| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 30.9 | Very low | 48 | Very low | 222 Ų | 222 | 113.5 Ų | 113.5 | 100% | 1.094 | 63% | 0.633 | S | S | * | * | 0 | 139.7 | 0 | -79.8 | 174.4 | 163.7 | 0 | 0 | 107.9 | |||||
| 2 | E | 21 | Very low | 50.2 | Low | 178 Ų | 178 | 113.8 Ų | 113.8 | 83% | 0.832 | 62% | 0.623 | S | S | * | * | trans | -71.5 | 157.1 | 159.8 | -67.4 | -176.2 | 136.7 | 0 | 0 | 109.6 | I4 | E2-I4 PolarHBondContact O-N 2.98Å; E2-I4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | P | 24.8 | Very low | 52.7 | Low | 127 Ų | 127 | 114.7 Ų | 114.7 | 83% | 0.825 | 62% | 0.617 | S | S | * | * | trans | -64.3 | 116.4 | 174.7 | 26.6 | -34 | 0 | 0 | 0 | 110.2 | G5 | P3-G5 PolarHBondContact O-N 2.94Š| ||
| 4 | I | 31.1 | Very low | 54.6 | Low | 119 Ų | 119 | 110.8 Ų | 110.8 | 61% | 0.61 | 60% | 0.599 | S | S | * | * | trans | -61.2 | 111.1 | 177.1 | -59.8 | 174 | 0 | 0 | 0 | 108.5 | E2 L7 | E2-I4 PolarHBondContact O-N 2.98Å; E2-I4 VanDerWaalsContact O-N 3.16Å; I4-L7 HydrophobicContact CG2-CD1 4.07Å | ||
| 5 | G | 31.1 | Very low | 55.9 | Low | 57 Ų | 57 | 110.1 Ų | 110.1 | 59% | 0.588 | 60% | 0.6 | S | S | * | * | trans | -58.1 | 151.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P3 L7 | P3-G5 PolarHBondContact O-N 2.94Å; G5-L7 PolarHBondContact O-N 3.45Å; G5-L7 VanDerWaalsContact O-N 3.07Å | ||
| 6 | N | 40.7 | Very low | 56.4 | Low | 113 Ų | 113 | 107.8 Ų | 107.8 | 60% | 0.604 | 59% | 0.594 | S | S | * | * | trans | -50 | 118.1 | -178.5 | -70.2 | -77.8 | 0 | 0 | 0 | 110.9 | Q8 K42 | N6-Q8 PolarHBondContact O-N 3.03Å; N6-K42 PolarHBondContact OD1-NZ 3.18Å; N6-K42 VanDerWaalsContact OD1-NZ 3.15Å | ||
| 7 | L | 54 | Low | 56.7 | Low | 60 Ų | 60 | 106.4 Ų | 106.4 | 31% | 0.314 | 61% | 0.61 | S | S | . | * | trans | -65.5 | 97.3 | 174.1 | -77.9 | 98 | 0 | 0 | 0 | 109.7 | I4 G5 V9 D34 H38 | I4-L7 HydrophobicContact CG2-CD1 4.07Å; G5-L7 PolarHBondContact O-N 3.45Å; G5-L7 VanDerWaalsContact O-N 3.07Å; L7-V9 PolarHBondContact O-N 3.24Å; L7-D34 HydrophobicContact CD2-CB 4.36Å; L7-H38 HydrophobicContact CD1-CB 4.27Å | ||
| 8 | Q | 58.9 | Low | 57.2 | Low | 190 Ų | 190 | 104.6 Ų | 104.6 | 89% | 0.888 | 62% | 0.619 | S | S | * | * | trans | -73.4 | 92.5 | 169.2 | -73.4 | -170 | -13.4 | 0 | 0 | 109.5 | N6 | N6-Q8 PolarHBondContact O-N 3.03Š| ||
| 9 | V | 75.6 | Confident | 58 | Low | 25 Ų | 25 | 101.8 Ų | 101.8 | 15% | 0.152 | 60% | 0.603 | C | S | . | * | trans | -88.2 | 133.6 | 169.2 | 173.8 | 0 | 0 | 0 | 0 | 108.9 | L7 S11 A24 P26 F35 | L7-V9 PolarHBondContact O-N 3.24Å; V9-S11 PolarHBondContact O-N 3.47Å; V9-A24 HydrophobicContact CG1-CB 4.03Å; V9-P26 HydrophobicContact CG1-CB 4.29Å; V9-P26 HydrophobicContact CG1-CG 3.9Å; V9-P26 HydrophobicContact CG2-CB 4.49Å; V9-F35 HydrophobicContact CB-CD2 3.99Å; V9-F35 HydrophobicContact CB-CE2 4.02Å; V9-F35 HydrophobicContact CB-CG 4.48Å; V9-F35 HydrophobicContact CG2-CB 4.01Å; V9-F35 HydrophobicContact CG2-CD2 3.43Å; V9-F35 VanDerWaalsContact CG2-CD2 3.43Å; V9-F35 HydrophobicContact CG2-CE2 4Å; V9-F35 HydrophobicContact CG2-CG 3.76Å | ||
| 10 | P | 79 | Confident | 58.9 | Low | 80 Ų | 80 | 99.5 Ų | 99.5 | 52% | 0.519 | 59% | 0.59 | S | S | . | * | trans | -53.7 | 125.8 | 170.3 | -25.5 | 34.7 | 0 | 0 | 0 | 110.7 | A24 S25 | P10-A24 WeakPolarHBondContact O-CA 3.25Å; P10-S25 PolarHBondContact O-N 2.83Å | ||
| 11 | S | 80.8 | Confident | 60.1 | Low | 77 Ų | 77 | 95.3 Ų | 95.3 | 54% | 0.538 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -148.1 | 147.5 | -179.3 | 68.1 | 0 | 0 | 0 | 0 | 112.6 | V9 Y23 | V9-S11 PolarHBondContact O-N 3.47Å; S11-Y23 CarbonylContact C-O 3.28Å; S11-Y23 WeakPolarHBondContact CA-O 3.48Å; S11-Y23 WeakPolarHBondContact CB-O 3.47Å |
| 12 | F | 74.4 | Confident | 62.7 | Low | 118 Ų | 118 | 85.4 Ų | 85.4 | 52% | 0.518 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 155.7 | 176.1 | 62.8 | -84.8 | 0 | 0 | 0 | 110.1 | V14 Y23 | F12-V14 HydrophobicContact CD2-CG2 3.73Å; F12-V14 HydrophobicContact CE2-CG2 3.64Å; F12-Y23 HydrophobicContact CD2-CD2 4.35Å; F12-Y23 HydrophobicContact CE1-CG 4.29Å; F12-Y23 AromaticContact CE2-CD2 3.76Å; F12-Y23 HydrophobicContact CE2-CD2 3.76Å; F12-Y23 AromaticContact CE2-CG 3.87Å; F12-Y23 HydrophobicContact CE2-CG 3.87Å; F12-Y23 VanDerWaalsContact CZ-CB 3.44Å; F12-Y23 HydrophobicContact CZ-CD1 4.3Å; F12-Y23 HydrophobicContact CZ-CD2 4.09Å; F12-Y23 AromaticContact CZ-CG 3.69Å; F12-Y23 HydrophobicContact CZ-CG 3.69Å; F12-Y23 PolarHBondContact N-O 3.1Å; F12-Y23 PolarHBondContact O-N 2.89Å |
| 13 | K | 83 | Confident | 65.7 | Low | 125 Ų | 125 | 79.2 Ų | 79.2 | 54% | 0.543 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 135.4 | 178.3 | -61.2 | -152.5 | 178.9 | -150.8 | 0 | 111.4 | T20 F21 T22 E144 | K13-T20 HydrophobicContact CB-CG2 4.24Å; K13-T20 HydrophobicContact CD-CG2 3.86Å; K13-F21 CarbonylContact C-O 3.55Å; K13-F21 VanDerWaalsContact CA-O 3.29Å; K13-F21 WeakPolarHBondContact CA-O 3.49Å; K13-T22 WeakPolarHBondContact CD-OG1 3.31Å; K13-T22 WeakPolarHBondContact CE-OG1 3.5Å; K13-T22 HydrophobicContact CG-CG2 4.18Å; K13-T22 PolarHBondContact NZ-OG1 3.39Å; K13-E144 IonicContact NZ-OE1 2.65Å; K13-E144 PolarHBondContact NZ-OE1 3.44Å |
| 14 | V | 79.2 | Confident | 68.5 | Low | 60 Ų | 60 | 73.1 Ų | 73.1 | 36% | 0.364 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 132.3 | 176 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | F12 F21 Y23 | F12-V14 HydrophobicContact CD2-CG2 3.73Å; F12-V14 HydrophobicContact CE2-CG2 3.64Å; V14-F21 PolarHBondContact N-O 3.08Å; V14-F21 PolarHBondContact O-N 2.92Å; V14-Y23 HydrophobicContact CB-CD2 4.49Å; V14-Y23 HydrophobicContact CB-CE2 4.16Å; V14-Y23 HydrophobicContact CG2-CD2 4.03Å; V14-Y23 HydrophobicContact CG2-CE2 4.01Å |
| 15 | V | 73.9 | Confident | 71 | Confident | 101 Ų | 101 | 68.9 Ų | 68.9 | 61% | 0.612 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 122.1 | 173.1 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | T19 T20 | V15-T19 WeakPolarHBondContact CA-O 3.3Å; V15-T20 HydrophobicContact CG2-CG2 4.49Å |
| 16 | S | 64.4 | Low | 73.5 | Confident | 73 Ų | 73 | 66.2 Ų | 66.2 | 51% | 0.51 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 134.1 | 177.3 | -173.4 | 0 | 0 | 0 | 0 | 110.2 | G18 T19 | S16-G18 PolarHBondContact O-N 2.94Å; S16-G18 VanDerWaalsContact O-N 3.11Å; S16-T19 PolarHBondContact N-O 2.85Å; S16-T19 PolarHBondContact O-N 2.92Å; S16-T19 VanDerWaalsContact O-O 3.13Å |
| 17 | G | 61.6 | Low | 75.1 | Confident | 84 Ų | 84 | 68.4 Ų | 68.4 | 87% | 0.866 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 25.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | T19 | G17-T19 PolarHBondContact O-N 2.76Š|
| 18 | G | 64.8 | Low | 76.2 | Confident | 74 Ų | 74 | 68 Ų | 68 | 76% | 0.763 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | -3.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | S16 | S16-G18 PolarHBondContact O-N 2.94Å; S16-G18 VanDerWaalsContact O-N 3.11Å |
| 19 | T | 72.6 | Confident | 77.1 | Confident | 51 Ų | 51 | 61.2 Ų | 61.2 | 31% | 0.313 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 140.2 | 176 | -55.6 | 0 | 0 | 0 | 0 | 110.3 | V15 S16 G17 F21 M145 | V15-T19 WeakPolarHBondContact CA-O 3.3Å; S16-T19 PolarHBondContact N-O 2.85Å; S16-T19 PolarHBondContact O-N 2.92Å; S16-T19 VanDerWaalsContact O-O 3.13Å; G17-T19 PolarHBondContact O-N 2.76Å; T19-F21 HydrophobicContact CG2-CD2 4.48Å; T19-F21 HydrophobicContact CG2-CE2 3.95Å; T19-F21 HydrophobicContact CG2-CZ 4.09Å; T19-M145 HydrophobicContact CG2-CB 4.39Å; T19-M145 HydrophobicContact CG2-CE 4.29Å; T19-M145 HydrophobicContact CG2-CG 3.44Å; T19-M145 VanDerWaalsContact CG2-CG 3.44Å |
| 20 | T | 76.9 | Confident | 77.2 | Confident | 56 Ų | 56 | 62.5 Ų | 62.5 | 34% | 0.344 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 118.9 | 175.7 | -58.5 | 0 | 0 | 0 | 0 | 110.4 | K13 V15 M145 | K13-T20 HydrophobicContact CB-CG2 4.24Å; K13-T20 HydrophobicContact CD-CG2 3.86Å; V15-T20 HydrophobicContact CG2-CG2 4.49Å; T20-M145 PolarHBondContact O-N 2.94Å |
| 21 | F | 82.5 | Confident | 77.2 | Confident | 11 Ų | 11 | 59.9 Ų | 59.9 | 5% | 0.048 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 120 | 173.7 | -65.2 | -92.2 | 0 | 0 | 0 | 109.6 | K13 V14 T19 Y23 F129 L133 M145 V147 | K13-F21 CarbonylContact C-O 3.55Å; K13-F21 VanDerWaalsContact CA-O 3.29Å; K13-F21 WeakPolarHBondContact CA-O 3.49Å; V14-F21 PolarHBondContact N-O 3.08Å; V14-F21 PolarHBondContact O-N 2.92Å; T19-F21 HydrophobicContact CG2-CD2 4.48Å; T19-F21 HydrophobicContact CG2-CE2 3.95Å; T19-F21 HydrophobicContact CG2-CZ 4.09Å; F21-Y23 HydrophobicContact CB-CD2 4.13Å; F21-Y23 HydrophobicContact CB-CE2 3.56Å; F21-Y23 HydrophobicContact CG-CE2 4.42Å; F21-F129 HydrophobicContact CE1-CZ 4.4Å; F21-L133 HydrophobicContact CE1-CD1 4.4Å; F21-L133 HydrophobicContact CE1-CD2 3.71Å; F21-L133 HydrophobicContact CZ-CD1 3.95Å; F21-L133 HydrophobicContact CZ-CD2 3.7Å; F21-L133 HydrophobicContact CZ-CG 4.5Å; F21-M145 CarbonylContact C-O 3.6Å; F21-M145 WeakPolarHBondContact CA-O 3.38Å; F21-M145 HydrophobicContact CD1-CB 3.37Å; F21-M145 HydrophobicContact CD1-CG 3.94Å; F21-M145 HydrophobicContact CE1-CB 3.58Å; F21-M145 HydrophobicContact CE1-CG 3.6Å; F21-M145 HydrophobicContact CE1-SD 4.33Å; F21-M145 HydrophobicContact CG-CB 4.02Å; F21-M145 HydrophobicContact CZ-CB 4.39Å; F21-M145 HydrophobicContact CZ-CG 4.06Å; F21-V147 HydrophobicContact CD1-CG2 4.21Å |
| 22 | T | 86.8 | Confident | 77.3 | Confident | 14 Ų | 14 | 56.8 Ų | 56.8 | 9% | 0.086 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 115.2 | 165.4 | -50.3 | 0 | 0 | 0 | 0 | 107.6 | K13 M145 L146 V147 | K13-T22 WeakPolarHBondContact CD-OG1 3.31Å; K13-T22 WeakPolarHBondContact CE-OG1 3.5Å; K13-T22 HydrophobicContact CG-CG2 4.18Å; K13-T22 PolarHBondContact NZ-OG1 3.39Å; T22-M145 PolarHBondContact N-O 3.1Å; T22-L146 HydrophobicContact CG2-CD1 4.14Å; T22-L146 CarbonylContact O-C 3.56Å; T22-L146 WeakPolarHBondContact O-CA 3.49Å; T22-V147 PolarHBondContact O-N 3Å |
| 23 | Y | 82.8 | Confident | 78 | Confident | 48 Ų | 48 | 52.3 Ų | 52.3 | 19% | 0.188 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 130.4 | 169.9 | -71.2 | -97.6 | 0 | 0 | 0 | 108.2 | S11 F12 V14 F21 V147 T149 | S11-Y23 CarbonylContact C-O 3.28Å; S11-Y23 WeakPolarHBondContact CA-O 3.48Å; S11-Y23 WeakPolarHBondContact CB-O 3.47Å; F12-Y23 HydrophobicContact CD2-CD2 4.35Å; F12-Y23 HydrophobicContact CE1-CG 4.29Å; F12-Y23 AromaticContact CE2-CD2 3.76Å; F12-Y23 HydrophobicContact CE2-CD2 3.76Å; F12-Y23 AromaticContact CE2-CG 3.87Å; F12-Y23 HydrophobicContact CE2-CG 3.87Å; F12-Y23 VanDerWaalsContact CZ-CB 3.44Å; F12-Y23 HydrophobicContact CZ-CD1 4.3Å; F12-Y23 HydrophobicContact CZ-CD2 4.09Å; F12-Y23 AromaticContact CZ-CG 3.69Å; F12-Y23 HydrophobicContact CZ-CG 3.69Å; F12-Y23 PolarHBondContact N-O 3.1Å; F12-Y23 PolarHBondContact O-N 2.89Å; V14-Y23 HydrophobicContact CB-CD2 4.49Å; V14-Y23 HydrophobicContact CB-CE2 4.16Å; V14-Y23 HydrophobicContact CG2-CD2 4.03Å; V14-Y23 HydrophobicContact CG2-CE2 4.01Å; F21-Y23 HydrophobicContact CB-CD2 4.13Å; F21-Y23 HydrophobicContact CB-CE2 3.56Å; F21-Y23 HydrophobicContact CG-CE2 4.42Å; Y23-V147 HydrophobicContact CD1-CB 3.66Å; Y23-V147 HydrophobicContact CD1-CG1 3.62Å; Y23-V147 HydrophobicContact CD1-CG2 4.24Å; Y23-V147 HydrophobicContact CE1-CB 3.8Å; Y23-V147 HydrophobicContact CE1-CG1 3.63Å; Y23-V147 HydrophobicContact CE1-CG2 3.91Å; Y23-V147 HydrophobicContact CG-CB 4.22Å; Y23-T149 HydrophobicContact CD1-CG2 4.3Å |
| 24 | A | 85.2 | Confident | 78 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 135.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | V9 P10 P26 F35 L146 V147 T149 | V9-A24 HydrophobicContact CG1-CB 4.03Å; P10-A24 WeakPolarHBondContact O-CA 3.25Å; A24-P26 WeakPolarHBondContact O-CD 3.49Å; A24-F35 HydrophobicContact CB-CE1 3.74Å; A24-F35 HydrophobicContact CB-CZ 3.95Å; A24-L146 HydrophobicContact CB-CD1 4.16Å; A24-V147 PolarHBondContact N-O 3.15Å; A24-T149 PolarHBondContact O-N 3.14Å; A24-T149 PolarHBondContact O-OG1 3.18Å |
| 25 | S | 83 | Confident | 78.4 | Confident | 29 Ų | 29 | 48.2 Ų | 48.2 | 20% | 0.203 | 33% | 0.326 | C | S | . | . | trans | -123.4 | 82.1 | -174.6 | -51.6 | 0 | 0 | 0 | 0 | 111.1 | P10 T149 | P10-S25 PolarHBondContact O-N 2.83Å; S25-T149 WeakPolarHBondContact CB-OG1 3.29Å; S25-T149 PolarHBondContact OG-OG1 3.24Å | ||
| 26 | P | 83.5 | Confident | 79.1 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.013 | 30% | 0.297 | C | S | . | . | trans | -70.8 | 142.6 | 176.6 | -14.4 | 30.7 | 0 | 0 | 0 | 111.3 | V9 A24 S28 A31 S32 F35 I148 T149 C151 | V9-P26 HydrophobicContact CG1-CB 4.29Å; V9-P26 HydrophobicContact CG1-CG 3.9Å; V9-P26 HydrophobicContact CG2-CB 4.49Å; A24-P26 WeakPolarHBondContact O-CD 3.49Å; P26-S28 PolarHBondContact O-N 2.99Å; P26-A31 HydrophobicContact CB-CB 4.04Å; P26-S32 WeakPolarHBondContact CB-OG 3.28Å; P26-S32 WeakPolarHBondContact CG-OG 3.31Å; P26-F35 HydrophobicContact CG-CD1 4.42Å; P26-I148 HydrophobicContact CG-CG2 4.03Å; P26-T149 WeakPolarHBondContact CD-O 2.99Å; P26-C151 PolarHBondContact O-N 3Å | ||
| 27 | K | 74.7 | Confident | 80.1 | Confident | 158 Ų | 158 | 40.1 Ų | 40.1 | 69% | 0.687 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -64.2 | -14 | -172.6 | -60.4 | -171.7 | 177.6 | -171.1 | 0 | 115.6 | ||
| 28 | S | 77.4 | Confident | 81.2 | Confident | 51 Ų | 51 | 38.1 Ų | 38.1 | 36% | 0.357 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -160.4 | 162.8 | 178.7 | 72.3 | 0 | 0 | 0 | 0 | 111 | P26 A30 A31 S32 | P26-S28 PolarHBondContact O-N 2.99Å; S28-A30 PolarHBondContact O-N 3.06Å; S28-A31 PolarHBondContact O-N 3.19Å; S28-A31 VanDerWaalsContact O-N 3.08Å; S28-A31 PolarHBondContact OG-N 3.25Å; S28-S32 PolarHBondContact O-N 2.82Å; S28-S32 PolarHBondContact O-OG 2.11Å |
| 29 | G | 76.8 | Confident | 82.2 | Confident | 49 Ų | 49 | 35.5 Ų | 35.5 | 51% | 0.505 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -57.8 | -31.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L33 | G29-L33 WeakPolarHBondContact O-CG 3.27Å; G29-L33 PolarHBondContact O-N 3.45Å |
| 30 | A | 78.2 | Confident | 82.8 | Confident | 52 Ų | 52 | 34 Ų | 34 | 43% | 0.43 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68.4 | -48.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S28 S32 L33 D34 | S28-A30 PolarHBondContact O-N 3.06Å; A30-S32 PolarHBondContact O-N 3.2Å; A30-L33 PolarHBondContact O-N 2.92Å; A30-D34 VanDerWaalsContact O-CG 3.22Å; A30-D34 PolarHBondContact O-N 3.13Å |
