | F89-H93 HydrophobicContact CB-CB 4.38Å; H93-R95 PolarHBondContact O-N 2.59Å; H93-D96 HydrophobicContact CB-CB 4.38Å; H93-D96 IonicContact CE1-OD2 2.65Å; H93-D96 IonicContact CG-OD2 3.77Å; H93-D96 IonicContact ND1-OD2 2.63Å; H93-D96 PolarHBondContact ND1-OD2 3Å; H93-D96 WeakPolarHBondContact O-CA 3.11Å; H93-D96 WeakPolarHBondContact O-CB 3.49Å; H93-D96 PolarHBondContact O-N 2.79Å; H93-V97 HydrophobicContact CB-CG2 4.5Å; H93-V97 WeakPolarHBondContact O-CG2 3.09Å; H93-V97 PolarHBondContact O-N 3.49Å | ||
| 94 | V | 76.9 | Confident | 73.3 | Confident | 86 Ų | 86 | 93.1 Ų | 93.1 | 52% | 0.521 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -53.2 | -34.6 | -170.2 | -169.7 | 0 | 0 | 0 | 0 | 113.9 | Y32 S92 A98 | Y32-V94 HydrophobicContact CD2-CG1 3.89Å; Y32-V94 HydrophobicContact CE2-CB 4.3Å; Y32-V94 HydrophobicContact CE2-CG1 4.16Å; S92-V94 PolarHBondContact O-N 2.86Å; V94-A98 PolarHBondContact O-N 2.83Å; V94-A98 VanDerWaalsContact O-N 3.15Å |
| 95 | R | 80.6 | Confident | 73.7 | Confident | 119 Ų | 119 | 91.9 Ų | 91.9 | 45% | 0.449 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.2 | -50.1 | 173 | -167.2 | -172.2 | 171.8 | 104.4 | 9.1 | 111.4 | Y32 H93 V97 A98 M99 | Y32-R95 HydrophobicContact CE1-CB 4.11Å; Y32-R95 HydrophobicContact CE1-CG 3.78Å; Y32-R95 HydrophobicContact CE2-CB 4.22Å; Y32-R95 WeakPolarHBondContact OH-CB 3.37Å; H93-R95 PolarHBondContact O-N 2.59Å; R95-V97 VanDerWaalsContact C-N 3.3Å; R95-V97 PolarHBondContact O-N 2.96Å; R95-A98 PolarHBondContact O-N 3.07Å; R95-A98 VanDerWaalsContact O-N 3.11Å; R95-M99 HydrophobicContact CG-CE 3.88Å; R95-M99 HydrophobicContact CG-CG 4.4Å; R95-M99 HydrophobicContact CG-SD 4.02Å; R95-M99 PolarHBondContact NE-SD 3.47Å; R95-M99 VanDerWaalsContact NE-SD 3.39Å; R95-M99 WeakPolarHBondContact O-CG 3.31Å; R95-M99 PolarHBondContact O-N 3.49Å |
| 96 | D | 80.5 | Confident | 74.7 | Confident | 72 Ų | 72 | 90.4 Ų | 90.4 | 39% | 0.385 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.7 | -33.3 | -176.1 | -45.6 | -39.8 | 0 | 0 | 0 | 110.8 | H93 M99 K100 | H93-D96 HydrophobicContact CB-CB 4.38Å; H93-D96 IonicContact CE1-OD2 2.65Å; H93-D96 IonicContact CG-OD2 3.77Å; H93-D96 IonicContact ND1-OD2 2.63Å; H93-D96 PolarHBondContact ND1-OD2 3Å; H93-D96 WeakPolarHBondContact O-CA 3.11Å; H93-D96 WeakPolarHBondContact O-CB 3.49Å; H93-D96 PolarHBondContact O-N 2.79Å; D96-M99 WeakPolarHBondContact OD1-CE 3.26Å; D96-K100 WeakPolarHBondContact O-CB 3.34Å; D96-K100 PolarHBondContact O-N 3.26Å |
| 97 | V | 83 | Confident | 75.9 | Confident | 16 Ų | 16 | 87.7 Ų | 87.7 | 10% | 0.097 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59 | -47.8 | 169.1 | -175.7 | 0 | 0 | 0 | 0 | 110.7 | F89 H93 R95 R101 | F89-V97 HydrophobicContact CB-CG2 4.07Å; F89-V97 HydrophobicContact CD2-CB 4.47Å; F89-V97 HydrophobicContact CD2-CG2 3.34Å; F89-V97 HydrophobicContact CE2-CG2 3.97Å; F89-V97 HydrophobicContact CG-CG2 3.99Å; H93-V97 HydrophobicContact CB-CG2 4.5Å; H93-V97 WeakPolarHBondContact O-CG2 3.09Å; H93-V97 PolarHBondContact O-N 3.49Å; R95-V97 VanDerWaalsContact C-N 3.3Å; R95-V97 PolarHBondContact O-N 2.96Å; V97-R101 VanDerWaalsContact CG1-CZ 3.47Å; V97-R101 VanDerWaalsContact CG1-NH2 3.3Å; V97-R101 WeakPolarHBondContact O-CB 3.41Å; V97-R101 VanDerWaalsContact O-CG 3.26Å; V97-R101 WeakPolarHBondContact O-CG 3.32Å; V97-R101 PolarHBondContact O-N 2.85Å |
| 98 | A | 86.4 | Confident | 77.3 | Confident | 6 Ų | 6 | 84.9 Ų | 84.9 | 5% | 0.05 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68.7 | -46.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | V22 Y32 Y34 V94 R95 K100 R101 L102 | V22-A98 HydrophobicContact CG1-CB 3.65Å; V22-A98 HydrophobicContact CG2-CB 4.38Å; Y32-A98 HydrophobicContact CG-CB 4.43Å; Y34-A98 WeakPolarHBondContact OH-CA 3.44Å; Y34-A98 PolarHBondContact OH-O 2.91Å; V94-A98 PolarHBondContact O-N 2.83Å; V94-A98 VanDerWaalsContact O-N 3.15Å; R95-A98 PolarHBondContact O-N 3.07Å; R95-A98 VanDerWaalsContact O-N 3.11Å; A98-K100 VanDerWaalsContact C-N 3.33Å; A98-K100 PolarHBondContact O-N 3.12Å; A98-R101 PolarHBondContact O-N 3.38Å; A98-R101 VanDerWaalsContact O-N 3.13Å; A98-L102 PolarHBondContact O-N 2.83Å |
| 99 | M | 86 | Confident | 79.3 | Confident | 74 Ų | 74 | 77 Ų | 77 | 37% | 0.365 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.3 | -37.7 | 175.7 | -64.3 | -175.9 | -50.8 | 0 | 0 | 112.2 | R95 D96 L102 | R95-M99 HydrophobicContact CG-CE 3.88Å; R95-M99 HydrophobicContact CG-CG 4.4Å; R95-M99 HydrophobicContact CG-SD 4.02Å; R95-M99 PolarHBondContact NE-SD 3.47Å; R95-M99 VanDerWaalsContact NE-SD 3.39Å; R95-M99 WeakPolarHBondContact O-CG 3.31Å; R95-M99 PolarHBondContact O-N 3.49Å; D96-M99 WeakPolarHBondContact OD1-CE 3.26Å; M99-L102 VanDerWaalsContact O-CB 3.26Å; M99-L102 WeakPolarHBondContact O-CB 3.46Å; M99-L102 PolarHBondContact O-N 3.27Å |
| 100 | K | 86.9 | Confident | 81.4 | Confident | 125 Ų | 125 | 75.1 Ų | 75.1 | 54% | 0.543 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.1 | -32.8 | 174.5 | -174.8 | 173.7 | -178.2 | 177.9 | 0 | 112.4 | D96 A98 F104 | D96-K100 WeakPolarHBondContact O-CB 3.34Å; D96-K100 PolarHBondContact O-N 3.26Å; A98-K100 VanDerWaalsContact C-N 3.33Å; A98-K100 PolarHBondContact O-N 3.12Å; K100-F104 WeakPolarHBondContact O-CD2 3.23Å; K100-F104 WeakPolarHBondContact O-CE2 3.29Å |
| 101 | R | 89.1 | Confident | 83.8 | Confident | 23 Ų | 23 | 66.7 Ų | 66.7 | 9% | 0.087 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -78.2 | -20.4 | 176 | -72.2 | 180 | -164.7 | 175 | 10.1 | 113.7 | Y52 I87 V97 A98 R103 F104 I105 | Y52-R101 VanDerWaalsContact CG-NH1 3.34Å; I87-R101 HydrophobicContact CD1-CG 3.86Å; I87-R101 PolarHBondContact O-NH2 3.05Å; I87-R101 VanDerWaalsContact O-NH2 3.16Å; V97-R101 VanDerWaalsContact CG1-CZ 3.47Å; V97-R101 VanDerWaalsContact CG1-NH2 3.3Å; V97-R101 WeakPolarHBondContact O-CB 3.41Å; V97-R101 VanDerWaalsContact O-CG 3.26Å; V97-R101 WeakPolarHBondContact O-CG 3.32Å; V97-R101 PolarHBondContact O-N 2.85Å; A98-R101 PolarHBondContact O-N 3.38Å; A98-R101 VanDerWaalsContact O-N 3.13Å; R101-R103 PolarHBondContact O-N 2.94Å; R101-F104 PolarHBondContact O-N 2.86Å; R101-F104 VanDerWaalsContact O-N 3.07Å; R101-I105 HydrophobicContact CB-CD1 3.75Å; R101-I105 HydrophobicContact CB-CG1 4.38Å; R101-I105 WeakPolarHBondContact O-CG1 3.09Å; R101-I105 PolarHBondContact O-N 2.85Å |
| 102 | L | 89.9 | Confident | 86 | Confident | 36 Ų | 36 | 59.9 Ų | 59.9 | 19% | 0.188 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -44.8 | -54.1 | -176.2 | -179.1 | 63.4 | 0 | 0 | 0 | 113.3 | V19 V22 Y34 A98 M99 I105 D106 | V19-L102 HydrophobicContact CB-CD1 4.11Å; V19-L102 HydrophobicContact CG1-CD1 3.46Å; V19-L102 VanDerWaalsContact CG1-CD1 3.46Å; V22-L102 HydrophobicContact CG2-CB 4.33Å; V22-L102 HydrophobicContact CG2-CD1 4.02Å; Y34-L102 HydrophobicContact CD1-CD1 4.11Å; A98-L102 PolarHBondContact O-N 2.83Å; M99-L102 VanDerWaalsContact O-CB 3.26Å; M99-L102 WeakPolarHBondContact O-CB 3.46Å; M99-L102 PolarHBondContact O-N 3.27Å; L102-I105 PolarHBondContact O-N 2.66Å; L102-D106 PolarHBondContact O-N 3.07Å |
| 103 | R | 89.5 | Confident | 88 | Confident | 200 Ų | 200 | 56.5 Ų | 56.5 | 76% | 0.755 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -61.5 | -47.3 | 179.6 | -69.7 | -173.7 | -179.7 | 180 | -0.2 | 112.8 | R101 I105 D106 D107 | R101-R103 PolarHBondContact O-N 2.94Å; R103-I105 VanDerWaalsContact C-N 3.26Å; R103-I105 PolarHBondContact O-N 3.25Å; R103-D106 WeakPolarHBondContact O-CB 3.01Å; R103-D106 PolarHBondContact O-N 3.23Å; R103-D106 VanDerWaalsContact O-N 3.17Å; R103-D107 PolarHBondContact O-N 3.24Å |
| 104 | F | 91.2 | Very high | 89.4 | Confident | 118 Ų | 118 | 60.4 Ų | 60.4 | 52% | 0.518 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.9 | -26.5 | -178.5 | -54.9 | -84.3 | 0 | 0 | 0 | 112.9 | P84 K100 R101 Y108 | P84-F104 HydrophobicContact CB-CB 4.49Å; P84-F104 HydrophobicContact CG-CB 3.46Å; P84-F104 VanDerWaalsContact CG-CB 3.46Å; P84-F104 HydrophobicContact CG-CG 4.41Å; K100-F104 WeakPolarHBondContact O-CD2 3.23Å; K100-F104 WeakPolarHBondContact O-CE2 3.29Å; R101-F104 PolarHBondContact O-N 2.86Å; R101-F104 VanDerWaalsContact O-N 3.07Å; F104-Y108 VanDerWaalsContact O-CB 3.32Å; F104-Y108 WeakPolarHBondContact O-CB 3.48Å; F104-Y108 PolarHBondContact O-N 2.92Å |
| 105 | I | 93.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -78.5 | -35.5 | 173.7 | -65.9 | 166.9 | 0 | 0 | 0 | 110.6 | V19 Y34 Y52 F55 P84 R101 L102 R103 Y108 C109 | V19-I105 HydrophobicContact CG2-CG2 4.3Å; Y34-I105 HydrophobicContact CD1-CD1 4.16Å; Y34-I105 HydrophobicContact CD2-CD1 4.17Å; Y34-I105 HydrophobicContact CE1-CD1 3.56Å; Y34-I105 HydrophobicContact CE2-CD1 3.58Å; Y34-I105 HydrophobicContact CG-CD1 4.44Å; Y34-I105 WeakPolarHBondContact OH-CD1 3.25Å; Y52-I105 HydrophobicContact CD2-CD1 3.74Å; Y52-I105 HydrophobicContact CE2-CD1 3.93Å; Y52-I105 HydrophobicContact CE2-CG1 4.49Å; F55-I105 HydrophobicContact CD1-CG2 4.14Å; F55-I105 HydrophobicContact CD2-CG2 4.43Å; F55-I105 HydrophobicContact CE1-CG2 3.57Å; F55-I105 HydrophobicContact CE2-CG2 3.89Å; F55-I105 HydrophobicContact CZ-CG2 3.39Å; P84-I105 HydrophobicContact CG-CG1 4.48Å; R101-I105 HydrophobicContact CB-CD1 3.75Å; R101-I105 HydrophobicContact CB-CG1 4.38Å; R101-I105 WeakPolarHBondContact O-CG1 3.09Å; R101-I105 PolarHBondContact O-N 2.85Å; L102-I105 PolarHBondContact O-N 2.66Å; R103-I105 VanDerWaalsContact C-N 3.26Å; R103-I105 PolarHBondContact O-N 3.25Å; I105-Y108 PolarHBondContact O-N 3Å; I105-C109 PolarHBondContact O-N 3.11Å; I105-C109 PolarHBondContact O-SG 2.97Å |
| 106 | D | 93.9 | Very high | 90.8 | Very high | 24 Ų | 24 | 53.9 Ų | 53.9 | 13% | 0.128 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 169.6 | -171.1 | 57.7 | 0 | 0 | 0 | 111.6 | K18 V19 L102 R103 C109 R110 | K18-D106 WeakPolarHBondContact CA-OD1 3.1Å; V19-D106 HydrophobicContact CB-CB 4.04Å; V19-D106 HydrophobicContact CG2-CB 4.02Å; V19-D106 PolarHBondContact N-OD1 2.59Å; L102-D106 PolarHBondContact O-N 3.07Å; R103-D106 WeakPolarHBondContact O-CB 3.01Å; R103-D106 PolarHBondContact O-N 3.23Å; R103-D106 VanDerWaalsContact O-N 3.17Å; D106-C109 PolarHBondContact O-N 3.47Å; D106-R110 WeakPolarHBondContact O-CB 3.4Å; D106-R110 WeakPolarHBondContact O-CG 3.34Å; D106-R110 PolarHBondContact O-N 2.8Å; D106-R110 IonicContact OD1-NE 2.73Å; D106-R110 IonicContact OD2-CZ 3.25Å; D106-R110 IonicContact OD2-NE 2.59Å; D106-R110 PolarHBondContact OD2-NE 2.82Å; D106-R110 IonicContact OD2-NH2 3.16Å; D106-R110 PolarHBondContact OD2-NH2 2.99Å |
| 107 | D | 93.8 | Very high | 91.2 | Very high | 77 Ų | 77 | 54.3 Ų | 54.3 | 41% | 0.412 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 172 | -72.1 | -45.9 | 0 | 0 | 0 | 112.1 | R103 R110 A111 | R103-D107 PolarHBondContact O-N 3.24Å; D107-R110 PolarHBondContact O-N 3.22Å; D107-R110 IonicContact OD1-CZ 3Å; D107-R110 IonicContact OD1-NH1 3.07Å; D107-R110 PolarHBondContact OD1-NH1 2.7Å; D107-R110 IonicContact OD1-NH2 3.17Å; D107-R110 PolarHBondContact OD1-NH2 2.94Å; D107-A111 VanDerWaalsContact O-CB 3.26Å; D107-A111 WeakPolarHBondContact O-CB 2.92Å; D107-A111 PolarHBondContact O-N 3.28Å |
| 108 | Y | 94.8 | Very high | 91.6 | Very high | 5 Ų | 5 | 58.7 Ų | 58.7 | 2% | 0.02 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 175.2 | 178.2 | -91.9 | 0 | 0 | 0 | 112.1 | F55 P81 L83 F104 I105 A111 L112 | F55-Y108 HydrophobicContact CD1-CD1 4.21Å; F55-Y108 HydrophobicContact CD1-CE1 4.24Å; P81-Y108 HydrophobicContact CB-CD2 4.02Å; P81-Y108 HydrophobicContact CB-CE2 4.32Å; P81-Y108 HydrophobicContact CG-CD2 3.85Å; P81-Y108 HydrophobicContact CG-CE2 3.82Å; L83-Y108 HydrophobicContact CB-CD2 4.11Å; L83-Y108 HydrophobicContact CB-CE2 3.86Å; L83-Y108 HydrophobicContact CD1-CD1 4.06Å; L83-Y108 HydrophobicContact CD1-CD2 4.12Å; L83-Y108 HydrophobicContact CD1-CE1 4.17Å; L83-Y108 HydrophobicContact CD1-CE2 4.22Å; L83-Y108 HydrophobicContact CD1-CG 4.05Å; F104-Y108 VanDerWaalsContact O-CB 3.32Å; F104-Y108 WeakPolarHBondContact O-CB 3.48Å; F104-Y108 PolarHBondContact O-N 2.92Å; I105-Y108 PolarHBondContact O-N 3Å; Y108-A111 PolarHBondContact O-N 2.88Å; Y108-L112 HydrophobicContact CE1-CD2 4.33Å; Y108-L112 WeakPolarHBondContact O-CB 2.97Å; Y108-L112 PolarHBondContact O-N 2.83Å |
| 109 | C | 94.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 176.8 | -65.8 | 0 | 0 | 0 | 0 | 111.6 | V17 I105 D106 A111 L112 V113 F129 | V17-C109 HydrophobicContact CB-CB 4.13Å; V17-C109 HydrophobicContact CG1-CB 3.62Å; I105-C109 PolarHBondContact O-N 3.11Å; I105-C109 PolarHBondContact O-SG 2.97Å; D106-C109 PolarHBondContact O-N 3.47Å; C109-A111 VanDerWaalsContact C-N 3.27Å; C109-A111 PolarHBondContact O-N 2.85Å; C109-L112 PolarHBondContact O-N 2.88Å; C109-V113 PolarHBondContact O-N 2.81Å; C109-V113 VanDerWaalsContact O-N 3.09Å; C109-F129 HydrophobicContact CB-CZ 4.34Å |
| 110 | R | 93.8 | Very high | 92.1 | Very high | 57 Ų | 57 | 55.6 Ų | 55.6 | 22% | 0.215 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.3 | -27.8 | 179.2 | -73.5 | -171.8 | -79.9 | 92.6 | -10.4 | 112.9 | V17 D106 D107 R114 | V17-R110 WeakPolarHBondContact O-CG 3.25Å; D106-R110 WeakPolarHBondContact O-CB 3.4Å; D106-R110 WeakPolarHBondContact O-CG 3.34Å; D106-R110 PolarHBondContact O-N 2.8Å; D106-R110 IonicContact OD1-NE 2.73Å; D106-R110 IonicContact OD2-CZ 3.25Å; D106-R110 IonicContact OD2-NE 2.59Å; D106-R110 PolarHBondContact OD2-NE 2.82Å; D106-R110 IonicContact OD2-NH2 3.16Å; D106-R110 PolarHBondContact OD2-NH2 2.99Å; D107-R110 PolarHBondContact O-N 3.22Å; D107-R110 IonicContact OD1-CZ 3Å; D107-R110 IonicContact OD1-NH1 3.07Å; D107-R110 PolarHBondContact OD1-NH1 2.7Å; D107-R110 IonicContact OD1-NH2 3.17Å; D107-R110 PolarHBondContact OD1-NH2 2.94Å; R110-R114 WeakPolarHBondContact O-CD 3.49Å; R110-R114 WeakPolarHBondContact O-CG 3.32Å; R110-R114 PolarHBondContact O-NE 3.2Å |
| 111 | A | 94.2 | Very high | 92.3 | Very high | 37 Ų | 37 | 54.7 Ų | 54.7 | 31% | 0.306 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -74 | -45.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | P81 D107 Y108 C109 V113 R114 L115 | P81-A111 HydrophobicContact CB-CB 3.87Å; P81-A111 HydrophobicContact CG-CB 3.93Å; D107-A111 VanDerWaalsContact O-CB 3.26Å; D107-A111 WeakPolarHBondContact O-CB 2.92Å; D107-A111 PolarHBondContact O-N 3.28Å; Y108-A111 PolarHBondContact O-N 2.88Å; C109-A111 VanDerWaalsContact C-N 3.27Å; C109-A111 PolarHBondContact O-N 2.85Å; A111-V113 PolarHBondContact O-N 2.94Å; A111-R114 CarbonylContact O-C 3.58Å; A111-R114 PolarHBondContact O-N 3.15Å; A111-L115 PolarHBondContact O-N 3.39Å |
| 112 | L | 93.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.1 | -44.3 | -177.9 | -176 | 66.7 | 0 | 0 | 0 | 112.7 | L58 L62 Y108 C109 R114 L115 V125 F129 | L58-L112 HydrophobicContact CD2-CD2 3.77Å; L62-L112 HydrophobicContact CD1-CD1 3.53Å; L62-L112 HydrophobicContact CD1-CD2 4.48Å; Y108-L112 HydrophobicContact CE1-CD2 4.33Å; Y108-L112 WeakPolarHBondContact O-CB 2.97Å; Y108-L112 PolarHBondContact O-N 2.83Å; C109-L112 PolarHBondContact O-N 2.88Å; L112-R114 VanDerWaalsContact C-N 3.26Å; L112-R114 PolarHBondContact O-N 3.23Å; L112-L115 HydrophobicContact CD1-CD1 3.92Å; L112-L115 WeakPolarHBondContact O-CB 3.46Å; L112-L115 WeakPolarHBondContact O-CG 3.17Å; L112-L115 PolarHBondContact O-N 2.77Å; L112-V125 HydrophobicContact CD1-CG2 4.07Å; L112-V125 HydrophobicContact CD2-CG1 4.07Å; L112-V125 HydrophobicContact CD2-CG2 4.23Å; L112-V125 HydrophobicContact CG-CG1 4.16Å; L112-V125 HydrophobicContact CG-CG2 4.24Å; L112-F129 HydrophobicContact CD2-CE2 3.98Å; L112-F129 HydrophobicContact CD2-CZ 4.25Å |
| 113 | V | 92.6 | Very high | 92.5 | Very high | 22 Ų | 22 | 59.5 Ų | 59.5 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.1 | -25.2 | 177.4 | 177.3 | 0 | 0 | 0 | 0 | 112.1 | V14 V17 C109 A111 S120 F129 | V14-V113 HydrophobicContact CB-CG2 4.49Å; V14-V113 HydrophobicContact CG1-CG1 4.13Å; V14-V113 HydrophobicContact CG1-CG2 3.76Å; V17-V113 HydrophobicContact CB-CG2 4.39Å; V17-V113 HydrophobicContact CG2-CG2 3.78Å; C109-V113 PolarHBondContact O-N 2.81Å; C109-V113 VanDerWaalsContact O-N 3.09Å; A111-V113 PolarHBondContact O-N 2.94Å; V113-S120 WeakPolarHBondContact O-CB 3.41Å; V113-F129 HydrophobicContact CG2-CE2 3.96Å; V113-F129 HydrophobicContact CG2-CZ 4.39Å |
| 114 | R | 93.3 | Very high | 92.6 | Very high | 170 Ų | 170 | 51.7 Ų | 51.7 | 64% | 0.642 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -1.3 | 177.3 | -68.3 | 173 | -165.4 | 151.9 | 6.4 | 114 | R110 A111 L112 | R110-R114 WeakPolarHBondContact O-CD 3.49Å; R110-R114 WeakPolarHBondContact O-CG 3.32Å; R110-R114 PolarHBondContact O-NE 3.2Å; A111-R114 CarbonylContact O-C 3.58Å; A111-R114 PolarHBondContact O-N 3.15Å; L112-R114 VanDerWaalsContact C-N 3.26Å; L112-R114 PolarHBondContact O-N 3.23Å |
| 115 | L | 93.3 | Very high | 92.6 | Very high | 18 Ų | 18 | 46.1 Ų | 46.1 | 9% | 0.094 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -64.7 | 159.2 | 171.5 | -64.9 | -173.8 | 0 | 0 | 0 | 111.2 | I79 I80 A111 L112 I119 S120 | I79-L115 HydrophobicContact CB-CD2 4.45Å; I79-L115 VanDerWaalsContact O-CD2 3.29Å; I79-L115 WeakPolarHBondContact O-CD2 3.35Å; I80-L115 HydrophobicContact CG1-CD1 4.21Å; A111-L115 PolarHBondContact O-N 3.39Å; L112-L115 HydrophobicContact CD1-CD1 3.92Å; L112-L115 WeakPolarHBondContact O-CB 3.46Å; L112-L115 WeakPolarHBondContact O-CG 3.17Å; L112-L115 PolarHBondContact O-N 2.77Å; L115-I119 HydrophobicContact CB-CB 4.09Å; L115-I119 HydrophobicContact CB-CD1 4.48Å; L115-I119 HydrophobicContact CB-CG2 4.49Å; L115-I119 HydrophobicContact CD1-CB 4.17Å; L115-I119 HydrophobicContact CD1-CD1 4.1Å; L115-I119 HydrophobicContact CD1-CG2 3.72Å; L115-S120 WeakPolarHBondContact O-CB 3.25Å; L115-S120 PolarHBondContact O-OG 3.31Å |
| 116 | P | 93.1 | Very high | 92.5 | Very high | 49 Ų | 49 | 47.6 Ų | 47.6 | 32% | 0.318 | 24% | 0.239 | S | C | . | . | trans | -49 | 145.3 | 174.7 | -29.9 | 37.2 | 0 | 0 | 0 | 112.5 | I79 H118 I119 S120 | I79-P116 HydrophobicContact CD1-CG 3.82Å; P116-H118 VanDerWaalsContact CB-CE1 3.44Å; P116-H118 WeakPolarHBondContact CB-CE1 3.18Å; P116-H118 PolarHBondContact O-N 2.91Å; P116-I119 PolarHBondContact O-N 2.79Å; P116-S120 PolarHBondContact O-N 3.14Å; P116-S120 VanDerWaalsContact O-N 3.08Å; P116-S120 PolarHBondContact O-OG 2.84Å | ||
| 117 | P | 89.6 | Confident | 92.4 | Very high | 82 Ų | 82 | 51 Ų | 51 | 53% | 0.532 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -51.7 | -31 | -173.5 | -32.2 | 37 | 0 | 0 | 0 | 115.6 | I119 S120 Q121 | P117-I119 PolarHBondContact O-N 3.01Å; P117-S120 WeakPolarHBondContact CA-OG 3.46Å; P117-Q121 HydrophobicContact CB-CG 4.38Å; P117-Q121 WeakPolarHBondContact O-CA 3.37Å; P117-Q121 WeakPolarHBondContact O-CB 3.41Å; P117-Q121 WeakPolarHBondContact O-CG 3.27Å; P117-Q121 PolarHBondContact O-N 2.81Å |
| 118 | H | 90.2 | Very high | 92.4 | Very high | 108 Ų | 108 | 48.1 Ų | 48.1 | 50% | 0.5 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.3 | -21.1 | 177.4 | 61 | -105.5 | 0 | 0 | 0 | 113.9 | F66 P116 | F66-H118 VanDerWaalsContact CZ-O 3.24Å; F66-H118 WeakPolarHBondContact CZ-O 3.33Å; P116-H118 VanDerWaalsContact CB-CE1 3.44Å; P116-H118 WeakPolarHBondContact CB-CE1 3.18Å; P116-H118 PolarHBondContact O-N 2.91Å |
| 119 | I | 91.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -98.2 | -50.8 | 170.8 | -45.7 | -178.3 | 0 | 0 | 0 | 110.6 | L62 F66 E69 I79 I80 L115 P116 P117 Q121 S122 V125 | L62-I119 HydrophobicContact CD2-CG2 3.82Å; F66-I119 HydrophobicContact CD1-CG1 4.25Å; F66-I119 HydrophobicContact CD2-CG1 4.42Å; F66-I119 HydrophobicContact CD2-CG2 4.08Å; F66-I119 HydrophobicContact CE1-CG1 4.26Å; F66-I119 HydrophobicContact CE2-CB 4.41Å; F66-I119 HydrophobicContact CE2-CG1 4.42Å; F66-I119 HydrophobicContact CE2-CG2 3.97Å; F66-I119 HydrophobicContact CG-CG1 4.33Å; F66-I119 HydrophobicContact CZ-CG1 4.35Å; E69-I119 HydrophobicContact CB-CD1 3.87Å; E69-I119 HydrophobicContact CG-CD1 4.06Å; I79-I119 HydrophobicContact CD1-CD1 3.94Å; I79-I119 HydrophobicContact CG1-CD1 4.27Å; I80-I119 HydrophobicContact CD1-CD1 4.4Å; I80-I119 HydrophobicContact CG1-CD1 4.1Å; L115-I119 HydrophobicContact CB-CB 4.09Å; L115-I119 HydrophobicContact CB-CD1 4.48Å; L115-I119 HydrophobicContact CB-CG2 4.49Å; L115-I119 HydrophobicContact CD1-CB 4.17Å; L115-I119 HydrophobicContact CD1-CD1 4.1Å; L115-I119 HydrophobicContact CD1-CG2 3.72Å; P116-I119 PolarHBondContact O-N 2.79Å; P117-I119 PolarHBondContact O-N 3.01Å; I119-Q121 VanDerWaalsContact C-N 3.26Å; I119-Q121 PolarHBondContact O-N 3.44Å; I119-S122 WeakPolarHBondContact O-CB 3.18Å; I119-S122 PolarHBondContact O-N 2.84Å; I119-S122 PolarHBondContact O-OG 2.88Å; I119-V125 WeakPolarHBondContact O-CG2 3.37Å |
| 120 | S | 92.5 | Very high | 92.1 | Very high | 15 Ų | 15 | 52.2 Ų | 52.2 | 11% | 0.105 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70 | -21.1 | -173.6 | 51.8 | 0 | 0 | 0 | 0 | 113.9 | V113 L115 P116 P117 | V113-S120 WeakPolarHBondContact O-CB 3.41Å; L115-S120 WeakPolarHBondContact O-CB 3.25Å; L115-S120 PolarHBondContact O-OG 3.31Å; P116-S120 PolarHBondContact O-N 3.14Å; P116-S120 VanDerWaalsContact O-N 3.08Å; P116-S120 PolarHBondContact O-OG 2.84Å; P117-S120 WeakPolarHBondContact CA-OG 3.46Å |
| 121 | Q | 90 | Very high | 92 | Very high | 105 Ų | 105 | 51 Ų | 51 | 49% | 0.491 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 15.2 | 170.6 | -48 | 178.2 | -2.7 | 0 | 0 | 112 | T13 P117 I119 L126 | T13-Q121 HydrophobicContact CG2-CB 4.4Å; T13-Q121 HydrophobicContact CG2-CG 3.89Å; P117-Q121 HydrophobicContact CB-CG 4.38Å; P117-Q121 WeakPolarHBondContact O-CA 3.37Å; P117-Q121 WeakPolarHBondContact O-CB 3.41Å; P117-Q121 WeakPolarHBondContact O-CG 3.27Å; P117-Q121 PolarHBondContact O-N 2.81Å; I119-Q121 VanDerWaalsContact C-N 3.26Å; I119-Q121 PolarHBondContact O-N 3.44Å; Q121-L126 WeakPolarHBondContact O-CD1 3.35Å |
| 122 | S | 92.3 | Very high | 91.6 | Very high | 12 Ų | 12 | 52.2 Ų | 52.2 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -70.3 | 150.4 | 172.5 | 72 | 0 | 0 | 0 | 0 | 111.2 | I119 E124 V125 L126 | I119-S122 WeakPolarHBondContact O-CB 3.18Å; I119-S122 PolarHBondContact O-N 2.84Å; I119-S122 PolarHBondContact O-OG 2.88Å; S122-E124 PolarHBondContact O-N 3.2Å; S122-V125 PolarHBondContact O-N 2.98Å; S122-L126 PolarHBondContact O-N 3.03Å |
| 123 | E | 90.4 | Very high | 91 | Very high | 149 Ų | 149 | 55.8 Ų | 55.8 | 70% | 0.696 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -54 | -37.8 | -175.7 | -170.5 | 170.7 | -163 | 0 | 0 | 113.2 | L126 H127 | E123-L126 PolarHBondContact O-N 3Å; E123-H127 VanDerWaalsContact O-CB 3.23Å; E123-H127 WeakPolarHBondContact O-CB 3.18Å; E123-H127 PolarHBondContact O-N 2.88Å |
| 124 | E | 92.3 | Very high | 90.4 | Very high | 36 Ų | 36 | 61.9 Ų | 61.9 | 17% | 0.168 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 178.5 | -45.3 | -54.3 | 156 | 0 | 0 | 112.1 | L58 Q61 K65 S122 F128 | L58-E124 HydrophobicContact CD1-CB 3.96Å; Q61-E124 HydrophobicContact CB-CG 4.3Å; Q61-E124 PolarHBondContact NE2-OE2 2.89Å; K65-E124 HydrophobicContact CD-CG 4.39Å; K65-E124 WeakPolarHBondContact CE-OE1 3.5Å; K65-E124 IonicContact NZ-OE1 2.68Å; K65-E124 PolarHBondContact NZ-OE1 3.1Å; S122-E124 PolarHBondContact O-N 3.2Å; E124-F128 VanDerWaalsContact O-CB 3.25Å; E124-F128 WeakPolarHBondContact O-CB 3.37Å; E124-F128 PolarHBondContact O-N 2.93Å |
| 125 | V | 92.2 | Very high | 90 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.7 | -43.4 | -179.5 | 179.8 | 0 | 0 | 0 | 0 | 110.1 | L62 L112 I119 S122 F128 F129 | L62-V125 HydrophobicContact CD1-CG2 4.39Å; L62-V125 HydrophobicContact CD2-CG2 3.86Å; L112-V125 HydrophobicContact CD1-CG2 4.07Å; L112-V125 HydrophobicContact CD2-CG1 4.07Å; L112-V125 HydrophobicContact CD2-CG2 4.23Å; L112-V125 HydrophobicContact CG-CG1 4.16Å; L112-V125 HydrophobicContact CG-CG2 4.24Å; I119-V125 WeakPolarHBondContact O-CG2 3.37Å; S122-V125 PolarHBondContact O-N 2.98Å; V125-F128 PolarHBondContact O-N 2.97Å; V125-F129 HydrophobicContact CG1-CD2 3.82Å; V125-F129 HydrophobicContact CG1-CE2 3.8Å; V125-F129 VanDerWaalsContact O-CD2 3.24Å; V125-F129 WeakPolarHBondContact O-CD2 3.13Å; V125-F129 PolarHBondContact O-N 2.93Å |
| 126 | L | 91.1 | Very high | 89.5 | Confident | 32 Ų | 32 | 58.8 Ų | 58.8 | 17% | 0.168 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.6 | -46.5 | 177.5 | -64 | 179.3 | 0 | 0 | 0 | 111.4 | V14 Q121 S122 E123 F128 F129 E130 | V14-L126 HydrophobicContact CG2-CD2 4.48Å; Q121-L126 WeakPolarHBondContact O-CD1 3.35Å; S122-L126 PolarHBondContact O-N 3.03Å; E123-L126 PolarHBondContact O-N 3Å; L126-F128 VanDerWaalsContact C-N 3.34Å; L126-F128 PolarHBondContact O-N 2.94Å; L126-F129 PolarHBondContact O-N 3.13Å; L126-E130 WeakPolarHBondContact O-CB 3.24Å; L126-E130 PolarHBondContact O-N 3.02Å |
| 127 | H | 91.2 | Very high | 88.5 | Confident | 95 Ų | 95 | 62.5 Ų | 62.5 | 44% | 0.44 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -72.6 | -21.9 | 179.3 | -175.1 | 62.7 | 0 | 0 | 0 | 114.2 | E123 E130 K132 | E123-H127 VanDerWaalsContact O-CB 3.23Å; E123-H127 WeakPolarHBondContact O-CB 3.18Å; E123-H127 PolarHBondContact O-N 2.88Å; H127-E130 IonicContact CE1-OE2 2.75Å; H127-E130 PolarHBondContact CE1-OE2 2.85Å; H127-E130 IonicContact CG-OE2 2.69Å; H127-E130 IonicContact ND1-OE2 2.8Å; H127-E130 PolarHBondContact ND1-OE2 3.09Å; H127-K132 PolarHBondContact CD2-NZ 2.99Å; H127-K132 PolarHBondContact CE1-NZ 2.95Å; H127-K132 PolarHBondContact NE2-NZ 2.9Å; H127-K132 VanDerWaalsContact O-CE 3.29Å; H127-K132 WeakPolarHBondContact O-CE 3.44Å; H127-K132 PolarHBondContact O-NZ 2.94Å |
| 128 | F | 93.8 | Very high | 87.5 | Confident | 16 Ų | 16 | 60.5 Ų | 60.5 | 7% | 0.07 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.9 | -45.6 | 170 | 177.5 | -93.9 | 0 | 0 | 0 | 111.7 | R50 K54 F55 L58 E124 V125 L126 | R50-F128 HydrophobicContact CB-CE2 4.3Å; R50-F128 HydrophobicContact CB-CZ 3.95Å; R50-F128 HydrophobicContact CG-CE1 4.26Å; R50-F128 HydrophobicContact CG-CE2 4.09Å; R50-F128 HydrophobicContact CG-CZ 3.75Å; R50-F128 PolarHBondContact NE-O 3.49Å; R50-F128 PolarHBondContact NH2-O 3.05Å; K54-F128 HydrophobicContact CB-CE2 3.98Å; K54-F128 WeakPolarHBondContact O-CE2 3.31Å; F55-F128 HydrophobicContact CD1-CE1 4.14Å; F55-F128 HydrophobicContact CD1-CE2 4.39Å; F55-F128 AromaticContact CD1-CZ 3.58Å; F55-F128 HydrophobicContact CD1-CZ 3.58Å; F55-F128 HydrophobicContact CD2-CZ 4.25Å; F55-F128 AromaticContact CE1-CE1 3.78Å; F55-F128 HydrophobicContact CE1-CE1 3.78Å; F55-F128 AromaticContact CE1-CZ 3.47Å; F55-F128 HydrophobicContact CE1-CZ 3.47Å; F55-F128 VanDerWaalsContact CE1-CZ 3.47Å; F55-F128 HydrophobicContact CE2-CZ 4.17Å; F55-F128 HydrophobicContact CG-CE2 4.5Å; F55-F128 AromaticContact CG-CZ 3.99Å; F55-F128 HydrophobicContact CG-CZ 3.99Å; F55-F128 HydrophobicContact CZ-CE1 4.32Å; F55-F128 AromaticContact CZ-CZ 3.82Å; F55-F128 HydrophobicContact CZ-CZ 3.82Å; L58-F128 HydrophobicContact CB-CD2 4.18Å; L58-F128 HydrophobicContact CD1-CB 4.12Å; L58-F128 HydrophobicContact CD2-CB 4.05Å; L58-F128 HydrophobicContact CD2-CD1 3.83Å; L58-F128 HydrophobicContact CD2-CD2 3.87Å; L58-F128 HydrophobicContact CD2-CE1 4.25Å; L58-F128 HydrophobicContact CD2-CE2 4.28Å; L58-F128 HydrophobicContact CD2-CG 3.63Å; L58-F128 HydrophobicContact CD2-CZ 4.46Å; L58-F128 HydrophobicContact CG-CD2 4.48Å; L58-F128 HydrophobicContact CG-CG 4.49Å; E124-F128 VanDerWaalsContact O-CB 3.25Å; E124-F128 WeakPolarHBondContact O-CB 3.37Å; E124-F128 PolarHBondContact O-N 2.93Å; V125-F128 PolarHBondContact O-N 2.97Å; L126-F128 VanDerWaalsContact C-N 3.34Å; L126-F128 PolarHBondContact O-N 2.94Å |
| 129 | F | 93.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -82.2 | -18.7 | -179.3 | -71.8 | -55.2 | 0 | 0 | 0 | 114.2 | V14 V17 V38 Y40 I48 C109 L112 V113 V125 L126 T131 | V14-F129 HydrophobicContact CG1-CD2 4.5Å; V14-F129 HydrophobicContact CG2-CB 3.7Å; V14-F129 HydrophobicContact CG2-CD2 4Å; V14-F129 HydrophobicContact CG2-CG 4.11Å; V17-F129 HydrophobicContact CB-CE1 4.39Å; V17-F129 HydrophobicContact CG1-CD1 4.49Å; V17-F129 HydrophobicContact CG1-CE1 3.79Å; V17-F129 HydrophobicContact CG1-CZ 4.27Å; V17-F129 HydrophobicContact CG2-CD1 4.08Å; V17-F129 HydrophobicContact CG2-CE1 3.82Å; V17-F129 HydrophobicContact CG2-CE2 4.32Å; V17-F129 HydrophobicContact CG2-CG 4.48Å; V17-F129 HydrophobicContact CG2-CZ 3.95Å; V38-F129 HydrophobicContact CG1-CB 4.15Å; V38-F129 HydrophobicContact CG2-CB 4.31Å; V38-F129 HydrophobicContact CG2-CD1 3.79Å; V38-F129 HydrophobicContact CG2-CG 4.41Å; Y40-F129 PolarHBondContact OH-O 2.98Å; I48-F129 HydrophobicContact CD1-CD1 4.06Å; C109-F129 HydrophobicContact CB-CZ 4.34Å; L112-F129 HydrophobicContact CD2-CE2 3.98Å; L112-F129 HydrophobicContact CD2-CZ 4.25Å; V113-F129 HydrophobicContact CG2-CE2 3.96Å; V113-F129 HydrophobicContact CG2-CZ 4.39Å; V125-F129 HydrophobicContact CG1-CD2 3.82Å; V125-F129 HydrophobicContact CG1-CE2 3.8Å; V125-F129 VanDerWaalsContact O-CD2 3.24Å; V125-F129 WeakPolarHBondContact O-CD2 3.13Å; V125-F129 PolarHBondContact O-N 2.93Å; L126-F129 PolarHBondContact O-N 3.13Å; F129-T131 PolarHBondContact O-N 2.94Å |
| 130 | E | 90.3 | Very high | 84.6 | Confident | 93 Ų | 93 | 65.1 Ų | 65.1 | 44% | 0.435 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -50.9 | 132.5 | 174.1 | -179.4 | 176.2 | -143.5 | 0 | 0 | 112.3 | R50 L126 H127 K132 | R50-E130 PolarHBondContact NH2-O 2.8Å; L126-E130 WeakPolarHBondContact O-CB 3.24Å; L126-E130 PolarHBondContact O-N 3.02Å; H127-E130 IonicContact CE1-OE2 2.75Å; H127-E130 PolarHBondContact CE1-OE2 2.85Å; H127-E130 IonicContact CG-OE2 2.69Å; H127-E130 IonicContact ND1-OE2 2.8Å; H127-E130 PolarHBondContact ND1-OE2 3.09Å; E130-K132 PolarHBondContact O-N 3.19Å |
| 131 | T | 90 | Very high | 83 | Confident | 30 Ų | 30 | 66.3 Ų | 66.3 | 18% | 0.184 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 119.8 | 171.8 | 33.1 | 0 | 0 | 0 | 0 | 112 | Y40 H46 I48 F129 | Y40-T131 PolarHBondContact OH-N 2.88Å; H46-T131 HydrophobicContact CB-CG2 3.38Å; H46-T131 WeakPolarHBondContact CD2-CG2 3.4Å; I48-T131 HydrophobicContact CG2-CG2 3.7Å; F129-T131 PolarHBondContact O-N 2.94Å |
| 132 | K | 87.3 | Confident | 80.7 | Confident | 63 Ų | 63 | 68.9 Ų | 68.9 | 27% | 0.274 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -98.4 | 164.6 | 177 | -53.9 | -169 | -177.9 | -174.6 | 0 | 109.7 | H127 E130 E134 D135 I136 | H127-K132 PolarHBondContact CD2-NZ 2.99Å; H127-K132 PolarHBondContact CE1-NZ 2.95Å; H127-K132 PolarHBondContact NE2-NZ 2.9Å; H127-K132 VanDerWaalsContact O-CE 3.29Å; H127-K132 WeakPolarHBondContact O-CE 3.44Å; H127-K132 PolarHBondContact O-NZ 2.94Å; E130-K132 PolarHBondContact O-N 3.19Å; K132-E134 PolarHBondContact O-N 2.87Å; K132-D135 PolarHBondContact N-OD2 2.89Å; K132-D135 WeakPolarHBondContact O-CA 3.28Å; K132-D135 WeakPolarHBondContact O-CB 3.49Å; K132-D135 PolarHBondContact O-N 3.38Å; K132-I136 PolarHBondContact O-N 2.75Å |
| 133 | A | 81.3 | Confident | 78.4 | Confident | 77 Ų | 77 | 75.7 Ų | 75.7 | 64% | 0.636 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -57.5 | -34.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D135 I136 N137 | A133-D135 PolarHBondContact O-N 2.58Å; A133-I136 PolarHBondContact O-N 3.33Å; A133-N137 PolarHBondContact O-N 3.49Å |
| 134 | E | 79.4 | Confident | 75.7 | Confident | 149 Ų | 149 | 71.7 Ų | 71.7 | 70% | 0.696 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.7 | -20.6 | 173.5 | -62.2 | 169.3 | -123.8 | 0 | 0 | 114.3 | K132 P138 | K132-E134 PolarHBondContact O-N 2.87Å; E134-P138 WeakPolarHBondContact O-CA 3.46Å |
| 135 | D | 85.4 | Confident | 72.8 | Confident | 11 Ų | 11 | 76 Ų | 76 | 6% | 0.059 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -88.4 | -35.4 | 176.6 | -60.3 | -53.4 | 0 | 0 | 0 | 112 | I48 Y49 R50 K132 A133 | I48-D135 WeakPolarHBondContact CA-OD1 3.34Å; I48-D135 HydrophobicContact CB-CB 4.33Å; I48-D135 HydrophobicContact CG2-CB 4.14Å; Y49-D135 HydrophobicContact CD2-CB 4.46Å; Y49-D135 PolarHBondContact N-OD1 2.83Å; R50-D135 IonicContact CZ-OD1 3.81Å; R50-D135 IonicContact CZ-OD2 3.83Å; R50-D135 VanDerWaalsContact NH1-CG 3.26Å; R50-D135 IonicContact NH1-OD1 3.16Å; R50-D135 PolarHBondContact NH1-OD1 2.86Å; R50-D135 IonicContact NH1-OD2 3.74Å; R50-D135 PolarHBondContact NH1-OD2 2.84Å; R50-D135 IonicContact NH2-OD1 2.66Å; R50-D135 IonicContact NH2-OD2 2.82Å; R50-D135 PolarHBondContact NH2-OD2 3.21Å; K132-D135 PolarHBondContact N-OD2 2.89Å; K132-D135 WeakPolarHBondContact O-CA 3.28Å; K132-D135 WeakPolarHBondContact O-CB 3.49Å; K132-D135 PolarHBondContact O-N 3.38Å; A133-D135 PolarHBondContact O-N 2.58Å |
| 136 | I | 82.3 | Confident | 70.5 | Confident | 113 Ų | 113 | 86.2 Ų | 86.2 | 58% | 0.579 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -76.9 | -41.5 | -179.3 | -61.1 | 169.9 | 0 | 0 | 0 | 110.6 | K132 A133 P138 | K132-I136 PolarHBondContact O-N 2.75Å; A133-I136 PolarHBondContact O-N 3.33Å; I136-P138 VanDerWaalsContact C-CD 3.45Å; I136-P138 WeakPolarHBondContact O-CD 3.42Å |
| 137 | N | 71.1 | Confident | 67.9 | Low | 127 Ų | 127 | 96.3 Ų | 96.3 | 68% | 0.679 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -120.1 | 72.9 | 175.8 | -63.3 | -66.2 | 0 | 0 | 0 | 109.5 | A133 | A133-N137 PolarHBondContact O-N 3.49Š|
| 138 | P | 68.6 | Low | 65.7 | Low | 39 Ų | 39 | 102.4 Ų | 102.4 | 25% | 0.253 | 53% | 0.532 | S | S | . | . | trans | -62.7 | 137.1 | 173.1 | 28.4 | -33.8 | 0 | 0 | 0 | 109.2 | Y49 E134 I136 V140 | Y49-P138 HydrophobicContact CE2-CB 4.11Å; Y49-P138 HydrophobicContact CE2-CG 4.21Å; E134-P138 WeakPolarHBondContact O-CA 3.46Å; I136-P138 VanDerWaalsContact C-CD 3.45Å; I136-P138 WeakPolarHBondContact O-CD 3.42Å; P138-V140 PolarHBondContact O-N 3Å | ||
| 139 | P | 64.3 | Low | 62.6 | Low | 81 Ų | 81 | 107.4 Ų | 107.4 | 53% | 0.526 | 57% | 0.569 | S | S | . | * | trans | -60.8 | 116.3 | 175.9 | 24.4 | -33.8 | 0 | 0 | 0 | 109.5 | E141 | P139-E141 PolarHBondContact O-N 2.81Š| ||
| 140 | V | 58.4 | Low | 59.6 | Low | 125 Ų | 125 | 110.7 Ų | 110.7 | 76% | 0.758 | 60% | 0.603 | S | S | * | * | trans | -69.4 | 113.8 | -176.2 | -178.4 | 0 | 0 | 0 | 0 | 109.3 | P138 D142 | P138-V140 PolarHBondContact O-N 3Å; V140-D142 PolarHBondContact O-N 3.36Å | ||
| 141 | E | 58.8 | Low | 57.2 | Low | 40 Ų | 40 | 113.7 Ų | 113.7 | 19% | 0.187 | 62% | 0.62 | C | S | . | * | trans | -78.4 | 114.9 | 163.6 | -80 | -172.4 | -147.6 | 0 | 0 | 108.8 | R25 R26 P139 Y143 | R25-E141 VanDerWaalsContact C-OE1 3.32Å; R25-E141 VanDerWaalsContact CA-OE1 3.32Å; R25-E141 WeakPolarHBondContact CA-OE1 3.49Å; R26-E141 WeakPolarHBondContact CB-OE1 3.45Å; R26-E141 WeakPolarHBondContact CD-OE2 3.48Å; R26-E141 VanDerWaalsContact CG-OE1 3.29Å; R26-E141 WeakPolarHBondContact CG-OE1 3.42Å; R26-E141 IonicContact CZ-OE2 3.82Å; R26-E141 PolarHBondContact N-OE1 3.36Å; R26-E141 IonicContact NE-OE2 3.72Å; R26-E141 PolarHBondContact NE-OE2 2.88Å; R26-E141 IonicContact NH2-OE2 2.71Å; P139-E141 PolarHBondContact O-N 2.81Å; E141-Y143 HydrophobicContact CB-CD2 3.76Å; E141-Y143 HydrophobicContact CB-CE2 3.41Å; E141-Y143 VanDerWaalsContact CB-CE2 3.41Å; E141-Y143 HydrophobicContact CG-CE2 4.27Å; E141-Y143 VanDerWaalsContact O-CD2 3.26Å; E141-Y143 WeakPolarHBondContact O-CD2 3.35Å; E141-Y143 PolarHBondContact O-N 3.25Å; E141-Y143 VanDerWaalsContact OE2-CE2 3.23Å; E141-Y143 WeakPolarHBondContact OE2-CE2 3.23Å; E141-Y143 VanDerWaalsContact OE2-CZ 3.26Å; E141-Y143 PolarHBondContact OE2-OH 3.18Å | ||
| 142 | D | 40.8 | Very low | 54.4 | Low | 158 Ų | 158 | 118.6 Ų | 118.6 | 85% | 0.845 | 65% | 0.645 | S | S | * | * | trans | -65.8 | 88.8 | 178.8 | -84.7 | -45.6 | 0 | 0 | 0 | 112.7 | V140 G144 | V140-D142 PolarHBondContact O-N 3.36Å; D142-G144 VanDerWaalsContact C-N 3.34Å; D142-G144 PolarHBondContact O-N 2.71Å; D142-G144 VanDerWaalsContact O-N 3.13Å | ||
| 143 | Y | 43.8 | Very low | 51.7 | Low | 155 Ų | 155 | 121.7 Ų | 121.7 | 61% | 0.608 | 68% | 0.675 | S | S | * | * | trans | -86.6 | 66.1 | 177.2 | -82 | -78.4 | 0 | 0 | 0 | 113.4 | R26 E141 | R26-Y143 PolarHBondContact NE-OH 2.86Å; R26-Y143 PolarHBondContact NH2-OH 3.41Å; E141-Y143 HydrophobicContact CB-CD2 3.76Å; E141-Y143 HydrophobicContact CB-CE2 3.41Å; E141-Y143 VanDerWaalsContact CB-CE2 3.41Å; E141-Y143 HydrophobicContact CG-CE2 4.27Å; E141-Y143 VanDerWaalsContact O-CD2 3.26Å; E141-Y143 WeakPolarHBondContact O-CD2 3.35Å; E141-Y143 PolarHBondContact O-N 3.25Å; E141-Y143 VanDerWaalsContact OE2-CE2 3.23Å; E141-Y143 WeakPolarHBondContact OE2-CE2 3.23Å; E141-Y143 VanDerWaalsContact OE2-CZ 3.26Å; E141-Y143 PolarHBondContact OE2-OH 3.18Å | ||
| 144 | G | 34.8 | Very low | 49.3 | Very low | 65 Ų | 65 | 123 Ų | 123 | 67% | 0.67 | 68% | 0.679 | S | S | * | * | trans | 126.9 | 116.3 | 137 | 0 | 0 | 0 | 0 | 0 | 119.1 | D142 | D142-G144 VanDerWaalsContact C-N 3.34Å; D142-G144 PolarHBondContact O-N 2.71Å; D142-G144 VanDerWaalsContact O-N 3.13Å | ||
| 145 | S | 30.7 | Very low | 47.1 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 88% | 0.881 | 69% | 0.688 | S | S | * | * | trans | -147.5 | 100.4 | 145.5 | -89.3 | 0 | 0 | 0 | 0 | 110.8 | R147 | S145-R147 PolarHBondContact O-N 2.89Š| ||
| 146 | K | 44.5 | Very low | 44.8 | Very low | 216 Ų | 216 | 129 Ų | 129 | 94% | 0.939 | 72% | 0.715 | S | S | * | * | trans | -88.5 | 103.1 | 173.3 | -79.2 | -171.9 | 174.5 | -176.9 | 0 | 110.9 | ||||
| 147 | R | 36.6 | Very low | 42.5 | Very low | 244 Ų | 244 | 131.4 Ų | 131.4 | 92% | 0.921 | 73% | 0.726 | S | S | * | * | trans | -111.6 | 159.3 | 150 | -73.5 | -169.1 | 174.2 | -162.7 | -0 | 109.1 | S145 S149 | S145-R147 PolarHBondContact O-N 2.89Å; R147-S149 PolarHBondContact O-N 2.93Å | ||
| 148 | K | 43.8 | Very low | 41.2 | Very low | 222 Ų | 222 | 131.3 Ų | 131.3 | 97% | 0.965 | 73% | 0.73 | S | S | * | * | trans | -84.6 | 106.3 | -173.5 | -78.3 | -174.3 | 175.1 | -177.9 | 0 | 112.1 | ||||
| 149 | S | 29 | Very low | 40.8 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 85% | 0.846 | 73% | 0.734 | S | S | * | * | trans | -156.5 | 156.8 | 149.9 | 51.4 | 0 | 0 | 0 | 0 | 107.5 | R147 | R147-S149 PolarHBondContact O-N 2.93Š| ||
| 150 | G | 31.1 | Very low | 41.1 | Very low | 69 Ų | 69 | 133.1 Ų | 133.1 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | cis | 154.3 | 53.3 | -4.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 151 | I | 38.4 | Very low | 42.3 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 81% | 0.805 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 71.5 | 154.4 | -179 | -80.5 | 171 | 0 | 0 | 0 | 115 | ||
| 152 | D | 32.6 | Very low | 43.6 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | trans | 45.8 | 101 | 173.4 | -61.1 | -13 | 0 | 0 | 0 | 120.7 | ||||
| 153 | S | 29.3 | Very low | 46 | Very low | 129 Ų | 129 | 123.7 Ų | 123.7 | 90% | 0.902 | 67% | 0.674 | S | S | * | * | trans | -160.5 | 61.9 | 143.9 | -75 | 0 | 0 | 0 | 0 | 108.8 | E155 | S153-E155 PolarHBondContact O-N 2.9Š| ||
| 154 | S | 32.5 | Very low | 48.2 | Very low | 103 Ų | 103 | 116.3 Ų | 116.3 | 72% | 0.72 | 65% | 0.645 | S | S | * | * | trans | -92.5 | 81.1 | 176 | 57.3 | 0 | 0 | 0 | 0 | 110.8 | P156 | S154-P156 WeakPolarHBondContact O-CD 3.23Š| ||
| 155 | E | 33.2 | Very low | 50.7 | Low | 189 Ų | 189 | 117.6 Ų | 117.6 | 88% | 0.883 | 64% | 0.639 | S | S | * | * | trans | -82.9 | 101.3 | 147.4 | -72.8 | -168.9 | 154.3 | 0 | 0 | 106.9 | S153 | S153-E155 PolarHBondContact O-N 2.9Š| ||
| 156 | P | 36.9 | Very low | 53.2 | Low | 98 Ų | 98 | 113.6 Ų | 113.6 | 64% | 0.636 | 61% | 0.613 | S | S | * | * | trans | -62.2 | 141.9 | 167.1 | 28.8 | -33.8 | 0 | 0 | 0 | 108.2 | S154 V158 | S154-P156 WeakPolarHBondContact O-CD 3.23Å; P156-V158 PolarHBondContact O-N 3.11Å | ||
| 157 | M | 32.9 | Very low | 55.4 | Low | 163 Ų | 163 | 108.6 Ų | 108.6 | 80% | 0.803 | 60% | 0.597 | S | S | * | * | trans | -60.3 | 108.3 | 162.5 | -72.4 | 178.5 | 62.8 | 0 | 0 | 106.9 | L159 | M157-L159 VanDerWaalsContact C-N 3.35Å; M157-L159 PolarHBondContact O-N 3.16Å | ||
| 158 | V | 45.2 | Very low | 57.8 | Low | 125 Ų | 125 | 97.6 Ų | 97.6 | 76% | 0.758 | 56% | 0.556 | S | S | * | * | trans | -63.3 | 100.4 | 175.3 | -179.6 | 0 | 0 | 0 | 0 | 106.9 | P156 | P156-V158 PolarHBondContact O-N 3.11Š| ||
| 159 | L | 59.7 | Low | 59.9 | Low | 66 Ų | 66 | 94.6 Ų | 94.6 | 35% | 0.346 | 55% | 0.545 | S | S | . | . | trans | -66.6 | 147.8 | 168 | -65.7 | 176.1 | 0 | 0 | 0 | 107.6 | M157 Q161 D185 I187 | M157-L159 VanDerWaalsContact C-N 3.35Å; M157-L159 PolarHBondContact O-N 3.16Å; L159-Q161 PolarHBondContact O-N 2.88Å; L159-D185 HydrophobicContact CB-CB 3.78Å; L159-D185 HydrophobicContact CD1-CB 3.65Å; L159-D185 HydrophobicContact CG-CB 4.35Å; L159-I187 HydrophobicContact CD1-CG1 4.36Å | ||
| 160 | E | 71.3 | Confident | 62.7 | Low | 93 Ų | 93 | 94.4 Ų | 94.4 | 44% | 0.435 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 105.4 | -178.1 | -145.7 | -178.1 | 144.1 | 0 | 0 | 107.4 | Y162 V186 K189 | E160-Y162 HydrophobicContact CB-CE2 4.07Å; E160-Y162 HydrophobicContact CG-CE2 3.84Å; E160-Y162 WeakPolarHBondContact O-CD2 3.49Å; E160-Y162 PolarHBondContact OE1-OH 2.84Å; E160-Y162 VanDerWaalsContact OE1-OH 3.09Å; E160-V186 PolarHBondContact O-N 3.37Å; E160-V186 VanDerWaalsContact O-N 3.08Å; E160-K189 IonicContact OE1-NZ 3.89Å; E160-K189 PolarHBondContact OE1-NZ 3.02Å; E160-K189 IonicContact OE2-NZ 3.67Å; E160-K189 PolarHBondContact OE2-NZ 3.23Å |
| 161 | Q | 82.5 | Confident | 64.8 | Low | 75 Ų | 75 | 99.4 Ų | 99.4 | 35% | 0.35 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 127 | -173.9 | -162.5 | 175.7 | 25 | 0 | 0 | 110.4 | L159 V184 Q214 | L159-Q161 PolarHBondContact O-N 2.88Å; Q161-V184 WeakPolarHBondContact CA-O 3.38Å; Q161-Q214 PolarHBondContact O-N 2.69Å; Q161-Q214 VanDerWaalsContact O-N 3.07Å |
| 162 | Y | 86.3 | Confident | 66.5 | Low | 21 Ų | 21 | 96.9 Ų | 96.9 | 8% | 0.082 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 152.6 | 179.4 | -81.7 | -105 | 0 | 0 | 0 | 110.2 | E160 T183 V184 V186 K189 W195 L211 D212 | E160-Y162 HydrophobicContact CB-CE2 4.07Å; E160-Y162 HydrophobicContact CG-CE2 3.84Å; E160-Y162 WeakPolarHBondContact O-CD2 3.49Å; E160-Y162 PolarHBondContact OE1-OH 2.84Å; E160-Y162 VanDerWaalsContact OE1-OH 3.09Å; Y162-T183 CarbonylContact O-C 3.48Å; Y162-T183 WeakPolarHBondContact O-CA 3.2Å; Y162-V184 PolarHBondContact N-O 3.46Å; Y162-V184 PolarHBondContact O-N 3Å; Y162-V186 HydrophobicContact CD2-CB 4.22Å; Y162-V186 HydrophobicContact CD2-CG2 3.32Å; Y162-V186 HydrophobicContact CE2-CG2 3.95Å; Y162-V186 HydrophobicContact CG-CG2 3.81Å; Y162-K189 PolarHBondContact OH-NZ 3.08Å; Y162-W195 AromaticContact CD1-CZ3 3.84Å; Y162-W195 HydrophobicContact CD1-CZ3 3.84Å; Y162-W195 HydrophobicContact CD2-CZ3 4.49Å; Y162-W195 AromaticContact CE1-CH2 3.9Å; Y162-W195 HydrophobicContact CE1-CH2 3.9Å; Y162-W195 AromaticContact CE1-CZ3 3.5Å; Y162-W195 HydrophobicContact CE1-CZ3 3.5Å; Y162-W195 HydrophobicContact CE2-CZ3 4.16Å; Y162-W195 HydrophobicContact CG-CZ3 4.35Å; Y162-W195 AromaticContact CZ-CH2 3.99Å; Y162-W195 AromaticContact CZ-CZ3 3.67Å; Y162-L211 HydrophobicContact CD1-CB 3.89Å; Y162-L211 HydrophobicContact CG-CB 4.34Å; Y162-D212 CarbonylContact C-O 3.55Å; Y162-D212 VanDerWaalsContact CA-O 3.23Å; Y162-D212 WeakPolarHBondContact CA-O 3.47Å; Y162-D212 WeakPolarHBondContact CB-O 3.4Å; Y162-D212 VanDerWaalsContact CD1-O 3.24Å; Y162-D212 WeakPolarHBondContact CD1-O 3.22Å |
| 163 | V | 90.5 | Very high | 68.3 | Low | 29 Ų | 29 | 97.6 Ų | 97.6 | 18% | 0.176 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 134.3 | 169.9 | 164 | 0 | 0 | 0 | 0 | 109.3 | V165 T183 L211 D212 Q214 | V163-V165 PolarHBondContact O-N 3.41Å; V163-T183 HydrophobicContact CG2-CG2 3.73Å; V163-L211 WeakPolarHBondContact O-CA 3.44Å; V163-D212 PolarHBondContact N-O 2.87Å; V163-D212 PolarHBondContact O-N 2.88Å; V163-Q214 HydrophobicContact CG2-CB 3.82Å; V163-Q214 VanDerWaalsContact CG2-CD 3.43Å; V163-Q214 HydrophobicContact CG2-CG 4.23Å; V163-Q214 VanDerWaalsContact CG2-OE1 3.25Å |
| 164 | A | 89.8 | Confident | 70.8 | Confident | 0 Ų | 0 | 93.3 Ų | 93.3 | 0% | 0 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 116.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L178 K179 A180 G181 E182 Y210 L211 | A164-L178 HydrophobicContact CB-CB 3.89Å; A164-L178 HydrophobicContact CB-CD1 4.02Å; A164-K179 WeakPolarHBondContact CB-O 3.41Å; A164-A180 CarbonylContact O-C 3.55Å; A164-A180 WeakPolarHBondContact O-CA 3.36Å; A164-G181 PolarHBondContact O-N 3.04Å; A164-E182 HydrophobicContact CB-CB 4.37Å; A164-E182 PolarHBondContact N-O 3.32Å; A164-Y210 CarbonylContact C-O 3.55Å; A164-Y210 VanDerWaalsContact CA-O 3.25Å; A164-Y210 WeakPolarHBondContact CA-O 3.32Å; A164-L211 HydrophobicContact CB-CD2 4.43Å |
| 165 | V | 88.6 | Confident | 73.5 | Confident | 92 Ų | 92 | 89.6 Ų | 89.6 | 56% | 0.558 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -77.1 | -28.5 | -177.8 | -170.7 | 0 | 0 | 0 | 0 | 111.4 | V163 Y210 D212 | V163-V165 PolarHBondContact O-N 3.41Å; V165-Y210 PolarHBondContact N-O 3.06Å; V165-D212 HydrophobicContact CG2-CB 3.52Å |
| 166 | A | 83.6 | Confident | 76.2 | Confident | 41 Ų | 41 | 80.8 Ų | 80.8 | 34% | 0.339 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -138.6 | 160.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y210 | A166-Y210 HydrophobicContact CB-CD1 3.79Å; A166-Y210 HydrophobicContact CB-CE1 3.95Å |
| 167 | N | 89.3 | Confident | 78.6 | Confident | 111 Ų | 111 | 79.7 Ų | 79.7 | 59% | 0.594 | 41% | 0.408 | S | S | * | . | trans | -63.9 | 135.9 | 169.4 | -64.4 | -25 | 0 | 0 | 0 | 109.5 | L178 K179 A180 Y210 | N167-L178 WeakPolarHBondContact CA-O 3.44Å; N167-K179 WeakPolarHBondContact OD1-CA 3.32Å; N167-A180 PolarHBondContact OD1-N 3.4Å; N167-Y210 WeakPolarHBondContact O-CE1 3.42Å | ||
| 168 | Y | 87.7 | Confident | 81.2 | Confident | 13 Ų | 13 | 72.1 Ų | 72.1 | 5% | 0.051 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -130.6 | 127.5 | 173.5 | 175.4 | -107.6 | 0 | 0 | 0 | 109.1 | E175 I176 N177 L178 W194 V206 P207 Y210 | Y168-E175 PolarHBondContact OH-OE2 2.96Å; Y168-E175 VanDerWaalsContact OH-OE2 3.07Å; Y168-I176 WeakPolarHBondContact CD1-O 3.45Å; Y168-I176 WeakPolarHBondContact CE1-O 3.37Å; Y168-N177 CarbonylContact O-C 3.47Å; Y168-N177 VanDerWaalsContact O-CA 3.23Å; Y168-N177 WeakPolarHBondContact O-CA 3.41Å; Y168-L178 PolarHBondContact N-O 2.82Å; Y168-L178 PolarHBondContact O-N 3.12Å; Y168-W194 WeakPolarHBondContact OH-CH2 3.45Å; Y168-W194 WeakPolarHBondContact OH-CZ3 3.5Å; Y168-V206 HydrophobicContact CD1-CB 4.32Å; Y168-V206 HydrophobicContact CD1-CG1 4.09Å; Y168-V206 HydrophobicContact CE1-CB 4.39Å; Y168-V206 HydrophobicContact CE1-CG1 4.21Å; Y168-P207 HydrophobicContact CD2-CG 3.99Å; Y168-P207 HydrophobicContact CE2-CG 3.65Å; Y168-Y210 HydrophobicContact CD2-CD1 4.46Å; Y168-Y210 HydrophobicContact CD2-CE1 4.35Å |
| 169 | E | 88.4 | Confident | 83.2 | Confident | 159 Ų | 159 | 73.2 Ų | 73.2 | 74% | 0.743 | 37% | 0.366 | S | S | * | . | trans | -105.8 | 131.8 | 175.6 | -63.5 | -167.6 | 167 | 0 | 0 | 109.7 | Q171 | E169-Q171 PolarHBondContact O-N 2.96Š| ||
| 170 | R | 86.9 | Confident | 84.5 | Confident | 117 Ų | 117 | 72.8 Ų | 72.8 | 44% | 0.442 | 37% | 0.372 | S | S | . | . | trans | -65.5 | 131.4 | -179.2 | 76.2 | -170.2 | 177.5 | -165.4 | -5.4 | 110.6 | E175 N177 | R170-E175 HydrophobicContact CB-CB 3.74Å; R170-N177 WeakPolarHBondContact CB-OD1 3.42Å; R170-N177 VanDerWaalsContact CG-OD1 3.3Å; R170-N177 WeakPolarHBondContact CG-OD1 3.41Å; R170-N177 PolarHBondContact N-OD1 3.23Å | ||
| 171 | Q | 75.4 | Confident | 85 | Confident | 174 Ų | 174 | 71 Ų | 71 | 81% | 0.813 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -98.2 | -33.8 | 177 | -55 | -176.6 | 10.2 | 0 | 0 | 110 | E169 E175 | E169-Q171 PolarHBondContact O-N 2.96Å; Q171-E175 WeakPolarHBondContact CA-OE2 3.39Å; Q171-E175 PolarHBondContact N-OE2 3.22Å |
