| 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 | 46.3 | Very low | 41.2 | Very low | 243 Ų | 243 | 169.8 Ų | 169.8 | 100% | 1.197 | 84% | 0.843 | S | S | * | * | 0 | 110.2 | 0 | -73.5 | -179.1 | 153.9 | 0 | 0 | 107.9 | |||||
| 2 | S | 39.6 | Very low | 40.9 | Very low | 118 Ų | 118 | 166.8 Ų | 166.8 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | -74.1 | 119.6 | -172.5 | 31.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 3 | R | 41.6 | Very low | 41.4 | Very low | 242 Ų | 242 | 160.8 Ų | 160.8 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | trans | -76.9 | 120.6 | 169.5 | -79.9 | -179.5 | 171 | 170.7 | -2.8 | 108.9 | ||||
| 4 | V | 40.5 | Very low | 41.5 | Very low | 136 Ų | 136 | 159.3 Ų | 159.3 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | -85 | 106 | 169.8 | 179.2 | 0 | 0 | 0 | 0 | 106.8 | S6 | V4-S6 PolarHBondContact O-N 3.37Š| ||
| 5 | E | 41.1 | Very low | 41.9 | Very low | 165 Ų | 165 | 154.1 Ų | 154.1 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | trans | -77.2 | 106.8 | 169.9 | -75 | -176.4 | 162.1 | 0 | 0 | 109.4 | R7 | E5-R7 PolarHBondContact O-N 3.45Å; E5-R7 VanDerWaalsContact O-N 3.14Å | ||
| 6 | S | 40.2 | Very low | 42.3 | Very low | 107 Ų | 107 | 149.3 Ų | 149.3 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | trans | -73 | 98.7 | 167.3 | 45.9 | 0 | 0 | 0 | 0 | 109.1 | V4 I8 | V4-S6 PolarHBondContact O-N 3.37Å; S6-I8 PolarHBondContact O-N 3.3Å | ||
| 7 | R | 41.7 | Very low | 42.6 | Very low | 219 Ų | 219 | 142.4 Ų | 142.4 | 83% | 0.826 | 70% | 0.702 | S | S | * | * | trans | -66.4 | 107.5 | 169.7 | -68.5 | -180 | 179.2 | 180 | -1.2 | 109.2 | E5 V9 | E5-R7 PolarHBondContact O-N 3.45Å; E5-R7 VanDerWaalsContact O-N 3.14Å; R7-V9 PolarHBondContact O-N 2.96Å | ||
| 8 | I | 39.4 | Very low | 42.9 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 78% | 0.779 | 67% | 0.671 | S | S | * | * | trans | -70.9 | 104.9 | 168.3 | -63.8 | 170.5 | 0 | 0 | 0 | 107 | S6 K10 | S6-I8 PolarHBondContact O-N 3.3Å; I8-K10 PolarHBondContact O-N 2.79Å; I8-K10 VanDerWaalsContact O-N 3.12Å | ||
| 9 | V | 40.9 | Very low | 43.3 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 77% | 0.77 | 64% | 0.638 | S | S | * | * | trans | -69.3 | 103 | 172.7 | 178.9 | 0 | 0 | 0 | 0 | 107.6 | R7 Q11 | R7-V9 PolarHBondContact O-N 2.96Å; V9-Q11 PolarHBondContact O-N 3.47Å; V9-Q11 VanDerWaalsContact O-N 3.12Å | ||
| 10 | K | 40.6 | Very low | 43.4 | Very low | 177 Ų | 177 | 124.5 Ų | 124.5 | 77% | 0.77 | 62% | 0.615 | S | S | * | * | trans | -63.1 | 109.2 | 169.7 | -70.5 | -178.5 | 178.2 | 178.7 | 0 | 108.1 | I8 H12 | I8-K10 PolarHBondContact O-N 2.79Å; I8-K10 VanDerWaalsContact O-N 3.12Å; K10-H12 PolarHBondContact O-N 3.07Å | ||
| 11 | Q | 41.3 | Very low | 43.6 | Very low | 182 Ų | 182 | 119 Ų | 119 | 85% | 0.85 | 59% | 0.589 | S | S | * | * | trans | -71.1 | 113.2 | 170.2 | -70 | -172.4 | -18.9 | 0 | 0 | 108.4 | V9 | V9-Q11 PolarHBondContact O-N 3.47Å; V9-Q11 VanDerWaalsContact O-N 3.12Å | ||
| 12 | H | 37.8 | Very low | 43.5 | Very low | 133 Ų | 133 | 111.6 Ų | 111.6 | 62% | 0.616 | 55% | 0.547 | S | S | * | . | trans | -73.8 | 134.6 | 173.4 | -76.7 | -92.9 | 0 | 0 | 0 | 110.2 | K10 F14 | K10-H12 PolarHBondContact O-N 3.07Å; H12-F14 PolarHBondContact O-N 3.16Å; H12-F14 VanDerWaalsContact O-N 3.11Å | ||
| 13 | P | 46.9 | Very low | 43.6 | Very low | 90 Ų | 90 | 106.4 Ų | 106.4 | 58% | 0.584 | 51% | 0.511 | S | S | * | . | trans | -79.7 | 91.3 | 178.2 | 32.4 | -32.8 | 0 | 0 | 0 | 110.5 | Q15 | P13-Q15 PolarHBondContact O-N 2.86Å; P13-Q15 VanDerWaalsContact O-N 3.12Å | ||
| 14 | F | 43.2 | Very low | 43.6 | Very low | 139 Ų | 139 | 97.4 Ų | 97.4 | 61% | 0.61 | 49% | 0.485 | S | S | * | . | trans | -51.8 | 118.7 | 170.6 | -65.3 | -80.3 | 0 | 0 | 0 | 110.9 | H12 Y16 | H12-F14 PolarHBondContact O-N 3.16Å; H12-F14 VanDerWaalsContact O-N 3.11Å; F14-Y16 HydrophobicContact CB-CD2 4.27Å; F14-Y16 HydrophobicContact CB-CE1 4.47Å; F14-Y16 HydrophobicContact CB-CE2 3.48Å; F14-Y16 VanDerWaalsContact CB-CE2 3.48Å; F14-Y16 VanDerWaalsContact O-CD2 3.27Å; F14-Y16 WeakPolarHBondContact O-CD2 3.09Å; F14-Y16 WeakPolarHBondContact O-CE2 3.08Å | ||
| 15 | Q | 47.8 | Very low | 43.6 | Very low | 82 Ų | 82 | 95.6 Ų | 95.6 | 38% | 0.383 | 47% | 0.466 | S | S | . | . | trans | -90.9 | 110.4 | 175.8 | -59 | -148.8 | -8.6 | 0 | 0 | 110.1 | P13 | P13-Q15 PolarHBondContact O-N 2.86Å; P13-Q15 VanDerWaalsContact O-N 3.12Å | ||
| 16 | Y | 48.1 | Very low | 43.9 | Very low | 76 Ų | 76 | 98.4 Ų | 98.4 | 30% | 0.298 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 141.4 | -178.6 | -62.4 | -85.1 | 0 | 0 | 0 | 111.4 | F14 Q53 | F14-Y16 HydrophobicContact CB-CD2 4.27Å; F14-Y16 HydrophobicContact CB-CE1 4.47Å; F14-Y16 HydrophobicContact CB-CE2 3.48Å; F14-Y16 VanDerWaalsContact CB-CE2 3.48Å; F14-Y16 VanDerWaalsContact O-CD2 3.27Å; F14-Y16 WeakPolarHBondContact O-CD2 3.09Å; F14-Y16 WeakPolarHBondContact O-CE2 3.08Å; Y16-Q53 HydrophobicContact CD1-CB 4.08Å; Y16-Q53 HydrophobicContact CD1-CG 3.7Å; Y16-Q53 HydrophobicContact CE1-CB 4.12Å; Y16-Q53 HydrophobicContact CE1-CG 3.57Å |
| 17 | L | 48.1 | Very low | 43.9 | Very low | 32 Ų | 32 | 97.8 Ų | 97.8 | 17% | 0.168 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 118.8 | 166.6 | -164.6 | 87.3 | 0 | 0 | 0 | 107.9 | V19 C51 V52 V54 V60 A65 | L17-V19 HydrophobicContact CD2-CG2 3.97Å; L17-V19 HydrophobicContact CG-CG2 4.46Å; L17-C51 CarbonylContact O-C 3.5Å; L17-C51 WeakPolarHBondContact O-CA 3.33Å; L17-V52 HydrophobicContact CB-CB 4.45Å; L17-V52 WeakPolarHBondContact CB-O 3.39Å; L17-V52 PolarHBondContact N-O 2.76Å; L17-V52 PolarHBondContact O-N 2.8Å; L17-V54 HydrophobicContact CB-CG2 3.91Å; L17-V60 HydrophobicContact CD1-CG1 3.96Å; L17-A65 HydrophobicContact CD1-CB 4.27Å; L17-A65 HydrophobicContact CD2-CB 4.36Å |
| 18 | S | 47.1 | Very low | 44.1 | Very low | 20 Ų | 20 | 92.9 Ų | 92.9 | 14% | 0.14 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 114.5 | 177.6 | 61.5 | 0 | 0 | 0 | 0 | 110.2 | ||
| 19 | V | 50 | Low | 44.1 | Very low | 9 Ų | 9 | 88.2 Ų | 88.2 | 6% | 0.055 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 127.9 | 176.1 | -171.5 | 0 | 0 | 0 | 0 | 108.5 | L17 L21 C49 V50 V52 V84 | L17-V19 HydrophobicContact CD2-CG2 3.97Å; L17-V19 HydrophobicContact CG-CG2 4.46Å; V19-L21 HydrophobicContact CB-CD1 4.33Å; V19-L21 HydrophobicContact CG1-CD1 3.92Å; V19-C49 CarbonylContact O-C 3.58Å; V19-V50 CarbonylContact C-O 3.33Å; V19-V50 WeakPolarHBondContact CA-O 3.49Å; V19-V50 WeakPolarHBondContact CB-O 3.02Å; V19-V50 PolarHBondContact N-O 3.37Å; V19-V50 CarbonylContact O-C 3.53Å; V19-V50 PolarHBondContact O-N 2.86Å; V19-V52 HydrophobicContact CG2-CG2 3.89Å; V19-V84 HydrophobicContact CG1-CB 4.21Å; V19-V84 HydrophobicContact CG1-CG1 3.26Å; V19-V84 HydrophobicContact CG1-CG2 4.05Å |
| 20 | F | 46.8 | Very low | 44.2 | Very low | 40 Ų | 40 | 86.6 Ų | 86.6 | 18% | 0.175 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 128.7 | 173.8 | -77.4 | -105.6 | 0 | 0 | 0 | 108.4 | C49 V84 E85 K92 K100 | F20-C49 HydrophobicContact CD1-CB 4.02Å; F20-C49 WeakPolarHBondContact CD1-SG 3.32Å; F20-C49 HydrophobicContact CE1-CB 4.11Å; F20-C49 WeakPolarHBondContact CE1-SG 3.39Å; F20-C49 HydrophobicContact CG-CB 4.41Å; F20-V84 WeakPolarHBondContact O-CA 3.43Å; F20-E85 PolarHBondContact O-N 3.13Å; F20-K92 HydrophobicContact CZ-CD 3.93Å; F20-K100 HydrophobicContact CE1-CD 4.44Å |
| 21 | L | 46.5 | Very low | 44.4 | Very low | 11 Ų | 11 | 90 Ų | 90 | 6% | 0.058 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 96.7 | 178.1 | -85 | 68.1 | 0 | 0 | 0 | 108.9 | V19 C47 V48 V50 L82 E83 V84 | V19-L21 HydrophobicContact CB-CD1 4.33Å; V19-L21 HydrophobicContact CG1-CD1 3.92Å; L21-C47 CarbonylContact O-C 3.22Å; L21-V48 CarbonylContact C-O 3.42Å; L21-V48 VanDerWaalsContact C-O 3.22Å; L21-V48 WeakPolarHBondContact CA-O 3.45Å; L21-V48 HydrophobicContact CB-CB 4.17Å; L21-V48 PolarHBondContact N-O 3.03Å; L21-V48 CarbonylContact O-C 3.6Å; L21-V48 WeakPolarHBondContact O-CA 3.46Å; L21-V48 PolarHBondContact O-N 3.45Å; L21-V50 HydrophobicContact CD1-CB 3.78Å; L21-V50 HydrophobicContact CD1-CG2 3.85Å; L21-V50 HydrophobicContact CD2-CB 4.4Å; L21-V50 HydrophobicContact CD2-CG2 3.66Å; L21-V50 HydrophobicContact CG-CG2 4.35Å; L21-L82 HydrophobicContact CB-CD2 4.19Å; L21-L82 HydrophobicContact CD2-CB 4.46Å; L21-L82 HydrophobicContact CD2-CD1 3.41Å; L21-L82 VanDerWaalsContact CD2-CD1 3.41Å; L21-L82 HydrophobicContact CD2-CD2 3.54Å; L21-L82 HydrophobicContact CD2-CG 3.95Å; L21-L82 HydrophobicContact CG-CB 4.45Å; L21-L82 HydrophobicContact CG-CD1 4.18Å; L21-L82 HydrophobicContact CG-CD2 4.07Å; L21-L82 HydrophobicContact CG-CG 4.45Å; L21-E83 CarbonylContact C-O 3.6Å; L21-E83 WeakPolarHBondContact CA-O 3.19Å; L21-V84 HydrophobicContact CD1-CG2 4.44Å; L21-V84 HydrophobicContact CG-CG2 4.47Å |
| 22 | R | 44.5 | Very low | 44.7 | Very low | 87 Ų | 87 | 90.8 Ų | 90.8 | 33% | 0.328 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 134.5 | 169.1 | -123.6 | 179.5 | 163.3 | 156.6 | -14.9 | 109.4 | D45 C47 E83 E85 | R22-D45 IonicContact CZ-OD2 3.62Å; R22-D45 IonicContact NE-OD2 3.76Å; R22-D45 IonicContact NH2-OD2 2.74Å; R22-D45 PolarHBondContact NH2-OD2 3.09Å; R22-C47 HydrophobicContact CG-CB 4.05Å; R22-C47 WeakPolarHBondContact CG-SG 3.42Å; R22-E83 HydrophobicContact CB-CB 3.79Å; R22-E83 HydrophobicContact CB-CG 4.16Å; R22-E83 WeakPolarHBondContact CB-OE2 3.43Å; R22-E83 PolarHBondContact N-O 3.42Å; R22-E83 WeakPolarHBondContact O-CB 3.33Å; R22-E83 PolarHBondContact O-N 2.97Å; R22-E85 IonicContact NH1-OE1 3.94Å |