| 31 | A | 79.5 | Confident | 83 | Confident | 24 Ų | 24 | 37.8 Ų | 37.8 | 20% | 0.198 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.4 | -31.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P26 S28 F35 | P26-A31 HydrophobicContact CB-CB 4.04Å; S28-A31 PolarHBondContact O-N 3.19Å; S28-A31 VanDerWaalsContact O-N 3.08Å; S28-A31 PolarHBondContact OG-N 3.25Å; A31-F35 WeakPolarHBondContact O-CB 3.4Å; A31-F35 PolarHBondContact O-N 3.48Å |
| 32 | S | 83.2 | Confident | 82.6 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.1 | -42.4 | 172.1 | -64.5 | 0 | 0 | 0 | 0 | 113.1 | P26 S28 A30 L36 | P26-S32 WeakPolarHBondContact CB-OG 3.28Å; P26-S32 WeakPolarHBondContact CG-OG 3.31Å; S28-S32 PolarHBondContact O-N 2.82Å; S28-S32 PolarHBondContact O-OG 2.11Å; A30-S32 PolarHBondContact O-N 3.2Å; S32-L36 WeakPolarHBondContact O-CB 3.32Å; S32-L36 PolarHBondContact O-N 3.34Å |
| 33 | L | 87.9 | Confident | 81.7 | Confident | 24 Ų | 24 | 46.2 Ų | 46.2 | 13% | 0.126 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -74.6 | -34.9 | 179.2 | -67.2 | 163.3 | 0 | 0 | 0 | 111.9 | G29 A30 L36 A37 L63 E66 R70 | G29-L33 WeakPolarHBondContact O-CG 3.27Å; G29-L33 PolarHBondContact O-N 3.45Å; A30-L33 PolarHBondContact O-N 2.92Å; L33-L36 PolarHBondContact O-N 2.84Å; L33-A37 WeakPolarHBondContact O-CB 3.48Å; L33-A37 PolarHBondContact O-N 2.85Å; L33-L63 HydrophobicContact CD2-CD1 3.69Å; L33-E66 HydrophobicContact CD1-CB 4.02Å; L33-E66 HydrophobicContact CD1-CG 4.06Å; L33-E66 VanDerWaalsContact CD1-OE2 3.32Å; L33-E66 WeakPolarHBondContact CD1-OE2 3.22Å; L33-E66 HydrophobicContact CD2-CB 3.93Å; L33-R70 VanDerWaalsContact CB-CZ 3.49Å |
| 34 | D | 84.2 | Confident | 80.3 | Confident | 71 Ų | 71 | 50.6 Ų | 50.6 | 38% | 0.38 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -70.9 | -41.2 | 176.3 | -59.2 | -21.4 | 0 | 0 | 0 | 111.5 | L7 A30 H38 R70 | L7-D34 HydrophobicContact CD2-CB 4.36Å; A30-D34 VanDerWaalsContact O-CG 3.22Å; A30-D34 PolarHBondContact O-N 3.13Å; D34-H38 WeakPolarHBondContact O-CB 3.41Å; D34-H38 PolarHBondContact O-N 3.07Å; D34-R70 IonicContact OD1-CZ 2.94Å; D34-R70 IonicContact OD1-NE 2.71Å; D34-R70 PolarHBondContact OD1-NE 2.85Å; D34-R70 IonicContact OD1-NH2 3.29Å; D34-R70 PolarHBondContact OD1-NH2 3.14Å |
| 35 | F | 85.9 | Confident | 78.9 | Confident | 27 Ų | 27 | 53.6 Ų | 53.6 | 12% | 0.118 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 170.2 | 172.6 | -109 | 0 | 0 | 0 | 111.3 | V9 A24 P26 A31 A37 H38 T39 L146 I148 | V9-F35 HydrophobicContact CB-CD2 3.99Å; V9-F35 HydrophobicContact CB-CE2 4.02Å; V9-F35 HydrophobicContact CB-CG 4.48Å; V9-F35 HydrophobicContact CG2-CB 4.01Å; V9-F35 HydrophobicContact CG2-CD2 3.43Å; V9-F35 VanDerWaalsContact CG2-CD2 3.43Å; V9-F35 HydrophobicContact CG2-CE2 4Å; V9-F35 HydrophobicContact CG2-CG 3.76Å; A24-F35 HydrophobicContact CB-CE1 3.74Å; A24-F35 HydrophobicContact CB-CZ 3.95Å; P26-F35 HydrophobicContact CG-CD1 4.42Å; A31-F35 WeakPolarHBondContact O-CB 3.4Å; A31-F35 PolarHBondContact O-N 3.48Å; F35-A37 PolarHBondContact O-N 3.5Å; F35-H38 WeakPolarHBondContact O-CB 2.85Å; F35-H38 PolarHBondContact O-N 3.47Å; F35-H38 VanDerWaalsContact O-N 3.16Å; F35-T39 PolarHBondContact O-N 2.8Å; F35-T39 PolarHBondContact O-OG1 2.78Å; F35-L146 HydrophobicContact CE1-CD2 4.31Å; F35-I148 HydrophobicContact CD1-CD1 4.16Å; F35-I148 HydrophobicContact CE1-CD1 4.4Å; F35-I148 HydrophobicContact CE1-CG1 4.46Å |
| 36 | L | 88.4 | Confident | 77.4 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 178.7 | -176.1 | 60.5 | 0 | 0 | 0 | 112.1 | S32 L33 H38 T39 L40 L52 L63 L67 I119 T121 I148 | S32-L36 WeakPolarHBondContact O-CB 3.32Å; S32-L36 PolarHBondContact O-N 3.34Å; L33-L36 PolarHBondContact O-N 2.84Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 3.49Å; L36-T39 PolarHBondContact O-N 2.88Å; L36-L40 HydrophobicContact CD1-CD1 4.23Å; L36-L40 HydrophobicContact CD1-CG 4.48Å; L36-L40 HydrophobicContact CG-CD1 4.08Å; L36-L40 WeakPolarHBondContact O-CB 3.49Å; L36-L40 VanDerWaalsContact O-CG 3.29Å; L36-L40 WeakPolarHBondContact O-CG 3.45Å; L36-L40 PolarHBondContact O-N 3.19Å; L36-L52 HydrophobicContact CD1-CD2 3.78Å; L36-L52 HydrophobicContact CD2-CD2 4.02Å; L36-L52 HydrophobicContact CG-CD2 4.28Å; L36-L63 HydrophobicContact CD2-CD1 3.74Å; L36-L67 HydrophobicContact CD2-CD1 4.21Å; L36-L67 HydrophobicContact CD2-CD2 4.18Å; L36-L67 HydrophobicContact CG-CD2 4.14Å; L36-I119 HydrophobicContact CD1-CD1 3.54Å; L36-I119 HydrophobicContact CD1-CG2 3.88Å; L36-T121 HydrophobicContact CD2-CG2 3.87Å; L36-I148 HydrophobicContact CB-CD1 4.21Å; L36-I148 HydrophobicContact CD1-CD1 3.99Å |
| 37 | A | 87.1 | Confident | 76.1 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.008 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L33 F35 L40 R41 L67 R70 V72 | L33-A37 WeakPolarHBondContact O-CB 3.48Å; L33-A37 PolarHBondContact O-N 2.85Å; F35-A37 PolarHBondContact O-N 3.5Å; A37-L40 PolarHBondContact O-N 2.87Å; A37-R41 WeakPolarHBondContact O-CB 3.24Å; A37-R41 WeakPolarHBondContact O-CG 3.38Å; A37-R41 PolarHBondContact O-N 3.34Å; A37-L67 HydrophobicContact CB-CD2 4.18Å; A37-R70 HydrophobicContact CB-CB 3.81Å; A37-R70 HydrophobicContact CB-CG 4.48Å; A37-V72 HydrophobicContact CB-CG2 3.88Å |
| 38 | H | 84.7 | Confident | 75.9 | Confident | 42 Ų | 42 | 58.2 Ų | 58.2 | 19% | 0.194 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 173.7 | -177.2 | 85.6 | 0 | 0 | 0 | 112.2 | L7 D34 F35 L36 L40 R41 K42 | L7-H38 HydrophobicContact CD1-CB 4.27Å; D34-H38 WeakPolarHBondContact O-CB 3.41Å; D34-H38 PolarHBondContact O-N 3.07Å; F35-H38 WeakPolarHBondContact O-CB 2.85Å; F35-H38 PolarHBondContact O-N 3.47Å; F35-H38 VanDerWaalsContact O-N 3.16Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 3.49Å; H38-L40 VanDerWaalsContact C-N 3.33Å; H38-L40 PolarHBondContact O-N 2.98Å; H38-R41 PolarHBondContact O-N 3.3Å; H38-K42 WeakPolarHBondContact O-CB 3.13Å; H38-K42 PolarHBondContact O-N 2.78Å |
| 39 | T | 84.5 | Confident | 76.2 | Confident | 19 Ų | 19 | 58 Ų | 58 | 12% | 0.117 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.2 | -43.3 | 175.4 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | F35 L36 R43 L117 L146 | F35-T39 PolarHBondContact O-N 2.8Å; F35-T39 PolarHBondContact O-OG1 2.78Å; L36-T39 PolarHBondContact O-N 2.88Å; T39-R43 PolarHBondContact O-N 2.97Å; T39-L117 HydrophobicContact CG2-CD2 4.23Å; T39-L146 HydrophobicContact CG2-CD2 4.25Å |
| 40 | L | 85.6 | Confident | 76.8 | Confident | 20 Ų | 20 | 56.1 Ų | 56.1 | 11% | 0.105 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -74.6 | -29.8 | -179.2 | -67.2 | 170.5 | 0 | 0 | 0 | 113.5 | L36 A37 H38 T50 L52 L67 V72 A99 I119 | L36-L40 HydrophobicContact CD1-CD1 4.23Å; L36-L40 HydrophobicContact CD1-CG 4.48Å; L36-L40 HydrophobicContact CG-CD1 4.08Å; L36-L40 WeakPolarHBondContact O-CB 3.49Å; L36-L40 VanDerWaalsContact O-CG 3.29Å; L36-L40 WeakPolarHBondContact O-CG 3.45Å; L36-L40 PolarHBondContact O-N 3.19Å; A37-L40 PolarHBondContact O-N 2.87Å; H38-L40 VanDerWaalsContact C-N 3.33Å; H38-L40 PolarHBondContact O-N 2.98Å; L40-T50 HydrophobicContact CD2-CG2 3.69Å; L40-L52 HydrophobicContact CD1-CD1 4.04Å; L40-L52 HydrophobicContact CD1-CD2 4.25Å; L40-L67 HydrophobicContact CD1-CD1 3.96Å; L40-L67 HydrophobicContact CD1-CD2 4.15Å; L40-V72 HydrophobicContact CB-CG1 3.77Å; L40-V72 HydrophobicContact CD1-CG1 3.82Å; L40-V72 HydrophobicContact CG-CG1 4.42Å; L40-A99 HydrophobicContact CD2-CB 3.9Å; L40-I119 HydrophobicContact CD2-CD1 4.23Å |
| 41 | R | 81.1 | Confident | 77.4 | Confident | 135 Ų | 135 | 53.6 Ų | 53.6 | 51% | 0.509 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -81.4 | -23.4 | 173.3 | -67.5 | -167.5 | -131 | 122 | -4.7 | 113.7 | A37 H38 R70 V72 | A37-R41 WeakPolarHBondContact O-CB 3.24Å; A37-R41 WeakPolarHBondContact O-CG 3.38Å; A37-R41 PolarHBondContact O-N 3.34Å; H38-R41 PolarHBondContact O-N 3.3Å; R41-R70 VanDerWaalsContact CZ-O 3.3Å; R41-R70 PolarHBondContact NE-O 3.3Å; R41-R70 PolarHBondContact NH2-O 3.44Å; R41-V72 HydrophobicContact CG-CG2 3.85Å |
| 42 | K | 74.6 | Confident | 78 | Confident | 138 Ų | 138 | 52.5 Ų | 52.5 | 60% | 0.6 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -84.8 | -23 | -177.7 | -175.3 | 167.9 | -177 | 170.9 | 0 | 113.5 | N6 H38 | N6-K42 PolarHBondContact OD1-NZ 3.18Å; N6-K42 VanDerWaalsContact OD1-NZ 3.15Å; H38-K42 WeakPolarHBondContact O-CB 3.13Å; H38-K42 PolarHBondContact O-N 2.78Å |
| 43 | R | 67.5 | Low | 78.4 | Confident | 65 Ų | 65 | 51.9 Ų | 51.9 | 25% | 0.245 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -86.8 | 137.8 | 170.2 | -71.4 | 167.8 | 178.1 | -105.3 | 9.8 | 108.8 | T39 A45 E48 E144 | T39-R43 PolarHBondContact O-N 2.97Å; R43-A45 PolarHBondContact O-N 2.8Å; R43-A45 VanDerWaalsContact O-N 3.16Å; R43-E48 WeakPolarHBondContact CD-OE2 3.47Å; R43-E48 WeakPolarHBondContact CG-OE2 3.43Å; R43-E48 IonicContact CZ-OE2 2.7Å; R43-E48 IonicContact NE-OE2 3.83Å; R43-E48 IonicContact NH1-OE1 3.69Å; R43-E48 IonicContact NH1-OE2 2.74Å; R43-E48 PolarHBondContact NH1-OE2 3.43Å; R43-E144 IonicContact CZ-OE2 2.59Å; R43-E144 IonicContact NH2-OE2 2.73Å; R43-E144 PolarHBondContact NH2-OE2 3.28Å |
| 44 | E | 54.1 | Low | 78.5 | Confident | 140 Ų | 140 | 50.8 Ų | 50.8 | 65% | 0.654 | 25% | 0.252 | S | S | * | . | trans | -68.1 | 112.7 | -179 | -77.6 | -178.6 | 174.3 | 0 | 0 | 110.4 | N46 T47 E48 | E44-N46 PolarHBondContact O-N 2.93Å; E44-T47 VanDerWaalsContact CB-OG1 3.23Å; E44-T47 WeakPolarHBondContact CB-OG1 3.28Å; E44-T47 PolarHBondContact O-N 2.82Å; E44-T47 PolarHBondContact O-OG1 2.86Å; E44-T47 PolarHBondContact OE2-OG1 3.3Å; E44-E48 PolarHBondContact O-N 3.15Å | ||
| 45 | A | 54.1 | Low | 78.7 | Confident | 63 Ų | 63 | 50.2 Ų | 50.2 | 52% | 0.521 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -27.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R43 N97 | R43-A45 PolarHBondContact O-N 2.8Å; R43-A45 VanDerWaalsContact O-N 3.16Å; A45-N97 WeakPolarHBondContact O-CB 3.39Å; A45-N97 VanDerWaalsContact O-O 3.13Å |
| 46 | N | 52.4 | Low | 78.8 | Confident | 129 Ų | 129 | 53.4 Ų | 53.4 | 69% | 0.69 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -4.3 | -178.7 | -70.8 | -24.3 | 0 | 0 | 0 | 115.1 | E44 N97 | E44-N46 PolarHBondContact O-N 2.93Å; N46-N97 PolarHBondContact OD1-ND2 3.05Å |
| 47 | T | 57.1 | Low | 78.6 | Confident | 89 Ų | 89 | 55.2 Ų | 55.2 | 55% | 0.546 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.9 | -24.2 | -174.9 | 52.2 | 0 | 0 | 0 | 0 | 114.7 | E44 | E44-T47 VanDerWaalsContact CB-OG1 3.23Å; E44-T47 WeakPolarHBondContact CB-OG1 3.28Å; E44-T47 PolarHBondContact O-N 2.82Å; E44-T47 PolarHBondContact O-OG1 2.86Å; E44-T47 PolarHBondContact OE2-OG1 3.3Å |
| 48 | E | 70.4 | Confident | 78.4 | Confident | 68 Ų | 68 | 61 Ų | 61 | 32% | 0.318 | 30% | 0.297 | S | S | . | . | trans | -115.6 | 113.4 | -179 | -67.8 | -167.5 | 176.1 | 0 | 0 | 114.8 | R43 E44 T50 N116 | R43-E48 WeakPolarHBondContact CD-OE2 3.47Å; R43-E48 WeakPolarHBondContact CG-OE2 3.43Å; R43-E48 IonicContact CZ-OE2 2.7Å; R43-E48 IonicContact NE-OE2 3.83Å; R43-E48 IonicContact NH1-OE1 3.69Å; R43-E48 IonicContact NH1-OE2 2.74Å; R43-E48 PolarHBondContact NH1-OE2 3.43Å; E44-E48 PolarHBondContact O-N 3.15Å; E48-T50 PolarHBondContact O-N 3.46Å; E48-N116 HydrophobicContact CB-CB 4.19Å; E48-N116 HydrophobicContact CG-CB 4.34Å | ||
| 49 | K | 83.3 | Confident | 78.6 | Confident | 47 Ų | 47 | 60.4 Ų | 60.4 | 20% | 0.204 | 29% | 0.294 | C | S | . | . | trans | -75.5 | 108.2 | 174.5 | -72.4 | 172.5 | -171.3 | 162.8 | 0 | 110.7 | W91 S92 E114 A115 N116 L117 | K49-W91 HydrophobicContact CB-CH2 3.75Å; K49-W91 HydrophobicContact CB-CZ2 3.81Å; K49-W91 HydrophobicContact CB-CZ3 4.48Å; K49-W91 HydrophobicContact CG-CH2 4.39Å; K49-W91 HydrophobicContact CG-CZ2 4.31Å; K49-S92 PolarHBondContact NZ-O 3.34Å; K49-E114 WeakPolarHBondContact CD-O 3.31Å; K49-A115 CarbonylContact O-C 3.57Å; K49-A115 WeakPolarHBondContact O-CA 3.39Å; K49-N116 PolarHBondContact N-OD1 3.33Å; K49-N116 PolarHBondContact O-N 2.86Å; K49-L117 PolarHBondContact O-N 3.45Å | ||
| 50 | T | 88.3 | Confident | 78.7 | Confident | 8 Ų | 8 | 59.5 Ų | 59.5 | 5% | 0.049 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133.3 | -179.9 | -59.9 | 0 | 0 | 0 | 0 | 112.6 | L40 E48 A99 L100 L117 I119 | L40-T50 HydrophobicContact CD2-CG2 3.69Å; E48-T50 PolarHBondContact O-N 3.46Å; T50-A99 HydrophobicContact CG2-CB 4.42Å; T50-A99 WeakPolarHBondContact O-CA 3.49Å; T50-L100 PolarHBondContact O-N 2.76Å; T50-L117 WeakPolarHBondContact CA-O 3.19Å; T50-L117 HydrophobicContact CG2-CB 4.16Å; T50-L117 HydrophobicContact CG2-CD2 3.86Å; T50-L117 HydrophobicContact CG2-CG 4.13Å; T50-I119 HydrophobicContact CG2-CD1 3.91Å; T50-I119 HydrophobicContact CG2-CG1 4.12Å |
| 51 | I | 90.8 | Very high | 78.8 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 139.4 | 172.9 | -58.3 | 178.7 | 0 | 0 | 0 | 110 | I53 W91 L100 L102 L110 V113 A115 L117 V118 I119 | I51-I53 HydrophobicContact CG2-CD1 4.27Å; I51-I53 HydrophobicContact CG2-CG1 3.79Å; I51-W91 HydrophobicContact CD1-CH2 4.02Å; I51-W91 HydrophobicContact CD1-CZ3 4.37Å; I51-W91 HydrophobicContact CG1-CH2 3.57Å; I51-W91 HydrophobicContact CG1-CZ2 4.17Å; I51-W91 HydrophobicContact CG1-CZ3 4.35Å; I51-L100 CarbonylContact C-O 3.56Å; I51-L100 WeakPolarHBondContact CA-O 3.26Å; I51-L102 HydrophobicContact CG2-CD2 3.73Å; I51-L102 HydrophobicContact CG2-CG 4.17Å; I51-L110 HydrophobicContact CD1-CD2 4.03Å; I51-V113 HydrophobicContact CD1-CG2 4.21Å; I51-A115 HydrophobicContact CD1-CB 3.68Å; I51-A115 HydrophobicContact CG1-CB 3.98Å; I51-L117 PolarHBondContact N-O 3.34Å; I51-V118 HydrophobicContact CB-CG2 4.32Å; I51-I119 PolarHBondContact O-N 3.04Å |