| 172 | E | 73.1 | Confident | 85.3 | Confident | 104 Ų | 104 | 70 Ų | 70 | 49% | 0.486 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -111.1 | 160.4 | 177.6 | -146.2 | -132 | 88 | 0 | 0 | 113.5 | S174 E175 | E172-S174 PolarHBondContact O-N 3.1Å; E172-S174 WeakPolarHBondContact OE1-CB 3.24Å; E172-S174 PolarHBondContact OE1-N 3.48Å; E172-S174 PolarHBondContact OE1-OG 2.61Å; E172-E175 HydrophobicContact CB-CG 4.3Å; E172-E175 PolarHBondContact N-OE2 3.17Å; E172-E175 PolarHBondContact O-N 2.63Å |
| 173 | N | 71.9 | Confident | 85.4 | Confident | 147 Ų | 147 | 71.8 Ų | 71.8 | 79% | 0.786 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -6.1 | 175.4 | -61.1 | 119.2 | 0 | 0 | 0 | 114 | ||
| 174 | S | 81.4 | Confident | 85.3 | Confident | 40 Ų | 40 | 70.5 Ų | 70.5 | 28% | 0.28 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -10.3 | 174.2 | -60.3 | 0 | 0 | 0 | 0 | 114 | R91 E172 G204 W205 | R91-S174 PolarHBondContact NH2-O 3.42Å; E172-S174 PolarHBondContact O-N 3.1Å; E172-S174 WeakPolarHBondContact OE1-CB 3.24Å; E172-S174 PolarHBondContact OE1-N 3.48Å; E172-S174 PolarHBondContact OE1-OG 2.61Å; S174-G204 WeakPolarHBondContact O-CA 3.21Å; S174-W205 PolarHBondContact O-N 2.97Å |
| 175 | E | 89.4 | Confident | 85.3 | Confident | 25 Ų | 25 | 73.3 Ų | 73.3 | 12% | 0.117 | 39% | 0.394 | C | S | . | . | B | Isolated β-bridge | trans | -100.3 | 166.8 | -176.9 | -67.6 | 163.7 | 178.9 | 0 | 0 | 111.9 | Y168 R170 Q171 E172 W194 W205 | Y168-E175 PolarHBondContact OH-OE2 2.96Å; Y168-E175 VanDerWaalsContact OH-OE2 3.07Å; R170-E175 HydrophobicContact CB-CB 3.74Å; Q171-E175 WeakPolarHBondContact CA-OE2 3.39Å; Q171-E175 PolarHBondContact N-OE2 3.22Å; E172-E175 HydrophobicContact CB-CG 4.3Å; E172-E175 PolarHBondContact N-OE2 3.17Å; E172-E175 PolarHBondContact O-N 2.63Å; E175-W194 HydrophobicContact CG-CZ3 4.11Å; E175-W194 VanDerWaalsContact OE1-CH2 3.31Å; E175-W194 WeakPolarHBondContact OE1-CH2 3.39Å; E175-W194 WeakPolarHBondContact OE1-CZ3 3.39Å; E175-W205 VanDerWaalsContact CA-O 3.24Å; E175-W205 WeakPolarHBondContact CA-O 3.47Å; E175-W205 WeakPolarHBondContact CB-O 3.28Å; E175-W205 HydrophobicContact CG-CB 4.11Å |
| 176 | I | 88.8 | Confident | 85.2 | Confident | 4 Ų | 4 | 69.5 Ų | 69.5 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | trans | -127 | 154 | 171.6 | 54.2 | 172.3 | 0 | 0 | 0 | 111.4 | Y168 L178 V197 T199 Q202 W205 V206 | Y168-I176 WeakPolarHBondContact CD1-O 3.45Å; Y168-I176 WeakPolarHBondContact CE1-O 3.37Å; I176-L178 HydrophobicContact CD1-CD2 4.3Å; I176-V197 HydrophobicContact CD1-CG2 3.88Å; I176-T199 HydrophobicContact CD1-CG2 3.82Å; I176-Q202 HydrophobicContact CG2-CB 3.61Å; I176-W205 PolarHBondContact N-O 3.17Å; I176-V206 HydrophobicContact CD1-CG1 4.42Å; I176-V206 HydrophobicContact CG1-CG1 3.65Å | ||
| 177 | N | 87.6 | Confident | 85.2 | Confident | 74 Ų | 74 | 71.2 Ų | 71.2 | 40% | 0.396 | 37% | 0.374 | S | S | . | . | trans | -72.9 | 146.8 | 169.9 | -56.2 | -29.8 | 0 | 0 | 0 | 109.5 | Y168 R170 | Y168-N177 CarbonylContact O-C 3.47Å; Y168-N177 VanDerWaalsContact O-CA 3.23Å; Y168-N177 WeakPolarHBondContact O-CA 3.41Å; R170-N177 WeakPolarHBondContact CB-OD1 3.42Å; R170-N177 VanDerWaalsContact CG-OD1 3.3Å; R170-N177 WeakPolarHBondContact CG-OD1 3.41Å; R170-N177 PolarHBondContact N-OD1 3.23Å | ||
| 178 | L | 88.8 | Confident | 84.9 | Confident | 4 Ų | 4 | 71.2 Ų | 71.2 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -127.8 | 149.5 | 166.6 | -56.3 | 178.6 | 0 | 0 | 0 | 109.8 | A164 N167 Y168 I176 E182 V184 T199 V206 L211 | A164-L178 HydrophobicContact CB-CB 3.89Å; A164-L178 HydrophobicContact CB-CD1 4.02Å; N167-L178 WeakPolarHBondContact CA-O 3.44Å; Y168-L178 PolarHBondContact N-O 2.82Å; Y168-L178 PolarHBondContact O-N 3.12Å; I176-L178 HydrophobicContact CD1-CD2 4.3Å; L178-E182 WeakPolarHBondContact CA-OE2 3.34Å; L178-V184 HydrophobicContact CD2-CG1 3.58Å; L178-T199 HydrophobicContact CD2-CG2 3.74Å; L178-V206 HydrophobicContact CD1-CB 3.91Å; L178-V206 HydrophobicContact CD1-CG1 3.76Å; L178-V206 HydrophobicContact CD1-CG2 4.07Å; L178-V206 HydrophobicContact CD2-CG1 4.19Å; L178-V206 HydrophobicContact CG-CG1 3.85Å; L178-L211 HydrophobicContact CD1-CD2 3.8Å |
| 179 | K | 86.9 | Confident | 84.8 | Confident | 148 Ų | 148 | 74.5 Ų | 74.5 | 64% | 0.643 | 39% | 0.385 | S | S | * | . | trans | -107.4 | 146.8 | 167.5 | -64.8 | 177.5 | -178.2 | 174.9 | 0 | 110.8 | A164 N167 G181 E182 | A164-K179 WeakPolarHBondContact CB-O 3.41Å; N167-K179 WeakPolarHBondContact OD1-CA 3.32Å; K179-G181 PolarHBondContact O-N 2.82Å; K179-E182 HydrophobicContact CB-CB 4.36Å; K179-E182 PolarHBondContact N-OE2 2.83Å; K179-E182 WeakPolarHBondContact O-CB 3.42Å; K179-E182 PolarHBondContact O-N 2.88Å | ||
| 180 | A | 86.6 | Confident | 84.2 | Confident | 57 Ų | 57 | 68.4 Ų | 68.4 | 47% | 0.471 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 127.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | A164 N167 | A164-A180 CarbonylContact O-C 3.55Å; A164-A180 WeakPolarHBondContact O-CA 3.36Å; N167-A180 PolarHBondContact OD1-N 3.4Å |
| 181 | G | 81.6 | Confident | 83.1 | Confident | 56 Ų | 56 | 72.8 Ų | 72.8 | 58% | 0.577 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.7 | -5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | A164 K179 | A164-G181 PolarHBondContact O-N 3.04Å; K179-G181 PolarHBondContact O-N 2.82Å |
| 182 | E | 88.4 | Confident | 82.8 | Confident | 53 Ų | 53 | 68.6 Ų | 68.6 | 25% | 0.248 | 38% | 0.375 | C | S | . | . | trans | -75.3 | 126.8 | 178 | -171 | 169.6 | -178.8 | 0 | 0 | 111.2 | A164 L178 K179 T199 | A164-E182 HydrophobicContact CB-CB 4.37Å; A164-E182 PolarHBondContact N-O 3.32Å; L178-E182 WeakPolarHBondContact CA-OE2 3.34Å; K179-E182 HydrophobicContact CB-CB 4.36Å; K179-E182 PolarHBondContact N-OE2 2.83Å; K179-E182 WeakPolarHBondContact O-CB 3.42Å; K179-E182 PolarHBondContact O-N 2.88Å; E182-T199 HydrophobicContact CG-CG2 4.43Å; E182-T199 WeakPolarHBondContact OE1-CG2 3.3Å | ||
| 183 | T | 88.4 | Confident | 83.2 | Confident | 60 Ų | 60 | 65.4 Ų | 65.4 | 37% | 0.368 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 135.2 | 176.3 | 50.5 | 0 | 0 | 0 | 0 | 111.4 | Y162 V163 | Y162-T183 CarbonylContact O-C 3.48Å; Y162-T183 WeakPolarHBondContact O-CA 3.2Å; V163-T183 HydrophobicContact CG2-CG2 3.73Å |
| 184 | V | 89.7 | Confident | 83.9 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.012 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 144.8 | 179 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | Q161 Y162 L178 V197 S198 T199 L211 | Q161-V184 WeakPolarHBondContact CA-O 3.38Å; Y162-V184 PolarHBondContact N-O 3.46Å; Y162-V184 PolarHBondContact O-N 3Å; L178-V184 HydrophobicContact CD2-CG1 3.58Å; V184-V197 HydrophobicContact CB-CB 4.01Å; V184-V197 HydrophobicContact CB-CG2 3.88Å; V184-V197 HydrophobicContact CG1-CG2 4.11Å; V184-V197 HydrophobicContact CG2-CB 3.95Å; V184-V197 HydrophobicContact CG2-CG1 4.11Å; V184-V197 HydrophobicContact CG2-CG2 3.98Å; V184-S198 WeakPolarHBondContact CA-O 3.38Å; V184-T199 HydrophobicContact CG1-CG2 3.7Å; V184-L211 HydrophobicContact CG2-CD1 4.23Å; V184-L211 HydrophobicContact CG2-CD2 3.58Å |
| 185 | D | 88.1 | Confident | 84.3 | Confident | 59 Ų | 59 | 62.7 Ų | 62.7 | 32% | 0.316 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 117.1 | 173 | -68.7 | -25.1 | 0 | 0 | 0 | 109.6 | L159 I187 V197 S198 | L159-D185 HydrophobicContact CB-CB 3.78Å; L159-D185 HydrophobicContact CD1-CB 3.65Å; L159-D185 HydrophobicContact CG-CB 4.35Å; D185-I187 PolarHBondContact O-N 2.78Å; D185-V197 CarbonylContact O-C 3.53Å; D185-V197 VanDerWaalsContact O-CA 3.27Å; D185-V197 WeakPolarHBondContact O-CA 3.2Å; D185-S198 PolarHBondContact N-O 3.08Å; D185-S198 PolarHBondContact O-N 3.21Å |
| 186 | V | 86.6 | Confident | 84.2 | Confident | 12 Ų | 12 | 62.3 Ų | 62.3 | 7% | 0.073 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 117.4 | 179.1 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | E160 Y162 K189 W195 V197 L211 | E160-V186 PolarHBondContact O-N 3.37Å; E160-V186 VanDerWaalsContact O-N 3.08Å; Y162-V186 HydrophobicContact CD2-CB 4.22Å; Y162-V186 HydrophobicContact CD2-CG2 3.32Å; Y162-V186 HydrophobicContact CE2-CG2 3.95Å; Y162-V186 HydrophobicContact CG-CG2 3.81Å; V186-K189 HydrophobicContact CG1-CD 4.3Å; V186-K189 HydrophobicContact CG1-CG 3.5Å; V186-W195 HydrophobicContact CG1-CB 4.35Å; V186-W195 HydrophobicContact CG1-CD2 4.37Å; V186-W195 HydrophobicContact CG1-CE3 4.02Å; V186-W195 HydrophobicContact CG2-CE3 3.99Å; V186-W195 HydrophobicContact CG2-CZ3 4.43Å; V186-V197 HydrophobicContact CB-CG1 4.35Å; V186-V197 HydrophobicContact CG1-CG1 4.4Å; V186-V197 HydrophobicContact CG2-CG1 3.86Å; V186-L211 HydrophobicContact CG2-CD1 4.36Å |
| 187 | I | 83.9 | Confident | 84.2 | Confident | 77 Ų | 77 | 62.1 Ų | 62.1 | 40% | 0.395 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -40.3 | -176.9 | -65.1 | 174.9 | 0 | 0 | 0 | 111.5 | L159 D185 F196 | L159-I187 HydrophobicContact CD1-CG1 4.36Å; D185-I187 PolarHBondContact O-N 2.78Å; I187-F196 HydrophobicContact CB-CD1 4.07Å; I187-F196 HydrophobicContact CD1-CD1 4.47Å; I187-F196 HydrophobicContact CD1-CE1 4.41Å; I187-F196 HydrophobicContact CG2-CD1 4.1Å; I187-F196 PolarHBondContact N-O 2.8Å |
| 188 | E | 83.5 | Confident | 84.1 | Confident | 111 Ų | 111 | 59.6 Ų | 59.6 | 52% | 0.519 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 111.1 | -178.4 | -165 | 172.9 | 167.1 | 0 | 0 | 111.2 | W195 F196 | E188-W195 CarbonylContact O-C 3.58Å; E188-W195 WeakPolarHBondContact O-CA 3.07Å; E188-F196 HydrophobicContact CB-CB 3.84Å; E188-F196 PolarHBondContact N-O 3.01Å; E188-F196 VanDerWaalsContact N-O 3.13Å; E188-F196 PolarHBondContact O-N 3.41Å |
| 189 | K | 85.3 | Confident | 83.9 | Confident | 82 Ų | 82 | 60 Ų | 60 | 36% | 0.357 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 104.5 | 174.8 | -67.9 | -179.7 | 170.3 | 171.2 | 0 | 109.9 | E160 Y162 V186 W195 | E160-K189 IonicContact OE1-NZ 3.89Å; E160-K189 PolarHBondContact OE1-NZ 3.02Å; E160-K189 IonicContact OE2-NZ 3.67Å; E160-K189 PolarHBondContact OE2-NZ 3.23Å; Y162-K189 PolarHBondContact OH-NZ 3.08Å; V186-K189 HydrophobicContact CG1-CD 4.3Å; V186-K189 HydrophobicContact CG1-CG 3.5Å; K189-W195 HydrophobicContact CB-CD2 4.36Å; K189-W195 HydrophobicContact CB-CG 4.33Å; K189-W195 HydrophobicContact CD-CD2 4.46Å; K189-W195 HydrophobicContact CD-CH2 4.28Å; K189-W195 HydrophobicContact CD-CZ2 4.07Å; K189-W195 HydrophobicContact CG-CD2 3.79Å; K189-W195 HydrophobicContact CG-CE3 4.21Å; K189-W195 HydrophobicContact CG-CG 4.11Å; K189-W195 HydrophobicContact CG-CZ2 4.2Å |
| 190 | S | 76.3 | Confident | 83.4 | Confident | 31 Ų | 31 | 58.7 Ų | 58.7 | 22% | 0.217 | 34% | 0.34 | C | S | . | . | trans | -87.4 | 144.4 | 173.7 | -46.5 | 0 | 0 | 0 | 0 | 112.2 | S192 G193 W194 W205 | S190-S192 VanDerWaalsContact CB-OG 3.28Å; S190-S192 WeakPolarHBondContact CB-OG 3.4Å; S190-S192 PolarHBondContact O-N 2.99Å; S190-G193 PolarHBondContact O-N 2.88Å; S190-W194 WeakPolarHBondContact CB-O 3.4Å; S190-W194 PolarHBondContact N-O 2.85Å; S190-W194 PolarHBondContact OG-O 2.95Å; S190-W205 WeakPolarHBondContact OG-CZ3 3.42Å | ||
| 191 | E | 63.9 | Low | 82.7 | Confident | 209 Ų | 209 | 63.7 Ų | 63.7 | 98% | 0.977 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -11.2 | 174.1 | -62.6 | 177.7 | 176.8 | 0 | 0 | 113 | G193 | E191-G193 PolarHBondContact O-N 3.05Š|
| 192 | S | 69.1 | Low | 82.5 | Confident | 86 Ų | 86 | 65 Ų | 65 | 60% | 0.601 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -0.6 | 174 | 56 | 0 | 0 | 0 | 0 | 114.6 | S190 W194 | S190-S192 VanDerWaalsContact CB-OG 3.28Å; S190-S192 WeakPolarHBondContact CB-OG 3.4Å; S190-S192 PolarHBondContact O-N 2.99Å; S192-W194 VanDerWaalsContact C-N 3.28Å |
| 193 | G | 80.5 | Confident | 82.5 | Confident | 36 Ų | 36 | 67.2 Ų | 67.2 | 37% | 0.371 | 36% | 0.355 | S | S | . | . | S | Bend | trans | 78.8 | 8.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S190 E191 A208 | S190-G193 PolarHBondContact O-N 2.88Å; E191-G193 PolarHBondContact O-N 3.05Å; G193-A208 WeakPolarHBondContact O-CB 3.28Å; G193-A208 PolarHBondContact O-N 2.93Å |
| 194 | W | 86.7 | Confident | 82.3 | Confident | 88 Ų | 88 | 64.3 Ų | 64.3 | 33% | 0.333 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 124.6 | 176.6 | -71.3 | 86.4 | 0 | 0 | 0 | 110.7 | Y168 E175 S190 S192 W205 V206 P207 | Y168-W194 WeakPolarHBondContact OH-CH2 3.45Å; Y168-W194 WeakPolarHBondContact OH-CZ3 3.5Å; E175-W194 HydrophobicContact CG-CZ3 4.11Å; E175-W194 VanDerWaalsContact OE1-CH2 3.31Å; E175-W194 WeakPolarHBondContact OE1-CH2 3.39Å; E175-W194 WeakPolarHBondContact OE1-CZ3 3.39Å; S190-W194 WeakPolarHBondContact CB-O 3.4Å; S190-W194 PolarHBondContact N-O 2.85Å; S190-W194 PolarHBondContact OG-O 2.95Å; S192-W194 VanDerWaalsContact C-N 3.28Å; W194-W205 HydrophobicContact CB-CE3 4.19Å; W194-W205 HydrophobicContact CE3-CB 4.12Å; W194-W205 WeakPolarHBondContact O-CZ3 3.35Å; W194-V206 VanDerWaalsContact CE3-C 3.48Å; W194-P207 HydrophobicContact CE3-CG 4.26Å; W194-P207 HydrophobicContact CH2-CG 3.96Å; W194-P207 HydrophobicContact CZ2-CG 4.44Å; W194-P207 HydrophobicContact CZ3-CG 3.84Å |
| 195 | W | 91.3 | Very high | 82.4 | Confident | 42 Ų | 42 | 67.6 Ų | 67.6 | 16% | 0.159 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 140 | -179.4 | -66.9 | -0.6 | 0 | 0 | 0 | 110.1 | Y162 V186 E188 K189 V197 W205 V206 A208 L211 | Y162-W195 AromaticContact CD1-CZ3 3.84Å; Y162-W195 HydrophobicContact CD1-CZ3 3.84Å; Y162-W195 HydrophobicContact CD2-CZ3 4.49Å; Y162-W195 AromaticContact CE1-CH2 3.9Å; Y162-W195 HydrophobicContact CE1-CH2 3.9Å; Y162-W195 AromaticContact CE1-CZ3 3.5Å; Y162-W195 HydrophobicContact CE1-CZ3 3.5Å; Y162-W195 HydrophobicContact CE2-CZ3 4.16Å; Y162-W195 HydrophobicContact CG-CZ3 4.35Å; Y162-W195 AromaticContact CZ-CH2 3.99Å; Y162-W195 AromaticContact CZ-CZ3 3.67Å; V186-W195 HydrophobicContact CG1-CB 4.35Å; V186-W195 HydrophobicContact CG1-CD2 4.37Å; V186-W195 HydrophobicContact CG1-CE3 4.02Å; V186-W195 HydrophobicContact CG2-CE3 3.99Å; V186-W195 HydrophobicContact CG2-CZ3 4.43Å; E188-W195 CarbonylContact O-C 3.58Å; E188-W195 WeakPolarHBondContact O-CA 3.07Å; K189-W195 HydrophobicContact CB-CD2 4.36Å; K189-W195 HydrophobicContact CB-CG 4.33Å; K189-W195 HydrophobicContact CD-CD2 4.46Å; K189-W195 HydrophobicContact CD-CH2 4.28Å; K189-W195 HydrophobicContact CD-CZ2 4.07Å; K189-W195 HydrophobicContact CG-CD2 3.79Å; K189-W195 HydrophobicContact CG-CE3 4.21Å; K189-W195 HydrophobicContact CG-CG 4.11Å; K189-W195 HydrophobicContact CG-CZ2 4.2Å; W195-V197 HydrophobicContact CB-CG1 4.24Å; W195-W205 VanDerWaalsContact C-CE3 3.44Å; W195-W205 WeakPolarHBondContact O-CA 3.35Å; W195-V206 PolarHBondContact N-O 2.89Å; W195-V206 PolarHBondContact O-N 2.75Å; W195-A208 HydrophobicContact CD2-CB 3.69Å; W195-A208 VanDerWaalsContact CE2-CB 3.43Å; W195-A208 HydrophobicContact CE3-CB 4.36Å; W195-A208 HydrophobicContact CG-CB 3.9Å; W195-A208 HydrophobicContact CZ2-CB 3.9Å; W195-L211 HydrophobicContact CE3-CB 4.46Å; W195-L211 HydrophobicContact CE3-CD1 3.74Å; W195-L211 HydrophobicContact CZ3-CB 4.33Å; W195-L211 HydrophobicContact CZ3-CD1 4.37Å |
| 196 | F | 87 | Confident | 82.5 | Confident | 18 Ų | 18 | 64.8 Ų | 64.8 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 120.2 | 173.6 | -167.4 | -111.3 | 0 | 0 | 0 | 108.5 | R91 I187 E188 Q203 G204 W205 | R91-F196 VanDerWaalsContact NH2-CE2 3.3Å; I187-F196 HydrophobicContact CB-CD1 4.07Å; I187-F196 HydrophobicContact CD1-CD1 4.47Å; I187-F196 HydrophobicContact CD1-CE1 4.41Å; I187-F196 HydrophobicContact CG2-CD1 4.1Å; I187-F196 PolarHBondContact N-O 2.8Å; E188-F196 HydrophobicContact CB-CB 3.84Å; E188-F196 PolarHBondContact N-O 3.01Å; E188-F196 VanDerWaalsContact N-O 3.13Å; E188-F196 PolarHBondContact O-N 3.41Å; F196-Q203 HydrophobicContact CE1-CB 4.31Å; F196-Q203 HydrophobicContact CZ-CB 3.8Å; F196-G204 VanDerWaalsContact CD2-C 3.4Å; F196-G204 VanDerWaalsContact CD2-O 3.3Å; F196-G204 WeakPolarHBondContact CD2-O 3.43Å; F196-G204 VanDerWaalsContact CE2-CA 3.49Å; F196-W205 HydrophobicContact CB-CD2 4.25Å; F196-W205 HydrophobicContact CB-CE3 3.8Å; F196-W205 HydrophobicContact CB-CH2 3.92Å; F196-W205 HydrophobicContact CB-CZ2 4.37Å; F196-W205 HydrophobicContact CB-CZ3 3.62Å; F196-W205 AromaticContact CD2-CD2 4Å; F196-W205 HydrophobicContact CD2-CD2 4Å; F196-W205 HydrophobicContact CD2-CE3 4.39Å; F196-W205 HydrophobicContact CD2-CG 4.26Å; F196-W205 HydrophobicContact CD2-CZ2 4.48Å |
| 197 | V | 89.2 | Confident | 82.6 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 156.7 | -174.3 | -46.8 | 0 | 0 | 0 | 0 | 111.8 | I176 V184 D185 V186 W195 Q203 G204 V206 L211 | I176-V197 HydrophobicContact CD1-CG2 3.88Å; V184-V197 HydrophobicContact CB-CB 4.01Å; V184-V197 HydrophobicContact CB-CG2 3.88Å; V184-V197 HydrophobicContact CG1-CG2 4.11Å; V184-V197 HydrophobicContact CG2-CB 3.95Å; V184-V197 HydrophobicContact CG2-CG1 4.11Å; V184-V197 HydrophobicContact CG2-CG2 3.98Å; D185-V197 CarbonylContact O-C 3.53Å; D185-V197 VanDerWaalsContact O-CA 3.27Å; D185-V197 WeakPolarHBondContact O-CA 3.2Å; V186-V197 HydrophobicContact CB-CG1 4.35Å; V186-V197 HydrophobicContact CG1-CG1 4.4Å; V186-V197 HydrophobicContact CG2-CG1 3.86Å; W195-V197 HydrophobicContact CB-CG1 4.24Å; V197-Q203 WeakPolarHBondContact O-CA 3.48Å; V197-G204 PolarHBondContact N-O 2.98Å; V197-G204 PolarHBondContact O-N 3.18Å; V197-V206 HydrophobicContact CB-CG2 4.41Å; V197-V206 HydrophobicContact CG1-CG2 3.79Å; V197-V206 HydrophobicContact CG2-CG1 4.14Å; V197-V206 HydrophobicContact CG2-CG2 3.69Å; V197-L211 HydrophobicContact CG1-CD1 3.84Å |
| 198 | S | 84.4 | Confident | 82.7 | Confident | 21 Ų | 21 | 62.2 Ų | 62.2 | 15% | 0.147 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 124.1 | 167.1 | -155.6 | 0 | 0 | 0 | 0 | 109.4 | V184 D185 Q203 | V184-S198 WeakPolarHBondContact CA-O 3.38Å; D185-S198 PolarHBondContact N-O 3.08Å; D185-S198 PolarHBondContact O-N 3.21Å; S198-Q203 VanDerWaalsContact OG-CG 3.22Å; S198-Q203 WeakPolarHBondContact OG-CG 3.29Å; S198-Q203 PolarHBondContact OG-NE2 2.84Å |
| 199 | T | 84.7 | Confident | 82.9 | Confident | 11 Ų | 11 | 62.8 Ų | 62.8 | 7% | 0.067 | 34% | 0.336 | C | S | . | . | trans | -80.1 | 177.3 | 150.6 | 59.3 | 0 | 0 | 0 | 0 | 108.4 | I176 L178 E182 V184 E201 Q202 | I176-T199 HydrophobicContact CD1-CG2 3.82Å; L178-T199 HydrophobicContact CD2-CG2 3.74Å; E182-T199 HydrophobicContact CG-CG2 4.43Å; E182-T199 WeakPolarHBondContact OE1-CG2 3.3Å; V184-T199 HydrophobicContact CG1-CG2 3.7Å; T199-E201 PolarHBondContact O-N 3.49Å; T199-Q202 PolarHBondContact N-O 2.64Å; T199-Q202 PolarHBondContact OG1-N 2.8Å; T199-Q202 VanDerWaalsContact OG1-N 3.11Å; T199-Q202 PolarHBondContact OG1-O 2.79Å | ||
| 200 | S | 76.3 | Confident | 82.9 | Confident | 121 Ų | 121 | 63 Ų | 63 | 85% | 0.846 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -64.2 | -20.8 | 174.2 | 52.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 201 | E | 72.3 | Confident | 83.6 | Confident | 163 Ų | 163 | 62.3 Ų | 62.3 | 76% | 0.762 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -111.6 | -32.1 | -177.5 | -62.2 | -171.6 | 173.9 | 0 | 0 | 114.3 | T199 | T199-E201 PolarHBondContact O-N 3.49Š|
| 202 | Q | 77.3 | Confident | 84.7 | Confident | 83 Ų | 83 | 57.3 Ų | 57.3 | 39% | 0.388 | 31% | 0.308 | S | S | . | . | trans | -143.2 | 160.7 | -165.8 | -63.8 | 177 | 60.7 | 0 | 0 | 112.7 | I176 T199 | I176-Q202 HydrophobicContact CG2-CB 3.61Å; T199-Q202 PolarHBondContact N-O 2.64Å; T199-Q202 PolarHBondContact OG1-N 2.8Å; T199-Q202 VanDerWaalsContact OG1-N 3.11Å; T199-Q202 PolarHBondContact OG1-O 2.79Å | ||
| 203 | Q | 87.9 | Confident | 85.4 | Confident | 99 Ų | 99 | 56.2 Ų | 56.2 | 46% | 0.463 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 117.4 | -179.6 | -74.8 | -173.2 | -8.9 | 0 | 0 | 112.4 | R91 F196 V197 S198 | R91-Q203 PolarHBondContact NH1-O 2.77Å; F196-Q203 HydrophobicContact CE1-CB 4.31Å; F196-Q203 HydrophobicContact CZ-CB 3.8Å; V197-Q203 WeakPolarHBondContact O-CA 3.48Å; S198-Q203 VanDerWaalsContact OG-CG 3.22Å; S198-Q203 WeakPolarHBondContact OG-CG 3.29Å; S198-Q203 PolarHBondContact OG-NE2 2.84Å |
| 204 | G | 84.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 172 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S174 F196 V197 | S174-G204 WeakPolarHBondContact O-CA 3.21Å; F196-G204 VanDerWaalsContact CD2-C 3.4Å; F196-G204 VanDerWaalsContact CD2-O 3.3Å; F196-G204 WeakPolarHBondContact CD2-O 3.43Å; F196-G204 VanDerWaalsContact CE2-CA 3.49Å; V197-G204 PolarHBondContact N-O 2.98Å; V197-G204 PolarHBondContact O-N 3.18Å |
| 205 | W | 90.9 | Very high | 82.3 | Confident | 71 Ų | 71 | 60.4 Ų | 60.4 | 27% | 0.269 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 144.3 | 165.4 | -64.4 | 109 | 0 | 0 | 0 | 110.8 | S174 E175 I176 S190 W194 W195 F196 | S174-W205 PolarHBondContact O-N 2.97Å; E175-W205 VanDerWaalsContact CA-O 3.24Å; E175-W205 WeakPolarHBondContact CA-O 3.47Å; E175-W205 WeakPolarHBondContact CB-O 3.28Å; E175-W205 HydrophobicContact CG-CB 4.11Å; I176-W205 PolarHBondContact N-O 3.17Å; S190-W205 WeakPolarHBondContact OG-CZ3 3.42Å; W194-W205 HydrophobicContact CB-CE3 4.19Å; W194-W205 HydrophobicContact CE3-CB 4.12Å; W194-W205 WeakPolarHBondContact O-CZ3 3.35Å; W195-W205 VanDerWaalsContact C-CE3 3.44Å; W195-W205 WeakPolarHBondContact O-CA 3.35Å; F196-W205 HydrophobicContact CB-CD2 4.25Å; F196-W205 HydrophobicContact CB-CE3 3.8Å; F196-W205 HydrophobicContact CB-CH2 3.92Å; F196-W205 HydrophobicContact CB-CZ2 4.37Å; F196-W205 HydrophobicContact CB-CZ3 3.62Å; F196-W205 AromaticContact CD2-CD2 4Å; F196-W205 HydrophobicContact CD2-CD2 4Å; F196-W205 HydrophobicContact CD2-CE3 4.39Å; F196-W205 HydrophobicContact CD2-CG 4.26Å; F196-W205 HydrophobicContact CD2-CZ2 4.48Å |
| 206 | V | 90.5 | Very high | 79.9 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 154.5 | 172.5 | -60.2 | 0 | 0 | 0 | 0 | 109 | Y168 I176 L178 W194 W195 V197 L211 | Y168-V206 HydrophobicContact CD1-CB 4.32Å; Y168-V206 HydrophobicContact CD1-CG1 4.09Å; Y168-V206 HydrophobicContact CE1-CB 4.39Å; Y168-V206 HydrophobicContact CE1-CG1 4.21Å; I176-V206 HydrophobicContact CD1-CG1 4.42Å; I176-V206 HydrophobicContact CG1-CG1 3.65Å; L178-V206 HydrophobicContact CD1-CB 3.91Å; L178-V206 HydrophobicContact CD1-CG1 3.76Å; L178-V206 HydrophobicContact CD1-CG2 4.07Å; L178-V206 HydrophobicContact CD2-CG1 4.19Å; L178-V206 HydrophobicContact CG-CG1 3.85Å; W194-V206 VanDerWaalsContact CE3-C 3.48Å; W195-V206 PolarHBondContact N-O 2.89Å; W195-V206 PolarHBondContact O-N 2.75Å; V197-V206 HydrophobicContact CB-CG2 4.41Å; V197-V206 HydrophobicContact CG1-CG2 3.79Å; V197-V206 HydrophobicContact CG2-CG1 4.14Å; V197-V206 HydrophobicContact CG2-CG2 3.69Å; V206-L211 HydrophobicContact CG2-CD1 3.75Å; V206-L211 HydrophobicContact CG2-CG 4.37Å |
| 207 | P | 88.8 | Confident | 77.4 | Confident | 15 Ų | 15 | 67 Ų | 67 | 10% | 0.097 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 134.1 | 178 | -12.4 | 27.1 | 0 | 0 | 0 | 110.9 | Y168 W194 T209 Y210 | Y168-P207 HydrophobicContact CD2-CG 3.99Å; Y168-P207 HydrophobicContact CE2-CG 3.65Å; W194-P207 HydrophobicContact CE3-CG 4.26Å; W194-P207 HydrophobicContact CH2-CG 3.96Å; W194-P207 HydrophobicContact CZ2-CG 4.44Å; W194-P207 HydrophobicContact CZ3-CG 3.84Å; P207-T209 PolarHBondContact O-N 3.19Å; P207-Y210 HydrophobicContact CB-CD2 3.85Å; P207-Y210 HydrophobicContact CB-CE2 4.38Å; P207-Y210 HydrophobicContact CG-CD2 4.02Å; P207-Y210 HydrophobicContact CG-CE2 4.33Å; P207-Y210 PolarHBondContact O-N 3.33Å |
| 208 | A | 86.8 | Confident | 74.7 | Confident | 19 Ų | 19 | 76.7 Ų | 76.7 | 16% | 0.157 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -59.7 | -27.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G193 W195 Y210 L211 | G193-A208 WeakPolarHBondContact O-CB 3.28Å; G193-A208 PolarHBondContact O-N 2.93Å; W195-A208 HydrophobicContact CD2-CB 3.69Å; W195-A208 VanDerWaalsContact CE2-CB 3.43Å; W195-A208 HydrophobicContact CE3-CB 4.36Å; W195-A208 HydrophobicContact CG-CB 3.9Å; W195-A208 HydrophobicContact CZ2-CB 3.9Å; A208-Y210 PolarHBondContact O-N 3.4Å; A208-L211 PolarHBondContact O-N 3.24Å |
| 209 | T | 88.3 | Confident | 72.3 | Confident | 124 Ų | 124 | 83.7 Ų | 83.7 | 76% | 0.761 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -68.4 | -12.7 | 177.1 | 47 | 0 | 0 | 0 | 0 | 114.1 | P207 | P207-T209 PolarHBondContact O-N 3.19Š|
| 210 | Y | 85.2 | Confident | 69.8 | Low | 87 Ų | 87 | 88.8 Ų | 88.8 | 34% | 0.341 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -96.1 | 3.4 | 177.3 | -75.6 | -114.5 | 0 | 0 | 0 | 112.1 | A164 V165 A166 N167 Y168 P207 A208 | A164-Y210 CarbonylContact C-O 3.55Å; A164-Y210 VanDerWaalsContact CA-O 3.25Å; A164-Y210 WeakPolarHBondContact CA-O 3.32Å; V165-Y210 PolarHBondContact N-O 3.06Å; A166-Y210 HydrophobicContact CB-CD1 3.79Å; A166-Y210 HydrophobicContact CB-CE1 3.95Å; N167-Y210 WeakPolarHBondContact O-CE1 3.42Å; Y168-Y210 HydrophobicContact CD2-CD1 4.46Å; Y168-Y210 HydrophobicContact CD2-CE1 4.35Å; P207-Y210 HydrophobicContact CB-CD2 3.85Å; P207-Y210 HydrophobicContact CB-CE2 4.38Å; P207-Y210 HydrophobicContact CG-CD2 4.02Å; P207-Y210 HydrophobicContact CG-CE2 4.33Å; P207-Y210 PolarHBondContact O-N 3.33Å; A208-Y210 PolarHBondContact O-N 3.4Å |
| 211 | L | 89 | Confident | 67.8 | Low | 16 Ų | 16 | 87 Ų | 87 | 8% | 0.084 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 129.7 | -173.9 | -63.4 | 178.7 | 0 | 0 | 0 | 112.2 | Y162 V163 A164 L178 V184 V186 W195 V197 V206 A208 | Y162-L211 HydrophobicContact CD1-CB 3.89Å; Y162-L211 HydrophobicContact CG-CB 4.34Å; V163-L211 WeakPolarHBondContact O-CA 3.44Å; A164-L211 HydrophobicContact CB-CD2 4.43Å; L178-L211 HydrophobicContact CD1-CD2 3.8Å; V184-L211 HydrophobicContact CG2-CD1 4.23Å; V184-L211 HydrophobicContact CG2-CD2 3.58Å; V186-L211 HydrophobicContact CG2-CD1 4.36Å; W195-L211 HydrophobicContact CE3-CB 4.46Å; W195-L211 HydrophobicContact CE3-CD1 3.74Å; W195-L211 HydrophobicContact CZ3-CB 4.33Å; W195-L211 HydrophobicContact CZ3-CD1 4.37Å; V197-L211 HydrophobicContact CG1-CD1 3.84Å; V206-L211 HydrophobicContact CG2-CD1 3.75Å; V206-L211 HydrophobicContact CG2-CG 4.37Å; A208-L211 PolarHBondContact O-N 3.24Å |
| 212 | D | 87.9 | Confident | 65.9 | Low | 103 Ų | 103 | 86.4 Ų | 86.4 | 55% | 0.551 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120 | 147.9 | 172.2 | -170.3 | 18.8 | 0 | 0 | 0 | 111.8 | Y162 V163 V165 Q214 | Y162-D212 CarbonylContact C-O 3.55Å; Y162-D212 VanDerWaalsContact CA-O 3.23Å; Y162-D212 WeakPolarHBondContact CA-O 3.47Å; Y162-D212 WeakPolarHBondContact CB-O 3.4Å; Y162-D212 VanDerWaalsContact CD1-O 3.24Å; Y162-D212 WeakPolarHBondContact CD1-O 3.22Å; V163-D212 PolarHBondContact N-O 2.87Å; V163-D212 PolarHBondContact O-N 2.88Å; V165-D212 HydrophobicContact CG2-CB 3.52Å; D212-Q214 PolarHBondContact O-N 2.78Å |
| 213 | S | 83 | Confident | 63.7 | Low | 63 Ų | 63 | 89.8 Ų | 89.8 | 44% | 0.441 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 108.2 | -167.1 | 51.6 | 0 | 0 | 0 | 0 | 112.4 | N215 | S213-N215 PolarHBondContact O-N 3.46Å |
| 214 | Q | 62.3 | Low | 61.1 | Low | 104 Ų | 104 | 89.4 Ų | 89.4 | 49% | 0.486 | 50% | 0.502 | S | S | . | . | trans | -85.7 | 62.5 | 176.7 | -174.7 | 152.9 | 79.6 | 0 | 0 | 111.7 | Q161 V163 D212 | Q161-Q214 PolarHBondContact O-N 2.69Å; Q161-Q214 VanDerWaalsContact O-N 3.07Å; V163-Q214 HydrophobicContact CG2-CB 3.82Å; V163-Q214 VanDerWaalsContact CG2-CD 3.43Å; V163-Q214 HydrophobicContact CG2-CG 4.23Å; V163-Q214 VanDerWaalsContact CG2-OE1 3.25Å; D212-Q214 PolarHBondContact O-N 2.78Å | ||
| 215 | N | 39.8 | Very low | 58.4 | Low | 108 Ų | 108 | 96.2 Ų | 96.2 | 58% | 0.578 | 54% | 0.544 | S | S | * | . | trans | -132.8 | 64.4 | 165.6 | -90.8 | -58.1 | 0 | 0 | 0 | 109.9 | S213 | S213-N215 PolarHBondContact O-N 3.46Š| ||
| 216 | G | 42.4 | Very low | 55.8 | Low | 75 Ų | 75 | 97.2 Ų | 97.2 | 77% | 0.773 | 56% | 0.562 | S | S | * | * | trans | -115.8 | 49.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 217 | T | 34.2 | Very low | 52.9 | Low | 125 Ų | 125 | 107.9 Ų | 107.9 | 77% | 0.767 | 60% | 0.602 | S | S | * | * | trans | -141 | 150.9 | 176.2 | 53.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 218 | R | 32.1 | Very low | 50 | Low | 203 Ų | 203 | 113.9 Ų | 113.9 | 77% | 0.766 | 64% | 0.638 | S | S | * | * | cis | -162.6 | 132 | -32.8 | -174.8 | 170.6 | 173.3 | 175.4 | -4.9 | 106.4 | D220 | R218-D220 IonicContact CZ-OD1 2.75Å; R218-D220 IonicContact NE-OD1 3.32Å; R218-D220 IonicContact NH2-OD1 3.74Å; R218-D220 PolarHBondContact NH2-OD1 3Å | ||
| 219 | D | 33.5 | Very low | 47.2 | Very low | 168 Ų | 168 | 116.7 Ų | 116.7 | 90% | 0.898 | 67% | 0.669 | S | S | * | * | trans | -131.6 | 140 | 158.7 | -118.9 | -25.4 | 0 | 0 | 0 | 107.8 | ||||
| 220 | D | 31.9 | Very low | 44.4 | Very low | 118 Ų | 118 | 119.4 Ų | 119.4 | 63% | 0.631 | 67% | 0.673 | S | S | * | * | trans | -86.4 | 158.8 | -177.4 | -110.8 | 8.4 | 0 | 0 | 0 | 109.2 | R218 | R218-D220 IonicContact CZ-OD1 2.75Å; R218-D220 IonicContact NE-OD1 3.32Å; R218-D220 IonicContact NH2-OD1 3.74Å; R218-D220 PolarHBondContact NH2-OD1 3Å | ||
| 221 | S | 34.4 | Very low | 41.9 | Very low | 83 Ų | 83 | 120.7 Ų | 120.7 | 58% | 0.58 | 69% | 0.69 | S | S | * | * | cis | -147.2 | 159.2 | 4.2 | -64.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 222 | D | 34.2 | Very low | 39.2 | Very low | 150 Ų | 150 | 126.9 Ų | 126.9 | 80% | 0.802 | 73% | 0.729 | S | S | * | * | 168.9 | 146.6 | 109.8 | -91.9 | -20.9 | 0 | 0 | 0 | 114.4 | |||||
| 223 | L | 31.1 | Very low | 36.8 | Very low | 154 Ų | 154 | 131.1 Ų | 131.1 | 81% | 0.806 | 74% | 0.742 | S | S | * | * | trans | -13.4 | 132.1 | -175 | -80.6 | 66.1 | 0 | 0 | 0 | 120.1 | ||||
| 224 | A | 31.7 | Very low | 34.8 | Very low | 91 Ų | 91 | 139.5 Ų | 139.5 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | -69.2 | 147.6 | 150.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 225 | T | 29.5 | Very low | 33.4 | Very low | 143 Ų | 143 | 146.9 Ų | 146.9 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | -162.7 | 159.9 | 127.3 | 10.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 226 | S | 36.3 | Very low | 33.1 | Very low | 93 Ų | 93 | 151 Ų | 151 | 65% | 0.65 | 80% | 0.8 | S | S | * | * | trans | -76.9 | 160.8 | -167.9 | 57.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 227 | R | 28.8 | Very low | 32.6 | Very low | 224 Ų | 224 | 152.2 Ų | 152.2 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | 113.2 | 119.1 | 147.9 | -65.6 | 177.8 | -177.5 | -177.1 | -0.3 | 117.4 | ||||
| 228 | T | 27.5 | Very low | 32.6 | Very low | 140 Ų | 140 | 153.7 Ų | 153.7 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | 43.2 | 123.2 | 137.7 | 61.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 229 | G | 29.2 | Very low | 32.8 | Very low | 78 Ų | 78 | 151.9 Ų | 151.9 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 160 | 93.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 230 | E | 28.9 | Very low | 32.9 | Very low | 181 Ų | 181 | 153.3 Ų | 153.3 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | 18.6 | 117.5 | 142.6 | -165.1 | 159.6 | -168.5 | 0 | 0 | 122.2 | ||||
| 231 | V | 31.8 | Very low | 33.2 | Very low | 115 Ų | 115 | 157.8 Ų | 157.8 | 70% | 0.697 | 81% | 0.812 | S | S | * | * | trans | 34.1 | 121.5 | 133.8 | -174.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 232 | T | 33.5 | Very low | 33.3 | Very low | 145 Ų | 145 | 162.5 Ų | 162.5 | 89% | 0.89 | 83% | 0.83 | S | S | * | * | -161.8 | 161.5 | 120.4 | 12.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 233 | K | 37.7 | Very low | 33.4 | Very low | 193 Ų | 193 | 162.4 Ų | 162.4 | 84% | 0.839 | 83% | 0.829 | S | S | * | * | trans | -92.3 | 165.4 | -175.1 | -65.9 | 167.9 | -179.4 | 165.4 | 0 | 112 | ||||
| 234 | R | 39.1 | Very low | 33.7 | Very low | 239 Ų | 239 | 166.9 Ų | 166.9 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | trans | 81.6 | 89 | 166.7 | -55.3 | 173.3 | 167.2 | 173.6 | -4.3 | 117.6 | ||||
| 235 | R | 34.2 | Very low | 33.9 | Very low | 259 Ų | 259 | 173.4 Ų | 173.4 | 98% | 0.977 | 84% | 0.841 | S | S | * | * | -179.4 | 63.9 | 124.5 | -96.7 | 160.6 | -177 | 178 | 2.4 | 113.3 | |||||
| 236 | K | 33.4 | Very low | 33.7 | Very low | 194 Ų | 194 | 178.2 Ų | 178.2 | 84% | 0.843 | 84% | 0.843 | S | S | * | * | trans | -138.6 | 49.9 | 168.9 | -152.4 | 164 | -173.2 | 171.6 | 0 | 112.4 | ||||
| 237 | A | 31.3 | Very low | 33.6 | Very low | 101 Ų | 101 | 179.5 Ų | 179.5 | 84% | 0.835 | 85% | 0.847 | S | S | * | * | trans | -122.4 | 44 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 238 | H | 33.5 | Very low | 33.8 | Very low | 155 Ų | 155 | 176.7 Ų | 176.7 | 72% | 0.718 | 85% | 0.848 | S | S | * | * | S | Bend | trans | -139.5 | -34.4 | 169.9 | -152.3 | -108.9 | 0 | 0 | 0 | 113.6 | K240 | H238-K240 PolarHBondContact O-N 3.4Š|
| 239 | L | 36.9 | Very low | 34 | Very low | 165 Ų | 165 | 173.2 Ų | 173.2 | 86% | 0.864 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -81.1 | 53.7 | -179.8 | -157.7 | 74 | 0 | 0 | 0 | 113.3 | ||
| 240 | K | 36.9 | Very low | 34.2 | Very low | 198 Ų | 198 | 173.2 Ų | 173.2 | 86% | 0.861 | 84% | 0.839 | S | S | * | * | trans | -144.6 | 31.7 | 177.5 | -82.5 | -157.1 | 172.2 | -170.8 | 0 | 114.2 | H238 | H238-K240 PolarHBondContact O-N 3.4Š| ||
| 241 | R | 36.4 | Very low | 34.5 | Very low | 213 Ų | 213 | 171 Ų | 171 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -123.9 | 2.8 | -176.7 | -79.3 | -172.1 | 176.8 | 141.1 | -3 | 117 | ||
| 242 | L | 37.9 | Very low | 34.4 | Very low | 182 Ų | 182 | 171.7 Ų | 171.7 | 95% | 0.953 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -125.1 | 12.5 | -179.4 | -77.2 | 175 | 0 | 0 | 0 | 115.4 | ||
| 243 | D | 36.3 | Very low | 34.3 | Very low | 148 Ų | 148 | 172.5 Ų | 172.5 | 79% | 0.791 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -118.7 | 63.2 | 179.7 | -173.2 | 30.8 | 0 | 0 | 0 | 111.7 | ||
| 244 | R | 36.7 | Very low | 34 | Very low | 247 Ų | 247 | 175.2 Ų | 175.2 | 93% | 0.932 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -153.1 | 28.9 | 178.8 | -81.2 | -155.3 | 168.3 | -155.1 | -6 | 114 | ||
| 245 | R | 36.4 | Very low | 33.7 | Very low | 229 Ų | 229 | 172.2 Ų | 172.2 | 86% | 0.864 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -145.4 | 27.4 | -179.5 | -144.3 | 174.5 | 67.2 | 179.9 | -0.3 | 117.6 | ||
| 246 | W | 24 | Very low | 33.6 | Very low | 244 Ų | 244 | 166.5 Ų | 166.5 | 92% | 0.924 | 82% | 0.821 | S | S | * | * | trans | -148.2 | 146.1 | 153.2 | -66.8 | 95.8 | 0 | 0 | 0 | 105.1 | ||||
| 247 | T | 35.3 | Very low | 33.7 | Very low | 119 Ų | 119 | 163 Ų | 163 | 73% | 0.73 | 82% | 0.821 | S | S | * | * | cis | -122.8 | 163 | 2.2 | 51.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 248 | L | 33.6 | Very low | 34.2 | Very low | 166 Ų | 166 | 167.2 Ų | 167.2 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -88.7 | 126.9 | 168.4 | -152.5 | 81.5 | 0 | 0 | 0 | 109.3 | I251 | L248-I251 HydrophobicContact CD1-CD1 4.07Š|
| 249 | G | 32.1 | Very low | 35.1 | Very low | 66 Ų | 66 | 165.1 Ų | 165.1 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | trans | 152 | -36.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I251 | G249-I251 PolarHBondContact O-N 3.13Š| ||
| 250 | G | 31.8 | Very low | 36.8 | Very low | 78 Ų | 78 | 159 Ų | 159 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -74.3 | 51.6 | 172 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 251 | I | 34.8 | Very low | 39 | Very low | 134 Ų | 134 | 154 Ų | 154 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | trans | -131.2 | 61.3 | 174.2 | -45.1 | -177.8 | 0 | 0 | 0 | 111 | L248 G249 | L248-I251 HydrophobicContact CD1-CD1 4.07Å; G249-I251 PolarHBondContact O-N 3.13Å | ||
| 252 | V | 31.1 | Very low | 41.3 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 79% | 0.794 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -135 | 127.1 | 148.2 | -177.5 | 0 | 0 | 0 | 0 | 107.6 | R254 | V252-R254 PolarHBondContact O-N 2.79Š|
| 253 | N | 31.4 | Very low | 43.7 | Very low | 162 Ų | 162 | 138.6 Ų | 138.6 | 87% | 0.866 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 36.7 | 67 | 170.4 | -74.2 | 2.4 | 0 | 0 | 0 | 119.2 | ||
| 254 | R | 31.1 | Very low | 46 | Very low | 249 Ų | 249 | 131.7 Ų | 131.7 | 94% | 0.94 | 65% | 0.647 | S | S | * | * | trans | -117 | 37.6 | 150.1 | -149.8 | -176.6 | -175.5 | -165.1 | 2.7 | 113.4 | V252 | V252-R254 PolarHBondContact O-N 2.79Š| ||
| 255 | Q | 32.5 | Very low | 48.3 | Very low | 177 Ų | 177 | 123.6 Ų | 123.6 | 83% | 0.827 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -136.2 | 42.7 | 179.7 | -161.2 | 159.6 | -50.1 | 0 | 0 | 114.3 | ||
| 256 | Q | 33 | Very low | 50.3 | Low | 139 Ų | 139 | 117 Ų | 117 | 65% | 0.65 | 60% | 0.601 | S | S | * | * | trans | -156.1 | 83.1 | 151.1 | -124.6 | 142.8 | 109.9 | 0 | 0 | 110.6 | E260 | Q256-E260 PolarHBondContact OE1-OE1 2.79Š| ||
| 257 | S | 34 | Very low | 53.2 | Low | 120 Ų | 120 | 109.3 Ų | 109.3 | 84% | 0.839 | 58% | 0.582 | S | S | * | * | trans | -120 | 44.4 | 165.8 | 72.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 258 | R | 41.7 | Very low | 55.4 | Low | 189 Ų | 189 | 104.7 Ų | 104.7 | 71% | 0.713 | 55% | 0.551 | S | S | * | * | S | Bend | -73 | 142.8 | 129.9 | -82.8 | -176.6 | 166.5 | -167.4 | -4.7 | 105.4 | E260 D316 | R258-E260 PolarHBondContact O-N 3.38Å; R258-D316 IonicContact NH1-OD2 2.77Å; R258-D316 PolarHBondContact NH1-OD2 3.23Å | |
| 259 | E | 54.1 | Low | 57.8 | Low | 111 Ų | 111 | 101.8 Ų | 101.8 | 52% | 0.519 | 54% | 0.541 | S | S | . | . | trans | -58.8 | 113.2 | 172 | -54.7 | 79.8 | -171.9 | 0 | 0 | 107.7 | K261 E285 | E259-K261 PolarHBondContact O-N 3.36Å; E259-E285 HydrophobicContact CB-CB 4.2Å; E259-E285 HydrophobicContact CB-CG 3.88Å | ||
| 260 | E | 71.8 | Confident | 60.2 | Low | 37 Ų | 37 | 100.7 Ų | 100.7 | 17% | 0.173 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 106 | 177.9 | -70.6 | -158.1 | 135.9 | 0 | 0 | 108 | Q256 R258 Y262 V286 K289 K313 | Q256-E260 PolarHBondContact OE1-OE1 2.79Å; R258-E260 PolarHBondContact O-N 3.38Å; E260-Y262 HydrophobicContact CB-CD2 4.17Å; E260-Y262 HydrophobicContact CB-CE2 3.79Å; E260-Y262 WeakPolarHBondContact O-CD2 3.33Å; E260-V286 PolarHBondContact O-N 3.31Å; E260-V286 VanDerWaalsContact O-N 3.09Å; E260-K289 IonicContact OE2-NZ 3.57Å; E260-K289 PolarHBondContact OE2-NZ 3.14Å; E260-K313 WeakPolarHBondContact OE1-CE 3.48Å; E260-K313 IonicContact OE1-NZ 3.83Å; E260-K313 PolarHBondContact OE1-NZ 3.42Å |
| 261 | K | 83.1 | Confident | 62.3 | Low | 92 Ų | 92 | 105.1 Ų | 105.1 | 40% | 0.4 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 120.3 | -179.5 | -73.9 | 175.3 | -156.1 | -73.1 | 0 | 109.6 | E259 T283 V284 E285 L314 | E259-K261 PolarHBondContact O-N 3.36Å; K261-T283 HydrophobicContact CB-CG2 3.56Å; K261-T283 HydrophobicContact CD-CG2 4.12Å; K261-T283 HydrophobicContact CG-CG2 3.81Å; K261-V284 WeakPolarHBondContact CA-O 3.34Å; K261-E285 HydrophobicContact CG-CG 4.23Å; K261-E285 IonicContact NZ-OE1 2.68Å; K261-E285 PolarHBondContact NZ-OE1 2.99Å; K261-L314 WeakPolarHBondContact O-CB 3.4Å; K261-L314 PolarHBondContact O-N 2.96Å |
| 262 | Y | 84.9 | Confident | 64 | Low | 14 Ų | 14 | 100.3 Ų | 100.3 | 6% | 0.055 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 137.3 | 179 | -83.3 | -106.7 | 0 | 0 | 0 | 109.4 | E260 T283 V284 V286 K289 W295 L311 K312 K313 | E260-Y262 HydrophobicContact CB-CD2 4.17Å; E260-Y262 HydrophobicContact CB-CE2 3.79Å; E260-Y262 WeakPolarHBondContact O-CD2 3.33Å; Y262-T283 WeakPolarHBondContact O-CA 3.43Å; Y262-V284 PolarHBondContact N-O 3.46Å; Y262-V284 PolarHBondContact O-N 3.44Å; Y262-V286 HydrophobicContact CD1-CG2 4.42Å; Y262-V286 HydrophobicContact CD2-CB 4.03Å; Y262-V286 HydrophobicContact CD2-CG2 3.31Å; Y262-V286 HydrophobicContact CE2-CB 4.14Å; Y262-V286 HydrophobicContact CE2-CG2 3.77Å; Y262-V286 HydrophobicContact CG-CG2 3.7Å; Y262-K289 PolarHBondContact OH-NZ 3.46Å; Y262-W295 AromaticContact CD1-CZ3 3.75Å; Y262-W295 HydrophobicContact CD1-CZ3 3.75Å; Y262-W295 HydrophobicContact CE1-CE3 4.3Å; Y262-W295 AromaticContact CE1-CH2 3.81Å; Y262-W295 HydrophobicContact CE1-CH2 3.81Å; Y262-W295 AromaticContact CE1-CZ3 3.28Å; Y262-W295 HydrophobicContact CE1-CZ3 3.28Å; Y262-W295 AromaticContact CZ-CZ3 3.74Å; Y262-L311 HydrophobicContact CD1-CB 3.89Å; Y262-L311 WeakPolarHBondContact CD1-O 3.29Å; Y262-L311 HydrophobicContact CG-CB 4.41Å; Y262-K312 CarbonylContact C-O 3.52Å; Y262-K312 VanDerWaalsContact CA-O 3.28Å; Y262-K312 WeakPolarHBondContact CA-O 3.45Å; Y262-K312 WeakPolarHBondContact CD1-O 3.38Å; Y262-K313 VanDerWaalsContact CD1-CA 3.4Å; Y262-K313 HydrophobicContact CD1-CB 4.05Å; Y262-K313 VanDerWaalsContact CE1-CA 3.4Å; Y262-K313 HydrophobicContact CE1-CB 3.49Å; Y262-K313 VanDerWaalsContact CE1-CB 3.49Å; Y262-K313 HydrophobicContact CE1-CG 4.21Å; Y262-K313 HydrophobicContact CE2-CB 4.42Å; Y262-K313 HydrophobicContact CE2-CG 4.26Å |
| 263 | L | 87.6 | Confident | 66 | Low | 58 Ų | 58 | 99.1 Ų | 99.1 | 30% | 0.304 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 132.5 | 171.7 | -83.9 | 175.3 | 0 | 0 | 0 | 110.5 | I265 G281 V282 K312 L314 | L263-I265 PolarHBondContact O-N 3.43Å; L263-G281 WeakPolarHBondContact CD2-O 3.42Å; L263-V282 WeakPolarHBondContact CA-O 3.4Å; L263-K312 PolarHBondContact N-O 2.63Å; L263-K312 PolarHBondContact O-N 2.71Å; L263-L314 HydrophobicContact CD1-CD1 3.63Å; L263-L314 HydrophobicContact CG-CD1 4.07Å |
| 264 | T | 85 | Confident | 68.3 | Low | 4 Ų | 4 | 97.3 Ų | 97.3 | 3% | 0.025 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 116.8 | 175.3 | 59.5 | 0 | 0 | 0 | 0 | 110 | F278 E279 G281 V282 V284 Y310 L311 | T264-F278 HydrophobicContact CG2-CB 4.17Å; T264-F278 HydrophobicContact CG2-CD2 3.17Å; T264-F278 HydrophobicContact CG2-CE2 3.6Å; T264-F278 HydrophobicContact CG2-CG 3.74Å; T264-F278 HydrophobicContact CG2-CZ 4.48Å; T264-E279 WeakPolarHBondContact CB-O 3.46Å; T264-E279 PolarHBondContact OG1-O 3.33Å; T264-G281 PolarHBondContact O-N 2.83Å; T264-G281 PolarHBondContact OG1-N 2.84Å; T264-V282 WeakPolarHBondContact CG2-O 3.26Å; T264-V282 PolarHBondContact N-O 3.19Å; T264-V282 PolarHBondContact OG1-N 3.33Å; T264-V282 PolarHBondContact OG1-O 2.95Å; T264-V284 HydrophobicContact CG2-CG1 3.81Å; T264-V284 HydrophobicContact CG2-CG2 4.28Å; T264-Y310 CarbonylContact C-O 3.56Å; T264-Y310 WeakPolarHBondContact CA-O 3.47Å; T264-L311 HydrophobicContact CG2-CD2 3.88Å |
| 265 | I | 85.1 | Confident | 71 | Confident | 76 Ų | 76 | 87.5 Ų | 87.5 | 39% | 0.39 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -78.3 | -31.2 | -179.5 | -48.5 | 175.3 | 0 | 0 | 0 | 110.8 | L263 K280 Y310 K312 | L263-I265 PolarHBondContact O-N 3.43Å; I265-K280 VanDerWaalsContact O-CD 3.28Å; I265-K280 WeakPolarHBondContact O-CD 3.26Å; I265-K280 WeakPolarHBondContact O-CE 3.43Å; I265-K280 WeakPolarHBondContact O-CG 3.42Å; I265-Y310 PolarHBondContact N-O 3.48Å; I265-K312 HydrophobicContact CD1-CB 3.78Å; I265-K312 HydrophobicContact CD1-CD 4.47Å; I265-K312 HydrophobicContact CD1-CG 4.37Å; I265-K312 HydrophobicContact CG1-CB 3.71Å |
| 266 | Q | 78.4 | Confident | 73.4 | Confident | 91 Ų | 91 | 79.3 Ų | 79.3 | 43% | 0.425 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -132.4 | 151.4 | -177.3 | -59.5 | -172.6 | 8 | 0 | 0 | 108.5 | F278 Y310 | Q266-F278 WeakPolarHBondContact O-CE2 3.33Å; Q266-Y310 HydrophobicContact CB-CD1 4.43Å; Q266-Y310 HydrophobicContact CB-CD2 3.78Å; Q266-Y310 HydrophobicContact CB-CE2 4.09Å; Q266-Y310 HydrophobicContact CB-CG 3.99Å |
| 267 | P | 84.3 | Confident | 75.9 | Confident | 82 Ų | 82 | 75.1 Ų | 75.1 | 53% | 0.532 | 41% | 0.413 | S | S | . | . | trans | -74.8 | 151.7 | 171.1 | 34.4 | -31.9 | 0 | 0 | 0 | 109.3 | F278 K280 | P267-F278 CarbonylContact C-O 3.33Å; P267-F278 WeakPolarHBondContact CA-O 3.42Å; P267-K280 HydrophobicContact CB-CB 4.32Å | ||
| 268 | Y | 82.6 | Confident | 78.4 | Confident | 22 Ų | 22 | 69.7 Ų | 69.7 | 9% | 0.086 | 38% | 0.375 | C | S | . | . | B | Isolated β-bridge | trans | -139.6 | 131.8 | 177.1 | 179.4 | -117.8 | 0 | 0 | 0 | 110.4 | E275 V276 S277 F278 W294 P307 Y310 | Y268-E275 HydrophobicContact CE1-CB 4.41Å; Y268-E275 PolarHBondContact OH-OE1 3.43Å; Y268-E275 PolarHBondContact OH-OE2 2.74Å; Y268-V276 WeakPolarHBondContact CD1-O 3.42Å; Y268-S277 CarbonylContact O-C 3.56Å; Y268-S277 VanDerWaalsContact O-CA 3.24Å; Y268-S277 WeakPolarHBondContact O-CA 3.42Å; Y268-F278 HydrophobicContact CD1-CD1 4.23Å; Y268-F278 AromaticContact CD1-CE1 3.58Å; Y268-F278 HydrophobicContact CD1-CE1 3.58Å; Y268-F278 AromaticContact CD1-CZ 3.99Å; Y268-F278 HydrophobicContact CD1-CZ 3.99Å; Y268-F278 HydrophobicContact CG-CE1 4.06Å; Y268-F278 HydrophobicContact CG-CZ 4.01Å; Y268-F278 PolarHBondContact N-O 3.46Å; Y268-F278 PolarHBondContact O-N 3.22Å; Y268-W294 WeakPolarHBondContact OH-CH2 3.38Å; Y268-W294 VanDerWaalsContact OH-CZ3 3.32Å; Y268-W294 WeakPolarHBondContact OH-CZ3 3.33Å; Y268-P307 HydrophobicContact CD2-CG 4.11Å; Y268-P307 HydrophobicContact CE1-CG 4.48Å; Y268-P307 HydrophobicContact CE2-CG 3.91Å; Y268-Y310 HydrophobicContact CD2-CE2 4.16Å |
| 269 | T | 83.5 | Confident | 80.2 | Confident | 105 Ų | 105 | 67.3 Ų | 67.3 | 64% | 0.644 | 37% | 0.371 | S | S | * | . | trans | -104.1 | 115.4 | 171.9 | 51.5 | 0 | 0 | 0 | 0 | 108.5 | Q271 | T269-Q271 PolarHBondContact O-N 2.86Š| ||
| 270 | S | 83.3 | Confident | 81.6 | Confident | 43 Ų | 43 | 69 Ų | 69 | 30% | 0.301 | 38% | 0.377 | S | S | . | . | trans | -49.8 | 121.9 | 168.9 | 48.1 | 0 | 0 | 0 | 0 | 110.9 | E275 S277 | S270-E275 WeakPolarHBondContact CB-O 3Å; S270-S277 WeakPolarHBondContact OG-CB 3.36Å; S270-S277 PolarHBondContact OG-OG 3.33Å | ||
| 271 | Q | 74.5 | Confident | 81.9 | Confident | 171 Ų | 171 | 69.7 Ų | 69.7 | 80% | 0.799 | 39% | 0.394 | S | S | * | . | trans | -96.5 | -33.7 | 176.9 | -59.3 | -175.7 | -18.4 | 0 | 0 | 110.9 | T269 E275 | T269-Q271 PolarHBondContact O-N 2.86Å; Q271-E275 WeakPolarHBondContact CA-OE2 3.38Å; Q271-E275 PolarHBondContact N-OE2 3.15Å | ||
| 272 | G | 71.7 | Confident | 81.9 | Confident | 34 Ų | 34 | 67.1 Ų | 67.1 | 35% | 0.351 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -95.2 | 163 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D274 E275 | G272-D274 VanDerWaalsContact C-N 3.28Å; G272-E275 PolarHBondContact N-OE2 2.89Å; G272-E275 PolarHBondContact O-N 3.18Å |
| 273 | A | 72.4 | Confident | 82 | Confident | 106 Ų | 106 | 69.6 Ų | 69.6 | 88% | 0.876 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -25.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | E275 | A273-E275 VanDerWaalsContact C-N 3.31Š|
| 274 | D | 80.8 | Confident | 82 | Confident | 123 Ų | 123 | 66.9 Ų | 66.9 | 66% | 0.658 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | 3.8 | 179.1 | -52.5 | -55.4 | 0 | 0 | 0 | 113.2 | G272 G304 W305 | G272-D274 VanDerWaalsContact C-N 3.28Å; D274-G304 CarbonylContact O-C 3.57Å; D274-G304 WeakPolarHBondContact O-CA 3.25Å; D274-W305 PolarHBondContact O-N 2.96Å |
| 275 | E | 86.1 | Confident | 82.1 | Confident | 44 Ų | 44 | 68.7 Ų | 68.7 | 21% | 0.206 | 40% | 0.397 | C | S | . | . | B | Isolated β-bridge | trans | -105.9 | 148.2 | -176.2 | -65.9 | 177 | 161 | 0 | 0 | 111.7 | Y268 S270 Q271 G272 A273 W294 W305 | Y268-E275 HydrophobicContact CE1-CB 4.41Å; Y268-E275 PolarHBondContact OH-OE1 3.43Å; Y268-E275 PolarHBondContact OH-OE2 2.74Å; S270-E275 WeakPolarHBondContact CB-O 3Å; Q271-E275 WeakPolarHBondContact CA-OE2 3.38Å; Q271-E275 PolarHBondContact N-OE2 3.15Å; G272-E275 PolarHBondContact N-OE2 2.89Å; G272-E275 PolarHBondContact O-N 3.18Å; A273-E275 VanDerWaalsContact C-N 3.31Å; E275-W294 HydrophobicContact CG-CZ3 4.46Å; E275-W305 WeakPolarHBondContact CA-O 3.46Å; E275-W305 HydrophobicContact CG-CB 4.42Å |