| 23 | S | 42.3 | Very low | 44.9 | Very low | 8 Ų | 8 | 95.4 Ų | 95.4 | 6% | 0.056 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 103 | 169.9 | -176.1 | 0 | 0 | 0 | 0 | 108.2 | F25 K46 N80 | S23-F25 PolarHBondContact O-N 3.43Å; S23-K46 CarbonylContact C-O 3.49Å; S23-K46 VanDerWaalsContact CA-O 3.22Å; S23-K46 WeakPolarHBondContact CA-O 3.13Å; S23-K46 WeakPolarHBondContact CB-O 3.27Å; S23-K46 PolarHBondContact N-O 2.88Å; S23-K46 PolarHBondContact O-N 2.82Å; S23-K46 VanDerWaalsContact O-O 3.05Å; S23-N80 WeakPolarHBondContact OG-CB 3.33Å |
| 24 | S | 41.5 | Very low | 45 | Very low | 54 Ų | 54 | 99.7 Ų | 99.7 | 38% | 0.378 | 49% | 0.487 | S | S | . | . | trans | -84.1 | 109.4 | 174.4 | -68.9 | 0 | 0 | 0 | 0 | 108.4 | R26 | S24-R26 VanDerWaalsContact C-N 3.3Å; S24-R26 PolarHBondContact O-N 2.86Å | ||
| 25 | F | 40.8 | Very low | 44.9 | Very low | 97 Ų | 97 | 98.9 Ų | 98.9 | 43% | 0.425 | 50% | 0.498 | S | S | . | . | trans | -72.9 | 84.9 | 179.6 | -152 | -97.2 | 0 | 0 | 0 | 109.1 | S23 S27 L43 | S23-F25 PolarHBondContact O-N 3.43Å; F25-S27 VanDerWaalsContact C-N 3.26Å; F25-S27 PolarHBondContact O-N 3.38Å; F25-L43 HydrophobicContact CD1-CD1 4.3Å | ||
| 26 | R | 45.8 | Very low | 44.5 | Very low | 224 Ų | 224 | 98.5 Ų | 98.5 | 85% | 0.845 | 52% | 0.516 | S | S | * | . | trans | -67.4 | 92.7 | 166.9 | -80.8 | -174.6 | 167.8 | -162.7 | -1.7 | 107.7 | S24 S28 | S24-R26 VanDerWaalsContact C-N 3.3Å; S24-R26 PolarHBondContact O-N 2.86Å; R26-S28 VanDerWaalsContact C-N 3.25Å; R26-S28 PolarHBondContact O-N 3.47Å | ||
| 27 | S | 41.1 | Very low | 44 | Very low | 95 Ų | 95 | 99.3 Ų | 99.3 | 66% | 0.664 | 55% | 0.548 | S | S | * | . | trans | -56.7 | 92.9 | 164.2 | 158.1 | 0 | 0 | 0 | 0 | 107.9 | F25 G29 | F25-S27 VanDerWaalsContact C-N 3.26Å; F25-S27 PolarHBondContact O-N 3.38Å; S27-G29 PolarHBondContact O-N 2.74Å | ||
| 28 | S | 44.8 | Very low | 43.6 | Very low | 115 Ų | 115 | 102 Ų | 102 | 80% | 0.804 | 58% | 0.575 | S | S | * | * | trans | -66.3 | 80 | 162.9 | 56.3 | 0 | 0 | 0 | 0 | 107 | R26 A30 | R26-S28 VanDerWaalsContact C-N 3.25Å; R26-S28 PolarHBondContact O-N 3.47Å; S28-A30 VanDerWaalsContact C-N 3.26Å; S28-A30 PolarHBondContact O-N 2.93Å | ||
| 29 | G | 39.6 | Very low | 43.5 | Very low | 54 Ų | 54 | 112.5 Ų | 112.5 | 56% | 0.557 | 61% | 0.611 | S | S | * | * | trans | -67.3 | 86.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | S27 R31 | S27-G29 PolarHBondContact O-N 2.74Å; G29-R31 PolarHBondContact O-N 3.37Å | ||
| 30 | A | 43.6 | Very low | 43 | Very low | 93 Ų | 93 | 121.4 Ų | 121.4 | 77% | 0.769 | 65% | 0.652 | S | S | * | * | trans | -57.4 | 104.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | S28 K32 | S28-A30 VanDerWaalsContact C-N 3.26Å; S28-A30 PolarHBondContact O-N 2.93Å; A30-K32 PolarHBondContact O-N 3.16Å | ||
| 31 | R | 45.6 | Very low | 42.8 | Very low | 249 Ų | 249 | 125.2 Ų | 125.2 | 94% | 0.94 | 68% | 0.679 | S | S | * | * | trans | -64.8 | 81.4 | 178 | -72.2 | -178.4 | 173.5 | -165.2 | -1.1 | 109.8 | G29 | G29-R31 PolarHBondContact O-N 3.37Š| ||
| 32 | K | 46.9 | Very low | 42.4 | Very low | 198 Ų | 198 | 131.6 Ų | 131.6 | 86% | 0.861 | 71% | 0.708 | S | S | * | * | trans | -94.8 | 102.9 | 164.6 | -152.3 | 165.9 | -173.6 | 173.3 | 0 | 108.3 | A30 Q34 | A30-K32 PolarHBondContact O-N 3.16Å; K32-Q34 PolarHBondContact O-N 2.93Å | ||
| 33 | R | 41.9 | Very low | 42.5 | Very low | 230 Ų | 230 | 132.3 Ų | 132.3 | 87% | 0.868 | 72% | 0.718 | S | S | * | * | trans | -42.8 | 126.2 | 168 | -68.7 | 172.2 | 145.1 | -174.5 | -6.9 | 109.7 | ||||
| 34 | Q | 48.2 | Very low | 42.7 | Very low | 181 Ų | 181 | 138.9 Ų | 138.9 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | trans | 175 | 114 | 135.3 | -95.4 | 165.1 | 16.1 | 0 | 0 | 110.5 | K32 | K32-Q34 PolarHBondContact O-N 2.93Š| ||
| 35 | S | 42.3 | Very low | 43.1 | Very low | 121 Ų | 121 | 140 Ų | 140 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | trans | 23.3 | 114.7 | 142.1 | 57.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 36 | G | 39.7 | Very low | 43.7 | Very low | 74 Ų | 74 | 140.3 Ų | 140.3 | 76% | 0.763 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 132.1 | 119 | 157.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A38 | G36-A38 PolarHBondContact O-N 3.06Š|
| 37 | G | 36.9 | Very low | 43.9 | Very low | 94 Ų | 94 | 132.5 Ų | 132.5 | 97% | 0.969 | 73% | 0.727 | S | S | * | * | trans | -41.8 | 118.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 38 | A | 39.9 | Very low | 44.4 | Very low | 88 Ų | 88 | 131.2 Ų | 131.2 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | trans | -127.2 | 116 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | G36 Q40 | G36-A38 PolarHBondContact O-N 3.06Å; A38-Q40 PolarHBondContact O-N 3.44Å; A38-Q40 VanDerWaalsContact O-N 3.16Å | ||
| 39 | R | 45.1 | Very low | 44.6 | Very low | 240 Ų | 240 | 126.7 Ų | 126.7 | 91% | 0.906 | 68% | 0.684 | S | S | * | * | trans | -56.9 | 116.2 | 169.5 | -68.4 | 176.6 | 173 | -178.4 | -4.3 | 107.5 | V41 | R39-V41 PolarHBondContact O-N 2.73Å; R39-V41 VanDerWaalsContact O-N 3.07Å | ||
| 40 | Q | 39.1 | Very low | 45.2 | Very low | 196 Ų | 196 | 127 Ų | 127 | 92% | 0.916 | 67% | 0.674 | S | S | * | * | trans | -63.1 | 107.3 | 166.5 | -81.4 | -178.1 | -19.8 | 0 | 0 | 107.4 | A38 | A38-Q40 PolarHBondContact O-N 3.44Å; A38-Q40 VanDerWaalsContact O-N 3.16Å | ||
| 41 | V | 42 | Very low | 45.4 | Very low | 120 Ų | 120 | 124.6 Ų | 124.6 | 73% | 0.727 | 65% | 0.652 | S | S | * | * | trans | -92.4 | 105.6 | 167.2 | -177.1 | 0 | 0 | 0 | 0 | 105.9 | R39 L43 | R39-V41 PolarHBondContact O-N 2.73Å; R39-V41 VanDerWaalsContact O-N 3.07Å; V41-L43 PolarHBondContact O-N 2.95Å; V41-L43 VanDerWaalsContact O-N 3.09Å | ||
| 42 | E | 39.3 | Very low | 45.8 | Very low | 145 Ų | 145 | 115.1 Ų | 115.1 | 68% | 0.678 | 62% | 0.622 | S | S | * | * | trans | -58.8 | 104.5 | 173.9 | -165.4 | -174.8 | 172 | 0 | 0 | 109 | K44 | E42-K44 VanDerWaalsContact C-N 3.32Å; E42-K44 HydrophobicContact CG-CG 4.13Å; E42-K44 PolarHBondContact O-N 2.93Å; E42-K44 WeakPolarHBondContact OE1-CE 3.12Å; E42-K44 IonicContact OE1-NZ 3.79Å; E42-K44 WeakPolarHBondContact OE2-CE 3.22Å; E42-K44 IonicContact OE2-NZ 3.47Å; E42-K44 PolarHBondContact OE2-NZ 3.06Å | ||
| 43 | L | 45.8 | Very low | 45.8 | Very low | 102 Ų | 102 | 112.2 Ų | 112.2 | 53% | 0.534 | 61% | 0.611 | S | S | . | * | trans | -76.7 | 85.9 | 174.4 | -85.9 | 151.2 | 0 | 0 | 0 | 108.3 | F25 V41 D45 | F25-L43 HydrophobicContact CD1-CD1 4.3Å; V41-L43 PolarHBondContact O-N 2.95Å; V41-L43 VanDerWaalsContact O-N 3.09Å; L43-D45 PolarHBondContact O-N 2.62Å | ||
| 44 | K | 46.7 | Very low | 46.3 | Very low | 146 Ų | 146 | 103.5 Ų | 103.5 | 64% | 0.635 | 58% | 0.583 | S | S | * | * | trans | -69.4 | 119.7 | 172 | -63.2 | -177.2 | 179.3 | -177.8 | 0 | 109 | E42 | E42-K44 VanDerWaalsContact C-N 3.32Å; E42-K44 HydrophobicContact CG-CG 4.13Å; E42-K44 PolarHBondContact O-N 2.93Å; E42-K44 WeakPolarHBondContact OE1-CE 3.12Å; E42-K44 IonicContact OE1-NZ 3.79Å; E42-K44 WeakPolarHBondContact OE2-CE 3.22Å; E42-K44 IonicContact OE2-NZ 3.47Å; E42-K44 PolarHBondContact OE2-NZ 3.06Å | ||
| 45 | D | 50.7 | Low | 46.2 | Very low | 78 Ų | 78 | 103.4 Ų | 103.4 | 42% | 0.417 | 58% | 0.583 | S | S | . | * | trans | 27 | 111 | 159.6 | -45.9 | -20.7 | 0 | 0 | 0 | 117.6 | R22 L43 | R22-D45 IonicContact CZ-OD2 3.62Å; R22-D45 IonicContact NE-OD2 3.76Å; R22-D45 IonicContact NH2-OD2 2.74Å; R22-D45 PolarHBondContact NH2-OD2 3.09Å; L43-D45 PolarHBondContact O-N 2.62Å | ||
| 46 | K | 53.8 | Low | 46.3 | Very low | 104 Ų | 104 | 102.3 Ų | 102.3 | 45% | 0.452 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.3 | 105.4 | 171.9 | -67.6 | 175.8 | -176.7 | 167.8 | 0 | 109.1 | S23 | S23-K46 CarbonylContact C-O 3.49Å; S23-K46 VanDerWaalsContact CA-O 3.22Å; S23-K46 WeakPolarHBondContact CA-O 3.13Å; S23-K46 WeakPolarHBondContact CB-O 3.27Å; S23-K46 PolarHBondContact N-O 2.88Å; S23-K46 PolarHBondContact O-N 2.82Å; S23-K46 VanDerWaalsContact O-O 3.05Å |
| 47 | C | 49.6 | Very low | 46.9 | Very low | 59 Ų | 59 | 107.9 Ų | 107.9 | 40% | 0.399 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.5 | 126.1 | 176.5 | -39.3 | 0 | 0 | 0 | 0 | 111.3 | L21 R22 | L21-C47 CarbonylContact O-C 3.22Å; R22-C47 HydrophobicContact CG-CB 4.05Å; R22-C47 WeakPolarHBondContact CG-SG 3.42Å |
| 48 | V | 51.9 | Low | 47.5 | Very low | 68 Ų | 68 | 109.6 Ų | 109.6 | 41% | 0.412 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.6 | 161.6 | 163.3 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | L21 V50 Y101 | L21-V48 CarbonylContact C-O 3.42Å; L21-V48 VanDerWaalsContact C-O 3.22Å; L21-V48 WeakPolarHBondContact CA-O 3.45Å; L21-V48 HydrophobicContact CB-CB 4.17Å; L21-V48 PolarHBondContact N-O 3.03Å; L21-V48 CarbonylContact O-C 3.6Å; L21-V48 WeakPolarHBondContact O-CA 3.46Å; L21-V48 PolarHBondContact O-N 3.45Å; V48-V50 HydrophobicContact CG1-CG2 4.34Å; V48-Y101 WeakPolarHBondContact CA-OH 3.03Å |