| 52 | L | 92.5 | Very high | 79.1 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 115.8 | 179.5 | -71.6 | 150.9 | 0 | 0 | 0 | 108.6 | L36 L40 L63 L67 T74 A99 L100 I101 L102 I119 T121 | L36-L52 HydrophobicContact CD1-CD2 3.78Å; L36-L52 HydrophobicContact CD2-CD2 4.02Å; L36-L52 HydrophobicContact CG-CD2 4.28Å; L40-L52 HydrophobicContact CD1-CD1 4.04Å; L40-L52 HydrophobicContact CD1-CD2 4.25Å; L52-L63 HydrophobicContact CB-CD2 4.33Å; L52-L63 HydrophobicContact CD2-CD2 4.45Å; L52-L67 HydrophobicContact CD1-CD1 4.19Å; L52-T74 HydrophobicContact CD1-CG2 4.22Å; L52-A99 HydrophobicContact CD1-CB 3.71Å; L52-L100 PolarHBondContact N-O 2.8Å; L52-I101 HydrophobicContact CB-CB 4.3Å; L52-I101 HydrophobicContact CB-CG1 3.82Å; L52-I101 HydrophobicContact CB-CG2 4.48Å; L52-I101 HydrophobicContact CD1-CD1 4.34Å; L52-I101 HydrophobicContact CD1-CG1 3.58Å; L52-I101 HydrophobicContact CG-CG1 4.32Å; L52-I101 WeakPolarHBondContact O-CA 3.49Å; L52-L102 PolarHBondContact O-N 2.95Å; L52-I119 HydrophobicContact CD2-CB 4.08Å; L52-I119 HydrophobicContact CD2-CD1 4Å; L52-I119 HydrophobicContact CD2-CG1 4.46Å; L52-I119 HydrophobicContact CD2-CG2 4.48Å; L52-T121 HydrophobicContact CD2-CG2 4.05Å |
| 53 | I | 91.8 | Very high | 79.8 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 115.7 | -171.9 | -51.8 | -179.4 | 0 | 0 | 0 | 110.8 | I51 L102 L107 V118 I119 T121 L136 | I51-I53 HydrophobicContact CG2-CD1 4.27Å; I51-I53 HydrophobicContact CG2-CG1 3.79Å; I53-L102 WeakPolarHBondContact CA-O 3.27Å; I53-L102 HydrophobicContact CG1-CD1 4.13Å; I53-L102 HydrophobicContact CG2-CD1 4.32Å; I53-L107 HydrophobicContact CD1-CD2 4.19Å; I53-V118 HydrophobicContact CD1-CG1 3.44Å; I53-V118 VanDerWaalsContact CD1-CG1 3.44Å; I53-V118 HydrophobicContact CG1-CG1 4.13Å; I53-I119 PolarHBondContact N-O 3.11Å; I53-T121 PolarHBondContact O-N 2.87Å; I53-T121 PolarHBondContact O-OG1 3.27Å; I53-T121 VanDerWaalsContact O-OG1 3.12Å; I53-L136 HydrophobicContact CD1-CD1 3.68Å; I53-L136 HydrophobicContact CD1-CD2 3.76Å; I53-L136 HydrophobicContact CD1-CG 4.27Å |
| 54 | C | 91.1 | Very high | 81 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.014 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 166.4 | 168.9 | -52.3 | 0 | 0 | 0 | 0 | 110.7 | E59 A60 L102 C103 D104 T121 T122 | C54-E59 HydrophobicContact CB-CB 3.75Å; C54-A60 HydrophobicContact CB-CB 4.19Å; C54-L102 PolarHBondContact N-O 3.15Å; C54-C103 CarbonylContact O-C 3.57Å; C54-C103 VanDerWaalsContact O-CA 3.26Å; C54-C103 WeakPolarHBondContact O-CA 3.45Å; C54-D104 PolarHBondContact O-N 2.87Å; C54-D104 VanDerWaalsContact O-N 3.13Å; C54-T121 PolarHBondContact SG-OG1 3.17Å; C54-T122 WeakPolarHBondContact CA-OG1 3.49Å |
| 55 | Q | 88.6 | Confident | 82.5 | Confident | 58 Ų | 58 | 59.1 Ų | 59.1 | 27% | 0.271 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -77.2 | -46.4 | 172.9 | -169.6 | -177.5 | 40.7 | 0 | 0 | 110.7 | E59 D104 T122 P124 | Q55-E59 PolarHBondContact N-OE2 3.49Å; Q55-D104 WeakPolarHBondContact CA-OD2 3.4Å; Q55-D104 PolarHBondContact O-N 3.41Å; Q55-T122 PolarHBondContact N-OG1 3.02Å; Q55-P124 HydrophobicContact CG-CB 4.28Å; Q55-P124 VanDerWaalsContact NE2-CB 3.34Å |
| 56 | Q | 86.2 | Confident | 84.3 | Confident | 94 Ų | 94 | 57.5 Ų | 57.5 | 44% | 0.439 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -121.8 | 154.8 | -172.8 | -56.8 | -174.7 | 62.6 | 0 | 0 | 113.3 | F58 E59 A60 | Q56-F58 VanDerWaalsContact C-N 3.29Å; Q56-F58 HydrophobicContact CB-CD1 3.83Å; Q56-F58 HydrophobicContact CB-CE1 3.76Å; Q56-F58 HydrophobicContact CG-CE1 4.26Å; Q56-F58 PolarHBondContact O-N 2.95Å; Q56-E59 HydrophobicContact CB-CG 4.35Å; Q56-E59 VanDerWaalsContact CB-OE1 3.3Å; Q56-E59 WeakPolarHBondContact CB-OE1 3.44Å; Q56-E59 WeakPolarHBondContact CG-OE1 3.43Å; Q56-E59 PolarHBondContact N-OE1 2.99Å; Q56-E59 PolarHBondContact N-OE2 2.87Å; Q56-E59 WeakPolarHBondContact O-CB 3.42Å; Q56-E59 PolarHBondContact O-N 3.43Å; Q56-E59 VanDerWaalsContact O-N 3.15Å; Q56-A60 PolarHBondContact O-N 3.47Å |
| 57 | N | 85.6 | Confident | 85.9 | Confident | 41 Ų | 41 | 51.4 Ų | 51.4 | 22% | 0.219 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.4 | -32.6 | -178.3 | 179.8 | 79.9 | 0 | 0 | 0 | 113.3 | E59 A60 E61 P79 | N57-E59 VanDerWaalsContact C-N 3.32Å; N57-E59 PolarHBondContact O-N 2.89Å; N57-A60 WeakPolarHBondContact O-CB 3.24Å; N57-A60 PolarHBondContact O-N 3.3Å; N57-E61 PolarHBondContact ND2-OE1 3.29Å; N57-E61 WeakPolarHBondContact O-CG 3.45Å; N57-E61 PolarHBondContact O-N 3.25Å; N57-P79 HydrophobicContact CB-CG 4.25Å; N57-P79 WeakPolarHBondContact OD1-CD 3.47Å |
| 58 | F | 82.9 | Confident | 87.2 | Confident | 124 Ų | 124 | 49.7 Ų | 49.7 | 54% | 0.544 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -69.5 | -30.8 | 177.5 | 79.7 | -99.5 | 0 | 0 | 0 | 112.3 | Q56 R62 | Q56-F58 VanDerWaalsContact C-N 3.29Å; Q56-F58 HydrophobicContact CB-CD1 3.83Å; Q56-F58 HydrophobicContact CB-CE1 3.76Å; Q56-F58 HydrophobicContact CG-CE1 4.26Å; Q56-F58 PolarHBondContact O-N 2.95Å; F58-R62 WeakPolarHBondContact O-CB 3.24Å; F58-R62 PolarHBondContact O-N 2.9Å |
| 59 | E | 87.6 | Confident | 87.8 | Confident | 29 Ų | 29 | 52.5 Ų | 52.5 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.8 | -43 | 172.4 | -62.6 | 159.6 | -142.4 | 0 | 0 | 109.7 | C54 Q55 Q56 N57 R62 L63 T122 | C54-E59 HydrophobicContact CB-CB 3.75Å; Q55-E59 PolarHBondContact N-OE2 3.49Å; Q56-E59 HydrophobicContact CB-CG 4.35Å; Q56-E59 VanDerWaalsContact CB-OE1 3.3Å; Q56-E59 WeakPolarHBondContact CB-OE1 3.44Å; Q56-E59 WeakPolarHBondContact CG-OE1 3.43Å; Q56-E59 PolarHBondContact N-OE1 2.99Å; Q56-E59 PolarHBondContact N-OE2 2.87Å; Q56-E59 WeakPolarHBondContact O-CB 3.42Å; Q56-E59 PolarHBondContact O-N 3.43Å; Q56-E59 VanDerWaalsContact O-N 3.15Å; N57-E59 VanDerWaalsContact C-N 3.32Å; N57-E59 PolarHBondContact O-N 2.89Å; E59-R62 PolarHBondContact O-N 3.17Å; E59-L63 WeakPolarHBondContact O-CB 3.38Å; E59-L63 PolarHBondContact O-N 3.07Å; E59-T122 WeakPolarHBondContact OE2-CB 3.34Å; E59-T122 WeakPolarHBondContact OE2-CG2 3.46Å; E59-T122 PolarHBondContact OE2-OG1 3.43Å |
| 60 | A | 87.7 | Confident | 88 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.2 | -39.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | C54 Q56 N57 K64 L76 I101 | C54-A60 HydrophobicContact CB-CB 4.19Å; Q56-A60 PolarHBondContact O-N 3.47Å; N57-A60 WeakPolarHBondContact O-CB 3.24Å; N57-A60 PolarHBondContact O-N 3.3Å; A60-K64 PolarHBondContact O-N 2.96Å; A60-K64 VanDerWaalsContact O-N 3.09Å; A60-L76 HydrophobicContact CB-CD1 3.53Å; A60-I101 HydrophobicContact CB-CG2 3.75Å |
| 61 | E | 87.3 | Confident | 87.6 | Confident | 103 Ų | 103 | 58.1 Ų | 58.1 | 48% | 0.481 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.3 | -44.5 | 171.7 | -75.4 | 174.5 | -178 | 0 | 0 | 112.1 | N57 F65 L76 | N57-E61 PolarHBondContact ND2-OE1 3.29Å; N57-E61 WeakPolarHBondContact O-CG 3.45Å; N57-E61 PolarHBondContact O-N 3.25Å; E61-F65 PolarHBondContact O-N 2.86Å; E61-L76 HydrophobicContact CB-CD2 4.37Å; E61-L76 HydrophobicContact CG-CD2 3.51Å |
| 62 | R | 88.3 | Confident | 87.2 | Confident | 162 Ų | 162 | 58.6 Ų | 58.6 | 61% | 0.611 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62.8 | -47 | 174.8 | 179.8 | -179.9 | 176 | -173.1 | -1.6 | 111.3 | F58 E59 K64 F65 E66 | F58-R62 WeakPolarHBondContact O-CB 3.24Å; F58-R62 PolarHBondContact O-N 2.9Å; E59-R62 PolarHBondContact O-N 3.17Å; R62-K64 VanDerWaalsContact C-N 3.29Å; R62-K64 PolarHBondContact O-N 3.47Å; R62-F65 WeakPolarHBondContact O-CB 3.16Å; R62-F65 PolarHBondContact O-N 3.36Å; R62-E66 HydrophobicContact CG-CG 3.88Å; R62-E66 IonicContact CZ-OE1 2.67Å; R62-E66 VanDerWaalsContact CZ-OE1 3.23Å; R62-E66 IonicContact NE-OE1 2.87Å; R62-E66 PolarHBondContact NE-OE1 3.32Å; R62-E66 IonicContact NH2-OE1 3.81Å; R62-E66 PolarHBondContact NH2-OE1 3.45Å; R62-E66 VanDerWaalsContact O-CG 3.25Å; R62-E66 WeakPolarHBondContact O-CG 3.48Å; R62-E66 PolarHBondContact O-N 3.32Å |
| 63 | L | 89.2 | Confident | 86.7 | Confident | 13 Ų | 13 | 64.3 Ų | 64.3 | 7% | 0.068 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60 | -40.6 | -178.5 | -177.9 | 65.5 | 0 | 0 | 0 | 111.4 | L33 L36 L52 E59 F65 E66 L67 I101 T121 | L33-L63 HydrophobicContact CD2-CD1 3.69Å; L36-L63 HydrophobicContact CD2-CD1 3.74Å; L52-L63 HydrophobicContact CB-CD2 4.33Å; L52-L63 HydrophobicContact CD2-CD2 4.45Å; E59-L63 WeakPolarHBondContact O-CB 3.38Å; E59-L63 PolarHBondContact O-N 3.07Å; L63-F65 VanDerWaalsContact C-N 3.31Å; L63-F65 PolarHBondContact O-N 3.44Å; L63-E66 PolarHBondContact O-N 3.41Å; L63-L67 HydrophobicContact CD1-CD1 4.03Å; L63-L67 HydrophobicContact CD1-CG 4.2Å; L63-L67 HydrophobicContact CG-CD1 3.94Å; L63-L67 HydrophobicContact CG-CG 4.46Å; L63-L67 VanDerWaalsContact O-CB 3.31Å; L63-L67 WeakPolarHBondContact O-CB 3.44Å; L63-L67 WeakPolarHBondContact O-CG 3.06Å; L63-L67 PolarHBondContact O-N 2.91Å; L63-I101 HydrophobicContact CD2-CD1 4.42Å; L63-I101 HydrophobicContact CD2-CG1 4.49Å; L63-I101 HydrophobicContact CD2-CG2 4.13Å; L63-I101 HydrophobicContact CG-CD1 4.3Å; L63-T121 HydrophobicContact CD2-CG2 3.82Å |
| 64 | K | 91.6 | Very high | 86.6 | Confident | 83 Ų | 83 | 64.5 Ų | 64.5 | 36% | 0.361 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 173.6 | 176.7 | 162.6 | 177.5 | 160.3 | 0 | 112.1 | A60 R62 A68 T74 L76 I101 | A60-K64 PolarHBondContact O-N 2.96Å; A60-K64 VanDerWaalsContact O-N 3.09Å; R62-K64 VanDerWaalsContact C-N 3.29Å; R62-K64 PolarHBondContact O-N 3.47Å; K64-A68 WeakPolarHBondContact O-CB 3.37Å; K64-A68 PolarHBondContact O-N 2.61Å; K64-T74 VanDerWaalsContact CE-O 3.23Å; K64-T74 WeakPolarHBondContact CE-O 3.45Å; K64-T74 PolarHBondContact NZ-O 3.25Å; K64-L76 HydrophobicContact CD-CB 3.79Å; K64-I101 HydrophobicContact CB-CD1 3.77Å |
| 65 | F | 87 | Confident | 86.5 | Confident | 128 Ų | 128 | 66 Ų | 66 | 56% | 0.561 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -67.3 | -50 | 178.7 | -174.7 | -91.3 | 0 | 0 | 0 | 111.5 | E61 R62 L63 L67 A68 E69 | E61-F65 PolarHBondContact O-N 2.86Å; R62-F65 WeakPolarHBondContact O-CB 3.16Å; R62-F65 PolarHBondContact O-N 3.36Å; L63-F65 VanDerWaalsContact C-N 3.31Å; L63-F65 PolarHBondContact O-N 3.44Å; F65-L67 VanDerWaalsContact C-N 3.26Å; F65-L67 PolarHBondContact O-N 2.95Å; F65-A68 WeakPolarHBondContact O-CB 3.4Å; F65-A68 PolarHBondContact O-N 3.33Å; F65-E69 HydrophobicContact CD1-CG 4.32Å; F65-E69 HydrophobicContact CE1-CG 3.92Å; F65-E69 VanDerWaalsContact CE1-OE1 3.23Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.42Å; F65-E69 WeakPolarHBondContact CE1-OE2 3.44Å; F65-E69 HydrophobicContact CZ-CG 4.25Å; F65-E69 WeakPolarHBondContact CZ-OE1 3.35Å; F65-E69 PolarHBondContact O-N 3.48Å |
| 66 | E | 89.8 | Confident | 86.5 | Confident | 30 Ų | 30 | 64.8 Ų | 64.8 | 14% | 0.14 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.4 | -30.4 | 179.4 | -65.1 | -96.1 | -162.2 | 0 | 0 | 113.1 | L33 R62 L63 R70 | L33-E66 HydrophobicContact CD1-CB 4.02Å; L33-E66 HydrophobicContact CD1-CG 4.06Å; L33-E66 VanDerWaalsContact CD1-OE2 3.32Å; L33-E66 WeakPolarHBondContact CD1-OE2 3.22Å; L33-E66 HydrophobicContact CD2-CB 3.93Å; R62-E66 HydrophobicContact CG-CG 3.88Å; R62-E66 IonicContact CZ-OE1 2.67Å; R62-E66 VanDerWaalsContact CZ-OE1 3.23Å; R62-E66 IonicContact NE-OE1 2.87Å; R62-E66 PolarHBondContact NE-OE1 3.32Å; R62-E66 IonicContact NH2-OE1 3.81Å; R62-E66 PolarHBondContact NH2-OE1 3.45Å; R62-E66 VanDerWaalsContact O-CG 3.25Å; R62-E66 WeakPolarHBondContact O-CG 3.48Å; R62-E66 PolarHBondContact O-N 3.32Å; L63-E66 PolarHBondContact O-N 3.41Å; E66-R70 VanDerWaalsContact O-CD 3.27Å; E66-R70 WeakPolarHBondContact O-CD 3.43Å; E66-R70 VanDerWaalsContact O-CG 3.31Å; E66-R70 WeakPolarHBondContact O-CG 3.26Å; E66-R70 PolarHBondContact O-NH1 3.23Å; E66-R70 IonicContact OE2-CZ 2.7Å; E66-R70 IonicContact OE2-NH1 3.52Å; E66-R70 PolarHBondContact OE2-NH1 2.94Å |
| 67 | L | 86.6 | Confident | 86.3 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -80.5 | -32.5 | 173.4 | -75 | 175.6 | 0 | 0 | 0 | 112.7 | L36 A37 L40 L52 L63 F65 R70 D71 V72 T74 I101 | L36-L67 HydrophobicContact CD2-CD1 4.21Å; L36-L67 HydrophobicContact CD2-CD2 4.18Å; L36-L67 HydrophobicContact CG-CD2 4.14Å; A37-L67 HydrophobicContact CB-CD2 4.18Å; L40-L67 HydrophobicContact CD1-CD1 3.96Å; L40-L67 HydrophobicContact CD1-CD2 4.15Å; L52-L67 HydrophobicContact CD1-CD1 4.19Å; L63-L67 HydrophobicContact CD1-CD1 4.03Å; L63-L67 HydrophobicContact CD1-CG 4.2Å; L63-L67 HydrophobicContact CG-CD1 3.94Å; L63-L67 HydrophobicContact CG-CG 4.46Å; L63-L67 VanDerWaalsContact O-CB 3.31Å; L63-L67 WeakPolarHBondContact O-CB 3.44Å; L63-L67 WeakPolarHBondContact O-CG 3.06Å; L63-L67 PolarHBondContact O-N 2.91Å; F65-L67 VanDerWaalsContact C-N 3.26Å; F65-L67 PolarHBondContact O-N 2.95Å; L67-R70 CarbonylContact O-C 3.56Å; L67-R70 VanDerWaalsContact O-C 3.32Å; L67-R70 WeakPolarHBondContact O-CA 3.44Å; L67-R70 PolarHBondContact O-N 3.46Å; L67-R70 VanDerWaalsContact O-N 3.07Å; L67-D71 PolarHBondContact O-N 2.95Å; L67-V72 HydrophobicContact CB-CB 4.22Å; L67-V72 HydrophobicContact CD2-CB 4.41Å; L67-V72 PolarHBondContact O-N 2.78Å; L67-T74 HydrophobicContact CB-CG2 4.44Å; L67-T74 HydrophobicContact CD1-CG2 3.98Å; L67-I101 HydrophobicContact CD1-CD1 4.32Å |
| 68 | A | 84 | Confident | 85.8 | Confident | 54 Ų | 54 | 61.1 Ų | 61.1 | 45% | 0.446 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.2 | -37.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K64 F65 R70 D71 | K64-A68 WeakPolarHBondContact O-CB 3.37Å; K64-A68 PolarHBondContact O-N 2.61Å; F65-A68 WeakPolarHBondContact O-CB 3.4Å; F65-A68 PolarHBondContact O-N 3.33Å; A68-R70 PolarHBondContact O-N 2.82Å; A68-R70 VanDerWaalsContact O-N 3.12Å; A68-D71 PolarHBondContact O-N 3.23Å |
| 69 | E | 83.9 | Confident | 85 | Confident | 126 Ų | 126 | 57 Ų | 57 | 59% | 0.589 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -8.9 | 169.2 | -69.4 | -171 | 139.4 | 0 | 0 | 113.4 | F65 | F65-E69 HydrophobicContact CD1-CG 4.32Å; F65-E69 HydrophobicContact CE1-CG 3.92Å; F65-E69 VanDerWaalsContact CE1-OE1 3.23Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.42Å; F65-E69 WeakPolarHBondContact CE1-OE2 3.44Å; F65-E69 HydrophobicContact CZ-CG 4.25Å; F65-E69 WeakPolarHBondContact CZ-OE1 3.35Å; F65-E69 PolarHBondContact O-N 3.48Å |