| 276 | V | 84.6 | Confident | 82.2 | Confident | 5 Ų | 5 | 65.8 Ų | 65.8 | 3% | 0.03 | 38% | 0.383 | C | S | . | . | trans | -106.2 | 120 | 178.9 | 159.5 | 0 | 0 | 0 | 0 | 111.1 | Y268 F278 I297 Y299 K302 E303 G304 W305 | Y268-V276 WeakPolarHBondContact CD1-O 3.42Å; V276-F278 HydrophobicContact CG1-CD1 4.44Å; V276-F278 VanDerWaalsContact O-CD1 3.24Å; V276-F278 WeakPolarHBondContact O-CD1 3.36Å; V276-I297 HydrophobicContact CB-CD1 4.28Å; V276-I297 HydrophobicContact CB-CG1 4.08Å; V276-I297 HydrophobicContact CG1-CD1 3.8Å; V276-I297 HydrophobicContact CG1-CG1 3.98Å; V276-Y299 HydrophobicContact CG1-CD1 4.22Å; V276-Y299 HydrophobicContact CG1-CG 4.44Å; V276-K302 HydrophobicContact CG2-CB 4.16Å; V276-E303 VanDerWaalsContact CG2-C 3.46Å; V276-G304 VanDerWaalsContact CG2-N 3.34Å; V276-W305 PolarHBondContact N-O 3.07Å | ||
| 277 | S | 83.9 | Confident | 82.5 | Confident | 50 Ų | 50 | 65.3 Ų | 65.3 | 35% | 0.35 | 38% | 0.382 | S | S | . | . | trans | -76.2 | 137.5 | 171.5 | 16.6 | 0 | 0 | 0 | 0 | 111.7 | Y268 S270 Y299 | Y268-S277 CarbonylContact O-C 3.56Å; Y268-S277 VanDerWaalsContact O-CA 3.24Å; Y268-S277 WeakPolarHBondContact O-CA 3.42Å; S270-S277 WeakPolarHBondContact OG-CB 3.36Å; S270-S277 PolarHBondContact OG-OG 3.33Å; S277-Y299 WeakPolarHBondContact O-CD1 3.11Å; S277-Y299 WeakPolarHBondContact O-CE1 3.23Å | ||
| 278 | F | 86.6 | Confident | 82.3 | Confident | 7 Ų | 7 | 66.7 Ų | 66.7 | 3% | 0.031 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -148.6 | 147 | 177.9 | 51.2 | -95.8 | 0 | 0 | 0 | 112.2 | T264 Q266 P267 Y268 V276 V284 I297 Y299 A306 Y310 L311 | T264-F278 HydrophobicContact CG2-CB 4.17Å; T264-F278 HydrophobicContact CG2-CD2 3.17Å; T264-F278 HydrophobicContact CG2-CE2 3.6Å; T264-F278 HydrophobicContact CG2-CG 3.74Å; T264-F278 HydrophobicContact CG2-CZ 4.48Å; Q266-F278 WeakPolarHBondContact O-CE2 3.33Å; P267-F278 CarbonylContact C-O 3.33Å; P267-F278 WeakPolarHBondContact CA-O 3.42Å; Y268-F278 HydrophobicContact CD1-CD1 4.23Å; Y268-F278 AromaticContact CD1-CE1 3.58Å; Y268-F278 HydrophobicContact CD1-CE1 3.58Å; Y268-F278 AromaticContact CD1-CZ 3.99Å; Y268-F278 HydrophobicContact CD1-CZ 3.99Å; Y268-F278 HydrophobicContact CG-CE1 4.06Å; Y268-F278 HydrophobicContact CG-CZ 4.01Å; Y268-F278 PolarHBondContact N-O 3.46Å; Y268-F278 PolarHBondContact O-N 3.22Å; V276-F278 HydrophobicContact CG1-CD1 4.44Å; V276-F278 VanDerWaalsContact O-CD1 3.24Å; V276-F278 WeakPolarHBondContact O-CD1 3.36Å; F278-V284 HydrophobicContact CB-CG1 4.35Å; F278-I297 HydrophobicContact CD1-CD1 3.71Å; F278-I297 HydrophobicContact CE1-CD1 3.81Å; F278-Y299 HydrophobicContact CB-CD1 3.98Å; F278-Y299 HydrophobicContact CB-CE1 4.03Å; F278-Y299 HydrophobicContact CB-CG 4.49Å; F278-A306 HydrophobicContact CE1-CB 3.56Å; F278-A306 HydrophobicContact CZ-CB 4.2Å; F278-Y310 HydrophobicContact CE2-CD2 4.46Å; F278-Y310 HydrophobicContact CZ-CD2 4.47Å; F278-L311 HydrophobicContact CE2-CD2 4.42Å; F278-L311 HydrophobicContact CZ-CD2 4.22Å |
| 279 | E | 80.3 | Confident | 82.4 | Confident | 138 Ų | 138 | 69.9 Ų | 69.9 | 65% | 0.645 | 40% | 0.396 | S | S | * | . | trans | -82.8 | 169.2 | 174 | -63.7 | -178.7 | -176.3 | 0 | 0 | 111.5 | T264 V282 | T264-E279 WeakPolarHBondContact CB-O 3.46Å; T264-E279 PolarHBondContact OG1-O 3.33Å; E279-V282 HydrophobicContact CB-CG2 3.86Å | ||
| 280 | K | 82.6 | Confident | 82.2 | Confident | 146 Ų | 146 | 66.5 Ų | 66.5 | 64% | 0.635 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | 137.6 | 179.5 | 176.1 | 171.6 | 174.5 | 172.5 | 0 | 112 | I265 P267 V282 | I265-K280 VanDerWaalsContact O-CD 3.28Å; I265-K280 WeakPolarHBondContact O-CD 3.26Å; I265-K280 WeakPolarHBondContact O-CE 3.43Å; I265-K280 WeakPolarHBondContact O-CG 3.42Å; P267-K280 HydrophobicContact CB-CB 4.32Å; K280-V282 VanDerWaalsContact C-N 3.32Å |
| 281 | G | 78.1 | Confident | 81.2 | Confident | 52 Ų | 52 | 73.3 Ų | 73.3 | 54% | 0.536 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L263 T264 | L263-G281 WeakPolarHBondContact CD2-O 3.42Å; T264-G281 PolarHBondContact O-N 2.83Å; T264-G281 PolarHBondContact OG1-N 2.84Å |
| 282 | V | 84.9 | Confident | 80.4 | Confident | 39 Ų | 39 | 72.8 Ų | 72.8 | 24% | 0.236 | 40% | 0.403 | C | S | . | . | trans | -92.2 | 153.4 | -179.3 | -167.7 | 0 | 0 | 0 | 0 | 110 | L263 T264 E279 K280 Y299 | L263-V282 WeakPolarHBondContact CA-O 3.4Å; T264-V282 WeakPolarHBondContact CG2-O 3.26Å; T264-V282 PolarHBondContact N-O 3.19Å; T264-V282 PolarHBondContact OG1-N 3.33Å; T264-V282 PolarHBondContact OG1-O 2.95Å; E279-V282 HydrophobicContact CB-CG2 3.86Å; K280-V282 VanDerWaalsContact C-N 3.32Å; V282-Y299 HydrophobicContact CB-CE2 4.38Å; V282-Y299 HydrophobicContact CG1-CD2 4.24Å; V282-Y299 HydrophobicContact CG1-CE2 3.32Å | ||
| 283 | T | 85.5 | Confident | 80.6 | Confident | 65 Ų | 65 | 72.8 Ų | 72.8 | 40% | 0.399 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 124.7 | 178.7 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | K261 Y262 | K261-T283 HydrophobicContact CB-CG2 3.56Å; K261-T283 HydrophobicContact CD-CG2 4.12Å; K261-T283 HydrophobicContact CG-CG2 3.81Å; Y262-T283 WeakPolarHBondContact O-CA 3.43Å |
| 284 | V | 88.3 | Confident | 81.1 | Confident | 1 Ų | 1 | 72.2 Ų | 72.2 | 1% | 0.006 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 156.9 | 175.7 | -54.9 | 0 | 0 | 0 | 0 | 110.5 | K261 Y262 T264 F278 I297 Y299 L311 | K261-V284 WeakPolarHBondContact CA-O 3.34Å; Y262-V284 PolarHBondContact N-O 3.46Å; Y262-V284 PolarHBondContact O-N 3.44Å; T264-V284 HydrophobicContact CG2-CG1 3.81Å; T264-V284 HydrophobicContact CG2-CG2 4.28Å; F278-V284 HydrophobicContact CB-CG1 4.35Å; V284-I297 HydrophobicContact CB-CD1 3.99Å; V284-I297 HydrophobicContact CG1-CD1 4.07Å; V284-I297 HydrophobicContact CG2-CB 4.44Å; V284-I297 HydrophobicContact CG2-CD1 3.97Å; V284-I297 HydrophobicContact CG2-CG2 4.33Å; V284-Y299 HydrophobicContact CG1-CD2 3.85Å; V284-Y299 HydrophobicContact CG1-CG 3.98Å; V284-L311 HydrophobicContact CG2-CD2 3.59Å |
| 285 | E | 87.6 | Confident | 81.5 | Confident | 43 Ų | 43 | 68.4 Ų | 68.4 | 20% | 0.201 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 118.2 | -177.4 | -64.2 | -180 | 160.5 | 0 | 0 | 110.1 | E259 K261 I297 R298 | E259-E285 HydrophobicContact CB-CB 4.2Å; E259-E285 HydrophobicContact CB-CG 3.88Å; K261-E285 HydrophobicContact CG-CG 4.23Å; K261-E285 IonicContact NZ-OE1 2.68Å; K261-E285 PolarHBondContact NZ-OE1 2.99Å; E285-I297 CarbonylContact O-C 3.56Å; E285-I297 VanDerWaalsContact O-CA 3.27Å; E285-I297 WeakPolarHBondContact O-CA 3.21Å; E285-R298 HydrophobicContact CB-CB 4.38Å; E285-R298 PolarHBondContact N-O 3.5Å; E285-R298 PolarHBondContact O-N 3.12Å |
| 286 | V | 86.8 | Confident | 81.5 | Confident | 15 Ų | 15 | 69.6 Ų | 69.6 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 117.9 | -178.5 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | E260 Y262 K289 W295 I297 L311 | E260-V286 PolarHBondContact O-N 3.31Å; E260-V286 VanDerWaalsContact O-N 3.09Å; Y262-V286 HydrophobicContact CD1-CG2 4.42Å; Y262-V286 HydrophobicContact CD2-CB 4.03Å; Y262-V286 HydrophobicContact CD2-CG2 3.31Å; Y262-V286 HydrophobicContact CE2-CB 4.14Å; Y262-V286 HydrophobicContact CE2-CG2 3.77Å; Y262-V286 HydrophobicContact CG-CG2 3.7Å; V286-K289 HydrophobicContact CG1-CD 4.17Å; V286-K289 VanDerWaalsContact CG1-CE 3.45Å; V286-K289 HydrophobicContact CG1-CG 3.59Å; V286-W295 HydrophobicContact CG1-CB 4Å; V286-W295 HydrophobicContact CG1-CD2 4.27Å; V286-W295 HydrophobicContact CG1-CE3 4.12Å; V286-W295 HydrophobicContact CG1-CG 4.27Å; V286-W295 HydrophobicContact CG2-CE3 3.92Å; V286-I297 HydrophobicContact CB-CG2 4.5Å; V286-I297 HydrophobicContact CG2-CG2 3.92Å; V286-L311 HydrophobicContact CG2-CD1 4.3Å |
| 287 | I | 84.5 | Confident | 81.8 | Confident | 80 Ų | 80 | 69.3 Ų | 69.3 | 41% | 0.41 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -48.6 | -179.5 | -64.4 | 175.7 | 0 | 0 | 0 | 110.8 | Y296 R298 E303 | I287-Y296 HydrophobicContact CB-CD1 4.25Å; I287-Y296 HydrophobicContact CD1-CD1 4.4Å; I287-Y296 HydrophobicContact CG2-CD1 4.4Å; I287-Y296 PolarHBondContact N-O 2.9Å; I287-R298 HydrophobicContact CD1-CB 3.91Å; I287-E303 HydrophobicContact CD1-CG 4.36Å; I287-E303 WeakPolarHBondContact CD1-OE2 3.37Å |
| 288 | Q | 79.9 | Confident | 81.9 | Confident | 111 Ų | 111 | 71.1 Ų | 71.1 | 52% | 0.519 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 142.7 | -177 | -177.8 | 175.1 | -26.8 | 0 | 0 | 110.6 | W295 Y296 | Q288-W295 CarbonylContact O-C 3.58Å; Q288-W295 WeakPolarHBondContact O-CA 3.44Å; Q288-Y296 PolarHBondContact N-O 3.01Å; Q288-Y296 PolarHBondContact O-N 3.18Å |
| 289 | K | 84.6 | Confident | 81.7 | Confident | 90 Ų | 90 | 72.7 Ų | 72.7 | 39% | 0.391 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 116.3 | 179.1 | -59.2 | -178.9 | -168.9 | 171.2 | 0 | 109.1 | E260 Y262 V286 W295 | E260-K289 IonicContact OE2-NZ 3.57Å; E260-K289 PolarHBondContact OE2-NZ 3.14Å; Y262-K289 PolarHBondContact OH-NZ 3.46Å; V286-K289 HydrophobicContact CG1-CD 4.17Å; V286-K289 VanDerWaalsContact CG1-CE 3.45Å; V286-K289 HydrophobicContact CG1-CG 3.59Å; K289-W295 VanDerWaalsContact CA-CD1 3.45Å; K289-W295 HydrophobicContact CB-CD2 4.41Å; K289-W295 HydrophobicContact CB-CG 4.15Å; K289-W295 HydrophobicContact CD-CD2 4.17Å; K289-W295 HydrophobicContact CD-CZ2 4.08Å; K289-W295 HydrophobicContact CG-CD2 3.83Å; K289-W295 HydrophobicContact CG-CG 3.84Å; K289-W295 HydrophobicContact CG-CZ2 4.49Å |
| 290 | N | 78.4 | Confident | 81.5 | Confident | 34 Ų | 34 | 73.1 Ų | 73.1 | 18% | 0.182 | 37% | 0.367 | C | S | . | . | trans | -82.9 | 173.2 | 164.5 | 75.6 | 11.9 | 0 | 0 | 0 | 110.5 | E292 G293 W294 | N290-E292 VanDerWaalsContact C-N 3.35Å; N290-E292 PolarHBondContact ND2-OE2 3.02Å; N290-E292 PolarHBondContact OD1-N 3.43Å; N290-G293 PolarHBondContact OD1-N 3.36Å; N290-W294 PolarHBondContact N-O 3.38Å; N290-W294 PolarHBondContact ND2-O 3.11Å; N290-W294 PolarHBondContact OD1-N 3.01Å; N290-W294 PolarHBondContact OD1-O 3.44Å | ||
| 291 | L | 63.9 | Low | 81.1 | Confident | 186 Ų | 186 | 69.3 Ų | 69.3 | 97% | 0.974 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -90.7 | -1.6 | 173.7 | -64.1 | 173.2 | 0 | 0 | 0 | 112.6 | ||
| 292 | E | 57.8 | Low | 81 | Confident | 160 Ų | 160 | 73.9 Ų | 73.9 | 75% | 0.748 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -95.2 | 2.4 | -173 | -51.5 | 156.7 | 138.3 | 0 | 0 | 112 | N290 | N290-E292 VanDerWaalsContact C-N 3.35Å; N290-E292 PolarHBondContact ND2-OE2 3.02Å; N290-E292 PolarHBondContact OD1-N 3.43Å |
| 293 | G | 74.2 | Confident | 81.1 | Confident | 33 Ų | 33 | 76.1 Ų | 76.1 | 34% | 0.34 | 38% | 0.383 | S | S | . | . | S | Bend | trans | 89.8 | 14 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | N290 A308 | N290-G293 PolarHBondContact OD1-N 3.36Å; G293-A308 WeakPolarHBondContact O-CB 3.47Å; G293-A308 PolarHBondContact O-N 3.45Å |
| 294 | W | 84.2 | Confident | 81.1 | Confident | 95 Ų | 95 | 73.1 Ų | 73.1 | 36% | 0.36 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 123 | 176.9 | -69.7 | 83 | 0 | 0 | 0 | 110.9 | Y268 E275 N290 W305 A306 P307 | Y268-W294 WeakPolarHBondContact OH-CH2 3.38Å; Y268-W294 VanDerWaalsContact OH-CZ3 3.32Å; Y268-W294 WeakPolarHBondContact OH-CZ3 3.33Å; E275-W294 HydrophobicContact CG-CZ3 4.46Å; N290-W294 PolarHBondContact N-O 3.38Å; N290-W294 PolarHBondContact ND2-O 3.11Å; N290-W294 PolarHBondContact OD1-N 3.01Å; N290-W294 PolarHBondContact OD1-O 3.44Å; W294-W305 HydrophobicContact CB-CE3 4.16Å; W294-W305 HydrophobicContact CE3-CB 4.13Å; W294-A306 CarbonylContact C-O 3.6Å; W294-A306 WeakPolarHBondContact CA-O 3.33Å; W294-P307 HydrophobicContact CE3-CG 4.32Å; W294-P307 HydrophobicContact CH2-CG 4.09Å; W294-P307 HydrophobicContact CZ3-CG 3.97Å |
| 295 | W | 89.4 | Confident | 81.1 | Confident | 43 Ų | 43 | 76.8 Ų | 76.8 | 16% | 0.163 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 137.2 | -178.6 | -66.2 | -7.7 | 0 | 0 | 0 | 110.1 | Y262 V286 Q288 K289 I297 A306 A308 L311 | Y262-W295 AromaticContact CD1-CZ3 3.75Å; Y262-W295 HydrophobicContact CD1-CZ3 3.75Å; Y262-W295 HydrophobicContact CE1-CE3 4.3Å; Y262-W295 AromaticContact CE1-CH2 3.81Å; Y262-W295 HydrophobicContact CE1-CH2 3.81Å; Y262-W295 AromaticContact CE1-CZ3 3.28Å; Y262-W295 HydrophobicContact CE1-CZ3 3.28Å; Y262-W295 AromaticContact CZ-CZ3 3.74Å; V286-W295 HydrophobicContact CG1-CB 4Å; V286-W295 HydrophobicContact CG1-CD2 4.27Å; V286-W295 HydrophobicContact CG1-CE3 4.12Å; V286-W295 HydrophobicContact CG1-CG 4.27Å; V286-W295 HydrophobicContact CG2-CE3 3.92Å; Q288-W295 CarbonylContact O-C 3.58Å; Q288-W295 WeakPolarHBondContact O-CA 3.44Å; K289-W295 VanDerWaalsContact CA-CD1 3.45Å; K289-W295 HydrophobicContact CB-CD2 4.41Å; K289-W295 HydrophobicContact CB-CG 4.15Å; K289-W295 HydrophobicContact CD-CD2 4.17Å; K289-W295 HydrophobicContact CD-CZ2 4.08Å; K289-W295 HydrophobicContact CG-CD2 3.83Å; K289-W295 HydrophobicContact CG-CG 3.84Å; K289-W295 HydrophobicContact CG-CZ2 4.49Å; W295-I297 HydrophobicContact CB-CG2 4.4Å; W295-I297 PolarHBondContact O-N 3.22Å; W295-A306 PolarHBondContact N-O 3.24Å; W295-A306 PolarHBondContact O-N 2.84Å; W295-A308 HydrophobicContact CD2-CB 3.52Å; W295-A308 HydrophobicContact CE3-CB 4.04Å; W295-A308 HydrophobicContact CG-CB 3.79Å; W295-A308 HydrophobicContact CH2-CB 4.26Å; W295-A308 HydrophobicContact CZ2-CB 3.82Å; W295-A308 HydrophobicContact CZ3-CB 4.34Å; W295-L311 HydrophobicContact CB-CD1 4.42Å; W295-L311 HydrophobicContact CE3-CB 4.17Å; W295-L311 HydrophobicContact CE3-CD1 3.81Å; W295-L311 HydrophobicContact CZ3-CB 4.02Å; W295-L311 HydrophobicContact CZ3-CD1 4.5Å |
| 296 | Y | 86.4 | Confident | 81.1 | Confident | 68 Ų | 68 | 74.8 Ų | 74.8 | 27% | 0.267 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 117.8 | 172.7 | -160.4 | -105.3 | 0 | 0 | 0 | 107.9 | I287 Q288 E303 G304 W305 | I287-Y296 HydrophobicContact CB-CD1 4.25Å; I287-Y296 HydrophobicContact CD1-CD1 4.4Å; I287-Y296 HydrophobicContact CG2-CD1 4.4Å; I287-Y296 PolarHBondContact N-O 2.9Å; Q288-Y296 PolarHBondContact N-O 3.01Å; Q288-Y296 PolarHBondContact O-N 3.18Å; Y296-E303 HydrophobicContact CE1-CB 3.8Å; Y296-G304 WeakPolarHBondContact CA-O 3.45Å; Y296-W305 AromaticContact CD2-CD2 3.84Å; Y296-W305 HydrophobicContact CD2-CD2 3.84Å; Y296-W305 AromaticContact CD2-CE2 3.68Å; Y296-W305 HydrophobicContact CD2-CE3 4.34Å; Y296-W305 HydrophobicContact CD2-CG 4.15Å; Y296-W305 HydrophobicContact CD2-CZ2 4.05Å; Y296-W305 AromaticContact CD2-NE1 3.88Å |
| 297 | I | 89.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 152.7 | -175 | 65.3 | 166.8 | 0 | 0 | 0 | 111.5 | V276 F278 V284 E285 V286 W295 E303 G304 A306 L311 | V276-I297 HydrophobicContact CB-CD1 4.28Å; V276-I297 HydrophobicContact CB-CG1 4.08Å; V276-I297 HydrophobicContact CG1-CD1 3.8Å; V276-I297 HydrophobicContact CG1-CG1 3.98Å; F278-I297 HydrophobicContact CD1-CD1 3.71Å; F278-I297 HydrophobicContact CE1-CD1 3.81Å; V284-I297 HydrophobicContact CB-CD1 3.99Å; V284-I297 HydrophobicContact CG1-CD1 4.07Å; V284-I297 HydrophobicContact CG2-CB 4.44Å; V284-I297 HydrophobicContact CG2-CD1 3.97Å; V284-I297 HydrophobicContact CG2-CG2 4.33Å; E285-I297 CarbonylContact O-C 3.56Å; E285-I297 VanDerWaalsContact O-CA 3.27Å; E285-I297 WeakPolarHBondContact O-CA 3.21Å; V286-I297 HydrophobicContact CB-CG2 4.5Å; V286-I297 HydrophobicContact CG2-CG2 3.92Å; W295-I297 HydrophobicContact CB-CG2 4.4Å; W295-I297 PolarHBondContact O-N 3.22Å; I297-E303 WeakPolarHBondContact O-CA 3.35Å; I297-G304 PolarHBondContact N-O 2.91Å; I297-G304 PolarHBondContact O-N 2.82Å; I297-G304 VanDerWaalsContact O-N 3.11Å; I297-A306 HydrophobicContact CD1-CB 3.44Å; I297-A306 VanDerWaalsContact CD1-CB 3.44Å; I297-A306 HydrophobicContact CG1-CB 3.68Å; I297-A306 HydrophobicContact CG2-CB 4.15Å; I297-L311 HydrophobicContact CG2-CD1 3.76Å |
| 298 | R | 86.8 | Confident | 81.1 | Confident | 88 Ų | 88 | 71.6 Ų | 71.6 | 33% | 0.332 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 130.6 | 165 | -174.7 | -178.5 | -69.8 | 132 | 1.4 | 109.7 | E285 I287 K302 E303 | E285-R298 HydrophobicContact CB-CB 4.38Å; E285-R298 PolarHBondContact N-O 3.5Å; E285-R298 PolarHBondContact O-N 3.12Å; I287-R298 HydrophobicContact CD1-CB 3.91Å; R298-K302 CarbonylContact C-O 3.59Å; R298-K302 VanDerWaalsContact CA-O 3.3Å; R298-K302 WeakPolarHBondContact CA-O 3.43Å; R298-E303 HydrophobicContact CB-CG 3.96Å; R298-E303 HydrophobicContact CG-CG 3.87Å; R298-E303 IonicContact CZ-OE1 3.37Å; R298-E303 IonicContact NE-OE1 2.7Å; R298-E303 PolarHBondContact NE-OE1 2.79Å; R298-E303 VanDerWaalsContact NH2-CD 3.28Å; R298-E303 IonicContact NH2-OE1 3.68Å; R298-E303 PolarHBondContact NH2-OE1 2.96Å; R298-E303 IonicContact NH2-OE2 2.77Å; R298-E303 PolarHBondContact NH2-OE2 3.17Å |
| 299 | Y | 82.3 | Confident | 81.3 | Confident | 39 Ų | 39 | 70.4 Ų | 70.4 | 15% | 0.153 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 122.5 | 176.3 | 176.5 | -125.6 | 0 | 0 | 0 | 110.2 | V276 S277 F278 V282 V284 G301 K302 | V276-Y299 HydrophobicContact CG1-CD1 4.22Å; V276-Y299 HydrophobicContact CG1-CG 4.44Å; S277-Y299 WeakPolarHBondContact O-CD1 3.11Å; S277-Y299 WeakPolarHBondContact O-CE1 3.23Å; F278-Y299 HydrophobicContact CB-CD1 3.98Å; F278-Y299 HydrophobicContact CB-CE1 4.03Å; F278-Y299 HydrophobicContact CB-CG 4.49Å; V282-Y299 HydrophobicContact CB-CE2 4.38Å; V282-Y299 HydrophobicContact CG1-CD2 4.24Å; V282-Y299 HydrophobicContact CG1-CE2 3.32Å; V284-Y299 HydrophobicContact CG1-CD2 3.85Å; V284-Y299 HydrophobicContact CG1-CG 3.98Å; Y299-G301 PolarHBondContact O-N 2.96Å; Y299-K302 PolarHBondContact N-O 3.33Å; Y299-K302 PolarHBondContact O-N 3.33Å |
| 300 | L | 76.1 | Confident | 81.2 | Confident | 148 Ų | 148 | 69.4 Ų | 69.4 | 78% | 0.775 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47 | 35.4 | -176.7 | -59.7 | 171.9 | 0 | 0 | 0 | 114.5 | K302 | L300-K302 VanDerWaalsContact C-N 3.32Å; L300-K302 PolarHBondContact O-N 3.33Å |
| 301 | G | 73.5 | Confident | 81.6 | Confident | 66 Ų | 66 | 68.3 Ų | 68.3 | 68% | 0.68 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | 0.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y299 | Y299-G301 PolarHBondContact O-N 2.96Š|
| 302 | K | 76.2 | Confident | 82.5 | Confident | 148 Ų | 148 | 66 Ų | 66 | 64% | 0.643 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 144.2 | 165.8 | -60.1 | -176 | 179.3 | -176.2 | 0 | 109.8 | V276 R298 Y299 L300 | V276-K302 HydrophobicContact CG2-CB 4.16Å; R298-K302 CarbonylContact C-O 3.59Å; R298-K302 VanDerWaalsContact CA-O 3.3Å; R298-K302 WeakPolarHBondContact CA-O 3.43Å; Y299-K302 PolarHBondContact N-O 3.33Å; Y299-K302 PolarHBondContact O-N 3.33Å; L300-K302 VanDerWaalsContact C-N 3.32Å; L300-K302 PolarHBondContact O-N 3.33Å |
| 303 | E | 88.1 | Confident | 83.8 | Confident | 86 Ų | 86 | 63.2 Ų | 63.2 | 40% | 0.402 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 137.9 | 179.9 | -66.9 | -176.5 | -144.2 | 0 | 0 | 110.1 | V276 I287 Y296 I297 R298 | V276-E303 VanDerWaalsContact CG2-C 3.46Å; I287-E303 HydrophobicContact CD1-CG 4.36Å; I287-E303 WeakPolarHBondContact CD1-OE2 3.37Å; Y296-E303 HydrophobicContact CE1-CB 3.8Å; I297-E303 WeakPolarHBondContact O-CA 3.35Å; R298-E303 HydrophobicContact CB-CG 3.96Å; R298-E303 HydrophobicContact CG-CG 3.87Å; R298-E303 IonicContact CZ-OE1 3.37Å; R298-E303 IonicContact NE-OE1 2.7Å; R298-E303 PolarHBondContact NE-OE1 2.79Å; R298-E303 VanDerWaalsContact NH2-CD 3.28Å; R298-E303 IonicContact NH2-OE1 3.68Å; R298-E303 PolarHBondContact NH2-OE1 2.96Å; R298-E303 IonicContact NH2-OE2 2.77Å; R298-E303 PolarHBondContact NH2-OE2 3.17Å |
| 304 | G | 85.2 | Confident | 83.8 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169 | 176.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D274 V276 Y296 I297 | D274-G304 CarbonylContact O-C 3.57Å; D274-G304 WeakPolarHBondContact O-CA 3.25Å; V276-G304 VanDerWaalsContact CG2-N 3.34Å; Y296-G304 WeakPolarHBondContact CA-O 3.45Å; I297-G304 PolarHBondContact N-O 2.91Å; I297-G304 PolarHBondContact O-N 2.82Å; I297-G304 VanDerWaalsContact O-N 3.11Å |
| 305 | W | 88.3 | Confident | 82.4 | Confident | 79 Ų | 79 | 67.9 Ų | 67.9 | 30% | 0.299 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 148.2 | -176.1 | -61.9 | 99.8 | 0 | 0 | 0 | 113.2 | D274 E275 V276 W294 Y296 | D274-W305 PolarHBondContact O-N 2.96Å; E275-W305 WeakPolarHBondContact CA-O 3.46Å; E275-W305 HydrophobicContact CG-CB 4.42Å; V276-W305 PolarHBondContact N-O 3.07Å; W294-W305 HydrophobicContact CB-CE3 4.16Å; W294-W305 HydrophobicContact CE3-CB 4.13Å; Y296-W305 AromaticContact CD2-CD2 3.84Å; Y296-W305 HydrophobicContact CD2-CD2 3.84Å; Y296-W305 AromaticContact CD2-CE2 3.68Å; Y296-W305 HydrophobicContact CD2-CE3 4.34Å; Y296-W305 HydrophobicContact CD2-CG 4.15Å; Y296-W305 HydrophobicContact CD2-CZ2 4.05Å; Y296-W305 AromaticContact CD2-NE1 3.88Å |
| 306 | A | 87.4 | Confident | 80.5 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 143.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F278 W294 W295 I297 A308 L311 | F278-A306 HydrophobicContact CE1-CB 3.56Å; F278-A306 HydrophobicContact CZ-CB 4.2Å; W294-A306 CarbonylContact C-O 3.6Å; W294-A306 WeakPolarHBondContact CA-O 3.33Å; W295-A306 PolarHBondContact N-O 3.24Å; W295-A306 PolarHBondContact O-N 2.84Å; I297-A306 HydrophobicContact CD1-CB 3.44Å; I297-A306 VanDerWaalsContact CD1-CB 3.44Å; I297-A306 HydrophobicContact CG1-CB 3.68Å; I297-A306 HydrophobicContact CG2-CB 4.15Å; A306-A308 PolarHBondContact O-N 2.63Å; A306-L311 HydrophobicContact CB-CD1 4.31Å |
| 307 | P | 86.3 | Confident | 78.5 | Confident | 14 Ų | 14 | 73.1 Ų | 73.1 | 9% | 0.091 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 119 | 174.1 | -24.9 | 34.8 | 0 | 0 | 0 | 112.5 | Y268 W294 S309 Y310 | Y268-P307 HydrophobicContact CD2-CG 4.11Å; Y268-P307 HydrophobicContact CE1-CG 4.48Å; Y268-P307 HydrophobicContact CE2-CG 3.91Å; W294-P307 HydrophobicContact CE3-CG 4.32Å; W294-P307 HydrophobicContact CH2-CG 4.09Å; W294-P307 HydrophobicContact CZ3-CG 3.97Å; P307-S309 PolarHBondContact O-N 2.65Å; P307-Y310 HydrophobicContact CB-CD1 4.15Å; P307-Y310 HydrophobicContact CB-CE1 4.5Å; P307-Y310 HydrophobicContact CB-CG 4.15Å; P307-Y310 PolarHBondContact O-N 2.85Å |
| 308 | A | 84.6 | Confident | 75.9 | Confident | 14 Ų | 14 | 82.9 Ų | 82.9 | 12% | 0.116 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -59.2 | -32.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G293 W295 A306 Y310 L311 | G293-A308 WeakPolarHBondContact O-CB 3.47Å; G293-A308 PolarHBondContact O-N 3.45Å; W295-A308 HydrophobicContact CD2-CB 3.52Å; W295-A308 HydrophobicContact CE3-CB 4.04Å; W295-A308 HydrophobicContact CG-CB 3.79Å; W295-A308 HydrophobicContact CH2-CB 4.26Å; W295-A308 HydrophobicContact CZ2-CB 3.82Å; W295-A308 HydrophobicContact CZ3-CB 4.34Å; A306-A308 PolarHBondContact O-N 2.63Å; A308-Y310 PolarHBondContact O-N 2.68Å; A308-L311 PolarHBondContact O-N 3.18Å; A308-L311 VanDerWaalsContact O-N 3.08Å |
| 309 | S | 84.8 | Confident | 73.2 | Confident | 87 Ų | 87 | 84.2 Ų | 84.2 | 61% | 0.608 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -60.9 | -22.4 | 175.7 | 52.2 | 0 | 0 | 0 | 0 | 113.4 | P307 L311 | P307-S309 PolarHBondContact O-N 2.65Å; S309-L311 VanDerWaalsContact C-N 3.35Å |
| 310 | Y | 82.2 | Confident | 71.1 | Confident | 69 Ų | 69 | 87.9 Ų | 87.9 | 27% | 0.271 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -91 | -0.7 | 179.6 | -68.8 | 19.4 | 0 | 0 | 0 | 111.8 | T264 I265 Q266 Y268 F278 P307 A308 | T264-Y310 CarbonylContact C-O 3.56Å; T264-Y310 WeakPolarHBondContact CA-O 3.47Å; I265-Y310 PolarHBondContact N-O 3.48Å; Q266-Y310 HydrophobicContact CB-CD1 4.43Å; Q266-Y310 HydrophobicContact CB-CD2 3.78Å; Q266-Y310 HydrophobicContact CB-CE2 4.09Å; Q266-Y310 HydrophobicContact CB-CG 3.99Å; Y268-Y310 HydrophobicContact CD2-CE2 4.16Å; F278-Y310 HydrophobicContact CE2-CD2 4.46Å; F278-Y310 HydrophobicContact CZ-CD2 4.47Å; P307-Y310 HydrophobicContact CB-CD1 4.15Å; P307-Y310 HydrophobicContact CB-CE1 4.5Å; P307-Y310 HydrophobicContact CB-CG 4.15Å; P307-Y310 PolarHBondContact O-N 2.85Å; A308-Y310 PolarHBondContact O-N 2.68Å |
| 311 | L | 86 | Confident | 68.8 | Low | 10 Ų | 10 | 91.9 Ų | 91.9 | 5% | 0.052 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 106.4 | -170.6 | -59.8 | 178.8 | 0 | 0 | 0 | 111.7 | Y262 T264 F278 V284 V286 W295 I297 A306 A308 S309 | Y262-L311 HydrophobicContact CD1-CB 3.89Å; Y262-L311 WeakPolarHBondContact CD1-O 3.29Å; Y262-L311 HydrophobicContact CG-CB 4.41Å; T264-L311 HydrophobicContact CG2-CD2 3.88Å; F278-L311 HydrophobicContact CE2-CD2 4.42Å; F278-L311 HydrophobicContact CZ-CD2 4.22Å; V284-L311 HydrophobicContact CG2-CD2 3.59Å; V286-L311 HydrophobicContact CG2-CD1 4.3Å; W295-L311 HydrophobicContact CB-CD1 4.42Å; W295-L311 HydrophobicContact CE3-CB 4.17Å; W295-L311 HydrophobicContact CE3-CD1 3.81Å; W295-L311 HydrophobicContact CZ3-CB 4.02Å; W295-L311 HydrophobicContact CZ3-CD1 4.5Å; I297-L311 HydrophobicContact CG2-CD1 3.76Å; A306-L311 HydrophobicContact CB-CD1 4.31Å; A308-L311 PolarHBondContact O-N 3.18Å; A308-L311 VanDerWaalsContact O-N 3.08Å; S309-L311 VanDerWaalsContact C-N 3.35Å |
| 312 | K | 83.2 | Confident | 66.9 | Low | 137 Ų | 137 | 98.7 Ų | 98.7 | 60% | 0.596 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 128 | 172.8 | -156.9 | 168.8 | -174.6 | 175.2 | 0 | 110.1 | Y262 L263 I265 L314 | Y262-K312 CarbonylContact C-O 3.52Å; Y262-K312 VanDerWaalsContact CA-O 3.28Å; Y262-K312 WeakPolarHBondContact CA-O 3.45Å; Y262-K312 WeakPolarHBondContact CD1-O 3.38Å; L263-K312 PolarHBondContact N-O 2.63Å; L263-K312 PolarHBondContact O-N 2.71Å; I265-K312 HydrophobicContact CD1-CB 3.78Å; I265-K312 HydrophobicContact CD1-CD 4.47Å; I265-K312 HydrophobicContact CD1-CG 4.37Å; I265-K312 HydrophobicContact CG1-CB 3.71Å; K312-L314 PolarHBondContact O-N 2.57Å |
| 313 | K | 84.1 | Confident | 65.1 | Low | 103 Ų | 103 | 100.7 Ų | 100.7 | 45% | 0.448 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 124 | 170.7 | -172.3 | 163.4 | 176.6 | 167.9 | 0 | 108.2 | E260 Y262 K315 | E260-K313 WeakPolarHBondContact OE1-CE 3.48Å; E260-K313 IonicContact OE1-NZ 3.83Å; E260-K313 PolarHBondContact OE1-NZ 3.42Å; Y262-K313 VanDerWaalsContact CD1-CA 3.4Å; Y262-K313 HydrophobicContact CD1-CB 4.05Å; Y262-K313 VanDerWaalsContact CE1-CA 3.4Å; Y262-K313 HydrophobicContact CE1-CB 3.49Å; Y262-K313 VanDerWaalsContact CE1-CB 3.49Å; Y262-K313 HydrophobicContact CE1-CG 4.21Å; Y262-K313 HydrophobicContact CE2-CB 4.42Å; Y262-K313 HydrophobicContact CE2-CG 4.26Å; K313-K315 PolarHBondContact O-N 2.82Å; K313-K315 VanDerWaalsContact O-N 3.14Å |
| 314 | L | 74.8 | Confident | 62.2 | Low | 76 Ų | 76 | 103.5 Ų | 103.5 | 40% | 0.398 | 51% | 0.509 | S | S | . | . | trans | -65.7 | 115.7 | 172.5 | -175.8 | 68.6 | 0 | 0 | 0 | 107.2 | K261 L263 K312 D316 | K261-L314 WeakPolarHBondContact O-CB 3.4Å; K261-L314 PolarHBondContact O-N 2.96Å; L263-L314 HydrophobicContact CD1-CD1 3.63Å; L263-L314 HydrophobicContact CG-CD1 4.07Å; K312-L314 PolarHBondContact O-N 2.57Å; L314-D316 PolarHBondContact O-N 3.27Å | ||
| 315 | K | 54.3 | Low | 59.7 | Low | 150 Ų | 150 | 111.1 Ų | 111.1 | 65% | 0.652 | 55% | 0.548 | S | S | * | . | trans | -74.4 | 121 | 171.9 | -162.9 | 174.9 | 172 | -71.2 | 0 | 106.7 | K313 D317 | K313-K315 PolarHBondContact O-N 2.82Å; K313-K315 VanDerWaalsContact O-N 3.14Å; K315-D317 VanDerWaalsContact CD-OD2 3.26Å; K315-D317 WeakPolarHBondContact CD-OD2 3.26Å; K315-D317 WeakPolarHBondContact CG-OD2 3.44Å; K315-D317 IonicContact NZ-OD1 3.58Å; K315-D317 PolarHBondContact NZ-OD1 3.03Å; K315-D317 IonicContact NZ-OD2 2.73Å; K315-D317 PolarHBondContact NZ-OD2 3.07Å; K315-D317 PolarHBondContact O-N 2.69Å | ||
| 316 | D | 50.1 | Low | 56.9 | Low | 126 Ų | 126 | 114.1 Ų | 114.1 | 67% | 0.674 | 58% | 0.576 | S | S | * | * | trans | -76.5 | 57.4 | -167.4 | -157.4 | 12 | 0 | 0 | 0 | 111.6 | R258 L314 | R258-D316 IonicContact NH1-OD2 2.77Å; R258-D316 PolarHBondContact NH1-OD2 3.23Å; L314-D316 PolarHBondContact O-N 3.27Å | ||
| 317 | D | 44.2 | Very low | 54.4 | Low | 95 Ų | 95 | 116.9 Ų | 116.9 | 51% | 0.508 | 60% | 0.604 | S | S | . | * | trans | -98.7 | 1.9 | -163.9 | -80.6 | -11.1 | 0 | 0 | 0 | 114.7 | K315 | K315-D317 VanDerWaalsContact CD-OD2 3.26Å; K315-D317 WeakPolarHBondContact CD-OD2 3.26Å; K315-D317 WeakPolarHBondContact CG-OD2 3.44Å; K315-D317 IonicContact NZ-OD1 3.58Å; K315-D317 PolarHBondContact NZ-OD1 3.03Å; K315-D317 IonicContact NZ-OD2 2.73Å; K315-D317 PolarHBondContact NZ-OD2 3.07Å; K315-D317 PolarHBondContact O-N 2.69Å | ||
| 318 | F | 35.3 | Very low | 52 | Low | 205 Ų | 205 | 122 Ų | 122 | 90% | 0.899 | 64% | 0.637 | S | S | * | * | trans | -132.9 | 89.7 | -179.8 | -80.2 | -71.2 | 0 | 0 | 0 | 114.3 | ||||
| 319 | S | 30.7 | Very low | 49.6 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 81% | 0.811 | 67% | 0.672 | S | S | * | * | trans | -123.3 | 113.6 | 161 | -176.6 | 0 | 0 | 0 | 0 | 110.4 | R321 | S319-R321 PolarHBondContact O-N 2.93Š| ||
| 320 | P | 37.7 | Very low | 47.7 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 75% | 0.747 | 68% | 0.679 | S | S | * | * | trans | -90.4 | 96.5 | -168.1 | 33.6 | -34.9 | 0 | 0 | 0 | 114.4 | ||||
| 321 | R | 28.6 | Very low | 46.2 | Very low | 232 Ų | 232 | 136.3 Ų | 136.3 | 88% | 0.875 | 71% | 0.707 | S | S | * | * | trans | 71.7 | 148 | 160.6 | -49.4 | 173.8 | -177.8 | -173.1 | -0.9 | 114.2 | S319 | S319-R321 PolarHBondContact O-N 2.93Š| ||
| 322 | K | 33.3 | Very low | 44.3 | Very low | 210 Ų | 210 | 139 Ų | 139 | 91% | 0.913 | 72% | 0.721 | S | S | * | * | cis | -109.6 | 163.1 | 15.9 | -61.8 | 176.4 | -179 | 177 | 0 | 112.7 | ||||
| 323 | K | 38.6 | Very low | 42.6 | Very low | 189 Ų | 189 | 136.4 Ų | 136.4 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | trans | -106 | 145.7 | -173.3 | -56.6 | 180 | 179.6 | -175.7 | 0 | 112.2 | ||||
| 324 | T | 27.6 | Very low | 41.2 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 89% | 0.89 | 73% | 0.731 | S | S | * | * | trans | -125.8 | 142.2 | 149.7 | 29.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 325 | L | 32.3 | Very low | 40.6 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | trans | -90.4 | 136.1 | -164.8 | -65.9 | 84.3 | 0 | 0 | 0 | 112.6 | ||||
| 326 | T | 28.7 | Very low | 40.2 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | trans | -159.3 | 137.7 | 144.1 | -73.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 327 | G | 36 | Very low | 40.3 | Very low | 58 Ų | 58 | 135.6 Ų | 135.6 | 60% | 0.598 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 172.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 328 | P | 35.7 | Very low | 40.8 | Very low | 121 Ų | 121 | 135 Ų | 135 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 152.2 | 176.6 | 31.8 | -35.5 | 0 | 0 | 0 | 111.9 | ||
| 329 | V | 32.9 | Very low | 41.5 | Very low | 138 Ų | 138 | 128.8 Ų | 128.8 | 84% | 0.836 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 118.2 | 158.6 | 178 | 0 | 0 | 0 | 0 | 107.1 | ||
| 330 | E | 44.4 | Very low | 42.4 | Very low | 165 Ų | 165 | 129.2 Ų | 129.2 | 77% | 0.771 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 134.3 | 176 | -63.9 | 178.7 | 151.5 | 0 | 0 | 110.1 | I332 | E330-I332 PolarHBondContact O-N 3.4Š|
| 331 | I | 52.2 | Low | 43.3 | Very low | 167 Ų | 167 | 129.8 Ų | 129.8 | 86% | 0.856 | 70% | 0.701 | S | S | * | * | trans | -85.1 | 95.6 | 175.1 | -58.6 | 179.7 | 0 | 0 | 0 | 107.5 | G333 | I331-G333 PolarHBondContact O-N 3.32Š| ||
| 332 | I | 46.5 | Very low | 44.3 | Very low | 68 Ų | 68 | 125.5 Ų | 125.5 | 35% | 0.349 | 70% | 0.695 | S | S | . | * | trans | -51.4 | 119 | 175 | -75.3 | 170.6 | 0 | 0 | 0 | 110 | E330 N334 E337 I338 L341 | E330-I332 PolarHBondContact O-N 3.4Å; I332-N334 VanDerWaalsContact CG2-O 3.31Å; I332-N334 WeakPolarHBondContact CG2-O 3.43Å; I332-E337 HydrophobicContact CG2-CB 3.81Å; I332-I338 HydrophobicContact CG2-CG1 4.18Å; I332-L341 HydrophobicContact CD1-CD2 3.92Å | ||
| 333 | G | 46.4 | Very low | 44.6 | Very low | 81 Ų | 81 | 123.5 Ų | 123.5 | 84% | 0.835 | 69% | 0.689 | S | S | * | * | trans | -85.5 | -10 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | I331 | I331-G333 PolarHBondContact O-N 3.32Š| ||
| 334 | N | 54.9 | Low | 44.8 | Very low | 76 Ų | 76 | 123.8 Ų | 123.8 | 41% | 0.406 | 69% | 0.69 | S | S | . | * | S | Bend | trans | -139 | 135.2 | -171.6 | -168 | -3.1 | 0 | 0 | 0 | 112.4 | I332 M336 E337 | I332-N334 VanDerWaalsContact CG2-O 3.31Å; I332-N334 WeakPolarHBondContact CG2-O 3.43Å; N334-M336 VanDerWaalsContact C-N 3.27Å; N334-M336 PolarHBondContact O-N 3Å; N334-E337 WeakPolarHBondContact CB-OE1 3.5Å; N334-E337 PolarHBondContact O-N 3.33Å |
| 335 | I | 62.3 | Low | 44.9 | Very low | 135 Ų | 135 | 126 Ų | 126 | 69% | 0.692 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -70.3 | -18.9 | -169.8 | -161.1 | 165.4 | 0 | 0 | 0 | 114 | I338 | I335-I338 HydrophobicContact CG1-CD1 4.35Å |
| 336 | M | 44.9 | Very low | 44.9 | Very low | 136 Ų | 136 | 123.8 Ų | 123.8 | 67% | 0.67 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -75.1 | -24.2 | 176 | -88.6 | 177.4 | -79.9 | 0 | 0 | 114.2 | N334 I338 S339 | N334-M336 VanDerWaalsContact C-N 3.27Å; N334-M336 PolarHBondContact O-N 3Å; M336-I338 VanDerWaalsContact C-N 3.26Å; M336-I338 PolarHBondContact O-N 2.92Å; M336-S339 PolarHBondContact O-N 2.99Å |
| 337 | E | 52.4 | Low | 44.9 | Very low | 91 Ų | 91 | 123.1 Ų | 123.1 | 43% | 0.425 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -68.4 | -29 | -179.9 | -73 | 154.8 | -148.2 | 0 | 0 | 111.7 | I332 N334 S339 N340 L341 | I332-E337 HydrophobicContact CG2-CB 3.81Å; N334-E337 WeakPolarHBondContact CB-OE1 3.5Å; N334-E337 PolarHBondContact O-N 3.33Å; E337-S339 PolarHBondContact O-N 3.08Å; E337-N340 PolarHBondContact O-N 3.04Å; E337-L341 PolarHBondContact O-N 3.22Å |
| 338 | I | 55.9 | Low | 44.6 | Very low | 82 Ų | 82 | 125.1 Ų | 125.1 | 42% | 0.421 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -62.4 | -39.6 | 179.3 | -52.3 | 179.1 | 0 | 0 | 0 | 111.7 | I332 I335 M336 N340 L341 L342 | I332-I338 HydrophobicContact CG2-CG1 4.18Å; I335-I338 HydrophobicContact CG1-CD1 4.35Å; M336-I338 VanDerWaalsContact C-N 3.26Å; M336-I338 PolarHBondContact O-N 2.92Å; I338-N340 VanDerWaalsContact C-N 3.33Å; I338-N340 PolarHBondContact O-N 2.85Å; I338-L341 PolarHBondContact O-N 2.85Å; I338-L342 HydrophobicContact CG2-CD1 4.34Å; I338-L342 PolarHBondContact O-N 2.87Å |
| 339 | S | 48.6 | Very low | 44.2 | Very low | 75 Ų | 75 | 126.5 Ų | 126.5 | 52% | 0.524 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -64.9 | -35.5 | -179.1 | -65.2 | 0 | 0 | 0 | 0 | 112.8 | M336 E337 | M336-S339 PolarHBondContact O-N 2.99Å; E337-S339 PolarHBondContact O-N 3.08Å |
| 340 | N | 51.6 | Low | 44.2 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 67% | 0.674 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -77 | -28.4 | 177.6 | -71.3 | -26.6 | 0 | 0 | 0 | 112.2 | E337 I338 L342 | E337-N340 PolarHBondContact O-N 3.04Å; I338-N340 VanDerWaalsContact C-N 3.33Å; I338-N340 PolarHBondContact O-N 2.85Å; N340-L342 VanDerWaalsContact C-N 3.29Å; N340-L342 PolarHBondContact O-N 2.93Å |
| 341 | L | 55.6 | Low | 43.5 | Very low | 126 Ų | 126 | 125.8 Ų | 125.8 | 66% | 0.66 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -67.3 | -27.8 | 176.3 | -127.3 | 74.9 | 0 | 0 | 0 | 113.2 | I332 E337 I338 | I332-L341 HydrophobicContact CD1-CD2 3.92Å; E337-L341 PolarHBondContact O-N 3.22Å; I338-L341 PolarHBondContact O-N 2.85Å |
| 342 | L | 49.6 | Very low | 42.5 | Very low | 143 Ų | 143 | 123.9 Ų | 123.9 | 75% | 0.749 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -6.5 | -174.4 | -78.2 | 165.1 | 0 | 0 | 0 | 115.1 | I338 N340 | I338-L342 HydrophobicContact CG2-CD1 4.34Å; I338-L342 PolarHBondContact O-N 2.87Å; N340-L342 VanDerWaalsContact C-N 3.29Å; N340-L342 PolarHBondContact O-N 2.93Å |
| 343 | Q | 40.1 | Very low | 41.5 | Very low | 168 Ų | 168 | 128.5 Ų | 128.5 | 79% | 0.785 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -110.8 | -0.8 | -172.2 | -64.7 | -165.9 | -1.1 | 0 | 0 | 115.9 | ||
| 344 | K | 41.4 | Very low | 40.6 | Very low | 195 Ų | 195 | 129.4 Ų | 129.4 | 85% | 0.848 | 67% | 0.67 | S | S | * | * | trans | -114.7 | 116.6 | 177.7 | -79.6 | -173.6 | 172.8 | -178.8 | 0 | 113.2 | ||||
| 345 | K | 30.8 | Very low | 39.2 | Very low | 191 Ų | 191 | 133.2 Ų | 133.2 | 83% | 0.83 | 69% | 0.691 | S | S | * | * | trans | -112.3 | 133.5 | 163.5 | -77.9 | -175.1 | 174.4 | -178.9 | 0 | 109.8 | ||||
| 346 | S | 32.9 | Very low | 37.6 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 80% | 0.804 | 69% | 0.693 | S | S | * | * | trans | 58.9 | 146.4 | 160.9 | 53.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 347 | V | 28.4 | Very low | 36.6 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | cis | -148.1 | 166.9 | 45.5 | 164.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 348 | S | 28.8 | Very low | 35.4 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | trans | -49.6 | 171.3 | 167.8 | 46.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 349 | E | 27.4 | Very low | 34 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | cis | 177.1 | 160.1 | -17.9 | -178 | -163.2 | 127.6 | 0 | 0 | 105.1 | ||||
| 350 | K | 32.7 | Very low | 32.8 | Very low | 161 Ų | 161 | 136.8 Ų | 136.8 | 70% | 0.7 | 75% | 0.748 | S | S | * | * | trans | 74.8 | 156.8 | 171.5 | -48.7 | -169.7 | -175.5 | -179.5 | 0 | 115.6 | ||||
| 351 | D | 29.5 | Very low | 31.7 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 68% | 0.679 | 75% | 0.752 | S | S | * | * | cis | -150 | 171.3 | -1.8 | -129.5 | -31.9 | 0 | 0 | 0 | 111.9 | ||||
| 352 | I | 31.5 | Very low | 31.1 | Very low | 127 Ų | 127 | 135.4 Ų | 135.4 | 65% | 0.651 | 75% | 0.751 | S | S | * | * | trans | 54.1 | 101 | 150.4 | -62.7 | 164.9 | 0 | 0 | 0 | 120 | ||||
| 353 | Q | 26.3 | Very low | 29.9 | Very low | 165 Ų | 165 | 135 Ų | 135 | 77% | 0.771 | 75% | 0.745 | S | S | * | * | 66 | 151.8 | 110.4 | -130 | 173.4 | -24.8 | 0 | 0 | 124.1 | |||||
| 354 | T | 27 | Very low | 29.5 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 61% | 0.607 | 74% | 0.74 | S | S | * | * | trans | 69.1 | 115.9 | 157.7 | 38.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 355 | D | 25.4 | Very low | 28.9 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 83% | 0.834 | 73% | 0.728 | S | S | * | * | 64.5 | 160.3 | 124.1 | -49.4 | -11.8 | 0 | 0 | 0 | 123.1 | |||||
| 356 | G | 28.4 | Very low | 29 | Very low | 72 Ų | 72 | 129.5 Ų | 129.5 | 74% | 0.742 | 72% | 0.721 | S | S | * | * | trans | 85.7 | 117.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 357 | E | 25 | Very low | 28.9 | Very low | 202 Ų | 202 | 128.9 Ų | 128.9 | 94% | 0.944 | 71% | 0.712 | S | S | * | * | cis | 69.4 | 113.7 | 32.6 | -163.5 | 172.8 | -154.8 | 0 | 0 | 115.2 | ||||
| 358 | G | 27.2 | Very low | 29.1 | Very low | 74 Ų | 74 | 131.7 Ų | 131.7 | 76% | 0.763 | 71% | 0.714 | S | S | * | * | trans | 74.7 | 173.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 359 | S | 25.2 | Very low | 29.5 | Very low | 100 Ų | 100 | 131.5 Ų | 131.5 | 70% | 0.699 | 71% | 0.713 | S | S | * | * | cis | -162.3 | 149.5 | -23.8 | -164.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 360 | N | 24 | Very low | 29.5 | Very low | 147 Ų | 147 | 132.5 Ų | 132.5 | 79% | 0.786 | 72% | 0.717 | S | S | * | * | trans | 57.2 | 137.7 | 159.7 | -65.6 | -18.7 | 0 | 0 | 0 | 121.6 | ||||
| 361 | T | 27.6 | Very low | 29.5 | Very low | 122 Ų | 122 | 132 Ų | 132 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | trans | -47.1 | 177.3 | 145.9 | 56.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 362 | P | 44.1 | Very low | 29.6 | Very low | 100 Ų | 100 | 129.6 Ų | 129.6 | 65% | 0.649 | 71% | 0.714 | S | S | * | * | cis | -154.3 | -159.6 | 24.2 | 46.5 | -23.7 | 0 | 0 | 0 | 117.3 | ||||
| 363 | E | 25 | Very low | 29.6 | Very low | 134 Ų | 134 | 131 Ų | 131 | 63% | 0.626 | 72% | 0.722 | S | S | * | * | trans | 68.1 | 118 | 148.6 | -72.1 | -165.8 | 153.3 | 0 | 0 | 119.9 | ||||
| 364 | R | 30.7 | Very low | 30.2 | Very low | 180 Ų | 180 | 129 Ų | 129 | 68% | 0.679 | 72% | 0.723 | S | S | * | * | 89.9 | 156.1 | 98.8 | -76.7 | -179.1 | -166.2 | -138.8 | 35.4 | 112.7 | |||||
| 365 | H | 29.9 | Very low | 30.9 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 58% | 0.583 | 74% | 0.735 | S | S | * | * | cis | -167.3 | 168 | -5.6 | -119.3 | -18.5 | 0 | 0 | 0 | 109.4 | ||||
| 366 | I | 31.6 | Very low | 31.8 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 69% | 0.687 | 73% | 0.73 | S | S | * | * | trans | 62.9 | 145 | 140.3 | -67.4 | 166.8 | 0 | 0 | 0 | 118.4 | ||||
| 367 | T | 31.3 | Very low | 31.8 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 63% | 0.626 | 73% | 0.733 | S | S | * | * | cis | -165.3 | 170 | -28.3 | 42 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 368 | K | 33.6 | Very low | 32 | Very low | 186 Ų | 186 | 133 Ų | 133 | 81% | 0.809 | 72% | 0.719 | S | S | * | * | trans | 31.9 | 146.7 | 131.8 | -63.2 | 176 | 179.9 | -172.4 | 0 | 120.4 | ||||
| 369 | S | 35.8 | Very low | 32.1 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | cis | -174.8 | -154.5 | -2.4 | 46.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 370 | E | 28.6 | Very low | 32.6 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 80% | 0.799 | 71% | 0.713 | S | S | * | * | trans | 81.6 | 135.6 | 170.2 | -52.6 | -170.8 | 158.4 | 0 | 0 | 115.4 | ||||
| 371 | I | 31.1 | Very low | 32.9 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | cis | 116.1 | 86.5 | 18.9 | -69.4 | 163.7 | 0 | 0 | 0 | 112.2 | ||||
| 372 | S | 32.5 | Very low | 33.1 | Very low | 77 Ų | 77 | 137.4 Ų | 137.4 | 54% | 0.538 | 71% | 0.713 | S | S | . | * | 46.7 | 135.7 | 127.7 | -46.6 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 373 | L | 30.8 | Very low | 32.5 | Very low | 156 Ų | 156 | 136.6 Ų | 136.6 | 82% | 0.817 | 72% | 0.715 | S | S | * | * | trans | 76.1 | 163.9 | 161.3 | -48.4 | -176.7 | 0 | 0 | 0 | 117.2 | ||||
| 374 | P | 38.9 | Very low | 32.6 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 81% | 0.805 | 72% | 0.72 | S | S | * | * | cis | -126.7 | -171.8 | -15.9 | 22.6 | 1.8 | 0 | 0 | 0 | 114.1 | ||||
| 375 | M | 43.1 | Very low | 32.5 | Very low | 172 Ų | 172 | 135.2 Ų | 135.2 | 85% | 0.847 | 72% | 0.724 | S | S | * | * | trans | -111.4 | 158.1 | 170.5 | -80.5 | -179.1 | 62.5 | 0 | 0 | 112.7 | ||||
| 376 | P | 44.3 | Very low | 32.3 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 74% | 0.74 | 73% | 0.727 | S | S | * | * | -153.3 | 179.9 | 112.5 | 40 | -22.9 | 0 | 0 | 0 | 117.2 | |||||
| 377 | Y | 27.5 | Very low | 32.2 | Very low | 206 Ų | 206 | 136.2 Ų | 136.2 | 81% | 0.808 | 73% | 0.734 | S | S | * | * | trans | 76.3 | 150.3 | 160.4 | -102.6 | -138 | 0 | 0 | 0 | 118.9 | ||||
| 378 | N | 29.6 | Very low | 32.1 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 64% | 0.642 | 74% | 0.737 | S | S | * | * | cis | -149.2 | 170.2 | 3.8 | -159 | 12.8 | 0 | 0 | 0 | 114 | ||||
| 379 | S | 28.5 | Very low | 31.8 | Very low | 83 Ų | 83 | 137.8 Ų | 137.8 | 58% | 0.58 | 73% | 0.733 | S | S | * | * | trans | -72.8 | -173.1 | -173.5 | -42.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 380 | E | 35.4 | Very low | 31.3 | Very low | 160 Ų | 160 | 138 Ų | 138 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | cis | -161.8 | -166.6 | 7.4 | -143.4 | 139.8 | -105.8 | 0 | 0 | 113.4 | ||||
| 381 | I | 31.9 | Very low | 31.2 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 80% | 0.795 | 74% | 0.737 | S | S | * | * | trans | 92.3 | 119.4 | 177.8 | -53.8 | 171.7 | 0 | 0 | 0 | 115.2 | ||||
| 382 | N | 31.3 | Very low | 30.8 | Very low | 138 Ų | 138 | 131.2 Ų | 131.2 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | cis | -170.5 | 150.1 | -26.5 | -101.1 | -10.5 | 0 | 0 | 0 | 106.6 | ||||
| 383 | A | 30.4 | Very low | 30.5 | Very low | 84 Ų | 84 | 138 Ų | 138 | 69% | 0.694 | 75% | 0.751 | S | S | * | * | cis | -168.3 | -174.9 | -21.5 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 384 | E | 28.8 | Very low | 30.3 | Very low | 159 Ų | 159 | 136.5 Ų | 136.5 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | cis | -159.5 | 179 | 0 | -176.3 | 29.5 | -121.5 | 0 | 0 | 107.7 | ||||
| 385 | T | 26.9 | Very low | 29.8 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 77% | 0.767 | 74% | 0.739 | S | S | * | * | trans | 95.3 | 43.9 | 159 | -22.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 386 | G | 27.2 | Very low | 29.1 | Very low | 62 Ų | 62 | 134.9 Ų | 134.9 | 64% | 0.639 | 74% | 0.736 | S | S | * | * | 64.4 | 151 | 117.1 | 0 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 387 | R | 29.1 | Very low | 28.5 | Very low | 220 Ų | 220 | 134.8 Ų | 134.8 | 83% | 0.83 | 74% | 0.738 | S | S | * | * | trans | 74.3 | 152.6 | 162 | -55.8 | -170 | -165.2 | -88.6 | 7.8 | 115.7 | ||||
| 388 | R | 28.6 | Very low | 29.5 | Very low | 185 Ų | 185 | 130.3 Ų | 130.3 | 70% | 0.698 | 73% | 0.734 | S | S | * | * | cis | -156.4 | 143.5 | -3.1 | -127.3 | 179.9 | -159.2 | -100.9 | 7.6 | 110.5 | ||||
| 389 | L | 28.5 | Very low | 29.6 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 71% | 0.707 | 74% | 0.741 | S | S | * | * | trans | 46.8 | 142.6 | 135.4 | -73.8 | 174.9 | 0 | 0 | 0 | 124.1 | ||||
| 390 | S | 24.9 | Very low | 29.5 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -82.4 | 165.8 | 148 | 52.4 | 0 | 0 | 0 | 0 | 112.4 | ||
| 391 | A | 25 | Very low | 29.1 | Very low | 104 Ų | 104 | 129 Ų | 129 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | trans | 65.1 | 131.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 392 | G | 23.6 | Very low | 29 | Very low | 74 Ų | 74 | 129.6 Ų | 129.6 | 76% | 0.763 | 75% | 0.75 | S | S | * | * | trans | 167.9 | 66.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 393 | R | 25.6 | Very low | 28.8 | Very low | 220 Ų | 220 | 127.1 Ų | 127.1 | 83% | 0.83 | 75% | 0.748 | S | S | * | * | trans | 55.9 | 116.2 | 131.6 | -152.7 | 175 | -160.3 | 167.4 | 7.5 | 120.7 | ||||
| 394 | D | 26.6 | Very low | 28.8 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 66% | 0.658 | 75% | 0.751 | S | S | * | * | trans | 42.3 | 154.6 | 134.9 | -37.2 | -27.8 | 0 | 0 | 0 | 123.2 | ||||
| 395 | T | 30 | Very low | 28.9 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | trans | 80.3 | 105.8 | 160.5 | 65.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 396 | N | 27.3 | Very low | 29.1 | Very low | 146 Ų | 146 | 124.3 Ų | 124.3 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | 65.1 | 111.9 | 124.2 | -51.9 | -20.3 | 0 | 0 | 0 | 121.2 | |||||
| 397 | S | 31.3 | Very low | 29.3 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | 5.3 | 149.1 | 116.4 | -53.4 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 398 | P | 49 | Very low | 29.3 | Very low | 112 Ų | 112 | 121.9 Ų | 121.9 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | cis | -156.6 | 177.7 | 45.7 | 44.4 | -24 | 0 | 0 | 0 | 120.1 | ||||
| 399 | C | 30.9 | Very low | 29.2 | Very low | 117 Ų | 117 | 117.5 Ų | 117.5 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | trans | 66.7 | 149.3 | 153.9 | -70.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 400 | L | 27.9 | Very low | 29.3 | Very low | 158 Ų | 158 | 117.7 Ų | 117.7 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | cis | -122.4 | 179.3 | 5.1 | -75.2 | 173 | 0 | 0 | 0 | 110.9 | ||||
| 401 | G | 25.9 | Very low | 29.4 | Very low | 59 Ų | 59 | 120.6 Ų | 120.6 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | cis | 126.5 | 146 | -3.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 402 | I | 29.8 | Very low | 29.5 | Very low | 168 Ų | 168 | 121.1 Ų | 121.1 | 86% | 0.862 | 74% | 0.738 | S | S | * | * | trans | 71.1 | 124.5 | 176.6 | -53.6 | 179.4 | 0 | 0 | 0 | 114.6 | ||||