| 49 | C | 48 | Very low | 48.1 | Very low | 21 Ų | 21 | 114.2 Ų | 114.2 | 14% | 0.142 | 56% | 0.558 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -142.4 | 121.7 | -178.4 | -49.7 | 0 | 0 | 0 | 0 | 105.1 | V19 F20 M97 Y101 | V19-C49 CarbonylContact O-C 3.58Å; F20-C49 HydrophobicContact CD1-CB 4.02Å; F20-C49 WeakPolarHBondContact CD1-SG 3.32Å; F20-C49 HydrophobicContact CE1-CB 4.11Å; F20-C49 WeakPolarHBondContact CE1-SG 3.39Å; F20-C49 HydrophobicContact CG-CB 4.41Å; C49-M97 HydrophobicContact CB-CE 3.75Å; C49-Y101 WeakPolarHBondContact CA-OH 3.45Å; C49-Y101 HydrophobicContact CB-CE2 4.2Å; C49-Y101 VanDerWaalsContact CB-OH 3.26Å; C49-Y101 WeakPolarHBondContact CB-OH 3.45Å; C49-Y101 PolarHBondContact N-OH 3.11Å; C49-Y101 PolarHBondContact SG-OH 2.86Å |
| 50 | V | 52.7 | Low | 48.7 | Very low | 59 Ų | 59 | 106 Ų | 106 | 36% | 0.358 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 120.2 | -179.5 | 178.7 | 0 | 0 | 0 | 0 | 107.2 | V19 L21 V48 V52 | V19-V50 CarbonylContact C-O 3.33Å; V19-V50 WeakPolarHBondContact CA-O 3.49Å; V19-V50 WeakPolarHBondContact CB-O 3.02Å; V19-V50 PolarHBondContact N-O 3.37Å; V19-V50 CarbonylContact O-C 3.53Å; V19-V50 PolarHBondContact O-N 2.86Å; L21-V50 HydrophobicContact CD1-CB 3.78Å; L21-V50 HydrophobicContact CD1-CG2 3.85Å; L21-V50 HydrophobicContact CD2-CB 4.4Å; L21-V50 HydrophobicContact CD2-CG2 3.66Å; L21-V50 HydrophobicContact CG-CG2 4.35Å; V48-V50 HydrophobicContact CG1-CG2 4.34Å; V50-V52 PolarHBondContact O-N 2.96Å |
| 51 | C | 46.9 | Very low | 49.6 | Very low | 43 Ų | 43 | 100.1 Ų | 100.1 | 29% | 0.291 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 121.5 | 164.7 | -92.9 | 0 | 0 | 0 | 0 | 108.6 | L17 M97 | L17-C51 CarbonylContact O-C 3.5Å; L17-C51 WeakPolarHBondContact O-CA 3.33Å; C51-M97 HydrophobicContact CB-CE 4.36Å; C51-M97 HydrophobicContact CB-SD 4.48Å; C51-M97 VanDerWaalsContact SG-CE 3.51Å; C51-M97 PolarHBondContact SG-SD 3.37Å |
| 52 | V | 55 | Low | 50.8 | Low | 51 Ų | 51 | 100.5 Ų | 100.5 | 31% | 0.309 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 117.7 | 164.1 | -178.6 | 0 | 0 | 0 | 0 | 106.6 | L17 V19 V50 V54 | L17-V52 HydrophobicContact CB-CB 4.45Å; L17-V52 WeakPolarHBondContact CB-O 3.39Å; L17-V52 PolarHBondContact N-O 2.76Å; L17-V52 PolarHBondContact O-N 2.8Å; V19-V52 HydrophobicContact CG2-CG2 3.89Å; V50-V52 PolarHBondContact O-N 2.96Å; V52-V54 HydrophobicContact CG1-CG2 4.28Å; V52-V54 PolarHBondContact O-N 3.42Å |
| 53 | Q | 45.9 | Very low | 52.2 | Low | 136 Ų | 136 | 102.4 Ų | 102.4 | 64% | 0.636 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 108.3 | 171.7 | -48.7 | -165.7 | -13.2 | 0 | 0 | 107.2 | Y16 | Y16-Q53 HydrophobicContact CD1-CB 4.08Å; Y16-Q53 HydrophobicContact CD1-CG 3.7Å; Y16-Q53 HydrophobicContact CE1-CB 4.12Å; Y16-Q53 HydrophobicContact CE1-CG 3.57Å |
| 54 | V | 52.1 | Low | 53.2 | Low | 47 Ų | 47 | 100.7 Ų | 100.7 | 29% | 0.285 | 50% | 0.498 | S | S | . | . | trans | -91.8 | 117.1 | 168.8 | -178.1 | 0 | 0 | 0 | 0 | 106 | L17 V52 E56 | L17-V54 HydrophobicContact CB-CG2 3.91Å; V52-V54 HydrophobicContact CG1-CG2 4.28Å; V52-V54 PolarHBondContact O-N 3.42Å; V54-E56 PolarHBondContact O-N 3.1Å | ||
| 55 | Q | 46.4 | Very low | 54.1 | Low | 179 Ų | 179 | 94.5 Ų | 94.5 | 84% | 0.836 | 47% | 0.474 | S | S | * | . | trans | -68.9 | 123.4 | 178 | -72.5 | -170.9 | 40.5 | 0 | 0 | 109 | K57 | Q55-K57 PolarHBondContact O-N 3.19Å; Q55-K57 VanDerWaalsContact O-N 3.07Å | ||
| 56 | E | 45.7 | Very low | 55 | Low | 99 Ų | 99 | 94.6 Ų | 94.6 | 46% | 0.463 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -57.1 | 104 | -178.4 | -168.1 | 176.5 | -156.3 | 0 | 0 | 110.5 | V54 | V54-E56 PolarHBondContact O-N 3.1Š|
| 57 | K | 51.3 | Low | 56.1 | Low | 191 Ų | 191 | 94.2 Ų | 94.2 | 83% | 0.83 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -151.3 | -22.8 | 158.2 | -111.4 | 172.9 | -171.2 | -176.6 | 0 | 114.5 | Q55 | Q55-K57 PolarHBondContact O-N 3.19Å; Q55-K57 VanDerWaalsContact O-N 3.07Å |
| 58 | D | 49.3 | Very low | 57 | Low | 130 Ų | 130 | 92.3 Ų | 92.3 | 70% | 0.695 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -126.7 | 142.3 | 173.5 | -63 | -58.1 | 0 | 0 | 0 | 109.6 | V60 | D58-V60 PolarHBondContact O-N 3.23Š|
| 59 | K | 53.8 | Low | 58 | Low | 184 Ų | 184 | 90.9 Ų | 90.9 | 80% | 0.8 | 45% | 0.454 | S | S | * | . | trans | -36.6 | 125.9 | 171.4 | -64.3 | 166.2 | -178.9 | 173.7 | 0 | 108.1 | N61 | K59-N61 VanDerWaalsContact C-N 3.31Å; K59-N61 VanDerWaalsContact O-CG 3.28Å; K59-N61 PolarHBondContact O-N 3.38Å; K59-N61 PolarHBondContact O-OD1 3.49Å | ||
| 60 | V | 56 | Low | 59.2 | Low | 67 Ų | 67 | 98.4 Ų | 98.4 | 41% | 0.406 | 48% | 0.48 | S | S | . | . | trans | -51.4 | 101.6 | 176.8 | 177.4 | 0 | 0 | 0 | 0 | 107.2 | L17 D58 | L17-V60 HydrophobicContact CD1-CG1 3.96Å; D58-V60 PolarHBondContact O-N 3.23Å | ||
| 61 | N | 59.6 | Low | 60.2 | Low | 74 Ų | 74 | 99.5 Ų | 99.5 | 40% | 0.396 | 49% | 0.49 | S | S | . | . | trans | -80.3 | 133.7 | -176.1 | -75.3 | -42.1 | 0 | 0 | 0 | 105.9 | K59 R63 D64 | K59-N61 VanDerWaalsContact C-N 3.31Å; K59-N61 VanDerWaalsContact O-CG 3.28Å; K59-N61 PolarHBondContact O-N 3.38Å; K59-N61 PolarHBondContact O-OD1 3.49Å; N61-R63 HydrophobicContact CB-CB 4.22Å; N61-R63 PolarHBondContact O-N 2.83Å; N61-D64 PolarHBondContact O-N 3.16Å | ||
| 62 | I | 66.3 | Low | 61.4 | Low | 128 Ų | 128 | 100.3 Ų | 100.3 | 66% | 0.656 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -49.2 | -33.2 | 171.4 | -61.6 | 170.3 | 0 | 0 | 0 | 109.6 | D64 A65 E66 | I62-D64 PolarHBondContact O-N 3.33Å; I62-A65 PolarHBondContact O-N 2.76Å; I62-E66 HydrophobicContact CG2-CG 4.18Å; I62-E66 WeakPolarHBondContact CG2-OE1 3.48Å; I62-E66 WeakPolarHBondContact O-CG 3.47Å; I62-E66 PolarHBondContact O-N 3.35Å |
| 63 | R | 68.3 | Low | 62.1 | Low | 185 Ų | 185 | 100.2 Ų | 100.2 | 70% | 0.698 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -57 | -42.8 | 172.9 | -64 | -171.5 | 175.9 | -168.9 | -2 | 114.9 | N61 A65 E66 D67 | N61-R63 HydrophobicContact CB-CB 4.22Å; N61-R63 PolarHBondContact O-N 2.83Å; R63-A65 PolarHBondContact O-N 3.31Å; R63-E66 PolarHBondContact O-N 2.73Å; R63-D67 WeakPolarHBondContact O-CB 3.04Å; R63-D67 VanDerWaalsContact O-CG 3.3Å; R63-D67 PolarHBondContact O-N 2.81Å |
| 64 | D | 67.3 | Low | 63.1 | Low | 66 Ų | 66 | 102.4 Ų | 102.4 | 35% | 0.353 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67 | -31.3 | -179.7 | -61 | -26.1 | 0 | 0 | 0 | 111 | N61 I62 A68 | N61-D64 PolarHBondContact O-N 3.16Å; I62-D64 PolarHBondContact O-N 3.33Å; D64-A68 WeakPolarHBondContact O-CB 3.28Å; D64-A68 PolarHBondContact O-N 3.17Å; D64-A68 VanDerWaalsContact O-N 3.13Å |
| 65 | A | 65.2 | Low | 64.1 | Low | 15 Ų | 15 | 103 Ų | 103 | 12% | 0.124 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -79.9 | -35.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L17 I62 R63 L69 F86 | L17-A65 HydrophobicContact CD1-CB 4.27Å; L17-A65 HydrophobicContact CD2-CB 4.36Å; I62-A65 PolarHBondContact O-N 2.76Å; R63-A65 PolarHBondContact O-N 3.31Å; A65-L69 WeakPolarHBondContact O-CB 3.46Å; A65-L69 PolarHBondContact O-N 2.65Å; A65-F86 HydrophobicContact CB-CE1 3.69Å |
| 66 | E | 70.9 | Confident | 65.1 | Low | 81 Ų | 81 | 100 Ų | 100 | 38% | 0.379 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64 | -46.1 | 170.1 | -73.4 | 172.2 | 169.4 | 0 | 0 | 111.2 | I62 R63 A68 L69 Y70 F86 | I62-E66 HydrophobicContact CG2-CG 4.18Å; I62-E66 WeakPolarHBondContact CG2-OE1 3.48Å; I62-E66 WeakPolarHBondContact O-CG 3.47Å; I62-E66 PolarHBondContact O-N 3.35Å; R63-E66 PolarHBondContact O-N 2.73Å; E66-A68 VanDerWaalsContact C-N 3.33Å; E66-A68 PolarHBondContact O-N 2.95Å; E66-L69 WeakPolarHBondContact O-CA 3.12Å; E66-L69 VanDerWaalsContact O-CB 3.32Å; E66-L69 WeakPolarHBondContact O-CB 3.21Å; E66-L69 PolarHBondContact O-N 2.65Å; E66-L69 VanDerWaalsContact O-N 3.11Å; E66-Y70 HydrophobicContact CB-CD2 4.47Å; E66-Y70 HydrophobicContact CB-CE2 4.32Å; E66-Y70 WeakPolarHBondContact O-CD2 3.32Å; E66-Y70 PolarHBondContact O-N 3.32Å; E66-F86 HydrophobicContact CG-CZ 4.41Å |
| 67 | D | 74.9 | Confident | 65.9 | Low | 95 Ų | 95 | 100.3 Ų | 100.3 | 51% | 0.508 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 178.2 | -76.8 | -6.1 | 0 | 0 | 0 | 111.4 | R63 Y70 S71 | R63-D67 WeakPolarHBondContact O-CB 3.04Å; R63-D67 VanDerWaalsContact O-CG 3.3Å; R63-D67 PolarHBondContact O-N 2.81Å; D67-Y70 PolarHBondContact O-N 3.45Å; D67-S71 WeakPolarHBondContact O-CB 3.34Å; D67-S71 PolarHBondContact O-N 2.67Å; D67-S71 PolarHBondContact O-OG 3.34Å |
| 68 | A | 70.2 | Confident | 66.5 | Low | 19 Ų | 19 | 99 Ų | 99 | 16% | 0.157 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D64 E66 L72 | D64-A68 WeakPolarHBondContact O-CB 3.28Å; D64-A68 PolarHBondContact O-N 3.17Å; D64-A68 VanDerWaalsContact O-N 3.13Å; E66-A68 VanDerWaalsContact C-N 3.33Å; E66-A68 PolarHBondContact O-N 2.95Å; A68-L72 HydrophobicContact CB-CD1 4.43Å; A68-L72 WeakPolarHBondContact O-CB 3.17Å; A68-L72 WeakPolarHBondContact O-CG 3.13Å; A68-L72 PolarHBondContact O-N 3.28Å |
| 69 | L | 72.5 | Confident | 67.4 | Low | 39 Ų | 39 | 96.2 Ų | 96.2 | 20% | 0.204 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -59.8 | -52.4 | 174.1 | 177.6 | 71.9 | 0 | 0 | 0 | 110.3 | A65 E66 S71 D73 V84 F86 | A65-L69 WeakPolarHBondContact O-CB 3.46Å; A65-L69 PolarHBondContact O-N 2.65Å; E66-L69 WeakPolarHBondContact O-CA 3.12Å; E66-L69 VanDerWaalsContact O-CB 3.32Å; E66-L69 WeakPolarHBondContact O-CB 3.21Å; E66-L69 PolarHBondContact O-N 2.65Å; E66-L69 VanDerWaalsContact O-N 3.11Å; L69-S71 VanDerWaalsContact C-N 3.35Å; L69-S71 PolarHBondContact O-N 3.06Å; L69-D73 WeakPolarHBondContact O-CB 3.04Å; L69-D73 PolarHBondContact O-N 3.45Å; L69-V84 HydrophobicContact CD1-CB 3.89Å; L69-V84 HydrophobicContact CD1-CG1 3.69Å; L69-V84 WeakPolarHBondContact CD1-O 3.5Å; L69-F86 HydrophobicContact CD2-CE2 3.71Å; L69-F86 HydrophobicContact CD2-CZ 4.14Å |