| 70 | R | 86.6 | Confident | 84 | Confident | 41 Ų | 41 | 64.4 Ų | 64.4 | 16% | 0.155 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 24.5 | 177.7 | -65.2 | 171.8 | 172 | 84.5 | -1.9 | 112.1 | L33 D34 A37 R41 E66 L67 A68 V72 | L33-R70 VanDerWaalsContact CB-CZ 3.49Å; D34-R70 IonicContact OD1-CZ 2.94Å; D34-R70 IonicContact OD1-NE 2.71Å; D34-R70 PolarHBondContact OD1-NE 2.85Å; D34-R70 IonicContact OD1-NH2 3.29Å; D34-R70 PolarHBondContact OD1-NH2 3.14Å; A37-R70 HydrophobicContact CB-CB 3.81Å; A37-R70 HydrophobicContact CB-CG 4.48Å; R41-R70 VanDerWaalsContact CZ-O 3.3Å; R41-R70 PolarHBondContact NE-O 3.3Å; R41-R70 PolarHBondContact NH2-O 3.44Å; E66-R70 VanDerWaalsContact O-CD 3.27Å; E66-R70 WeakPolarHBondContact O-CD 3.43Å; E66-R70 VanDerWaalsContact O-CG 3.31Å; E66-R70 WeakPolarHBondContact O-CG 3.26Å; E66-R70 PolarHBondContact O-NH1 3.23Å; E66-R70 IonicContact OE2-CZ 2.7Å; E66-R70 IonicContact OE2-NH1 3.52Å; E66-R70 PolarHBondContact OE2-NH1 2.94Å; L67-R70 CarbonylContact O-C 3.56Å; L67-R70 VanDerWaalsContact O-C 3.32Å; L67-R70 WeakPolarHBondContact O-CA 3.44Å; L67-R70 PolarHBondContact O-N 3.46Å; L67-R70 VanDerWaalsContact O-N 3.07Å; A68-R70 PolarHBondContact O-N 2.82Å; A68-R70 VanDerWaalsContact O-N 3.12Å; R70-V72 WeakPolarHBondContact O-CG2 3.28Å; R70-V72 PolarHBondContact O-N 3.19Å |
| 71 | D | 80.7 | Confident | 83 | Confident | 132 Ų | 132 | 65.6 Ų | 65.6 | 71% | 0.706 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 25.3 | 178.7 | -58.5 | -52.2 | 0 | 0 | 0 | 114.9 | L67 A68 | L67-D71 PolarHBondContact O-N 2.95Å; A68-D71 PolarHBondContact O-N 3.23Å |
| 72 | V | 82.4 | Confident | 81.9 | Confident | 11 Ų | 11 | 65.9 Ų | 65.9 | 7% | 0.067 | 35% | 0.35 | C | S | . | . | trans | -107.1 | 103.1 | 177 | -173.7 | 0 | 0 | 0 | 0 | 110.6 | A37 L40 R41 L67 R70 T74 | A37-V72 HydrophobicContact CB-CG2 3.88Å; L40-V72 HydrophobicContact CB-CG1 3.77Å; L40-V72 HydrophobicContact CD1-CG1 3.82Å; L40-V72 HydrophobicContact CG-CG1 4.42Å; R41-V72 HydrophobicContact CG-CG2 3.85Å; L67-V72 HydrophobicContact CB-CB 4.22Å; L67-V72 HydrophobicContact CD2-CB 4.41Å; L67-V72 PolarHBondContact O-N 2.78Å; R70-V72 WeakPolarHBondContact O-CG2 3.28Å; R70-V72 PolarHBondContact O-N 3.19Å; V72-T74 HydrophobicContact CG1-CG2 3.99Å; V72-T74 PolarHBondContact O-N 2.78Å | ||
| 73 | N | 81.3 | Confident | 81 | Confident | 119 Ų | 119 | 63.5 Ų | 63.5 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | trans | -69.2 | 120 | 176.5 | -75.4 | -59 | 0 | 0 | 0 | 111.4 | Q98 | N73-Q98 HydrophobicContact CB-CG 4.25Š| ||
| 74 | T | 89.4 | Confident | 80.6 | Confident | 5 Ų | 5 | 63.7 Ų | 63.7 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 150.2 | -176.2 | 56.1 | 0 | 0 | 0 | 0 | 113 | L52 K64 L67 V72 A99 I101 | L52-T74 HydrophobicContact CD1-CG2 4.22Å; K64-T74 VanDerWaalsContact CE-O 3.23Å; K64-T74 WeakPolarHBondContact CE-O 3.45Å; K64-T74 PolarHBondContact NZ-O 3.25Å; L67-T74 HydrophobicContact CB-CG2 4.44Å; L67-T74 HydrophobicContact CD1-CG2 3.98Å; V72-T74 HydrophobicContact CG1-CG2 3.99Å; V72-T74 PolarHBondContact O-N 2.78Å; T74-A99 WeakPolarHBondContact CA-O 3.3Å; T74-A99 HydrophobicContact CG2-CB 4.27Å; T74-I101 HydrophobicContact CG2-CD1 4.09Å; T74-I101 HydrophobicContact CG2-CG1 4.49Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.45Å |
| 75 | I | 89.5 | Confident | 79.9 | Confident | 33 Ų | 33 | 62.2 Ų | 62.2 | 17% | 0.169 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 117.7 | 177.9 | -73.3 | 166.4 | 0 | 0 | 0 | 109.4 | V87 I96 Q98 A99 L100 I101 | I75-V87 HydrophobicContact CG2-CG1 3.84Å; I75-I96 HydrophobicContact CD1-CG2 3.21Å; I75-Q98 HydrophobicContact CD1-CB 4.03Å; I75-Q98 HydrophobicContact CG1-CB 4.22Å; I75-A99 PolarHBondContact N-O 3.26Å; I75-L100 HydrophobicContact CB-CD1 4.47Å; I75-L100 HydrophobicContact CG2-CD1 4.08Å; I75-L100 CarbonylContact O-C 3.55Å; I75-L100 WeakPolarHBondContact O-CA 3.41Å; I75-I101 PolarHBondContact O-N 2.85Å |
| 76 | L | 89.1 | Confident | 79.6 | Confident | 32 Ų | 32 | 61.7 Ų | 61.7 | 17% | 0.168 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 131.5 | 170.6 | 173.9 | 64.7 | 0 | 0 | 0 | 109.5 | A60 E61 K64 P78 I101 | A60-L76 HydrophobicContact CB-CD1 3.53Å; E61-L76 HydrophobicContact CB-CD2 4.37Å; E61-L76 HydrophobicContact CG-CD2 3.51Å; K64-L76 HydrophobicContact CD-CB 3.79Å; L76-P78 VanDerWaalsContact O-CD 3.23Å; L76-P78 WeakPolarHBondContact O-CD 3.32Å; L76-I101 WeakPolarHBondContact CA-O 2.99Å; L76-I101 HydrophobicContact CD1-CB 4.25Å; L76-I101 HydrophobicContact CD1-CG2 4.03Å |
| 77 | L | 82.6 | Confident | 79.3 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.016 | 36% | 0.36 | C | S | . | . | trans | -93.2 | 100.3 | 166.2 | -77.8 | 171 | 0 | 0 | 0 | 110.1 | V84 V87 L88 L100 I101 L102 M106 | L77-V84 HydrophobicContact CD2-CG1 4.49Å; L77-V84 HydrophobicContact CD2-CG2 4.24Å; L77-V87 HydrophobicContact CD2-CB 4.09Å; L77-V87 HydrophobicContact CD2-CG1 3.89Å; L77-L88 HydrophobicContact CD1-CD1 4.21Å; L77-L88 HydrophobicContact CD1-CD2 3.61Å; L77-L88 HydrophobicContact CD1-CG 3.77Å; L77-L88 HydrophobicContact CD2-CG 4.26Å; L77-L100 HydrophobicContact CD1-CD1 3.76Å; L77-L100 HydrophobicContact CD1-CD2 3.84Å; L77-L100 HydrophobicContact CD1-CG 3.93Å; L77-L100 HydrophobicContact CG-CD1 3.87Å; L77-L100 HydrophobicContact CG-CG 4.45Å; L77-I101 PolarHBondContact N-O 3.04Å; L77-L102 HydrophobicContact CB-CB 4.48Å; L77-M106 HydrophobicContact CB-CE 3.81Å | ||
| 78 | P | 74.1 | Confident | 79.2 | Confident | 55 Ų | 55 | 62.6 Ų | 62.6 | 36% | 0.357 | 36% | 0.363 | S | S | . | . | trans | -73 | 140.4 | 178.4 | 30.3 | -35 | 0 | 0 | 0 | 110.6 | L76 H80 G81 V84 | L76-P78 VanDerWaalsContact O-CD 3.23Å; L76-P78 WeakPolarHBondContact O-CD 3.32Å; P78-H80 PolarHBondContact O-N 3.21Å; P78-G81 PolarHBondContact O-N 3.3Å; P78-V84 WeakPolarHBondContact O-CG2 3.1Å | ||
| 79 | P | 66.1 | Low | 79 | Confident | 38 Ų | 38 | 64.6 Ų | 64.6 | 25% | 0.247 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -13 | -166.8 | 20.8 | -32.8 | 0 | 0 | 0 | 116.1 | N57 M106 | N57-P79 HydrophobicContact CB-CG 4.25Å; N57-P79 WeakPolarHBondContact OD1-CD 3.47Å; P79-M106 VanDerWaalsContact CA-SD 3.57Å; P79-M106 HydrophobicContact CB-CG 4.24Å; P79-M106 HydrophobicContact CB-SD 4.24Å |
| 80 | H | 66.6 | Low | 78.9 | Confident | 184 Ų | 184 | 62.4 Ų | 62.4 | 85% | 0.852 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.2 | 24.9 | 179.5 | -54.3 | -34 | 0 | 0 | 0 | 112.7 | P78 A82 | P78-H80 PolarHBondContact O-N 3.21Å; H80-A82 PolarHBondContact O-N 3.02Å |
| 81 | G | 67.3 | Low | 78.9 | Confident | 26 Ų | 26 | 60.5 Ų | 60.5 | 27% | 0.268 | 35% | 0.351 | S | S | . | . | trans | -71.9 | 123.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | P78 M83 V84 | P78-G81 PolarHBondContact O-N 3.3Å; G81-M83 PolarHBondContact O-N 3.17Å; G81-V84 WeakPolarHBondContact O-CB 3.08Å; G81-V84 WeakPolarHBondContact O-CG2 3.48Å; G81-V84 PolarHBondContact O-N 2.73Å | ||
| 82 | A | 64.5 | Low | 78.9 | Confident | 108 Ų | 108 | 55.9 Ų | 55.9 | 89% | 0.893 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -19.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | H80 | H80-A82 PolarHBondContact O-N 3.02Š|
| 83 | M | 69.8 | Low | 78.7 | Confident | 112 Ų | 112 | 61.7 Ų | 61.7 | 55% | 0.552 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -0.7 | 179.9 | -53.3 | -63.7 | -76.9 | 0 | 0 | 113.6 | G81 G85 Q86 V87 | G81-M83 PolarHBondContact O-N 3.17Å; M83-G85 PolarHBondContact O-N 3.04Å; M83-Q86 WeakPolarHBondContact O-CA 3.31Å; M83-Q86 PolarHBondContact O-N 3.03Å; M83-V87 HydrophobicContact CB-CG2 4.27Å; M83-V87 PolarHBondContact O-N 3.08Å |
| 84 | V | 79.3 | Confident | 78.4 | Confident | 18 Ų | 18 | 57.5 Ų | 57.5 | 11% | 0.109 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -47.9 | -52.8 | -172.6 | 156.4 | 0 | 0 | 0 | 0 | 112.6 | L77 P78 G81 Q86 V87 L88 M106 | L77-V84 HydrophobicContact CD2-CG1 4.49Å; L77-V84 HydrophobicContact CD2-CG2 4.24Å; P78-V84 WeakPolarHBondContact O-CG2 3.1Å; G81-V84 WeakPolarHBondContact O-CB 3.08Å; G81-V84 WeakPolarHBondContact O-CG2 3.48Å; G81-V84 PolarHBondContact O-N 2.73Å; V84-Q86 VanDerWaalsContact C-N 3.29Å; V84-Q86 PolarHBondContact O-N 3.26Å; V84-V87 PolarHBondContact O-N 3.09Å; V84-L88 HydrophobicContact CG1-CD1 3.83Å; V84-L88 WeakPolarHBondContact O-CB 3.49Å; V84-L88 PolarHBondContact O-N 3.04Å; V84-M106 HydrophobicContact CB-CE 4.35Å; V84-M106 HydrophobicContact CG1-CE 3.66Å; V84-M106 HydrophobicContact CG2-CE 3.66Å |
| 85 | G | 77.6 | Confident | 77.8 | Confident | 52 Ų | 52 | 65.4 Ų | 65.4 | 54% | 0.536 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.3 | -27.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | M83 L89 | M83-G85 PolarHBondContact O-N 3.04Å; G85-L89 WeakPolarHBondContact O-CB 3.45Å; G85-L89 PolarHBondContact O-N 3.31Å |
| 86 | Q | 80.2 | Confident | 77.4 | Confident | 116 Ų | 116 | 65.4 Ų | 65.4 | 54% | 0.542 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -77.4 | -40.9 | 175.4 | -67.2 | -176.5 | -9 | 0 | 0 | 111.5 | M83 V84 L89 L90 | M83-Q86 WeakPolarHBondContact O-CA 3.31Å; M83-Q86 PolarHBondContact O-N 3.03Å; V84-Q86 VanDerWaalsContact C-N 3.29Å; V84-Q86 PolarHBondContact O-N 3.26Å; Q86-L89 PolarHBondContact O-N 2.99Å; Q86-L90 WeakPolarHBondContact O-CB 3.38Å; Q86-L90 VanDerWaalsContact O-CG 3.28Å; Q86-L90 WeakPolarHBondContact O-CG 3.43Å; Q86-L90 PolarHBondContact O-N 3.02Å |
| 87 | V | 82.9 | Confident | 76.9 | Confident | 38 Ų | 38 | 67.2 Ų | 67.2 | 23% | 0.23 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.2 | -46 | 175.1 | 175.1 | 0 | 0 | 0 | 0 | 110.4 | I75 L77 M83 V84 L89 L90 W91 | I75-V87 HydrophobicContact CG2-CG1 3.84Å; L77-V87 HydrophobicContact CD2-CB 4.09Å; L77-V87 HydrophobicContact CD2-CG1 3.89Å; M83-V87 HydrophobicContact CB-CG2 4.27Å; M83-V87 PolarHBondContact O-N 3.08Å; V84-V87 PolarHBondContact O-N 3.09Å; V87-L89 PolarHBondContact O-N 2.89Å; V87-L90 PolarHBondContact O-N 3.41Å; V87-W91 VanDerWaalsContact O-CB 3.27Å; V87-W91 WeakPolarHBondContact O-CB 3.5Å; V87-W91 PolarHBondContact O-N 3.1Å |
| 88 | L | 84.4 | Confident | 77 | Confident | 12 Ų | 12 | 70.7 Ų | 70.7 | 6% | 0.063 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.1 | -42 | 174.2 | -81.1 | 164.7 | 0 | 0 | 0 | 112.5 | L77 V84 W91 S92 L100 H109 L110 | L77-L88 HydrophobicContact CD1-CD1 4.21Å; L77-L88 HydrophobicContact CD1-CD2 3.61Å; L77-L88 HydrophobicContact CD1-CG 3.77Å; L77-L88 HydrophobicContact CD2-CG 4.26Å; V84-L88 HydrophobicContact CG1-CD1 3.83Å; V84-L88 WeakPolarHBondContact O-CB 3.49Å; V84-L88 PolarHBondContact O-N 3.04Å; L88-W91 PolarHBondContact O-N 3.28Å; L88-S92 VanDerWaalsContact O-CB 3.28Å; L88-S92 WeakPolarHBondContact O-CB 3.19Å; L88-S92 PolarHBondContact O-N 3.29Å; L88-S92 PolarHBondContact O-OG 2.8Å; L88-S92 VanDerWaalsContact O-OG 3.07Å; L88-L100 HydrophobicContact CD2-CD2 4.04Å; L88-H109 VanDerWaalsContact CD1-O 3.25Å; L88-H109 WeakPolarHBondContact CD1-O 3.32Å; L88-L110 HydrophobicContact CD2-CD2 4.02Å |
| 89 | L | 80.8 | Confident | 77.7 | Confident | 96 Ų | 96 | 68.7 Ų | 68.7 | 50% | 0.503 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.9 | -35.1 | 178.2 | -178 | 63.4 | 0 | 0 | 0 | 113.2 | G85 Q86 V87 S92 K93 | G85-L89 WeakPolarHBondContact O-CB 3.45Å; G85-L89 PolarHBondContact O-N 3.31Å; Q86-L89 PolarHBondContact O-N 2.99Å; V87-L89 PolarHBondContact O-N 2.89Å; L89-S92 PolarHBondContact O-OG 3.36Å; L89-K93 HydrophobicContact CD1-CD 4.33Å; L89-K93 WeakPolarHBondContact O-CB 3.34Å; L89-K93 VanDerWaalsContact O-CG 3.3Å; L89-K93 WeakPolarHBondContact O-CG 3.43Å; L89-K93 PolarHBondContact O-N 3.34Å |
| 90 | L | 81.6 | Confident | 78.9 | Confident | 79 Ų | 79 | 66.9 Ų | 66.9 | 41% | 0.414 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -74.2 | -38.6 | 176.2 | -71 | 170.2 | 0 | 0 | 0 | 111.5 | Q86 V87 G94 Y95 I96 | Q86-L90 WeakPolarHBondContact O-CB 3.38Å; Q86-L90 VanDerWaalsContact O-CG 3.28Å; Q86-L90 WeakPolarHBondContact O-CG 3.43Å; Q86-L90 PolarHBondContact O-N 3.02Å; V87-L90 PolarHBondContact O-N 3.41Å; L90-G94 PolarHBondContact O-N 2.91Å; L90-Y95 HydrophobicContact CD2-CD2 3.76Å; L90-Y95 HydrophobicContact CD2-CG 4.21Å; L90-Y95 PolarHBondContact O-N 2.91Å; L90-I96 HydrophobicContact CB-CD1 3.53Å; L90-I96 HydrophobicContact CB-CG1 3.91Å; L90-I96 HydrophobicContact CD1-CD1 4.31Å |
| 91 | W | 87.2 | Confident | 80.1 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.5 | -47.2 | 176.1 | -171.6 | 87.8 | 0 | 0 | 0 | 112.5 | K49 I51 V87 L88 K93 G94 I96 Q98 L100 V113 A115 | K49-W91 HydrophobicContact CB-CH2 3.75Å; K49-W91 HydrophobicContact CB-CZ2 3.81Å; K49-W91 HydrophobicContact CB-CZ3 4.48Å; K49-W91 HydrophobicContact CG-CH2 4.39Å; K49-W91 HydrophobicContact CG-CZ2 4.31Å; I51-W91 HydrophobicContact CD1-CH2 4.02Å; I51-W91 HydrophobicContact CD1-CZ3 4.37Å; I51-W91 HydrophobicContact CG1-CH2 3.57Å; I51-W91 HydrophobicContact CG1-CZ2 4.17Å; I51-W91 HydrophobicContact CG1-CZ3 4.35Å; V87-W91 VanDerWaalsContact O-CB 3.27Å; V87-W91 WeakPolarHBondContact O-CB 3.5Å; V87-W91 PolarHBondContact O-N 3.1Å; L88-W91 PolarHBondContact O-N 3.28Å; W91-K93 PolarHBondContact O-N 3.07Å; W91-G94 PolarHBondContact O-N 3.3Å; W91-I96 HydrophobicContact CB-CB 4.25Å; W91-I96 VanDerWaalsContact CD1-O 3.3Å; W91-Q98 PolarHBondContact NE1-O 2.86Å; W91-L100 HydrophobicContact CD2-CB 4.38Å; W91-L100 HydrophobicContact CD2-CD2 3.93Å; W91-L100 HydrophobicContact CE3-CD2 3.94Å; W91-L100 HydrophobicContact CG-CD1 4.39Å; W91-L100 HydrophobicContact CH2-CB 4.48Å; W91-L100 HydrophobicContact CH2-CD2 4.29Å; W91-L100 HydrophobicContact CZ2-CB 3.79Å; W91-L100 HydrophobicContact CZ2-CD2 4.27Å; W91-L100 HydrophobicContact CZ3-CD2 4.13Å; W91-V113 HydrophobicContact CZ3-CB 4.25Å; W91-V113 HydrophobicContact CZ3-CG2 4.23Å; W91-A115 HydrophobicContact CH2-CB 4.33Å |
| 92 | S | 79.8 | Confident | 81.2 | Confident | 35 Ų | 35 | 56.9 Ų | 56.9 | 25% | 0.245 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.2 | -33 | 177.9 | 68 | 0 | 0 | 0 | 0 | 112.4 | K49 L88 L89 | K49-S92 PolarHBondContact NZ-O 3.34Å; L88-S92 VanDerWaalsContact O-CB 3.28Å; L88-S92 WeakPolarHBondContact O-CB 3.19Å; L88-S92 PolarHBondContact O-N 3.29Å; L88-S92 PolarHBondContact O-OG 2.8Å; L88-S92 VanDerWaalsContact O-OG 3.07Å; L89-S92 PolarHBondContact O-OG 3.36Å |
| 93 | K | 79.8 | Confident | 82.5 | Confident | 133 Ų | 133 | 52 Ų | 52 | 58% | 0.578 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -3.5 | 172.9 | -72 | -173.4 | 175.1 | -170.7 | 0 | 115.6 | L89 W91 Y95 | L89-K93 HydrophobicContact CD1-CD 4.33Å; L89-K93 WeakPolarHBondContact O-CB 3.34Å; L89-K93 VanDerWaalsContact O-CG 3.3Å; L89-K93 WeakPolarHBondContact O-CG 3.43Å; L89-K93 PolarHBondContact O-N 3.34Å; W91-K93 PolarHBondContact O-N 3.07Å; K93-Y95 HydrophobicContact CB-CD2 3.67Å; K93-Y95 HydrophobicContact CB-CE2 3.68Å; K93-Y95 HydrophobicContact CD-CD2 4.49Å; K93-Y95 HydrophobicContact CD-CE2 3.89Å; K93-Y95 HydrophobicContact CG-CE2 4.45Å |