| 403 | A | 27.4 | Very low | 29.5 | Very low | 86 Ų | 86 | 129.2 Ų | 129.2 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | cis | -157.2 | 160 | -6.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 404 | A | 30.5 | Very low | 29.6 | Very low | 90 Ų | 90 | 122.6 Ų | 122.6 | 74% | 0.744 | 75% | 0.745 | S | S | * | * | trans | 54.9 | 135.6 | 148.5 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 405 | C | 30.7 | Very low | 29.7 | Very low | 118 Ų | 118 | 125.2 Ų | 125.2 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | cis | -167.1 | 148.6 | -11.4 | -106.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 406 | S | 30.9 | Very low | 30.6 | Very low | 101 Ų | 101 | 125.2 Ų | 125.2 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | cis | -127.7 | -59.7 | -10.4 | -54.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 407 | A | 32.6 | Very low | 30.6 | Very low | 86 Ų | 86 | 121.7 Ų | 121.7 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | cis | -164.1 | 131.7 | -35.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 408 | L | 28 | Very low | 30.9 | Very low | 146 Ų | 146 | 122 Ų | 122 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | cis | -144.7 | 120.5 | -19.9 | -87.2 | -176.9 | 0 | 0 | 0 | 105.4 | ||||
| 409 | S | 27.6 | Very low | 30.8 | Very low | 93 Ų | 93 | 122.9 Ų | 122.9 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | 65.8 | 116.2 | 93.1 | 87.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 410 | E | 29 | Very low | 30.6 | Very low | 139 Ų | 139 | 121.7 Ų | 121.7 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | cis | -156.1 | 156.4 | 13.9 | -73.4 | -149.8 | 117.7 | 0 | 0 | 114.5 | ||||
| 411 | K | 27.4 | Very low | 30.5 | Very low | 163 Ų | 163 | 120.3 Ų | 120.3 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | trans | 59.6 | 158 | 135.1 | -75.2 | 175.3 | -167.3 | 149.8 | 0 | 121.1 | ||||
| 412 | V | 27.2 | Very low | 30.6 | Very low | 116 Ų | 116 | 120.7 Ų | 120.7 | 70% | 0.703 | 76% | 0.755 | S | S | * | * | cis | -163 | 159.9 | -22.3 | 116.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 413 | R | 24.9 | Very low | 30.5 | Very low | 244 Ų | 244 | 123.3 Ų | 123.3 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | trans | 9.7 | 144 | 161.9 | -55.9 | 172.2 | 179.2 | -168.7 | -1 | 121.2 | ||||
| 414 | G | 26.6 | Very low | 30.6 | Very low | 80 Ų | 80 | 125.8 Ų | 125.8 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | 173.7 | 98.2 | 150.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 415 | E | 28.6 | Very low | 30.5 | Very low | 179 Ų | 179 | 125.5 Ų | 125.5 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | trans | -117.4 | 158.1 | 145.3 | -94.3 | -84.4 | 163.6 | 0 | 0 | 105.6 | ||||
| 416 | P | 49.7 | Very low | 31.2 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | cis | -128.4 | -169.2 | 0.9 | 43.3 | -28.7 | 0 | 0 | 0 | 113.3 | ||||
| 417 | G | 27 | Very low | 31.1 | Very low | 71 Ų | 71 | 128.9 Ų | 128.9 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | trans | 131.8 | 119.8 | 142.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 418 | S | 38.2 | Very low | 30.9 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | -83.8 | 151.4 | 149 | -56.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 419 | P | 45.6 | Very low | 31.2 | Very low | 131 Ų | 131 | 133 Ų | 133 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | -147.7 | -178.6 | 91.4 | 39.9 | -22.9 | 0 | 0 | 0 | 115.5 | |||||
| 420 | A | 26.7 | Very low | 31.4 | Very low | 92 Ų | 92 | 135.6 Ų | 135.6 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | trans | -83.3 | -154.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 421 | V | 27.1 | Very low | 31.4 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | 94.2 | 137 | 167.9 | -173.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 422 | A | 26.8 | Very low | 31.4 | Very low | 67 Ų | 67 | 132.3 Ų | 132.3 | 55% | 0.554 | 77% | 0.77 | S | S | * | * | cis | -176.3 | 167.4 | -34.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 423 | R | 28.9 | Very low | 31.7 | Very low | 224 Ų | 224 | 132.4 Ų | 132.4 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | trans | 71.8 | 162 | 171.4 | -42.9 | 172.2 | -176.8 | 102.8 | -1.7 | 111.3 | ||||
| 424 | V | 28.6 | Very low | 32.3 | Very low | 138 Ų | 138 | 126.8 Ų | 126.8 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | cis | -130.6 | 167.1 | 15 | -172.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 425 | A | 28.3 | Very low | 32.5 | Very low | 84 Ų | 84 | 129.9 Ų | 129.9 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | trans | -72.5 | -166.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 426 | P | 46.6 | Very low | 32.5 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | cis | -146.3 | -164.1 | 7.6 | 44.4 | -23.2 | 0 | 0 | 0 | 117 | ||||
| 427 | H | 28.5 | Very low | 31.6 | Very low | 180 Ų | 180 | 132.1 Ų | 132.1 | 83% | 0.833 | 76% | 0.764 | S | S | * | * | trans | 95.7 | 148.4 | 146.2 | -97.3 | 66.6 | 0 | 0 | 0 | 121.9 | ||||
| 428 | R | 28.6 | Very low | 31.6 | Very low | 209 Ų | 209 | 135 Ų | 135 | 79% | 0.789 | 76% | 0.759 | S | S | * | * | trans | -125.7 | -179 | 179.6 | 164.1 | 179.6 | 169.3 | 172.2 | 0.1 | 106.4 | ||||
| 429 | V | 33.4 | Very low | 31.2 | Very low | 111 Ų | 111 | 138 Ų | 138 | 67% | 0.673 | 76% | 0.757 | S | S | * | * | trans | 93.2 | 131.9 | 170.6 | -178.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 430 | E | 32.1 | Very low | 31 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | cis | -154.5 | 170.4 | -25.2 | -112.5 | 150.9 | -142.5 | 0 | 0 | 105.5 | ||||
| 431 | I | 29.7 | Very low | 31.1 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | -169.8 | 135.3 | 64.3 | -70.3 | 164.8 | 0 | 0 | 0 | 102.7 | |||||
| 432 | G | 26 | Very low | 31.5 | Very low | 69 Ų | 69 | 138.4 Ų | 138.4 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | 110.8 | 116.6 | 57.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 433 | S | 34.8 | Very low | 31.8 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -97.9 | 158.3 | -175.1 | -45.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 434 | P | 36.8 | Very low | 32 | Very low | 125 Ų | 125 | 145.2 Ų | 145.2 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | trans | -137.5 | 155.3 | 130.9 | 36 | -24.2 | 0 | 0 | 0 | 115 | ||||
| 435 | N | 29.7 | Very low | 32 | Very low | 146 Ų | 146 | 145.7 Ų | 145.7 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | trans | -78.8 | 161.6 | 170 | -77.8 | -90.2 | 0 | 0 | 0 | 111.3 | ||||
| 436 | L | 30.2 | Very low | 32.2 | Very low | 148 Ų | 148 | 144.9 Ų | 144.9 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | 163.4 | 139.2 | 110.5 | -88.3 | 168.3 | 0 | 0 | 0 | 113.9 | |||||
| 437 | R | 29.8 | Very low | 31.7 | Very low | 194 Ų | 194 | 147 Ų | 147 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | trans | 67.5 | 161.5 | 149.3 | -65.4 | 159.6 | 64.2 | 175.4 | -1.4 | 115.5 | ||||
| 438 | Q | 27.3 | Very low | 32.1 | Very low | 132 Ų | 132 | 146.7 Ų | 146.7 | 62% | 0.617 | 76% | 0.761 | S | S | * | * | cis | -158.3 | 140.3 | -14.9 | -118 | 162.7 | -27.3 | 0 | 0 | 108.8 | ||||
| 439 | K | 29.2 | Very low | 32.2 | Very low | 182 Ų | 182 | 140 Ų | 140 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | 46.7 | 138.7 | 158.1 | -61 | -177.1 | 177.7 | -177.1 | 0 | 120.1 | P441 | K439-P441 VanDerWaalsContact O-CD 3.22Å; K439-P441 WeakPolarHBondContact O-CD 3.36Å | ||
| 440 | P | 41.5 | Very low | 32.5 | Very low | 135 Ų | 135 | 143.7 Ų | 143.7 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | trans | -86.4 | 126.6 | 164.8 | 33.4 | -31.9 | 0 | 0 | 0 | 113.3 | ||||
| 441 | P | 29.2 | Very low | 32.5 | Very low | 111 Ų | 111 | 145.4 Ų | 145.4 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | trans | -134.8 | 179.8 | 153.3 | 44 | -32.6 | 0 | 0 | 0 | 111.5 | K439 | K439-P441 VanDerWaalsContact O-CD 3.22Å; K439-P441 WeakPolarHBondContact O-CD 3.36Å | ||
| 442 | P | 34.7 | Very low | 32.9 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | -132.7 | 158.9 | -60.4 | 39 | -24.6 | 0 | 0 | 0 | 114 | |||||
| 443 | R | 33.3 | Very low | 33.5 | Very low | 232 Ų | 232 | 147.4 Ų | 147.4 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | trans | 19.4 | 149.1 | 137.1 | -151.3 | -175.6 | -166.5 | 136.7 | 2.2 | 121.3 | ||||
| 444 | R | 33.9 | Very low | 33.8 | Very low | 202 Ų | 202 | 151.2 Ų | 151.2 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | 89.1 | 146.6 | 163.6 | -48.1 | -170.6 | 77.5 | -174.1 | -0.8 | 114.7 | ||||
| 445 | E | 28 | Very low | 34 | Very low | 148 Ų | 148 | 150.7 Ų | 150.7 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | cis | -146.6 | 175.3 | -5.9 | -152 | 53.1 | 108.1 | 0 | 0 | 113.2 | ||||
| 446 | A | 33.9 | Very low | 34.6 | Very low | 66 Ų | 66 | 149.8 Ų | 149.8 | 55% | 0.545 | 78% | 0.782 | S | S | . | * | trans | -83.6 | 165.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 447 | N | 34.5 | Very low | 35.1 | Very low | 153 Ų | 153 | 151.4 Ų | 151.4 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | 66.1 | 151.2 | 163.2 | -56.7 | -49.7 | 0 | 0 | 0 | 115.9 | ||||
| 448 | L | 38.1 | Very low | 35.3 | Very low | 175 Ų | 175 | 147.3 Ų | 147.3 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | cis | -130.7 | 167.4 | 15.4 | -61.2 | 151.1 | 0 | 0 | 0 | 109 | ||||
| 449 | G | 31.1 | Very low | 35.8 | Very low | 69 Ų | 69 | 146.9 Ų | 146.9 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | cis | 148 | 132 | -2.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 450 | L | 38.5 | Very low | 36.6 | Very low | 187 Ų | 187 | 142.6 Ų | 142.6 | 98% | 0.979 | 79% | 0.791 | S | S | * | * | trans | -171.8 | 129.1 | 159.4 | -104.8 | 176.3 | 0 | 0 | 0 | 107.5 | ||||
| 451 | Q | 31.5 | Very low | 36.8 | Very low | 184 Ų | 184 | 140.5 Ų | 140.5 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | -123.2 | 112.2 | -162.8 | -173.1 | 169.3 | -1.4 | 0 | 0 | 112 | ||||
| 452 | L | 39.9 | Very low | 38.2 | Very low | 160 Ų | 160 | 141.3 Ų | 141.3 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 137 | 164.7 | -74.5 | 167.1 | 0 | 0 | 0 | 109.4 | K454 | L452-K454 PolarHBondContact O-N 3.45Š|
| 453 | P | 38.4 | Very low | 39.9 | Very low | 114 Ų | 114 | 137 Ų | 137 | 74% | 0.74 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 131.7 | -179.4 | 27.3 | -33.7 | 0 | 0 | 0 | 110.7 | ||
| 454 | K | 40.1 | Very low | 42.4 | Very low | 198 Ų | 198 | 127.9 Ų | 127.9 | 86% | 0.861 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 142 | 167.2 | -78.1 | -174.3 | 174.2 | -177.7 | 0 | 109.3 | L452 | L452-K454 PolarHBondContact O-N 3.45Š|
| 455 | P | 41.7 | Very low | 45 | Very low | 115 Ų | 115 | 119.6 Ų | 119.6 | 75% | 0.747 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 148.1 | 168.7 | 28.1 | -34.5 | 0 | 0 | 0 | 109.9 | E457 | P455-E457 PolarHBondContact O-N 3.09Š|
| 456 | P | 40.9 | Very low | 48 | Very low | 127 Ų | 127 | 115.9 Ų | 115.9 | 83% | 0.825 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 129.8 | -176.9 | 25.9 | -34.1 | 0 | 0 | 0 | 111.1 | ||
| 457 | E | 41.9 | Very low | 50.7 | Low | 181 Ų | 181 | 112.9 Ų | 112.9 | 85% | 0.846 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 135.1 | 176.4 | -164.7 | 163.6 | -155.3 | 0 | 0 | 109.9 | P455 | P455-E457 PolarHBondContact O-N 3.09Š|
| 458 | P | 34.5 | Very low | 53.3 | Low | 108 Ų | 108 | 110.1 Ų | 110.1 | 70% | 0.701 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 140.5 | -178 | 26.5 | -34.5 | 0 | 0 | 0 | 110.4 | A460 | P458-A460 PolarHBondContact O-N 3.2Å; P458-A460 VanDerWaalsContact O-N 3.1Å |
| 459 | P | 36.6 | Very low | 55.7 | Low | 124 Ų | 124 | 103.7 Ų | 103.7 | 81% | 0.805 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 118.6 | -172.8 | 24.1 | -34 | 0 | 0 | 0 | 111.1 | V461 | P459-V461 PolarHBondContact O-N 3.38Š|
| 460 | A | 46.2 | Very low | 58.5 | Low | 92 Ų | 92 | 105.1 Ų | 105.1 | 76% | 0.76 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 122.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | P458 E462 | P458-A460 PolarHBondContact O-N 3.2Å; P458-A460 VanDerWaalsContact O-N 3.1Å; A460-E462 VanDerWaalsContact C-N 3.33Å; A460-E462 PolarHBondContact O-N 3.38Å |
| 461 | V | 47 | Very low | 60.8 | Low | 90 Ų | 90 | 97.8 Ų | 97.8 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | trans | -75.5 | 91.5 | 175.8 | 179.3 | 0 | 0 | 0 | 0 | 108 | P459 A463 K518 | P459-V461 PolarHBondContact O-N 3.38Å; V461-A463 PolarHBondContact O-N 2.88Å; V461-K518 HydrophobicContact CG1-CD 4.33Å; V461-K518 HydrophobicContact CG1-CG 3.99Å | ||
| 462 | E | 57.4 | Low | 63.3 | Low | 129 Ų | 129 | 95.9 Ų | 95.9 | 60% | 0.603 | 53% | 0.534 | S | S | * | . | trans | -49.8 | 108.5 | 166 | -72.2 | 179.1 | -160.4 | 0 | 0 | 109.4 | A460 K519 | A460-E462 VanDerWaalsContact C-N 3.33Å; A460-E462 PolarHBondContact O-N 3.38Å; E462-K519 HydrophobicContact CB-CD 4.06Å; E462-K519 IonicContact OE2-NZ 3.2Å; E462-K519 PolarHBondContact OE2-NZ 3.06Å | ||
| 463 | A | 70.3 | Confident | 65.3 | Low | 23 Ų | 23 | 89 Ų | 89 | 19% | 0.19 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 112.7 | 174 | 0 | 0 | 0 | 0 | 0 | 107.1 | V461 Y465 K516 | V461-A463 PolarHBondContact O-N 2.88Å; A463-Y465 WeakPolarHBondContact O-CD2 3.21Å; A463-Y465 WeakPolarHBondContact O-CE2 3.24Å; A463-K516 HydrophobicContact CB-CD 4.27Å; A463-K516 HydrophobicContact CB-CG 3.98Å |
| 464 | E | 85.3 | Confident | 66.9 | Low | 41 Ų | 41 | 89.4 Ų | 89.4 | 19% | 0.192 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 143.6 | 175.8 | -74 | 175.8 | 145.6 | 0 | 0 | 109.2 | Y466 K486 R517 K519 | E464-Y466 HydrophobicContact CB-CD2 4.47Å; E464-Y466 HydrophobicContact CB-CE2 3.84Å; E464-K486 WeakPolarHBondContact OE1-CE 3.4Å; E464-K486 IonicContact OE1-NZ 2.79Å; E464-K486 PolarHBondContact OE1-NZ 2.95Å; E464-R517 PolarHBondContact N-O 3.42Å; E464-R517 VanDerWaalsContact N-O 3.12Å; E464-R517 WeakPolarHBondContact O-CA 3.49Å; E464-R517 PolarHBondContact O-N 3.11Å; E464-R517 VanDerWaalsContact O-O 3.08Å; E464-K519 VanDerWaalsContact OE1-CE 3.25Å; E464-K519 WeakPolarHBondContact OE1-CE 3.11Å; E464-K519 IonicContact OE1-NZ 2.72Å; E464-K519 PolarHBondContact OE1-NZ 3.14Å; E464-K519 WeakPolarHBondContact OE2-CE 3.31Å; E464-K519 IonicContact OE2-NZ 2.63Å |
| 465 | Y | 90.1 | Very high | 68.7 | Low | 28 Ų | 28 | 83.9 Ų | 83.9 | 11% | 0.11 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 146.3 | 176.3 | -50.8 | -101.9 | 0 | 0 | 0 | 108.8 | A463 A487 V489 K492 W498 I514 D515 K516 | A463-Y465 WeakPolarHBondContact O-CD2 3.21Å; A463-Y465 WeakPolarHBondContact O-CE2 3.24Å; Y465-A487 WeakPolarHBondContact CB-O 3.38Å; Y465-A487 PolarHBondContact O-N 2.89Å; Y465-A487 VanDerWaalsContact O-O 3.08Å; Y465-V489 HydrophobicContact CD1-CG2 3.91Å; Y465-V489 HydrophobicContact CD2-CB 4.05Å; Y465-V489 HydrophobicContact CD2-CG2 3.51Å; Y465-V489 HydrophobicContact CE1-CG2 4.39Å; Y465-V489 HydrophobicContact CE2-CB 4.17Å; Y465-V489 HydrophobicContact CE2-CG2 4.07Å; Y465-V489 HydrophobicContact CG-CB 4.42Å; Y465-V489 HydrophobicContact CG-CG2 3.45Å; Y465-V489 VanDerWaalsContact CG-CG2 3.45Å; Y465-K492 PolarHBondContact OH-NZ 3.34Å; Y465-W498 AromaticContact CD1-CZ3 3.91Å; Y465-W498 HydrophobicContact CD1-CZ3 3.91Å; Y465-W498 HydrophobicContact CE1-CH2 4.43Å; Y465-W498 HydrophobicContact CE1-CZ3 4.05Å; Y465-I514 HydrophobicContact CD1-CG2 4.25Å; Y465-I514 HydrophobicContact CG-CG2 4.31Å; Y465-D515 CarbonylContact C-O 3.53Å; Y465-D515 VanDerWaalsContact CA-O 3.25Å; Y465-D515 WeakPolarHBondContact CA-O 3.26Å; Y465-K516 HydrophobicContact CD1-CB 3.68Å; Y465-K516 HydrophobicContact CD1-CG 3.86Å; Y465-K516 HydrophobicContact CE1-CB 3.58Å; Y465-K516 HydrophobicContact CE1-CD 3.61Å; Y465-K516 HydrophobicContact CE1-CG 3.37Å; Y465-K516 WeakPolarHBondContact OH-CE 3.29Å |
| 466 | Y | 91.1 | Very high | 69.9 | Low | 70 Ų | 70 | 84 Ų | 84 | 28% | 0.275 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 139.9 | 178.8 | -74.5 | -92.3 | 0 | 0 | 0 | 109.4 | E464 Q485 K486 D515 R517 | E464-Y466 HydrophobicContact CB-CD2 4.47Å; E464-Y466 HydrophobicContact CB-CE2 3.84Å; Y466-Q485 CarbonylContact C-O 3.5Å; Y466-Q485 VanDerWaalsContact CA-O 3.31Å; Y466-Q485 WeakPolarHBondContact CA-O 3.18Å; Y466-K486 HydrophobicContact CD1-CB 4.22Å; Y466-K486 HydrophobicContact CE1-CB 3.85Å; Y466-K486 HydrophobicContact CE1-CG 4.32Å; Y466-D515 PolarHBondContact N-O 2.91Å; Y466-D515 PolarHBondContact O-N 2.85Å; Y466-R517 HydrophobicContact CD2-CB 4.22Å; Y466-R517 HydrophobicContact CD2-CG 4.18Å |
| 467 | T | 89.9 | Confident | 71.8 | Confident | 3 Ų | 3 | 82.9 Ų | 82.9 | 2% | 0.018 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 141.6 | 169.8 | 63.8 | 0 | 0 | 0 | 0 | 109 | F481 R482 G483 G484 Q485 A487 I502 Y513 | T467-F481 HydrophobicContact CG2-CB 4.25Å; T467-F481 HydrophobicContact CG2-CD2 3.27Å; T467-F481 HydrophobicContact CG2-CE2 3.57Å; T467-F481 HydrophobicContact CG2-CG 3.8Å; T467-F481 HydrophobicContact CG2-CZ 4.33Å; T467-R482 WeakPolarHBondContact CB-O 3.35Å; T467-R482 PolarHBondContact OG1-O 3.15Å; T467-G483 WeakPolarHBondContact OG1-CA 3.45Å; T467-G484 WeakPolarHBondContact O-CA 3.34Å; T467-G484 PolarHBondContact O-N 3.37Å; T467-G484 PolarHBondContact OG1-N 2.95Å; T467-G484 VanDerWaalsContact OG1-N 3.1Å; T467-Q485 HydrophobicContact CG2-CB 4.36Å; T467-Q485 PolarHBondContact N-O 3.27Å; T467-Q485 PolarHBondContact OG1-N 2.86Å; T467-Q485 PolarHBondContact OG1-O 2.9Å; T467-A487 HydrophobicContact CG2-CB 4.47Å; T467-I502 HydrophobicContact CG2-CD1 3.73Å; T467-Y513 CarbonylContact C-O 3.56Å; T467-Y513 VanDerWaalsContact CA-O 3.25Å; T467-Y513 WeakPolarHBondContact CA-O 3.13Å |
| 468 | I | 89.9 | Confident | 73.9 | Confident | 94 Ų | 94 | 74.9 Ų | 74.9 | 48% | 0.482 | 44% | 0.441 | S | S | . | . | trans | -107.8 | -16 | -178.8 | 63.2 | 174 | 0 | 0 | 0 | 114.7 | Y513 D515 | I468-Y513 PolarHBondContact N-O 3.39Å; I468-D515 HydrophobicContact CG2-CB 3.36Å | ||
| 469 | A | 88.3 | Confident | 76.5 | Confident | 40 Ų | 40 | 69.9 Ų | 69.9 | 33% | 0.331 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -149.5 | 164.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110 | G483 Y513 | A469-G483 PolarHBondContact O-N 2.75Å; A469-Y513 HydrophobicContact CB-CD1 3.92Å; A469-Y513 HydrophobicContact CB-CE1 3.95Å |
| 470 | D | 89.1 | Confident | 79 | Confident | 100 Ų | 100 | 65.7 Ų | 65.7 | 54% | 0.535 | 38% | 0.382 | S | S | . | . | trans | -67.3 | 133.5 | 172.2 | -71.6 | 9.3 | 0 | 0 | 0 | 110 | F481 R482 G483 | D470-F481 WeakPolarHBondContact CA-O 3.29Å; D470-R482 WeakPolarHBondContact OD1-CA 3.41Å; D470-R482 VanDerWaalsContact OD1-CD 3.31Å; D470-R482 WeakPolarHBondContact OD1-CD 3.48Å; D470-R482 WeakPolarHBondContact OD2-CD 3.32Å; D470-R482 IonicContact OD2-NE 2.64Å; D470-G483 PolarHBondContact OD1-N 2.8Å | ||
| 471 | F | 86.3 | Confident | 81 | Confident | 32 Ų | 32 | 61.8 Ų | 61.8 | 14% | 0.14 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -135 | 127.1 | 177.1 | 176.9 | -101.5 | 0 | 0 | 0 | 109.5 | I479 S480 F481 W497 P510 Y513 | F471-I479 VanDerWaalsContact CD1-O 3.32Å; F471-I479 WeakPolarHBondContact CD1-O 3.32Å; F471-I479 WeakPolarHBondContact CE1-O 3.34Å; F471-S480 CarbonylContact O-C 3.56Å; F471-S480 WeakPolarHBondContact O-CA 3.27Å; F471-F481 HydrophobicContact CB-CD1 4.26Å; F471-F481 HydrophobicContact CB-CD2 3.93Å; F471-F481 HydrophobicContact CB-CE1 3.82Å; F471-F481 HydrophobicContact CB-CE2 3.47Å; F471-F481 VanDerWaalsContact CB-CE2 3.47Å; F471-F481 HydrophobicContact CB-CG 4.33Å; F471-F481 HydrophobicContact CB-CZ 3.42Å; F471-F481 VanDerWaalsContact CB-CZ 3.42Å; F471-F481 HydrophobicContact CD1-CD1 4.05Å; F471-F481 AromaticContact CD1-CE1 3.44Å; F471-F481 HydrophobicContact CD1-CE1 3.44Å; F471-F481 VanDerWaalsContact CD1-CE1 3.44Å; F471-F481 AromaticContact CD1-CZ 3.81Å; F471-F481 HydrophobicContact CD1-CZ 3.81Å; F471-F481 HydrophobicContact CE1-CE1 4.36Å; F471-F481 AromaticContact CG-CE1 3.95Å; F471-F481 HydrophobicContact CG-CE1 3.95Å; F471-F481 HydrophobicContact CG-CE2 4.38Å; F471-F481 AromaticContact CG-CZ 3.82Å; F471-F481 HydrophobicContact CG-CZ 3.82Å; F471-F481 PolarHBondContact N-O 2.69Å; F471-F481 PolarHBondContact O-N 2.84Å; F471-F481 VanDerWaalsContact O-O 3.12Å; F471-W497 HydrophobicContact CE1-CZ3 4.49Å; F471-W497 AromaticContact CZ-CH2 3.98Å; F471-W497 HydrophobicContact CZ-CH2 3.98Å; F471-W497 HydrophobicContact CZ-CZ3 4.03Å; F471-P510 HydrophobicContact CD2-CG 4.12Å; F471-P510 HydrophobicContact CE1-CG 4.32Å; F471-P510 HydrophobicContact CE2-CG 3.55Å; F471-P510 HydrophobicContact CZ-CG 3.66Å; F471-Y513 HydrophobicContact CB-CD1 3.91Å; F471-Y513 HydrophobicContact CB-CE1 4.18Å; F471-Y513 HydrophobicContact CB-CG 4.45Å; F471-Y513 HydrophobicContact CD2-CD1 4.46Å; F471-Y513 HydrophobicContact CD2-CE1 4.31Å; F471-Y513 HydrophobicContact CD2-CE2 4.36Å |
| 472 | Q | 85.1 | Confident | 82.9 | Confident | 145 Ų | 145 | 64.9 Ų | 64.9 | 68% | 0.678 | 35% | 0.35 | S | S | * | . | trans | -108.5 | 117.9 | 172.7 | -174.9 | 65.7 | 43 | 0 | 0 | 108 | S480 | Q472-S480 PolarHBondContact NE2-OG 2.73Š| ||
| 473 | S | 81.8 | Confident | 84.4 | Confident | 15 Ų | 15 | 60.3 Ų | 60.3 | 11% | 0.105 | 34% | 0.337 | C | S | . | . | trans | -69.7 | 139.2 | 171.7 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | I475 G478 S480 | S473-I475 PolarHBondContact OG-N 3.19Å; S473-I475 PolarHBondContact OG-O 3.26Å; S473-G478 WeakPolarHBondContact CB-O 3.2Å; S473-G478 VanDerWaalsContact OG-C 3.26Å; S473-G478 VanDerWaalsContact OG-CA 3.23Å; S473-G478 WeakPolarHBondContact OG-CA 3.47Å; S473-G478 PolarHBondContact OG-O 3.08Å; S473-S480 WeakPolarHBondContact CB-OG 3.34Å; S473-S480 PolarHBondContact N-OG 3.14Å | ||
| 474 | S | 72.6 | Confident | 85.1 | Confident | 123 Ų | 123 | 61.9 Ų | 61.9 | 86% | 0.86 | 36% | 0.356 | S | S | * | . | trans | -108 | 7.8 | 165 | 64 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 475 | I | 77.2 | Confident | 85.2 | Confident | 81 Ų | 81 | 63.5 Ų | 63.5 | 42% | 0.415 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -104.9 | 137.8 | 179.1 | -52.3 | 174.3 | 0 | 0 | 0 | 107.4 | S473 D477 G478 W497 | S473-I475 PolarHBondContact OG-N 3.19Å; S473-I475 PolarHBondContact OG-O 3.26Å; I475-D477 PolarHBondContact O-N 2.9Å; I475-G478 PolarHBondContact O-N 2.8Å; I475-G478 VanDerWaalsContact O-N 3.1Å; I475-W497 HydrophobicContact CD1-CH2 3.77Å; I475-W497 HydrophobicContact CD1-CZ2 4.25Å; I475-W497 HydrophobicContact CD1-CZ3 4.13Å |
| 476 | S | 67 | Low | 85.2 | Confident | 117 Ų | 117 | 65.6 Ų | 65.6 | 82% | 0.818 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -39.3 | 178.4 | 46.4 | 0 | 0 | 0 | 0 | 113.3 | ||
| 477 | D | 81.4 | Confident | 85.2 | Confident | 104 Ų | 104 | 62.3 Ų | 62.3 | 56% | 0.556 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 4.5 | -172.8 | -57.3 | 33.8 | 0 | 0 | 0 | 111.6 | I475 G507 W508 | I475-D477 PolarHBondContact O-N 2.9Å; D477-G507 WeakPolarHBondContact O-CA 3.42Å; D477-W508 PolarHBondContact O-N 2.93Å |
| 478 | G | 84.8 | Confident | 85.2 | Confident | 13 Ų | 13 | 65.8 Ų | 65.8 | 13% | 0.134 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -97.2 | 137.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S473 I475 W508 | S473-G478 WeakPolarHBondContact CB-O 3.2Å; S473-G478 VanDerWaalsContact OG-C 3.26Å; S473-G478 VanDerWaalsContact OG-CA 3.23Å; S473-G478 WeakPolarHBondContact OG-CA 3.47Å; S473-G478 PolarHBondContact OG-O 3.08Å; I475-G478 PolarHBondContact O-N 2.8Å; I475-G478 VanDerWaalsContact O-N 3.1Å; G478-W508 CarbonylContact C-O 3.44Å; G478-W508 VanDerWaalsContact CA-O 3.23Å; G478-W508 WeakPolarHBondContact CA-O 3.34Å |
| 479 | I | 88.8 | Confident | 85.1 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.015 | 36% | 0.363 | C | S | . | . | trans | -85.5 | 141 | -177.4 | -173.2 | 167.9 | 0 | 0 | 0 | 111.8 | F471 F481 V500 I502 M505 G507 W508 A509 | F471-I479 VanDerWaalsContact CD1-O 3.32Å; F471-I479 WeakPolarHBondContact CD1-O 3.32Å; F471-I479 WeakPolarHBondContact CE1-O 3.34Å; I479-F481 HydrophobicContact CG2-CD1 4.13Å; I479-F481 HydrophobicContact CG2-CE1 4.3Å; I479-V500 HydrophobicContact CG2-CG2 3.79Å; I479-I502 HydrophobicContact CD1-CB 3.73Å; I479-I502 HydrophobicContact CD1-CD1 4.07Å; I479-I502 HydrophobicContact CD1-CG1 3.98Å; I479-I502 HydrophobicContact CG2-CD1 4.39Å; I479-M505 HydrophobicContact CD1-CB 3.78Å; I479-M505 WeakPolarHBondContact CD1-O 3.46Å; I479-M505 HydrophobicContact CG1-CB 4.23Å; I479-G507 WeakPolarHBondContact CG2-O 3.46Å; I479-W508 PolarHBondContact N-O 3.29Å; I479-A509 HydrophobicContact CG2-CB 3.85Å | ||
| 480 | S | 88.6 | Confident | 85.1 | Confident | 37 Ų | 37 | 65.6 Ų | 65.6 | 26% | 0.259 | 37% | 0.373 | S | S | . | . | trans | -107.7 | 134.6 | 175.6 | -55.3 | 0 | 0 | 0 | 0 | 110.3 | F471 Q472 S473 | F471-S480 CarbonylContact O-C 3.56Å; F471-S480 WeakPolarHBondContact O-CA 3.27Å; Q472-S480 PolarHBondContact NE2-OG 2.73Å; S473-S480 WeakPolarHBondContact CB-OG 3.34Å; S473-S480 PolarHBondContact N-OG 3.14Å | ||
| 481 | F | 89.7 | Confident | 84.9 | Confident | 9 Ų | 9 | 65.6 Ų | 65.6 | 4% | 0.039 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -149.8 | 162.1 | -170.2 | 52.9 | -96.6 | 0 | 0 | 0 | 113.1 | T467 D470 F471 I479 Q485 I502 A509 Y513 | T467-F481 HydrophobicContact CG2-CB 4.25Å; T467-F481 HydrophobicContact CG2-CD2 3.27Å; T467-F481 HydrophobicContact CG2-CE2 3.57Å; T467-F481 HydrophobicContact CG2-CG 3.8Å; T467-F481 HydrophobicContact CG2-CZ 4.33Å; D470-F481 WeakPolarHBondContact CA-O 3.29Å; F471-F481 HydrophobicContact CB-CD1 4.26Å; F471-F481 HydrophobicContact CB-CD2 3.93Å; F471-F481 HydrophobicContact CB-CE1 3.82Å; F471-F481 HydrophobicContact CB-CE2 3.47Å; F471-F481 VanDerWaalsContact CB-CE2 3.47Å; F471-F481 HydrophobicContact CB-CG 4.33Å; F471-F481 HydrophobicContact CB-CZ 3.42Å; F471-F481 VanDerWaalsContact CB-CZ 3.42Å; F471-F481 HydrophobicContact CD1-CD1 4.05Å; F471-F481 AromaticContact CD1-CE1 3.44Å; F471-F481 HydrophobicContact CD1-CE1 3.44Å; F471-F481 VanDerWaalsContact CD1-CE1 3.44Å; F471-F481 AromaticContact CD1-CZ 3.81Å; F471-F481 HydrophobicContact CD1-CZ 3.81Å; F471-F481 HydrophobicContact CE1-CE1 4.36Å; F471-F481 AromaticContact CG-CE1 3.95Å; F471-F481 HydrophobicContact CG-CE1 3.95Å; F471-F481 HydrophobicContact CG-CE2 4.38Å; F471-F481 AromaticContact CG-CZ 3.82Å; F471-F481 HydrophobicContact CG-CZ 3.82Å; F471-F481 PolarHBondContact N-O 2.69Å; F471-F481 PolarHBondContact O-N 2.84Å; F471-F481 VanDerWaalsContact O-O 3.12Å; I479-F481 HydrophobicContact CG2-CD1 4.13Å; I479-F481 HydrophobicContact CG2-CE1 4.3Å; F481-Q485 VanDerWaalsContact CB-OE1 3.31Å; F481-I502 HydrophobicContact CB-CD1 3.66Å; F481-I502 HydrophobicContact CB-CG2 4.29Å; F481-I502 HydrophobicContact CD1-CD1 3.45Å; F481-I502 VanDerWaalsContact CD1-CD1 3.45Å; F481-I502 HydrophobicContact CD2-CD1 4.41Å; F481-I502 HydrophobicContact CE1-CD1 4.13Å; F481-I502 HydrophobicContact CG-CD1 3.6Å; F481-A509 HydrophobicContact CE1-CB 3.59Å; F481-A509 HydrophobicContact CZ-CB 4.14Å; F481-Y513 HydrophobicContact CE2-CD1 4.44Å; F481-Y513 HydrophobicContact CZ-CG 4.49Å |
| 482 | R | 86.9 | Confident | 85 | Confident | 156 Ų | 156 | 68.2 Ų | 68.2 | 59% | 0.589 | 38% | 0.381 | S | S | * | . | trans | -95 | 156.3 | 169.9 | -68.1 | -71.2 | -159.7 | -83.6 | -6.1 | 110.3 | T467 D470 Q485 | T467-R482 WeakPolarHBondContact CB-O 3.35Å; T467-R482 PolarHBondContact OG1-O 3.15Å; D470-R482 WeakPolarHBondContact OD1-CA 3.41Å; D470-R482 VanDerWaalsContact OD1-CD 3.31Å; D470-R482 WeakPolarHBondContact OD1-CD 3.48Å; D470-R482 WeakPolarHBondContact OD2-CD 3.32Å; D470-R482 IonicContact OD2-NE 2.64Å; R482-Q485 HydrophobicContact CB-CG 4.23Å; R482-Q485 WeakPolarHBondContact O-CG 3.23Å; R482-Q485 PolarHBondContact O-OE1 2.97Å | ||
| 483 | G | 87.6 | Confident | 84.6 | Confident | 32 Ų | 32 | 64 Ų | 64 | 33% | 0.33 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 143.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T467 A469 D470 | T467-G483 WeakPolarHBondContact OG1-CA 3.45Å; A469-G483 PolarHBondContact O-N 2.75Å; D470-G483 PolarHBondContact OD1-N 2.8Å |
| 484 | G | 85.2 | Confident | 84.2 | Confident | 57 Ų | 57 | 70.2 Ų | 70.2 | 59% | 0.588 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | 0.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | T467 | T467-G484 WeakPolarHBondContact O-CA 3.34Å; T467-G484 PolarHBondContact O-N 3.37Å; T467-G484 PolarHBondContact OG1-N 2.95Å; T467-G484 VanDerWaalsContact OG1-N 3.1Å |
| 485 | Q | 88 | Confident | 84.2 | Confident | 75 Ų | 75 | 67.5 Ų | 67.5 | 35% | 0.35 | 39% | 0.394 | S | S | . | . | trans | -77.3 | 146.2 | 174.4 | -65.1 | -179.2 | -39.9 | 0 | 0 | 110.5 | Y466 T467 F481 R482 I502 | Y466-Q485 CarbonylContact C-O 3.5Å; Y466-Q485 VanDerWaalsContact CA-O 3.31Å; Y466-Q485 WeakPolarHBondContact CA-O 3.18Å; T467-Q485 HydrophobicContact CG2-CB 4.36Å; T467-Q485 PolarHBondContact N-O 3.27Å; T467-Q485 PolarHBondContact OG1-N 2.86Å; T467-Q485 PolarHBondContact OG1-O 2.9Å; F481-Q485 VanDerWaalsContact CB-OE1 3.31Å; R482-Q485 HydrophobicContact CB-CG 4.23Å; R482-Q485 WeakPolarHBondContact O-CG 3.23Å; R482-Q485 PolarHBondContact O-OE1 2.97Å; Q485-I502 HydrophobicContact CB-CG2 3.83Å | ||
| 486 | K | 90.9 | Very high | 84.4 | Confident | 72 Ų | 72 | 64.9 Ų | 64.9 | 31% | 0.313 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 132.8 | 171.9 | -175.1 | -175.8 | 168.8 | -169 | 0 | 108.9 | E464 Y466 D488 | E464-K486 WeakPolarHBondContact OE1-CE 3.4Å; E464-K486 IonicContact OE1-NZ 2.79Å; E464-K486 PolarHBondContact OE1-NZ 2.95Å; Y466-K486 HydrophobicContact CD1-CB 4.22Å; Y466-K486 HydrophobicContact CE1-CB 3.85Å; Y466-K486 HydrophobicContact CE1-CG 4.32Å; K486-D488 VanDerWaalsContact CE-CG 3.4Å; K486-D488 WeakPolarHBondContact CE-OD1 3.26Å; K486-D488 WeakPolarHBondContact CE-OD2 3.44Å; K486-D488 IonicContact NZ-OD1 4Å; K486-D488 PolarHBondContact NZ-OD1 3.48Å; K486-D488 IonicContact NZ-OD2 3.15Å; K486-D488 PolarHBondContact NZ-OD2 3.06Å; K486-D488 VanDerWaalsContact NZ-OD2 3.07Å |
| 487 | A | 91 | Very high | 85.4 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 125.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y465 T467 V500 Q501 I502 I514 | Y465-A487 WeakPolarHBondContact CB-O 3.38Å; Y465-A487 PolarHBondContact O-N 2.89Å; Y465-A487 VanDerWaalsContact O-O 3.08Å; T467-A487 HydrophobicContact CG2-CB 4.47Å; A487-V500 HydrophobicContact CB-CB 4.43Å; A487-Q501 WeakPolarHBondContact CA-O 3.45Å; A487-I502 HydrophobicContact CB-CD1 4.24Å; A487-I502 HydrophobicContact CB-CG1 3.83Å; A487-I514 HydrophobicContact CB-CG2 4.45Å |
| 488 | D | 88.5 | Confident | 85.9 | Confident | 77 Ų | 77 | 60.7 Ų | 60.7 | 41% | 0.412 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 115.3 | 168 | -75.3 | -55.4 | 0 | 0 | 0 | 107.6 | K486 I490 Q501 | K486-D488 VanDerWaalsContact CE-CG 3.4Å; K486-D488 WeakPolarHBondContact CE-OD1 3.26Å; K486-D488 WeakPolarHBondContact CE-OD2 3.44Å; K486-D488 IonicContact NZ-OD1 4Å; K486-D488 PolarHBondContact NZ-OD1 3.48Å; K486-D488 IonicContact NZ-OD2 3.15Å; K486-D488 PolarHBondContact NZ-OD2 3.06Å; K486-D488 VanDerWaalsContact NZ-OD2 3.07Å; D488-I490 PolarHBondContact O-N 3.05Å; D488-Q501 PolarHBondContact N-O 2.81Å; D488-Q501 PolarHBondContact O-N 2.96Å |
| 489 | V | 88.5 | Confident | 86.2 | Confident | 27 Ų | 27 | 62.6 Ų | 62.6 | 16% | 0.164 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 109.5 | -169.7 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | Y465 E491 K492 W498 V500 I514 | Y465-V489 HydrophobicContact CD1-CG2 3.91Å; Y465-V489 HydrophobicContact CD2-CB 4.05Å; Y465-V489 HydrophobicContact CD2-CG2 3.51Å; Y465-V489 HydrophobicContact CE1-CG2 4.39Å; Y465-V489 HydrophobicContact CE2-CB 4.17Å; Y465-V489 HydrophobicContact CE2-CG2 4.07Å; Y465-V489 HydrophobicContact CG-CB 4.42Å; Y465-V489 HydrophobicContact CG-CG2 3.45Å; Y465-V489 VanDerWaalsContact CG-CG2 3.45Å; V489-E491 WeakPolarHBondContact CG1-O 3.31Å; V489-K492 HydrophobicContact CG1-CD 4.18Å; V489-K492 HydrophobicContact CG1-CG 3.65Å; V489-W498 HydrophobicContact CG1-CB 3.98Å; V489-W498 HydrophobicContact CG1-CD2 4.17Å; V489-W498 HydrophobicContact CG1-CE3 3.92Å; V489-W498 HydrophobicContact CG1-CG 4.24Å; V489-W498 HydrophobicContact CG2-CE3 3.94Å; V489-W498 HydrophobicContact CG2-CZ3 4.39Å; V489-V500 HydrophobicContact CB-CG1 4.15Å; V489-V500 HydrophobicContact CG1-CG1 3.94Å; V489-V500 HydrophobicContact CG2-CG1 3.78Å; V489-I514 HydrophobicContact CG2-CG2 4.22Å |
| 490 | I | 87.4 | Confident | 86.3 | Confident | 103 Ų | 103 | 62.5 Ų | 62.5 | 53% | 0.528 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -52.6 | -176.8 | -60.7 | 169.4 | 0 | 0 | 0 | 109.7 | D488 Y499 Q501 | D488-I490 PolarHBondContact O-N 3.05Å; I490-Y499 HydrophobicContact CB-CD1 4.23Å; I490-Y499 HydrophobicContact CD1-CD1 4.1Å; I490-Y499 HydrophobicContact CD1-CE1 4.28Å; I490-Y499 HydrophobicContact CG2-CD1 4.47Å; I490-Y499 PolarHBondContact N-O 3.08Å; I490-Q501 HydrophobicContact CD1-CB 4.07Å |
| 491 | E | 85.1 | Confident | 86.5 | Confident | 100 Ų | 100 | 64.7 Ų | 64.7 | 47% | 0.467 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 153.8 | -176.8 | -162.6 | 171.5 | -173 | 0 | 0 | 112.4 | V489 W498 Y499 | V489-E491 WeakPolarHBondContact CG1-O 3.31Å; E491-W498 CarbonylContact O-C 3.53Å; E491-W498 VanDerWaalsContact O-CA 3.29Å; E491-W498 WeakPolarHBondContact O-CA 3.43Å; E491-W498 WeakPolarHBondContact O-CB 3.33Å; E491-Y499 PolarHBondContact N-O 3.45Å; E491-Y499 VanDerWaalsContact N-O 3.12Å; E491-Y499 PolarHBondContact O-N 3.08Å |
| 492 | K | 88.1 | Confident | 86.5 | Confident | 87 Ų | 87 | 65 Ų | 65 | 38% | 0.378 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 96.5 | -174.8 | -63.3 | -167.1 | 177.6 | -156.9 | 0 | 112.8 | Y465 V489 W498 | Y465-K492 PolarHBondContact OH-NZ 3.34Å; V489-K492 HydrophobicContact CG1-CD 4.18Å; V489-K492 HydrophobicContact CG1-CG 3.65Å; K492-W498 VanDerWaalsContact CA-CD1 3.49Å; K492-W498 HydrophobicContact CB-CG 4.25Å; K492-W498 HydrophobicContact CD-CD2 4.13Å; K492-W498 HydrophobicContact CD-CZ2 4.07Å; K492-W498 HydrophobicContact CG-CD2 3.96Å; K492-W498 HydrophobicContact CG-CG 3.91Å |
| 493 | N | 78.6 | Confident | 86.5 | Confident | 57 Ų | 57 | 60.5 Ų | 60.5 | 31% | 0.305 | 36% | 0.358 | S | S | . | . | trans | -80 | 142.4 | 179.4 | -56.9 | 9.5 | 0 | 0 | 0 | 109.4 | G495 G496 W497 W508 | N493-G495 PolarHBondContact O-N 3.24Å; N493-G496 PolarHBondContact O-N 2.91Å; N493-W497 VanDerWaalsContact CB-O 3.3Å; N493-W497 WeakPolarHBondContact CB-O 3.37Å; N493-W497 PolarHBondContact N-O 2.99Å; N493-W508 WeakPolarHBondContact ND2-CH2 3.19Å; N493-W508 VanDerWaalsContact ND2-CZ3 3.33Å; N493-W508 WeakPolarHBondContact ND2-CZ3 3.43Å; N493-W508 WeakPolarHBondContact OD1-CH2 3.2Å; N493-W508 WeakPolarHBondContact OD1-CZ3 3.24Å | ||
| 494 | P | 71.8 | Confident | 86.4 | Confident | 144 Ų | 144 | 68.3 Ų | 68.3 | 94% | 0.935 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -21.1 | 176.8 | 26.3 | -34.1 | 0 | 0 | 0 | 112.6 | G496 | P494-G496 PolarHBondContact O-N 3.3Å; P494-G496 VanDerWaalsContact O-N 3.08Å |
| 495 | G | 73.6 | Confident | 86.3 | Confident | 66 Ų | 66 | 71.3 Ų | 71.3 | 68% | 0.68 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 13.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | N493 W497 | N493-G495 PolarHBondContact O-N 3.24Å; G495-W497 VanDerWaalsContact C-N 3.35Å; G495-W497 PolarHBondContact O-N 2.83Å |
| 496 | G | 81.1 | Confident | 86.5 | Confident | 26 Ų | 26 | 73.1 Ų | 73.1 | 27% | 0.268 | 40% | 0.395 | S | S | . | . | S | Bend | trans | 81.2 | 6.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | N493 P494 C511 | N493-G496 PolarHBondContact O-N 2.91Å; P494-G496 PolarHBondContact O-N 3.3Å; P494-G496 VanDerWaalsContact O-N 3.08Å; G496-C511 PolarHBondContact O-N 2.68Å; G496-C511 PolarHBondContact O-SG 2.96Å |
| 497 | W | 87.4 | Confident | 86.4 | Confident | 90 Ų | 90 | 69.8 Ų | 69.8 | 34% | 0.341 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 134.3 | 170.1 | -68.4 | 81.1 | 0 | 0 | 0 | 109.8 | F471 I475 N493 G495 W508 A509 P510 | F471-W497 HydrophobicContact CE1-CZ3 4.49Å; F471-W497 AromaticContact CZ-CH2 3.98Å; F471-W497 HydrophobicContact CZ-CH2 3.98Å; F471-W497 HydrophobicContact CZ-CZ3 4.03Å; I475-W497 HydrophobicContact CD1-CH2 3.77Å; I475-W497 HydrophobicContact CD1-CZ2 4.25Å; I475-W497 HydrophobicContact CD1-CZ3 4.13Å; N493-W497 VanDerWaalsContact CB-O 3.3Å; N493-W497 WeakPolarHBondContact CB-O 3.37Å; N493-W497 PolarHBondContact N-O 2.99Å; G495-W497 VanDerWaalsContact C-N 3.35Å; G495-W497 PolarHBondContact O-N 2.83Å; W497-W508 HydrophobicContact CB-CE3 4.11Å; W497-W508 HydrophobicContact CE3-CB 4.05Å; W497-A509 CarbonylContact C-O 2.98Å; W497-A509 WeakPolarHBondContact CA-O 3.17Å; W497-P510 HydrophobicContact CD2-CG 4.47Å; W497-P510 HydrophobicContact CE3-CG 4.08Å; W497-P510 HydrophobicContact CH2-CG 3.82Å; W497-P510 HydrophobicContact CZ2-CG 4.19Å; W497-P510 HydrophobicContact CZ3-CG 3.75Å |
| 498 | W | 92.3 | Very high | 86.4 | Confident | 43 Ų | 43 | 72.6 Ų | 72.6 | 16% | 0.163 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 141 | 177.9 | -66.9 | -5.5 | 0 | 0 | 0 | 108.7 | Y465 V489 E491 K492 V500 A509 C511 I514 | Y465-W498 AromaticContact CD1-CZ3 3.91Å; Y465-W498 HydrophobicContact CD1-CZ3 3.91Å; Y465-W498 HydrophobicContact CE1-CH2 4.43Å; Y465-W498 HydrophobicContact CE1-CZ3 4.05Å; V489-W498 HydrophobicContact CG1-CB 3.98Å; V489-W498 HydrophobicContact CG1-CD2 4.17Å; V489-W498 HydrophobicContact CG1-CE3 3.92Å; V489-W498 HydrophobicContact CG1-CG 4.24Å; V489-W498 HydrophobicContact CG2-CE3 3.94Å; V489-W498 HydrophobicContact CG2-CZ3 4.39Å; E491-W498 CarbonylContact O-C 3.53Å; E491-W498 VanDerWaalsContact O-CA 3.29Å; E491-W498 WeakPolarHBondContact O-CA 3.43Å; E491-W498 WeakPolarHBondContact O-CB 3.33Å; K492-W498 VanDerWaalsContact CA-CD1 3.49Å; K492-W498 HydrophobicContact CB-CG 4.25Å; K492-W498 HydrophobicContact CD-CD2 4.13Å; K492-W498 HydrophobicContact CD-CZ2 4.07Å; K492-W498 HydrophobicContact CG-CD2 3.96Å; K492-W498 HydrophobicContact CG-CG 3.91Å; W498-V500 HydrophobicContact CB-CG1 3.84Å; W498-A509 PolarHBondContact N-O 2.95Å; W498-A509 PolarHBondContact O-N 3.41Å; W498-C511 HydrophobicContact CD2-CB 3.52Å; W498-C511 HydrophobicContact CE3-CB 4.03Å; W498-C511 HydrophobicContact CG-CB 3.86Å; W498-C511 HydrophobicContact CH2-CB 4.2Å; W498-C511 HydrophobicContact CZ2-CB 3.74Å; W498-C511 HydrophobicContact CZ3-CB 4.34Å; W498-I514 HydrophobicContact CE3-CB 4.24Å; W498-I514 HydrophobicContact CE3-CG2 4Å; W498-I514 HydrophobicContact CZ3-CB 4.22Å; W498-I514 HydrophobicContact CZ3-CG2 3.88Å |
| 499 | Y | 90.6 | Very high | 86.5 | Confident | 54 Ų | 54 | 68.9 Ų | 68.9 | 21% | 0.212 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 119.3 | 170.9 | -162.6 | -99 | 0 | 0 | 0 | 108 | I490 E491 E506 G507 W508 | I490-Y499 HydrophobicContact CB-CD1 4.23Å; I490-Y499 HydrophobicContact CD1-CD1 4.1Å; I490-Y499 HydrophobicContact CD1-CE1 4.28Å; I490-Y499 HydrophobicContact CG2-CD1 4.47Å; I490-Y499 PolarHBondContact N-O 3.08Å; E491-Y499 PolarHBondContact N-O 3.45Å; E491-Y499 VanDerWaalsContact N-O 3.12Å; E491-Y499 PolarHBondContact O-N 3.08Å; Y499-E506 HydrophobicContact CE1-CB 3.94Å; Y499-E506 HydrophobicContact CE1-CG 4.25Å; Y499-E506 WeakPolarHBondContact OH-CG 3.48Å; Y499-G507 VanDerWaalsContact CE2-CA 3.45Å; Y499-W508 AromaticContact CD2-CD2 3.85Å; Y499-W508 HydrophobicContact CD2-CD2 3.85Å; Y499-W508 AromaticContact CD2-CE2 3.64Å; Y499-W508 HydrophobicContact CD2-CE3 4.37Å; Y499-W508 HydrophobicContact CD2-CG 4.11Å; Y499-W508 HydrophobicContact CD2-CH2 4.46Å; Y499-W508 AromaticContact CD2-CZ2 3.97Å; Y499-W508 HydrophobicContact CD2-CZ2 3.97Å; Y499-W508 AromaticContact CD2-NE1 3.8Å; Y499-W508 HydrophobicContact CG-CZ2 4.5Å |
| 500 | V | 92.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 142.5 | -169.4 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | I479 A487 V489 W498 I502 E506 G507 A509 I514 | I479-V500 HydrophobicContact CG2-CG2 3.79Å; A487-V500 HydrophobicContact CB-CB 4.43Å; V489-V500 HydrophobicContact CB-CG1 4.15Å; V489-V500 HydrophobicContact CG1-CG1 3.94Å; V489-V500 HydrophobicContact CG2-CG1 3.78Å; W498-V500 HydrophobicContact CB-CG1 3.84Å; V500-I502 HydrophobicContact CG2-CD1 3.85Å; V500-I502 HydrophobicContact CG2-CG1 4.05Å; V500-E506 WeakPolarHBondContact O-CA 3.45Å; V500-G507 PolarHBondContact N-O 3.46Å; V500-G507 PolarHBondContact O-N 3.33Å; V500-G507 VanDerWaalsContact O-N 3.13Å; V500-A509 HydrophobicContact CG2-CB 3.53Å; V500-I514 HydrophobicContact CB-CD1 4.31Å; V500-I514 HydrophobicContact CG1-CD1 3.64Å; V500-I514 HydrophobicContact CG2-CD1 3.94Å |
| 501 | Q | 91.9 | Very high | 86.6 | Confident | 83 Ų | 83 | 65.2 Ų | 65.2 | 39% | 0.388 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 127.9 | 171.5 | -171.8 | 174.8 | 7.4 | 0 | 0 | 109.3 | A487 D488 I490 G503 M505 E506 | A487-Q501 WeakPolarHBondContact CA-O 3.45Å; D488-Q501 PolarHBondContact N-O 2.81Å; D488-Q501 PolarHBondContact O-N 2.96Å; I490-Q501 HydrophobicContact CD1-CB 4.07Å; Q501-G503 WeakPolarHBondContact CG-O 3.38Å; Q501-G503 PolarHBondContact NE2-O 2.96Å; Q501-M505 CarbonylContact C-O 3.57Å; Q501-M505 WeakPolarHBondContact CA-O 3.39Å; Q501-E506 HydrophobicContact CB-CB 4.4Å; Q501-E506 HydrophobicContact CG-CB 4.46Å |
| 502 | I | 89.7 | Confident | 86.7 | Confident | 17 Ų | 17 | 64.5 Ų | 64.5 | 9% | 0.087 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 89.2 | -179.5 | -57.6 | 171.6 | 0 | 0 | 0 | 107.1 | T467 I479 F481 Q485 A487 V500 M505 | T467-I502 HydrophobicContact CG2-CD1 3.73Å; I479-I502 HydrophobicContact CD1-CB 3.73Å; I479-I502 HydrophobicContact CD1-CD1 4.07Å; I479-I502 HydrophobicContact CD1-CG1 3.98Å; I479-I502 HydrophobicContact CG2-CD1 4.39Å; F481-I502 HydrophobicContact CB-CD1 3.66Å; F481-I502 HydrophobicContact CB-CG2 4.29Å; F481-I502 HydrophobicContact CD1-CD1 3.45Å; F481-I502 VanDerWaalsContact CD1-CD1 3.45Å; F481-I502 HydrophobicContact CD2-CD1 4.41Å; F481-I502 HydrophobicContact CE1-CD1 4.13Å; F481-I502 HydrophobicContact CG-CD1 3.6Å; Q485-I502 HydrophobicContact CB-CG2 3.83Å; A487-I502 HydrophobicContact CB-CD1 4.24Å; A487-I502 HydrophobicContact CB-CG1 3.83Å; V500-I502 HydrophobicContact CG2-CD1 3.85Å; V500-I502 HydrophobicContact CG2-CG1 4.05Å; I502-M505 PolarHBondContact N-O 2.89Å |
| 503 | G | 87.4 | Confident | 86.7 | Confident | 60 Ų | 60 | 64.3 Ų | 64.3 | 62% | 0.619 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | -129.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q501 | Q501-G503 WeakPolarHBondContact CG-O 3.38Å; Q501-G503 PolarHBondContact NE2-O 2.96Å |
| 504 | E | 84.5 | Confident | 87.2 | Confident | 197 Ų | 197 | 62 Ų | 62 | 92% | 0.921 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -8.6 | 179.5 | -64.8 | 176.9 | -177.1 | 0 | 0 | 113.2 | ||
| 505 | M | 84.3 | Confident | 88 | Confident | 120 Ų | 120 | 58.1 Ų | 58.1 | 59% | 0.591 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 141.6 | 178.4 | -62.5 | -178 | 72.9 | 0 | 0 | 110.7 | I479 Q501 I502 | I479-M505 HydrophobicContact CD1-CB 3.78Å; I479-M505 WeakPolarHBondContact CD1-O 3.46Å; I479-M505 HydrophobicContact CG1-CB 4.23Å; Q501-M505 CarbonylContact C-O 3.57Å; Q501-M505 WeakPolarHBondContact CA-O 3.39Å; I502-M505 PolarHBondContact N-O 2.89Å |
| 506 | E | 91.9 | Very high | 88.8 | Confident | 113 Ų | 113 | 60.8 Ų | 60.8 | 53% | 0.528 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 156.3 | 171.7 | 57.6 | 179.7 | 171.8 | 0 | 0 | 110.6 | Y499 V500 Q501 | Y499-E506 HydrophobicContact CE1-CB 3.94Å; Y499-E506 HydrophobicContact CE1-CG 4.25Å; Y499-E506 WeakPolarHBondContact OH-CG 3.48Å; V500-E506 WeakPolarHBondContact O-CA 3.45Å; Q501-E506 HydrophobicContact CB-CB 4.4Å; Q501-E506 HydrophobicContact CG-CB 4.46Å |
| 507 | G | 88.3 | Confident | 88.6 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161 | 179.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | D477 I479 Y499 V500 | D477-G507 WeakPolarHBondContact O-CA 3.42Å; I479-G507 WeakPolarHBondContact CG2-O 3.46Å; Y499-G507 VanDerWaalsContact CE2-CA 3.45Å; V500-G507 PolarHBondContact N-O 3.46Å; V500-G507 PolarHBondContact O-N 3.33Å; V500-G507 VanDerWaalsContact O-N 3.13Å |
| 508 | W | 91.3 | Very high | 87.7 | Confident | 59 Ų | 59 | 68.7 Ų | 68.7 | 22% | 0.223 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 129.1 | 178 | -66.8 | 102.7 | 0 | 0 | 0 | 112.6 | D477 G478 I479 N493 W497 Y499 | D477-W508 PolarHBondContact O-N 2.93Å; G478-W508 CarbonylContact C-O 3.44Å; G478-W508 VanDerWaalsContact CA-O 3.23Å; G478-W508 WeakPolarHBondContact CA-O 3.34Å; I479-W508 PolarHBondContact N-O 3.29Å; N493-W508 WeakPolarHBondContact ND2-CH2 3.19Å; N493-W508 VanDerWaalsContact ND2-CZ3 3.33Å; N493-W508 WeakPolarHBondContact ND2-CZ3 3.43Å; N493-W508 WeakPolarHBondContact OD1-CH2 3.2Å; N493-W508 WeakPolarHBondContact OD1-CZ3 3.24Å; W497-W508 HydrophobicContact CB-CE3 4.11Å; W497-W508 HydrophobicContact CE3-CB 4.05Å; Y499-W508 AromaticContact CD2-CD2 3.85Å; Y499-W508 HydrophobicContact CD2-CD2 3.85Å; Y499-W508 AromaticContact CD2-CE2 3.64Å; Y499-W508 HydrophobicContact CD2-CE3 4.37Å; Y499-W508 HydrophobicContact CD2-CG 4.11Å; Y499-W508 HydrophobicContact CD2-CH2 4.46Å; Y499-W508 AromaticContact CD2-CZ2 3.97Å; Y499-W508 HydrophobicContact CD2-CZ2 3.97Å; Y499-W508 AromaticContact CD2-NE1 3.8Å; Y499-W508 HydrophobicContact CG-CZ2 4.5Å |
| 509 | A | 90.3 | Very high | 86 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 144 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I479 F481 W497 W498 V500 C511 I514 | I479-A509 HydrophobicContact CG2-CB 3.85Å; F481-A509 HydrophobicContact CE1-CB 3.59Å; F481-A509 HydrophobicContact CZ-CB 4.14Å; W497-A509 CarbonylContact C-O 2.98Å; W497-A509 WeakPolarHBondContact CA-O 3.17Å; W498-A509 PolarHBondContact N-O 2.95Å; W498-A509 PolarHBondContact O-N 3.41Å; V500-A509 HydrophobicContact CG2-CB 3.53Å; A509-C511 PolarHBondContact O-N 3.42Å; A509-I514 HydrophobicContact CB-CD1 3.71Å |
| 510 | P | 88.8 | Confident | 83.8 | Confident | 13 Ų | 13 | 72.3 Ų | 72.3 | 8% | 0.084 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 130.7 | 174.7 | -12.1 | 25.8 | 0 | 0 | 0 | 110.6 | F471 W497 S512 Y513 | F471-P510 HydrophobicContact CD2-CG 4.12Å; F471-P510 HydrophobicContact CE1-CG 4.32Å; F471-P510 HydrophobicContact CE2-CG 3.55Å; F471-P510 HydrophobicContact CZ-CG 3.66Å; W497-P510 HydrophobicContact CD2-CG 4.47Å; W497-P510 HydrophobicContact CE3-CG 4.08Å; W497-P510 HydrophobicContact CH2-CG 3.82Å; W497-P510 HydrophobicContact CZ2-CG 4.19Å; W497-P510 HydrophobicContact CZ3-CG 3.75Å; P510-S512 PolarHBondContact O-N 2.92Å; P510-S512 VanDerWaalsContact O-N 3.14Å; P510-Y513 HydrophobicContact CB-CD2 4.04Å; P510-Y513 HydrophobicContact CG-CD2 4.21Å; P510-Y513 PolarHBondContact O-N 3.06Å |
| 511 | C | 88.3 | Confident | 81.3 | Confident | 40 Ų | 40 | 78.3 Ų | 78.3 | 27% | 0.27 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -64.4 | -21.6 | -178 | 74 | 0 | 0 | 0 | 0 | 113.3 | G496 W498 A509 Y513 I514 | G496-C511 PolarHBondContact O-N 2.68Å; G496-C511 PolarHBondContact O-SG 2.96Å; W498-C511 HydrophobicContact CD2-CB 3.52Å; W498-C511 HydrophobicContact CE3-CB 4.03Å; W498-C511 HydrophobicContact CG-CB 3.86Å; W498-C511 HydrophobicContact CH2-CB 4.2Å; W498-C511 HydrophobicContact CZ2-CB 3.74Å; W498-C511 HydrophobicContact CZ3-CB 4.34Å; A509-C511 PolarHBondContact O-N 3.42Å; C511-Y513 PolarHBondContact O-N 3.42Å; C511-I514 PolarHBondContact O-N 3.37Å |
| 512 | S | 89.1 | Confident | 79.2 | Confident | 85 Ų | 85 | 82 Ų | 82 | 59% | 0.594 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -62.6 | -20.7 | 172.4 | 49.6 | 0 | 0 | 0 | 0 | 113.5 | P510 | P510-S512 PolarHBondContact O-N 2.92Å; P510-S512 VanDerWaalsContact O-N 3.14Å |