| 70 | Y | 73.6 | Confident | 67.8 | Low | 179 Ų | 179 | 89.9 Ų | 89.9 | 70% | 0.702 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.5 | -36.3 | -179.3 | -73.2 | -66.8 | 0 | 0 | 0 | 113.4 | E66 D67 | E66-Y70 HydrophobicContact CB-CD2 4.47Å; E66-Y70 HydrophobicContact CB-CE2 4.32Å; E66-Y70 WeakPolarHBondContact O-CD2 3.32Å; E66-Y70 PolarHBondContact O-N 3.32Å; D67-Y70 PolarHBondContact O-N 3.45Å |
| 71 | S | 72.8 | Confident | 68.6 | Low | 81 Ų | 81 | 90.7 Ų | 90.7 | 57% | 0.566 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -81.6 | -26.1 | -175.5 | -57 | 0 | 0 | 0 | 0 | 113.6 | D67 L69 V75 | D67-S71 WeakPolarHBondContact O-CB 3.34Å; D67-S71 PolarHBondContact O-N 2.67Å; D67-S71 PolarHBondContact O-OG 3.34Å; L69-S71 VanDerWaalsContact C-N 3.35Å; L69-S71 PolarHBondContact O-N 3.06Å; S71-V75 WeakPolarHBondContact O-CG2 3.16Å |
| 72 | L | 72.4 | Confident | 69 | Low | 61 Ų | 61 | 87.9 Ų | 87.9 | 32% | 0.319 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -109 | -18.6 | -174.6 | -60.2 | 174.7 | 0 | 0 | 0 | 113.4 | A68 R74 V75 V84 | A68-L72 HydrophobicContact CB-CD1 4.43Å; A68-L72 WeakPolarHBondContact O-CB 3.17Å; A68-L72 WeakPolarHBondContact O-CG 3.13Å; A68-L72 PolarHBondContact O-N 3.28Å; L72-R74 PolarHBondContact O-N 3.33Å; L72-V75 PolarHBondContact O-N 3.26Å; L72-V84 HydrophobicContact CB-CG2 3.92Å |
| 73 | D | 70.1 | Confident | 69.1 | Low | 49 Ų | 49 | 85.1 Ų | 85.1 | 26% | 0.262 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 123.8 | 174.9 | -171.1 | 47.2 | 0 | 0 | 0 | 110.5 | L69 V75 | L69-D73 WeakPolarHBondContact O-CB 3.04Å; L69-D73 PolarHBondContact O-N 3.45Å; D73-V75 PolarHBondContact O-N 2.7Å |
| 74 | R | 66.3 | Low | 69.1 | Low | 181 Ų | 181 | 77 Ų | 77 | 68% | 0.683 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 15.5 | -175.2 | -51.2 | 168 | -69.1 | -143 | -0.9 | 115.2 | L72 N76 L82 | L72-R74 PolarHBondContact O-N 3.33Å; R74-N76 PolarHBondContact O-N 2.87Å; R74-N76 PolarHBondContact O-OD1 2.73Å; R74-L82 WeakPolarHBondContact CA-O 3.26Å; R74-L82 PolarHBondContact N-O 3.24Å |
| 75 | V | 73.2 | Confident | 69.3 | Low | 60 Ų | 60 | 78 Ų | 78 | 36% | 0.364 | 40% | 0.403 | S | S | . | . | trans | -68.2 | 132.3 | 165.8 | 172.4 | 0 | 0 | 0 | 0 | 109 | S71 L72 D73 F77 L82 | S71-V75 WeakPolarHBondContact O-CG2 3.16Å; L72-V75 PolarHBondContact O-N 3.26Å; D73-V75 PolarHBondContact O-N 2.7Å; V75-F77 PolarHBondContact O-N 2.86Å; V75-L82 WeakPolarHBondContact O-CB 3.46Å; V75-L82 VanDerWaalsContact O-CG 3.28Å; V75-L82 WeakPolarHBondContact O-CG 3.2Å; V75-L82 PolarHBondContact O-N 3.32Å; V75-L82 VanDerWaalsContact O-N 3.1Å | ||
| 76 | N | 66.8 | Low | 69.5 | Low | 116 Ų | 116 | 82.9 Ų | 82.9 | 62% | 0.62 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 107.9 | 177.7 | -66.2 | 34.1 | 0 | 0 | 0 | 109.5 | R74 N80 D81 | R74-N76 PolarHBondContact O-N 2.87Å; R74-N76 PolarHBondContact O-OD1 2.73Å; N76-N80 CarbonylContact C-O 3.46Å; N76-N80 WeakPolarHBondContact CA-O 3.33Å; N76-D81 PolarHBondContact OD1-OD1 3.11Å |
| 77 | F | 63.4 | Low | 69.4 | Low | 106 Ų | 106 | 81 Ų | 81 | 47% | 0.465 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 118.7 | 174.9 | -170.4 | -99.1 | 0 | 0 | 0 | 109.9 | V75 G79 N80 L82 | V75-F77 PolarHBondContact O-N 2.86Å; F77-G79 PolarHBondContact O-N 3.01Å; F77-G79 VanDerWaalsContact O-N 3.16Å; F77-N80 PolarHBondContact N-O 2.77Å; F77-N80 PolarHBondContact O-N 3.48Å; F77-L82 HydrophobicContact CB-CD1 3.49Å; F77-L82 VanDerWaalsContact CB-CD1 3.49Å; F77-L82 HydrophobicContact CB-CD2 3.63Å; F77-L82 HydrophobicContact CB-CG 3.53Å; F77-L82 HydrophobicContact CD1-CD2 4.48Å; F77-L82 HydrophobicContact CG-CD1 4.13Å; F77-L82 HydrophobicContact CG-CD2 4.37Å |
| 78 | H | 64.1 | Low | 69 | Low | 164 Ų | 164 | 86.8 Ų | 86.8 | 76% | 0.759 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 35.4 | 179.6 | -70.8 | -137.3 | 0 | 0 | 0 | 113.3 | N80 | H78-N80 PolarHBondContact O-ND2 3.21Š|
| 79 | G | 68.9 | Low | 69.1 | Low | 70 Ų | 70 | 88.9 Ų | 88.9 | 72% | 0.722 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 13.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | F77 | F77-G79 PolarHBondContact O-N 3.01Å; F77-G79 VanDerWaalsContact O-N 3.16Å |
| 80 | N | 61 | Low | 68.9 | Low | 52 Ų | 52 | 94.9 Ų | 94.9 | 28% | 0.278 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 146.4 | 171.4 | -42.8 | -76.4 | 0 | 0 | 0 | 110.3 | S23 N76 F77 H78 | S23-N80 WeakPolarHBondContact OG-CB 3.33Å; N76-N80 CarbonylContact C-O 3.46Å; N76-N80 WeakPolarHBondContact CA-O 3.33Å; F77-N80 PolarHBondContact N-O 2.77Å; F77-N80 PolarHBondContact O-N 3.48Å; H78-N80 PolarHBondContact O-ND2 3.21Å |
| 81 | D | 73.1 | Confident | 68.5 | Low | 83 Ų | 83 | 92.2 Ų | 92.2 | 44% | 0.444 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 134.3 | 173.3 | -52 | -19.3 | 0 | 0 | 0 | 108.5 | N76 | N76-D81 PolarHBondContact OD1-OD1 3.11Å |
| 82 | L | 67.3 | Low | 68.3 | Low | 15 Ų | 15 | 90.3 Ų | 90.3 | 8% | 0.079 | 47% | 0.466 | C | S | . | . | trans | -86.7 | 134.4 | 174.5 | -64.7 | -175.9 | 0 | 0 | 0 | 110.5 | L21 R74 V75 F77 | L21-L82 HydrophobicContact CB-CD2 4.19Å; L21-L82 HydrophobicContact CD2-CB 4.46Å; L21-L82 HydrophobicContact CD2-CD1 3.41Å; L21-L82 VanDerWaalsContact CD2-CD1 3.41Å; L21-L82 HydrophobicContact CD2-CD2 3.54Å; L21-L82 HydrophobicContact CD2-CG 3.95Å; L21-L82 HydrophobicContact CG-CB 4.45Å; L21-L82 HydrophobicContact CG-CD1 4.18Å; L21-L82 HydrophobicContact CG-CD2 4.07Å; L21-L82 HydrophobicContact CG-CG 4.45Å; R74-L82 WeakPolarHBondContact CA-O 3.26Å; R74-L82 PolarHBondContact N-O 3.24Å; V75-L82 WeakPolarHBondContact O-CB 3.46Å; V75-L82 VanDerWaalsContact O-CG 3.28Å; V75-L82 WeakPolarHBondContact O-CG 3.2Å; V75-L82 PolarHBondContact O-N 3.32Å; V75-L82 VanDerWaalsContact O-N 3.1Å; F77-L82 HydrophobicContact CB-CD1 3.49Å; F77-L82 VanDerWaalsContact CB-CD1 3.49Å; F77-L82 HydrophobicContact CB-CD2 3.63Å; F77-L82 HydrophobicContact CB-CG 3.53Å; F77-L82 HydrophobicContact CD1-CD2 4.48Å; F77-L82 HydrophobicContact CG-CD1 4.13Å; F77-L82 HydrophobicContact CG-CD2 4.37Å | ||
| 83 | E | 68.4 | Low | 67.8 | Low | 71 Ų | 71 | 90.8 Ų | 90.8 | 33% | 0.332 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 120.8 | 169.4 | 178.1 | 177.5 | -166 | 0 | 0 | 108.3 | L21 R22 | L21-E83 CarbonylContact C-O 3.6Å; L21-E83 WeakPolarHBondContact CA-O 3.19Å; R22-E83 HydrophobicContact CB-CB 3.79Å; R22-E83 HydrophobicContact CB-CG 4.16Å; R22-E83 WeakPolarHBondContact CB-OE2 3.43Å; R22-E83 PolarHBondContact N-O 3.42Å; R22-E83 WeakPolarHBondContact O-CB 3.33Å; R22-E83 PolarHBondContact O-N 2.97Å |
| 84 | V | 69.2 | Low | 67.6 | Low | 15 Ų | 15 | 91.5 Ų | 91.5 | 9% | 0.091 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 127.2 | -176.6 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | V19 F20 L21 L69 L72 | V19-V84 HydrophobicContact CG1-CB 4.21Å; V19-V84 HydrophobicContact CG1-CG1 3.26Å; V19-V84 HydrophobicContact CG1-CG2 4.05Å; F20-V84 WeakPolarHBondContact O-CA 3.43Å; L21-V84 HydrophobicContact CD1-CG2 4.44Å; L21-V84 HydrophobicContact CG-CG2 4.47Å; L69-V84 HydrophobicContact CD1-CB 3.89Å; L69-V84 HydrophobicContact CD1-CG1 3.69Å; L69-V84 WeakPolarHBondContact CD1-O 3.5Å; L72-V84 HydrophobicContact CB-CG2 3.92Å |
| 85 | E | 71.6 | Confident | 67.6 | Low | 87 Ų | 87 | 85.3 Ų | 85.3 | 41% | 0.407 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 145.6 | 176.3 | -68.8 | -179.2 | -165.1 | 0 | 0 | 111.9 | F20 R22 | F20-E85 PolarHBondContact O-N 3.13Å; R22-E85 IonicContact NH1-OE1 3.94Å |
| 86 | F | 68.6 | Low | 67.2 | Low | 116 Ų | 116 | 87 Ų | 87 | 51% | 0.509 | 48% | 0.476 | S | S | . | . | trans | -66.7 | 135.4 | 167 | -70.6 | -72.9 | 0 | 0 | 0 | 110.9 | A65 E66 L69 K88 | A65-F86 HydrophobicContact CB-CE1 3.69Å; E66-F86 HydrophobicContact CG-CZ 4.41Å; L69-F86 HydrophobicContact CD2-CE2 3.71Å; L69-F86 HydrophobicContact CD2-CZ 4.14Å; F86-K88 PolarHBondContact O-N 2.87Å | ||
| 87 | A | 68.7 | Low | 67.1 | Low | 43 Ų | 43 | 82.3 Ų | 82.3 | 36% | 0.355 | 45% | 0.45 | S | S | . | . | trans | -65.7 | 127.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | G89 | A87-G89 PolarHBondContact O-N 2.99Š| ||
| 88 | K | 67.6 | Low | 67.1 | Low | 216 Ų | 216 | 85.6 Ų | 85.6 | 94% | 0.939 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -78.9 | 96.2 | 171.1 | -63.3 | -176.8 | -177.6 | -178.5 | 0 | 108.9 | F86 | F86-K88 PolarHBondContact O-N 2.87Š|
| 89 | G | 72.1 | Confident | 66.8 | Low | 62 Ų | 62 | 81.1 Ų | 81.1 | 64% | 0.639 | 45% | 0.447 | S | S | * | . | S | Bend | trans | 113.1 | -161.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | A87 | A87-G89 PolarHBondContact O-N 2.99Š|
| 90 | D | 68.5 | Low | 66.3 | Low | 165 Ų | 165 | 84.1 Ų | 84.1 | 88% | 0.882 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -65.4 | 156.9 | -174.8 | -72.6 | -31 | 0 | 0 | 0 | 113.6 | K92 | D90-K92 PolarHBondContact O-N 2.94Š|
| 91 | R | 64.6 | Low | 66 | Low | 124 Ų | 124 | 85.4 Ų | 85.4 | 47% | 0.468 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 123.1 | -178 | -65.5 | -177.5 | 175.7 | 121.4 | -1.6 | 111.3 | T93 | R91-T93 PolarHBondContact O-N 3.47Š|