| 94 | G | 73.4 | Confident | 83.2 | Confident | 31 Ų | 31 | 48.4 Ų | 48.4 | 32% | 0.32 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 20.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L90 W91 N97 | L90-G94 PolarHBondContact O-N 2.91Å; W91-G94 PolarHBondContact O-N 3.3Å; G94-N97 PolarHBondContact O-OD1 3.12Å |
| 95 | Y | 77.9 | Confident | 83.4 | Confident | 171 Ų | 171 | 49.8 Ų | 49.8 | 67% | 0.671 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -80.4 | -7.5 | 165.9 | -61.4 | -68.6 | 0 | 0 | 0 | 112.4 | L90 K93 | L90-Y95 HydrophobicContact CD2-CD2 3.76Å; L90-Y95 HydrophobicContact CD2-CG 4.21Å; L90-Y95 PolarHBondContact O-N 2.91Å; K93-Y95 HydrophobicContact CB-CD2 3.67Å; K93-Y95 HydrophobicContact CB-CE2 3.68Å; K93-Y95 HydrophobicContact CD-CD2 4.49Å; K93-Y95 HydrophobicContact CD-CE2 3.89Å; K93-Y95 HydrophobicContact CG-CE2 4.45Å |
| 96 | I | 80.9 | Confident | 83.8 | Confident | 33 Ų | 33 | 47.5 Ų | 47.5 | 17% | 0.169 | 25% | 0.253 | C | S | . | . | trans | -135.9 | 113.1 | -178.6 | -60 | 179.4 | 0 | 0 | 0 | 108.2 | I75 L90 W91 | I75-I96 HydrophobicContact CD1-CG2 3.21Å; L90-I96 HydrophobicContact CB-CD1 3.53Å; L90-I96 HydrophobicContact CB-CG1 3.91Å; L90-I96 HydrophobicContact CD1-CD1 4.31Å; W91-I96 HydrophobicContact CB-CB 4.25Å; W91-I96 VanDerWaalsContact CD1-O 3.3Å | ||
| 97 | N | 77.4 | Confident | 84 | Confident | 69 Ų | 69 | 42.2 Ų | 42.2 | 37% | 0.369 | 23% | 0.229 | S | C | . | . | trans | -102.4 | 12.3 | -171.2 | -72 | 2.4 | 0 | 0 | 0 | 113.5 | A45 N46 G94 | A45-N97 WeakPolarHBondContact O-CB 3.39Å; A45-N97 VanDerWaalsContact O-O 3.13Å; N46-N97 PolarHBondContact OD1-ND2 3.05Å; G94-N97 PolarHBondContact O-OD1 3.12Å | ||
| 98 | Q | 86 | Confident | 83.7 | Confident | 77 Ų | 77 | 46.4 Ų | 46.4 | 36% | 0.36 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -91.3 | 147.4 | 179.6 | -64.5 | -178.3 | 13.4 | 0 | 0 | 110.8 | N73 I75 W91 | N73-Q98 HydrophobicContact CB-CG 4.25Å; I75-Q98 HydrophobicContact CD1-CB 4.03Å; I75-Q98 HydrophobicContact CG1-CB 4.22Å; W91-Q98 PolarHBondContact NE1-O 2.86Å |
| 99 | A | 88.3 | Confident | 83.3 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 11% | 0.107 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 140.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L40 T50 L52 T74 I75 | L40-A99 HydrophobicContact CD2-CB 3.9Å; T50-A99 HydrophobicContact CG2-CB 4.42Å; T50-A99 WeakPolarHBondContact O-CA 3.49Å; L52-A99 HydrophobicContact CD1-CB 3.71Å; T74-A99 WeakPolarHBondContact CA-O 3.3Å; T74-A99 HydrophobicContact CG2-CB 4.27Å; I75-A99 PolarHBondContact N-O 3.26Å |
| 100 | L | 90.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 108.1 | -166.6 | -169 | 71.4 | 0 | 0 | 0 | 111.3 | T50 I51 L52 I75 L77 L88 W91 L102 L110 | T50-L100 PolarHBondContact O-N 2.76Å; I51-L100 CarbonylContact C-O 3.56Å; I51-L100 WeakPolarHBondContact CA-O 3.26Å; L52-L100 PolarHBondContact N-O 2.8Å; I75-L100 HydrophobicContact CB-CD1 4.47Å; I75-L100 HydrophobicContact CG2-CD1 4.08Å; I75-L100 CarbonylContact O-C 3.55Å; I75-L100 WeakPolarHBondContact O-CA 3.41Å; L77-L100 HydrophobicContact CD1-CD1 3.76Å; L77-L100 HydrophobicContact CD1-CD2 3.84Å; L77-L100 HydrophobicContact CD1-CG 3.93Å; L77-L100 HydrophobicContact CG-CD1 3.87Å; L77-L100 HydrophobicContact CG-CG 4.45Å; L88-L100 HydrophobicContact CD2-CD2 4.04Å; W91-L100 HydrophobicContact CD2-CB 4.38Å; W91-L100 HydrophobicContact CD2-CD2 3.93Å; W91-L100 HydrophobicContact CE3-CD2 3.94Å; W91-L100 HydrophobicContact CG-CD1 4.39Å; W91-L100 HydrophobicContact CH2-CB 4.48Å; W91-L100 HydrophobicContact CH2-CD2 4.29Å; W91-L100 HydrophobicContact CZ2-CB 3.79Å; W91-L100 HydrophobicContact CZ2-CD2 4.27Å; W91-L100 HydrophobicContact CZ3-CD2 4.13Å; L100-L102 HydrophobicContact CD2-CD2 4.3Å; L100-L110 HydrophobicContact CD2-CD2 4.4Å |
| 101 | I | 92.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 131.1 | 177.2 | -53.9 | 170 | 0 | 0 | 0 | 110.1 | L52 A60 L63 K64 L67 T74 I75 L76 L77 | L52-I101 HydrophobicContact CB-CB 4.3Å; L52-I101 HydrophobicContact CB-CG1 3.82Å; L52-I101 HydrophobicContact CB-CG2 4.48Å; L52-I101 HydrophobicContact CD1-CD1 4.34Å; L52-I101 HydrophobicContact CD1-CG1 3.58Å; L52-I101 HydrophobicContact CG-CG1 4.32Å; L52-I101 WeakPolarHBondContact O-CA 3.49Å; A60-I101 HydrophobicContact CB-CG2 3.75Å; L63-I101 HydrophobicContact CD2-CD1 4.42Å; L63-I101 HydrophobicContact CD2-CG1 4.49Å; L63-I101 HydrophobicContact CD2-CG2 4.13Å; L63-I101 HydrophobicContact CG-CD1 4.3Å; K64-I101 HydrophobicContact CB-CD1 3.77Å; L67-I101 HydrophobicContact CD1-CD1 4.32Å; T74-I101 HydrophobicContact CG2-CD1 4.09Å; T74-I101 HydrophobicContact CG2-CG1 4.49Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.45Å; I75-I101 PolarHBondContact O-N 2.85Å; L76-I101 WeakPolarHBondContact CA-O 2.99Å; L76-I101 HydrophobicContact CD1-CB 4.25Å; L76-I101 HydrophobicContact CD1-CG2 4.03Å; L77-I101 PolarHBondContact N-O 3.04Å |
| 102 | L | 91.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 161.2 | 176 | 60.8 | 92.2 | 0 | 0 | 0 | 111.9 | I51 L52 I53 C54 L77 L100 M106 L107 L110 | I51-L102 HydrophobicContact CG2-CD2 3.73Å; I51-L102 HydrophobicContact CG2-CG 4.17Å; L52-L102 PolarHBondContact O-N 2.95Å; I53-L102 WeakPolarHBondContact CA-O 3.27Å; I53-L102 HydrophobicContact CG1-CD1 4.13Å; I53-L102 HydrophobicContact CG2-CD1 4.32Å; C54-L102 PolarHBondContact N-O 3.15Å; L77-L102 HydrophobicContact CB-CB 4.48Å; L100-L102 HydrophobicContact CD2-CD2 4.3Å; L102-M106 HydrophobicContact CB-CB 4.1Å; L102-L107 HydrophobicContact CD1-CD2 3.82Å; L102-L107 HydrophobicContact CD1-CG 4.47Å; L102-L110 HydrophobicContact CD1-CD1 4.39Å; L102-L110 HydrophobicContact CD2-CD1 3.85Å; L102-L110 HydrophobicContact CD2-CD2 3.97Å; L102-L110 HydrophobicContact CD2-CG 4.03Å |
| 103 | C | 90.8 | Very high | 81.5 | Confident | 6 Ų | 6 | 48 Ų | 48 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 166.7 | 173.3 | 60.7 | 0 | 0 | 0 | 0 | 111.8 | C54 G105 M106 | C54-C103 CarbonylContact O-C 3.57Å; C54-C103 VanDerWaalsContact O-CA 3.26Å; C54-C103 WeakPolarHBondContact O-CA 3.45Å; C103-G105 PolarHBondContact O-N 3.35Å; C103-G105 VanDerWaalsContact O-N 3.11Å; C103-M106 WeakPolarHBondContact O-CB 3.4Å; C103-M106 PolarHBondContact O-N 2.86Å |
| 104 | D | 86.3 | Confident | 81.2 | Confident | 35 Ų | 35 | 49 Ų | 49 | 19% | 0.187 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -51.3 | -38.4 | 179.7 | -76.4 | -35.8 | 0 | 0 | 0 | 113.8 | C54 Q55 M106 L107 R132 | C54-D104 PolarHBondContact O-N 2.87Å; C54-D104 VanDerWaalsContact O-N 3.13Å; Q55-D104 WeakPolarHBondContact CA-OD2 3.4Å; Q55-D104 PolarHBondContact O-N 3.41Å; D104-M106 PolarHBondContact O-N 3.5Å; D104-L107 HydrophobicContact CB-CD1 4.29Å; D104-L107 WeakPolarHBondContact O-CB 3.45Å; D104-L107 WeakPolarHBondContact O-CG 3.19Å; D104-L107 PolarHBondContact O-N 2.94Å; D104-L107 VanDerWaalsContact O-N 3.07Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.26Å; D104-R132 IonicContact OD1-CZ 3.67Å; D104-R132 IonicContact OD1-NE 3.67Å; D104-R132 PolarHBondContact OD1-NE 3.38Å; D104-R132 IonicContact OD1-NH2 2.71Å; D104-R132 PolarHBondContact OD1-NH2 2.91Å; D104-R132 IonicContact OD2-CZ 3.05Å; D104-R132 IonicContact OD2-NE 3.23Å; D104-R132 IonicContact OD2-NH2 3.85Å; D104-R132 PolarHBondContact OD2-NH2 2.85Å |
| 105 | G | 82.8 | Confident | 81.5 | Confident | 48 Ų | 48 | 47.8 Ų | 47.8 | 50% | 0.495 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -65 | 4 | 175 | 0 | 0 | 0 | 0 | 0 | 116 | C103 | C103-G105 PolarHBondContact O-N 3.35Å; C103-G105 VanDerWaalsContact O-N 3.11Å |
| 106 | M | 85.4 | Confident | 81.8 | Confident | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -116.7 | 1.7 | 175 | -73 | -65.7 | -88.2 | 0 | 0 | 113.6 | L77 P79 V84 L102 C103 D104 E108 H109 L110 | L77-M106 HydrophobicContact CB-CE 3.81Å; P79-M106 VanDerWaalsContact CA-SD 3.57Å; P79-M106 HydrophobicContact CB-CG 4.24Å; P79-M106 HydrophobicContact CB-SD 4.24Å; V84-M106 HydrophobicContact CB-CE 4.35Å; V84-M106 HydrophobicContact CG1-CE 3.66Å; V84-M106 HydrophobicContact CG2-CE 3.66Å; L102-M106 HydrophobicContact CB-CB 4.1Å; C103-M106 WeakPolarHBondContact O-CB 3.4Å; C103-M106 PolarHBondContact O-N 2.86Å; D104-M106 PolarHBondContact O-N 3.5Å; M106-E108 PolarHBondContact O-N 3.25Å; M106-H109 HydrophobicContact CE-CB 4.29Å; M106-H109 WeakPolarHBondContact O-CB 3.34Å; M106-H109 PolarHBondContact O-N 3Å; M106-H109 VanDerWaalsContact O-N 3.09Å; M106-H109 HydrophobicContact SD-CB 4.07Å; M106-L110 PolarHBondContact O-N 3.12Å |
| 107 | L | 83.6 | Confident | 82 | Confident | 6 Ų | 6 | 41.6 Ų | 41.6 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -65.8 | -38 | 179 | -64.9 | 170.7 | 0 | 0 | 0 | 112.4 | I53 L102 D104 H109 L110 R132 W135 L136 | I53-L107 HydrophobicContact CD1-CD2 4.19Å; L102-L107 HydrophobicContact CD1-CD2 3.82Å; L102-L107 HydrophobicContact CD1-CG 4.47Å; D104-L107 HydrophobicContact CB-CD1 4.29Å; D104-L107 WeakPolarHBondContact O-CB 3.45Å; D104-L107 WeakPolarHBondContact O-CG 3.19Å; D104-L107 PolarHBondContact O-N 2.94Å; D104-L107 VanDerWaalsContact O-N 3.07Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.26Å; L107-H109 PolarHBondContact O-N 3.4Å; L107-L110 HydrophobicContact CD2-CD1 4.01Å; L107-L110 PolarHBondContact O-N 2.88Å; L107-R132 HydrophobicContact CD1-CB 3.94Å; L107-R132 HydrophobicContact CD1-CG 3.78Å; L107-W135 HydrophobicContact CB-CB 3.95Å; L107-W135 HydrophobicContact CB-CG 4.05Å; L107-L136 HydrophobicContact CD2-CD2 4.32Å |
| 108 | E | 78.5 | Confident | 82.6 | Confident | 125 Ų | 125 | 38.3 Ų | 38.3 | 58% | 0.584 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -62.6 | -23.9 | 172.8 | 70.1 | 179.7 | 179.5 | 0 | 0 | 113.2 | M106 W135 | M106-E108 PolarHBondContact O-N 3.25Å; E108-W135 HydrophobicContact CB-CH2 3.95Å; E108-W135 HydrophobicContact CB-CZ2 4.11Å; E108-W135 HydrophobicContact CB-CZ3 4.26Å |
| 109 | H | 75.9 | Confident | 82.8 | Confident | 86 Ų | 86 | 34.6 Ų | 34.6 | 40% | 0.398 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -88.8 | -15.8 | -175.3 | -74.1 | 88.8 | 0 | 0 | 0 | 113.6 | L88 M106 L107 G111 | L88-H109 VanDerWaalsContact CD1-O 3.25Å; L88-H109 WeakPolarHBondContact CD1-O 3.32Å; M106-H109 HydrophobicContact CE-CB 4.29Å; M106-H109 WeakPolarHBondContact O-CB 3.34Å; M106-H109 PolarHBondContact O-N 3Å; M106-H109 VanDerWaalsContact O-N 3.09Å; M106-H109 HydrophobicContact SD-CB 4.07Å; L107-H109 PolarHBondContact O-N 3.4Å; H109-G111 VanDerWaalsContact C-N 3.29Å; H109-G111 PolarHBondContact O-N 3.06Å |
| 110 | L | 75.9 | Confident | 82.9 | Confident | 9 Ų | 9 | 34 Ų | 34 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | trans | -62.1 | -32.4 | -178 | -91 | 157.9 | 0 | 0 | 0 | 113.4 | I51 L88 L100 L102 M106 L107 V113 | I51-L110 HydrophobicContact CD1-CD2 4.03Å; L88-L110 HydrophobicContact CD2-CD2 4.02Å; L100-L110 HydrophobicContact CD2-CD2 4.4Å; L102-L110 HydrophobicContact CD1-CD1 4.39Å; L102-L110 HydrophobicContact CD2-CD1 3.85Å; L102-L110 HydrophobicContact CD2-CD2 3.97Å; L102-L110 HydrophobicContact CD2-CG 4.03Å; M106-L110 PolarHBondContact O-N 3.12Å; L107-L110 HydrophobicContact CD2-CD1 4.01Å; L107-L110 PolarHBondContact O-N 2.88Å; L110-V113 HydrophobicContact CD2-CG2 3.89Å | ||
| 111 | G | 71.4 | Confident | 82.7 | Confident | 41 Ų | 41 | 35.2 Ų | 35.2 | 42% | 0.423 | 20% | 0.204 | S | C | . | . | trans | 66.4 | -139.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | H109 S139 | H109-G111 VanDerWaalsContact C-N 3.29Å; H109-G111 PolarHBondContact O-N 3.06Å; G111-S139 VanDerWaalsContact O-CA 3.23Å; G111-S139 WeakPolarHBondContact O-CA 3.15Å; G111-S139 WeakPolarHBondContact O-CB 3.5Å; G111-S139 PolarHBondContact O-OG 3.32Å | ||
| 112 | V | 69.3 | Low | 82.3 | Confident | 114 Ų | 114 | 37.4 Ų | 37.4 | 69% | 0.691 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -106.9 | 118.8 | 170.2 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | ||
| 113 | V | 73.9 | Confident | 81.9 | Confident | 9 Ų | 9 | 41 Ų | 41 | 6% | 0.055 | 24% | 0.236 | C | C | . | . | trans | -131.3 | 149.1 | 176.1 | -65.2 | 0 | 0 | 0 | 0 | 111.1 | I51 W91 L110 S139 | I51-V113 HydrophobicContact CD1-CG2 4.21Å; W91-V113 HydrophobicContact CZ3-CB 4.25Å; W91-V113 HydrophobicContact CZ3-CG2 4.23Å; L110-V113 HydrophobicContact CD2-CG2 3.89Å; V113-S139 CarbonylContact C-O 3.51Å; V113-S139 VanDerWaalsContact CG2-O 3.22Å; V113-S139 WeakPolarHBondContact CG2-O 3.16Å; V113-S139 PolarHBondContact N-O 3.44Å | ||
| 114 | E | 72.8 | Confident | 81.3 | Confident | 153 Ų | 153 | 41.3 Ų | 41.3 | 72% | 0.715 | 24% | 0.238 | S | C | * | . | trans | -86.4 | 117.2 | 167.9 | -66.6 | 177 | 156.3 | 0 | 0 | 108.2 | K49 | K49-E114 WeakPolarHBondContact CD-O 3.31Š| ||
| 115 | A | 81.1 | Confident | 80.9 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 5% | 0.05 | 26% | 0.257 | C | S | . | . | trans | -126.9 | 136.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | K49 I51 W91 A140 A143 | K49-A115 CarbonylContact O-C 3.57Å; K49-A115 WeakPolarHBondContact O-CA 3.39Å; I51-A115 HydrophobicContact CD1-CB 3.68Å; I51-A115 HydrophobicContact CG1-CB 3.98Å; W91-A115 HydrophobicContact CH2-CB 4.33Å; A115-A140 HydrophobicContact CB-CB 4.31Å; A115-A143 WeakPolarHBondContact O-CA 3.18Å; A115-A143 VanDerWaalsContact O-CB 3.28Å; A115-A143 WeakPolarHBondContact O-CB 3.38Å | ||
| 116 | N | 83.3 | Confident | 80.5 | Confident | 72 Ų | 72 | 48.9 Ų | 48.9 | 39% | 0.385 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -86.4 | -32.6 | -178.7 | -57.6 | 87.5 | 0 | 0 | 0 | 111.3 | E48 K49 E144 | E48-N116 HydrophobicContact CB-CB 4.19Å; E48-N116 HydrophobicContact CG-CB 4.34Å; K49-N116 PolarHBondContact N-OD1 3.33Å; K49-N116 PolarHBondContact O-N 2.86Å; N116-E144 PolarHBondContact O-N 3.4Å |
| 117 | L | 85.7 | Confident | 79.9 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 134 | -178.1 | -179.8 | 68.5 | 0 | 0 | 0 | 110.2 | T39 K49 T50 I51 I119 E144 L146 | T39-L117 HydrophobicContact CG2-CD2 4.23Å; K49-L117 PolarHBondContact O-N 3.45Å; T50-L117 WeakPolarHBondContact CA-O 3.19Å; T50-L117 HydrophobicContact CG2-CB 4.16Å; T50-L117 HydrophobicContact CG2-CD2 3.86Å; T50-L117 HydrophobicContact CG2-CG 4.13Å; I51-L117 PolarHBondContact N-O 3.34Å; L117-I119 HydrophobicContact CD1-CG1 4.42Å; L117-I119 HydrophobicContact CD2-CD1 3.71Å; L117-I119 HydrophobicContact CD2-CG1 3.77Å; L117-I119 HydrophobicContact CG-CD1 4.31Å; L117-I119 HydrophobicContact CG-CG1 3.8Å; L117-E144 WeakPolarHBondContact CA-O 3.4Å; L117-E144 HydrophobicContact CD1-CB 4.03Å; L117-E144 HydrophobicContact CD1-CG 4.17Å; L117-L146 HydrophobicContact CD1-CB 4.1Å |