| 513 | Y | 86.2 | Confident | 76.6 | Confident | 83 Ų | 83 | 86.2 Ų | 86.2 | 33% | 0.325 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -94.5 | 3.1 | 175.7 | -74.9 | -107.8 | 0 | 0 | 0 | 112.8 | T467 I468 A469 F471 F481 P510 C511 | T467-Y513 CarbonylContact C-O 3.56Å; T467-Y513 VanDerWaalsContact CA-O 3.25Å; T467-Y513 WeakPolarHBondContact CA-O 3.13Å; I468-Y513 PolarHBondContact N-O 3.39Å; A469-Y513 HydrophobicContact CB-CD1 3.92Å; A469-Y513 HydrophobicContact CB-CE1 3.95Å; F471-Y513 HydrophobicContact CB-CD1 3.91Å; F471-Y513 HydrophobicContact CB-CE1 4.18Å; F471-Y513 HydrophobicContact CB-CG 4.45Å; F471-Y513 HydrophobicContact CD2-CD1 4.46Å; F471-Y513 HydrophobicContact CD2-CE1 4.31Å; F471-Y513 HydrophobicContact CD2-CE2 4.36Å; F481-Y513 HydrophobicContact CE2-CD1 4.44Å; F481-Y513 HydrophobicContact CZ-CG 4.49Å; P510-Y513 HydrophobicContact CB-CD2 4.04Å; P510-Y513 HydrophobicContact CG-CD2 4.21Å; P510-Y513 PolarHBondContact O-N 3.06Å; C511-Y513 PolarHBondContact O-N 3.42Å |
| 514 | I | 90.1 | Very high | 74.2 | Confident | 9 Ų | 9 | 95 Ų | 95 | 5% | 0.046 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 104.9 | -169.4 | -57.2 | -171.4 | 0 | 0 | 0 | 111.7 | Y465 A487 V489 W498 V500 A509 C511 | Y465-I514 HydrophobicContact CD1-CG2 4.25Å; Y465-I514 HydrophobicContact CG-CG2 4.31Å; A487-I514 HydrophobicContact CB-CG2 4.45Å; V489-I514 HydrophobicContact CG2-CG2 4.22Å; W498-I514 HydrophobicContact CE3-CB 4.24Å; W498-I514 HydrophobicContact CE3-CG2 4Å; W498-I514 HydrophobicContact CZ3-CB 4.22Å; W498-I514 HydrophobicContact CZ3-CG2 3.88Å; V500-I514 HydrophobicContact CB-CD1 4.31Å; V500-I514 HydrophobicContact CG1-CD1 3.64Å; V500-I514 HydrophobicContact CG2-CD1 3.94Å; A509-I514 HydrophobicContact CB-CD1 3.71Å; C511-I514 PolarHBondContact O-N 3.37Å |
| 515 | D | 89.1 | Confident | 71.8 | Confident | 61 Ų | 61 | 96.5 Ų | 96.5 | 33% | 0.326 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 134.3 | -178.7 | 175.2 | 22 | 0 | 0 | 0 | 111.8 | Y465 Y466 I468 R517 | Y465-D515 CarbonylContact C-O 3.53Å; Y465-D515 VanDerWaalsContact CA-O 3.25Å; Y465-D515 WeakPolarHBondContact CA-O 3.26Å; Y466-D515 PolarHBondContact N-O 2.91Å; Y466-D515 PolarHBondContact O-N 2.85Å; I468-D515 HydrophobicContact CG2-CB 3.36Å; D515-R517 PolarHBondContact O-N 2.8Å; D515-R517 IonicContact OD2-CZ 3.98Å; D515-R517 IonicContact OD2-NE 2.77Å; D515-R517 PolarHBondContact OD2-NE 3.21Å; D515-R517 IonicContact OD2-NH2 3.43Å; D515-R517 PolarHBondContact OD2-NH2 3.43Å |
| 516 | K | 89.2 | Confident | 69.3 | Low | 122 Ų | 122 | 95.4 Ų | 95.4 | 53% | 0.53 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 97.5 | -178 | -176.4 | 178.6 | -174.6 | 175.2 | 0 | 110.7 | A463 Y465 | A463-K516 HydrophobicContact CB-CD 4.27Å; A463-K516 HydrophobicContact CB-CG 3.98Å; Y465-K516 HydrophobicContact CD1-CB 3.68Å; Y465-K516 HydrophobicContact CD1-CG 3.86Å; Y465-K516 HydrophobicContact CE1-CB 3.58Å; Y465-K516 HydrophobicContact CE1-CD 3.61Å; Y465-K516 HydrophobicContact CE1-CG 3.37Å; Y465-K516 WeakPolarHBondContact OH-CE 3.29Å |
| 517 | R | 78.3 | Confident | 66.4 | Low | 132 Ų | 132 | 95.6 Ų | 95.6 | 50% | 0.498 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 118.9 | -178.7 | -60.3 | -168.6 | 172.6 | -175.1 | -1.8 | 110.9 | E464 Y466 D515 K519 | E464-R517 PolarHBondContact N-O 3.42Å; E464-R517 VanDerWaalsContact N-O 3.12Å; E464-R517 WeakPolarHBondContact O-CA 3.49Å; E464-R517 PolarHBondContact O-N 3.11Å; E464-R517 VanDerWaalsContact O-O 3.08Å; Y466-R517 HydrophobicContact CD2-CB 4.22Å; Y466-R517 HydrophobicContact CD2-CG 4.18Å; D515-R517 PolarHBondContact O-N 2.8Å; D515-R517 IonicContact OD2-CZ 3.98Å; D515-R517 IonicContact OD2-NE 2.77Å; D515-R517 PolarHBondContact OD2-NE 3.21Å; D515-R517 IonicContact OD2-NH2 3.43Å; D515-R517 PolarHBondContact OD2-NH2 3.43Å; R517-K519 PolarHBondContact O-N 2.9Å |
| 518 | K | 68.7 | Low | 63.6 | Low | 150 Ų | 150 | 102 Ų | 102 | 65% | 0.652 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 120.6 | 170.7 | -178.3 | 175.7 | 179.5 | 177.5 | 0 | 108.6 | V461 | V461-K518 HydrophobicContact CG1-CD 4.33Å; V461-K518 HydrophobicContact CG1-CG 3.99Å |
| 519 | K | 55 | Low | 60.7 | Low | 66 Ų | 66 | 107.4 Ų | 107.4 | 29% | 0.287 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -51.3 | 123.9 | 173.3 | -76.2 | -174.9 | 175.6 | 178.1 | 0 | 110.2 | E462 E464 R517 N521 | E462-K519 HydrophobicContact CB-CD 4.06Å; E462-K519 IonicContact OE2-NZ 3.2Å; E462-K519 PolarHBondContact OE2-NZ 3.06Å; E464-K519 VanDerWaalsContact OE1-CE 3.25Å; E464-K519 WeakPolarHBondContact OE1-CE 3.11Å; E464-K519 IonicContact OE1-NZ 2.72Å; E464-K519 PolarHBondContact OE1-NZ 3.14Å; E464-K519 WeakPolarHBondContact OE2-CE 3.31Å; E464-K519 IonicContact OE2-NZ 2.63Å; R517-K519 PolarHBondContact O-N 2.9Å; K519-N521 PolarHBondContact O-N 3.48Å; K519-N521 PolarHBondContact O-ND2 3.43Å |
| 520 | P | 45.7 | Very low | 57.9 | Low | 107 Ų | 107 | 114.1 Ų | 114.1 | 70% | 0.695 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 129.4 | 165.3 | 26.2 | -32.2 | 0 | 0 | 0 | 107.5 | L522 | P520-L522 PolarHBondContact O-N 3.33Š|
| 521 | N | 38.5 | Very low | 55.2 | Low | 126 Ų | 126 | 124.1 Ų | 124.1 | 67% | 0.674 | 63% | 0.629 | S | S | * | * | trans | -76.8 | 71.6 | -170.4 | -88.7 | -132.9 | 0 | 0 | 0 | 111.3 | K519 S523 | K519-N521 PolarHBondContact O-N 3.48Å; K519-N521 PolarHBondContact O-ND2 3.43Å; N521-S523 VanDerWaalsContact C-N 3.26Å; N521-S523 PolarHBondContact O-N 2.73Å; N521-S523 VanDerWaalsContact O-N 3.15Å | ||
| 522 | L | 47.8 | Very low | 52.4 | Low | 161 Ų | 161 | 128 Ų | 128 | 84% | 0.843 | 65% | 0.653 | S | S | * | * | trans | -90.6 | 49.5 | -171.5 | -149.2 | 146.8 | 0 | 0 | 0 | 111.4 | P520 | P520-L522 PolarHBondContact O-N 3.33Š| ||
| 523 | S | 36.3 | Very low | 49.6 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 73% | 0.734 | 67% | 0.667 | S | S | * | * | trans | -146.7 | 36.5 | -170.4 | 54.9 | 0 | 0 | 0 | 0 | 114.9 | N521 | N521-S523 VanDerWaalsContact C-N 3.26Å; N521-S523 PolarHBondContact O-N 2.73Å; N521-S523 VanDerWaalsContact O-N 3.15Å | ||
| 524 | R | 37.6 | Very low | 47 | Very low | 244 Ų | 244 | 135.4 Ų | 135.4 | 92% | 0.921 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -109.3 | 43.5 | 161.9 | -154.8 | -168.1 | -83.1 | -127.2 | -1.2 | 114.1 | ||
| 525 | R | 33.5 | Very low | 44.4 | Very low | 230 Ų | 230 | 140.1 Ų | 140.1 | 87% | 0.868 | 72% | 0.717 | S | S | * | * | S | Bend | -176.9 | 126.8 | 128.1 | -106.1 | 175.4 | 166.6 | -146.8 | -6.8 | 113.4 | |||
| 526 | S | 31.1 | Very low | 41.9 | Very low | 96 Ų | 96 | 143.1 Ų | 143.1 | 67% | 0.671 | 74% | 0.74 | S | S | * | * | trans | 27.7 | 107.7 | 145.3 | 57.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 527 | S | 31.3 | Very low | 39.2 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | 35.6 | 90.6 | 118.1 | -169.1 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 528 | T | 30.5 | Very low | 37.3 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | -159.9 | 147.3 | 127.5 | -3.5 | 0 | 0 | 0 | 0 | 109.8 | T530 | T528-T530 PolarHBondContact O-N 2.85Š| |||
| 529 | L | 30.1 | Very low | 35.8 | Very low | 172 Ų | 172 | 139.8 Ų | 139.8 | 90% | 0.901 | 77% | 0.771 | S | S | * | * | trans | -71.4 | 125.8 | 170.8 | -97.6 | 75 | 0 | 0 | 0 | 110 | ||||
| 530 | T | 31.4 | Very low | 35 | Very low | 140 Ų | 140 | 142 Ų | 142 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | -138.5 | 119.4 | 138.5 | -35.9 | 0 | 0 | 0 | 0 | 110.8 | T528 | T528-T530 PolarHBondContact O-N 2.85Š| ||
| 531 | R | 32.2 | Very low | 34.4 | Very low | 224 Ų | 224 | 143.5 Ų | 143.5 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -58.2 | 145.1 | 178.8 | -175.3 | -176.4 | -173.2 | -172.1 | 3.6 | 111.8 | K533 | R531-K533 PolarHBondContact O-N 2.97Š| ||
| 532 | P | 29.3 | Very low | 34 | Very low | 122 Ų | 122 | 146 Ų | 146 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -60 | 135.8 | 175.1 | 25.5 | -35.1 | 0 | 0 | 0 | 111.4 | ||||
| 533 | K | 29 | Very low | 33.2 | Very low | 204 Ų | 204 | 146.9 Ų | 146.9 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -100.8 | 115.1 | 176.3 | -168 | 74.9 | 176.4 | -173 | 0 | 109.5 | R531 | R531-K533 PolarHBondContact O-N 2.97Š| ||
| 534 | V | 33.1 | Very low | 32.7 | Very low | 119 Ų | 119 | 149.2 Ų | 149.2 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 146.7 | 170.2 | 175.2 | 0 | 0 | 0 | 0 | 110.1 | ||
| 535 | P | 34.5 | Very low | 32.2 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 151.8 | 176.4 | 21.2 | -35.2 | 0 | 0 | 0 | 113.5 | ||
| 536 | P | 37.1 | Very low | 32.1 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 138.5 | -179.1 | 29.5 | -34.6 | 0 | 0 | 0 | 112 | ||
| 537 | P | 33.1 | Very low | 32 | Very low | 123 Ų | 123 | 142.5 Ų | 142.5 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 161.6 | 174.8 | 34 | -35.7 | 0 | 0 | 0 | 112.4 | ||
| 538 | A | 37.8 | Very low | 31.8 | Very low | 92 Ų | 92 | 145.9 Ų | 145.9 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 154.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 539 | P | 36.5 | Very low | 31.6 | Very low | 119 Ų | 119 | 143.4 Ų | 143.4 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -91.5 | -179.9 | -175.3 | 44.1 | -40.8 | 0 | 0 | 0 | 111.1 | ||||
| 540 | P | 39.6 | Very low | 32.1 | Very low | 113 Ų | 113 | 140.4 Ų | 140.4 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | -125.8 | -173.3 | -98 | 30.9 | -9.1 | 0 | 0 | 0 | 112.6 | |||||
| 541 | I | 31.9 | Very low | 31.7 | Very low | 139 Ų | 139 | 142.6 Ų | 142.6 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | 168.7 | 128 | 127.3 | -89.8 | 158.6 | 0 | 0 | 0 | 112.8 | |||||
| 542 | K | 30.7 | Very low | 32 | Very low | 179 Ų | 179 | 136.6 Ų | 136.6 | 78% | 0.778 | 77% | 0.767 | S | S | * | * | trans | 57.6 | 120.8 | 157 | -70.4 | 168.2 | -165 | 172.5 | 0 | 118.3 | ||||
| 543 | K | 30.1 | Very low | 31.7 | Very low | 178 Ų | 178 | 138.4 Ų | 138.4 | 77% | 0.774 | 77% | 0.769 | S | S | * | * | 68.3 | 141.7 | 92.1 | -69.5 | -173.2 | 164.8 | -149.9 | 0 | 113.8 | |||||
| 544 | Q | 27.2 | Very low | 31.4 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | cis | -145 | -178.8 | 8.9 | -152.6 | 157 | -64.3 | 0 | 0 | 111.6 | ||||
| 545 | D | 26.3 | Very low | 31.7 | Very low | 137 Ų | 137 | 135.4 Ų | 135.4 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | -66.8 | 154.1 | -176.2 | -42.1 | -95.3 | 0 | 0 | 0 | 114.8 | ||||
| 546 | S | 30.7 | Very low | 31.2 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | 175.5 | 122.7 | 108 | -97.1 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 547 | E | 29.1 | Very low | 30.8 | Very low | 182 Ų | 182 | 134.1 Ų | 134.1 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | trans | 46.2 | 149.7 | 130.6 | -120 | 162.7 | 169.1 | 0 | 0 | 126.5 | ||||
| 548 | E | 28.3 | Very low | 30.5 | Very low | 187 Ų | 187 | 137.8 Ų | 137.8 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | trans | 77.7 | 168.5 | 151.7 | -145.4 | 155.5 | -164.1 | 0 | 0 | 120.6 | ||||
| 549 | A | 26.6 | Very low | 30 | Very low | 85 Ų | 85 | 137.7 Ų | 137.7 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | trans | -137.7 | -147.7 | -167.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 550 | P | 39.1 | Very low | 29.5 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | -117.7 | 154.4 | -52.3 | 34.4 | -22.6 | 0 | 0 | 0 | 112.7 | |||||
| 551 | Q | 23.1 | Very low | 28.8 | Very low | 185 Ų | 185 | 141.9 Ų | 141.9 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | 61.7 | 178.9 | 164.1 | -72.7 | -166.2 | 20 | 0 | 0 | 116 | ||||
| 552 | P | 38.4 | Very low | 28.6 | Very low | 98 Ų | 98 | 143.7 Ų | 143.7 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | cis | -126.1 | -162.3 | -37.3 | 28.2 | -7.2 | 0 | 0 | 0 | 111.8 | ||||
| 553 | L | 22.8 | Very low | 28.9 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | 83.6 | 143.2 | 152.2 | -69.8 | 167 | 0 | 0 | 0 | 121.9 | ||||
| 554 | N | 24.1 | Very low | 28.7 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | -58.6 | 172.4 | 161.9 | -65.9 | -30.7 | 0 | 0 | 0 | 112.1 | ||||
| 555 | P | 39.4 | Very low | 28.7 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | cis | -148.5 | -162.9 | 29.1 | 45.4 | -23.7 | 0 | 0 | 0 | 118.2 | ||||
| 556 | S | 23.5 | Very low | 29.3 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | -29.6 | 158.7 | 164.3 | 58.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 557 | S | 29.7 | Very low | 29.1 | Very low | 98 Ų | 98 | 139.3 Ų | 139.3 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | -175.4 | 149.8 | 54.5 | 62.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 558 | K | 26.5 | Very low | 29 | Very low | 200 Ų | 200 | 140.9 Ų | 140.9 | 87% | 0.87 | 77% | 0.774 | S | S | * | * | 82.2 | 149.7 | 106.8 | -83.4 | -172.7 | 172.2 | -169.4 | 0 | 117.6 | |||||
| 559 | A | 27.3 | Very low | 29 | Very low | 90 Ų | 90 | 137.8 Ų | 137.8 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | trans | 64.1 | 130.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 560 | T | 25.2 | Very low | 29 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | cis | 85.4 | 97.6 | 35.3 | -54.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 561 | E | 25 | Very low | 29.5 | Very low | 189 Ų | 189 | 141.1 Ų | 141.1 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | -177.2 | 163.1 | 128.4 | -101.9 | -178.2 | 139.9 | 0 | 0 | 112.1 | |||||
| 562 | Q | 27.2 | Very low | 29.6 | Very low | 177 Ų | 177 | 140 Ų | 140 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | trans | -116.9 | 173.2 | 166.2 | -65.3 | -174.5 | -6.4 | 0 | 0 | 108.7 | ||||
| 563 | P | 38.3 | Very low | 29.3 | Very low | 120 Ų | 120 | 144 Ų | 144 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | -153.3 | 139.8 | 103 | 36.4 | -17.4 | 0 | 0 | 0 | 118.5 | |||||
| 564 | S | 26.2 | Very low | 29.6 | Very low | 92 Ų | 92 | 142.7 Ų | 142.7 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | trans | 40.9 | 121 | 136.9 | 69.4 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 565 | R | 26.5 | Very low | 30 | Very low | 234 Ų | 234 | 143 Ų | 143 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | 59.6 | 145.7 | 119.3 | -71.2 | -171.2 | 177.6 | -167.3 | -0.8 | 121.1 | |||||
| 566 | P | 38.2 | Very low | 30 | Very low | 116 Ų | 116 | 143.7 Ų | 143.7 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | -138.6 | 146.1 | 72.4 | 38.5 | -20.2 | 0 | 0 | 0 | 116.7 | |||||
| 567 | V | 26.7 | Very low | 30.4 | Very low | 105 Ų | 105 | 143 Ų | 143 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | 69.9 | 121.5 | 111.7 | 174.6 | 0 | 0 | 0 | 0 | 114.1 | E569 | V567-E569 WeakPolarHBondContact CG1-OE2 3.44Š| |||
| 568 | Y | 27.6 | Very low | 30.3 | Very low | 214 Ų | 214 | 146.9 Ų | 146.9 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | -170.1 | 153.9 | 53.4 | -178.2 | -97.3 | 0 | 0 | 0 | 112 | |||||
| 569 | E | 27.5 | Very low | 30.5 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 57% | 0.57 | 76% | 0.757 | S | S | * | * | cis | -156 | -68.1 | -41.3 | -135.5 | 76.4 | -79.6 | 0 | 0 | 114.6 | V567 | V567-E569 WeakPolarHBondContact CG1-OE2 3.44Š| ||
| 570 | E | 26.5 | Very low | 30.6 | Very low | 168 Ų | 168 | 146.4 Ų | 146.4 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -152.2 | 170.5 | -160.4 | -100.4 | -151.2 | 100.6 | 0 | 0 | 117.7 | ||||
| 571 | P | 49 | Very low | 30.9 | Very low | 97 Ų | 97 | 147.8 Ų | 147.8 | 63% | 0.63 | 76% | 0.76 | S | S | * | * | cis | -111.6 | -149.7 | 1.7 | 42.6 | -31.5 | 0 | 0 | 0 | 112.4 | ||||
| 572 | E | 26.7 | Very low | 31.1 | Very low | 161 Ų | 161 | 141.8 Ų | 141.8 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | cis | -160.5 | 163.1 | 10.6 | -124.7 | -173.7 | -96.9 | 0 | 0 | 106.7 | ||||
| 573 | Y | 31.9 | Very low | 31.2 | Very low | 183 Ų | 183 | 142.9 Ų | 142.9 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | cis | -157.2 | -135.4 | -4.5 | -158.3 | -12.6 | 0 | 0 | 0 | 112 | ||||
| 574 | D | 28.6 | Very low | 30.7 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | -83.3 | 151.5 | -161.7 | -85.6 | -17.9 | 0 | 0 | 0 | 118.8 | ||||
| 575 | I | 33.3 | Very low | 30.8 | Very low | 154 Ų | 154 | 145.7 Ų | 145.7 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | -146.2 | 136.2 | 167.9 | -58.8 | 174.6 | 0 | 0 | 0 | 110.5 | ||||
| 576 | P | 38.9 | Very low | 30.8 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -88 | 150.5 | 165 | -9.8 | 28.7 | 0 | 0 | 0 | 113.9 | ||||
| 577 | A | 31.9 | Very low | 30.3 | Very low | 92 Ų | 92 | 142.3 Ų | 142.3 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | trans | -124.3 | -154.2 | -156.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 578 | I | 27.6 | Very low | 30.2 | Very low | 178 Ų | 178 | 146.4 Ų | 146.4 | 91% | 0.913 | 77% | 0.772 | S | S | * | * | trans | 97.3 | 133.6 | -179.3 | -56.4 | 159.4 | 0 | 0 | 0 | 114.1 | ||||
| 579 | G | 30 | Very low | 30.2 | Very low | 63 Ų | 63 | 142.5 Ų | 142.5 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | cis | 159.2 | 164.3 | -9.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 580 | Y | 29.8 | Very low | 30.2 | Very low | 217 Ų | 217 | 145.9 Ų | 145.9 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | 73.8 | 164.7 | 166 | -108.4 | -93 | 0 | 0 | 0 | 120.8 | ||||
| 581 | E | 31.7 | Very low | 30.2 | Very low | 161 Ų | 161 | 144.5 Ų | 144.5 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | -161.7 | 168.2 | -73.1 | -161 | 177.1 | -132.4 | 0 | 0 | 110.8 | |||||
| 582 | G | 28.9 | Very low | 29 | Very low | 63 Ų | 63 | 146.3 Ų | 146.3 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | trans | 100.3 | 122.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 583 | E | 28.9 | Very low | 29.1 | Very low | 200 Ų | 200 | 148.9 Ų | 148.9 | 94% | 0.935 | 78% | 0.782 | S | S | * | * | cis | 70.8 | 141.8 | 46.2 | -58.5 | -150.7 | 152.8 | 0 | 0 | 114.7 | ||||
| 584 | S | 27.8 | Very low | 28.9 | Very low | 113 Ų | 113 | 144.5 Ų | 144.5 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | cis | -148.8 | 164 | 19.9 | 61.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 585 | D | 28.7 | Very low | 28.8 | Very low | 158 Ų | 158 | 146.4 Ų | 146.4 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | -76.1 | 168.1 | 174.7 | -76.4 | -59.8 | 0 | 0 | 0 | 116 | ||||
| 586 | S | 27 | Very low | 28.3 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | -173.5 | 148.3 | 128.2 | -81.5 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 587 | E | 27.7 | Very low | 27.8 | Very low | 153 Ų | 153 | 145 Ų | 145 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | trans | -91.2 | 174.3 | -177.9 | -50.6 | -179 | 107.4 | 0 | 0 | 114 | ||||
| 588 | F | 23.3 | Very low | 27.6 | Very low | 192 Ų | 192 | 149 Ų | 149 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | -177.2 | 164.6 | 106 | -107.6 | -80.5 | 0 | 0 | 0 | 113.7 | |||||
| 589 | L | 29 | Very low | 27.6 | Very low | 132 Ų | 132 | 146.6 Ų | 146.6 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | trans | -121.5 | 150 | -166.7 | -64.3 | 143.8 | 0 | 0 | 0 | 113.4 | ||||
| 590 | K | 27.2 | Very low | 27.4 | Very low | 192 Ų | 192 | 148 Ų | 148 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | 166.8 | 154.8 | 115.1 | -91 | 164.4 | -175.9 | 172.1 | 0 | 116.5 | |||||
| 591 | N | 25.5 | Very low | 27.2 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | 8.8 | 134.5 | 156.6 | -58.1 | 25 | 0 | 0 | 0 | 120 | ||||
| 592 | D | 25.3 | Very low | 27 | Very low | 136 Ų | 136 | 142.8 Ų | 142.8 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | cis | 77.7 | 104.7 | 48 | -174.8 | 35.2 | 0 | 0 | 0 | 114.9 | ||||
| 593 | R | 28.8 | Very low | 26.9 | Very low | 214 Ų | 214 | 145.2 Ų | 145.2 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | 166.6 | 143.2 | 100.5 | -158.2 | 175.2 | 170 | -170 | -4.1 | 116.2 | |||||
| 594 | S | 27.6 | Very low | 26.9 | Very low | 91 Ų | 91 | 140.8 Ų | 140.8 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | trans | 72 | 137.9 | 150.1 | 42.6 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 595 | Q | 25.1 | Very low | 26.8 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | 67.9 | 154.3 | 153.1 | -74.1 | -173.1 | -79.4 | 0 | 0 | 119.7 | ||||
| 596 | E | 23.3 | Very low | 26.7 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | cis | -169.4 | 179 | -29.3 | -155.5 | -176.2 | 137.8 | 0 | 0 | 109.1 | ||||
| 597 | V | 28.2 | Very low | 26.7 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | trans | 76.6 | 104.9 | 155.7 | 178.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 598 | K | 28.6 | Very low | 26.7 | Very low | 175 Ų | 175 | 142.7 Ų | 142.7 | 76% | 0.761 | 72% | 0.722 | S | S | * | * | trans | 58.7 | 146.5 | 134 | -64.5 | -179.4 | -173.8 | 169.6 | 0 | 124.4 | ||||
| 599 | T | 27.2 | Very low | 26.8 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | trans | 66.7 | 150.4 | 142.9 | 46.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 600 | S | 25 | Very low | 26.7 | Very low | 94 Ų | 94 | 137.8 Ų | 137.8 | 66% | 0.657 | 72% | 0.723 | S | S | * | * | cis | -174.1 | 166.9 | -21.5 | 53.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 601 | N | 25.8 | Very low | 28.1 | Very low | 146 Ų | 146 | 134.1 Ų | 134.1 | 78% | 0.781 | 72% | 0.718 | S | S | * | * | trans | 26.3 | 148.6 | 137 | -66.1 | 4.5 | 0 | 0 | 0 | 122.7 | ||||
| 602 | V | 27.1 | Very low | 29 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | cis | -178.1 | 165.1 | -17.5 | 78.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 603 | V | 28.2 | Very low | 29.1 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 69% | 0.691 | 73% | 0.726 | S | S | * | * | trans | 58.9 | 120.1 | 156.4 | 172.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 604 | S | 27.6 | Very low | 28.9 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | -177.8 | 131.4 | 115.6 | -74.5 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 605 | E | 26.5 | Very low | 28.9 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 67% | 0.668 | 73% | 0.733 | S | S | * | * | 62.4 | 134.9 | 65 | -73.4 | -122.3 | 154.8 | 0 | 0 | 113.9 | |||||
| 606 | K | 27 | Very low | 29 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 53% | 0.53 | 73% | 0.73 | S | S | . | * | cis | -176.9 | 170.1 | -14.4 | -160.5 | 156.7 | 170.2 | -177 | 0 | 109.8 | ||||
| 607 | Y | 27.4 | Very low | 30.3 | Very low | 168 Ų | 168 | 127.2 Ų | 127.2 | 66% | 0.659 | 73% | 0.734 | S | S | * | * | trans | 68.8 | 165.5 | 166.5 | -50 | -67.4 | 0 | 0 | 0 | 116.5 | ||||
| 608 | H | 27.3 | Very low | 31.9 | Very low | 156 Ų | 156 | 127.7 Ų | 127.7 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | cis | -152.1 | 152.9 | 1.1 | -131.1 | -53.2 | 0 | 0 | 0 | 112 | ||||
| 609 | S | 26 | Very low | 33.4 | Very low | 110 Ų | 110 | 124.3 Ų | 124.3 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | trans | 79.1 | 147.4 | 144.1 | -58.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 610 | S | 27.1 | Very low | 33.5 | Very low | 112 Ų | 112 | 125 Ų | 125 | 78% | 0.783 | 74% | 0.739 | S | S | * | * | trans | -162.7 | 175.4 | 167.2 | 61.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 611 | P | 55.8 | Low | 33.6 | Very low | 115 Ų | 115 | 125.9 Ų | 125.9 | 75% | 0.747 | 74% | 0.743 | S | S | * | * | cis | -110.2 | -154.5 | -25.6 | 34.2 | -14.7 | 0 | 0 | 0 | 110.4 | ||||
| 612 | P | 43.3 | Very low | 33.6 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 86% | 0.857 | 75% | 0.751 | S | S | * | * | -148.1 | -149.7 | 90.7 | 40.5 | -20.6 | 0 | 0 | 0 | 114.4 | |||||
| 613 | S | 27.4 | Very low | 33.7 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | -139.7 | 166.4 | -152.1 | -175.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 614 | S | 26.1 | Very low | 33.9 | Very low | 100 Ų | 100 | 127.9 Ų | 127.9 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | trans | 87.7 | 125.3 | 151.9 | 78.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 615 | K | 26.6 | Very low | 34.9 | Very low | 206 Ų | 206 | 128 Ų | 128 | 90% | 0.896 | 76% | 0.755 | S | S | * | * | -179.4 | 166.2 | 114.3 | -96.9 | 170.9 | -177.1 | 178.1 | 0 | 113 | |||||
| 616 | A | 28 | Very low | 35.2 | Very low | 90 Ų | 90 | 126.6 Ų | 126.6 | 74% | 0.744 | 76% | 0.756 | S | S | * | * | trans | -159.7 | -162.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 617 | P | 51 | Low | 35.3 | Very low | 118 Ų | 118 | 130 Ų | 130 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | -118.6 | -126.6 | -54.4 | 37 | -18.9 | 0 | 0 | 0 | 108.8 | |||||
| 618 | P | 61.5 | Low | 35.4 | Very low | 114 Ų | 114 | 125.6 Ų | 125.6 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | cis | -110.1 | -70.9 | -42.7 | 25 | -15 | 0 | 0 | 0 | 123.2 | ||||
| 619 | P | 59.7 | Low | 35.5 | Very low | 104 Ų | 104 | 126.8 Ų | 126.8 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | -132 | 161.6 | -126.5 | 40.6 | -24.2 | 0 | 0 | 0 | 118.9 | |||||
| 620 | V | 28.8 | Very low | 35.6 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | -164.7 | 150.4 | 139.1 | 136.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 621 | C | 26.4 | Very low | 35.7 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 75% | 0.75 | 78% | 0.777 | S | S | * | * | trans | -136.8 | 156.6 | -173.7 | -48.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 622 | K | 26.9 | Very low | 34.3 | Very low | 218 Ų | 218 | 137 Ų | 137 | 95% | 0.948 | 78% | 0.78 | S | S | * | * | trans | -172.3 | 166.5 | 145.1 | -105.8 | 159 | -172.2 | 180 | 0 | 113 | ||||
| 623 | A | 28.8 | Very low | 33.4 | Very low | 88 Ų | 88 | 136.1 Ų | 136.1 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -160.9 | 166.2 | -153.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 624 | S | 32 | Very low | 33.3 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 69.9 | 172.7 | 159.7 | -68.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 625 | P | 50.2 | Low | 33.2 | Very low | 109 Ų | 109 | 146 Ų | 146 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | cis | -143.6 | 158.7 | 15.4 | 43.5 | -24.3 | 0 | 0 | 0 | 120.6 | ||||
| 626 | V | 31.1 | Very low | 33 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 70% | 0.697 | 78% | 0.776 | S | S | * | * | trans | 56.8 | 134.9 | 130.7 | 179.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 627 | F | 29.5 | Very low | 32.8 | Very low | 192 Ų | 192 | 141.7 Ų | 141.7 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | cis | -129.1 | -178.3 | 37.7 | -70.6 | -93.4 | 0 | 0 | 0 | 112.3 | ||||
| 628 | A | 29.8 | Very low | 31.5 | Very low | 76 Ų | 76 | 144.1 Ų | 144.1 | 63% | 0.628 | 77% | 0.773 | S | S | * | * | cis | -171.1 | -150.4 | -34 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 629 | H | 30 | Very low | 30 | Very low | 181 Ų | 181 | 146.7 Ų | 146.7 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | cis | -170.6 | 143.3 | -25.7 | -114 | -29.5 | 0 | 0 | 0 | 102.5 | ||||
| 630 | R | 27.6 | Very low | 28.5 | Very low | 195 Ų | 195 | 147.9 Ų | 147.9 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | cis | -149.8 | 158.4 | 3.6 | -86.3 | 172.6 | -173.3 | -169.8 | 0.7 | 107.2 | ||||
| 631 | R | 29.6 | Very low | 28.7 | Very low | 228 Ų | 228 | 145.2 Ų | 145.2 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | 42.6 | 132 | 81.7 | -61 | -167 | -176.2 | -170.2 | 2.2 | 114.9 | |||||
| 632 | T | 25.3 | Very low | 29.1 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 80% | 0.798 | 76% | 0.764 | S | S | * | * | cis | -172.7 | 169.2 | 5.3 | 12.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 633 | S | 24.9 | Very low | 29.4 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | 94.7 | 180 | 146.5 | -143.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 634 | F | 25.1 | Very low | 29.6 | Very low | 187 Ų | 187 | 146 Ų | 146 | 82% | 0.82 | 75% | 0.747 | S | S | * | * | trans | -107.1 | 165.1 | -164.2 | -64.5 | -112.5 | 0 | 0 | 0 | 114.4 | ||||
| 635 | R | 24.4 | Very low | 29.7 | Very low | 232 Ų | 232 | 146.2 Ų | 146.2 | 88% | 0.875 | 75% | 0.747 | S | S | * | * | trans | 56.7 | 135.5 | 144.7 | -92.8 | -170.5 | 179.7 | -118.3 | 9.4 | 122.2 | ||||
| 636 | S | 21.6 | Very low | 28.8 | Very low | 95 Ų | 95 | 148.2 Ų | 148.2 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | trans | 89.2 | 130.3 | 137.9 | -103.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 637 | V | 24.1 | Very low | 28.6 | Very low | 110 Ų | 110 | 152.5 Ų | 152.5 | 67% | 0.667 | 76% | 0.755 | S | S | * | * | trans | 74.2 | 113.3 | 133 | 165.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 638 | E | 24.5 | Very low | 28.8 | Very low | 169 Ų | 169 | 151.2 Ų | 151.2 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | 57.3 | 141.6 | 116.8 | -130.4 | 155.2 | -107.3 | 0 | 0 | 119.3 | |||||
| 639 | E | 29.8 | Very low | 29 | Very low | 168 Ų | 168 | 155.7 Ų | 155.7 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | cis | -166.1 | -164.8 | -17.6 | 177.9 | 160.9 | -160 | 0 | 0 | 106.7 | ||||
| 640 | V | 28.7 | Very low | 29.1 | Very low | 129 Ų | 129 | 153 Ų | 153 | 78% | 0.782 | 76% | 0.757 | S | S | * | * | trans | 84.3 | 132.4 | 159.9 | 179.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 641 | S | 31.6 | Very low | 29.1 | Very low | 87 Ų | 87 | 146.9 Ų | 146.9 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | cis | -173.4 | 144.9 | -15 | 59.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 642 | K | 35.7 | Very low | 29 | Very low | 150 Ų | 150 | 144 Ų | 144 | 65% | 0.652 | 75% | 0.749 | S | S | * | * | trans | 55.6 | -172.4 | 147.8 | -56.1 | -179.8 | -172.3 | -179.7 | 0 | 119.7 | ||||
| 643 | E | 33.4 | Very low | 29.3 | Very low | 143 Ų | 143 | 149 Ų | 149 | 67% | 0.668 | 75% | 0.753 | S | S | * | * | cis | -161.1 | 147.6 | 5.4 | -145.3 | 142.1 | -164.3 | 0 | 0 | 107.9 | ||||
| 644 | E | 33.7 | Very low | 29.4 | Very low | 139 Ų | 139 | 150.5 Ų | 150.5 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | cis | -166.8 | -149.1 | -23.4 | -133.1 | 72.2 | -70.6 | 0 | 0 | 108.7 | ||||
| 645 | C | 34 | Very low | 29.6 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 83% | 0.831 | 75% | 0.748 | S | S | * | * | trans | 82.5 | 147.3 | 159.6 | -57.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 646 | I | 31.2 | Very low | 29.8 | Very low | 151 Ų | 151 | 140.9 Ų | 140.9 | 77% | 0.774 | 74% | 0.743 | S | S | * | * | cis | -145.5 | 131.7 | 12.9 | -70.2 | -173.1 | 0 | 0 | 0 | 113.1 | ||||
| 647 | Y | 26.6 | Very low | 30 | Very low | 204 Ų | 204 | 139.8 Ų | 139.8 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | trans | 39.3 | 166 | 148.7 | -76.3 | -114 | 0 | 0 | 0 | 124.7 | ||||
| 648 | E | 33.9 | Very low | 30.4 | Very low | 166 Ų | 166 | 142 Ų | 142 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | 178.9 | 149.7 | -58.9 | -107.1 | -172.4 | 171.4 | 0 | 0 | 111.3 | |||||
| 649 | N | 33.9 | Very low | 30.4 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 90% | 0.904 | 76% | 0.756 | S | S | * | * | trans | -176.6 | 157.7 | 165.2 | -126.1 | -19.1 | 0 | 0 | 0 | 110.7 | ||||
| 650 | D | 30.7 | Very low | 30.3 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 67% | 0.674 | 76% | 0.758 | S | S | * | * | -133.2 | 160.7 | -96.5 | -170.8 | 2.7 | 0 | 0 | 0 | 108.9 | F652 | D650-F652 WeakPolarHBondContact OD2-CE2 3.4Š| |||
| 651 | G | 28 | Very low | 30.1 | Very low | 66 Ų | 66 | 138.3 Ų | 138.3 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | trans | -178.6 | 4.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 652 | F | 28.5 | Very low | 29.8 | Very low | 168 Ų | 168 | 146.1 Ų | 146.1 | 74% | 0.737 | 78% | 0.775 | S | S | * | * | trans | 47.3 | 126.5 | 164.5 | -70.7 | -91.8 | 0 | 0 | 0 | 121.8 | D650 | D650-F652 WeakPolarHBondContact OD2-CE2 3.4Š| ||
| 653 | R | 31.5 | Very low | 29.4 | Very low | 233 Ų | 233 | 142.7 Ų | 142.7 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | 83.3 | 139.5 | 164 | -53.3 | -177.8 | -177 | -163.2 | 0.8 | 117.7 | ||||
| 654 | L | 27.1 | Very low | 29.1 | Very low | 145 Ų | 145 | 146 Ų | 146 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | cis | -172.5 | 129.8 | -25.6 | -120.3 | 168.1 | 0 | 0 | 0 | 109.5 | ||||
| 655 | S | 27.8 | Very low | 28.8 | Very low | 107 Ų | 107 | 143 Ų | 143 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | 60.3 | 155.6 | 150.3 | -74.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 656 | S | 29 | Very low | 28.4 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | cis | -171.4 | 148.6 | -8.1 | 46 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 657 | G | 26.8 | Very low | 28.2 | Very low | 72 Ų | 72 | 139.6 Ų | 139.6 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | 74.1 | 172.8 | 154 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 658 | L | 31.7 | Very low | 28.3 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | cis | -159.2 | -174.4 | -15.8 | -154.4 | 71.5 | 0 | 0 | 0 | 109.1 | ||||
| 659 | E | 25.9 | Very low | 29.1 | Very low | 177 Ų | 177 | 135.3 Ų | 135.3 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | -51 | 173.2 | 165 | -51.5 | 157.5 | 95.2 | 0 | 0 | 113.7 | ||||
| 660 | G | 27.5 | Very low | 28.7 | Very low | 80 Ų | 80 | 132.1 Ų | 132.1 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | 165 | 68.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 661 | T | 24 | Very low | 28.6 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -47.5 | 149.2 | 162.4 | -65.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 662 | R | 25.6 | Very low | 29.5 | Very low | 250 Ų | 250 | 134.2 Ų | 134.2 | 94% | 0.943 | 79% | 0.79 | S | S | * | * | trans | 75.6 | 123.8 | 164.5 | -84.6 | 169 | 174.1 | -172.2 | -0.3 | 119.7 | ||||
| 663 | G | 27.1 | Very low | 29.5 | Very low | 79 Ų | 79 | 137.3 Ų | 137.3 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | trans | -172.6 | 131.2 | 157.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 664 | K | 27.3 | Very low | 29.3 | Very low | 212 Ų | 212 | 129.8 Ų | 129.8 | 92% | 0.922 | 78% | 0.78 | S | S | * | * | trans | -67.7 | 147.5 | 167.9 | -64.2 | 174.2 | 179.7 | 176.4 | 0 | 108.2 | ||||
| 665 | G | 26.6 | Very low | 29.3 | Very low | 76 Ų | 76 | 133 Ų | 133 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | 77 | 140 | 76 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 666 | S | 26.7 | Very low | 29.2 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | cis | -157.7 | -174.6 | 8.2 | 55.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 667 | S | 26.4 | Very low | 29.2 | Very low | 97 Ų | 97 | 137.1 Ų | 137.1 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | trans | 51.4 | 117.7 | 149.5 | 53.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 668 | E | 28.9 | Very low | 29.7 | Very low | 183 Ų | 183 | 138.5 Ų | 138.5 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | 29.6 | 163.8 | 110.9 | -93.7 | -158.6 | 153.1 | 0 | 0 | 122.4 | |||||
| 669 | P | 50.2 | Low | 30.2 | Very low | 97 Ų | 97 | 136.5 Ų | 136.5 | 63% | 0.63 | 78% | 0.784 | S | S | * | * | cis | -140.7 | -166.5 | -6.6 | 31.7 | -7.9 | 0 | 0 | 0 | 115.3 | ||||
| 670 | S | 25.6 | Very low | 31 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | 100.9 | 120.7 | 136.2 | 78.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 671 | S | 28.3 | Very low | 31.8 | Very low | 115 Ų | 115 | 136 Ų | 136 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | 39.8 | 152 | 121.4 | -60.6 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 672 | P | 46.4 | Very low | 32.5 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | cis | -138.6 | -179.6 | 19.8 | 40.5 | -21 | 0 | 0 | 0 | 118.2 | ||||
| 673 | R | 29.8 | Very low | 33.1 | Very low | 233 Ų | 233 | 139.4 Ų | 139.4 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | -31 | 159.6 | 149.1 | -80.2 | 179.4 | 171.8 | 167.4 | -4.4 | 115.8 | ||||
| 674 | S | 27.5 | Very low | 34.2 | Very low | 75 Ų | 75 | 140.8 Ų | 140.8 | 52% | 0.524 | 78% | 0.777 | S | S | . | * | cis | -174.8 | -165.7 | -7.1 | 52.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 675 | Y | 26.1 | Very low | 34.4 | Very low | 211 Ų | 211 | 136.7 Ų | 136.7 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | 75.5 | 145.3 | -178.8 | -45.7 | -75.2 | 0 | 0 | 0 | 112.8 | ||||
| 676 | H | 26.2 | Very low | 34.5 | Very low | 186 Ų | 186 | 136.4 Ų | 136.4 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | cis | -146.6 | 177.7 | 3.3 | 19.2 | -99.1 | 0 | 0 | 0 | 109.5 | ||||
| 677 | S | 29.5 | Very low | 34.7 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -137.3 | 154.8 | -172 | -166.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 678 | S | 35.8 | Very low | 35 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | 72.1 | 146.2 | 174.1 | -116.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 679 | T | 42.8 | Very low | 36 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | cis | -170 | 145.7 | -18.1 | 10.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 680 | V | 42.3 | Very low | 35.2 | Very low | 139 Ų | 139 | 138 Ų | 138 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | trans | 66.5 | 151.3 | 149.1 | 178.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 681 | P | 44.6 | Very low | 35.6 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | -121.9 | 148 | -167.8 | 40.1 | -26 | 0 | 0 | 0 | 119.2 | ||||
| 682 | R | 39.6 | Very low | 35.7 | Very low | 245 Ų | 245 | 135.4 Ų | 135.4 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | trans | 47.8 | 124.7 | 144 | -68.1 | -177.9 | 169.5 | -176.6 | -3.8 | 122.5 | ||||
| 683 | K | 36.8 | Very low | 35.1 | Very low | 207 Ų | 207 | 136.7 Ų | 136.7 | 90% | 0.9 | 79% | 0.789 | S | S | * | * | -165.7 | 172.9 | 108.3 | -103.9 | -167.6 | 176.4 | -175.5 | 0 | 111.3 | |||||
| 684 | P | 51.8 | Low | 35.1 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | -115.9 | 159.5 | -129.3 | 43 | -37.7 | 0 | 0 | 0 | 119.8 | |||||
| 685 | S | 30.7 | Very low | 35.2 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 88% | 0.881 | 80% | 0.802 | S | S | * | * | trans | 52.9 | 111.1 | 140.6 | -57 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 686 | G | 27.9 | Very low | 35.9 | Very low | 71 Ų | 71 | 138.6 Ų | 138.6 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | -164.2 | 120.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 687 | S | 31.6 | Very low | 35.9 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 88% | 0.881 | 80% | 0.798 | S | S | * | * | trans | 17.1 | 123.1 | 167.2 | 51.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 688 | S | 32.4 | Very low | 35.8 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -77.2 | -175.3 | 161.5 | -121.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 689 | P | 50.1 | Low | 35.8 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | cis | -111.2 | -161.9 | 11.2 | 45.4 | -34.6 | 0 | 0 | 0 | 112.7 | ||||
| 690 | L | 33.2 | Very low | 36.4 | Very low | 162 Ų | 162 | 139 Ų | 139 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | cis | -150.9 | 170.1 | 4.1 | -163.4 | 124.1 | 0 | 0 | 0 | 110.1 | ||||
| 691 | A | 33.3 | Very low | 35.7 | Very low | 85 Ų | 85 | 139.7 Ų | 139.7 | 70% | 0.702 | 80% | 0.796 | S | S | * | * | trans | -152 | 153.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 692 | G | 30.5 | Very low | 34.9 | Very low | 77 Ų | 77 | 141.7 Ų | 141.7 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -167 | 115.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 693 | L | 33.7 | Very low | 34.4 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | cis | 93.2 | 140.7 | 9.2 | -133.2 | 174 | 0 | 0 | 0 | 115.3 | ||||
| 694 | T | 29.8 | Very low | 34.1 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 104.3 | 161.5 | 163 | 73.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 695 | R | 31.5 | Very low | 33.1 | Very low | 234 Ų | 234 | 140.9 Ų | 140.9 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -142.2 | 167.3 | 174.3 | -73.4 | -179.7 | 71.2 | -167.2 | 4.7 | 108.2 | ||||
| 696 | K | 38.8 | Very low | 33 | Very low | 194 Ų | 194 | 139.3 Ų | 139.3 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | 90.7 | 149.5 | 169.1 | -60.5 | -177 | 176.2 | -175.9 | 0 | 115.6 | ||||
| 697 | T | 28 | Very low | 33.3 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | cis | -97.4 | -133.6 | -0.6 | -26.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 698 | M | 27.6 | Very low | 33.1 | Very low | 166 Ų | 166 | 143.9 Ų | 143.9 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | cis | -142.5 | -165.7 | -11.4 | -155.5 | 117.2 | 178.4 | 0 | 0 | 110 | ||||
| 699 | T | 35.1 | Very low | 33 | Very low | 120 Ų | 120 | 146.9 Ų | 146.9 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | -153.2 | 165.4 | -170.3 | 51 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 700 | P | 54.9 | Low | 31.9 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | cis | -120.1 | -149.2 | -6.6 | 45.9 | -30.9 | 0 | 0 | 0 | 109.4 | ||||
| 701 | E | 28.3 | Very low | 31.7 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | cis | -160.5 | -173.3 | -18.8 | -137.6 | -60.6 | 82.1 | 0 | 0 | 107.8 | ||||
| 702 | M | 28.3 | Very low | 31.3 | Very low | 150 Ų | 150 | 150.9 Ų | 150.9 | 74% | 0.739 | 78% | 0.78 | S | S | * | * | trans | 90 | 77.6 | 151.6 | -59.9 | -141 | 78.1 | 0 | 0 | 119.3 | ||||
| 703 | S | 28.8 | Very low | 31.2 | Very low | 89 Ų | 89 | 153 Ų | 153 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | 73.2 | 136.6 | 115.9 | -101.8 | 0 | 0 | 0 | 0 | 124 | |||||
| 704 | R | 30.1 | Very low | 31 | Very low | 226 Ų | 226 | 151.6 Ų | 151.6 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | 83.9 | 95.5 | 143.2 | -70.1 | 179 | -179.5 | -158.8 | 1.2 | 122.5 | ||||
| 705 | R | 31 | Very low | 30.8 | Very low | 227 Ų | 227 | 152.1 Ų | 152.1 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | 78.4 | 120.8 | 101.4 | -171 | 177 | -157.3 | -155.9 | 8.7 | 121.5 | |||||
| 706 | S | 29 | Very low | 30.8 | Very low | 92 Ų | 92 | 151.1 Ų | 151.1 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | trans | 91.5 | 148.5 | 144.3 | -80.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 707 | Q | 32.8 | Very low | 30.6 | Very low | 174 Ų | 174 | 146 Ų | 146 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | trans | 67.8 | 119.4 | 156.8 | -73.2 | 170.1 | 0.7 | 0 | 0 | 116.6 | ||||
| 708 | T | 28.4 | Very low | 30.9 | Very low | 120 Ų | 120 | 148.6 Ų | 148.6 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | cis | 96.7 | 139.9 | 47.1 | 56.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 709 | L | 30.5 | Very low | 31 | Very low | 177 Ų | 177 | 146.7 Ų | 146.7 | 93% | 0.927 | 75% | 0.746 | S | S | * | * | trans | 88 | 123.5 | 169 | -52.7 | 175.7 | 0 | 0 | 0 | 119 | ||||
| 710 | G | 25.7 | Very low | 30.7 | Very low | 71 Ų | 71 | 145.5 Ų | 145.5 | 73% | 0.732 | 74% | 0.743 | S | S | * | * | 117.8 | 115.2 | 108 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 711 | R | 29.9 | Very low | 29.3 | Very low | 237 Ų | 237 | 145 Ų | 145 | 89% | 0.894 | 74% | 0.743 | S | S | * | * | trans | 64.5 | 170.1 | 147.3 | -74.7 | -172.1 | 166.6 | -122.8 | -1.1 | 118.6 | ||||
| 712 | H | 25.5 | Very low | 30.5 | Very low | 137 Ų | 137 | 142.9 Ų | 142.9 | 63% | 0.634 | 74% | 0.742 | S | S | * | * | cis | -178.5 | 167.7 | -35 | -165.6 | -70.2 | 0 | 0 | 0 | 107.4 | ||||
| 713 | V | 27.3 | Very low | 30.6 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | 78.4 | 154.1 | 166.3 | -168.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 714 | D | 28.9 | Very low | 30.7 | Very low | 121 Ų | 121 | 146 Ų | 146 | 65% | 0.647 | 76% | 0.757 | S | S | * | * | -170.2 | 174.6 | -54.7 | -87.5 | -54.6 | 0 | 0 | 0 | 108.9 | |||||
| 715 | M | 26.6 | Very low | 30.8 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | trans | 78.3 | 122.3 | 154.1 | -63.3 | -57 | -178.1 | 0 | 0 | 124.2 | ||||
| 716 | R | 32 | Very low | 30.8 | Very low | 213 Ų | 213 | 134.9 Ų | 134.9 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | 63.5 | 167.3 | 125 | -66 | -179.9 | -169.6 | -161.9 | 1.4 | 122.5 | |||||
| 717 | S | 32.8 | Very low | 30.9 | Very low | 86 Ų | 86 | 137.5 Ų | 137.5 | 60% | 0.601 | 76% | 0.756 | S | S | * | * | 175 | 146 | -54 | 55.8 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 718 | Q | 34.8 | Very low | 30.9 | Very low | 178 Ų | 178 | 136.9 Ų | 136.9 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | 70.6 | 158.3 | 163.5 | -65.7 | -169.5 | -94.7 | 0 | 0 | 118.3 | ||||
| 719 | D | 29.3 | Very low | 31.2 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 67% | 0.674 | 75% | 0.751 | S | S | * | * | cis | -145.7 | -142.5 | -6 | -143.2 | 91.7 | 0 | 0 | 0 | 115.6 | ||||
| 720 | S | 29.7 | Very low | 31.2 | Very low | 95 Ų | 95 | 133.6 Ų | 133.6 | 66% | 0.664 | 74% | 0.735 | S | S | * | * | trans | -156.5 | -167.3 | -157 | 68.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 721 | S | 26 | Very low | 31.3 | Very low | 112 Ų | 112 | 142 Ų | 142 | 78% | 0.783 | 74% | 0.744 | S | S | * | * | trans | 81.5 | 171.7 | 173.5 | 85.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 722 | P | 52.2 | Low | 31.2 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 71% | 0.708 | 73% | 0.734 | S | S | * | * | cis | -141.8 | 171.8 | -7.2 | 40.1 | -20.1 | 0 | 0 | 0 | 119.6 | ||||
| 723 | H | 30.5 | Very low | 32.2 | Very low | 185 Ų | 185 | 133.1 Ų | 133.1 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | trans | 48.1 | 112.6 | 146.5 | -70 | -59.8 | 0 | 0 | 0 | 129.2 | ||||
| 724 | S | 31.5 | Very low | 32.5 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | 73.3 | 117.7 | 108.1 | -155.8 | 0 | 0 | 0 | 0 | 127.2 | |||||
| 725 | S | 31.9 | Very low | 32.5 | Very low | 114 Ų | 114 | 140.9 Ų | 140.9 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | -176 | 176.8 | 158.8 | 56 | 0 | 0 | 0 | 0 | 112 | ||||
| 726 | S | 32 | Very low | 32.5 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | cis | -165.4 | 156.4 | -43.2 | -80.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 727 | D | 31.1 | Very low | 32.2 | Very low | 146 Ų | 146 | 134.6 Ų | 134.6 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | trans | 37.3 | 131.2 | 158.7 | -68 | -58.1 | 0 | 0 | 0 | 129 | ||||
| 728 | E | 33.1 | Very low | 32 | Very low | 162 Ų | 162 | 134.4 Ų | 134.4 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | trans | 36.4 | 151.8 | 136.9 | -64.3 | -142.1 | 127.7 | 0 | 0 | 124.5 | ||||
| 729 | L | 34.5 | Very low | 31.6 | Very low | 131 Ų | 131 | 134 Ų | 134 | 69% | 0.686 | 77% | 0.769 | S | S | * | * | cis | -169.3 | 177.9 | 2.3 | -123.6 | -179.3 | 0 | 0 | 0 | 114.3 | ||||
| 730 | V | 29.4 | Very low | 31.6 | Very low | 97 Ų | 97 | 135.7 Ų | 135.7 | 59% | 0.588 | 77% | 0.77 | S | S | * | * | trans | 97 | 120.5 | 150.8 | -169.5 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 731 | R | 29.3 | Very low | 31.5 | Very low | 246 Ų | 246 | 140.4 Ų | 140.4 | 93% | 0.928 | 77% | 0.773 | S | S | * | * | trans | 74.4 | 150.5 | 149.6 | -78 | 165.5 | -157.7 | 167.6 | 6.8 | 125 | ||||
| 732 | G | 27.4 | Very low | 31.6 | Very low | 66 Ų | 66 | 139.2 Ų | 139.2 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | trans | -165.9 | 173.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 733 | P | 46.7 | Very low | 30.5 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | trans | -152.3 | 132.4 | 153.3 | 36.2 | -16.7 | 0 | 0 | 0 | 119.7 | ||||
| 734 | K | 32.9 | Very low | 30.6 | Very low | 200 Ų | 200 | 140.7 Ų | 140.7 | 87% | 0.87 | 76% | 0.759 | S | S | * | * | 52.9 | 146.2 | 129.1 | -62 | -177.7 | 178.8 | 176.9 | 0 | 125.2 | |||||
| 735 | K | 28.8 | Very low | 31.2 | Very low | 205 Ų | 205 | 140.6 Ų | 140.6 | 89% | 0.891 | 76% | 0.756 | S | S | * | * | trans | 105.8 | 172.5 | 142.8 | -92.2 | -178.6 | 175.8 | -172.2 | 0 | 120.4 | ||||
| 736 | S | 26.2 | Very low | 31 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | trans | -157.9 | 177.8 | -134.6 | 55.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 737 | S | 26.6 | Very low | 30.8 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | 86.8 | 155.9 | 166.9 | 78.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 738 | A | 27.1 | Very low | 30.6 | Very low | 82 Ų | 82 | 137.2 Ų | 137.2 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | cis | -174.5 | 173.5 | -27.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 739 | L | 27.2 | Very low | 30.5 | Very low | 170 Ų | 170 | 138.5 Ų | 138.5 | 89% | 0.89 | 75% | 0.753 | S | S | * | * | trans | 72.5 | 146.8 | 164.8 | -49.5 | 177.7 | 0 | 0 | 0 | 117.9 | ||||