| 92 | K | 68.4 | Low | 65 | Low | 40 Ų | 40 | 87.9 Ų | 87.9 | 17% | 0.174 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 121.2 | 170.5 | -159.3 | 175.3 | -163.8 | -138.9 | 0 | 109.5 | F20 D90 E96 M97 | F20-K92 HydrophobicContact CZ-CD 3.93Å; D90-K92 PolarHBondContact O-N 2.94Å; K92-E96 HydrophobicContact CD-CB 4.31Å; K92-E96 VanDerWaalsContact CE-C 3.45Å; K92-E96 WeakPolarHBondContact CE-O 3.34Å; K92-E96 HydrophobicContact CG-CB 3.5Å; K92-E96 PolarHBondContact NZ-O 2.81Å; K92-M97 HydrophobicContact CB-CG 4.09Å; K92-M97 HydrophobicContact CD-CG 3.82Å; K92-M97 HydrophobicContact CG-CG 3.93Å |
| 93 | T | 62.9 | Low | 64 | Low | 72 Ų | 72 | 90.4 Ų | 90.4 | 44% | 0.442 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 152.4 | 175.2 | 61.9 | 0 | 0 | 0 | 0 | 110.4 | R91 G95 E96 M97 | R91-T93 PolarHBondContact O-N 3.47Å; T93-G95 PolarHBondContact O-N 3.24Å; T93-G95 VanDerWaalsContact O-N 3.11Å; T93-E96 WeakPolarHBondContact CB-OE2 3.49Å; T93-E96 PolarHBondContact N-OE2 2.83Å; T93-E96 CarbonylContact O-C 3.6Å; T93-E96 WeakPolarHBondContact O-CA 3.05Å; T93-E96 WeakPolarHBondContact O-CB 3.31Å; T93-E96 PolarHBondContact O-N 3.05Å; T93-E96 WeakPolarHBondContact OG1-CB 3.48Å; T93-E96 WeakPolarHBondContact OG1-CG 3.49Å; T93-E96 PolarHBondContact OG1-N 2.84Å; T93-E96 PolarHBondContact OG1-OE2 3.35Å; T93-M97 PolarHBondContact O-N 3.47Å |
| 94 | P | 66 | Low | 63.1 | Low | 64 Ų | 64 | 92.3 Ų | 92.3 | 42% | 0.416 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -54.7 | -32.3 | 176.9 | -28 | 35.2 | 0 | 0 | 0 | 113.6 | M97 R98 | P94-M97 PolarHBondContact O-N 3.09Å; P94-R98 VanDerWaalsContact O-CG 3.23Å; P94-R98 WeakPolarHBondContact O-CG 3.17Å; P94-R98 PolarHBondContact O-N 3.32Å; P94-R98 VanDerWaalsContact O-N 3.09Å |
| 95 | G | 64.5 | Low | 61.9 | Low | 51 Ų | 51 | 96.6 Ų | 96.6 | 53% | 0.526 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T93 R98 S99 | T93-G95 PolarHBondContact O-N 3.24Å; T93-G95 VanDerWaalsContact O-N 3.11Å; G95-R98 PolarHBondContact O-N 3.32Å; G95-S99 PolarHBondContact O-N 2.78Å |
| 96 | E | 66 | Low | 60.6 | Low | 95 Ų | 95 | 103.8 Ų | 103.8 | 44% | 0.444 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.5 | -33.9 | 175 | -68.2 | 164.5 | 151.4 | 0 | 0 | 112 | K92 T93 R98 S99 | K92-E96 HydrophobicContact CD-CB 4.31Å; K92-E96 VanDerWaalsContact CE-C 3.45Å; K92-E96 WeakPolarHBondContact CE-O 3.34Å; K92-E96 HydrophobicContact CG-CB 3.5Å; K92-E96 PolarHBondContact NZ-O 2.81Å; T93-E96 WeakPolarHBondContact CB-OE2 3.49Å; T93-E96 PolarHBondContact N-OE2 2.83Å; T93-E96 CarbonylContact O-C 3.6Å; T93-E96 WeakPolarHBondContact O-CA 3.05Å; T93-E96 WeakPolarHBondContact O-CB 3.31Å; T93-E96 PolarHBondContact O-N 3.05Å; T93-E96 WeakPolarHBondContact OG1-CB 3.48Å; T93-E96 WeakPolarHBondContact OG1-CG 3.49Å; T93-E96 PolarHBondContact OG1-N 2.84Å; T93-E96 PolarHBondContact OG1-OE2 3.35Å; E96-R98 VanDerWaalsContact C-N 3.33Å; E96-R98 PolarHBondContact O-N 3.44Å; E96-S99 PolarHBondContact O-N 3.4Å; E96-S99 PolarHBondContact O-OG 2.82Å |
| 97 | M | 64 | Low | 59.5 | Low | 18 Ų | 18 | 103.5 Ų | 103.5 | 9% | 0.089 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -60.6 | -43.7 | 173.4 | -77.6 | -179.6 | 69.7 | 0 | 0 | 112 | C49 C51 K92 T93 P94 S99 K100 Y101 | C49-M97 HydrophobicContact CB-CE 3.75Å; C51-M97 HydrophobicContact CB-CE 4.36Å; C51-M97 HydrophobicContact CB-SD 4.48Å; C51-M97 VanDerWaalsContact SG-CE 3.51Å; C51-M97 PolarHBondContact SG-SD 3.37Å; K92-M97 HydrophobicContact CB-CG 4.09Å; K92-M97 HydrophobicContact CD-CG 3.82Å; K92-M97 HydrophobicContact CG-CG 3.93Å; T93-M97 PolarHBondContact O-N 3.47Å; P94-M97 PolarHBondContact O-N 3.09Å; M97-S99 VanDerWaalsContact C-N 3.29Å; M97-S99 PolarHBondContact O-N 3.36Å; M97-K100 PolarHBondContact O-N 3.33Å; M97-Y101 VanDerWaalsContact O-CD2 3.31Å; M97-Y101 WeakPolarHBondContact O-CD2 3.23Å |
| 98 | R | 64.5 | Low | 58.2 | Low | 175 Ų | 175 | 105.7 Ų | 105.7 | 66% | 0.66 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.5 | -30.9 | 179.6 | -70.8 | 168.8 | -176.6 | -172.3 | 2.2 | 112.6 | P94 G95 E96 K100 Y101 N102 | P94-R98 VanDerWaalsContact O-CG 3.23Å; P94-R98 WeakPolarHBondContact O-CG 3.17Å; P94-R98 PolarHBondContact O-N 3.32Å; P94-R98 VanDerWaalsContact O-N 3.09Å; G95-R98 PolarHBondContact O-N 3.32Å; E96-R98 VanDerWaalsContact C-N 3.33Å; E96-R98 PolarHBondContact O-N 3.44Å; R98-K100 VanDerWaalsContact C-N 3.32Å; R98-K100 PolarHBondContact O-N 2.87Å; R98-Y101 PolarHBondContact O-N 2.72Å; R98-N102 PolarHBondContact O-N 2.94Å; R98-N102 PolarHBondContact O-OD1 3.48Å |
| 99 | S | 56.3 | Low | 57.1 | Low | 70 Ų | 70 | 105 Ų | 105 | 49% | 0.49 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.8 | -29.1 | -177.8 | 69.5 | 0 | 0 | 0 | 0 | 113.9 | G95 E96 M97 Y101 N102 | G95-S99 PolarHBondContact O-N 2.78Å; E96-S99 PolarHBondContact O-N 3.4Å; E96-S99 PolarHBondContact O-OG 2.82Å; M97-S99 VanDerWaalsContact C-N 3.29Å; M97-S99 PolarHBondContact O-N 3.36Å; S99-Y101 PolarHBondContact O-N 2.84Å; S99-N102 PolarHBondContact O-N 3.24Å |
| 100 | K | 59.9 | Low | 55.6 | Low | 133 Ų | 133 | 112.1 Ų | 112.1 | 58% | 0.578 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.4 | -17.4 | 173.6 | -79 | -173.2 | -172.1 | -173.1 | 0 | 113.3 | F20 M97 R98 | F20-K100 HydrophobicContact CE1-CD 4.44Å; M97-K100 PolarHBondContact O-N 3.33Å; R98-K100 VanDerWaalsContact C-N 3.32Å; R98-K100 PolarHBondContact O-N 2.87Å |
| 101 | Y | 53.9 | Low | 54.4 | Low | 79 Ų | 79 | 112.4 Ų | 112.4 | 31% | 0.31 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -92.8 | -25.6 | 174.4 | -67.9 | -79.1 | 0 | 0 | 0 | 113.5 | V48 C49 M97 R98 S99 G103 L104 | V48-Y101 WeakPolarHBondContact CA-OH 3.03Å; C49-Y101 WeakPolarHBondContact CA-OH 3.45Å; C49-Y101 HydrophobicContact CB-CE2 4.2Å; C49-Y101 VanDerWaalsContact CB-OH 3.26Å; C49-Y101 WeakPolarHBondContact CB-OH 3.45Å; C49-Y101 PolarHBondContact N-OH 3.11Å; C49-Y101 PolarHBondContact SG-OH 2.86Å; M97-Y101 VanDerWaalsContact O-CD2 3.31Å; M97-Y101 WeakPolarHBondContact O-CD2 3.23Å; R98-Y101 PolarHBondContact O-N 2.72Å; S99-Y101 PolarHBondContact O-N 2.84Å; Y101-G103 VanDerWaalsContact C-N 3.29Å; Y101-G103 PolarHBondContact O-N 2.98Å; Y101-L104 PolarHBondContact O-N 3.28Å |
| 102 | N | 51.7 | Low | 53.4 | Low | 135 Ų | 135 | 118.3 Ų | 118.3 | 72% | 0.722 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -76.2 | -17 | -177.4 | -70 | -6.6 | 0 | 0 | 0 | 113.2 | R98 S99 | R98-N102 PolarHBondContact O-N 2.94Å; R98-N102 PolarHBondContact O-OD1 3.48Å; S99-N102 PolarHBondContact O-N 3.24Å |
| 103 | G | 47.6 | Very low | 52.3 | Low | 67 Ų | 67 | 121.2 Ų | 121.2 | 69% | 0.691 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -8.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y101 | Y101-G103 VanDerWaalsContact C-N 3.29Å; Y101-G103 PolarHBondContact O-N 2.98Å |
| 104 | L | 48.2 | Very low | 51.6 | Low | 111 Ų | 111 | 123.8 Ų | 123.8 | 58% | 0.581 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -87.3 | 120.4 | 172.9 | -65.1 | 174.3 | 0 | 0 | 0 | 107.5 | Y101 R106 | Y101-L104 PolarHBondContact O-N 3.28Å; L104-R106 PolarHBondContact O-N 3.23Å |
| 105 | P | 43.7 | Very low | 50.7 | Low | 106 Ų | 106 | 124.8 Ų | 124.8 | 69% | 0.688 | 64% | 0.636 | S | S | * | * | trans | -56 | 115.2 | 169.3 | 23 | -28.8 | 0 | 0 | 0 | 105.2 | T107 | P105-T107 PolarHBondContact O-N 3.19Š| ||
| 106 | R | 46.2 | Very low | 50.1 | Low | 237 Ų | 237 | 128.6 Ų | 128.6 | 89% | 0.894 | 65% | 0.652 | S | S | * | * | trans | -47.1 | 93 | 163.4 | -98.2 | 175.9 | 147.3 | 165 | -4.4 | 105.2 | L104 S108 | L104-R106 PolarHBondContact O-N 3.23Å; R106-S108 PolarHBondContact O-N 3.3Å | ||
| 107 | T | 44.1 | Very low | 49.3 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 68% | 0.675 | 67% | 0.67 | S | S | * | * | trans | -57.8 | 119.2 | -179.8 | 54.6 | 0 | 0 | 0 | 0 | 103.7 | P105 Y109 | P105-T107 PolarHBondContact O-N 3.19Å; T107-Y109 WeakPolarHBondContact O-CD1 3.38Å; T107-Y109 PolarHBondContact O-N 3.17Å | ||
| 108 | S | 40.8 | Very low | 48.4 | Very low | 89 Ų | 89 | 145.1 Ų | 145.1 | 62% | 0.622 | 71% | 0.709 | S | S | * | * | trans | -68.9 | 75.5 | -167.2 | 58.4 | 0 | 0 | 0 | 0 | 109 | R106 R110 | R106-S108 PolarHBondContact O-N 3.3Å; S108-R110 PolarHBondContact O-N 3.12Å | ||
| 109 | Y | 44.7 | Very low | 47.4 | Very low | 201 Ų | 201 | 145.6 Ų | 145.6 | 79% | 0.788 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 9 | 169.7 | 61.3 | -94.9 | 0 | 0 | 0 | 111.7 | T107 | T107-Y109 WeakPolarHBondContact O-CD1 3.38Å; T107-Y109 PolarHBondContact O-N 3.17Å |
| 110 | R | 42.2 | Very low | 46.9 | Very low | 213 Ų | 213 | 154 Ų | 154 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | -0.5 | 180 | -111.5 | -179.7 | -172.5 | 174.7 | 2.7 | 117.1 | S108 | S108-R110 PolarHBondContact O-N 3.12Š|
| 111 | F | 42.1 | Very low | 46.1 | Very low | 171 Ų | 171 | 158.4 Ų | 158.4 | 75% | 0.75 | 75% | 0.752 | S | S | * | * | trans | -138.3 | 79.5 | 168.6 | -67.4 | -75.8 | 0 | 0 | 0 | 110 | S113 | F111-S113 PolarHBondContact O-N 2.99Š| ||
| 112 | R | 44.1 | Very low | 45.7 | Very low | 248 Ų | 248 | 165.3 Ų | 165.3 | 94% | 0.936 | 78% | 0.778 | S | S | * | * | trans | -64.9 | 91.4 | 162.8 | -157 | 179.2 | -158.5 | -133.2 | 6.3 | 106.3 | P114 | R112-P114 WeakPolarHBondContact O-CD 3.27Š| ||