| 118 | V | 89.3 | Confident | 79.6 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 122.7 | 169.1 | 174.6 | 0 | 0 | 0 | 0 | 108.2 | I51 I53 L136 A140 A143 E144 M145 L146 | I51-V118 HydrophobicContact CB-CG2 4.32Å; I53-V118 HydrophobicContact CD1-CG1 3.44Å; I53-V118 VanDerWaalsContact CD1-CG1 3.44Å; I53-V118 HydrophobicContact CG1-CG1 4.13Å; V118-L136 HydrophobicContact CG1-CD1 4.14Å; V118-L136 HydrophobicContact CG1-CD2 4.37Å; V118-L136 HydrophobicContact CG2-CD2 4.47Å; V118-A140 HydrophobicContact CG2-CB 4.18Å; V118-A143 HydrophobicContact CG2-CB 3.82Å; V118-E144 PolarHBondContact N-O 3.42Å; V118-M145 HydrophobicContact CB-CE 4.33Å; V118-M145 HydrophobicContact CB-SD 3.67Å; V118-M145 HydrophobicContact CG1-SD 3.91Å; V118-M145 HydrophobicContact CG2-CE 4.33Å; V118-M145 HydrophobicContact CG2-SD 4.32Å; V118-L146 PolarHBondContact O-N 3.45Å |
| 119 | I | 90.8 | Very high | 79.8 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 116.2 | -179.7 | -47 | -178.9 | 0 | 0 | 0 | 109.5 | L36 L40 T50 I51 L52 I53 L117 T121 L146 I148 | L36-I119 HydrophobicContact CD1-CD1 3.54Å; L36-I119 HydrophobicContact CD1-CG2 3.88Å; L40-I119 HydrophobicContact CD2-CD1 4.23Å; T50-I119 HydrophobicContact CG2-CD1 3.91Å; T50-I119 HydrophobicContact CG2-CG1 4.12Å; I51-I119 PolarHBondContact O-N 3.04Å; L52-I119 HydrophobicContact CD2-CB 4.08Å; L52-I119 HydrophobicContact CD2-CD1 4Å; L52-I119 HydrophobicContact CD2-CG1 4.46Å; L52-I119 HydrophobicContact CD2-CG2 4.48Å; I53-I119 PolarHBondContact N-O 3.11Å; L117-I119 HydrophobicContact CD1-CG1 4.42Å; L117-I119 HydrophobicContact CD2-CD1 3.71Å; L117-I119 HydrophobicContact CD2-CG1 3.77Å; L117-I119 HydrophobicContact CG-CD1 4.31Å; L117-I119 HydrophobicContact CG-CG1 3.8Å; I119-T121 HydrophobicContact CG2-CG2 4.1Å; I119-T121 PolarHBondContact O-N 3.12Å; I119-L146 CarbonylContact C-O 3.57Å; I119-L146 WeakPolarHBondContact CA-O 3.47Å; I119-L146 HydrophobicContact CD1-CD2 4.17Å; I119-L146 HydrophobicContact CG1-CB 4.27Å; I119-L146 HydrophobicContact CG1-CD2 4.16Å; I119-L146 HydrophobicContact CG2-CB 4.32Å; I119-L146 HydrophobicContact CG2-CD2 4.06Å; I119-L146 HydrophobicContact CG2-CG 4.16Å; I119-I148 HydrophobicContact CG2-CD1 4.07Å; I119-I148 HydrophobicContact CG2-CG1 4.36Å |
| 120 | H | 91 | Very high | 80 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 105.9 | 169.1 | -57 | -66.5 | 0 | 0 | 0 | 109.2 | L123 R132 L146 V147 I148 | H120-L123 HydrophobicContact CB-CD2 4.44Å; H120-R132 WeakPolarHBondContact ND1-CD 3.29Å; H120-R132 PolarHBondContact ND1-NH1 2.87Å; H120-L146 PolarHBondContact N-O 2.81Å; H120-V147 HydrophobicContact CB-CG2 4.34Å; H120-I148 PolarHBondContact O-N 3.04Å |
| 121 | T | 86.5 | Confident | 80.2 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 15% | 0.153 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -89.9 | -21.8 | -179.1 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | L36 L52 I53 C54 L63 I119 | L36-T121 HydrophobicContact CD2-CG2 3.87Å; L52-T121 HydrophobicContact CD2-CG2 4.05Å; I53-T121 PolarHBondContact O-N 2.87Å; I53-T121 PolarHBondContact O-OG1 3.27Å; I53-T121 VanDerWaalsContact O-OG1 3.12Å; C54-T121 PolarHBondContact SG-OG1 3.17Å; L63-T121 HydrophobicContact CD2-CG2 3.82Å; I119-T121 HydrophobicContact CG2-CG2 4.1Å; I119-T121 PolarHBondContact O-N 3.12Å |
| 122 | T | 83.9 | Confident | 81 | Confident | 47 Ų | 47 | 58.8 Ų | 58.8 | 29% | 0.288 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -136.3 | 138.4 | 166 | 51.8 | 0 | 0 | 0 | 0 | 110.5 | C54 Q55 E59 R132 | C54-T122 WeakPolarHBondContact CA-OG1 3.49Å; Q55-T122 PolarHBondContact N-OG1 3.02Å; E59-T122 WeakPolarHBondContact OE2-CB 3.34Å; E59-T122 WeakPolarHBondContact OE2-CG2 3.46Å; E59-T122 PolarHBondContact OE2-OG1 3.43Å; T122-R132 PolarHBondContact O-NH1 2.83Å; T122-R132 PolarHBondContact O-NH2 3.25Å |
| 123 | L | 80.9 | Confident | 81.7 | Confident | 75 Ų | 75 | 55.6 Ų | 55.6 | 39% | 0.393 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -97.3 | 127.4 | 179.2 | -75.5 | 176.5 | 0 | 0 | 0 | 110.9 | H120 F129 V147 T149 | H120-L123 HydrophobicContact CB-CD2 4.44Å; L123-F129 HydrophobicContact CD2-CD2 3.91Å; L123-F129 HydrophobicContact CD2-CE2 3.62Å; L123-F129 HydrophobicContact CD2-CZ 4.08Å; L123-V147 HydrophobicContact CD1-CG1 3.73Å; L123-V147 HydrophobicContact CD2-CG1 3.78Å; L123-V147 HydrophobicContact CG-CG1 3.93Å; L123-T149 HydrophobicContact CD1-CG2 4.2Å |
| 124 | P | 78.8 | Confident | 82 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 8% | 0.084 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -86.8 | 172.3 | 171.2 | 38.4 | -35.6 | 0 | 0 | 0 | 110.9 | Q55 K128 F129 | Q55-P124 HydrophobicContact CG-CB 4.28Å; Q55-P124 VanDerWaalsContact NE2-CB 3.34Å; P124-K128 HydrophobicContact CB-CB 3.88Å; P124-K128 HydrophobicContact CG-CB 4.09Å; P124-F129 HydrophobicContact CG-CB 4.01Å; P124-F129 HydrophobicContact CG-CD2 4.39Å |
| 125 | E | 77.9 | Confident | 82.4 | Confident | 127 Ų | 127 | 59.1 Ų | 59.1 | 59% | 0.593 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -51.1 | 146.1 | 170.5 | -59.8 | 159.3 | 136 | 0 | 0 | 111.8 | N127 K128 F129 | E125-N127 VanDerWaalsContact C-N 3.33Å; E125-N127 PolarHBondContact O-N 2.65Å; E125-N127 VanDerWaalsContact O-N 3.1Å; E125-K128 WeakPolarHBondContact O-CA 3.43Å; E125-K128 WeakPolarHBondContact O-CB 3.29Å; E125-K128 PolarHBondContact O-N 3.17Å; E125-K128 WeakPolarHBondContact OE2-CE 3.48Å; E125-K128 IonicContact OE2-NZ 3.3Å; E125-K128 PolarHBondContact OE2-NZ 3.22Å; E125-F129 PolarHBondContact O-N 2.94Å |
| 126 | L | 74.4 | Confident | 82.5 | Confident | 114 Ų | 114 | 59 Ų | 59 | 60% | 0.597 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -45.5 | -50.1 | -170.6 | -175.8 | 64.4 | 0 | 0 | 0 | 113.8 | K128 F129 E130 | L126-K128 VanDerWaalsContact C-N 3.27Å; L126-K128 PolarHBondContact O-N 3.19Å; L126-F129 CarbonylContact O-C 3.52Å; L126-F129 WeakPolarHBondContact O-CA 3.39Å; L126-F129 WeakPolarHBondContact O-CB 3.39Å; L126-F129 PolarHBondContact O-N 3.37Å; L126-E130 PolarHBondContact O-N 3.01Å |
| 127 | N | 73.8 | Confident | 82.1 | Confident | 129 Ų | 129 | 59.1 Ų | 59.1 | 69% | 0.69 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -58.6 | -36.1 | -179.3 | -56.2 | -0.8 | 0 | 0 | 0 | 113 | E125 E131 | E125-N127 VanDerWaalsContact C-N 3.33Å; E125-N127 PolarHBondContact O-N 2.65Å; E125-N127 VanDerWaalsContact O-N 3.1Å; N127-E131 PolarHBondContact O-N 2.82Å |
| 128 | K | 76.9 | Confident | 81.4 | Confident | 97 Ų | 97 | 63 Ų | 63 | 42% | 0.422 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -79.7 | -29.3 | 176.1 | -70.7 | 169.7 | -177.9 | 154.9 | 0 | 111.6 | P124 E125 L126 E131 R132 | P124-K128 HydrophobicContact CB-CB 3.88Å; P124-K128 HydrophobicContact CG-CB 4.09Å; E125-K128 WeakPolarHBondContact O-CA 3.43Å; E125-K128 WeakPolarHBondContact O-CB 3.29Å; E125-K128 PolarHBondContact O-N 3.17Å; E125-K128 WeakPolarHBondContact OE2-CE 3.48Å; E125-K128 IonicContact OE2-NZ 3.3Å; E125-K128 PolarHBondContact OE2-NZ 3.22Å; L126-K128 VanDerWaalsContact C-N 3.27Å; L126-K128 PolarHBondContact O-N 3.19Å; K128-E131 PolarHBondContact O-N 3.49Å; K128-R132 WeakPolarHBondContact O-CB 3.47Å; K128-R132 PolarHBondContact O-N 3.07Å |
| 129 | F | 82.7 | Confident | 80.4 | Confident | 21 Ų | 21 | 63.2 Ų | 63.2 | 9% | 0.092 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.4 | -41.1 | 172.5 | -170.9 | -117.9 | 0 | 0 | 0 | 110.9 | F21 L123 P124 E125 L126 R132 L133 | F21-F129 HydrophobicContact CE1-CZ 4.4Å; L123-F129 HydrophobicContact CD2-CD2 3.91Å; L123-F129 HydrophobicContact CD2-CE2 3.62Å; L123-F129 HydrophobicContact CD2-CZ 4.08Å; P124-F129 HydrophobicContact CG-CB 4.01Å; P124-F129 HydrophobicContact CG-CD2 4.39Å; E125-F129 PolarHBondContact O-N 2.94Å; L126-F129 CarbonylContact O-C 3.52Å; L126-F129 WeakPolarHBondContact O-CA 3.39Å; L126-F129 WeakPolarHBondContact O-CB 3.39Å; L126-F129 PolarHBondContact O-N 3.37Å; F129-R132 WeakPolarHBondContact O-CB 3.33Å; F129-R132 PolarHBondContact O-N 2.86Å; F129-L133 HydrophobicContact CD1-CD1 4.05Å; F129-L133 HydrophobicContact CD1-CG 4.46Å; F129-L133 HydrophobicContact CE1-CD1 3.7Å; F129-L133 HydrophobicContact CE1-CG 4.22Å; F129-L133 HydrophobicContact CE2-CD2 4.45Å; F129-L133 HydrophobicContact CZ-CD1 4.13Å; F129-L133 HydrophobicContact CZ-CD2 4.17Å; F129-L133 HydrophobicContact CZ-CG 4.24Å; F129-L133 VanDerWaalsContact O-CG 3.32Å; F129-L133 WeakPolarHBondContact O-CG 3.42Å; F129-L133 PolarHBondContact O-N 3.05Å |
| 130 | E | 79.9 | Confident | 79.3 | Confident | 115 Ų | 115 | 63.3 Ų | 63.3 | 54% | 0.537 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 171.4 | -70.6 | 179.2 | -178.5 | 0 | 0 | 112.2 | L126 L133 K134 | L126-E130 PolarHBondContact O-N 3.01Å; E130-L133 PolarHBondContact O-N 3.27Å; E130-K134 WeakPolarHBondContact O-CB 3.32Å; E130-K134 PolarHBondContact O-N 2.46Å |
| 131 | E | 79.6 | Confident | 78 | Confident | 115 Ų | 115 | 72 Ų | 72 | 54% | 0.537 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 173.1 | -175.7 | 170.3 | -152 | 0 | 0 | 112.1 | N127 K128 L133 K134 W135 | N127-E131 PolarHBondContact O-N 2.82Å; K128-E131 PolarHBondContact O-N 3.49Å; E131-L133 PolarHBondContact O-N 3.19Å; E131-K134 WeakPolarHBondContact O-CB 3.42Å; E131-K134 PolarHBondContact O-N 3.44Å; E131-W135 VanDerWaalsContact O-CD1 3.22Å; E131-W135 PolarHBondContact O-N 3.2Å |
| 132 | R | 88.1 | Confident | 77 | Confident | 1 Ų | 1 | 78.9 Ų | 78.9 | 0% | 0.004 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -57.1 | -46.9 | 173.5 | 173.5 | -169.9 | -68.8 | -173.2 | -4.7 | 111.6 | D104 L107 H120 T122 K128 F129 K134 W135 L136 | D104-R132 IonicContact OD1-CZ 3.67Å; D104-R132 IonicContact OD1-NE 3.67Å; D104-R132 PolarHBondContact OD1-NE 3.38Å; D104-R132 IonicContact OD1-NH2 2.71Å; D104-R132 PolarHBondContact OD1-NH2 2.91Å; D104-R132 IonicContact OD2-CZ 3.05Å; D104-R132 IonicContact OD2-NE 3.23Å; D104-R132 IonicContact OD2-NH2 3.85Å; D104-R132 PolarHBondContact OD2-NH2 2.85Å; L107-R132 HydrophobicContact CD1-CB 3.94Å; L107-R132 HydrophobicContact CD1-CG 3.78Å; H120-R132 WeakPolarHBondContact ND1-CD 3.29Å; H120-R132 PolarHBondContact ND1-NH1 2.87Å; T122-R132 PolarHBondContact O-NH1 2.83Å; T122-R132 PolarHBondContact O-NH2 3.25Å; K128-R132 WeakPolarHBondContact O-CB 3.47Å; K128-R132 PolarHBondContact O-N 3.07Å; F129-R132 WeakPolarHBondContact O-CB 3.33Å; F129-R132 PolarHBondContact O-N 2.86Å; R132-K134 VanDerWaalsContact C-N 3.35Å; R132-W135 PolarHBondContact O-N 2.86Å; R132-L136 HydrophobicContact CG-CD1 3.89Å; R132-L136 WeakPolarHBondContact O-CG 2.57Å; R132-L136 PolarHBondContact O-N 2.68Å |
| 133 | L | 83.6 | Confident | 76.7 | Confident | 47 Ų | 47 | 77 Ų | 77 | 25% | 0.246 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.6 | -36.4 | 177.9 | -69.4 | -177.5 | 0 | 0 | 0 | 112.5 | F21 F129 E130 E131 L136 S137 | F21-L133 HydrophobicContact CE1-CD1 4.4Å; F21-L133 HydrophobicContact CE1-CD2 3.71Å; F21-L133 HydrophobicContact CZ-CD1 3.95Å; F21-L133 HydrophobicContact CZ-CD2 3.7Å; F21-L133 HydrophobicContact CZ-CG 4.5Å; F129-L133 HydrophobicContact CD1-CD1 4.05Å; F129-L133 HydrophobicContact CD1-CG 4.46Å; F129-L133 HydrophobicContact CE1-CD1 3.7Å; F129-L133 HydrophobicContact CE1-CG 4.22Å; F129-L133 HydrophobicContact CE2-CD2 4.45Å; F129-L133 HydrophobicContact CZ-CD1 4.13Å; F129-L133 HydrophobicContact CZ-CD2 4.17Å; F129-L133 HydrophobicContact CZ-CG 4.24Å; F129-L133 VanDerWaalsContact O-CG 3.32Å; F129-L133 WeakPolarHBondContact O-CG 3.42Å; F129-L133 PolarHBondContact O-N 3.05Å; E130-L133 PolarHBondContact O-N 3.27Å; E131-L133 PolarHBondContact O-N 3.19Å; L133-L136 PolarHBondContact O-N 3.06Å; L133-S137 WeakPolarHBondContact O-CB 3.35Å; L133-S137 PolarHBondContact O-N 3.33Å |
| 134 | K | 81.1 | Confident | 76.8 | Confident | 146 Ų | 146 | 76.2 Ų | 76.2 | 64% | 0.635 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60.3 | -47.5 | 174.3 | -175.6 | -178.8 | 179.5 | -177.4 | 0 | 111.1 | E130 E131 R132 S137 I138 | E130-K134 WeakPolarHBondContact O-CB 3.32Å; E130-K134 PolarHBondContact O-N 2.46Å; E131-K134 WeakPolarHBondContact O-CB 3.42Å; E131-K134 PolarHBondContact O-N 3.44Å; R132-K134 VanDerWaalsContact C-N 3.35Å; K134-S137 PolarHBondContact O-N 3.33Å; K134-S137 PolarHBondContact O-OG 3.09Å; K134-I138 PolarHBondContact O-N 3.31Å |
| 135 | W | 81.8 | Confident | 77.2 | Confident | 91 Ų | 91 | 76 Ų | 76 | 35% | 0.345 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 173.9 | -75.7 | 109.4 | 0 | 0 | 0 | 112.1 | L107 E108 E131 R132 S137 I138 S139 | L107-W135 HydrophobicContact CB-CB 3.95Å; L107-W135 HydrophobicContact CB-CG 4.05Å; E108-W135 HydrophobicContact CB-CH2 3.95Å; E108-W135 HydrophobicContact CB-CZ2 4.11Å; E108-W135 HydrophobicContact CB-CZ3 4.26Å; E131-W135 VanDerWaalsContact O-CD1 3.22Å; E131-W135 PolarHBondContact O-N 3.2Å; R132-W135 PolarHBondContact O-N 2.86Å; W135-S137 VanDerWaalsContact C-N 3.31Å; W135-S137 PolarHBondContact O-N 2.81Å; W135-I138 WeakPolarHBondContact O-CB 3.33Å; W135-I138 PolarHBondContact O-N 2.89Å; W135-I138 VanDerWaalsContact O-N 3.07Å; W135-S139 WeakPolarHBondContact O-CB 3.36Å; W135-S139 PolarHBondContact O-N 3.41Å; W135-S139 PolarHBondContact O-OG 3.37Å |
| 136 | L | 81.6 | Confident | 77.6 | Confident | 2 Ų | 2 | 70.6 Ų | 70.6 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.1 | -31 | 179.2 | -67.3 | 165 | 0 | 0 | 0 | 113.6 | I53 L107 V118 R132 L133 I138 S139 A140 M145 | I53-L136 HydrophobicContact CD1-CD1 3.68Å; I53-L136 HydrophobicContact CD1-CD2 3.76Å; I53-L136 HydrophobicContact CD1-CG 4.27Å; L107-L136 HydrophobicContact CD2-CD2 4.32Å; V118-L136 HydrophobicContact CG1-CD1 4.14Å; V118-L136 HydrophobicContact CG1-CD2 4.37Å; V118-L136 HydrophobicContact CG2-CD2 4.47Å; R132-L136 HydrophobicContact CG-CD1 3.89Å; R132-L136 WeakPolarHBondContact O-CG 2.57Å; R132-L136 PolarHBondContact O-N 2.68Å; L133-L136 PolarHBondContact O-N 3.06Å; L136-I138 PolarHBondContact O-N 3.12Å; L136-S139 PolarHBondContact O-N 2.96Å; L136-A140 HydrophobicContact CD2-CB 4.2Å; L136-A140 CarbonylContact O-C 3.55Å; L136-A140 WeakPolarHBondContact O-CA 3.47Å; L136-A140 PolarHBondContact O-N 2.95Å; L136-M145 HydrophobicContact CB-CE 4.42Å |