| 740 | K | 28.5 | Very low | 30.2 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 70% | 0.704 | 76% | 0.757 | S | S | * | * | cis | -134.7 | -125 | -21.1 | -155.4 | -167.5 | 168.6 | -162.6 | 0 | 110.6 | D742 | K740-D742 WeakPolarHBondContact CE-OD1 3.18Å; K740-D742 IonicContact NZ-OD1 2.65Å; K740-D742 PolarHBondContact NZ-OD1 2.83Å; K740-D742 IonicContact NZ-OD2 2.76Å; K740-D742 PolarHBondContact NZ-OD2 2.81Å | ||
| 741 | R | 29.5 | Very low | 31.1 | Very low | 193 Ų | 193 | 138.4 Ų | 138.4 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | cis | -151.8 | 170.3 | 2.6 | -164.2 | -85.7 | -140.4 | -131.9 | 6.9 | 109.7 | ||||
| 742 | D | 28.1 | Very low | 31.1 | Very low | 88 Ų | 88 | 131.5 Ų | 131.5 | 47% | 0.471 | 75% | 0.754 | S | S | . | * | trans | -100.6 | 162.2 | -168.4 | -30.3 | -79.8 | 0 | 0 | 0 | 117.1 | K740 | K740-D742 WeakPolarHBondContact CE-OD1 3.18Å; K740-D742 IonicContact NZ-OD1 2.65Å; K740-D742 PolarHBondContact NZ-OD1 2.83Å; K740-D742 IonicContact NZ-OD2 2.76Å; K740-D742 PolarHBondContact NZ-OD2 2.81Å | ||
| 743 | I | 27.9 | Very low | 31.3 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | -175.9 | 151.6 | 124.8 | -93.1 | 156 | 0 | 0 | 0 | 111.7 | |||||
| 744 | E | 32 | Very low | 30.7 | Very low | 176 Ų | 176 | 140.3 Ų | 140.3 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -125.7 | -176.8 | -177.9 | -119.4 | -157.2 | 154.1 | 0 | 0 | 110.3 | ||||
| 745 | P | 44.5 | Very low | 31.2 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | cis | -122 | -137.1 | -4.5 | 46.1 | -29 | 0 | 0 | 0 | 110.5 | ||||
| 746 | G | 27.7 | Very low | 31.5 | Very low | 56 Ų | 56 | 135.5 Ų | 135.5 | 58% | 0.577 | 76% | 0.758 | S | S | * | * | cis | 162.8 | 162.4 | -3.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 747 | I | 28.3 | Very low | 32.3 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | 69.2 | 144.4 | 167 | -45.8 | 170.5 | 0 | 0 | 0 | 115.7 | ||||
| 748 | G | 26.2 | Very low | 32.5 | Very low | 64 Ų | 64 | 136.6 Ų | 136.6 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | cis | 159.9 | 161.5 | -12.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 749 | Q | 30.9 | Very low | 32.6 | Very low | 190 Ų | 190 | 139.6 Ų | 139.6 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | 89.2 | 161.7 | 163.8 | -50.5 | -162.4 | 38.6 | 0 | 0 | 122.1 | ||||
| 750 | S | 29.7 | Very low | 33.1 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -139.6 | -160.2 | -177.9 | -53.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 751 | P | 48 | Very low | 33.8 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | cis | -142.8 | 179.1 | -3.5 | 44.6 | -25.2 | 0 | 0 | 0 | 117.7 | ||||
| 752 | S | 29.5 | Very low | 34 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | 16.2 | 136.2 | 143.9 | -167.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 753 | T | 32 | Very low | 34.4 | Very low | 143 Ų | 143 | 138.2 Ų | 138.2 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | 179.8 | 175.9 | 113.9 | 29.6 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 754 | R | 34 | Very low | 34.4 | Very low | 229 Ų | 229 | 138 Ų | 138 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -93.8 | 174.5 | 178.7 | -124.8 | -168.8 | 178.5 | -175.9 | 1.4 | 110.8 | ||||
| 755 | P | 41.8 | Very low | 34.2 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | cis | -149.6 | -159.9 | 47.7 | 41.6 | -18 | 0 | 0 | 0 | 116.8 | ||||
| 756 | K | 35.2 | Very low | 33.3 | Very low | 188 Ų | 188 | 138.5 Ų | 138.5 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | trans | -117.2 | 164.1 | 164.3 | -62.5 | -175 | 177 | -172.7 | 0 | 109.1 | ||||
| 757 | P | 42.8 | Very low | 33.3 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | -148.5 | -156 | 100.6 | 40.4 | -22.7 | 0 | 0 | 0 | 114.6 | |||||
| 758 | S | 31.7 | Very low | 33.2 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -129.4 | 168.1 | -168.4 | 53.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 759 | V | 29.4 | Very low | 33.1 | Very low | 146 Ų | 146 | 148 Ų | 148 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | trans | 179.7 | 169.5 | 136.5 | 143.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 760 | R | 37.9 | Very low | 33.6 | Very low | 185 Ų | 185 | 143 Ų | 143 | 70% | 0.698 | 79% | 0.789 | S | S | * | * | trans | -132.7 | 154.4 | -170.1 | 162 | -172.5 | 160.9 | -162.6 | -9.7 | 110.6 | ||||
| 761 | P | 42.2 | Very low | 33.4 | Very low | 127 Ų | 127 | 146.5 Ų | 146.5 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -128.9 | -179.8 | 133.6 | 11.9 | 10 | 0 | 0 | 0 | 113.5 | ||||
| 762 | K | 34.3 | Very low | 32.8 | Very low | 151 Ų | 151 | 146 Ų | 146 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | trans | -139.8 | 137.9 | 177.1 | -116.4 | -154.6 | -174.5 | -167.8 | 0 | 112.1 | ||||
| 763 | P | 36.8 | Very low | 33.7 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -87.7 | -179.5 | 153 | -10.4 | 29.4 | 0 | 0 | 0 | 113 | ||||
| 764 | L | 27.6 | Very low | 33.6 | Very low | 143 Ų | 143 | 146.3 Ų | 146.3 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | trans | -151.5 | 162.2 | 175.9 | -65.7 | 175.8 | 0 | 0 | 0 | 111.6 | ||||
| 765 | L | 27.5 | Very low | 33.5 | Very low | 162 Ų | 162 | 146.1 Ų | 146.1 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | 70 | 154.8 | 166.2 | -66.6 | 152.9 | 0 | 0 | 0 | 115.7 | ||||
| 766 | T | 26.7 | Very low | 32.8 | Very low | 143 Ų | 143 | 148.9 Ų | 148.9 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | cis | -125.2 | -159.8 | 23.3 | 55.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 767 | K | 27.6 | Very low | 32.7 | Very low | 196 Ų | 196 | 147 Ų | 147 | 85% | 0.852 | 79% | 0.786 | S | S | * | * | trans | -151.3 | 131.9 | -161.1 | 167.1 | -162.4 | 176.5 | -173.3 | 0 | 110.9 | ||||
| 768 | S | 26.4 | Very low | 31.9 | Very low | 118 Ų | 118 | 147.1 Ų | 147.1 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -169.4 | 112.4 | 159.4 | 52.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 769 | E | 22.4 | Very low | 31.8 | Very low | 179 Ų | 179 | 145.9 Ų | 145.9 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | -76.2 | 179.1 | 138.3 | -116.9 | -171.6 | 105.9 | 0 | 0 | 108.8 | ||||
| 770 | P | 42 | Very low | 32 | Very low | 87 Ų | 87 | 144.7 Ų | 144.7 | 57% | 0.565 | 77% | 0.767 | S | S | * | * | cis | -141.1 | -172.5 | 8.4 | 39.3 | -18.2 | 0 | 0 | 0 | 116.8 | ||||
| 771 | Q | 26.6 | Very low | 31.9 | Very low | 182 Ų | 182 | 142.4 Ų | 142.4 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | 72.7 | 135.3 | 142.1 | -86.8 | 167.4 | -38.2 | 0 | 0 | 123 | ||||
| 772 | S | 33.5 | Very low | 31.2 | Very low | 106 Ų | 106 | 147.1 Ų | 147.1 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | -89.6 | 178.8 | 156.3 | 60.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 773 | P | 49.4 | Very low | 31.2 | Very low | 110 Ų | 110 | 149.3 Ų | 149.3 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | -157.1 | -178.8 | 86.2 | 44.3 | -25.2 | 0 | 0 | 0 | 117.1 | |||||
| 774 | E | 30.2 | Very low | 31 | Very low | 141 Ų | 141 | 151.8 Ų | 151.8 | 66% | 0.659 | 78% | 0.775 | S | S | * | * | trans | 59.8 | 114.8 | 143.8 | -131.2 | -170.5 | 113.2 | 0 | 0 | 121.5 | ||||
| 775 | R | 31 | Very low | 31.2 | Very low | 224 Ų | 224 | 150 Ų | 150 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | -180 | 163.2 | 95.4 | -95.9 | -174.6 | -179.8 | -154.8 | -10 | 114.9 | |||||
| 776 | M | 28.2 | Very low | 31.4 | Very low | 176 Ų | 176 | 152.1 Ų | 152.1 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | trans | -113.3 | 132.7 | -178.1 | -78.7 | -164.1 | -61.3 | 0 | 0 | 113.4 | ||||
| 777 | D | 32.7 | Very low | 32.3 | Very low | 149 Ų | 149 | 151.5 Ų | 151.5 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | 69.6 | 172.6 | 125.5 | -157.6 | 25.4 | 0 | 0 | 0 | 121.5 | |||||
| 778 | I | 26 | Very low | 32.4 | Very low | 137 Ų | 137 | 146.8 Ų | 146.8 | 70% | 0.703 | 76% | 0.758 | S | S | * | * | trans | 80.1 | 122.7 | 160.9 | -3 | -179.1 | 0 | 0 | 0 | 121.5 | ||||
| 779 | S | 28.8 | Very low | 32.5 | Very low | 81 Ų | 81 | 146 Ų | 146 | 57% | 0.566 | 75% | 0.753 | S | S | * | * | trans | 81.9 | 108.2 | 137.5 | 63.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 780 | S | 34 | Very low | 33 | Very low | 122 Ų | 122 | 144.4 Ų | 144.4 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | -146.3 | 82.4 | 129.3 | -76 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 781 | L | 35.2 | Very low | 32.4 | Very low | 136 Ų | 136 | 149.3 Ų | 149.3 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | 47.3 | 95.7 | 87.3 | -64.7 | 170.6 | 0 | 0 | 0 | 111.8 | |||||
| 782 | R | 28.8 | Very low | 32.5 | Very low | 226 Ų | 226 | 150 Ų | 150 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | 81.8 | 135.3 | 66.4 | -85.1 | -170.8 | 158.9 | 175.3 | -2.9 | 115 | |||||
| 783 | R | 34.2 | Very low | 32.4 | Very low | 197 Ų | 197 | 152.1 Ų | 152.1 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | 77.8 | 156.9 | 172.6 | -53.8 | 165.8 | 154.3 | -108.2 | 4.2 | 113.6 | ||||
| 784 | Q | 33.1 | Very low | 31.2 | Very low | 173 Ų | 173 | 152.4 Ų | 152.4 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | cis | -139.7 | 167.7 | 17 | -63.2 | 176.3 | 20.8 | 0 | 0 | 111.4 | ||||
| 785 | L | 29.9 | Very low | 31.3 | Very low | 106 Ų | 106 | 153.7 Ų | 153.7 | 56% | 0.555 | 76% | 0.757 | S | S | * | * | cis | -164.6 | 150.5 | -26.9 | -100.9 | 170.1 | 0 | 0 | 0 | 110.7 | ||||
| 786 | R | 32.1 | Very low | 31.1 | Very low | 205 Ų | 205 | 152.3 Ų | 152.3 | 77% | 0.774 | 76% | 0.757 | S | S | * | * | trans | -0.5 | 158.7 | 146.2 | -101.2 | -171.1 | -67.7 | 155.1 | -5.2 | 121.8 | ||||
| 787 | P | 47.2 | Very low | 31.9 | Very low | 130 Ų | 130 | 149.1 Ų | 149.1 | 84% | 0.844 | 75% | 0.75 | S | S | * | * | -146.5 | 164.6 | 60.4 | 39.5 | -19.7 | 0 | 0 | 0 | 120 | |||||
| 788 | A | 28.9 | Very low | 31.7 | Very low | 98 Ų | 98 | 147.5 Ų | 147.5 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | trans | -163.3 | 167.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 789 | S | 28.5 | Very low | 31.9 | Very low | 101 Ų | 101 | 152.7 Ų | 152.7 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | -166.4 | 171.5 | -174.7 | 53.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 790 | Q | 33.5 | Very low | 31.9 | Very low | 145 Ų | 145 | 152.6 Ų | 152.6 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | cis | -160.7 | -153 | -16.8 | -103.6 | 159.7 | -133.6 | 0 | 0 | 107.5 | ||||
| 791 | Y | 28 | Very low | 31.8 | Very low | 190 Ų | 190 | 154.2 Ų | 154.2 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | cis | -160.3 | 138.3 | 13.8 | -115.2 | -69.5 | 0 | 0 | 0 | 113.8 | ||||
| 792 | R | 28.6 | Very low | 31.6 | Very low | 196 Ų | 196 | 155.1 Ų | 155.1 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | trans | 11.4 | 129.9 | 151.8 | -68.4 | -176.1 | 164.5 | -147.1 | -4.1 | 127 | ||||
| 793 | H | 31.2 | Very low | 32.1 | Very low | 151 Ų | 151 | 150.2 Ų | 150.2 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | 65.2 | 155.1 | 126.5 | -60.2 | -43.3 | 0 | 0 | 0 | 121.5 | |||||
| 794 | T | 26.1 | Very low | 32.3 | Very low | 117 Ų | 117 | 148.5 Ų | 148.5 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | cis | -165.1 | 161.1 | 4.5 | 3.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 795 | L | 31.7 | Very low | 32.3 | Very low | 167 Ų | 167 | 146 Ų | 146 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | 82.6 | 162.7 | 149.2 | -70.9 | 165.5 | 0 | 0 | 0 | 123.8 | ||||
| 796 | K | 26.9 | Very low | 32.3 | Very low | 195 Ų | 195 | 144.9 Ų | 144.9 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | -113.3 | -158.1 | 179.6 | -50.3 | -178.3 | 175.7 | -177.2 | 0 | 110.2 | ||||
| 797 | P | 43.9 | Very low | 32.3 | Very low | 110 Ų | 110 | 140.4 Ų | 140.4 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | cis | -142.2 | -171.4 | -13 | 29.7 | -3.6 | 0 | 0 | 0 | 117.2 | ||||
| 798 | T | 29 | Very low | 31.4 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | 119.1 | 128.1 | 134 | -38.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 799 | R | 30.1 | Very low | 31.4 | Very low | 247 Ų | 247 | 142.7 Ų | 142.7 | 93% | 0.932 | 77% | 0.771 | S | S | * | * | trans | 15.2 | 151.6 | 153.9 | -57.9 | 171.2 | 170 | 170.4 | -5.7 | 124.5 | ||||
| 800 | G | 29.9 | Very low | 31.5 | Very low | 79 Ų | 79 | 142.8 Ų | 142.8 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | trans | 170.3 | 145.3 | 149.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 801 | D | 32 | Very low | 31.2 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | -142.6 | 179.1 | -175.7 | -141.9 | -28.9 | 0 | 0 | 0 | 112 | ||||
| 802 | D | 29.7 | Very low | 31.2 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | trans | 115.4 | 158 | 172.9 | -62.3 | -26 | 0 | 0 | 0 | 116.5 | ||||
| 803 | S | 40 | Very low | 31 | Very low | 124 Ų | 124 | 135 Ų | 135 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | -161.4 | 176 | -166.7 | -79.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 804 | E | 37.9 | Very low | 30.8 | Very low | 161 Ų | 161 | 133 Ų | 133 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | cis | -125.5 | -95.9 | 14.4 | -178.5 | -152.2 | 104.3 | 0 | 0 | 113.5 | A806 | E804-A806 PolarHBondContact OE1-N 3.09Š| ||
| 805 | T | 33.6 | Very low | 30.7 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | cis | -154.8 | 133.7 | 1.2 | -50.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 806 | A | 29.8 | Very low | 30.3 | Very low | 83 Ų | 83 | 133.5 Ų | 133.5 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | trans | 72.4 | 163.3 | 167 | 0 | 0 | 0 | 0 | 0 | 119.5 | E804 | E804-A806 PolarHBondContact OE1-N 3.09Š| ||
| 807 | S | 30.9 | Very low | 30.4 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -147.5 | 140.5 | -161.7 | -27.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 808 | V | 30 | Very low | 29.5 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | trans | -162.7 | 135.9 | 158.3 | -114.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 809 | I | 28.7 | Very low | 29.6 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | trans | 56.3 | 156 | 158.3 | 32.5 | 167.1 | 0 | 0 | 0 | 124.6 | ||||
| 810 | S | 29.1 | Very low | 29.5 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -83.7 | 172.8 | -176.4 | -43.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 811 | S | 28.4 | Very low | 29.6 | Very low | 98 Ų | 98 | 128.9 Ų | 128.9 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | cis | -155.1 | -176.8 | 26.8 | -53.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 812 | E | 27.2 | Very low | 29.5 | Very low | 193 Ų | 193 | 128 Ų | 128 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | trans | 58.6 | 127.3 | 154.2 | 72.1 | -166.6 | 111.6 | 0 | 0 | 121.6 | ||||
| 813 | G | 25.4 | Very low | 29.6 | Very low | 75 Ų | 75 | 127.5 Ų | 127.5 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | 159.2 | 50 | 170 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 814 | S | 27.2 | Very low | 29 | Very low | 111 Ų | 111 | 126.1 Ų | 126.1 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | 67.2 | 173.4 | 153 | -154.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 815 | M | 22.9 | Very low | 28.8 | Very low | 175 Ų | 175 | 123.2 Ų | 123.2 | 86% | 0.862 | 75% | 0.752 | S | S | * | * | trans | 73 | 154.2 | 166.5 | -63.8 | -59.8 | 174.2 | 0 | 0 | 121.6 | ||||
| 816 | C | 24.7 | Very low | 28.8 | Very low | 118 Ų | 118 | 122.4 Ų | 122.4 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | -92.1 | 140.2 | 174.9 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 817 | S | 27.1 | Very low | 28.7 | Very low | 108 Ų | 108 | 129.8 Ų | 129.8 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | 144.8 | 121.3 | 132.4 | -67.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 818 | R | 26.5 | Very low | 28.9 | Very low | 232 Ų | 232 | 128.9 Ų | 128.9 | 88% | 0.875 | 75% | 0.752 | S | S | * | * | trans | 58.8 | 106.7 | 139.5 | -60.4 | 179.8 | 67.3 | 167.7 | 1.5 | 121.3 | ||||
| 819 | S | 31 | Very low | 28.9 | Very low | 101 Ų | 101 | 131.9 Ų | 131.9 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | 84.5 | 159.7 | 120.4 | -151.6 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 820 | T | 28.3 | Very low | 28.9 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | trans | 65.7 | 132.6 | 173.8 | 53.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 821 | S | 31.9 | Very low | 28.9 | Very low | 89 Ų | 89 | 129.1 Ų | 129.1 | 62% | 0.622 | 76% | 0.76 | S | S | * | * | cis | 72.3 | 149.1 | 27.7 | 103.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 822 | D | 29.8 | Very low | 28.9 | Very low | 136 Ų | 136 | 136.4 Ų | 136.4 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | cis | -156.9 | 170.8 | 4.9 | -87.4 | -48.1 | 0 | 0 | 0 | 107.5 | ||||
| 823 | L | 31.1 | Very low | 28.9 | Very low | 146 Ų | 146 | 131 Ų | 131 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | cis | -164 | 166.7 | -4.2 | -122.8 | 172.1 | 0 | 0 | 0 | 111 | ||||
| 824 | S | 28.5 | Very low | 28.8 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | trans | 79.1 | 140.3 | 151.1 | 95.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 825 | S | 32.7 | Very low | 29 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | 96.7 | 154.7 | 61.9 | 94.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 826 | V | 33 | Very low | 29.3 | Very low | 104 Ų | 104 | 133 Ų | 133 | 63% | 0.63 | 76% | 0.764 | S | S | * | * | cis | -145.9 | 151.7 | 41.9 | -143.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 827 | Y | 28.6 | Very low | 29.8 | Very low | 238 Ų | 238 | 133.2 Ų | 133.2 | 93% | 0.933 | 76% | 0.761 | S | S | * | * | -166.4 | 132.5 | 115.6 | -115.9 | -77.5 | 0 | 0 | 0 | 110.4 | |||||
| 828 | S | 34.2 | Very low | 30.4 | Very low | 92 Ų | 92 | 136.4 Ų | 136.4 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | trans | -135.9 | 133.8 | -160.7 | -54 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 829 | K | 30.1 | Very low | 31.2 | Very low | 200 Ų | 200 | 126.6 Ų | 126.6 | 87% | 0.87 | 74% | 0.735 | S | S | * | * | trans | -178.2 | 98.8 | 131.7 | -104 | 170.7 | -178.7 | 178.2 | 0 | 114 | ||||
| 830 | G | 28.2 | Very low | 32.2 | Very low | 86 Ų | 86 | 125.4 Ų | 125.4 | 89% | 0.887 | 73% | 0.725 | S | S | * | * | trans | -124.7 | 111.5 | 140.2 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 831 | S | 30 | Very low | 34.1 | Very low | 97 Ų | 97 | 123.6 Ų | 123.6 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | trans | -137 | 110.9 | -156.4 | -175.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 832 | R | 28.5 | Very low | 36.3 | Very low | 251 Ų | 251 | 121.7 Ų | 121.7 | 95% | 0.947 | 69% | 0.692 | S | S | * | * | trans | 159.4 | 96.1 | 160.6 | -95 | 172.2 | 178.3 | -170.5 | -1.7 | 106 | ||||
| 833 | G | 27.2 | Very low | 39 | Very low | 79 Ų | 79 | 116.2 Ų | 116.2 | 81% | 0.814 | 66% | 0.662 | S | S | * | * | cis | 95.4 | 61.3 | 10.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 834 | D | 24.1 | Very low | 41.6 | Very low | 153 Ų | 153 | 113.6 Ų | 113.6 | 82% | 0.818 | 64% | 0.642 | S | S | * | * | trans | -132 | 151.5 | 136.9 | -159 | -3.4 | 0 | 0 | 0 | 107.4 | ||||
| 835 | S | 30.9 | Very low | 44.4 | Very low | 87 Ų | 87 | 109.1 Ų | 109.1 | 61% | 0.608 | 61% | 0.61 | S | S | * | * | trans | -159.4 | 107.5 | -175.8 | 56.1 | 0 | 0 | 0 | 0 | 109.2 | V837 | S835-V837 VanDerWaalsContact C-N 3.26Å; S835-V837 PolarHBondContact O-N 3.33Å | ||
| 836 | D | 28.3 | Very low | 46.9 | Very low | 165 Ų | 165 | 107.6 Ų | 107.6 | 88% | 0.882 | 60% | 0.597 | S | S | * | * | trans | -66.5 | 88.8 | 171.9 | -84.9 | -49.1 | 0 | 0 | 0 | 109.9 | E838 | D836-E838 PolarHBondContact O-N 2.81Å; D836-E838 VanDerWaalsContact O-N 3.1Å | ||
| 837 | V | 36.8 | Very low | 49.1 | Very low | 122 Ų | 122 | 107.2 Ų | 107.2 | 74% | 0.739 | 59% | 0.591 | S | S | * | * | trans | -71.5 | 97.4 | 166.4 | 176.7 | 0 | 0 | 0 | 0 | 106.8 | S835 G839 | S835-V837 VanDerWaalsContact C-N 3.26Å; S835-V837 PolarHBondContact O-N 3.33Å; V837-G839 PolarHBondContact O-N 2.58Å | ||
| 838 | E | 38.9 | Very low | 51.9 | Low | 174 Ų | 174 | 100.4 Ų | 100.4 | 81% | 0.813 | 57% | 0.574 | S | S | * | * | trans | -62.3 | 81.8 | 156.2 | -75.2 | -163.3 | 131.8 | 0 | 0 | 108.3 | D836 | D836-E838 PolarHBondContact O-N 2.81Å; D836-E838 VanDerWaalsContact O-N 3.1Å | ||
| 839 | G | 43.9 | Very low | 54.3 | Low | 26 Ų | 26 | 97 Ų | 97 | 27% | 0.268 | 55% | 0.547 | S | S | . | . | trans | -62 | 170.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V837 I841 | V837-G839 PolarHBondContact O-N 2.58Å; G839-I841 PolarHBondContact O-N 2.74Å; G839-I841 VanDerWaalsContact O-N 3.07Å | ||
| 840 | P | 51.1 | Low | 57 | Low | 77 Ų | 77 | 95 Ų | 95 | 50% | 0.5 | 54% | 0.539 | S | S | . | . | trans | -47.5 | 121.7 | -177.5 | 18.7 | -32.3 | 0 | 0 | 0 | 110.6 | L842 E866 | P840-L842 PolarHBondContact O-N 3.44Å; P840-E866 HydrophobicContact CB-CG 3.82Å | ||
| 841 | I | 67.4 | Low | 59.8 | Low | 80 Ų | 80 | 94.4 Ų | 94.4 | 41% | 0.41 | 51% | 0.512 | S | S | . | . | trans | -71 | 99.1 | -174.7 | -51 | 177.4 | 0 | 0 | 0 | 106.7 | G839 Y843 | G839-I841 PolarHBondContact O-N 2.74Å; G839-I841 VanDerWaalsContact O-N 3.07Å; I841-Y843 HydrophobicContact CB-CE2 3.98Å; I841-Y843 HydrophobicContact CG2-CD2 4.13Å; I841-Y843 HydrophobicContact CG2-CE2 3.41Å; I841-Y843 VanDerWaalsContact CG2-CE2 3.41Å; I841-Y843 WeakPolarHBondContact O-CD2 3.46Å | ||
| 842 | L | 79.1 | Confident | 62.3 | Low | 48 Ų | 48 | 95.9 Ų | 95.9 | 25% | 0.251 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 123.7 | -179.3 | -74.9 | 141.9 | 0 | 0 | 0 | 109.1 | P840 E864 V895 | P840-L842 PolarHBondContact O-N 3.44Å; L842-E864 HydrophobicContact CD2-CB 3.93Å; L842-V895 WeakPolarHBondContact O-CB 3.31Å; L842-V895 WeakPolarHBondContact O-CG2 3.37Å; L842-V895 PolarHBondContact O-N 3.44Å |
| 843 | Y | 85.4 | Confident | 64.6 | Low | 22 Ų | 22 | 89.6 Ų | 89.6 | 9% | 0.086 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 131.3 | 172 | -73.8 | -102.2 | 0 | 0 | 0 | 108.5 | I841 E864 V865 V867 K870 W876 L892 E893 P894 | I841-Y843 HydrophobicContact CB-CE2 3.98Å; I841-Y843 HydrophobicContact CG2-CD2 4.13Å; I841-Y843 HydrophobicContact CG2-CE2 3.41Å; I841-Y843 VanDerWaalsContact CG2-CE2 3.41Å; I841-Y843 WeakPolarHBondContact O-CD2 3.46Å; Y843-E864 CarbonylContact O-C 3.58Å; Y843-E864 WeakPolarHBondContact O-CA 3.31Å; Y843-V865 PolarHBondContact N-O 3.11Å; Y843-V865 PolarHBondContact O-N 2.93Å; Y843-V867 HydrophobicContact CD2-CB 3.92Å; Y843-V867 HydrophobicContact CD2-CG2 3.25Å; Y843-V867 HydrophobicContact CE2-CB 4.1Å; Y843-V867 HydrophobicContact CE2-CG2 3.83Å; Y843-V867 HydrophobicContact CG-CG2 3.75Å; Y843-K870 PolarHBondContact OH-NZ 3.37Å; Y843-W876 AromaticContact CD1-CZ3 3.86Å; Y843-W876 HydrophobicContact CD1-CZ3 3.86Å; Y843-W876 HydrophobicContact CE1-CH2 4.03Å; Y843-W876 AromaticContact CE1-CZ3 3.66Å; Y843-W876 HydrophobicContact CE1-CZ3 3.66Å; Y843-W876 HydrophobicContact CE2-CZ3 4.5Å; Y843-W876 HydrophobicContact CG-CZ3 4.41Å; Y843-L892 HydrophobicContact CD1-CB 4.28Å; Y843-E893 CarbonylContact C-O 3.5Å; Y843-E893 WeakPolarHBondContact CA-O 3.44Å; Y843-E893 VanDerWaalsContact CD1-C 3.44Å; Y843-P894 HydrophobicContact CD1-CB 4.08Å; Y843-P894 HydrophobicContact CE1-CB 3.65Å; Y843-P894 HydrophobicContact CE1-CG 4.2Å |
| 844 | R | 86.6 | Confident | 66.9 | Low | 91 Ų | 91 | 93.8 Ų | 93.8 | 34% | 0.343 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 130.8 | 171.5 | 178.7 | -177.6 | 59.8 | -113.8 | -8.5 | 108.5 | V846 V863 E893 V895 | R844-V846 PolarHBondContact O-N 3.32Å; R844-V863 CarbonylContact C-O 3.46Å; R844-V863 VanDerWaalsContact CA-O 3.29Å; R844-V863 WeakPolarHBondContact CA-O 3.4Å; R844-E893 IonicContact CZ-OE2 2.71Å; R844-E893 PolarHBondContact N-O 3.24Å; R844-E893 IonicContact NE-OE2 3.67Å; R844-E893 IonicContact NH2-OE2 2.74Å; R844-E893 PolarHBondContact NH2-OE2 3.15Å; R844-E893 PolarHBondContact O-N 3.27Å; R844-V895 HydrophobicContact CB-CG2 3.6Å |
| 845 | S | 87.9 | Confident | 69.6 | Low | 0 Ų | 0 | 89.6 Ų | 89.6 | 0% | 0 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 123.4 | 170.1 | 60.6 | 0 | 0 | 0 | 0 | 110.2 | F859 P860 G862 V863 Y891 | S845-F859 VanDerWaalsContact CB-CE2 3.46Å; S845-P860 PolarHBondContact OG-O 2.74Å; S845-G862 WeakPolarHBondContact O-CA 3.4Å; S845-G862 PolarHBondContact O-N 2.93Å; S845-G862 PolarHBondContact OG-N 3.4Å; S845-V863 PolarHBondContact N-O 3.22Å; S845-V863 PolarHBondContact OG-N 3.2Å; S845-V863 VanDerWaalsContact OG-N 3.09Å; S845-V863 PolarHBondContact OG-O 2.84Å; S845-Y891 CarbonylContact C-O 3.55Å; S845-Y891 WeakPolarHBondContact CA-O 3.35Å |
| 846 | V | 83.9 | Confident | 72.4 | Confident | 68 Ų | 68 | 85.9 Ų | 85.9 | 41% | 0.412 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -69.9 | -41.2 | 176.9 | -171.5 | 0 | 0 | 0 | 0 | 110.5 | R844 Y891 E893 | R844-V846 PolarHBondContact O-N 3.32Å; V846-Y891 PolarHBondContact N-O 2.68Å; V846-E893 HydrophobicContact CG2-CB 3.97Å; V846-E893 HydrophobicContact CG2-CG 3.49Å; V846-E893 VanDerWaalsContact CG2-CG 3.49Å |
| 847 | D | 79.9 | Confident | 75.2 | Confident | 96 Ų | 96 | 78.1 Ų | 78.1 | 51% | 0.513 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -137.7 | 168.3 | -171.5 | -126.6 | -39.4 | 0 | 0 | 0 | 112.2 | Y849 Y891 | D847-Y849 PolarHBondContact O-N 2.93Å; D847-Y891 HydrophobicContact CB-CD1 3.64Å; D847-Y891 HydrophobicContact CB-CE1 3.84Å |
| 848 | V | 88 | Confident | 77.6 | Confident | 94 Ų | 94 | 74 Ų | 74 | 57% | 0.57 | 39% | 0.392 | S | S | * | . | trans | -73.8 | 109.8 | 179.5 | 179 | 0 | 0 | 0 | 0 | 110.1 | A861 | V848-A861 HydrophobicContact CG2-CB 3.93Š| ||
| 849 | Y | 84.7 | Confident | 79.9 | Confident | 20 Ų | 20 | 65.8 Ų | 65.8 | 8% | 0.078 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -101.7 | 139.9 | 171.3 | -177.8 | -111.4 | 0 | 0 | 0 | 111.6 | D847 E856 I857 S858 F859 W875 A887 P888 Y891 | D847-Y849 PolarHBondContact O-N 2.93Å; Y849-E856 PolarHBondContact OH-OE2 3.34Å; Y849-E856 VanDerWaalsContact OH-OE2 3.08Å; Y849-I857 WeakPolarHBondContact CD1-O 3.34Å; Y849-I857 WeakPolarHBondContact CE1-O 3.27Å; Y849-S858 CarbonylContact O-C 3.51Å; Y849-S858 WeakPolarHBondContact O-CA 3.08Å; Y849-F859 HydrophobicContact CD1-CE1 4.21Å; Y849-F859 HydrophobicContact CD1-CZ 4.12Å; Y849-F859 HydrophobicContact CG-CZ 4.34Å; Y849-F859 PolarHBondContact N-O 3.2Å; Y849-F859 PolarHBondContact O-N 2.98Å; Y849-W875 WeakPolarHBondContact OH-CH2 3.29Å; Y849-W875 WeakPolarHBondContact OH-CZ3 3.31Å; Y849-A887 HydrophobicContact CD1-CB 3.92Å; Y849-A887 HydrophobicContact CE1-CB 3.96Å; Y849-P888 HydrophobicContact CD2-CG 4.33Å; Y849-P888 HydrophobicContact CE2-CG 3.83Å; Y849-Y891 AromaticContact CD2-CD2 3.88Å; Y849-Y891 HydrophobicContact CD2-CD2 3.88Å; Y849-Y891 AromaticContact CD2-CE2 3.81Å; Y849-Y891 HydrophobicContact CD2-CE2 3.81Å; Y849-Y891 HydrophobicContact CE2-CE2 4.49Å; Y849-Y891 HydrophobicContact CG-CD2 4.22Å |
| 850 | K | 85.4 | Confident | 81.8 | Confident | 159 Ų | 159 | 67.2 Ų | 67.2 | 69% | 0.691 | 36% | 0.358 | S | S | * | . | trans | -131.8 | 120.1 | -178.8 | -176 | 176.4 | 179.1 | 176.3 | 0 | 111.2 | V852 | K850-V852 PolarHBondContact O-N 3.05Š| ||
| 851 | K | 87.6 | Confident | 83.3 | Confident | 73 Ų | 73 | 65.8 Ų | 65.8 | 32% | 0.317 | 35% | 0.353 | S | S | . | . | trans | -48.1 | 126.9 | 173.7 | 64.2 | -174.5 | -179.7 | -169.8 | 0 | 112.8 | E856 E883 | K851-E856 HydrophobicContact CB-CB 3.64Å; K851-E856 WeakPolarHBondContact CB-O 3.09Å; K851-E856 WeakPolarHBondContact CD-O 3.39Å; K851-E883 IonicContact NZ-OE2 2.94Å; K851-E883 PolarHBondContact NZ-OE2 3.04Å | ||
| 852 | V | 81.8 | Confident | 83.9 | Confident | 128 Ų | 128 | 64.2 Ų | 64.2 | 78% | 0.776 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -98.3 | -29.9 | 175.3 | -173 | 0 | 0 | 0 | 0 | 109.8 | K850 E856 | K850-V852 PolarHBondContact O-N 3.05Å; V852-E856 WeakPolarHBondContact CA-OE2 3.17Å; V852-E856 WeakPolarHBondContact CB-OE2 3.18Å; V852-E856 PolarHBondContact N-OE2 2.93Å |
| 853 | Q | 77.1 | Confident | 84.2 | Confident | 119 Ų | 119 | 63.5 Ų | 63.5 | 56% | 0.556 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -119.1 | 156.5 | 175.4 | -59.8 | 178 | 91.2 | 0 | 0 | 111.5 | S855 E856 | Q853-S855 PolarHBondContact O-N 3.21Å; Q853-E856 HydrophobicContact CB-CG 4.12Å; Q853-E856 WeakPolarHBondContact CG-OE1 3.2Å; Q853-E856 PolarHBondContact N-OE2 3.29Å; Q853-E856 PolarHBondContact NE2-OE1 3.49Å; Q853-E856 WeakPolarHBondContact O-CB 3.5Å; Q853-E856 PolarHBondContact O-N 3.33Å |
| 854 | D | 75.9 | Confident | 84.4 | Confident | 168 Ų | 168 | 67.3 Ų | 67.3 | 90% | 0.898 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -15.9 | -178.5 | -62.6 | -52.9 | 0 | 0 | 0 | 114 | ||
| 855 | S | 81.8 | Confident | 84.5 | Confident | 65 Ų | 65 | 63 Ų | 63 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -8.4 | 172.5 | 52.8 | 0 | 0 | 0 | 0 | 114 | Q853 G885 W886 | Q853-S855 PolarHBondContact O-N 3.21Å; S855-G885 WeakPolarHBondContact O-CA 3.31Å; S855-W886 PolarHBondContact O-N 3.22Å |
| 856 | E | 89.6 | Confident | 84.5 | Confident | 9 Ų | 9 | 65.7 Ų | 65.7 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -94.3 | 162 | 178.7 | -64.3 | 164.3 | -167.2 | 0 | 0 | 110.6 | Y849 K851 V852 Q853 W875 W886 | Y849-E856 PolarHBondContact OH-OE2 3.34Å; Y849-E856 VanDerWaalsContact OH-OE2 3.08Å; K851-E856 HydrophobicContact CB-CB 3.64Å; K851-E856 WeakPolarHBondContact CB-O 3.09Å; K851-E856 WeakPolarHBondContact CD-O 3.39Å; V852-E856 WeakPolarHBondContact CA-OE2 3.17Å; V852-E856 WeakPolarHBondContact CB-OE2 3.18Å; V852-E856 PolarHBondContact N-OE2 2.93Å; Q853-E856 HydrophobicContact CB-CG 4.12Å; Q853-E856 WeakPolarHBondContact CG-OE1 3.2Å; Q853-E856 PolarHBondContact N-OE2 3.29Å; Q853-E856 PolarHBondContact NE2-OE1 3.49Å; Q853-E856 WeakPolarHBondContact O-CB 3.5Å; Q853-E856 PolarHBondContact O-N 3.33Å; E856-W875 HydrophobicContact CG-CH2 4.34Å; E856-W875 HydrophobicContact CG-CZ3 3.86Å; E856-W886 CarbonylContact C-O 3.42Å; E856-W886 WeakPolarHBondContact CA-O 3.41Å; E856-W886 WeakPolarHBondContact CB-O 3.33Å; E856-W886 HydrophobicContact CG-CB 4.36Å |
| 857 | I | 87.2 | Confident | 84.7 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | trans | -117.7 | 138.4 | 177.2 | -170.4 | 171 | 0 | 0 | 0 | 111.5 | Y849 F859 V878 W880 E883 G885 W886 A887 | Y849-I857 WeakPolarHBondContact CD1-O 3.34Å; Y849-I857 WeakPolarHBondContact CE1-O 3.27Å; I857-F859 HydrophobicContact CG2-CD1 4.35Å; I857-F859 HydrophobicContact CG2-CE1 4.32Å; I857-V878 HydrophobicContact CG2-CG2 3.45Å; I857-V878 VanDerWaalsContact CG2-CG2 3.45Å; I857-W880 HydrophobicContact CD1-CB 3.73Å; I857-E883 HydrophobicContact CD1-CB 3.82Å; I857-E883 WeakPolarHBondContact CD1-O 3.35Å; I857-E883 HydrophobicContact CG1-CB 4.23Å; I857-G885 WeakPolarHBondContact CG2-O 3.37Å; I857-W886 PolarHBondContact N-O 2.86Å; I857-A887 HydrophobicContact CG2-CB 4.05Å | ||
| 858 | S | 86.8 | Confident | 85 | Confident | 35 Ų | 35 | 62.2 Ų | 62.2 | 25% | 0.245 | 35% | 0.349 | C | S | . | . | trans | -102.1 | 134.2 | 176.8 | 53.3 | 0 | 0 | 0 | 0 | 111.6 | Y849 W880 | Y849-S858 CarbonylContact O-C 3.51Å; Y849-S858 WeakPolarHBondContact O-CA 3.08Å; S858-W880 WeakPolarHBondContact O-CZ3 3.26Å | ||
| 859 | F | 87.3 | Confident | 84.8 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 1% | 0.013 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -142.2 | 142.7 | 175.2 | 45.8 | -105.9 | 0 | 0 | 0 | 111.4 | S845 Y849 I857 V863 V865 V878 W880 A887 L892 | S845-F859 VanDerWaalsContact CB-CE2 3.46Å; Y849-F859 HydrophobicContact CD1-CE1 4.21Å; Y849-F859 HydrophobicContact CD1-CZ 4.12Å; Y849-F859 HydrophobicContact CG-CZ 4.34Å; Y849-F859 PolarHBondContact N-O 3.2Å; Y849-F859 PolarHBondContact O-N 2.98Å; I857-F859 HydrophobicContact CG2-CD1 4.35Å; I857-F859 HydrophobicContact CG2-CE1 4.32Å; F859-V863 HydrophobicContact CB-CG2 3.78Å; F859-V865 HydrophobicContact CB-CG1 4.47Å; F859-V865 HydrophobicContact CD1-CG1 4.07Å; F859-V865 HydrophobicContact CG-CG1 4.23Å; F859-V878 HydrophobicContact CE1-CG2 4.05Å; F859-W880 HydrophobicContact CB-CD2 3.99Å; F859-W880 HydrophobicContact CB-CE3 4.07Å; F859-W880 HydrophobicContact CB-CG 4.32Å; F859-A887 HydrophobicContact CE1-CB 3.48Å; F859-A887 VanDerWaalsContact CE1-CB 3.48Å; F859-A887 HydrophobicContact CZ-CB 3.82Å; F859-L892 HydrophobicContact CE1-CD2 4.25Å; F859-L892 HydrophobicContact CE2-CD2 3.97Å; F859-L892 HydrophobicContact CZ-CD2 3.6Å; F859-L892 HydrophobicContact CZ-CG 4.3Å |
| 860 | P | 83.3 | Confident | 84.9 | Confident | 55 Ų | 55 | 66 Ų | 66 | 36% | 0.357 | 36% | 0.359 | S | S | . | . | trans | -80.8 | 153.2 | 174.6 | 32.8 | -31.5 | 0 | 0 | 0 | 111.5 | S845 V863 W880 | S845-P860 PolarHBondContact OG-O 2.74Å; P860-V863 HydrophobicContact CG-CG1 3.78Å; P860-V863 WeakPolarHBondContact O-CG2 3.3Å; P860-W880 VanDerWaalsContact CD-CH2 3.45Å; P860-W880 HydrophobicContact CG-CH2 4.23Å; P860-W880 HydrophobicContact CG-CZ2 4.16Å | ||
| 861 | A | 83.4 | Confident | 84.9 | Confident | 47 Ų | 47 | 62.1 Ų | 62.1 | 39% | 0.388 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | 144.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | V848 | V848-A861 HydrophobicContact CG2-CB 3.93Š|
| 862 | G | 80.4 | Confident | 84.4 | Confident | 48 Ų | 48 | 68.7 Ų | 68.7 | 50% | 0.495 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | -3.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 117 | S845 | S845-G862 WeakPolarHBondContact O-CA 3.4Å; S845-G862 PolarHBondContact O-N 2.93Å; S845-G862 PolarHBondContact OG-N 3.4Å |
| 863 | V | 85.4 | Confident | 84.3 | Confident | 33 Ų | 33 | 66 Ų | 66 | 20% | 0.2 | 36% | 0.362 | C | S | . | . | trans | -83.4 | 151.8 | 177.2 | -54.8 | 0 | 0 | 0 | 0 | 112.5 | R844 S845 F859 P860 V865 W880 | R844-V863 CarbonylContact C-O 3.46Å; R844-V863 VanDerWaalsContact CA-O 3.29Å; R844-V863 WeakPolarHBondContact CA-O 3.4Å; S845-V863 PolarHBondContact N-O 3.22Å; S845-V863 PolarHBondContact OG-N 3.2Å; S845-V863 VanDerWaalsContact OG-N 3.09Å; S845-V863 PolarHBondContact OG-O 2.84Å; F859-V863 HydrophobicContact CB-CG2 3.78Å; P860-V863 HydrophobicContact CG-CG1 3.78Å; P860-V863 WeakPolarHBondContact O-CG2 3.3Å; V863-V865 HydrophobicContact CG2-CG1 4.19Å; V863-W880 HydrophobicContact CG1-CZ2 4.18Å; V863-W880 HydrophobicContact CG2-CG 4.49Å; V863-W880 HydrophobicContact CG2-CZ2 4.33Å; V863-W880 VanDerWaalsContact CG2-NE1 3.32Å | ||
| 864 | E | 88.1 | Confident | 84.6 | Confident | 102 Ų | 102 | 61.6 Ų | 61.6 | 48% | 0.477 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 131.2 | 173 | -57.3 | -174 | 160 | 0 | 0 | 110.5 | L842 Y843 V895 | L842-E864 HydrophobicContact CD2-CB 3.93Å; Y843-E864 CarbonylContact O-C 3.58Å; Y843-E864 WeakPolarHBondContact O-CA 3.31Å; E864-V895 HydrophobicContact CG-CG2 4.38Å |
| 865 | V | 88.4 | Confident | 85.2 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 149.6 | 175.5 | -47.7 | 0 | 0 | 0 | 0 | 109.6 | Y843 F859 V863 V878 W880 L892 | Y843-V865 PolarHBondContact N-O 3.11Å; Y843-V865 PolarHBondContact O-N 2.93Å; F859-V865 HydrophobicContact CB-CG1 4.47Å; F859-V865 HydrophobicContact CD1-CG1 4.07Å; F859-V865 HydrophobicContact CG-CG1 4.23Å; V863-V865 HydrophobicContact CG2-CG1 4.19Å; V865-V878 HydrophobicContact CB-CB 4.44Å; V865-V878 HydrophobicContact CB-CG2 4.44Å; V865-V878 HydrophobicContact CG2-CB 4.1Å; V865-V878 HydrophobicContact CG2-CG1 4.4Å; V865-V878 HydrophobicContact CG2-CG2 4.24Å; V865-W880 HydrophobicContact CB-CB 4.48Å; V865-W880 HydrophobicContact CG1-CB 3.96Å; V865-W880 HydrophobicContact CG1-CG 4.08Å; V865-L892 HydrophobicContact CG2-CD1 4.33Å; V865-L892 HydrophobicContact CG2-CD2 3.58Å |
| 866 | E | 88.6 | Confident | 85.7 | Confident | 55 Ų | 55 | 56.7 Ų | 56.7 | 26% | 0.257 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 121.4 | 175.7 | 174.2 | -176.2 | -173.3 | 0 | 0 | 109.1 | P840 L868 V878 R879 | P840-E866 HydrophobicContact CB-CG 3.82Å; E866-L868 HydrophobicContact CG-CD2 3.85Å; E866-V878 CarbonylContact O-C 3.37Å; E866-V878 VanDerWaalsContact O-CA 3.27Å; E866-V878 WeakPolarHBondContact O-CA 3.48Å; E866-R879 HydrophobicContact CB-CB 4.3Å; E866-R879 PolarHBondContact N-O 3.48Å; E866-R879 PolarHBondContact O-N 3.22Å; E866-R879 IonicContact OE1-NH1 2.61Å; E866-R879 PolarHBondContact OE1-NH1 2.82Å; E866-R879 WeakPolarHBondContact OE2-CD 3.27Å; E866-R879 IonicContact OE2-CZ 3.48Å; E866-R879 IonicContact OE2-NE 2.95Å; E866-R879 IonicContact OE2-NH1 2.63Å; E866-R879 PolarHBondContact OE2-NH1 3.18Å |
| 867 | V | 88.8 | Confident | 85.6 | Confident | 21 Ų | 21 | 59.3 Ų | 59.3 | 13% | 0.127 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 119.3 | 178.6 | 178.9 | 0 | 0 | 0 | 0 | 109.9 | Y843 K870 W876 V878 L892 | Y843-V867 HydrophobicContact CD2-CB 3.92Å; Y843-V867 HydrophobicContact CD2-CG2 3.25Å; Y843-V867 HydrophobicContact CE2-CB 4.1Å; Y843-V867 HydrophobicContact CE2-CG2 3.83Å; Y843-V867 HydrophobicContact CG-CG2 3.75Å; V867-K870 HydrophobicContact CG1-CD 4.24Å; V867-K870 HydrophobicContact CG1-CG 3.58Å; V867-W876 HydrophobicContact CG1-CB 4.15Å; V867-W876 HydrophobicContact CG1-CD2 4.23Å; V867-W876 HydrophobicContact CG1-CE3 3.89Å; V867-W876 HydrophobicContact CG1-CG 4.38Å; V867-W876 HydrophobicContact CG2-CE3 3.82Å; V867-W876 HydrophobicContact CG2-CZ3 4.3Å; V867-V878 HydrophobicContact CB-CG1 4.32Å; V867-V878 HydrophobicContact CG1-CG1 4.39Å; V867-V878 HydrophobicContact CG2-CG1 3.77Å; V867-L892 HydrophobicContact CG2-CD1 4.32Å |
| 868 | L | 84.9 | Confident | 85.8 | Confident | 70 Ų | 70 | 59.3 Ų | 59.3 | 37% | 0.366 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -43.4 | -175 | -55.8 | 178.5 | 0 | 0 | 0 | 112.5 | E866 Y877 R879 E884 | E866-L868 HydrophobicContact CG-CD2 3.85Å; L868-Y877 HydrophobicContact CB-CD1 4.18Å; L868-Y877 HydrophobicContact CD1-CD1 3.88Å; L868-Y877 HydrophobicContact CD1-CE1 4.07Å; L868-Y877 PolarHBondContact N-O 3.19Å; L868-R879 HydrophobicContact CD1-CB 4.09Å; L868-R879 HydrophobicContact CG-CB 4.41Å; L868-E884 HydrophobicContact CD1-CG 4.45Å |
| 869 | E | 84.3 | Confident | 85.8 | Confident | 95 Ų | 95 | 61.3 Ų | 61.3 | 44% | 0.444 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 142.6 | 177.2 | -165.4 | -173.6 | 124 | 0 | 0 | 109.5 | Q871 W876 Y877 W886 | E869-Q871 PolarHBondContact OE1-NE2 3.28Å; E869-W876 CarbonylContact O-C 3.55Å; E869-W876 VanDerWaalsContact O-CA 3.29Å; E869-W876 WeakPolarHBondContact O-CA 3.47Å; E869-W876 WeakPolarHBondContact O-CB 3.5Å; E869-Y877 PolarHBondContact N-O 3.37Å; E869-Y877 PolarHBondContact O-N 3.23Å; E869-W886 HydrophobicContact CB-CH2 4.45Å; E869-W886 HydrophobicContact CG-CH2 4.49Å; E869-W886 WeakPolarHBondContact OE1-CH2 3.44Å |
| 870 | K | 87.7 | Confident | 85.8 | Confident | 99 Ų | 99 | 65.2 Ų | 65.2 | 43% | 0.43 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 121.1 | 175.8 | -64.9 | -179.9 | 176.4 | 167.3 | 0 | 109.3 | Y843 V867 W876 | Y843-K870 PolarHBondContact OH-NZ 3.37Å; V867-K870 HydrophobicContact CG1-CD 4.24Å; V867-K870 HydrophobicContact CG1-CG 3.58Å; K870-W876 HydrophobicContact CB-CD2 4.39Å; K870-W876 HydrophobicContact CB-CG 4.2Å; K870-W876 HydrophobicContact CD-CD2 4.25Å; K870-W876 HydrophobicContact CD-CH2 4.36Å; K870-W876 HydrophobicContact CD-CZ2 4Å; K870-W876 HydrophobicContact CG-CD2 3.76Å; K870-W876 HydrophobicContact CG-CE3 4.34Å; K870-W876 HydrophobicContact CG-CG 3.89Å; K870-W876 HydrophobicContact CG-CZ2 4.34Å |
| 871 | Q | 83.7 | Confident | 85.7 | Confident | 78 Ų | 78 | 66 Ų | 66 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | trans | -102.6 | 148.1 | 172 | -59.3 | -175.4 | -4.3 | 0 | 0 | 111.4 | E869 S873 G874 W875 W886 | E869-Q871 PolarHBondContact OE1-NE2 3.28Å; Q871-S873 VanDerWaalsContact CB-OG 3.24Å; Q871-S873 WeakPolarHBondContact CB-OG 3.29Å; Q871-S873 PolarHBondContact O-N 2.84Å; Q871-S873 VanDerWaalsContact O-N 3.15Å; Q871-S873 PolarHBondContact OE1-OG 3.04Å; Q871-G874 PolarHBondContact O-N 2.88Å; Q871-W875 WeakPolarHBondContact CB-O 3.27Å; Q871-W875 PolarHBondContact N-O 3.05Å; Q871-W886 HydrophobicContact CG-CH2 4.06Å; Q871-W886 HydrophobicContact CG-CZ3 3.94Å | ||
| 872 | E | 78.1 | Confident | 85.3 | Confident | 211 Ų | 211 | 69.8 Ų | 69.8 | 99% | 0.986 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -12.9 | 172.1 | -62.7 | 171.1 | -173 | 0 | 0 | 112.4 | G874 | E872-G874 PolarHBondContact O-N 2.86Š|
| 873 | S | 80.6 | Confident | 85.2 | Confident | 71 Ų | 71 | 71.8 Ų | 71.8 | 50% | 0.497 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -4.5 | 174.1 | 62.8 | 0 | 0 | 0 | 0 | 114.6 | Q871 W875 | Q871-S873 VanDerWaalsContact CB-OG 3.24Å; Q871-S873 WeakPolarHBondContact CB-OG 3.29Å; Q871-S873 PolarHBondContact O-N 2.84Å; Q871-S873 VanDerWaalsContact O-N 3.15Å; Q871-S873 PolarHBondContact OE1-OG 3.04Å; S873-W875 VanDerWaalsContact C-N 3.26Å; S873-W875 PolarHBondContact O-N 2.64Å; S873-W875 PolarHBondContact OG-N 3.09Å |
| 874 | G | 82.1 | Confident | 85.5 | Confident | 27 Ų | 27 | 74.4 Ų | 74.4 | 28% | 0.278 | 38% | 0.383 | S | S | . | . | S | Bend | trans | 77.7 | 6.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q871 E872 P888 S889 | Q871-G874 PolarHBondContact O-N 2.88Å; E872-G874 PolarHBondContact O-N 2.86Å; G874-P888 CarbonylContact O-C 3.58Å; G874-P888 WeakPolarHBondContact O-CA 3.47Å; G874-S889 PolarHBondContact O-N 2.93Å; G874-S889 PolarHBondContact O-OG 2.85Å |
| 875 | W | 88.1 | Confident | 85.4 | Confident | 88 Ų | 88 | 69.6 Ų | 69.6 | 33% | 0.333 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 127.7 | 172.9 | -70.7 | 82.6 | 0 | 0 | 0 | 110.4 | Y849 E856 Q871 S873 W886 P888 | Y849-W875 WeakPolarHBondContact OH-CH2 3.29Å; Y849-W875 WeakPolarHBondContact OH-CZ3 3.31Å; E856-W875 HydrophobicContact CG-CH2 4.34Å; E856-W875 HydrophobicContact CG-CZ3 3.86Å; Q871-W875 WeakPolarHBondContact CB-O 3.27Å; Q871-W875 PolarHBondContact N-O 3.05Å; S873-W875 VanDerWaalsContact C-N 3.26Å; S873-W875 PolarHBondContact O-N 2.64Å; S873-W875 PolarHBondContact OG-N 3.09Å; W875-W886 HydrophobicContact CB-CE3 4.1Å; W875-W886 HydrophobicContact CE3-CB 4.02Å; W875-W886 HydrophobicContact CZ3-CB 4.5Å; W875-P888 HydrophobicContact CD2-CG 4.4Å; W875-P888 HydrophobicContact CE3-CG 4.11Å; W875-P888 HydrophobicContact CH2-CG 3.91Å; W875-P888 HydrophobicContact CZ2-CG 4.16Å; W875-P888 HydrophobicContact CZ3-CG 3.86Å |
| 876 | W | 91.8 | Very high | 85.6 | Confident | 42 Ų | 42 | 72.3 Ų | 72.3 | 16% | 0.159 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 142.1 | 179.7 | -65.5 | -2.9 | 0 | 0 | 0 | 109.4 | Y843 V867 E869 K870 V878 W886 A887 L892 | Y843-W876 AromaticContact CD1-CZ3 3.86Å; Y843-W876 HydrophobicContact CD1-CZ3 3.86Å; Y843-W876 HydrophobicContact CE1-CH2 4.03Å; Y843-W876 AromaticContact CE1-CZ3 3.66Å; Y843-W876 HydrophobicContact CE1-CZ3 3.66Å; Y843-W876 HydrophobicContact CE2-CZ3 4.5Å; Y843-W876 HydrophobicContact CG-CZ3 4.41Å; V867-W876 HydrophobicContact CG1-CB 4.15Å; V867-W876 HydrophobicContact CG1-CD2 4.23Å; V867-W876 HydrophobicContact CG1-CE3 3.89Å; V867-W876 HydrophobicContact CG1-CG 4.38Å; V867-W876 HydrophobicContact CG2-CE3 3.82Å; V867-W876 HydrophobicContact CG2-CZ3 4.3Å; E869-W876 CarbonylContact O-C 3.55Å; E869-W876 VanDerWaalsContact O-CA 3.29Å; E869-W876 WeakPolarHBondContact O-CA 3.47Å; E869-W876 WeakPolarHBondContact O-CB 3.5Å; K870-W876 HydrophobicContact CB-CD2 4.39Å; K870-W876 HydrophobicContact CB-CG 4.2Å; K870-W876 HydrophobicContact CD-CD2 4.25Å; K870-W876 HydrophobicContact CD-CH2 4.36Å; K870-W876 HydrophobicContact CD-CZ2 4Å; K870-W876 HydrophobicContact CG-CD2 3.76Å; K870-W876 HydrophobicContact CG-CE3 4.34Å; K870-W876 HydrophobicContact CG-CG 3.89Å; K870-W876 HydrophobicContact CG-CZ2 4.34Å; W876-V878 HydrophobicContact CB-CG1 4.06Å; W876-W886 VanDerWaalsContact C-CE3 3.44Å; W876-W886 WeakPolarHBondContact O-CA 3.46Å; W876-A887 PolarHBondContact N-O 2.75Å; W876-A887 PolarHBondContact O-N 2.9Å; W876-L892 HydrophobicContact CE3-CB 4.49Å; W876-L892 HydrophobicContact CE3-CD1 3.91Å; W876-L892 HydrophobicContact CZ3-CB 4.32Å |
| 877 | Y | 88.9 | Confident | 85.6 | Confident | 64 Ų | 64 | 69.7 Ų | 69.7 | 25% | 0.251 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 118.4 | 173.2 | -162.9 | -112.7 | 0 | 0 | 0 | 107.9 | L868 E869 E884 G885 W886 | L868-Y877 HydrophobicContact CB-CD1 4.18Å; L868-Y877 HydrophobicContact CD1-CD1 3.88Å; L868-Y877 HydrophobicContact CD1-CE1 4.07Å; L868-Y877 PolarHBondContact N-O 3.19Å; E869-Y877 PolarHBondContact N-O 3.37Å; E869-Y877 PolarHBondContact O-N 3.23Å; Y877-E884 HydrophobicContact CE1-CB 3.92Å; Y877-E884 WeakPolarHBondContact OH-CB 3.5Å; Y877-G885 VanDerWaalsContact CE2-CA 3.46Å; Y877-W886 AromaticContact CD2-CD1 4Å; Y877-W886 AromaticContact CD2-CD2 3.84Å; Y877-W886 HydrophobicContact CD2-CD2 3.84Å; Y877-W886 AromaticContact CD2-CE2 3.57Å; Y877-W886 HydrophobicContact CD2-CE3 4.42Å; Y877-W886 HydrophobicContact CD2-CG 4.08Å; Y877-W886 HydrophobicContact CD2-CH2 4.45Å; Y877-W886 AromaticContact CD2-CZ2 3.9Å; Y877-W886 HydrophobicContact CD2-CZ2 3.9Å; Y877-W886 AromaticContact CD2-NE1 3.7Å; Y877-W886 HydrophobicContact CG-CH2 4.45Å; Y877-W886 HydrophobicContact CG-CZ2 4.26Å; Y877-W886 VanDerWaalsContact N-CZ3 3.34Å |
| 878 | V | 91.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 144.7 | -172.2 | -47.6 | 0 | 0 | 0 | 0 | 111.7 | I857 F859 V865 E866 V867 W876 E884 G885 A887 L892 | I857-V878 HydrophobicContact CG2-CG2 3.45Å; I857-V878 VanDerWaalsContact CG2-CG2 3.45Å; F859-V878 HydrophobicContact CE1-CG2 4.05Å; V865-V878 HydrophobicContact CB-CB 4.44Å; V865-V878 HydrophobicContact CB-CG2 4.44Å; V865-V878 HydrophobicContact CG2-CB 4.1Å; V865-V878 HydrophobicContact CG2-CG1 4.4Å; V865-V878 HydrophobicContact CG2-CG2 4.24Å; E866-V878 CarbonylContact O-C 3.37Å; E866-V878 VanDerWaalsContact O-CA 3.27Å; E866-V878 WeakPolarHBondContact O-CA 3.48Å; V867-V878 HydrophobicContact CB-CG1 4.32Å; V867-V878 HydrophobicContact CG1-CG1 4.39Å; V867-V878 HydrophobicContact CG2-CG1 3.77Å; W876-V878 HydrophobicContact CB-CG1 4.06Å; V878-E884 WeakPolarHBondContact O-CA 3.07Å; V878-G885 PolarHBondContact N-O 3.02Å; V878-G885 PolarHBondContact O-N 3.31Å; V878-A887 HydrophobicContact CG2-CB 4.06Å; V878-L892 HydrophobicContact CG1-CD1 3.81Å |
| 879 | R | 86.9 | Confident | 85.8 | Confident | 78 Ų | 78 | 67.9 Ų | 67.9 | 29% | 0.294 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 129.2 | 173.2 | -178 | -176 | -61.6 | 130 | 3.5 | 109.2 | E866 L868 E883 E884 | E866-R879 HydrophobicContact CB-CB 4.3Å; E866-R879 PolarHBondContact N-O 3.48Å; E866-R879 PolarHBondContact O-N 3.22Å; E866-R879 IonicContact OE1-NH1 2.61Å; E866-R879 PolarHBondContact OE1-NH1 2.82Å; E866-R879 WeakPolarHBondContact OE2-CD 3.27Å; E866-R879 IonicContact OE2-CZ 3.48Å; E866-R879 IonicContact OE2-NE 2.95Å; E866-R879 IonicContact OE2-NH1 2.63Å; E866-R879 PolarHBondContact OE2-NH1 3.18Å; L868-R879 HydrophobicContact CD1-CB 4.09Å; L868-R879 HydrophobicContact CG-CB 4.41Å; R879-E883 WeakPolarHBondContact CA-O 3.39Å; R879-E884 HydrophobicContact CB-CG 4.01Å; R879-E884 HydrophobicContact CG-CG 3.95Å; R879-E884 IonicContact CZ-OE1 3.05Å; R879-E884 IonicContact NE-OE1 3.94Å; R879-E884 PolarHBondContact NE-OE1 3.36Å; R879-E884 IonicContact NH2-OE1 2.71Å; R879-E884 PolarHBondContact NH2-OE1 3.46Å |