| 113 | S | 44.2 | Very low | 45.2 | Very low | 100 Ų | 100 | 168.2 Ų | 168.2 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | -42.9 | 122.4 | 176.2 | -55.5 | 0 | 0 | 0 | 0 | 109.6 | F111 S115 | F111-S113 PolarHBondContact O-N 2.99Å; S113-S115 PolarHBondContact O-N 3.07Å | ||
| 114 | P | 49.1 | Very low | 44.7 | Very low | 127 Ų | 127 | 171 Ų | 171 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -56.7 | 112.1 | 171.6 | -25.1 | 34.7 | 0 | 0 | 0 | 108.3 | R112 | R112-P114 WeakPolarHBondContact O-CD 3.27Š| ||
| 115 | S | 47.8 | Very low | 44.3 | Very low | 84 Ų | 84 | 175.4 Ų | 175.4 | 59% | 0.587 | 80% | 0.796 | S | S | * | * | trans | -34 | 125.3 | 177.3 | 178.2 | 0 | 0 | 0 | 0 | 112.2 | S113 R117 | S113-S115 PolarHBondContact O-N 3.07Å; S115-R117 PolarHBondContact O-N 3.11Å | ||
| 116 | P | 50.8 | Low | 44 | Very low | 131 Ų | 131 | 175.5 Ų | 175.5 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 23.8 | -177.4 | 28.8 | -33 | 0 | 0 | 0 | 113.5 | ||
| 117 | R | 49.5 | Very low | 43.7 | Very low | 221 Ų | 221 | 174.9 Ų | 174.9 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | 12.7 | -168.8 | -67 | -167.8 | 175.3 | -165.4 | -0.2 | 115.6 | S115 | S115-R117 PolarHBondContact O-N 3.11Š|
| 118 | R | 45.4 | Very low | 43.3 | Very low | 240 Ų | 240 | 174.9 Ų | 174.9 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | -126.5 | 12.1 | -175.4 | -101.8 | -176.2 | -169.4 | -114.9 | 2.7 | 118.9 | ||||
| 119 | H | 42.9 | Very low | 43.3 | Very low | 185 Ų | 185 | 181.2 Ų | 181.2 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | -94.9 | 14.9 | 176.8 | -127.2 | -54.8 | 0 | 0 | 0 | 115.9 | R121 | H119-R121 PolarHBondContact O-N 3.31Š| ||
| 120 | R | 46.7 | Very low | 43 | Very low | 247 Ų | 247 | 176.4 Ų | 176.4 | 93% | 0.932 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -85.8 | 11.2 | -176.8 | -93.6 | -171.8 | -177.4 | 179 | 1.2 | 116.4 | ||
| 121 | R | 43.3 | Very low | 42.9 | Very low | 224 Ų | 224 | 177.5 Ų | 177.5 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -141.5 | 133.1 | -179.1 | -89.1 | -177.6 | 172.1 | -174.8 | -2.9 | 111.7 | H119 | H119-R121 PolarHBondContact O-N 3.31Š| ||
| 122 | R | 44.4 | Very low | 42.8 | Very low | 224 Ų | 224 | 175.4 Ų | 175.4 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | 89.8 | 113.9 | 177.1 | -52.7 | 171.4 | 177.1 | -142.3 | -3.9 | 110.5 | ||||
| 123 | R | 40.7 | Very low | 42.4 | Very low | 197 Ų | 197 | 174.3 Ų | 174.3 | 74% | 0.743 | 81% | 0.809 | S | S | * | * | cis | -166.2 | 108.3 | 35.3 | -159 | 173.4 | -171.2 | 109.3 | -2.1 | 108.6 | R125 | R123-R125 PolarHBondContact O-N 3.3Å; R123-R125 VanDerWaalsContact O-N 3.16Å | ||
| 124 | S | 38.1 | Very low | 42.1 | Very low | 124 Ų | 124 | 173.6 Ų | 173.6 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -63.6 | 108.1 | 166.7 | -35.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 125 | R | 39.2 | Very low | 41.6 | Very low | 205 Ų | 205 | 178.7 Ų | 178.7 | 77% | 0.774 | 81% | 0.807 | S | S | * | * | trans | -147.4 | 88 | 165.9 | -119 | 177.2 | 177.3 | 88.8 | -6 | 109.5 | R123 | R123-R125 PolarHBondContact O-N 3.3Å; R123-R125 VanDerWaalsContact O-N 3.16Å | ||
| 126 | S | 37.8 | Very low | 41.1 | Very low | 107 Ų | 107 | 180.9 Ų | 180.9 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | trans | -50 | 132.5 | 165.5 | 21.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 127 | R | 40.4 | Very low | 40.7 | Very low | 224 Ų | 224 | 178.3 Ų | 178.3 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | -172.1 | 89.7 | 144.5 | -106.8 | 168.9 | -179.7 | 94.5 | -5 | 110.6 | ||||
| 128 | S | 34.3 | Very low | 40.1 | Very low | 111 Ų | 111 | 173 Ų | 173 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | -52.1 | 129.6 | 154.3 | 46.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 129 | R | 42.6 | Very low | 39.7 | Very low | 221 Ų | 221 | 171.9 Ų | 171.9 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | -174.6 | 93.1 | 148.4 | -102.8 | 161 | -168.8 | 151.4 | 3.2 | 109.9 | ||||
| 130 | S | 37.9 | Very low | 39.4 | Very low | 100 Ų | 100 | 170.4 Ų | 170.4 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | trans | 3.5 | 125 | 132 | 36.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 131 | R | 39.6 | Very low | 39.2 | Very low | 236 Ų | 236 | 169.5 Ų | 169.5 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | 176.5 | 114 | 123.5 | -96.9 | 160.5 | -179.7 | 147.7 | -1.2 | 111.8 | |||||
| 132 | T | 39.6 | Very low | 38.9 | Very low | 127 Ų | 127 | 163.8 Ų | 163.8 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -45.4 | 138.1 | 155.3 | 42 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 133 | R | 35.9 | Very low | 38.8 | Very low | 225 Ų | 225 | 162.6 Ų | 162.6 | 85% | 0.849 | 80% | 0.799 | S | S | * | * | trans | 171.3 | 105.9 | 136.4 | -100.7 | 175 | 166.8 | 103.5 | -4 | 112.8 | ||||
| 134 | S | 38.7 | Very low | 38.7 | Very low | 85 Ų | 85 | 162.9 Ų | 162.9 | 59% | 0.594 | 80% | 0.8 | S | S | * | * | 30.4 | 126.8 | 125.8 | 60.4 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 135 | R | 37.7 | Very low | 38.8 | Very low | 235 Ų | 235 | 165.7 Ų | 165.7 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | 166.1 | 137.8 | 111.1 | -91.1 | 166.6 | 176.2 | 143.3 | -3.2 | 113.3 | |||||
| 136 | S | 36.6 | Very low | 38.8 | Very low | 130 Ų | 130 | 162.8 Ų | 162.8 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -55.7 | 146.8 | 176 | -28.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 137 | G | 42.6 | Very low | 38.7 | Very low | 76 Ų | 76 | 168 Ų | 168 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | -155.3 | 66.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 138 | S | 37.9 | Very low | 38.8 | Very low | 110 Ų | 110 | 166 Ų | 166 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -63 | 134.7 | 154.8 | 57.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 139 | R | 36 | Very low | 38.7 | Very low | 216 Ų | 216 | 165.3 Ų | 165.3 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | trans | 171.5 | 119.7 | 146.2 | -98.1 | 175.7 | -172.3 | 178.9 | 1.2 | 113.2 | ||||
| 140 | H | 37.9 | Very low | 38.5 | Very low | 155 Ų | 155 | 160 Ų | 160 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | trans | 73.1 | 120.1 | 142.9 | -51.7 | -54.7 | 0 | 0 | 0 | 120.6 | ||||
| 141 | R | 42.3 | Very low | 38.2 | Very low | 228 Ų | 228 | 160.7 Ų | 160.7 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | 152.7 | 78.9 | 120.3 | -81 | 168.8 | -177.9 | 152.4 | -0.3 | 110.2 | |||||
| 142 | S | 35.7 | Very low | 38.2 | Very low | 104 Ų | 104 | 154.4 Ų | 154.4 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | 33.8 | 101.3 | 100.3 | 65.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 143 | H | 42.7 | Very low | 38 | Very low | 198 Ų | 198 | 159 Ų | 159 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | trans | -141.4 | 123.5 | 145.7 | -95.4 | 59.3 | 0 | 0 | 0 | 108.4 | ||||
| 144 | R | 38.7 | Very low | 38.1 | Very low | 203 Ų | 203 | 158.6 Ų | 158.6 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | -125.7 | 119 | -161.9 | -177.5 | -169.8 | -161.1 | -150.8 | 8.1 | 106.3 | ||||
| 145 | H | 40.5 | Very low | 38 | Very low | 184 Ų | 184 | 162.5 Ų | 162.5 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | trans | -151.1 | 97.5 | 162.7 | -96.7 | -58.4 | 0 | 0 | 0 | 107.9 | ||||
| 146 | K | 40.2 | Very low | 38.3 | Very low | 143 Ų | 143 | 159 Ų | 159 | 62% | 0.622 | 79% | 0.786 | S | S | * | * | 54.4 | 100.4 | 83 | -71.4 | -166.1 | 178.9 | -177.9 | 0 | 112.4 | |||||
| 147 | R | 35.1 | Very low | 38.6 | Very low | 216 Ų | 216 | 164.3 Ų | 164.3 | 82% | 0.815 | 79% | 0.786 | S | S | * | * | 79.1 | 118 | 99.6 | -78.3 | -174.6 | -179.6 | -158.8 | -1.3 | 111.9 | |||||
| 148 | H | 42.5 | Very low | 38.3 | Very low | 183 Ų | 183 | 165.4 Ų | 165.4 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | trans | 177.7 | 100.7 | 138.1 | -79.8 | -51.8 | 0 | 0 | 0 | 107.2 | ||||
| 149 | S | 32 | Very low | 38.5 | Very low | 97 Ų | 97 | 171.4 Ų | 171.4 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | 58.8 | 128.3 | 87.2 | 59.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 150 | S | 37.5 | Very low | 38.6 | Very low | 110 Ų | 110 | 171.9 Ų | 171.9 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | 108.2 | 101.5 | 160.3 | -39.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 151 | S | 31.8 | Very low | 38.7 | Very low | 114 Ų | 114 | 168.7 Ų | 168.7 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | 72.1 | 101.9 | 88.3 | -169.6 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 152 | S | 40 | Very low | 38.7 | Very low | 104 Ų | 104 | 166.5 Ų | 166.5 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | 177.6 | 108.3 | 80.3 | 42.2 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 153 | R | 36.5 | Very low | 39 | Very low | 224 Ų | 224 | 168.9 Ų | 168.9 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | 47 | 108.9 | 91.1 | -74.8 | -175.3 | 179.7 | 166.9 | 1.2 | 115.9 | |||||
| 154 | R | 37.5 | Very low | 39.2 | Very low | 216 Ų | 216 | 167.5 Ų | 167.5 | 82% | 0.815 | 78% | 0.782 | S | S | * | * | trans | 82.8 | 113.9 | 132.6 | -68.8 | 175.5 | 170.9 | -176.5 | -3.6 | 117.8 | ||||
| 155 | H | 36.3 | Very low | 39.7 | Very low | 167 Ų | 167 | 162.9 Ų | 162.9 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | -146.2 | 104.6 | 117.9 | -114.2 | 58.8 | 0 | 0 | 0 | 112.6 | |||||