| 137 | S | 75.1 | Confident | 78.2 | Confident | 76 Ų | 76 | 65.1 Ų | 65.1 | 53% | 0.531 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.6 | -26.6 | 174 | 77.6 | 0 | 0 | 0 | 0 | 113.2 | L133 K134 W135 | L133-S137 WeakPolarHBondContact O-CB 3.35Å; L133-S137 PolarHBondContact O-N 3.33Å; K134-S137 PolarHBondContact O-N 3.33Å; K134-S137 PolarHBondContact O-OG 3.09Å; W135-S137 VanDerWaalsContact C-N 3.31Å; W135-S137 PolarHBondContact O-N 2.81Å |
| 138 | I | 72.1 | Confident | 78.8 | Confident | 83 Ų | 83 | 59.4 Ų | 59.4 | 43% | 0.426 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -83.8 | -44.7 | 173 | -59.7 | 166.3 | 0 | 0 | 0 | 109.6 | K134 W135 L136 | K134-I138 PolarHBondContact O-N 3.31Å; W135-I138 WeakPolarHBondContact O-CB 3.33Å; W135-I138 PolarHBondContact O-N 2.89Å; W135-I138 VanDerWaalsContact O-N 3.07Å; L136-I138 PolarHBondContact O-N 3.12Å |
| 139 | S | 68.4 | Low | 78.8 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -94 | -23.1 | -164 | -66 | 0 | 0 | 0 | 0 | 116.8 | G111 V113 W135 L136 | G111-S139 VanDerWaalsContact O-CA 3.23Å; G111-S139 WeakPolarHBondContact O-CA 3.15Å; G111-S139 WeakPolarHBondContact O-CB 3.5Å; G111-S139 PolarHBondContact O-OG 3.32Å; V113-S139 CarbonylContact C-O 3.51Å; V113-S139 VanDerWaalsContact CG2-O 3.22Å; V113-S139 WeakPolarHBondContact CG2-O 3.16Å; V113-S139 PolarHBondContact N-O 3.44Å; W135-S139 WeakPolarHBondContact O-CB 3.36Å; W135-S139 PolarHBondContact O-N 3.41Å; W135-S139 PolarHBondContact O-OG 3.37Å; L136-S139 PolarHBondContact O-N 2.96Å |
| 140 | A | 66.5 | Low | 77.8 | Confident | 3 Ų | 3 | 59 Ų | 59 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -142.8 | 64.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111 | A115 V118 L136 | A115-A140 HydrophobicContact CB-CB 4.31Å; V118-A140 HydrophobicContact CG2-CB 4.18Å; L136-A140 HydrophobicContact CD2-CB 4.2Å; L136-A140 CarbonylContact O-C 3.55Å; L136-A140 WeakPolarHBondContact O-CA 3.47Å; L136-A140 PolarHBondContact O-N 2.95Å |
| 141 | R | 64.2 | Low | 76.4 | Confident | 182 Ų | 182 | 56.4 Ų | 56.4 | 69% | 0.687 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 137.1 | -176.1 | -67.6 | -175.4 | 176.6 | -169.2 | -0.9 | 111.7 | A143 | R141-A143 PolarHBondContact O-N 3.01Š|
| 142 | N | 66.4 | Low | 74.7 | Confident | 169 Ų | 169 | 55.9 Ų | 55.9 | 90% | 0.904 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 14.9 | 175.2 | -52.7 | -14.6 | 0 | 0 | 0 | 116.1 | ||
| 143 | A | 77.4 | Confident | 72.4 | Confident | 7 Ų | 7 | 62.8 Ų | 62.8 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 143.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | A115 V118 R141 M145 | A115-A143 WeakPolarHBondContact O-CA 3.18Å; A115-A143 VanDerWaalsContact O-CB 3.28Å; A115-A143 WeakPolarHBondContact O-CB 3.38Å; V118-A143 HydrophobicContact CG2-CB 3.82Å; R141-A143 PolarHBondContact O-N 3.01Å; A143-M145 HydrophobicContact CB-CE 4.34Å |
| 144 | E | 82.7 | Confident | 70.1 | Confident | 59 Ų | 59 | 69.1 Ų | 69.1 | 28% | 0.276 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 135.6 | 162.6 | -176.9 | 172.5 | -147.5 | 0 | 0 | 108.9 | K13 R43 N116 L117 V118 | K13-E144 IonicContact NZ-OE1 2.65Å; K13-E144 PolarHBondContact NZ-OE1 3.44Å; R43-E144 IonicContact CZ-OE2 2.59Å; R43-E144 IonicContact NH2-OE2 2.73Å; R43-E144 PolarHBondContact NH2-OE2 3.28Å; N116-E144 PolarHBondContact O-N 3.4Å; L117-E144 WeakPolarHBondContact CA-O 3.4Å; L117-E144 HydrophobicContact CD1-CB 4.03Å; L117-E144 HydrophobicContact CD1-CG 4.17Å; V118-E144 PolarHBondContact N-O 3.42Å |
| 145 | M | 86.5 | Confident | 67.7 | Low | 9 Ų | 9 | 68.2 Ų | 68.2 | 4% | 0.044 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 123.2 | 176.5 | -61.2 | -73.6 | 166.8 | 0 | 0 | 109.4 | T19 T20 F21 T22 V118 L136 A143 | T19-M145 HydrophobicContact CG2-CB 4.39Å; T19-M145 HydrophobicContact CG2-CE 4.29Å; T19-M145 HydrophobicContact CG2-CG 3.44Å; T19-M145 VanDerWaalsContact CG2-CG 3.44Å; T20-M145 PolarHBondContact O-N 2.94Å; F21-M145 CarbonylContact C-O 3.6Å; F21-M145 WeakPolarHBondContact CA-O 3.38Å; F21-M145 HydrophobicContact CD1-CB 3.37Å; F21-M145 HydrophobicContact CD1-CG 3.94Å; F21-M145 HydrophobicContact CE1-CB 3.58Å; F21-M145 HydrophobicContact CE1-CG 3.6Å; F21-M145 HydrophobicContact CE1-SD 4.33Å; F21-M145 HydrophobicContact CG-CB 4.02Å; F21-M145 HydrophobicContact CZ-CB 4.39Å; F21-M145 HydrophobicContact CZ-CG 4.06Å; T22-M145 PolarHBondContact N-O 3.1Å; V118-M145 HydrophobicContact CB-CE 4.33Å; V118-M145 HydrophobicContact CB-SD 3.67Å; V118-M145 HydrophobicContact CG1-SD 3.91Å; V118-M145 HydrophobicContact CG2-CE 4.33Å; V118-M145 HydrophobicContact CG2-SD 4.32Å; L136-M145 HydrophobicContact CB-CE 4.42Å; A143-M145 HydrophobicContact CB-CE 4.34Å |
| 146 | L | 87.4 | Confident | 65.4 | Low | 13 Ų | 13 | 72.1 Ų | 72.1 | 7% | 0.068 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 129.3 | 171.8 | 177.9 | 62.9 | 0 | 0 | 0 | 108.9 | T22 A24 F35 T39 L117 V118 I119 H120 | T22-L146 HydrophobicContact CG2-CD1 4.14Å; T22-L146 CarbonylContact O-C 3.56Å; T22-L146 WeakPolarHBondContact O-CA 3.49Å; A24-L146 HydrophobicContact CB-CD1 4.16Å; F35-L146 HydrophobicContact CE1-CD2 4.31Å; T39-L146 HydrophobicContact CG2-CD2 4.25Å; L117-L146 HydrophobicContact CD1-CB 4.1Å; V118-L146 PolarHBondContact O-N 3.45Å; I119-L146 CarbonylContact C-O 3.57Å; I119-L146 WeakPolarHBondContact CA-O 3.47Å; I119-L146 HydrophobicContact CD1-CD2 4.17Å; I119-L146 HydrophobicContact CG1-CB 4.27Å; I119-L146 HydrophobicContact CG1-CD2 4.16Å; I119-L146 HydrophobicContact CG2-CB 4.32Å; I119-L146 HydrophobicContact CG2-CD2 4.06Å; I119-L146 HydrophobicContact CG2-CG 4.16Å; H120-L146 PolarHBondContact N-O 2.81Å |
| 147 | V | 87.4 | Confident | 63.1 | Low | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 124.3 | 177.1 | 178.4 | 0 | 0 | 0 | 0 | 108.4 | F21 T22 Y23 A24 H120 L123 T149 | F21-V147 HydrophobicContact CD1-CG2 4.21Å; T22-V147 PolarHBondContact O-N 3Å; Y23-V147 HydrophobicContact CD1-CB 3.66Å; Y23-V147 HydrophobicContact CD1-CG1 3.62Å; Y23-V147 HydrophobicContact CD1-CG2 4.24Å; Y23-V147 HydrophobicContact CE1-CB 3.8Å; Y23-V147 HydrophobicContact CE1-CG1 3.63Å; Y23-V147 HydrophobicContact CE1-CG2 3.91Å; Y23-V147 HydrophobicContact CG-CB 4.22Å; A24-V147 PolarHBondContact N-O 3.15Å; H120-V147 HydrophobicContact CB-CG2 4.34Å; L123-V147 HydrophobicContact CD1-CG1 3.73Å; L123-V147 HydrophobicContact CD2-CG1 3.78Å; L123-V147 HydrophobicContact CG-CG1 3.93Å; V147-T149 HydrophobicContact CG1-CG2 4.28Å |
| 148 | I | 86.1 | Confident | 61.1 | Low | 8 Ų | 8 | 87 Ų | 87 | 4% | 0.041 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 114.5 | 174 | -61.9 | 178.7 | 0 | 0 | 0 | 108.4 | P26 F35 L36 I119 H120 | P26-I148 HydrophobicContact CG-CG2 4.03Å; F35-I148 HydrophobicContact CD1-CD1 4.16Å; F35-I148 HydrophobicContact CE1-CD1 4.4Å; F35-I148 HydrophobicContact CE1-CG1 4.46Å; L36-I148 HydrophobicContact CB-CD1 4.21Å; L36-I148 HydrophobicContact CD1-CD1 3.99Å; I119-I148 HydrophobicContact CG2-CD1 4.07Å; I119-I148 HydrophobicContact CG2-CG1 4.36Å; H120-I148 PolarHBondContact O-N 3.04Å |
| 149 | T | 76.8 | Confident | 59 | Low | 36 Ų | 36 | 85.8 Ų | 85.8 | 22% | 0.221 | 44% | 0.437 | C | S | . | . | trans | -98.2 | 120.6 | 172 | 58.9 | 0 | 0 | 0 | 0 | 108.8 | Y23 A24 S25 P26 L123 V147 | Y23-T149 HydrophobicContact CD1-CG2 4.3Å; A24-T149 PolarHBondContact O-N 3.14Å; A24-T149 PolarHBondContact O-OG1 3.18Å; S25-T149 WeakPolarHBondContact CB-OG1 3.29Å; S25-T149 PolarHBondContact OG-OG1 3.24Å; P26-T149 WeakPolarHBondContact CD-O 2.99Å; L123-T149 HydrophobicContact CD1-CG2 4.2Å; V147-T149 HydrophobicContact CG1-CG2 4.28Å | ||
| 150 | P | 60.2 | Low | 57.2 | Low | 74 Ų | 74 | 96.3 Ų | 96.3 | 48% | 0.481 | 48% | 0.482 | S | S | . | . | trans | -65.1 | 143.4 | 169.8 | 29.1 | -33.6 | 0 | 0 | 0 | 110.4 | ||||
| 151 | C | 51.3 | Low | 55.3 | Low | 61 Ų | 61 | 99.4 Ų | 99.4 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | trans | -83 | 109.3 | 160.9 | -83.3 | 0 | 0 | 0 | 0 | 109.3 | P26 E153 | P26-C151 PolarHBondContact O-N 3Å; C151-E153 PolarHBondContact O-N 3.17Å | ||
| 152 | D | 44.1 | Very low | 53.7 | Low | 104 Ų | 104 | 99.9 Ų | 99.9 | 56% | 0.556 | 52% | 0.524 | S | S | * | . | trans | -87.3 | 84.7 | 174.7 | -61.9 | -32.2 | 0 | 0 | 0 | 110 | E154 N155 | D152-E154 PolarHBondContact O-N 3.2Å; D152-N155 PolarHBondContact O-N 3.42Å; D152-N155 VanDerWaalsContact O-N 3.14Å | ||
| 153 | E | 39.1 | Very low | 51.8 | Low | 145 Ų | 145 | 98.6 Ų | 98.6 | 68% | 0.678 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -5.1 | 178.5 | -67.7 | -170 | 165.8 | 0 | 0 | 114.2 | C151 | C151-E153 PolarHBondContact O-N 3.17Š|
| 154 | E | 35 | Very low | 49.6 | Very low | 180 Ų | 180 | 107.2 Ų | 107.2 | 84% | 0.841 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -24 | 173.6 | -60.9 | -166.5 | 143.1 | 0 | 0 | 112.9 | D152 | D152-E154 PolarHBondContact O-N 3.2Š|
| 155 | N | 32.1 | Very low | 46.9 | Very low | 128 Ų | 128 | 110.2 Ų | 110.2 | 68% | 0.684 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -82.7 | -15.1 | -177.1 | -74.6 | -56.1 | 0 | 0 | 0 | 114.9 | D152 K157 | D152-N155 PolarHBondContact O-N 3.42Å; D152-N155 VanDerWaalsContact O-N 3.14Å; N155-K157 VanDerWaalsContact C-N 3.33Å; N155-K157 PolarHBondContact O-N 2.65Å |
| 156 | E | 33.8 | Very low | 43.8 | Very low | 172 Ų | 172 | 119 Ų | 119 | 80% | 0.804 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -85.4 | 2.3 | -178.3 | -68.3 | -162.7 | 154.7 | 0 | 0 | 114.4 | ||
| 157 | K | 32.8 | Very low | 40.8 | Very low | 189 Ų | 189 | 126 Ų | 126 | 82% | 0.822 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -95.6 | -11.1 | -178.3 | -73.5 | 178.3 | -176.9 | 164.3 | 0 | 115.4 | N155 | N155-K157 VanDerWaalsContact C-N 3.33Å; N155-K157 PolarHBondContact O-N 2.65Å |
| 158 | E | 32.4 | Very low | 37.7 | Very low | 201 Ų | 201 | 131.1 Ų | 131.1 | 94% | 0.939 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -104.9 | 53.7 | 169 | -64.7 | -160 | 145.3 | 0 | 0 | 111.4 | ||
| 159 | G | 28.9 | Very low | 34.7 | Very low | 59 Ų | 59 | 138.3 Ų | 138.3 | 61% | 0.608 | 73% | 0.727 | S | S | * | * | trans | -150.6 | 9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | G161 | G159-G161 VanDerWaalsContact C-N 3.33Å; G159-G161 PolarHBondContact O-N 3.23Å | ||
| 160 | K | 29.1 | Very low | 32.1 | Very low | 224 Ų | 224 | 142.4 Ų | 142.4 | 97% | 0.974 | 74% | 0.744 | S | S | * | * | trans | -80.3 | 77.4 | 177.2 | -79.1 | -158.3 | 171.6 | -166 | 0 | 113 | ||||
| 161 | G | 26.6 | Very low | 30.2 | Very low | 67 Ų | 67 | 149.2 Ų | 149.2 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | trans | -118.9 | 120.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | G159 | G159-G161 VanDerWaalsContact C-N 3.33Å; G159-G161 PolarHBondContact O-N 3.23Å | ||
| 162 | E | 31.8 | Very low | 28.8 | Very low | 192 Ų | 192 | 154.3 Ų | 154.3 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | trans | -79.4 | 128.6 | -175 | -61.5 | 174.7 | 145.8 | 0 | 0 | 112.5 | ||||
| 163 | T | 25.5 | Very low | 28.2 | Very low | 143 Ų | 143 | 154.5 Ų | 154.5 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | -167.7 | 139.8 | 136.6 | 4.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 164 | E | 31.5 | Very low | 27.3 | Very low | 187 Ų | 187 | 155.7 Ų | 155.7 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 144.2 | 171.8 | -59.9 | 175.7 | 118.9 | 0 | 0 | 110.9 | ||
| 165 | P | 26.5 | Very low | 26.6 | Very low | 123 Ų | 123 | 156.5 Ų | 156.5 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 118.9 | 161 | 32.7 | -26.9 | 0 | 0 | 0 | 110.9 | ||
| 166 | E | 22 | Very low | 26.3 | Very low | 194 Ų | 194 | 156.2 Ų | 156.2 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 167.1 | 170 | -70.1 | -172.4 | 112 | 0 | 0 | 112.7 | ||
| 167 | I | 23.6 | Very low | 25.8 | Very low | 159 Ų | 159 | 155.1 Ų | 155.1 | 82% | 0.815 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 154.4 | -176.9 | -38.4 | 174 | 0 | 0 | 0 | 110.3 | ||
| 168 | V | 22.3 | Very low | 25.5 | Very low | 107 Ų | 107 | 150 Ų | 150 | 65% | 0.648 | 79% | 0.792 | S | S | * | * | trans | 107.1 | 132.3 | 148.9 | -176.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 169 | Q | 22.5 | Very low | 25 | Very low | 159 Ų | 159 | 148.5 Ų | 148.5 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | 72.3 | 133.6 | 158 | -79.8 | 168.8 | 63.6 | 0 | 0 | 119.4 | ||||
| 170 | Q | 22.8 | Very low | 24.8 | Very low | 123 Ų | 123 | 152.8 Ų | 152.8 | 58% | 0.575 | 80% | 0.799 | S | S | * | * | cis | -177.4 | 166.2 | 10.8 | -132.8 | 174.5 | 54 | 0 | 0 | 111 | ||||
| 171 | R | 21 | Very low | 24.6 | Very low | 217 Ų | 217 | 147.3 Ų | 147.3 | 82% | 0.819 | 79% | 0.789 | S | S | * | * | trans | 69.6 | 100.9 | 147.8 | -79.7 | 170.4 | 178.2 | 158.3 | -1 | 121.9 | ||||
| 172 | M | 22.5 | Very low | 24.4 | Very low | 167 Ų | 167 | 151.5 Ų | 151.5 | 82% | 0.823 | 79% | 0.793 | S | S | * | * | -40.6 | 158.4 | 127.8 | -75.7 | -175.7 | 78.6 | 0 | 0 | 112.8 | |||||
| 173 | P | 30.1 | Very low | 24 | Very low | 109 Ų | 109 | 149.9 Ų | 149.9 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | cis | -146 | 177.2 | 34.1 | 43.8 | -25.9 | 0 | 0 | 0 | 117.9 | ||||
| 174 | L | 21.3 | Very low | 23.8 | Very low | 169 Ų | 169 | 150.5 Ų | 150.5 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | -153.7 | 164.9 | 123.3 | -108.3 | 166 | 0 | 0 | 0 | 110 | |||||
| 175 | K | 20.5 | Very low | 23.4 | Very low | 198 Ų | 198 | 151.2 Ų | 151.2 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | -113.6 | 156.4 | -166.5 | -109.4 | -168.3 | 176.5 | -167.9 | 0 | 113.7 | ||||
| 176 | V | 24.6 | Very low | 23.3 | Very low | 121 Ų | 121 | 152.5 Ų | 152.5 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | -64.8 | 147.4 | 164.3 | -176.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 177 | D | 23.8 | Very low | 23.5 | Very low | 150 Ų | 150 | 150 Ų | 150 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | trans | 166.6 | 146.2 | 136.9 | -84.6 | -21.7 | 0 | 0 | 0 | 110.7 | ||||
| 178 | A | 25.4 | Very low | 23.5 | Very low | 80 Ų | 80 | 150.8 Ų | 150.8 | 66% | 0.661 | 76% | 0.762 | S | S | * | * | cis | -167.2 | -179.1 | -12.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 179 | L | 22.9 | Very low | 23.7 | Very low | 170 Ų | 170 | 154 Ų | 154 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | trans | 101.8 | 125.5 | 147.8 | -123.7 | 75.7 | 0 | 0 | 0 | 120.6 | ||||