| 880 | W | 86.7 | Confident | 86 | Confident | 84 Ų | 84 | 73 Ų | 73 | 32% | 0.318 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 110.8 | 171.1 | -179.7 | 57.9 | 0 | 0 | 0 | 109.6 | I857 S858 F859 P860 V863 V865 S882 E883 | I857-W880 HydrophobicContact CD1-CB 3.73Å; S858-W880 WeakPolarHBondContact O-CZ3 3.26Å; F859-W880 HydrophobicContact CB-CD2 3.99Å; F859-W880 HydrophobicContact CB-CE3 4.07Å; F859-W880 HydrophobicContact CB-CG 4.32Å; P860-W880 VanDerWaalsContact CD-CH2 3.45Å; P860-W880 HydrophobicContact CG-CH2 4.23Å; P860-W880 HydrophobicContact CG-CZ2 4.16Å; V863-W880 HydrophobicContact CG1-CZ2 4.18Å; V863-W880 HydrophobicContact CG2-CG 4.49Å; V863-W880 HydrophobicContact CG2-CZ2 4.33Å; V863-W880 VanDerWaalsContact CG2-NE1 3.32Å; V865-W880 HydrophobicContact CB-CB 4.48Å; V865-W880 HydrophobicContact CG1-CB 3.96Å; V865-W880 HydrophobicContact CG1-CG 4.08Å; W880-S882 PolarHBondContact O-N 3.48Å; W880-S882 VanDerWaalsContact O-N 3.12Å; W880-E883 PolarHBondContact N-O 3.05Å; W880-E883 PolarHBondContact O-N 2.81Å; W880-E883 VanDerWaalsContact O-N 3.15Å |
| 881 | G | 80.9 | Confident | 85.8 | Confident | 72 Ų | 72 | 71.6 Ų | 71.6 | 74% | 0.742 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | -110.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 882 | S | 74.9 | Confident | 86 | Confident | 126 Ų | 126 | 68.5 Ų | 68.5 | 88% | 0.881 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | 6.3 | 177.9 | 62.4 | 0 | 0 | 0 | 0 | 113.9 | W880 | W880-S882 PolarHBondContact O-N 3.48Å; W880-S882 VanDerWaalsContact O-N 3.12Å |
| 883 | E | 79.6 | Confident | 86.3 | Confident | 90 Ų | 90 | 62.5 Ų | 62.5 | 42% | 0.421 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 145.2 | 169.9 | -71.4 | -172.1 | -144.6 | 0 | 0 | 109.7 | K851 I857 R879 W880 | K851-E883 IonicContact NZ-OE2 2.94Å; K851-E883 PolarHBondContact NZ-OE2 3.04Å; I857-E883 HydrophobicContact CD1-CB 3.82Å; I857-E883 WeakPolarHBondContact CD1-O 3.35Å; I857-E883 HydrophobicContact CG1-CB 4.23Å; R879-E883 WeakPolarHBondContact CA-O 3.39Å; W880-E883 PolarHBondContact N-O 3.05Å; W880-E883 PolarHBondContact O-N 2.81Å; W880-E883 VanDerWaalsContact O-N 3.15Å |
| 884 | E | 90.3 | Very high | 86.5 | Confident | 89 Ų | 89 | 62.6 Ų | 62.6 | 42% | 0.416 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 141.3 | 172.5 | -63.4 | -174.4 | 172.6 | 0 | 0 | 108.7 | L868 Y877 V878 R879 | L868-E884 HydrophobicContact CD1-CG 4.45Å; Y877-E884 HydrophobicContact CE1-CB 3.92Å; Y877-E884 WeakPolarHBondContact OH-CB 3.5Å; V878-E884 WeakPolarHBondContact O-CA 3.07Å; R879-E884 HydrophobicContact CB-CG 4.01Å; R879-E884 HydrophobicContact CG-CG 3.95Å; R879-E884 IonicContact CZ-OE1 3.05Å; R879-E884 IonicContact NE-OE1 3.94Å; R879-E884 PolarHBondContact NE-OE1 3.36Å; R879-E884 IonicContact NH2-OE1 2.71Å; R879-E884 PolarHBondContact NH2-OE1 3.46Å |
| 885 | G | 86.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.9 | 175.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S855 I857 Y877 V878 | S855-G885 WeakPolarHBondContact O-CA 3.31Å; I857-G885 WeakPolarHBondContact CG2-O 3.37Å; Y877-G885 VanDerWaalsContact CE2-CA 3.46Å; V878-G885 PolarHBondContact N-O 3.02Å; V878-G885 PolarHBondContact O-N 3.31Å |
| 886 | W | 91.7 | Very high | 85.2 | Confident | 59 Ų | 59 | 68 Ų | 68 | 22% | 0.223 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 139 | 176.5 | -66.2 | 98.6 | 0 | 0 | 0 | 112.1 | S855 E856 I857 E869 Q871 W875 W876 Y877 | S855-W886 PolarHBondContact O-N 3.22Å; E856-W886 CarbonylContact C-O 3.42Å; E856-W886 WeakPolarHBondContact CA-O 3.41Å; E856-W886 WeakPolarHBondContact CB-O 3.33Å; E856-W886 HydrophobicContact CG-CB 4.36Å; I857-W886 PolarHBondContact N-O 2.86Å; E869-W886 HydrophobicContact CB-CH2 4.45Å; E869-W886 HydrophobicContact CG-CH2 4.49Å; E869-W886 WeakPolarHBondContact OE1-CH2 3.44Å; Q871-W886 HydrophobicContact CG-CH2 4.06Å; Q871-W886 HydrophobicContact CG-CZ3 3.94Å; W875-W886 HydrophobicContact CB-CE3 4.1Å; W875-W886 HydrophobicContact CE3-CB 4.02Å; W875-W886 HydrophobicContact CZ3-CB 4.5Å; W876-W886 VanDerWaalsContact C-CE3 3.44Å; W876-W886 WeakPolarHBondContact O-CA 3.46Å; Y877-W886 AromaticContact CD2-CD1 4Å; Y877-W886 AromaticContact CD2-CD2 3.84Å; Y877-W886 HydrophobicContact CD2-CD2 3.84Å; Y877-W886 AromaticContact CD2-CE2 3.57Å; Y877-W886 HydrophobicContact CD2-CE3 4.42Å; Y877-W886 HydrophobicContact CD2-CG 4.08Å; Y877-W886 HydrophobicContact CD2-CH2 4.45Å; Y877-W886 AromaticContact CD2-CZ2 3.9Å; Y877-W886 HydrophobicContact CD2-CZ2 3.9Å; Y877-W886 AromaticContact CD2-NE1 3.7Å; Y877-W886 HydrophobicContact CG-CH2 4.45Å; Y877-W886 HydrophobicContact CG-CZ2 4.26Å; Y877-W886 VanDerWaalsContact N-CZ3 3.34Å |
| 887 | A | 90.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 150.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y849 I857 F859 W876 V878 | Y849-A887 HydrophobicContact CD1-CB 3.92Å; Y849-A887 HydrophobicContact CE1-CB 3.96Å; I857-A887 HydrophobicContact CG2-CB 4.05Å; F859-A887 HydrophobicContact CE1-CB 3.48Å; F859-A887 VanDerWaalsContact CE1-CB 3.48Å; F859-A887 HydrophobicContact CZ-CB 3.82Å; W876-A887 PolarHBondContact N-O 2.75Å; W876-A887 PolarHBondContact O-N 2.9Å; V878-A887 HydrophobicContact CG2-CB 4.06Å |
| 888 | P | 89.4 | Confident | 80.8 | Confident | 21 Ų | 21 | 77.6 Ų | 77.6 | 14% | 0.136 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 133.1 | 177.4 | -14.8 | 28.4 | 0 | 0 | 0 | 111.5 | Y849 G874 W875 Y890 Y891 | Y849-P888 HydrophobicContact CD2-CG 4.33Å; Y849-P888 HydrophobicContact CE2-CG 3.83Å; G874-P888 CarbonylContact O-C 3.58Å; G874-P888 WeakPolarHBondContact O-CA 3.47Å; W875-P888 HydrophobicContact CD2-CG 4.4Å; W875-P888 HydrophobicContact CE3-CG 4.11Å; W875-P888 HydrophobicContact CH2-CG 3.91Å; W875-P888 HydrophobicContact CZ2-CG 4.16Å; W875-P888 HydrophobicContact CZ3-CG 3.86Å; P888-Y890 PolarHBondContact O-N 2.83Å; P888-Y891 HydrophobicContact CB-CD2 4.01Å; P888-Y891 HydrophobicContact CB-CE2 4.4Å; P888-Y891 HydrophobicContact CG-CD2 4.09Å; P888-Y891 HydrophobicContact CG-CE2 4.27Å; P888-Y891 PolarHBondContact O-N 2.87Å; P888-Y891 VanDerWaalsContact O-N 3.15Å |
| 889 | S | 88.2 | Confident | 78.2 | Confident | 32 Ų | 32 | 81.1 Ų | 81.1 | 22% | 0.224 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -59.8 | -27.4 | -179.8 | 62.4 | 0 | 0 | 0 | 0 | 113.6 | G874 Y891 L892 | G874-S889 PolarHBondContact O-N 2.93Å; G874-S889 PolarHBondContact O-OG 2.85Å; S889-Y891 PolarHBondContact O-N 2.74Å; S889-Y891 VanDerWaalsContact O-N 3.09Å; S889-L892 PolarHBondContact O-N 3.22Å |
| 890 | Y | 88.1 | Confident | 75.7 | Confident | 201 Ų | 201 | 86.1 Ų | 86.1 | 79% | 0.788 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -54.3 | -27.6 | 176 | -175 | -102 | 0 | 0 | 0 | 113.4 | P888 L892 | P888-Y890 PolarHBondContact O-N 2.83Å; Y890-L892 VanDerWaalsContact C-N 3.34Å |
| 891 | Y | 84.4 | Confident | 74.5 | Confident | 71 Ų | 71 | 86.8 Ų | 86.8 | 28% | 0.278 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -86.2 | 4.8 | 178.4 | -69.4 | -76 | 0 | 0 | 0 | 113.9 | S845 V846 D847 Y849 P888 S889 | S845-Y891 CarbonylContact C-O 3.55Å; S845-Y891 WeakPolarHBondContact CA-O 3.35Å; V846-Y891 PolarHBondContact N-O 2.68Å; D847-Y891 HydrophobicContact CB-CD1 3.64Å; D847-Y891 HydrophobicContact CB-CE1 3.84Å; Y849-Y891 AromaticContact CD2-CD2 3.88Å; Y849-Y891 HydrophobicContact CD2-CD2 3.88Å; Y849-Y891 AromaticContact CD2-CE2 3.81Å; Y849-Y891 HydrophobicContact CD2-CE2 3.81Å; Y849-Y891 HydrophobicContact CE2-CE2 4.49Å; Y849-Y891 HydrophobicContact CG-CD2 4.22Å; P888-Y891 HydrophobicContact CB-CD2 4.01Å; P888-Y891 HydrophobicContact CB-CE2 4.4Å; P888-Y891 HydrophobicContact CG-CD2 4.09Å; P888-Y891 HydrophobicContact CG-CE2 4.27Å; P888-Y891 PolarHBondContact O-N 2.87Å; P888-Y891 VanDerWaalsContact O-N 3.15Å; S889-Y891 PolarHBondContact O-N 2.74Å; S889-Y891 VanDerWaalsContact O-N 3.09Å |
| 892 | L | 87.3 | Confident | 72.1 | Confident | 13 Ų | 13 | 88.5 Ų | 88.5 | 7% | 0.068 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 115.1 | -164.8 | -61.2 | 178.9 | 0 | 0 | 0 | 114.2 | Y843 F859 V865 V867 W876 V878 S889 Y890 | Y843-L892 HydrophobicContact CD1-CB 4.28Å; F859-L892 HydrophobicContact CE1-CD2 4.25Å; F859-L892 HydrophobicContact CE2-CD2 3.97Å; F859-L892 HydrophobicContact CZ-CD2 3.6Å; F859-L892 HydrophobicContact CZ-CG 4.3Å; V865-L892 HydrophobicContact CG2-CD1 4.33Å; V865-L892 HydrophobicContact CG2-CD2 3.58Å; V867-L892 HydrophobicContact CG2-CD1 4.32Å; W876-L892 HydrophobicContact CE3-CB 4.49Å; W876-L892 HydrophobicContact CE3-CD1 3.91Å; W876-L892 HydrophobicContact CZ3-CB 4.32Å; V878-L892 HydrophobicContact CG1-CD1 3.81Å; S889-L892 PolarHBondContact O-N 3.22Å; Y890-L892 VanDerWaalsContact C-N 3.34Å |
| 893 | E | 84.9 | Confident | 70.1 | Confident | 84 Ų | 84 | 88.3 Ų | 88.3 | 39% | 0.393 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 137.2 | 177.1 | -92.6 | 176 | -177.2 | 0 | 0 | 112.8 | Y843 R844 V846 V895 | Y843-E893 CarbonylContact C-O 3.5Å; Y843-E893 WeakPolarHBondContact CA-O 3.44Å; Y843-E893 VanDerWaalsContact CD1-C 3.44Å; R844-E893 IonicContact CZ-OE2 2.71Å; R844-E893 PolarHBondContact N-O 3.24Å; R844-E893 IonicContact NE-OE2 3.67Å; R844-E893 IonicContact NH2-OE2 2.74Å; R844-E893 PolarHBondContact NH2-OE2 3.15Å; R844-E893 PolarHBondContact O-N 3.27Å; V846-E893 HydrophobicContact CG2-CB 3.97Å; V846-E893 HydrophobicContact CG2-CG 3.49Å; V846-E893 VanDerWaalsContact CG2-CG 3.49Å; E893-V895 PolarHBondContact O-N 3.45Å |
| 894 | P | 84.2 | Confident | 67.9 | Low | 74 Ų | 74 | 91.3 Ų | 91.3 | 48% | 0.481 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 127.5 | 177.9 | 27.4 | -33.2 | 0 | 0 | 0 | 112.7 | Y843 K896 | Y843-P894 HydrophobicContact CD1-CB 4.08Å; Y843-P894 HydrophobicContact CE1-CB 3.65Å; Y843-P894 HydrophobicContact CE1-CG 4.2Å; P894-K896 PolarHBondContact O-N 3.47Å |
| 895 | V | 80.1 | Confident | 64.9 | Low | 40 Ų | 40 | 93.4 Ų | 93.4 | 24% | 0.242 | 50% | 0.495 | C | S | . | . | trans | -82.3 | 106.9 | 178.9 | -174.9 | 0 | 0 | 0 | 0 | 111 | L842 R844 E864 E893 K897 | L842-V895 WeakPolarHBondContact O-CB 3.31Å; L842-V895 WeakPolarHBondContact O-CG2 3.37Å; L842-V895 PolarHBondContact O-N 3.44Å; R844-V895 HydrophobicContact CB-CG2 3.6Å; E864-V895 HydrophobicContact CG-CG2 4.38Å; E893-V895 PolarHBondContact O-N 3.45Å; V895-K897 PolarHBondContact O-N 2.85Å | ||
| 896 | K | 62.4 | Low | 62.2 | Low | 189 Ų | 189 | 98.5 Ų | 98.5 | 82% | 0.822 | 53% | 0.531 | S | S | * | . | trans | -73.5 | 110.7 | 172 | -63.6 | 178.8 | -177.4 | 176 | 0 | 110 | P894 | P894-K896 PolarHBondContact O-N 3.47Š| ||
| 897 | K | 43.4 | Very low | 59 | Low | 167 Ų | 167 | 102.3 Ų | 102.3 | 73% | 0.726 | 56% | 0.555 | S | S | * | * | trans | -68.8 | 136.3 | 171.5 | -69 | 178.9 | 179.9 | 171.6 | 0 | 110.3 | V895 | V895-K897 PolarHBondContact O-N 2.85Š| ||
| 898 | V | 45.2 | Very low | 56.1 | Low | 139 Ų | 139 | 105.9 Ų | 105.9 | 84% | 0.842 | 59% | 0.593 | S | S | * | * | trans | -125.4 | 134.6 | 172.2 | 177.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 899 | G | 36.4 | Very low | 53.1 | Low | 74 Ų | 74 | 113.4 Ų | 113.4 | 76% | 0.763 | 63% | 0.626 | S | S | * | * | trans | -127 | 145.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 900 | E | 34 | Very low | 50.1 | Low | 183 Ų | 183 | 123.3 Ų | 123.3 | 86% | 0.855 | 66% | 0.658 | S | S | * | * | trans | -154 | 177.8 | -173.6 | -118.9 | -159.1 | -169 | 0 | 0 | 107.7 | ||||
| 901 | P | 62.5 | Low | 47.3 | Very low | 99 Ų | 99 | 121.9 Ų | 121.9 | 64% | 0.643 | 66% | 0.664 | S | S | * | * | cis | -137.2 | -155.2 | -22.9 | 35.8 | -15.1 | 0 | 0 | 0 | 112.6 | ||||
| 902 | S | 30.8 | Very low | 44.5 | Very low | 107 Ų | 107 | 124.5 Ų | 124.5 | 75% | 0.748 | 69% | 0.693 | S | S | * | * | trans | 89.7 | 145.7 | 153 | 87.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 903 | V | 31.7 | Very low | 41.6 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 75% | 0.745 | 72% | 0.723 | S | S | * | * | cis | -155.2 | 144.8 | -6.2 | 103.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 904 | L | 33.1 | Very low | 39.2 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | trans | 29.5 | 154.1 | 153 | -66.2 | 166.8 | 0 | 0 | 0 | 123.5 | ||||
| 905 | E | 28.5 | Very low | 36.6 | Very low | 134 Ų | 134 | 138.3 Ų | 138.3 | 63% | 0.626 | 76% | 0.763 | S | S | * | * | cis | -107.4 | -120.3 | 10.3 | -155.7 | -149.9 | -158.8 | 0 | 0 | 112.6 | N907 | E905-N907 PolarHBondContact OE1-ND2 2.99Å; E905-N907 PolarHBondContact OE2-N 2.83Å; E905-N907 PolarHBondContact OE2-ND2 3.35Å | ||
| 906 | S | 29.4 | Very low | 34.5 | Very low | 106 Ų | 106 | 141.4 Ų | 141.4 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | cis | -147 | 165.9 | -4.2 | -157.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 907 | N | 26 | Very low | 33.8 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | -71.8 | 142 | -168.2 | -76.3 | -67.2 | 0 | 0 | 0 | 114.9 | E905 | E905-N907 PolarHBondContact OE1-ND2 2.99Å; E905-N907 PolarHBondContact OE2-N 2.83Å; E905-N907 PolarHBondContact OE2-ND2 3.35Å | ||
| 908 | G | 27.5 | Very low | 33.8 | Very low | 76 Ų | 76 | 132.7 Ų | 132.7 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | trans | -173.3 | -6.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 909 | Q | 27.5 | Very low | 33.6 | Very low | 179 Ų | 179 | 132 Ų | 132 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | trans | 52.5 | 80 | 160.7 | -162.5 | 72.5 | -29.2 | 0 | 0 | 119.7 | ||||
| 910 | R | 25.3 | Very low | 34 | Very low | 239 Ų | 239 | 132.4 Ų | 132.4 | 90% | 0.902 | 74% | 0.736 | S | S | * | * | trans | -177.7 | 96.8 | 137.9 | -106.3 | 179 | -174.5 | -150.9 | 2.6 | 113.6 | ||||
| 911 | N | 29.1 | Very low | 34.5 | Very low | 171 Ų | 171 | 131 Ų | 131 | 91% | 0.914 | 73% | 0.727 | S | S | * | * | trans | 175.1 | 124.6 | 140.5 | -101.4 | -23.1 | 0 | 0 | 0 | 114 | ||||
| 912 | S | 25.7 | Very low | 33.5 | Very low | 127 Ų | 127 | 131 Ų | 131 | 89% | 0.888 | 72% | 0.722 | S | S | * | * | trans | -164 | 112.7 | 153.8 | 54 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 913 | G | 25.5 | Very low | 34.3 | Very low | 68 Ų | 68 | 131.3 Ų | 131.3 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | trans | -143.7 | -8.9 | -156.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 914 | K | 34.2 | Very low | 35.1 | Very low | 197 Ų | 197 | 131.3 Ų | 131.3 | 86% | 0.857 | 70% | 0.701 | S | S | * | * | trans | 68.7 | 164.1 | 178.8 | -47.4 | 174.7 | 179.7 | 177.9 | 0 | 116.4 | ||||
| 915 | K | 29.6 | Very low | 35.5 | Very low | 195 Ų | 195 | 130.1 Ų | 130.1 | 85% | 0.848 | 69% | 0.692 | S | S | * | * | trans | 75.1 | 137.1 | 165.6 | -63 | 173 | -177.4 | 177 | 0 | 116.1 | ||||
| 916 | S | 36.9 | Very low | 36.5 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 73% | 0.734 | 69% | 0.691 | S | S | * | * | cis | -151.7 | 144.1 | -3.6 | -96.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 917 | N | 47.2 | Very low | 37.4 | Very low | 92 Ų | 92 | 128.4 Ų | 128.4 | 49% | 0.492 | 68% | 0.681 | S | S | . | * | trans | -75.5 | 123.3 | 163.3 | -179.1 | -9.3 | 0 | 0 | 0 | 109.3 | E920 | N917-E920 PolarHBondContact ND2-OE2 3.25Å; N917-E920 WeakPolarHBondContact OD1-CB 3.4Å | ||
| 918 | S | 42.8 | Very low | 38.3 | Very low | 81 Ų | 81 | 124.1 Ų | 124.1 | 57% | 0.566 | 67% | 0.665 | S | S | * | * | trans | -134.5 | -2.5 | -173.7 | -164.8 | 0 | 0 | 0 | 0 | 115.2 | N922 | S918-N922 PolarHBondContact O-ND2 2.94Å; S918-N922 PolarHBondContact O-OD1 2.86Å | ||
| 919 | L | 42 | Very low | 38.9 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 65% | 0.649 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -100.2 | -48.2 | -178.3 | -130 | 167.2 | 0 | 0 | 0 | 110.6 | K921 N922 E923 | L919-K921 PolarHBondContact O-N 2.86Å; L919-K921 VanDerWaalsContact O-N 3.15Å; L919-N922 WeakPolarHBondContact O-CB 3.29Å; L919-N922 PolarHBondContact O-N 3.13Å; L919-E923 PolarHBondContact O-N 2.87Å |
| 920 | E | 45.7 | Very low | 39.8 | Very low | 83 Ų | 83 | 123.2 Ų | 123.2 | 39% | 0.388 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -60.4 | -27 | 177.2 | -159.4 | -164.8 | 140.6 | 0 | 0 | 112.8 | N917 K924 | N917-E920 PolarHBondContact ND2-OE2 3.25Å; N917-E920 WeakPolarHBondContact OD1-CB 3.4Å; E920-K924 HydrophobicContact CG-CD 4.43Å; E920-K924 WeakPolarHBondContact O-CB 3.35Å; E920-K924 VanDerWaalsContact O-CG 3.28Å; E920-K924 WeakPolarHBondContact O-CG 3.24Å; E920-K924 PolarHBondContact O-N 3.35Å; E920-K924 VanDerWaalsContact O-N 3.1Å; E920-K924 IonicContact OE1-NZ 2.71Å; E920-K924 PolarHBondContact OE1-NZ 2.93Å |
| 921 | K | 43.3 | Very low | 40.7 | Very low | 155 Ų | 155 | 117.3 Ų | 117.3 | 67% | 0.674 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.6 | -35.3 | 171.5 | -78.9 | -168 | 171.9 | -170 | 0 | 113 | L919 H925 | L919-K921 PolarHBondContact O-N 2.86Å; L919-K921 VanDerWaalsContact O-N 3.15Å; K921-H925 WeakPolarHBondContact O-CB 3.38Å; K921-H925 PolarHBondContact O-N 2.72Å |
| 922 | N | 41.3 | Very low | 41.4 | Very low | 98 Ų | 98 | 115 Ų | 115 | 52% | 0.524 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -75.9 | -42.2 | -177.8 | -62.6 | -3.1 | 0 | 0 | 0 | 109.9 | S918 L919 K924 H925 V926 | S918-N922 PolarHBondContact O-ND2 2.94Å; S918-N922 PolarHBondContact O-OD1 2.86Å; L919-N922 WeakPolarHBondContact O-CB 3.29Å; L919-N922 PolarHBondContact O-N 3.13Å; N922-K924 PolarHBondContact O-N 3.02Å; N922-H925 WeakPolarHBondContact O-CB 3.41Å; N922-H925 PolarHBondContact O-N 3.1Å; N922-H925 VanDerWaalsContact O-N 3.1Å; N922-V926 WeakPolarHBondContact O-CG2 3.35Å; N922-V926 PolarHBondContact O-N 2.91Å |
| 923 | E | 48.7 | Very low | 42.1 | Very low | 113 Ų | 113 | 115.8 Ų | 115.8 | 53% | 0.528 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -60.5 | -44.2 | 172.9 | -66.5 | 172.5 | 155 | 0 | 0 | 111.4 | L919 H925 V926 L927 | L919-E923 PolarHBondContact O-N 2.87Å; E923-H925 VanDerWaalsContact C-N 3.27Å; E923-H925 PolarHBondContact O-N 3.44Å; E923-V926 PolarHBondContact O-N 3.43Å; E923-L927 WeakPolarHBondContact O-CB 3.27Å; E923-L927 WeakPolarHBondContact O-CG 3.19Å; E923-L927 PolarHBondContact O-N 3.24Å |
| 924 | K | 48.7 | Very low | 42.9 | Very low | 124 Ų | 124 | 120.1 Ų | 120.1 | 54% | 0.539 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.2 | -27.5 | 173.9 | -74.6 | 171.8 | 177 | 174.8 | 0 | 113.3 | E920 N922 A928 | E920-K924 HydrophobicContact CG-CD 4.43Å; E920-K924 WeakPolarHBondContact O-CB 3.35Å; E920-K924 VanDerWaalsContact O-CG 3.28Å; E920-K924 WeakPolarHBondContact O-CG 3.24Å; E920-K924 PolarHBondContact O-N 3.35Å; E920-K924 VanDerWaalsContact O-N 3.1Å; E920-K924 IonicContact OE1-NZ 2.71Å; E920-K924 PolarHBondContact OE1-NZ 2.93Å; N922-K924 PolarHBondContact O-N 3.02Å; K924-A928 VanDerWaalsContact O-CB 3.27Å; K924-A928 WeakPolarHBondContact O-CB 3.1Å; K924-A928 PolarHBondContact O-N 3.42Å |
| 925 | H | 40.3 | Very low | 43.2 | Very low | 127 Ų | 127 | 119.1 Ų | 119.1 | 59% | 0.588 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -74.6 | -38.9 | 173.3 | -153.7 | -99 | 0 | 0 | 0 | 112.3 | K921 N922 E923 A928 L929 | K921-H925 WeakPolarHBondContact O-CB 3.38Å; K921-H925 PolarHBondContact O-N 2.72Å; N922-H925 WeakPolarHBondContact O-CB 3.41Å; N922-H925 PolarHBondContact O-N 3.1Å; N922-H925 VanDerWaalsContact O-N 3.1Å; E923-H925 VanDerWaalsContact C-N 3.27Å; E923-H925 PolarHBondContact O-N 3.44Å; H925-A928 PolarHBondContact O-N 3.03Å; H925-L929 WeakPolarHBondContact O-CG 3.28Å; H925-L929 PolarHBondContact O-N 3.34Å |
| 926 | V | 50.3 | Low | 43.3 | Very low | 100 Ų | 100 | 113 Ų | 113 | 61% | 0.606 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.6 | -43.2 | 174.4 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | N922 E923 A928 L929 N930 | N922-V926 WeakPolarHBondContact O-CG2 3.35Å; N922-V926 PolarHBondContact O-N 2.91Å; E923-V926 PolarHBondContact O-N 3.43Å; V926-A928 VanDerWaalsContact C-N 3.32Å; V926-A928 PolarHBondContact O-N 3.41Å; V926-L929 PolarHBondContact O-N 3.26Å; V926-N930 PolarHBondContact O-N 3.44Å |
| 927 | L | 48.9 | Very low | 43.2 | Very low | 104 Ų | 104 | 114.7 Ų | 114.7 | 55% | 0.545 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.8 | -30.8 | 175.4 | -72.7 | 167 | 0 | 0 | 0 | 112.9 | E923 N931 | E923-L927 WeakPolarHBondContact O-CB 3.27Å; E923-L927 WeakPolarHBondContact O-CG 3.19Å; E923-L927 PolarHBondContact O-N 3.24Å; L927-N931 PolarHBondContact O-N 3.39Å; L927-N931 PolarHBondContact O-ND2 3.22Å |
| 928 | A | 43.5 | Very low | 42.3 | Very low | 48 Ų | 48 | 117.5 Ų | 117.5 | 40% | 0.397 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -68.4 | -47.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.6 | K924 H925 V926 N930 N931 I932 | K924-A928 VanDerWaalsContact O-CB 3.27Å; K924-A928 WeakPolarHBondContact O-CB 3.1Å; K924-A928 PolarHBondContact O-N 3.42Å; H925-A928 PolarHBondContact O-N 3.03Å; V926-A928 VanDerWaalsContact C-N 3.32Å; V926-A928 PolarHBondContact O-N 3.41Å; A928-N930 VanDerWaalsContact C-N 3.31Å; A928-N930 PolarHBondContact O-N 3.42Å; A928-N931 PolarHBondContact O-N 3.26Å; A928-I932 WeakPolarHBondContact O-CG1 3.46Å; A928-I932 PolarHBondContact O-N 3.05Å |
| 929 | L | 41.4 | Very low | 41.9 | Very low | 108 Ų | 108 | 120.4 Ų | 120.4 | 57% | 0.565 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -60.6 | -37.8 | 179.2 | -75.1 | 167.6 | 0 | 0 | 0 | 112.7 | H925 V926 | H925-L929 WeakPolarHBondContact O-CG 3.28Å; H925-L929 PolarHBondContact O-N 3.34Å; V926-L929 PolarHBondContact O-N 3.26Å |
| 930 | N | 45.2 | Very low | 41.4 | Very low | 128 Ų | 128 | 122.2 Ų | 122.2 | 68% | 0.684 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73 | -29.5 | 179.1 | -154.9 | 25.4 | 0 | 0 | 0 | 113.1 | V926 A928 | V926-N930 PolarHBondContact O-N 3.44Å; A928-N930 VanDerWaalsContact C-N 3.31Å; A928-N930 PolarHBondContact O-N 3.42Å |
| 931 | N | 43.6 | Very low | 40.7 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 62% | 0.62 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -84.4 | -17.3 | 179.5 | -80.3 | -61.7 | 0 | 0 | 0 | 114.4 | L927 A928 N933 | L927-N931 PolarHBondContact O-N 3.39Å; L927-N931 PolarHBondContact O-ND2 3.22Å; A928-N931 PolarHBondContact O-N 3.26Å; N931-N933 PolarHBondContact O-N 3.05Å |
| 932 | I | 43.9 | Very low | 40 | Very low | 123 Ų | 123 | 128.8 Ų | 128.8 | 63% | 0.631 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -24.3 | 177.5 | -76.2 | 164.5 | 0 | 0 | 0 | 112.3 | A928 | A928-I932 WeakPolarHBondContact O-CG1 3.46Å; A928-I932 PolarHBondContact O-N 3.05Å |
| 933 | N | 42.1 | Very low | 39.4 | Very low | 143 Ų | 143 | 127.1 Ų | 127.1 | 77% | 0.765 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -1.6 | -167.5 | -151.4 | 28.9 | 0 | 0 | 0 | 115.8 | N931 | N931-N933 PolarHBondContact O-N 3.05Š|
| 934 | I | 40.8 | Very low | 38.5 | Very low | 158 Ų | 158 | 129.2 Ų | 129.2 | 81% | 0.81 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.2 | -4.7 | -179.5 | -68.7 | -176 | 0 | 0 | 0 | 113.4 | ||
| 935 | Q | 40.7 | Very low | 37.5 | Very low | 177 Ų | 177 | 134.7 Ų | 134.7 | 83% | 0.827 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -117.3 | 62.6 | 170.3 | -65.7 | -168.8 | 0.4 | 0 | 0 | 111.4 | ||
| 936 | G | 33 | Very low | 37 | Very low | 66 Ų | 66 | 132 Ų | 132 | 68% | 0.68 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -124.7 | 30.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 937 | L | 34.1 | Very low | 35.9 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | trans | 58.9 | 115.2 | 171.5 | -78.7 | 73.8 | 0 | 0 | 0 | 118.8 | Q939 | L937-Q939 HydrophobicContact CD2-CB 4.25Å; L937-Q939 HydrophobicContact CG-CB 4.42Å | ||
| 938 | T | 27.9 | Very low | 34.9 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 93% | 0.933 | 74% | 0.742 | S | S | * | * | -97 | 88 | 129.4 | 51.3 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 939 | Q | 35.6 | Very low | 35.2 | Very low | 142 Ų | 142 | 138.5 Ų | 138.5 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | trans | -152.3 | 117.4 | 166.9 | -168.4 | 164 | 100.2 | 0 | 0 | 112 | L937 | L937-Q939 HydrophobicContact CD2-CB 4.25Å; L937-Q939 HydrophobicContact CG-CB 4.42Å | ||
| 940 | Q | 31.2 | Very low | 35.6 | Very low | 161 Ų | 161 | 138.9 Ų | 138.9 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | 58.7 | 122.6 | 166.7 | -63.7 | 173.5 | -7.5 | 0 | 0 | 117.5 | ||||
| 941 | H | 29.4 | Very low | 35 | Very low | 179 Ų | 179 | 140 Ų | 140 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | 65.5 | 71.5 | 65 | -80.9 | -98.4 | 0 | 0 | 0 | 115.9 | |||||
| 942 | Q | 30.5 | Very low | 34.5 | Very low | 197 Ų | 197 | 140.6 Ų | 140.6 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | -176.9 | 159.1 | 146.7 | -100 | 151 | 92.2 | 0 | 0 | 109 | ||||
| 943 | G | 27.4 | Very low | 33.8 | Very low | 64 Ų | 64 | 139.5 Ų | 139.5 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | cis | 170.8 | 61.2 | -2.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 944 | L | 29.9 | Very low | 33.2 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | 70.6 | 155.6 | 161.7 | -60.3 | 167.6 | 0 | 0 | 0 | 120.9 | ||||
| 945 | R | 28.2 | Very low | 33.9 | Very low | 238 Ų | 238 | 139.8 Ų | 139.8 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | trans | 73.5 | 151 | 168.7 | -41.1 | -167.3 | -156.2 | -81.3 | 3.3 | 116.2 | ||||
| 946 | G | 28.8 | Very low | 33.7 | Very low | 70 Ų | 70 | 137.3 Ų | 137.3 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | cis | -168.5 | 178 | -0.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 947 | N | 27.6 | Very low | 33.3 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -92.1 | 140.3 | -167.5 | -55.4 | -5.1 | 0 | 0 | 0 | 114.7 | ||||
| 948 | S | 27.6 | Very low | 33 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 59.5 | 163.9 | 142.6 | -140.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 949 | P | 51.3 | Low | 33.3 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | cis | -110.1 | -145.6 | -7.6 | 41.4 | -24.6 | 0 | 0 | 0 | 109.7 | ||||
| 950 | P | 48.3 | Very low | 32.9 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | cis | -132 | -148.7 | -8.7 | 43 | -22.7 | 0 | 0 | 0 | 113.9 | ||||
| 951 | I | 33 | Very low | 33.2 | Very low | 151 Ų | 151 | 135.8 Ų | 135.8 | 77% | 0.774 | 79% | 0.786 | S | S | * | * | trans | -141.3 | 158.3 | 176.6 | -29.7 | 177.4 | 0 | 0 | 0 | 108.8 | ||||
| 952 | P | 33.2 | Very low | 33.9 | Very low | 129 Ų | 129 | 133 Ų | 133 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | -139.8 | 169.3 | 110.7 | 39.8 | -29.7 | 0 | 0 | 0 | 114.4 | |||||
| 953 | S | 28.7 | Very low | 34.1 | Very low | 99 Ų | 99 | 129.5 Ų | 129.5 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | -124 | 150.4 | 177.1 | 58.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 954 | K | 30.1 | Very low | 34.5 | Very low | 200 Ų | 200 | 129.5 Ų | 129.5 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | 171.8 | 165 | 129.2 | -94.6 | 170.1 | -179.8 | -179.3 | 0 | 114 | |||||
| 955 | P | 54.8 | Low | 34.8 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | -107.4 | -167.4 | -167.4 | 44.7 | -36 | 0 | 0 | 0 | 112.4 | ||||
| 956 | P | 36.8 | Very low | 35.2 | Very low | 125 Ų | 125 | 123.3 Ų | 123.3 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | -131.7 | 173.7 | 76.2 | 42.6 | -31.2 | 0 | 0 | 0 | 112.3 | |||||
| 957 | G | 25.8 | Very low | 35.4 | Very low | 76 Ų | 76 | 127.4 Ų | 127.4 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | cis | 105.4 | 107.9 | 5.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 958 | G | 27.7 | Very low | 35.5 | Very low | 62 Ų | 62 | 123.3 Ų | 123.3 | 64% | 0.639 | 77% | 0.771 | S | S | * | * | trans | 167.7 | 127.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 959 | F | 33.5 | Very low | 35.7 | Very low | 205 Ų | 205 | 121.7 Ų | 121.7 | 90% | 0.899 | 77% | 0.772 | S | S | * | * | trans | 28.2 | 139.6 | 130.7 | -58.4 | -77.9 | 0 | 0 | 0 | 120.2 | ||||
| 960 | S | 28.4 | Very low | 34.7 | Very low | 96 Ų | 96 | 122.4 Ų | 122.4 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | cis | 162.6 | 165.9 | -14.7 | 48.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 961 | K | 37.4 | Very low | 34.1 | Very low | 189 Ų | 189 | 127.5 Ų | 127.5 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | -56 | 153.1 | 162 | -54.7 | 169.8 | -175.2 | 176 | 0 | 110.2 | ||||
| 962 | P | 43.7 | Very low | 34 | Very low | 122 Ų | 122 | 129 Ų | 129 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | -115.1 | 151.4 | 91 | -5.7 | 25.6 | 0 | 0 | 0 | 111.5 | |||||
| 963 | S | 33.9 | Very low | 34 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | cis | 89.2 | 128.8 | 34.8 | -160.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 964 | G | 35.1 | Very low | 34.2 | Very low | 64 Ų | 64 | 136.9 Ų | 136.9 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | trans | 154.1 | 117.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 965 | L | 37.3 | Very low | 34.3 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | cis | -146.5 | 146.3 | 8.1 | -138.8 | 83.7 | 0 | 0 | 0 | 111.8 | ||||
| 966 | V | 36.2 | Very low | 33.2 | Very low | 105 Ų | 105 | 132 Ų | 132 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | trans | 59.3 | 109.3 | 142.2 | 163.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 967 | N | 33.2 | Very low | 33 | Very low | 155 Ų | 155 | 136.2 Ų | 136.2 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | 49.6 | 148.8 | 123.6 | -44 | -16.3 | 0 | 0 | 0 | 121.1 | |||||
| 968 | G | 30.3 | Very low | 33.1 | Very low | 75 Ų | 75 | 139.2 Ų | 139.2 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | cis | 177.5 | 154.6 | -0.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 969 | G | 30.6 | Very low | 33.1 | Very low | 81 Ų | 81 | 142.6 Ų | 142.6 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -85.3 | 161.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 970 | V | 30.2 | Very low | 32.7 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | trans | -165 | 141.3 | 158.6 | 125.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 971 | R | 35.7 | Very low | 32.9 | Very low | 223 Ų | 223 | 137.4 Ų | 137.4 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | trans | 40.6 | 123.2 | 157.4 | -65.4 | 174 | 175.6 | 155.6 | -2.3 | 122.1 | ||||
| 972 | M | 31.8 | Very low | 32.5 | Very low | 183 Ų | 183 | 139.4 Ų | 139.4 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | 21.6 | 132.4 | 108.1 | -61.9 | -75.5 | -144.2 | 0 | 0 | 118.9 | |||||
| 973 | R | 33.7 | Very low | 32.7 | Very low | 240 Ų | 240 | 138.8 Ų | 138.8 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | 168.1 | 146.1 | 98.2 | -168.6 | 170.4 | -166.7 | 168 | 3.5 | 112.1 | |||||
| 974 | N | 31.4 | Very low | 32.5 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -67.3 | 142.4 | 177.5 | -59.4 | -11.9 | 0 | 0 | 0 | 112.8 | ||||
| 975 | G | 32.9 | Very low | 32.2 | Very low | 80 Ų | 80 | 143.2 Ų | 143.2 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -128 | 118.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 976 | V | 31.4 | Very low | 31.8 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 76% | 0.758 | 78% | 0.779 | S | S | * | * | trans | -117.2 | 156.9 | -177.4 | -171.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 977 | R | 32.3 | Very low | 31.3 | Very low | 214 Ų | 214 | 145 Ų | 145 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | 83.7 | 155.4 | 173.6 | -55.9 | -177.6 | -176 | -83 | -1.9 | 115.1 | ||||
| 978 | Q | 28.7 | Very low | 31.1 | Very low | 140 Ų | 140 | 144 Ų | 144 | 65% | 0.654 | 79% | 0.785 | S | S | * | * | cis | 172.9 | 147 | -23.2 | -169.3 | 176.6 | -4.2 | 0 | 0 | 104.7 | ||||
| 979 | V | 27.1 | Very low | 30.8 | Very low | 132 Ų | 132 | 145.2 Ų | 145.2 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | trans | 68.4 | 156.4 | 179.6 | -155.3 | 0 | 0 | 0 | 0 | 109.9 | V981 | V979-V981 HydrophobicContact CG1-CG2 4.49Š| ||
| 980 | A | 26.4 | Very low | 30.7 | Very low | 79 Ų | 79 | 147.6 Ų | 147.6 | 65% | 0.653 | 78% | 0.776 | S | S | * | * | cis | -140.1 | 150.2 | 19.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 981 | V | 31.2 | Very low | 30.6 | Very low | 114 Ų | 114 | 147.1 Ų | 147.1 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | 64.7 | 111.4 | 98.3 | 178.9 | 0 | 0 | 0 | 0 | 111.8 | V979 | V979-V981 HydrophobicContact CG1-CG2 4.49Š| |||
| 982 | R | 29.1 | Very low | 30.1 | Very low | 231 Ų | 231 | 145.1 Ų | 145.1 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | 62.7 | 168.9 | 70.8 | -82.1 | -171.8 | 177.2 | 116.5 | -5.9 | 113.1 | |||||
| 983 | P | 48.3 | Very low | 29.9 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | cis | -130.8 | 177.1 | -39.5 | 36.7 | -22 | 0 | 0 | 0 | 111.9 | ||||
| 984 | Q | 29.1 | Very low | 29.7 | Very low | 188 Ų | 188 | 136 Ų | 136 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | trans | 177.1 | 149.6 | 149.9 | -101.4 | -179.9 | 31.1 | 0 | 0 | 107.7 | ||||
| 985 | S | 30.2 | Very low | 29.6 | Very low | 91 Ų | 91 | 137.1 Ų | 137.1 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | cis | -147.5 | 125.5 | -12.2 | -68.5 | 0 | 0 | 0 | 0 | 106 | ||||
| 986 | V | 27.6 | Very low | 29.2 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | 76.9 | 98.7 | 73.8 | 170 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 987 | F | 25.5 | Very low | 29 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | trans | 70.4 | 159.4 | 156.9 | -71.6 | -110.9 | 0 | 0 | 0 | 116 | ||||
| 988 | V | 28.9 | Very low | 28.8 | Very low | 135 Ų | 135 | 134.9 Ų | 134.9 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | cis | -125.6 | 160.6 | 29.2 | 176.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 989 | T | 25.1 | Very low | 28.8 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 61% | 0.613 | 74% | 0.741 | S | S | * | * | trans | -87.9 | -162.1 | -179.2 | 49.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 990 | T | 28.9 | Very low | 28.7 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | trans | 80.2 | 138.9 | -179 | 74 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 991 | S | 27.8 | Very low | 28.7 | Very low | 119 Ų | 119 | 140 Ų | 140 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | cis | -151.3 | 169.7 | -7.7 | 36.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 992 | Q | 25.6 | Very low | 28.5 | Very low | 181 Ų | 181 | 137.8 Ų | 137.8 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | trans | -103.7 | -170.7 | -171.8 | -162.6 | 169.6 | -1.4 | 0 | 0 | 112 | ||||
| 993 | T | 27.5 | Very low | 28.4 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 82% | 0.816 | 74% | 0.742 | S | S | * | * | trans | 83.7 | 141 | -178.4 | 77 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 994 | S | 28.5 | Very low | 27.4 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | cis | -136.3 | 141.4 | 7.8 | -61.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 995 | K | 28.5 | Very low | 27.4 | Very low | 176 Ų | 176 | 134.3 Ų | 134.3 | 77% | 0.765 | 74% | 0.736 | S | S | * | * | 46.6 | 135.4 | 96.3 | -71.7 | 177.2 | 144.6 | -78.9 | 0 | 115.1 | |||||
| 996 | D | 25.3 | Very low | 27.4 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 58% | 0.578 | 75% | 0.747 | S | S | * | * | cis | -154.5 | 149 | 1.6 | -108.9 | -42.4 | 0 | 0 | 0 | 108.8 | ||||
| 997 | S | 27 | Very low | 27.6 | Very low | 86 Ų | 86 | 142.2 Ų | 142.2 | 60% | 0.601 | 75% | 0.75 | S | S | * | * | 53.3 | 139 | 93.8 | -51.3 | 0 | 0 | 0 | 0 | 115 | |||||
| 998 | Y | 28.5 | Very low | 27.8 | Very low | 179 Ų | 179 | 142.5 Ų | 142.5 | 70% | 0.702 | 75% | 0.754 | S | S | * | * | cis | -169.7 | 163 | 14.1 | -120.8 | -44.2 | 0 | 0 | 0 | 110.8 | ||||
| 999 | Y | 28.2 | Very low | 28 | Very low | 182 Ų | 182 | 141.6 Ų | 141.6 | 71% | 0.714 | 75% | 0.753 | S | S | * | * | trans | 63.6 | 166.6 | 153.7 | -65.7 | -43.3 | 0 | 0 | 0 | 119.3 | ||||
| 1000 | M | 26.2 | Very low | 28.5 | Very low | 139 Ų | 139 | 145 Ų | 145 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | cis | -170.5 | 142.1 | -22.9 | 167.9 | 73.7 | 94.4 | 0 | 0 | 109.1 | ||||
| 1001 | T | 26.3 | Very low | 28.4 | Very low | 138 Ų | 138 | 141.6 Ų | 141.6 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | trans | 56.7 | 169.8 | 170.6 | 48.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1002 | G | 25.9 | Very low | 28.4 | Very low | 67 Ų | 67 | 146.9 Ų | 146.9 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | cis | 159.8 | 129.7 | -18.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1003 | S | 27.6 | Very low | 28.5 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | 64.4 | 154.5 | 149.6 | -139.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 1004 | L | 27.4 | Very low | 28.5 | Very low | 129 Ų | 129 | 142 Ų | 142 | 68% | 0.675 | 74% | 0.741 | S | S | * | * | trans | 75.8 | 114.4 | 157.5 | -59.5 | 178 | 0 | 0 | 0 | 122.9 | ||||
| 1005 | R | 29.2 | Very low | 28.5 | Very low | 207 Ų | 207 | 143.4 Ų | 143.4 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | 86.5 | 155 | 120.8 | -77.1 | 176.3 | 173.9 | 166.9 | -1.7 | 122.6 | |||||
| 1006 | R | 29.6 | Very low | 28.5 | Very low | 228 Ų | 228 | 145.2 Ų | 145.2 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | trans | 81.7 | 113.5 | 158.8 | -79.2 | 170.9 | -176.6 | 151.3 | -1.7 | 118.8 | ||||
| 1007 | N | 32.7 | Very low | 28.6 | Very low | 156 Ų | 156 | 145 Ų | 145 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | trans | -61.8 | 149.7 | 136.3 | -38.8 | -43.6 | 0 | 0 | 0 | 108.4 | ||||
| 1008 | E | 28.7 | Very low | 28.6 | Very low | 183 Ų | 183 | 146.6 Ų | 146.6 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | -152 | 161.2 | 129.2 | -78.4 | -142 | 144.9 | 0 | 0 | 109 | |||||
| 1009 | S | 33.8 | Very low | 28.6 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -124.2 | 137.5 | 176.9 | -57.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1010 | L | 35.3 | Very low | 28.5 | Very low | 171 Ų | 171 | 138.9 Ų | 138.9 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | trans | -178.7 | 150.5 | 161.9 | -97.5 | 170.3 | 0 | 0 | 0 | 106.8 | ||||
| 1011 | G | 27.8 | Very low | 28.7 | Very low | 60 Ų | 60 | 136.3 Ų | 136.3 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | cis | 154.1 | 150.5 | -8.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1012 | R | 27.9 | Very low | 29 | Very low | 230 Ų | 230 | 135.9 Ų | 135.9 | 87% | 0.868 | 77% | 0.768 | S | S | * | * | trans | 77.2 | 139.9 | 170.4 | -56.9 | -173.4 | 92.7 | 154.8 | 3 | 115.7 | ||||
| 1013 | S | 26.1 | Very low | 29.4 | Very low | 93 Ų | 93 | 141 Ų | 141 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | cis | 77.4 | 141.1 | 47.2 | -85.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1014 | D | 28 | Very low | 29.6 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | cis | -161.2 | 170.5 | 4.5 | -86.8 | -29.2 | 0 | 0 | 0 | 108.2 | ||||
| 1015 | H | 28.8 | Very low | 29.8 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 60% | 0.597 | 78% | 0.775 | S | S | * | * | cis | -165.7 | -178 | -7.5 | -121 | 55.3 | 0 | 0 | 0 | 107.8 | ||||
| 1016 | Y | 29.3 | Very low | 29.8 | Very low | 214 Ų | 214 | 140.2 Ų | 140.2 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | 68.2 | 154.6 | 161.2 | -61.2 | -62.2 | 0 | 0 | 0 | 119.1 | ||||
| 1017 | S | 25.9 | Very low | 30.2 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | cis | -160 | 167.5 | -26.7 | -162.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1018 | S | 27.6 | Very low | 30.2 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -7.8 | 138 | 169.1 | -56.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1019 | G | 27.4 | Very low | 30.3 | Very low | 79 Ų | 79 | 136.3 Ų | 136.3 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | trans | 166.3 | 85.3 | 156.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1020 | S | 27.3 | Very low | 30.4 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | 15.3 | 141.5 | 151.2 | -154.3 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1021 | A | 29.9 | Very low | 30.3 | Very low | 85 Ų | 85 | 138 Ų | 138 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | trans | 66.5 | 146.5 | 154.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1022 | T | 33.7 | Very low | 30.5 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | cis | -161.9 | 136.3 | -13.3 | 18.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1023 | L | 32.6 | Very low | 30.7 | Very low | 176 Ų | 176 | 134.1 Ų | 134.1 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | trans | 158.9 | 158.2 | 143.6 | -90.2 | 158.4 | 0 | 0 | 0 | 112 | ||||
| 1024 | G | 32.9 | Very low | 30.9 | Very low | 77 Ų | 77 | 135.3 Ų | 135.3 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | 87.6 | 36.4 | 151.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1025 | V | 31.4 | Very low | 30.7 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 62% | 0.624 | 79% | 0.791 | S | S | * | * | trans | -120.5 | 125.2 | 173 | 177.8 | 0 | 0 | 0 | 0 | 112.5 | R1027 | V1025-R1027 HydrophobicContact CG1-CG 3.73Š| ||
| 1026 | R | 29.6 | Very low | 31.7 | Very low | 255 Ų | 255 | 139.8 Ų | 139.8 | 96% | 0.962 | 80% | 0.797 | S | S | * | * | trans | -126.5 | 145.1 | 152.7 | -77 | -171.4 | 174.6 | -103.1 | -1.1 | 109.1 | ||||
| 1027 | R | 37.8 | Very low | 31.6 | Very low | 220 Ų | 220 | 138 Ų | 138 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | trans | -129 | 162.8 | -167.4 | -76.4 | 172.8 | 175.9 | 161.1 | -1.8 | 111.8 | V1025 | V1025-R1027 HydrophobicContact CG1-CG 3.73Š| ||
| 1028 | N | 33 | Very low | 31.7 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -64.5 | 153.9 | 169.8 | -28.2 | -47.7 | 0 | 0 | 0 | 111.7 | ||||
| 1029 | A | 31.2 | Very low | 31.7 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -171.1 | 157.4 | 141.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1030 | S | 35 | Very low | 31.9 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -98.5 | 161.6 | 170.8 | -46.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1031 | F | 33.2 | Very low | 31.9 | Very low | 215 Ų | 215 | 144.2 Ų | 144.2 | 94% | 0.943 | 79% | 0.79 | S | S | * | * | 174.4 | -175.6 | 127.2 | -100.4 | -66.4 | 0 | 0 | 0 | 114.5 | |||||
| 1032 | S | 32.2 | Very low | 32 | Very low | 89 Ų | 89 | 144.4 Ų | 144.4 | 62% | 0.622 | 79% | 0.787 | S | S | * | * | trans | -80.4 | 150 | -152.3 | -157.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1033 | T | 31.1 | Very low | 31.8 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | 47.4 | 124.7 | 138.3 | 53.2 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1034 | V | 30.5 | Very low | 31.6 | Very low | 119 Ų | 119 | 144 Ų | 144 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | trans | 91.6 | 108.5 | 130.4 | 172.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1035 | R | 25 | Very low | 31.6 | Very low | 232 Ų | 232 | 151.4 Ų | 151.4 | 88% | 0.875 | 78% | 0.784 | S | S | * | * | trans | 66.3 | 167.6 | 146.1 | -78.6 | -178.4 | 176.1 | 156.3 | -1.7 | 119.7 | ||||
| 1036 | P | 48.9 | Very low | 32.4 | Very low | 110 Ų | 110 | 152.2 Ų | 152.2 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | cis | -144.9 | 163.6 | -40.7 | 41.9 | -25.1 | 0 | 0 | 0 | 117.7 | ||||
| 1037 | H | 27.4 | Very low | 32.7 | Very low | 176 Ų | 176 | 146.3 Ų | 146.3 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | trans | 70.5 | 152.3 | 142.2 | -125 | -75.1 | 0 | 0 | 0 | 125.8 | ||||
| 1038 | V | 28.6 | Very low | 32.2 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | trans | 76.7 | 143.7 | 156.8 | -119.4 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1039 | V | 27.6 | Very low | 32.3 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | 73.5 | 149 | 160 | 177.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1040 | V | 31.5 | Very low | 32.2 | Very low | 121 Ų | 121 | 144.5 Ų | 144.5 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | -176 | 164.1 | -55.6 | 135.1 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1041 | E | 26.6 | Very low | 31.9 | Very low | 178 Ų | 178 | 142.3 Ų | 142.3 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | 83.2 | 163 | 163.3 | -142.2 | 153.1 | -133.5 | 0 | 0 | 119.5 | ||||
| 1042 | S | 31.5 | Very low | 31.8 | Very low | 89 Ų | 89 | 141 Ų | 141 | 62% | 0.622 | 76% | 0.761 | S | S | * | * | -156 | -168.6 | -77.5 | 70.2 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1043 | Q | 30 | Very low | 31.5 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | 78.9 | 149.1 | 168.9 | -54.4 | -152.4 | 34.4 | 0 | 0 | 118.4 | ||||
| 1044 | T | 29.5 | Very low | 31.4 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | cis | -153.2 | 174.6 | -12.2 | 12.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1045 | R | 32.8 | Very low | 31.6 | Very low | 233 Ų | 233 | 140.6 Ų | 140.6 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | trans | -93.1 | 171.3 | 179.3 | -64 | -177.9 | -178.9 | 163 | -2.3 | 113.8 | ||||
| 1046 | P | 47.2 | Very low | 31.7 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | -119.9 | 178 | 104.9 | -5.7 | 26.6 | 0 | 0 | 0 | 113.1 | |||||
| 1047 | V | 35.5 | Very low | 30.9 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | cis | -171.6 | 178.3 | -27.3 | 132.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1048 | E | 29.1 | Very low | 31 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 62% | 0.617 | 77% | 0.772 | S | S | * | * | trans | 116.3 | -163.4 | 151.1 | -152.6 | 51.9 | -39.4 | 0 | 0 | 119.6 | ||||
| 1049 | R | 33.3 | Very low | 30.9 | Very low | 199 Ų | 199 | 133.6 Ų | 133.6 | 75% | 0.751 | 78% | 0.779 | S | S | * | * | trans | -147.7 | 174.6 | -152.8 | -71.7 | 173.8 | -71.2 | 165.1 | 4.8 | 109.3 | ||||
| 1050 | S | 30 | Very low | 30.9 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | cis | -157.9 | -179.5 | 1.3 | -125.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1051 | G | 28.2 | Very low | 30.8 | Very low | 59 Ų | 59 | 133.5 Ų | 133.5 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | cis | 142.5 | 140.5 | -4.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1052 | L | 31.4 | Very low | 30.8 | Very low | 187 Ų | 187 | 130.8 Ų | 130.8 | 98% | 0.979 | 78% | 0.784 | S | S | * | * | trans | 72.3 | 138.5 | 177.9 | -47.4 | 177.5 | 0 | 0 | 0 | 116.2 | ||||
| 1053 | G | 27.1 | Very low | 30.6 | Very low | 72 Ų | 72 | 134 Ų | 134 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | cis | -157.4 | -177.9 | -1.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1054 | C | 28.2 | Very low | 31 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 89% | 0.892 | 80% | 0.795 | S | S | * | * | trans | -159.1 | 168.7 | -168.9 | -122.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1055 | S | 33.8 | Very low | 31.6 | Very low | 116 Ų | 116 | 132 Ų | 132 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | cis | -156.7 | 177.8 | 3.9 | -165.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 1056 | G | 27.8 | Very low | 31.4 | Very low | 71 Ų | 71 | 128.5 Ų | 128.5 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | -172.2 | 140 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1057 | T | 31.6 | Very low | 30.4 | Very low | 145 Ų | 145 | 126.2 Ų | 126.2 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -65.8 | 156.1 | 179.8 | 42.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1058 | A | 29 | Very low | 29.9 | Very low | 78 Ų | 78 | 127.8 Ų | 127.8 | 65% | 0.645 | 79% | 0.789 | S | S | * | * | cis | -165.3 | -175.2 | 2.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1059 | F | 27 | Very low | 29.8 | Very low | 198 Ų | 198 | 127 Ų | 127 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | 92.9 | 148.7 | 163.7 | -66.1 | -78.4 | 0 | 0 | 0 | 120.8 | ||||