| 156 | K | 44.9 | Very low | 40.3 | Very low | 161 Ų | 161 | 160.5 Ų | 160.5 | 70% | 0.7 | 77% | 0.774 | S | S | * | * | trans | 38 | 126.1 | 139.5 | -44.8 | -172.2 | -179.9 | -179.1 | 0 | 117.1 | ||||
| 157 | R | 41.3 | Very low | 40.5 | Very low | 241 Ų | 241 | 161.1 Ų | 161.1 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | -168.6 | 145.5 | 69.2 | -88.7 | 174.6 | 171.9 | 121.8 | -3.4 | 111.9 | |||||
| 158 | S | 38 | Very low | 41 | Very low | 99 Ų | 99 | 155.1 Ų | 155.1 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | -77.5 | 168.9 | 176.3 | 50.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 159 | R | 42.1 | Very low | 41.5 | Very low | 237 Ų | 237 | 153.4 Ų | 153.4 | 89% | 0.894 | 78% | 0.777 | S | S | * | * | trans | 96.8 | 124.9 | 165.3 | -58 | 171.2 | -178.3 | 169.3 | -0.1 | 112.4 | ||||
| 160 | R | 37.1 | Very low | 42.3 | Very low | 226 Ų | 226 | 157.4 Ų | 157.4 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | cis | -177.5 | 133.7 | 8.1 | -177.3 | 171.1 | -172.5 | 171.4 | 1.3 | 104.8 | ||||
| 161 | S | 39.4 | Very low | 42.5 | Very low | 87 Ų | 87 | 158.4 Ų | 158.4 | 61% | 0.608 | 79% | 0.786 | S | S | * | * | trans | 34.9 | 137.3 | 140 | -44 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 162 | E | 44 | Very low | 43.2 | Very low | 183 Ų | 183 | 158.3 Ų | 158.3 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | cis | -177.9 | 156.4 | 14.4 | -106 | 151.5 | 168.2 | 0 | 0 | 104.7 | ||||
| 163 | D | 41.1 | Very low | 43.6 | Very low | 153 Ų | 153 | 161.6 Ų | 161.6 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | 85.9 | 71.2 | 169.3 | -126.6 | 0.7 | 0 | 0 | 0 | 118.5 | ||||
| 164 | H | 46.6 | Very low | 44.2 | Very low | 169 Ų | 169 | 158.6 Ų | 158.6 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | trans | -114.8 | 106.1 | 155.5 | -121.1 | 43.3 | 0 | 0 | 0 | 106.8 | D166 | H164-D166 PolarHBondContact O-N 3.12Š| ||
| 165 | S | 50.6 | Low | 44.3 | Very low | 106 Ų | 106 | 151.9 Ų | 151.9 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | -79.2 | 97.6 | 161 | 11.9 | 0 | 0 | 0 | 0 | 106.2 | D167 | S165-D167 PolarHBondContact O-N 3.17Å; S165-D167 VanDerWaalsContact O-N 3.17Å | ||
| 166 | D | 51.4 | Low | 44.9 | Very low | 134 Ų | 134 | 149.5 Ų | 149.5 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | trans | -60.2 | 115.1 | 179.8 | -76 | -65.8 | 0 | 0 | 0 | 111.1 | H164 A168 | H164-D166 PolarHBondContact O-N 3.12Å; D166-A168 PolarHBondContact O-N 3.12Å | ||
| 167 | D | 45.9 | Very low | 44.9 | Very low | 157 Ų | 157 | 147.7 Ų | 147.7 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | -52.9 | 96 | 157.9 | -72.4 | -75.6 | 0 | 0 | 0 | 110.6 | S165 | S165-D167 PolarHBondContact O-N 3.17Å; S165-D167 VanDerWaalsContact O-N 3.17Å | ||
| 168 | A | 44.9 | Very low | 45.4 | Very low | 90 Ų | 90 | 146.2 Ų | 146.2 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | -121.7 | 68.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | D166 E170 | D166-A168 PolarHBondContact O-N 3.12Å; A168-E170 PolarHBondContact O-N 3.14Å | ||
| 169 | I | 52.9 | Low | 45.6 | Very low | 147 Ų | 147 | 149.6 Ų | 149.6 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | trans | -83.2 | 90.2 | 165.7 | 30.6 | 173.4 | 0 | 0 | 0 | 109.4 | V171 | I169-V171 PolarHBondContact O-N 3.17Š| ||
| 170 | E | 48.5 | Very low | 46 | Very low | 181 Ų | 181 | 144.6 Ų | 144.6 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -53.1 | 112.1 | 155.7 | -82.2 | -98.1 | 135.4 | 0 | 0 | 109.4 | A168 | A168-E170 PolarHBondContact O-N 3.14Š| ||
| 171 | V | 42.6 | Very low | 46.4 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -100.8 | 93.1 | 173.7 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | I169 | I169-V171 PolarHBondContact O-N 3.17Š| ||
| 172 | V | 46.5 | Very low | 46.7 | Very low | 111 Ų | 111 | 145.8 Ų | 145.8 | 67% | 0.673 | 79% | 0.786 | S | S | * | * | trans | -146.7 | 120 | 160.3 | -164.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 173 | K | 48.5 | Very low | 47 | Very low | 174 Ų | 174 | 146.6 Ų | 146.6 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 68.1 | 109.5 | 155.8 | -83.4 | 169.4 | 173.8 | 171.6 | 0 | 119.3 | ||
| 174 | D | 48.2 | Very low | 46.9 | Very low | 160 Ų | 160 | 142.3 Ų | 142.3 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | 78.8 | 111.5 | 145.4 | -50.5 | -39.5 | 0 | 0 | 0 | 117.5 | ||||
| 175 | G | 38.7 | Very low | 46.7 | Very low | 76 Ų | 76 | 144.9 Ų | 144.9 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | trans | 131.2 | 90.9 | 151.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 176 | S | 49.3 | Very low | 46.3 | Very low | 117 Ų | 117 | 146.9 Ų | 146.9 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 22.1 | 134.9 | 150.5 | -55.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 177 | P | 44.8 | Very low | 45.8 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -82.3 | 143.2 | 170.5 | 35.2 | -30.2 | 0 | 0 | 0 | 111.4 | ||||
| 178 | K | 52 | Low | 45.9 | Very low | 210 Ų | 210 | 144 Ų | 144 | 91% | 0.913 | 79% | 0.785 | S | S | * | * | trans | -108.9 | 137 | 167 | -88.4 | -169.6 | 172.8 | -176.4 | 0 | 110.6 | ||||
| 179 | E | 43.5 | Very low | 45.9 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | -82.6 | 163.8 | -177.9 | -52 | 169.2 | -168.6 | 0 | 0 | 109.9 | ||||
| 180 | N | 49 | Very low | 45.4 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | 126.8 | 108.5 | 151.1 | -58.9 | -4.5 | 0 | 0 | 0 | 114.8 | ||||
| 181 | E | 46 | Very low | 45.3 | Very low | 161 Ų | 161 | 138.3 Ų | 138.3 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | 87.5 | 103.9 | 98.2 | -70.9 | -168.4 | 128.6 | 0 | 0 | 112.5 | |||||
| 182 | K | 45.9 | Very low | 45.4 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | 76.6 | 90.8 | 83.1 | -171.6 | -166.7 | -172.2 | -177.6 | 0 | 113.7 | |||||
| 183 | H | 49.5 | Very low | 45.5 | Very low | 200 Ų | 200 | 140.6 Ų | 140.6 | 93% | 0.926 | 79% | 0.793 | S | S | * | * | trans | -168.2 | 137.9 | 149.3 | -66 | -60.9 | 0 | 0 | 0 | 106.8 | ||||
| 184 | G | 39.1 | Very low | 45.2 | Very low | 64 Ų | 64 | 141 Ų | 141 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | cis | 121.9 | 88.2 | 14.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 185 | R | 42.2 | Very low | 44.8 | Very low | 222 Ų | 222 | 141.3 Ų | 141.3 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | 76.4 | 156.4 | 145.2 | -58.2 | -177.1 | 172 | -168.7 | -7.3 | 123.2 | ||||
| 186 | H | 42.6 | Very low | 44.9 | Very low | 148 Ų | 148 | 142.5 Ų | 142.5 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | trans | 91.7 | 108.4 | 153 | -42.6 | -67.3 | 0 | 0 | 0 | 116.8 | ||||
| 187 | S | 42.1 | Very low | 44.7 | Very low | 114 Ų | 114 | 147.8 Ų | 147.8 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | 82.9 | 122.3 | 63.8 | -64.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 188 | S | 46.1 | Very low | 44.6 | Very low | 117 Ų | 117 | 147.4 Ų | 147.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 131.1 | 139.9 | 158.3 | 67.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 189 | S | 46.4 | Very low | 44.5 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | cis | 166.1 | 143.1 | 8.5 | 42.4 | 0 | 0 | 0 | 0 | 103.7 | ||||
| 190 | G | 41.4 | Very low | 44.7 | Very low | 82 Ų | 82 | 142.5 Ų | 142.5 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | 174.2 | 88.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 191 | S | 46.3 | Very low | 44.7 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | trans | -64.7 | 147.8 | 173.3 | 46.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 192 | E | 46.1 | Very low | 44.5 | Very low | 174 Ų | 174 | 142.7 Ų | 142.7 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | 143.8 | 140.4 | 105 | -102.6 | 153.3 | 119 | 0 | 0 | 104.7 | |||||
| 193 | S | 47.1 | Very low | 44.6 | Very low | 117 Ų | 117 | 145 Ų | 145 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | cis | -178.3 | 162.7 | 50 | 39.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 194 | Q | 43.8 | Very low | 44.3 | Very low | 183 Ų | 183 | 142 Ų | 142 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | -85 | 146.1 | -167.4 | -56.1 | 171.1 | -39.5 | 0 | 0 | 113.4 | ||||
| 195 | H | 39 | Very low | 44.2 | Very low | 166 Ų | 166 | 146.4 Ų | 146.4 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -154.4 | 109.3 | 142.9 | -145.9 | 55.2 | 0 | 0 | 0 | 113.1 | ||||
| 196 | S | 41.5 | Very low | 44.2 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | -81.8 | 133.9 | 174.1 | -36.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 197 | R | 44 | Very low | 44.4 | Very low | 229 Ų | 229 | 145.9 Ų | 145.9 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -151.1 | 110.6 | 147.1 | -73.4 | -157.9 | 169 | 161.6 | -3.8 | 111.6 | ||||
| 198 | S | 41.9 | Very low | 44.8 | Very low | 113 Ų | 113 | 146 Ų | 146 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -76.8 | 141.8 | 168 | 43.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 199 | V | 50.3 | Low | 44.9 | Very low | 147 Ų | 147 | 146.7 Ų | 146.7 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | trans | -165.3 | 113.8 | 146.6 | -96.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 200 | T | 48.4 | Very low | 45.1 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -78 | 158.7 | 157.5 | 48.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 201 | P | 49.1 | Very low | 45.4 | Very low | 124 Ų | 124 | 150.8 Ų | 150.8 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | -148.2 | 161.7 | 97 | 34.9 | -15.7 | 0 | 0 | 0 | 116.2 | |||||