| 1060 | S | 28.4 | Very low | 29.5 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | 78.4 | 134.2 | 161.1 | -63.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1061 | T | 29.2 | Very low | 29.3 | Very low | 146 Ų | 146 | 129.7 Ų | 129.7 | 90% | 0.896 | 81% | 0.805 | S | S | * | * | trans | 44.7 | 109 | 158.6 | 54.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1062 | S | 26.8 | Very low | 29.2 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -114.3 | 146.3 | 165.3 | 51.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1063 | N | 25.7 | Very low | 29.1 | Very low | 156 Ų | 156 | 131.6 Ų | 131.6 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | -97.2 | 167.3 | 176.7 | -81 | -41.7 | 0 | 0 | 0 | 111.6 | ||||
| 1064 | V | 38.8 | Very low | 29.2 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 81% | 0.806 | 81% | 0.814 | S | S | * | * | trans | -38.5 | 148 | 152.5 | -67.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1065 | P | 42.1 | Very low | 29.6 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | -150.4 | 149.7 | 85.3 | 38.7 | -20.1 | 0 | 0 | 0 | 118.6 | |||||
| 1066 | D | 30 | Very low | 29.4 | Very low | 160 Ų | 160 | 139 Ų | 139 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | 28.1 | 153 | 134.2 | -146.8 | 7.1 | 0 | 0 | 0 | 125 | ||||
| 1067 | A | 26.1 | Very low | 30 | Very low | 73 Ų | 73 | 144.1 Ų | 144.1 | 60% | 0.603 | 82% | 0.817 | S | S | * | * | trans | 70.1 | 124.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1068 | L | 24.5 | Very low | 29.9 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | 175.2 | 171.3 | 104.5 | -94.5 | 175.5 | 0 | 0 | 0 | 115.4 | |||||
| 1069 | S | 26.2 | Very low | 30.3 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | trans | 92.4 | 163.2 | 155 | -67 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1070 | R | 26.6 | Very low | 30.2 | Very low | 233 Ų | 233 | 141.2 Ų | 141.2 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | -141.5 | 151.4 | -147.5 | -81.4 | -179.4 | 170.2 | 179.6 | -2.3 | 113.9 | ||||
| 1071 | V | 25.7 | Very low | 30.6 | Very low | 137 Ų | 137 | 142 Ų | 142 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | trans | 57 | 119.8 | 144.4 | 175.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 1072 | S | 27.8 | Very low | 30.7 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -153.5 | 171.1 | 132.5 | -161.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1073 | Q | 28.9 | Very low | 30.7 | Very low | 167 Ų | 167 | 147 Ų | 147 | 78% | 0.78 | 81% | 0.813 | S | S | * | * | trans | -111.3 | 144.8 | -176.6 | -57.7 | 171.2 | -8.7 | 0 | 0 | 111.2 | ||||
| 1074 | R | 29 | Very low | 31.5 | Very low | 240 Ų | 240 | 144.3 Ų | 144.3 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | 176.2 | 168.1 | 122.7 | -98.7 | 168.9 | 178.8 | -179.4 | -0.4 | 112.8 | |||||
| 1075 | N | 37.1 | Very low | 31.5 | Very low | 172 Ų | 172 | 146 Ų | 146 | 92% | 0.92 | 80% | 0.801 | S | S | * | * | trans | -66 | 135.8 | -174.7 | -60 | -13.9 | 0 | 0 | 0 | 112.7 | ||||
| 1076 | G | 28.1 | Very low | 31 | Very low | 64 Ų | 64 | 146.1 Ų | 146.1 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | trans | -166.4 | 135 | 164 | 0 | 0 | 0 | 0 | 0 | 110 | P1078 | G1076-P1078 WeakPolarHBondContact O-CD 3.3Š| ||
| 1077 | I | 41.9 | Very low | 31.2 | Very low | 177 Ų | 177 | 144.2 Ų | 144.2 | 91% | 0.908 | 79% | 0.79 | S | S | * | * | trans | -108.4 | 98.3 | 168 | -58.3 | 174.2 | 0 | 0 | 0 | 107.4 | ||||
| 1078 | P | 29.8 | Very low | 31.4 | Very low | 112 Ų | 112 | 147.6 Ų | 147.6 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -95.5 | 131.7 | 163.2 | 33.6 | -28.4 | 0 | 0 | 0 | 110.3 | G1076 | G1076-P1078 WeakPolarHBondContact O-CD 3.3Š| ||
| 1079 | V | 35.4 | Very low | 31.6 | Very low | 144 Ų | 144 | 147.3 Ų | 147.3 | 87% | 0.873 | 79% | 0.785 | S | S | * | * | trans | -60.3 | 134.5 | 162.8 | 171.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1080 | S | 26.3 | Very low | 31.9 | Very low | 105 Ų | 105 | 149 Ų | 149 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -124.8 | 129.9 | 159.7 | -169.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1081 | T | 35.8 | Very low | 31.9 | Very low | 120 Ų | 120 | 146.8 Ų | 146.8 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -32.2 | 138.1 | 167.9 | 48.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1082 | V | 31.9 | Very low | 32.3 | Very low | 138 Ų | 138 | 146.6 Ų | 146.6 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | -140.1 | 143.3 | 51.8 | 178.8 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1083 | R | 26.7 | Very low | 32.5 | Very low | 234 Ų | 234 | 148.1 Ų | 148.1 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | trans | -149.4 | 158.1 | 159.3 | -94.9 | -169 | 173 | -168.8 | 0.2 | 107.6 | ||||
| 1084 | P | 41.7 | Very low | 32.6 | Very low | 101 Ų | 101 | 147.7 Ų | 147.7 | 66% | 0.656 | 77% | 0.773 | S | S | * | * | cis | -144.1 | 152.2 | -30.7 | 37.3 | -19.8 | 0 | 0 | 0 | 115.8 | ||||
| 1085 | K | 38.9 | Very low | 32.8 | Very low | 169 Ų | 169 | 141.8 Ų | 141.8 | 74% | 0.735 | 76% | 0.759 | S | S | * | * | trans | 66.1 | 170.8 | 150.3 | -80.6 | -179.8 | 178.1 | -177.4 | 0 | 116.8 | I1087 | K1085-I1087 HydrophobicContact CD-CD1 3.79Å; K1085-I1087 HydrophobicContact CD-CG1 4.05Å; K1085-I1087 HydrophobicContact CG-CD1 4.49Å; K1085-I1087 HydrophobicContact CG-CG1 4.21Å | ||
| 1086 | P | 32.6 | Very low | 32.5 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | cis | -85.4 | 167.5 | 4.8 | 42.1 | -39.4 | 0 | 0 | 0 | 112.7 | ||||
| 1087 | I | 33.9 | Very low | 33.4 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | cis | 69.5 | 98.9 | 38.6 | -60.5 | -173.5 | 0 | 0 | 0 | 113.7 | K1085 | K1085-I1087 HydrophobicContact CD-CD1 3.79Å; K1085-I1087 HydrophobicContact CD-CG1 4.05Å; K1085-I1087 HydrophobicContact CG-CD1 4.49Å; K1085-I1087 HydrophobicContact CG-CG1 4.21Å | ||
| 1088 | E | 30.2 | Very low | 33.3 | Very low | 145 Ų | 145 | 136.7 Ų | 136.7 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | -155 | 123 | 125.6 | -77.4 | -125.8 | 127.4 | 0 | 0 | 107.1 | |||||
| 1089 | K | 29 | Very low | 34.5 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | 70.3 | 123.2 | 110.6 | -64.4 | 177.7 | -176.9 | 152.7 | 0 | 116.6 | |||||
| 1090 | N | 32 | Very low | 36.3 | Very low | 152 Ų | 152 | 137 Ų | 137 | 81% | 0.813 | 71% | 0.705 | S | S | * | * | trans | 30.3 | 102.7 | 156.7 | -59.7 | 2.3 | 0 | 0 | 0 | 118.6 | ||||
| 1091 | Q | 28 | Very low | 39 | Very low | 186 Ų | 186 | 133 Ų | 133 | 87% | 0.869 | 68% | 0.677 | S | S | * | * | trans | -108.8 | 130.8 | 144.9 | -71.8 | -170.7 | -1.8 | 0 | 0 | 109.2 | ||||
| 1092 | L | 33.8 | Very low | 41.5 | Very low | 134 Ų | 134 | 128.1 Ų | 128.1 | 70% | 0.702 | 65% | 0.645 | S | S | * | * | trans | -69.3 | 164.6 | 176.7 | -80 | 65.6 | 0 | 0 | 0 | 110 | H1094 | L1092-H1094 VanDerWaalsContact C-N 3.25Å; L1092-H1094 PolarHBondContact O-N 2.7Å | ||
| 1093 | I | 32.3 | Very low | 44.3 | Very low | 152 Ų | 152 | 123.4 Ų | 123.4 | 78% | 0.779 | 62% | 0.616 | S | S | * | * | trans | -66.4 | 92 | 162.7 | -57.7 | 174 | 0 | 0 | 0 | 107.3 | N1095 | I1093-N1095 PolarHBondContact O-N 3.08Š| ||
| 1094 | H | 29.6 | Very low | 47.3 | Very low | 157 Ų | 157 | 112.3 Ų | 112.3 | 73% | 0.727 | 58% | 0.575 | S | S | * | * | trans | -67.7 | 85.7 | 166.3 | -82.5 | -81.3 | 0 | 0 | 0 | 108.7 | L1092 N1096 | L1092-H1094 VanDerWaalsContact C-N 3.25Å; L1092-H1094 PolarHBondContact O-N 2.7Å; H1094-N1096 PolarHBondContact O-N 3.01Å | ||
| 1095 | N | 33.1 | Very low | 49.6 | Very low | 117 Ų | 117 | 111.9 Ų | 111.9 | 63% | 0.626 | 57% | 0.566 | S | S | * | * | trans | -52.1 | 138.6 | 161.2 | -79 | -33.4 | 0 | 0 | 0 | 108.4 | I1093 L1097 | I1093-N1095 PolarHBondContact O-N 3.08Å; N1095-L1097 HydrophobicContact CB-CD1 3.76Å; N1095-L1097 PolarHBondContact O-N 3.35Å | ||
| 1096 | N | 31.8 | Very low | 51.7 | Low | 171 Ų | 171 | 105.3 Ų | 105.3 | 91% | 0.914 | 54% | 0.543 | S | S | * | . | trans | -72.5 | 78.2 | 165.1 | -80.7 | -98.3 | 0 | 0 | 0 | 107.9 | H1094 G1098 | H1094-N1096 PolarHBondContact O-N 3.01Å; N1096-G1098 PolarHBondContact O-N 3.26Å | ||
| 1097 | L | 45.9 | Very low | 54.3 | Low | 84 Ų | 84 | 104.3 Ų | 104.3 | 44% | 0.44 | 53% | 0.531 | S | S | . | . | trans | -66.1 | 90.4 | 161.2 | -103 | 66.1 | 0 | 0 | 0 | 107.3 | N1095 V1125 | N1095-L1097 HydrophobicContact CB-CD1 3.76Å; N1095-L1097 PolarHBondContact O-N 3.35Å; L1097-V1125 VanDerWaalsContact CD2-O 3.27Å; L1097-V1125 WeakPolarHBondContact CD2-O 3.17Å | ||
| 1098 | G | 40.7 | Very low | 56.9 | Low | 50 Ų | 50 | 100.5 Ų | 100.5 | 52% | 0.515 | 51% | 0.509 | S | S | . | . | trans | -49.7 | 142.7 | 138.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | N1096 D1100 | N1096-G1098 PolarHBondContact O-N 3.26Å; G1098-D1100 PolarHBondContact O-N 2.9Å | ||
| 1099 | R | 55.4 | Low | 59.2 | Low | 206 Ų | 206 | 104.6 Ų | 104.6 | 78% | 0.777 | 52% | 0.519 | S | S | * | . | trans | -72.6 | 78.9 | -171.2 | -65.1 | 179.2 | -85.9 | -158.5 | -8.6 | 110 | V1101 E1124 | R1099-V1101 VanDerWaalsContact C-N 3.34Å; R1099-V1101 PolarHBondContact O-N 3.24Å; R1099-E1124 WeakPolarHBondContact CB-OE1 3.15Å; R1099-E1124 WeakPolarHBondContact CD-OE1 3.29Å; R1099-E1124 WeakPolarHBondContact CG-OE1 3.36Å | ||
| 1100 | D | 73.4 | Confident | 61.8 | Low | 56 Ų | 56 | 98.2 Ų | 98.2 | 30% | 0.299 | 50% | 0.498 | S | S | . | . | trans | -65.4 | 95.1 | 174 | -77.2 | -14.8 | 0 | 0 | 0 | 107.9 | G1098 Y1102 R1128 | G1098-D1100 PolarHBondContact O-N 2.9Å; D1100-Y1102 HydrophobicContact CB-CD2 4.4Å; D1100-Y1102 HydrophobicContact CB-CE2 3.69Å; D1100-Y1102 VanDerWaalsContact O-CD2 3.31Å; D1100-Y1102 WeakPolarHBondContact O-CD2 3.42Å; D1100-R1128 IonicContact OD2-CZ 2.77Å; D1100-R1128 IonicContact OD2-NH1 3.89Å; D1100-R1128 PolarHBondContact OD2-NH1 2.7Å; D1100-R1128 IonicContact OD2-NH2 3.65Å; D1100-R1128 PolarHBondContact OD2-NH2 2.62Å | ||
| 1101 | V | 82.8 | Confident | 64.1 | Low | 23 Ų | 23 | 96 Ų | 96 | 14% | 0.139 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 135.3 | 171.3 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | R1099 C1122 K1157 | R1099-V1101 VanDerWaalsContact C-N 3.34Å; R1099-V1101 PolarHBondContact O-N 3.24Å; V1101-C1122 HydrophobicContact CG1-CB 4.02Å; V1101-K1157 HydrophobicContact CB-CB 4.32Å; V1101-K1157 HydrophobicContact CB-CD 4.4Å; V1101-K1157 HydrophobicContact CG1-CB 4.33Å; V1101-K1157 HydrophobicContact CG1-CD 3.82Å; V1101-K1157 WeakPolarHBondContact O-CB 3.45Å; V1101-K1157 PolarHBondContact O-N 3.18Å |
| 1102 | Y | 88.6 | Confident | 66.2 | Low | 17 Ų | 17 | 96.7 Ų | 96.7 | 7% | 0.067 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 162.1 | 172.7 | -70.6 | -108.6 | 0 | 0 | 0 | 109.2 | D1100 C1122 L1123 V1125 R1128 W1134 L1154 E1155 R1156 | D1100-Y1102 HydrophobicContact CB-CD2 4.4Å; D1100-Y1102 HydrophobicContact CB-CE2 3.69Å; D1100-Y1102 VanDerWaalsContact O-CD2 3.31Å; D1100-Y1102 WeakPolarHBondContact O-CD2 3.42Å; Y1102-C1122 CarbonylContact O-C 3.59Å; Y1102-C1122 WeakPolarHBondContact O-CA 3.47Å; Y1102-L1123 PolarHBondContact N-O 2.83Å; Y1102-L1123 PolarHBondContact O-N 2.86Å; Y1102-V1125 HydrophobicContact CD2-CB 4.29Å; Y1102-V1125 HydrophobicContact CD2-CG2 3.26Å; Y1102-V1125 HydrophobicContact CE2-CB 4.24Å; Y1102-V1125 HydrophobicContact CE2-CG2 3.51Å; Y1102-V1125 HydrophobicContact CG-CG2 4Å; Y1102-R1128 PolarHBondContact OH-NH2 2.71Å; Y1102-W1134 AromaticContact CD1-CZ3 3.94Å; Y1102-W1134 HydrophobicContact CD1-CZ3 3.94Å; Y1102-W1134 AromaticContact CE1-CH2 3.98Å; Y1102-W1134 HydrophobicContact CE1-CH2 3.98Å; Y1102-W1134 AromaticContact CE1-CZ3 3.48Å; Y1102-W1134 HydrophobicContact CE1-CZ3 3.48Å; Y1102-W1134 VanDerWaalsContact CE1-CZ3 3.48Å; Y1102-W1134 HydrophobicContact CE2-CZ3 4.26Å; Y1102-W1134 AromaticContact CZ-CZ3 3.67Å; Y1102-L1154 HydrophobicContact CD1-CB 3.95Å; Y1102-L1154 HydrophobicContact CG-CB 4.36Å; Y1102-E1155 CarbonylContact C-O 3.6Å; Y1102-E1155 WeakPolarHBondContact CA-O 3.43Å; Y1102-E1155 WeakPolarHBondContact CB-O 3.15Å; Y1102-E1155 VanDerWaalsContact CD1-C 3.41Å; Y1102-E1155 WeakPolarHBondContact CD1-O 3.48Å; Y1102-R1156 VanDerWaalsContact CD1-CA 3.4Å; Y1102-R1156 HydrophobicContact CD1-CB 3.87Å; Y1102-R1156 HydrophobicContact CD1-CG 4.48Å; Y1102-R1156 VanDerWaalsContact CD1-N 3.31Å; Y1102-R1156 HydrophobicContact CE1-CB 3.51Å; Y1102-R1156 HydrophobicContact CE1-CG 4.07Å; Y1102-R1156 HydrophobicContact CE2-CG 4.23Å; Y1102-R1156 HydrophobicContact CG-CB 4.48Å |
| 1103 | V | 89.9 | Confident | 68.2 | Low | 38 Ų | 38 | 98.5 Ų | 98.5 | 23% | 0.23 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 137 | 171.2 | -174.6 | 0 | 0 | 0 | 0 | 107.2 | T1121 E1155 K1157 | V1103-T1121 WeakPolarHBondContact CA-O 3.22Å; V1103-E1155 PolarHBondContact N-O 2.81Å; V1103-E1155 PolarHBondContact O-N 3.1Å; V1103-K1157 HydrophobicContact CG2-CB 4.03Å; V1103-K1157 HydrophobicContact CG2-CD 3.78Å; V1103-K1157 HydrophobicContact CG2-CG 3.81Å |
| 1104 | S | 90.4 | Very high | 70.6 | Confident | 2 Ų | 2 | 92.2 Ų | 92.2 | 1% | 0.014 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 131.1 | 172.8 | 45.2 | 0 | 0 | 0 | 0 | 111.5 | F1117 T1118 G1120 T1121 Y1153 | S1104-F1117 VanDerWaalsContact CB-CE2 3.43Å; S1104-T1118 PolarHBondContact OG-O 2.74Å; S1104-G1120 PolarHBondContact O-N 3.23Å; S1104-G1120 PolarHBondContact OG-N 3.15Å; S1104-T1121 PolarHBondContact N-O 2.88Å; S1104-T1121 VanDerWaalsContact N-O 3.09Å; S1104-T1121 WeakPolarHBondContact OG-CB 3.43Å; S1104-T1121 PolarHBondContact OG-N 3.18Å; S1104-T1121 PolarHBondContact OG-O 2.95Å; S1104-Y1153 CarbonylContact C-O 3.45Å; S1104-Y1153 VanDerWaalsContact CA-O 3.23Å; S1104-Y1153 WeakPolarHBondContact CA-O 3.22Å |
| 1105 | I | 88.7 | Confident | 73.3 | Confident | 91 Ų | 91 | 85.5 Ų | 85.5 | 47% | 0.467 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -99.7 | 6 | -178.1 | 61 | 165.6 | 0 | 0 | 0 | 113.8 | Y1153 E1155 | I1105-Y1153 WeakPolarHBondContact CG1-O 3.49Å; I1105-Y1153 PolarHBondContact N-O 2.76Å; I1105-E1155 HydrophobicContact CG2-CB 3.62Å |
| 1106 | A | 84.5 | Confident | 75.7 | Confident | 32 Ų | 32 | 81.8 Ų | 81.8 | 26% | 0.264 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -163 | 160.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110 | Y1153 | A1106-Y1153 HydrophobicContact CB-CD1 3.88Å; A1106-Y1153 HydrophobicContact CB-CE1 4.06Å |
| 1107 | D | 87.1 | Confident | 78.4 | Confident | 100 Ų | 100 | 74.2 Ų | 74.2 | 54% | 0.535 | 38% | 0.381 | S | S | . | . | trans | -62.8 | 132.6 | 167.4 | -86 | 6.2 | 0 | 0 | 0 | 111.4 | T1118 E1119 | D1107-T1118 WeakPolarHBondContact OD1-CA 3.45Å; D1107-T1118 VanDerWaalsContact OD1-CB 3.27Å; D1107-T1118 WeakPolarHBondContact OD1-CB 3.48Å; D1107-E1119 PolarHBondContact OD1-N 2.85Å | ||
| 1108 | Y | 86.9 | Confident | 80.3 | Confident | 39 Ų | 39 | 74.3 Ų | 74.3 | 15% | 0.153 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -127.1 | 113.6 | 170.5 | -179.9 | -111.3 | 0 | 0 | 0 | 110.2 | G1110 T1114 G1116 F1117 W1133 P1150 Y1153 | Y1108-G1110 VanDerWaalsContact CE1-CA 3.49Å; Y1108-G1110 PolarHBondContact O-N 3.1Å; Y1108-T1114 PolarHBondContact OH-OG1 2.95Å; Y1108-T1114 VanDerWaalsContact OH-OG1 3.14Å; Y1108-G1116 CarbonylContact O-C 3.54Å; Y1108-G1116 WeakPolarHBondContact O-CA 3.45Å; Y1108-F1117 VanDerWaalsContact CB-CE2 3.5Å; Y1108-F1117 HydrophobicContact CD1-CD1 4.12Å; Y1108-F1117 AromaticContact CD1-CE1 3.51Å; Y1108-F1117 HydrophobicContact CD1-CE1 3.51Å; Y1108-F1117 AromaticContact CD1-CZ 3.97Å; Y1108-F1117 HydrophobicContact CD1-CZ 3.97Å; Y1108-F1117 AromaticContact CG-CE1 3.91Å; Y1108-F1117 HydrophobicContact CG-CE1 3.91Å; Y1108-F1117 AromaticContact CG-CZ 3.87Å; Y1108-F1117 HydrophobicContact CG-CZ 3.87Å; Y1108-F1117 PolarHBondContact N-O 3.35Å; Y1108-F1117 PolarHBondContact O-N 3.09Å; Y1108-F1117 VanDerWaalsContact O-O 3.1Å; Y1108-W1133 WeakPolarHBondContact OH-CH2 3.4Å; Y1108-P1150 HydrophobicContact CD1-CG 4.34Å; Y1108-P1150 HydrophobicContact CD2-CG 4.02Å; Y1108-P1150 HydrophobicContact CE1-CG 4.32Å; Y1108-P1150 HydrophobicContact CE2-CG 4.03Å; Y1108-P1150 HydrophobicContact CG-CG 4.2Å; Y1108-Y1153 HydrophobicContact CD2-CE1 4.31Å |
| 1109 | R | 79.7 | Confident | 82.4 | Confident | 231 Ų | 231 | 78 Ų | 78 | 87% | 0.872 | 39% | 0.389 | S | S | * | . | trans | -81.9 | 95.3 | 166.5 | -66.3 | -165.5 | -172.3 | -72.7 | -5.8 | 108.7 | ||||
| 1110 | G | 83.4 | Confident | 83.7 | Confident | 25 Ų | 25 | 70.3 Ų | 70.3 | 26% | 0.258 | 37% | 0.373 | S | S | . | . | trans | -66.1 | 159.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y1108 T1114 | Y1108-G1110 VanDerWaalsContact CE1-CA 3.49Å; Y1108-G1110 PolarHBondContact O-N 3.1Å; G1110-T1114 WeakPolarHBondContact CA-O 3.45Å; G1110-T1114 VanDerWaalsContact CA-OG1 3.29Å; G1110-T1114 WeakPolarHBondContact CA-OG1 3.32Å | ||
| 1111 | D | 80.9 | Confident | 84.4 | Confident | 105 Ų | 105 | 68.5 Ų | 68.5 | 56% | 0.561 | 36% | 0.364 | S | S | * | . | trans | -98.7 | -150 | 179.4 | 51.9 | 28.7 | 0 | 0 | 0 | 110.9 | E1113 T1114 | D1111-E1113 VanDerWaalsContact C-N 3.35Å; D1111-E1113 PolarHBondContact OD1-N 3.49Å; D1111-T1114 PolarHBondContact N-OG1 3.15Å; D1111-T1114 WeakPolarHBondContact OD1-CB 3.37Å; D1111-T1114 PolarHBondContact OD1-N 2.95Å; D1111-T1114 PolarHBondContact OD1-OG1 3.18Å | ||
| 1112 | E | 71.4 | Confident | 84.7 | Confident | 201 Ų | 201 | 67.8 Ų | 67.8 | 94% | 0.939 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -79.2 | -16.9 | 179 | -58.3 | -167.1 | 160.3 | 0 | 0 | 113.2 | ||
| 1113 | E | 75.2 | Confident | 84.8 | Confident | 171 Ų | 171 | 67 Ų | 67 | 80% | 0.799 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -107 | -23.4 | -179.3 | -59.1 | -166.1 | 160 | 0 | 0 | 113.1 | D1111 | D1111-E1113 VanDerWaalsContact C-N 3.35Å; D1111-E1113 PolarHBondContact OD1-N 3.49Å |
| 1114 | T | 83.9 | Confident | 84.8 | Confident | 20 Ų | 20 | 66.9 Ų | 66.9 | 12% | 0.123 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -113.2 | 142.3 | -175.6 | 61.8 | 0 | 0 | 0 | 0 | 112.1 | Y1108 G1110 D1111 G1116 W1133 W1148 | Y1108-T1114 PolarHBondContact OH-OG1 2.95Å; Y1108-T1114 VanDerWaalsContact OH-OG1 3.14Å; G1110-T1114 WeakPolarHBondContact CA-O 3.45Å; G1110-T1114 VanDerWaalsContact CA-OG1 3.29Å; G1110-T1114 WeakPolarHBondContact CA-OG1 3.32Å; D1111-T1114 PolarHBondContact N-OG1 3.15Å; D1111-T1114 WeakPolarHBondContact OD1-CB 3.37Å; D1111-T1114 PolarHBondContact OD1-N 2.95Å; D1111-T1114 PolarHBondContact OD1-OG1 3.18Å; T1114-G1116 PolarHBondContact O-N 2.87Å; T1114-W1133 HydrophobicContact CG2-CE3 4.27Å; T1114-W1133 HydrophobicContact CG2-CH2 3.81Å; T1114-W1133 HydrophobicContact CG2-CZ3 3.48Å; T1114-W1133 VanDerWaalsContact CG2-CZ3 3.48Å; T1114-W1148 CarbonylContact C-O 3.49Å; T1114-W1148 WeakPolarHBondContact CA-O 3.2Å |
| 1115 | M | 84.9 | Confident | 84.8 | Confident | 16 Ų | 16 | 66.9 Ų | 66.9 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | trans | -82.9 | 114.2 | -176.2 | -179.4 | 170.9 | 65 | 0 | 0 | 111 | F1117 L1123 C1136 V1138 R1145 W1148 V1149 | M1115-F1117 VanDerWaalsContact O-CD1 3.26Å; M1115-F1117 WeakPolarHBondContact O-CD1 3.43Å; M1115-L1123 HydrophobicContact CE-CD2 3.54Å; M1115-C1136 HydrophobicContact CE-CB 4.24Å; M1115-C1136 VanDerWaalsContact CE-O 3.27Å; M1115-C1136 WeakPolarHBondContact CE-O 3.13Å; M1115-V1138 HydrophobicContact CE-CG2 3.91Å; M1115-V1138 HydrophobicContact SD-CG2 3.78Å; M1115-R1145 HydrophobicContact SD-CB 3.82Å; M1115-W1148 PolarHBondContact N-O 2.74Å; M1115-V1149 HydrophobicContact CB-CG1 3.98Å; M1115-V1149 HydrophobicContact CE-CG1 3.81Å; M1115-V1149 WeakPolarHBondContact O-CG1 3.29Å | ||
| 1116 | G | 84.3 | Confident | 84.6 | Confident | 39 Ų | 39 | 65.8 Ų | 65.8 | 40% | 0.402 | 35% | 0.348 | S | S | . | . | trans | -69.2 | 143 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y1108 T1114 | Y1108-G1116 CarbonylContact O-C 3.54Å; Y1108-G1116 WeakPolarHBondContact O-CA 3.45Å; T1114-G1116 PolarHBondContact O-N 2.87Å | ||
| 1117 | F | 88.8 | Confident | 84.6 | Confident | 13 Ų | 13 | 69.2 Ų | 69.2 | 6% | 0.057 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -147.9 | 152.1 | 177.2 | 52.4 | -94 | 0 | 0 | 0 | 109.9 | S1104 Y1108 M1115 T1121 L1123 V1149 Y1153 L1154 | S1104-F1117 VanDerWaalsContact CB-CE2 3.43Å; Y1108-F1117 VanDerWaalsContact CB-CE2 3.5Å; Y1108-F1117 HydrophobicContact CD1-CD1 4.12Å; Y1108-F1117 AromaticContact CD1-CE1 3.51Å; Y1108-F1117 HydrophobicContact CD1-CE1 3.51Å; Y1108-F1117 AromaticContact CD1-CZ 3.97Å; Y1108-F1117 HydrophobicContact CD1-CZ 3.97Å; Y1108-F1117 AromaticContact CG-CE1 3.91Å; Y1108-F1117 HydrophobicContact CG-CE1 3.91Å; Y1108-F1117 AromaticContact CG-CZ 3.87Å; Y1108-F1117 HydrophobicContact CG-CZ 3.87Å; Y1108-F1117 PolarHBondContact N-O 3.35Å; Y1108-F1117 PolarHBondContact O-N 3.09Å; Y1108-F1117 VanDerWaalsContact O-O 3.1Å; M1115-F1117 VanDerWaalsContact O-CD1 3.26Å; M1115-F1117 WeakPolarHBondContact O-CD1 3.43Å; F1117-T1121 HydrophobicContact CB-CG2 4.32Å; F1117-L1123 HydrophobicContact CB-CD1 4.47Å; F1117-L1123 HydrophobicContact CD1-CD1 4.2Å; F1117-L1123 HydrophobicContact CD2-CD1 4.42Å; F1117-L1123 HydrophobicContact CG-CD1 4.09Å; F1117-V1149 HydrophobicContact CD1-CB 4.31Å; F1117-V1149 HydrophobicContact CD1-CG1 3.66Å; F1117-V1149 HydrophobicContact CE1-CB 3.63Å; F1117-V1149 HydrophobicContact CE1-CG1 3.46Å; F1117-V1149 VanDerWaalsContact CE1-CG1 3.46Å; F1117-V1149 HydrophobicContact CZ-CB 4.48Å; F1117-Y1153 HydrophobicContact CE2-CD1 4.36Å; F1117-Y1153 HydrophobicContact CZ-CD1 4.42Å; F1117-Y1153 HydrophobicContact CZ-CG 4.27Å; F1117-L1154 HydrophobicContact CZ-CD2 4.49Å |
| 1118 | T | 85.3 | Confident | 84.6 | Confident | 85 Ų | 85 | 69.3 Ų | 69.3 | 52% | 0.521 | 35% | 0.352 | S | S | . | . | trans | -88.3 | 164.6 | 170 | 55 | 0 | 0 | 0 | 0 | 110.6 | S1104 D1107 T1121 | S1104-T1118 PolarHBondContact OG-O 2.74Å; D1107-T1118 WeakPolarHBondContact OD1-CA 3.45Å; D1107-T1118 VanDerWaalsContact OD1-CB 3.27Å; D1107-T1118 WeakPolarHBondContact OD1-CB 3.48Å; T1118-T1121 PolarHBondContact N-OG1 3.39Å; T1118-T1121 WeakPolarHBondContact O-CB 3.36Å; T1118-T1121 PolarHBondContact O-N 3.06Å; T1118-T1121 PolarHBondContact O-OG1 2.92Å; T1118-T1121 PolarHBondContact OG1-OG1 2.93Å | ||
| 1119 | E | 85.5 | Confident | 84.4 | Confident | 129 Ų | 129 | 69.5 Ų | 69.5 | 60% | 0.603 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 146.3 | 165.2 | -167.1 | 174.6 | 146.9 | 0 | 0 | 111.3 | D1107 T1121 | D1107-E1119 PolarHBondContact OD1-N 2.85Å; E1119-T1121 VanDerWaalsContact C-N 3.29Å; E1119-T1121 PolarHBondContact O-N 2.84Å |
| 1120 | G | 82.7 | Confident | 84.2 | Confident | 44 Ų | 44 | 65.4 Ų | 65.4 | 45% | 0.454 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -2.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | S1104 C1122 | S1104-G1120 PolarHBondContact O-N 3.23Å; S1104-G1120 PolarHBondContact OG-N 3.15Å; G1120-C1122 PolarHBondContact O-N 3.24Å |
| 1121 | T | 87.5 | Confident | 83.9 | Confident | 18 Ų | 18 | 69.3 Ų | 69.3 | 11% | 0.11 | 37% | 0.374 | C | S | . | . | trans | -70.7 | 125.2 | 179.8 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | V1103 S1104 F1117 T1118 E1119 L1123 V1138 | V1103-T1121 WeakPolarHBondContact CA-O 3.22Å; S1104-T1121 PolarHBondContact N-O 2.88Å; S1104-T1121 VanDerWaalsContact N-O 3.09Å; S1104-T1121 WeakPolarHBondContact OG-CB 3.43Å; S1104-T1121 PolarHBondContact OG-N 3.18Å; S1104-T1121 PolarHBondContact OG-O 2.95Å; F1117-T1121 HydrophobicContact CB-CG2 4.32Å; T1118-T1121 PolarHBondContact N-OG1 3.39Å; T1118-T1121 WeakPolarHBondContact O-CB 3.36Å; T1118-T1121 PolarHBondContact O-N 3.06Å; T1118-T1121 PolarHBondContact O-OG1 2.92Å; T1118-T1121 PolarHBondContact OG1-OG1 2.93Å; E1119-T1121 VanDerWaalsContact C-N 3.29Å; E1119-T1121 PolarHBondContact O-N 2.84Å; T1121-L1123 HydrophobicContact CG2-CG 4.31Å; T1121-V1138 HydrophobicContact CG2-CG1 3.63Å; T1121-V1138 HydrophobicContact CG2-CG2 4.23Å | ||
| 1122 | C | 88.6 | Confident | 84 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 5% | 0.047 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 130 | 173 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | V1101 Y1102 G1120 Q1139 D1140 K1157 | V1101-C1122 HydrophobicContact CG1-CB 4.02Å; Y1102-C1122 CarbonylContact O-C 3.59Å; Y1102-C1122 WeakPolarHBondContact O-CA 3.47Å; G1120-C1122 PolarHBondContact O-N 3.24Å; C1122-Q1139 HydrophobicContact CB-CB 4.16Å; C1122-Q1139 PolarHBondContact O-N 2.93Å; C1122-D1140 WeakPolarHBondContact CB-OD2 3.27Å; C1122-D1140 PolarHBondContact N-OD2 3.18Å; C1122-D1140 PolarHBondContact SG-OD2 3.23Å; C1122-K1157 PolarHBondContact SG-NZ 2.82Å |
| 1123 | L | 90.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 117.4 | -172.2 | -76 | 159.6 | 0 | 0 | 0 | 110.3 | Y1102 M1115 F1117 T1121 C1136 Q1137 V1138 L1154 | Y1102-L1123 PolarHBondContact N-O 2.83Å; Y1102-L1123 PolarHBondContact O-N 2.86Å; M1115-L1123 HydrophobicContact CE-CD2 3.54Å; F1117-L1123 HydrophobicContact CB-CD1 4.47Å; F1117-L1123 HydrophobicContact CD1-CD1 4.2Å; F1117-L1123 HydrophobicContact CD2-CD1 4.42Å; F1117-L1123 HydrophobicContact CG-CD1 4.09Å; T1121-L1123 HydrophobicContact CG2-CG 4.31Å; L1123-C1136 HydrophobicContact CB-CB 4.28Å; L1123-C1136 HydrophobicContact CD2-CB 3.94Å; L1123-Q1137 CarbonylContact C-O 3.54Å; L1123-Q1137 WeakPolarHBondContact CA-O 3.45Å; L1123-V1138 HydrophobicContact CD2-CB 4.43Å; L1123-V1138 HydrophobicContact CD2-CG2 3.69Å; L1123-L1154 HydrophobicContact CD1-CD2 3.44Å; L1123-L1154 VanDerWaalsContact CD1-CD2 3.44Å |
| 1124 | E | 90 | Very high | 85.7 | Confident | 36 Ų | 36 | 53.7 Ų | 53.7 | 17% | 0.168 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 119 | 173.4 | -177.7 | 168.1 | -161.4 | 0 | 0 | 109.4 | R1099 L1126 C1136 Q1137 | R1099-E1124 WeakPolarHBondContact CB-OE1 3.15Å; R1099-E1124 WeakPolarHBondContact CD-OE1 3.29Å; R1099-E1124 WeakPolarHBondContact CG-OE1 3.36Å; E1124-L1126 PolarHBondContact O-N 2.87Å; E1124-C1136 CarbonylContact O-C 3.5Å; E1124-C1136 VanDerWaalsContact O-CA 3.31Å; E1124-C1136 WeakPolarHBondContact O-CA 3.43Å; E1124-Q1137 PolarHBondContact N-O 2.96Å; E1124-Q1137 PolarHBondContact O-N 3.09Å |
| 1125 | V | 90.1 | Very high | 86 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 119.1 | -177.3 | 179.6 | 0 | 0 | 0 | 0 | 110.3 | L1097 Y1102 R1128 W1134 | L1097-V1125 VanDerWaalsContact CD2-O 3.27Å; L1097-V1125 WeakPolarHBondContact CD2-O 3.17Å; Y1102-V1125 HydrophobicContact CD2-CB 4.29Å; Y1102-V1125 HydrophobicContact CD2-CG2 3.26Å; Y1102-V1125 HydrophobicContact CE2-CB 4.24Å; Y1102-V1125 HydrophobicContact CE2-CG2 3.51Å; Y1102-V1125 HydrophobicContact CG-CG2 4Å; V1125-R1128 HydrophobicContact CG1-CG 3.46Å; V1125-R1128 VanDerWaalsContact CG1-CG 3.46Å; V1125-W1134 HydrophobicContact CG1-CB 4.23Å; V1125-W1134 HydrophobicContact CG1-CD2 4.42Å; V1125-W1134 HydrophobicContact CG1-CE3 4.15Å; V1125-W1134 HydrophobicContact CG1-CG 4.49Å; V1125-W1134 HydrophobicContact CG2-CE3 3.76Å; V1125-W1134 HydrophobicContact CG2-CZ3 4.28Å |
| 1126 | L | 85.2 | Confident | 86.3 | Confident | 67 Ų | 67 | 55.4 Ų | 55.4 | 35% | 0.351 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -39.2 | 179.5 | -57.6 | 178.3 | 0 | 0 | 0 | 112.2 | E1124 Y1135 Q1137 K1146 | E1124-L1126 PolarHBondContact O-N 2.87Å; L1126-Y1135 WeakPolarHBondContact CA-O 3.36Å; L1126-Y1135 HydrophobicContact CB-CD1 4.18Å; L1126-Y1135 WeakPolarHBondContact CB-O 3.45Å; L1126-Y1135 HydrophobicContact CD1-CD1 4.01Å; L1126-Y1135 HydrophobicContact CD1-CE1 4.15Å; L1126-Y1135 PolarHBondContact N-O 2.79Å; L1126-Q1137 HydrophobicContact CD1-CB 4.11Å; L1126-Q1137 HydrophobicContact CG-CB 4.46Å; L1126-K1146 HydrophobicContact CD1-CD 3.91Å |
| 1127 | E | 84.7 | Confident | 86.5 | Confident | 105 Ų | 105 | 55.7 Ų | 55.7 | 49% | 0.491 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 148.7 | 178.2 | -169.5 | 169 | -162.5 | 0 | 0 | 111 | W1134 Y1135 | E1127-W1134 CarbonylContact O-C 3.54Å; E1127-W1134 VanDerWaalsContact O-CA 3.3Å; E1127-W1134 WeakPolarHBondContact O-CA 3.36Å; E1127-W1134 WeakPolarHBondContact O-CB 3.42Å; E1127-Y1135 PolarHBondContact N-O 3.32Å; E1127-Y1135 PolarHBondContact O-N 2.81Å |
| 1128 | R | 87.9 | Confident | 86.5 | Confident | 102 Ų | 102 | 55.7 Ų | 55.7 | 39% | 0.385 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 101.7 | -178.5 | -64.1 | -175.8 | -169.5 | 158.8 | 9.1 | 111 | D1100 Y1102 V1125 W1134 | D1100-R1128 IonicContact OD2-CZ 2.77Å; D1100-R1128 IonicContact OD2-NH1 3.89Å; D1100-R1128 PolarHBondContact OD2-NH1 2.7Å; D1100-R1128 IonicContact OD2-NH2 3.65Å; D1100-R1128 PolarHBondContact OD2-NH2 2.62Å; Y1102-R1128 PolarHBondContact OH-NH2 2.71Å; V1125-R1128 HydrophobicContact CG1-CG 3.46Å; V1125-R1128 VanDerWaalsContact CG1-CG 3.46Å; R1128-W1134 HydrophobicContact CB-CD2 4.41Å; R1128-W1134 HydrophobicContact CB-CG 4.18Å; R1128-W1134 HydrophobicContact CG-CD2 3.85Å; R1128-W1134 HydrophobicContact CG-CE3 4.43Å; R1128-W1134 HydrophobicContact CG-CG 3.92Å |
| 1129 | N | 81.9 | Confident | 86.3 | Confident | 43 Ų | 43 | 56 Ų | 56 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | trans | -80.8 | 145.7 | 174.5 | -60.1 | -18.3 | 0 | 0 | 0 | 111 | N1131 G1132 W1133 W1148 | N1129-N1131 WeakPolarHBondContact CB-OD1 3.33Å; N1129-N1131 PolarHBondContact O-N 2.83Å; N1129-G1132 PolarHBondContact O-N 2.94Å; N1129-W1133 WeakPolarHBondContact CB-O 3.46Å; N1129-W1133 PolarHBondContact N-O 2.93Å; N1129-W1133 VanDerWaalsContact N-O 3.09Å; N1129-W1148 WeakPolarHBondContact ND2-CH2 3.34Å; N1129-W1148 WeakPolarHBondContact ND2-CZ3 3.28Å | ||
| 1130 | P | 75.3 | Confident | 85.2 | Confident | 144 Ų | 144 | 54.8 Ų | 54.8 | 94% | 0.935 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -2.8 | 178.6 | 31.2 | -36.5 | 0 | 0 | 0 | 113.9 | G1132 | P1130-G1132 VanDerWaalsContact C-N 3.33Š|
| 1131 | N | 77.8 | Confident | 83.9 | Confident | 107 Ų | 107 | 54.9 Ų | 54.9 | 57% | 0.572 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 2.6 | 175.6 | 71 | -14.3 | 0 | 0 | 0 | 113.7 | N1129 W1133 | N1129-N1131 WeakPolarHBondContact CB-OD1 3.33Å; N1129-N1131 PolarHBondContact O-N 2.83Å; N1131-W1133 PolarHBondContact OD1-N 2.89Å; N1131-W1133 VanDerWaalsContact OD1-N 3.11Å |
| 1132 | G | 83.5 | Confident | 82.4 | Confident | 22 Ų | 22 | 62.7 Ų | 62.7 | 23% | 0.227 | 32% | 0.321 | C | S | . | . | S | Bend | trans | 89.9 | 8.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | N1129 P1130 S1151 | N1129-G1132 PolarHBondContact O-N 2.94Å; P1130-G1132 VanDerWaalsContact C-N 3.33Å; G1132-S1151 WeakPolarHBondContact CA-OG 3.41Å; G1132-S1151 PolarHBondContact O-N 3.12Å; G1132-S1151 PolarHBondContact O-OG 2.89Å |
| 1133 | W | 89.6 | Confident | 80.6 | Confident | 82 Ų | 82 | 68.3 Ų | 68.3 | 31% | 0.311 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 124.1 | 173.4 | -68.2 | 89.4 | 0 | 0 | 0 | 110.9 | Y1108 T1114 N1129 N1131 W1148 P1150 | Y1108-W1133 WeakPolarHBondContact OH-CH2 3.4Å; T1114-W1133 HydrophobicContact CG2-CE3 4.27Å; T1114-W1133 HydrophobicContact CG2-CH2 3.81Å; T1114-W1133 HydrophobicContact CG2-CZ3 3.48Å; T1114-W1133 VanDerWaalsContact CG2-CZ3 3.48Å; N1129-W1133 WeakPolarHBondContact CB-O 3.46Å; N1129-W1133 PolarHBondContact N-O 2.93Å; N1129-W1133 VanDerWaalsContact N-O 3.09Å; N1131-W1133 PolarHBondContact OD1-N 2.89Å; N1131-W1133 VanDerWaalsContact OD1-N 3.11Å; W1133-W1148 HydrophobicContact CB-CE3 4.17Å; W1133-W1148 HydrophobicContact CE3-CB 4.18Å; W1133-P1150 HydrophobicContact CE3-CB 4.42Å; W1133-P1150 HydrophobicContact CH2-CB 4.34Å; W1133-P1150 HydrophobicContact CZ3-CB 4.2Å; W1133-P1150 HydrophobicContact CZ3-CG 4.34Å |
| 1134 | W | 92 | Very high | 79.5 | Confident | 45 Ų | 45 | 72.5 Ų | 72.5 | 17% | 0.17 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 142.9 | 178.6 | -64.5 | -3.3 | 0 | 0 | 0 | 109.5 | Y1102 V1125 E1127 R1128 W1148 V1149 L1154 | Y1102-W1134 AromaticContact CD1-CZ3 3.94Å; Y1102-W1134 HydrophobicContact CD1-CZ3 3.94Å; Y1102-W1134 AromaticContact CE1-CH2 3.98Å; Y1102-W1134 HydrophobicContact CE1-CH2 3.98Å; Y1102-W1134 AromaticContact CE1-CZ3 3.48Å; Y1102-W1134 HydrophobicContact CE1-CZ3 3.48Å; Y1102-W1134 VanDerWaalsContact CE1-CZ3 3.48Å; Y1102-W1134 HydrophobicContact CE2-CZ3 4.26Å; Y1102-W1134 AromaticContact CZ-CZ3 3.67Å; V1125-W1134 HydrophobicContact CG1-CB 4.23Å; V1125-W1134 HydrophobicContact CG1-CD2 4.42Å; V1125-W1134 HydrophobicContact CG1-CE3 4.15Å; V1125-W1134 HydrophobicContact CG1-CG 4.49Å; V1125-W1134 HydrophobicContact CG2-CE3 3.76Å; V1125-W1134 HydrophobicContact CG2-CZ3 4.28Å; E1127-W1134 CarbonylContact O-C 3.54Å; E1127-W1134 VanDerWaalsContact O-CA 3.3Å; E1127-W1134 WeakPolarHBondContact O-CA 3.36Å; E1127-W1134 WeakPolarHBondContact O-CB 3.42Å; R1128-W1134 HydrophobicContact CB-CD2 4.41Å; R1128-W1134 HydrophobicContact CB-CG 4.18Å; R1128-W1134 HydrophobicContact CG-CD2 3.85Å; R1128-W1134 HydrophobicContact CG-CE3 4.43Å; R1128-W1134 HydrophobicContact CG-CG 3.92Å; W1134-W1148 WeakPolarHBondContact O-CA 2.99Å; W1134-V1149 PolarHBondContact N-O 2.78Å; W1134-V1149 VanDerWaalsContact O-CG2 3.31Å; W1134-V1149 WeakPolarHBondContact O-CG2 3.36Å; W1134-V1149 PolarHBondContact O-N 3.23Å; W1134-L1154 HydrophobicContact CE3-CD1 3.8Å; W1134-L1154 HydrophobicContact CZ3-CD1 4.31Å |
| 1135 | Y | 89.7 | Confident | 78.9 | Confident | 73 Ų | 73 | 78.7 Ų | 78.7 | 29% | 0.286 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 117.4 | 174.9 | -164.1 | -106.9 | 0 | 0 | 0 | 108 | L1126 E1127 K1146 G1147 W1148 | L1126-Y1135 WeakPolarHBondContact CA-O 3.36Å; L1126-Y1135 HydrophobicContact CB-CD1 4.18Å; L1126-Y1135 WeakPolarHBondContact CB-O 3.45Å; L1126-Y1135 HydrophobicContact CD1-CD1 4.01Å; L1126-Y1135 HydrophobicContact CD1-CE1 4.15Å; L1126-Y1135 PolarHBondContact N-O 2.79Å; E1127-Y1135 PolarHBondContact N-O 3.32Å; E1127-Y1135 PolarHBondContact O-N 2.81Å; Y1135-K1146 HydrophobicContact CE1-CB 3.99Å; Y1135-K1146 HydrophobicContact CE1-CD 4.19Å; Y1135-K1146 WeakPolarHBondContact OH-CB 3.16Å; Y1135-G1147 VanDerWaalsContact CE2-CA 3.47Å; Y1135-W1148 AromaticContact CD2-CD2 3.82Å; Y1135-W1148 HydrophobicContact CD2-CD2 3.82Å; Y1135-W1148 AromaticContact CD2-CE2 3.7Å; Y1135-W1148 HydrophobicContact CD2-CE3 4.28Å; Y1135-W1148 HydrophobicContact CD2-CG 4.13Å; Y1135-W1148 HydrophobicContact CD2-CH2 4.46Å; Y1135-W1148 HydrophobicContact CD2-CZ2 4.05Å; Y1135-W1148 AromaticContact CD2-NE1 3.96Å; Y1135-W1148 HydrophobicContact CG-CZ2 4.47Å |
| 1136 | C | 91.4 | Very high | 78.9 | Confident | 0 Ų | 0 | 83.4 Ų | 83.4 | 0% | 0 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 155.4 | -171.5 | -65.1 | 0 | 0 | 0 | 0 | 112 | M1115 L1123 E1124 K1146 G1147 V1149 | M1115-C1136 HydrophobicContact CE-CB 4.24Å; M1115-C1136 VanDerWaalsContact CE-O 3.27Å; M1115-C1136 WeakPolarHBondContact CE-O 3.13Å; L1123-C1136 HydrophobicContact CB-CB 4.28Å; L1123-C1136 HydrophobicContact CD2-CB 3.94Å; E1124-C1136 CarbonylContact O-C 3.5Å; E1124-C1136 VanDerWaalsContact O-CA 3.31Å; E1124-C1136 WeakPolarHBondContact O-CA 3.43Å; C1136-K1146 VanDerWaalsContact O-CA 3.28Å; C1136-K1146 WeakPolarHBondContact O-CA 3.35Å; C1136-G1147 PolarHBondContact N-O 2.71Å; C1136-G1147 PolarHBondContact O-N 2.81Å; C1136-G1147 VanDerWaalsContact O-N 3.13Å; C1136-V1149 HydrophobicContact CB-CG2 3.62Å; C1136-V1149 WeakPolarHBondContact SG-CG2 3.44Å |
| 1137 | Q | 89.1 | Confident | 79 | Confident | 44 Ų | 44 | 80.6 Ų | 80.6 | 21% | 0.206 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 129.8 | 172.3 | 179.3 | 179.8 | -36.9 | 0 | 0 | 109.9 | L1123 E1124 L1126 P1144 R1145 K1146 | L1123-Q1137 CarbonylContact C-O 3.54Å; L1123-Q1137 WeakPolarHBondContact CA-O 3.45Å; E1124-Q1137 PolarHBondContact N-O 2.96Å; E1124-Q1137 PolarHBondContact O-N 3.09Å; L1126-Q1137 HydrophobicContact CD1-CB 4.11Å; L1126-Q1137 HydrophobicContact CG-CB 4.46Å; Q1137-P1144 HydrophobicContact CG-CB 4.38Å; Q1137-R1145 CarbonylContact C-O 3.54Å; Q1137-R1145 VanDerWaalsContact CA-O 3.3Å; Q1137-R1145 WeakPolarHBondContact CA-O 3.22Å; Q1137-K1146 HydrophobicContact CB-CG 4.02Å; Q1137-K1146 HydrophobicContact CG-CG 4.03Å |
| 1138 | V | 88.6 | Confident | 79.3 | Confident | 14 Ų | 14 | 79.3 Ų | 79.3 | 9% | 0.085 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 132.7 | 172.9 | -178.1 | 0 | 0 | 0 | 0 | 109.8 | M1115 T1121 L1123 S1141 R1145 | M1115-V1138 HydrophobicContact CE-CG2 3.91Å; M1115-V1138 HydrophobicContact SD-CG2 3.78Å; T1121-V1138 HydrophobicContact CG2-CG1 3.63Å; T1121-V1138 HydrophobicContact CG2-CG2 4.23Å; L1123-V1138 HydrophobicContact CD2-CB 4.43Å; L1123-V1138 HydrophobicContact CD2-CG2 3.69Å; V1138-S1141 WeakPolarHBondContact CB-OG 3.44Å; V1138-S1141 WeakPolarHBondContact CG1-OG 3.2Å; V1138-R1145 HydrophobicContact CG2-CB 4.38Å; V1138-R1145 PolarHBondContact N-O 3.32Å |
| 1139 | Q | 79.8 | Confident | 79.4 | Confident | 91 Ų | 91 | 74.4 Ų | 74.4 | 43% | 0.425 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -100.6 | -28.6 | -176.9 | -169.1 | 168.1 | 81.9 | 0 | 0 | 113.3 | C1122 | C1122-Q1139 HydrophobicContact CB-CB 4.16Å; C1122-Q1139 PolarHBondContact O-N 2.93Å |
| 1140 | D | 63.4 | Low | 79.8 | Confident | 104 Ų | 104 | 73 Ų | 73 | 56% | 0.556 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -87 | -7.4 | -178.5 | -64.7 | -48.9 | 0 | 0 | 0 | 114.5 | C1122 | C1122-D1140 WeakPolarHBondContact CB-OD2 3.27Å; C1122-D1140 PolarHBondContact N-OD2 3.18Å; C1122-D1140 PolarHBondContact SG-OD2 3.23Å |
| 1141 | S | 56.1 | Low | 80.4 | Confident | 45 Ų | 45 | 67.1 Ų | 67.1 | 32% | 0.315 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -94.6 | 133.1 | -177.1 | 59.9 | 0 | 0 | 0 | 0 | 112.7 | V1138 L1143 | V1138-S1141 WeakPolarHBondContact CB-OG 3.44Å; V1138-S1141 WeakPolarHBondContact CG1-OG 3.2Å; S1141-L1143 CarbonylContact O-C 3.57Å; S1141-L1143 PolarHBondContact O-N 2.95Å; S1141-L1143 PolarHBondContact OG-O 2.75Å |
| 1142 | L | 54.7 | Low | 81 | Confident | 182 Ų | 182 | 68.5 Ų | 68.5 | 95% | 0.953 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -58.4 | -10.3 | 178.2 | -65.4 | 172.7 | 0 | 0 | 0 | 114.9 | ||
| 1143 | L | 52 | Low | 81.1 | Confident | 125 Ų | 125 | 71.6 Ų | 71.6 | 65% | 0.654 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -120.4 | 126.5 | 165.1 | -68.7 | 168.8 | 0 | 0 | 0 | 107.9 | S1141 R1145 | S1141-L1143 CarbonylContact O-C 3.57Å; S1141-L1143 PolarHBondContact O-N 2.95Å; S1141-L1143 PolarHBondContact OG-O 2.75Å; L1143-R1145 PolarHBondContact O-N 3.44Å |
| 1144 | P | 66.3 | Low | 81.1 | Confident | 88 Ų | 88 | 68.4 Ų | 68.4 | 57% | 0.571 | 34% | 0.336 | S | S | * | . | trans | -74.6 | 90.3 | -179.4 | 29.8 | -34.4 | 0 | 0 | 0 | 110.7 | Q1137 | Q1137-P1144 HydrophobicContact CG-CB 4.38Š| ||
| 1145 | R | 77.8 | Confident | 80.9 | Confident | 167 Ų | 167 | 70.7 Ų | 70.7 | 63% | 0.63 | 35% | 0.348 | S | S | * | . | trans | -75 | 143.6 | 173.6 | -67.4 | -174.9 | 175.3 | -170.9 | -2.7 | 110.4 | M1115 Q1137 V1138 L1143 | M1115-R1145 HydrophobicContact SD-CB 3.82Å; Q1137-R1145 CarbonylContact C-O 3.54Å; Q1137-R1145 VanDerWaalsContact CA-O 3.3Å; Q1137-R1145 WeakPolarHBondContact CA-O 3.22Å; V1138-R1145 HydrophobicContact CG2-CB 4.38Å; V1138-R1145 PolarHBondContact N-O 3.32Å; L1143-R1145 PolarHBondContact O-N 3.44Å | ||
| 1146 | K | 89.6 | Confident | 80.8 | Confident | 101 Ų | 101 | 74.1 Ų | 74.1 | 44% | 0.439 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 146.4 | 176.5 | -59.5 | -170.4 | 180 | -152.8 | 0 | 110.5 | L1126 Y1135 C1136 Q1137 | L1126-K1146 HydrophobicContact CD1-CD 3.91Å; Y1135-K1146 HydrophobicContact CE1-CB 3.99Å; Y1135-K1146 HydrophobicContact CE1-CD 4.19Å; Y1135-K1146 WeakPolarHBondContact OH-CB 3.16Å; C1136-K1146 VanDerWaalsContact O-CA 3.28Å; C1136-K1146 WeakPolarHBondContact O-CA 3.35Å; Q1137-K1146 HydrophobicContact CB-CG 4.02Å; Q1137-K1146 HydrophobicContact CG-CG 4.03Å |
| 1147 | G | 87.9 | Confident | 80.1 | Confident | 8 Ų | 8 | 79.1 Ų | 79.1 | 8% | 0.082 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.2 | 179.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y1135 C1136 | Y1135-G1147 VanDerWaalsContact CE2-CA 3.47Å; C1136-G1147 PolarHBondContact N-O 2.71Å; C1136-G1147 PolarHBondContact O-N 2.81Å; C1136-G1147 VanDerWaalsContact O-N 3.13Å |
| 1148 | W | 91.3 | Very high | 78.4 | Confident | 78 Ų | 78 | 87.9 Ų | 87.9 | 30% | 0.295 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 135.1 | 175.7 | -66 | 106.2 | 0 | 0 | 0 | 111 | T1114 M1115 N1129 W1133 W1134 Y1135 | T1114-W1148 CarbonylContact C-O 3.49Å; T1114-W1148 WeakPolarHBondContact CA-O 3.2Å; M1115-W1148 PolarHBondContact N-O 2.74Å; N1129-W1148 WeakPolarHBondContact ND2-CH2 3.34Å; N1129-W1148 WeakPolarHBondContact ND2-CZ3 3.28Å; W1133-W1148 HydrophobicContact CB-CE3 4.17Å; W1133-W1148 HydrophobicContact CE3-CB 4.18Å; W1134-W1148 WeakPolarHBondContact O-CA 2.99Å; Y1135-W1148 AromaticContact CD2-CD2 3.82Å; Y1135-W1148 HydrophobicContact CD2-CD2 3.82Å; Y1135-W1148 AromaticContact CD2-CE2 3.7Å; Y1135-W1148 HydrophobicContact CD2-CE3 4.28Å; Y1135-W1148 HydrophobicContact CD2-CG 4.13Å; Y1135-W1148 HydrophobicContact CD2-CH2 4.46Å; Y1135-W1148 HydrophobicContact CD2-CZ2 4.05Å; Y1135-W1148 AromaticContact CD2-NE1 3.96Å; Y1135-W1148 HydrophobicContact CG-CZ2 4.47Å |
| 1149 | V | 90.4 | Very high | 77.9 | Confident | 0 Ų | 0 | 91.6 Ų | 91.6 | 0% | 0 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 144.9 | 178.3 | -64.5 | 0 | 0 | 0 | 0 | 110.4 | M1115 F1117 W1134 C1136 S1151 L1154 | M1115-V1149 HydrophobicContact CB-CG1 3.98Å; M1115-V1149 HydrophobicContact CE-CG1 3.81Å; M1115-V1149 WeakPolarHBondContact O-CG1 3.29Å; F1117-V1149 HydrophobicContact CD1-CB 4.31Å; F1117-V1149 HydrophobicContact CD1-CG1 3.66Å; F1117-V1149 HydrophobicContact CE1-CB 3.63Å; F1117-V1149 HydrophobicContact CE1-CG1 3.46Å; F1117-V1149 VanDerWaalsContact CE1-CG1 3.46Å; F1117-V1149 HydrophobicContact CZ-CB 4.48Å; W1134-V1149 PolarHBondContact N-O 2.78Å; W1134-V1149 VanDerWaalsContact O-CG2 3.31Å; W1134-V1149 WeakPolarHBondContact O-CG2 3.36Å; W1134-V1149 PolarHBondContact O-N 3.23Å; C1136-V1149 HydrophobicContact CB-CG2 3.62Å; C1136-V1149 WeakPolarHBondContact SG-CG2 3.44Å; V1149-S1151 PolarHBondContact O-N 3.05Å; V1149-L1154 HydrophobicContact CG2-CD1 3.83Å |
| 1150 | P | 89.6 | Confident | 77.8 | Confident | 14 Ų | 14 | 91.6 Ų | 91.6 | 9% | 0.091 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 123.3 | 179.1 | 28.6 | -33.3 | 0 | 0 | 0 | 110.7 | Y1108 W1133 N1152 Y1153 | Y1108-P1150 HydrophobicContact CD1-CG 4.34Å; Y1108-P1150 HydrophobicContact CD2-CG 4.02Å; Y1108-P1150 HydrophobicContact CE1-CG 4.32Å; Y1108-P1150 HydrophobicContact CE2-CG 4.03Å; Y1108-P1150 HydrophobicContact CG-CG 4.2Å; W1133-P1150 HydrophobicContact CE3-CB 4.42Å; W1133-P1150 HydrophobicContact CH2-CB 4.34Å; W1133-P1150 HydrophobicContact CZ3-CB 4.2Å; W1133-P1150 HydrophobicContact CZ3-CG 4.34Å; P1150-N1152 PolarHBondContact O-N 3.29Å; P1150-N1152 VanDerWaalsContact O-N 3.08Å; P1150-Y1153 HydrophobicContact CB-CD2 3.92Å; P1150-Y1153 HydrophobicContact CB-CE2 4.41Å; P1150-Y1153 HydrophobicContact CG-CD2 3.48Å; P1150-Y1153 VanDerWaalsContact CG-CD2 3.48Å; P1150-Y1153 HydrophobicContact CG-CE2 4.01Å; P1150-Y1153 HydrophobicContact CG-CG 4Å; P1150-Y1153 PolarHBondContact O-N 3.15Å |
| 1151 | S | 88.6 | Confident | 78.6 | Confident | 20 Ų | 20 | 90.9 Ų | 90.9 | 14% | 0.14 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -61.5 | -23.4 | -175.5 | 64.2 | 0 | 0 | 0 | 0 | 114 | G1132 V1149 Y1153 L1154 | G1132-S1151 WeakPolarHBondContact CA-OG 3.41Å; G1132-S1151 PolarHBondContact O-N 3.12Å; G1132-S1151 PolarHBondContact O-OG 2.89Å; V1149-S1151 PolarHBondContact O-N 3.05Å; S1151-Y1153 PolarHBondContact O-N 2.71Å; S1151-L1154 PolarHBondContact O-N 3.07Å |
| 1152 | N | 89.8 | Confident | 80 | Confident | 136 Ų | 136 | 93.6 Ų | 93.6 | 73% | 0.727 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -68 | -15.7 | 178.6 | -62.4 | -7 | 0 | 0 | 0 | 113 | P1150 | P1150-N1152 PolarHBondContact O-N 3.29Å; P1150-N1152 VanDerWaalsContact O-N 3.08Å |
| 1153 | Y | 86.7 | Confident | 81.6 | Confident | 87 Ų | 87 | 88.1 Ų | 88.1 | 34% | 0.341 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -95.4 | 4.7 | 177.7 | -74.1 | -113 | 0 | 0 | 0 | 112.3 | S1104 I1105 A1106 Y1108 F1117 P1150 S1151 | S1104-Y1153 CarbonylContact C-O 3.45Å; S1104-Y1153 VanDerWaalsContact CA-O 3.23Å; S1104-Y1153 WeakPolarHBondContact CA-O 3.22Å; I1105-Y1153 WeakPolarHBondContact CG1-O 3.49Å; I1105-Y1153 PolarHBondContact N-O 2.76Å; A1106-Y1153 HydrophobicContact CB-CD1 3.88Å; A1106-Y1153 HydrophobicContact CB-CE1 4.06Å; Y1108-Y1153 HydrophobicContact CD2-CE1 4.31Å; F1117-Y1153 HydrophobicContact CE2-CD1 4.36Å; F1117-Y1153 HydrophobicContact CZ-CD1 4.42Å; F1117-Y1153 HydrophobicContact CZ-CG 4.27Å; P1150-Y1153 HydrophobicContact CB-CD2 3.92Å; P1150-Y1153 HydrophobicContact CB-CE2 4.41Å; P1150-Y1153 HydrophobicContact CG-CD2 3.48Å; P1150-Y1153 VanDerWaalsContact CG-CD2 3.48Å; P1150-Y1153 HydrophobicContact CG-CE2 4.01Å; P1150-Y1153 HydrophobicContact CG-CG 4Å; P1150-Y1153 PolarHBondContact O-N 3.15Å; S1151-Y1153 PolarHBondContact O-N 2.71Å |
| 1154 | L | 89.2 | Confident | 83.5 | Confident | 15 Ų | 15 | 85.6 Ų | 85.6 | 8% | 0.079 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 117.5 | -172.7 | -55.2 | -178 | 0 | 0 | 0 | 112.3 | Y1102 F1117 L1123 W1134 V1149 S1151 | Y1102-L1154 HydrophobicContact CD1-CB 3.95Å; Y1102-L1154 HydrophobicContact CG-CB 4.36Å; F1117-L1154 HydrophobicContact CZ-CD2 4.49Å; L1123-L1154 HydrophobicContact CD1-CD2 3.44Å; L1123-L1154 VanDerWaalsContact CD1-CD2 3.44Å; W1134-L1154 HydrophobicContact CE3-CD1 3.8Å; W1134-L1154 HydrophobicContact CZ3-CD1 4.31Å; V1149-L1154 HydrophobicContact CG2-CD1 3.83Å; S1151-L1154 PolarHBondContact O-N 3.07Å |
| 1155 | E | 87.8 | Confident | 84.8 | Confident | 93 Ų | 93 | 85.4 Ų | 85.4 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 142.1 | 163.6 | -176.9 | 168.9 | -176.3 | 0 | 0 | 110.6 | Y1102 V1103 I1105 K1157 K1158 | Y1102-E1155 CarbonylContact C-O 3.6Å; Y1102-E1155 WeakPolarHBondContact CA-O 3.43Å; Y1102-E1155 WeakPolarHBondContact CB-O 3.15Å; Y1102-E1155 VanDerWaalsContact CD1-C 3.41Å; Y1102-E1155 WeakPolarHBondContact CD1-O 3.48Å; V1103-E1155 PolarHBondContact N-O 2.81Å; V1103-E1155 PolarHBondContact O-N 3.1Å; I1105-E1155 HydrophobicContact CG2-CB 3.62Å; E1155-K1157 PolarHBondContact O-N 3.43Å; E1155-K1158 IonicContact OE1-NZ 3.48Å; E1155-K1158 PolarHBondContact OE1-NZ 2.89Å |
| 1156 | R | 87.7 | Confident | 85.3 | Confident | 144 Ų | 144 | 79.2 Ų | 79.2 | 54% | 0.543 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 123.7 | 176.2 | -169.2 | 178.9 | 59.5 | -163.6 | -5.3 | 110.2 | Y1102 K1158 | Y1102-R1156 VanDerWaalsContact CD1-CA 3.4Å; Y1102-R1156 HydrophobicContact CD1-CB 3.87Å; Y1102-R1156 HydrophobicContact CD1-CG 4.48Å; Y1102-R1156 VanDerWaalsContact CD1-N 3.31Å; Y1102-R1156 HydrophobicContact CE1-CB 3.51Å; Y1102-R1156 HydrophobicContact CE1-CG 4.07Å; Y1102-R1156 HydrophobicContact CE2-CG 4.23Å; Y1102-R1156 HydrophobicContact CG-CB 4.48Å; R1156-K1158 PolarHBondContact O-N 2.82Å |
| 1157 | K | 76.3 | Confident | 84.9 | Confident | 106 Ų | 106 | 77.3 Ų | 77.3 | 46% | 0.461 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 123.2 | 172.6 | -153.9 | 168.7 | -175.6 | 174.1 | 0 | 108 | V1101 V1103 C1122 E1155 | V1101-K1157 HydrophobicContact CB-CB 4.32Å; V1101-K1157 HydrophobicContact CB-CD 4.4Å; V1101-K1157 HydrophobicContact CG1-CB 4.33Å; V1101-K1157 HydrophobicContact CG1-CD 3.82Å; V1101-K1157 WeakPolarHBondContact O-CB 3.45Å; V1101-K1157 PolarHBondContact O-N 3.18Å; V1103-K1157 HydrophobicContact CG2-CB 4.03Å; V1103-K1157 HydrophobicContact CG2-CD 3.78Å; V1103-K1157 HydrophobicContact CG2-CG 3.81Å; C1122-K1157 PolarHBondContact SG-NZ 2.82Å; E1155-K1157 PolarHBondContact O-N 3.43Å |
| 1158 | K | 54.2 | Low | 84.7 | Confident | 227 Ų | 227 | 83.6 Ų | 83.6 | 99% | 0.987 | 37% | 0.373 | S | S | * | . | trans | -85.4 | 0 | -174.8 | -60.6 | -174 | -173.7 | 80.3 | 0 | 111.4 | E1155 R1156 | E1155-K1158 IonicContact OE1-NZ 3.48Å; E1155-K1158 PolarHBondContact OE1-NZ 2.89Å; R1156-K1158 PolarHBondContact O-N 2.82Å |
Retrieved 1,158 of 1,158 residues in 354.6 ms
(Link to these results)