| 202 | E | 40.9 | Very low | 45.6 | Very low | 171 Ų | 171 | 154.7 Ų | 154.7 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | -35.4 | 148.2 | 168.1 | -46.1 | -166.3 | 130 | 0 | 0 | 118.8 | ||||
| 203 | R | 47.9 | Very low | 45.6 | Very low | 227 Ų | 227 | 153.4 Ų | 153.4 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | 162.6 | 114.6 | 116.9 | -90.2 | 172.2 | -179.7 | -171.5 | -1.4 | 110 | |||||
| 204 | D | 43.6 | Very low | 45.7 | Very low | 135 Ų | 135 | 152.9 Ų | 152.9 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | 90.6 | 101.1 | 75 | -152.7 | 19.1 | 0 | 0 | 0 | 111.8 | |||||
| 205 | M | 38.2 | Very low | 46 | Very low | 158 Ų | 158 | 148 Ų | 148 | 78% | 0.778 | 81% | 0.805 | S | S | * | * | trans | 57.1 | 138.4 | 139 | -60.9 | -68.3 | 148.1 | 0 | 0 | 122.1 | ||||
| 206 | S | 42 | Very low | 46.7 | Very low | 106 Ų | 106 | 148.7 Ų | 148.7 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | 95.5 | 99.1 | 150.5 | -36.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 207 | R | 46.4 | Very low | 47.5 | Very low | 253 Ų | 253 | 153.2 Ų | 153.2 | 96% | 0.955 | 82% | 0.819 | S | S | * | * | -171 | 120 | 123.6 | -104.3 | 161.4 | -177.3 | -139 | -1.1 | 113.1 | |||||
| 208 | S | 51 | Low | 48 | Very low | 116 Ų | 116 | 149.1 Ų | 149.1 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | trans | -69.9 | 164.1 | -175 | -50.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 209 | P | 47.8 | Very low | 48.2 | Very low | 131 Ų | 131 | 147.3 Ų | 147.3 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | trans | -93.8 | 140.7 | 176.3 | 34.8 | -28.8 | 0 | 0 | 0 | 113.1 | ||||
| 210 | S | 50.1 | Low | 48.4 | Very low | 107 Ų | 107 | 149.1 Ų | 149.1 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | -155.9 | 111.7 | 170.6 | 58.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 211 | H | 47.5 | Very low | 49.1 | Very low | 178 Ų | 178 | 148.6 Ų | 148.6 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | 89.5 | 158.4 | 94.6 | -108.4 | -29.7 | 0 | 0 | 0 | 114.4 | |||||
| 212 | H | 50.2 | Low | 49.2 | Very low | 181 Ų | 181 | 148 Ų | 148 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | 86.2 | 130 | -171.1 | -46.4 | -67.9 | 0 | 0 | 0 | 113.5 | ||||
| 213 | D | 47.9 | Very low | 49.5 | Very low | 148 Ų | 148 | 151.8 Ų | 151.8 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | cis | -161.3 | 152 | 24.2 | -171.4 | 25.9 | 0 | 0 | 0 | 110.9 | ||||
| 214 | S | 48.3 | Very low | 49.7 | Very low | 105 Ų | 105 | 145.8 Ų | 145.8 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | -84.5 | 145.3 | -175.6 | 39.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 215 | G | 49.5 | Very low | 50 | Low | 81 Ų | 81 | 144.6 Ų | 144.6 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -154.1 | 97.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 216 | E | 54.8 | Low | 50.8 | Low | 181 Ų | 181 | 147.8 Ų | 147.8 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | -68.6 | 137.1 | 170.2 | -65.8 | 168.8 | 94.3 | 0 | 0 | 111.1 | ||||
| 217 | E | 57.7 | Low | 51.3 | Low | 194 Ų | 194 | 151.9 Ų | 151.9 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | trans | -148.3 | 116.7 | 143.6 | -162.6 | -179.9 | 140.1 | 0 | 0 | 110.1 | ||||
| 218 | N | 53.9 | Low | 51.5 | Low | 144 Ų | 144 | 143 Ų | 143 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | trans | -76 | 134.4 | 176.5 | -70.8 | -71.9 | 0 | 0 | 0 | 110.4 | ||||
| 219 | G | 46 | Very low | 51.8 | Low | 74 Ų | 74 | 142.5 Ų | 142.5 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | trans | -155.7 | 81.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 220 | Q | 56 | Low | 52.5 | Low | 185 Ų | 185 | 144 Ų | 144 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -67.5 | 143.6 | 172.1 | -60.9 | 175.1 | -85.8 | 0 | 0 | 111.3 | ||||
| 221 | P | 62.8 | Low | 52.9 | Low | 121 Ų | 121 | 145.2 Ų | 145.2 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | trans | -94.4 | 115.8 | 155.2 | 30.8 | -24.9 | 0 | 0 | 0 | 110.2 | ||||
| 222 | S | 51.4 | Low | 53.7 | Low | 113 Ų | 113 | 144.8 Ų | 144.8 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -62.1 | 132.3 | 174.3 | -48.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 223 | R | 46.3 | Very low | 54.2 | Low | 249 Ų | 249 | 141.1 Ų | 141.1 | 94% | 0.94 | 81% | 0.805 | S | S | * | * | trans | -92.8 | 121.9 | 167.9 | -57.6 | 173.4 | 176.4 | -171.4 | -2.9 | 108.4 | ||||
| 224 | S | 53.2 | Low | 55 | Low | 102 Ų | 102 | 143 Ų | 143 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | trans | -178 | 144.3 | 163 | 55.8 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 225 | S | 50.3 | Low | 55.5 | Low | 109 Ų | 109 | 143.8 Ų | 143.8 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | cis | 179.6 | 167.6 | -6.2 | -78.3 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 226 | R | 53 | Low | 56.4 | Low | 225 Ų | 225 | 146.3 Ų | 146.3 | 85% | 0.849 | 81% | 0.813 | S | S | * | * | trans | 87.3 | 104.7 | 170.6 | -70.6 | 176.5 | 154.9 | -179.9 | -7.2 | 116.2 | ||||
| 227 | E | 54.3 | Low | 56.8 | Low | 192 Ų | 192 | 143 Ų | 143 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | 66.2 | 111.9 | 73.2 | -71.9 | -171.4 | 127.1 | 0 | 0 | 112.8 | |||||
| 228 | G | 49.7 | Very low | 56.6 | Low | 66 Ų | 66 | 137.2 Ų | 137.2 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | trans | -172.4 | 96.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 229 | S | 57.3 | Low | 57.4 | Low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | 70.1 | 104.2 | 135.7 | -36.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 230 | Q | 62 | Low | 58.4 | Low | 162 Ų | 162 | 142.8 Ų | 142.8 | 76% | 0.757 | 81% | 0.808 | S | S | * | * | 68 | 102.3 | 90.8 | -69.9 | -168.6 | -76.2 | 0 | 0 | 112.4 | |||||
| 231 | D | 58.3 | Low | 59.1 | Low | 132 Ų | 132 | 139.5 Ų | 139.5 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | 96.8 | 87.7 | 88.1 | -71.6 | -34.7 | 0 | 0 | 0 | 109.7 | |||||
| 232 | D | 65.6 | Low | 59.8 | Low | 169 Ų | 169 | 139.4 Ų | 139.4 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | trans | -136.9 | 99.8 | 160.2 | -78.1 | -52.9 | 0 | 0 | 0 | 108.3 | ||||
| 233 | A | 60.1 | Low | 60.5 | Low | 104 Ų | 104 | 143 Ų | 143 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -87.4 | 114.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 234 | E | 64.5 | Low | 61.9 | Low | 188 Ų | 188 | 136.8 Ų | 136.8 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | -118.1 | 111.3 | 159.1 | -78.1 | -155.2 | 125.8 | 0 | 0 | 110 | ||||
| 235 | S | 59.8 | Low | 62 | Low | 122 Ų | 122 | 144.6 Ų | 144.6 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -53.5 | 127.7 | 167.6 | -70.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 236 | V | 66.6 | Low | 62.6 | Low | 133 Ų | 133 | 146.4 Ų | 146.4 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | trans | -132.9 | 105.1 | 153.5 | -169.6 | 0 | 0 | 0 | 0 | 108.3 | G238 | V236-G238 PolarHBondContact O-N 3.35Š| ||
| 237 | S | 64.2 | Low | 63.1 | Low | 111 Ų | 111 | 142.2 Ų | 142.2 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -42.6 | 126 | 159.1 | 47.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 238 | G | 54.3 | Low | 63.6 | Low | 74 Ų | 74 | 139.4 Ų | 139.4 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | 84.7 | 79.9 | 64.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | V236 | V236-G238 PolarHBondContact O-N 3.35Š| |||
| 239 | E | 69.8 | Low | 64.4 | Low | 180 Ų | 180 | 143.8 Ų | 143.8 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | trans | -152.1 | 108.6 | 152.9 | -147.8 | 170.3 | -173.4 | 0 | 0 | 108.9 | ||||
| 240 | I | 66.1 | Low | 64.9 | Low | 154 Ų | 154 | 146.1 Ų | 146.1 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | trans | -82.7 | 119.3 | 175.8 | -66.4 | 168.6 | 0 | 0 | 0 | 106.5 | ||||
| 241 | I | 71.1 | Confident | 65.1 | Low | 116 Ų | 116 | 145 Ų | 145 | 60% | 0.595 | 82% | 0.817 | S | S | * | * | trans | -111 | 98.8 | 166.5 | -53.9 | 178.6 | 0 | 0 | 0 | 107.1 | Y243 | I241-Y243 HydrophobicContact CB-CE2 4.35Å; I241-Y243 HydrophobicContact CG2-CD2 3.93Å; I241-Y243 HydrophobicContact CG2-CE2 3.29Å | ||
| 242 | T | 77.1 | Confident | 65.6 | Low | 119 Ų | 119 | 145.9 Ų | 145.9 | 73% | 0.73 | 83% | 0.825 | S | S | * | * | trans | -78.1 | 127.7 | 170.1 | -50.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 243 | Y | 66.6 | Low | 65.6 | Low | 190 Ų | 190 | 144.2 Ų | 144.2 | 75% | 0.745 | 82% | 0.818 | S | S | * | * | trans | -112.1 | 139.7 | 163.3 | -71 | -82 | 0 | 0 | 0 | 109.3 | I241 | I241-Y243 HydrophobicContact CB-CE2 4.35Å; I241-Y243 HydrophobicContact CG2-CD2 3.93Å; I241-Y243 HydrophobicContact CG2-CE2 3.29Å | ||
| 244 | P | 75.7 | Confident | 66 | Low | 117 Ų | 117 | 147.5 Ų | 147.5 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | trans | -74.7 | 153.7 | 173.1 | 35.5 | -35.2 | 0 | 0 | 0 | 109.1 | ||||
| 245 | Q | 56.3 | Low | 66.1 | Low | 266 Ų | 266 | 143.8 Ų | 143.8 | 100% | 1.243 | 81% | 0.809 | S | S | * | * | cis | -139.1 | 0 | 12.4 | -72.8 | -174.5 | -26 | 0 | 0 | 109.5 |
Retrieved 245 of 245 residues in 110.7 ms
(Link to these results)