| 180 | N | 24.1 | Very low | 23.8 | Very low | 150 Ų | 150 | 154.1 Ų | 154.1 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -84.9 | 164.1 | 167.5 | -54.5 | -66.1 | 0 | 0 | 0 | 110.9 | ||||
| 181 | S | 25.5 | Very low | 23.9 | Very low | 109 Ų | 109 | 154.2 Ų | 154.2 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | -179.9 | 137.6 | 114.9 | 40 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 182 | M | 22.2 | Very low | 24.8 | Very low | 155 Ų | 155 | 149.3 Ų | 149.3 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | 68 | 144.7 | 140.3 | -76.7 | 179 | 59.9 | 0 | 0 | 124.8 | ||||
| 183 | Q | 22.8 | Very low | 25.9 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | 90.4 | 121.7 | 146.8 | -85.5 | 170.9 | -14.9 | 0 | 0 | 121.6 | ||||
| 184 | L | 22.7 | Very low | 25.7 | Very low | 156 Ų | 156 | 147.4 Ų | 147.4 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | trans | -67.3 | 162.5 | 151.4 | -64.4 | 68.6 | 0 | 0 | 0 | 109.3 | ||||
| 185 | Y | 23.4 | Very low | 26 | Very low | 202 Ų | 202 | 144.1 Ų | 144.1 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | -156.9 | 166.8 | 116.3 | -113.9 | -75.8 | 0 | 0 | 0 | 112 | |||||
| 186 | E | 23.5 | Very low | 26.3 | Very low | 151 Ų | 151 | 139 Ų | 139 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -77.1 | -178.2 | -169.2 | -47.8 | 149.4 | 135.4 | 0 | 0 | 113.4 | ||||
| 187 | I | 25.7 | Very low | 26.5 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 73% | 0.728 | 76% | 0.763 | S | S | * | * | -169.8 | 122.6 | 113.2 | -101.1 | 163.4 | 0 | 0 | 0 | 114.8 | |||||
| 188 | K | 24.5 | Very low | 26.6 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | trans | 59.2 | 125.6 | 146.6 | -63.5 | 175.9 | -171 | 172 | 0 | 123.2 | ||||
| 189 | E | 26.1 | Very low | 26.7 | Very low | 176 Ų | 176 | 144.4 Ų | 144.4 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | -77.6 | 164.1 | 135.3 | -67.8 | -172.5 | 115.2 | 0 | 0 | 111.8 | ||||
| 190 | N | 24.1 | Very low | 26.8 | Very low | 161 Ų | 161 | 144.7 Ų | 144.7 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | trans | -156.7 | 138.2 | 150.1 | -109.3 | -12.2 | 0 | 0 | 0 | 110.1 | ||||
| 191 | T | 25.2 | Very low | 27 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 77% | 0.767 | 74% | 0.738 | S | S | * | * | trans | -112 | -171.5 | -173.7 | 5.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 192 | P | 39.4 | Very low | 27.2 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | cis | -128.8 | -129.1 | -24.4 | 38 | -16.6 | 0 | 0 | 0 | 109.2 | ||||
| 193 | P | 47 | Very low | 27.5 | Very low | 104 Ų | 104 | 141 Ų | 141 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | cis | -128.8 | 164.9 | -40.8 | 36.6 | -21.3 | 0 | 0 | 0 | 115.4 | ||||
| 194 | T | 25.4 | Very low | 27.7 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | trans | -173.4 | 114.1 | 137.2 | 14.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 195 | S | 26.9 | Very low | 27.9 | Very low | 101 Ų | 101 | 139.1 Ų | 139.1 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | 57.7 | 130.6 | 94.6 | 71.8 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 196 | S | 26.7 | Very low | 28 | Very low | 90 Ų | 90 | 136.5 Ų | 136.5 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | cis | -169.3 | 157.2 | -0.9 | 43.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 197 | E | 28.4 | Very low | 28.2 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | trans | 47.3 | 141.4 | 143.3 | -68.4 | 153.1 | 166.4 | 0 | 0 | 119.7 | ||||
| 198 | D | 26.5 | Very low | 28.1 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 57% | 0.572 | 75% | 0.746 | S | S | * | * | cis | -162.7 | 170.1 | 37.4 | -137 | -12.9 | 0 | 0 | 0 | 114.8 | ||||
| 199 | Y | 27 | Very low | 28.2 | Very low | 183 Ų | 183 | 131.6 Ų | 131.6 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | trans | 21.2 | 147 | 152.3 | -61.9 | -29.6 | 0 | 0 | 0 | 124 | ||||
| 200 | K | 26.1 | Very low | 28.1 | Very low | 177 Ų | 177 | 128 Ų | 128 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | cis | -172.5 | 172.8 | -18.6 | -137.9 | 177 | -175.2 | 175.8 | 0 | 110 | ||||
| 201 | A | 28.1 | Very low | 28.2 | Very low | 68 Ų | 68 | 126.9 Ų | 126.9 | 56% | 0.562 | 75% | 0.748 | S | S | * | * | trans | 8 | 148.4 | 140.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 202 | E | 29 | Very low | 28.8 | Very low | 181 Ų | 181 | 126.6 Ų | 126.6 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | cis | -169.1 | 151.7 | 1 | -117.6 | 155.6 | -174.1 | 0 | 0 | 112.2 | ||||
| 203 | A | 28.3 | Very low | 27.9 | Very low | 87 Ų | 87 | 125.3 Ų | 125.3 | 72% | 0.719 | 75% | 0.747 | S | S | * | * | trans | 63 | 170 | 137.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 204 | D | 28.3 | Very low | 26.8 | Very low | 147 Ų | 147 | 126.7 Ų | 126.7 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | cis | -152.2 | 177.4 | 7.8 | -153.8 | 4.1 | 0 | 0 | 0 | 114.9 | ||||
| 205 | V | 26.5 | Very low | 26.7 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | 90.8 | 121.2 | 165 | -163.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 206 | L | 26 | Very low | 26.6 | Very low | 146 Ų | 146 | 128.2 Ų | 128.2 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | trans | -128.1 | 169.9 | -171.7 | -99.1 | 168 | 0 | 0 | 0 | 109.8 | ||||
| 207 | L | 26.4 | Very low | 26.4 | Very low | 157 Ų | 157 | 130.3 Ų | 130.3 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | 68.8 | 155.1 | 156.9 | -68 | 153.7 | 0 | 0 | 0 | 116.6 | ||||
| 208 | S | 25.4 | Very low | 26.2 | Very low | 108 Ų | 108 | 129 Ų | 129 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | cis | -155.1 | 164.6 | -8.4 | 38 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 209 | A | 26.5 | Very low | 26.1 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -76.1 | 161.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 210 | A | 23.1 | Very low | 25.9 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | -154.3 | 143.3 | 151.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 211 | T | 26.4 | Very low | 25.8 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | trans | -137 | 172.7 | 170.8 | 25.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 212 | P | 36.6 | Very low | 25.6 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | cis | -135.1 | -164.9 | 4.8 | 39.3 | -19.3 | 0 | 0 | 0 | 115.2 | ||||
| 213 | A | 21.9 | Very low | 25.3 | Very low | 85 Ų | 85 | 136.8 Ų | 136.8 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | trans | 86.4 | 119.1 | 144.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 214 | T | 22.8 | Very low | 25.1 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | 174.2 | 146.9 | 101.6 | -66.2 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 215 | I | 24.5 | Very low | 24.9 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | trans | -104.8 | 141.9 | 177.4 | -62.6 | 165.2 | 0 | 0 | 0 | 109.7 | ||||
| 216 | P | 24.6 | Very low | 24.8 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -117.1 | 146.1 | 134.1 | -6 | 26.2 | 0 | 0 | 0 | 112.7 | ||||
| 217 | N | 23.1 | Very low | 24.8 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -69.9 | 152.6 | 167.2 | -73.5 | -23 | 0 | 0 | 0 | 110.5 | ||||
| 218 | D | 23.9 | Very low | 24.9 | Very low | 146 Ų | 146 | 137 Ų | 137 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | -158.9 | 120.6 | 110.4 | -117.7 | -33.1 | 0 | 0 | 0 | 115.1 | |||||
| 219 | N | 24.3 | Very low | 25.1 | Very low | 131 Ų | 131 | 138.9 Ų | 138.9 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | 5.8 | 118.3 | 151.2 | -62.8 | -71.1 | 0 | 0 | 0 | 120.3 | ||||
| 220 | K | 23 | Very low | 25.2 | Very low | 205 Ų | 205 | 138.4 Ų | 138.4 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | -172.1 | 145.9 | 90.2 | -101.5 | 178.8 | -178.2 | 177.7 | 0 | 114.2 | |||||
| 221 | E | 22.8 | Very low | 25.5 | Very low | 185 Ų | 185 | 137 Ų | 137 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | trans | -83.6 | 149.1 | 171.4 | -59.3 | 159.1 | 130.7 | 0 | 0 | 111 | ||||
| 222 | Q | 23.6 | Very low | 25.7 | Very low | 191 Ų | 191 | 134.9 Ų | 134.9 | 89% | 0.893 | 74% | 0.739 | S | S | * | * | trans | -154.3 | 114.9 | 145.3 | -125.2 | 173.3 | 7 | 0 | 0 | 110.7 | ||||
| 223 | E | 23.7 | Very low | 25.4 | Very low | 167 Ų | 167 | 136 Ų | 136 | 78% | 0.78 | 73% | 0.734 | S | S | * | * | trans | -71.2 | 148.2 | 170.4 | -56.5 | 179.1 | 123.5 | 0 | 0 | 110.3 | ||||
| 224 | I | 24.5 | Very low | 25.9 | Very low | 157 Ų | 157 | 138.1 Ų | 138.1 | 81% | 0.805 | 73% | 0.727 | S | S | * | * | trans | -122.4 | 100.4 | 165.2 | -60.6 | -178.3 | 0 | 0 | 0 | 108.4 | ||||
| 225 | N | 23.6 | Very low | 26.3 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | trans | -73.6 | 127 | 171.7 | -81.4 | -70.9 | 0 | 0 | 0 | 110.2 | S227 | N225-S227 PolarHBondContact O-N 3.11Š| ||
| 226 | L | 25.3 | Very low | 26.6 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 87% | 0.874 | 72% | 0.719 | S | S | * | * | trans | -83.5 | 89.2 | 173.9 | -79.2 | 165.4 | 0 | 0 | 0 | 110.3 | ||||
| 227 | S | 24.4 | Very low | 26.7 | Very low | 78 Ų | 78 | 135.7 Ų | 135.7 | 55% | 0.545 | 72% | 0.715 | S | S | . | * | trans | -70.9 | 145.6 | 165.9 | -177.1 | 0 | 0 | 0 | 0 | 111 | N225 E229 | N225-S227 PolarHBondContact O-N 3.11Å; S227-E229 PolarHBondContact OG-N 2.97Å | ||
| 228 | V | 28.8 | Very low | 27 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 79% | 0.794 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -86.4 | -9.4 | -177.1 | 176.1 | 0 | 0 | 0 | 0 | 112.4 | ||
| 229 | E | 29.5 | Very low | 27.2 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 69% | 0.687 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -23.3 | -170.7 | -62 | 179.4 | 131.2 | 0 | 0 | 113.8 | S227 A231 T232 | S227-E229 PolarHBondContact OG-N 2.97Å; E229-A231 PolarHBondContact O-N 3.19Å; E229-A231 VanDerWaalsContact O-N 3.16Å; E229-T232 PolarHBondContact O-N 3.5Å; E229-T232 VanDerWaalsContact O-N 3.17Å; E229-T232 PolarHBondContact O-OG1 3.13Å |
| 230 | D | 28.5 | Very low | 27.4 | Very low | 88 Ų | 88 | 137.5 Ų | 137.5 | 47% | 0.471 | 72% | 0.716 | S | S | . | * | H | α-helix | trans | -68.8 | -11.5 | -178.2 | -175.3 | 55 | 0 | 0 | 0 | 114.2 | T232 K234 | D230-T232 VanDerWaalsContact C-N 3.33Å; D230-K234 IonicContact OD1-NZ 3.11Å; D230-K234 PolarHBondContact OD1-NZ 2.84Å; D230-K234 IonicContact OD2-NZ 2.88Å; D230-K234 PolarHBondContact OD2-NZ 2.94Å |
| 231 | A | 29.3 | Very low | 27.5 | Very low | 72 Ų | 72 | 136.1 Ų | 136.1 | 60% | 0.595 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -75.9 | -19.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | E229 | E229-A231 PolarHBondContact O-N 3.19Å; E229-A231 VanDerWaalsContact O-N 3.16Å |
| 232 | T | 31.3 | Very low | 27.5 | Very low | 94 Ų | 94 | 130.4 Ų | 130.4 | 58% | 0.577 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -88.8 | -36.6 | -172.3 | -3.1 | 0 | 0 | 0 | 0 | 113.5 | E229 D230 L235 | E229-T232 PolarHBondContact O-N 3.5Å; E229-T232 VanDerWaalsContact O-N 3.17Å; E229-T232 PolarHBondContact O-OG1 3.13Å; D230-T232 VanDerWaalsContact C-N 3.33Å; T232-L235 PolarHBondContact O-N 3.38Å |
| 233 | E | 30.9 | Very low | 27.5 | Very low | 142 Ų | 142 | 127.2 Ų | 127.2 | 66% | 0.664 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -75.2 | -31.3 | 179.6 | -63.9 | -164.9 | 129.4 | 0 | 0 | 112.7 | L235 L236 A237 | E233-L235 PolarHBondContact O-N 2.95Å; E233-L235 VanDerWaalsContact O-N 3.14Å; E233-L236 WeakPolarHBondContact O-CB 3.41Å; E233-L236 PolarHBondContact O-N 3.23Å; E233-A237 PolarHBondContact O-N 3.17Å |
| 234 | K | 30.8 | Very low | 27.6 | Very low | 129 Ų | 129 | 125 Ų | 125 | 56% | 0.561 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -10.7 | 176.1 | -73.1 | 174.8 | 170.8 | 100.4 | 0 | 114 | D230 | D230-K234 IonicContact OD1-NZ 3.11Å; D230-K234 PolarHBondContact OD1-NZ 2.84Å; D230-K234 IonicContact OD2-NZ 2.88Å; D230-K234 PolarHBondContact OD2-NZ 2.94Å |
| 235 | L | 31.5 | Very low | 27.7 | Very low | 124 Ų | 124 | 124.9 Ų | 124.9 | 65% | 0.649 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -12.3 | 168.5 | -85.7 | 165.5 | 0 | 0 | 0 | 114 | T232 E233 S238 | T232-L235 PolarHBondContact O-N 3.38Å; E233-L235 PolarHBondContact O-N 2.95Å; E233-L235 VanDerWaalsContact O-N 3.14Å; L235-S238 PolarHBondContact O-OG 2.95Å |
| 236 | L | 30.5 | Very low | 27.7 | Very low | 139 Ų | 139 | 124.2 Ų | 124.2 | 73% | 0.728 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -36.3 | 176.1 | -68 | 169.6 | 0 | 0 | 0 | 111.6 | E233 S238 | E233-L236 WeakPolarHBondContact O-CB 3.41Å; E233-L236 PolarHBondContact O-N 3.23Å; L236-S238 PolarHBondContact O-N 2.82Å; L236-S238 VanDerWaalsContact O-N 3.12Å |
| 237 | A | 27.6 | Very low | 27.8 | Very low | 84 Ų | 84 | 121.3 Ų | 121.3 | 69% | 0.694 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -5.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E233 | E233-A237 PolarHBondContact O-N 3.17Š|
| 238 | S | 29.1 | Very low | 27.8 | Very low | 81 Ų | 81 | 122.2 Ų | 122.2 | 57% | 0.566 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 10.4 | -177.3 | 48.9 | 0 | 0 | 0 | 0 | 115.1 | L235 L236 | L235-S238 PolarHBondContact O-OG 2.95Å; L236-S238 PolarHBondContact O-N 2.82Å; L236-S238 VanDerWaalsContact O-N 3.12Å |
| 239 | F | 28.1 | Very low | 27.7 | Very low | 191 Ų | 191 | 122.9 Ų | 122.9 | 84% | 0.838 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -103.7 | 1.1 | 173.6 | -91.3 | -76.1 | 0 | 0 | 0 | 114.9 | ||
| 240 | E | 28.4 | Very low | 27.4 | Very low | 179 Ų | 179 | 122.7 Ų | 122.7 | 84% | 0.836 | 73% | 0.733 | S | S | * | * | trans | -110.2 | 114.5 | 168.9 | -64.7 | -166.3 | 155.6 | 0 | 0 | 110.4 | ||||
| 241 | L | 24.4 | Very low | 27.3 | Very low | 175 Ų | 175 | 127.1 Ų | 127.1 | 92% | 0.916 | 75% | 0.751 | S | S | * | * | trans | -146.7 | 108.1 | 161.7 | -127.3 | 169 | 0 | 0 | 0 | 108.2 | ||||
| 242 | G | 23.8 | Very low | 27.1 | Very low | 66 Ų | 66 | 129.2 Ų | 129.2 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | trans | -75 | 167.2 | -165 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 243 | S | 23.7 | Very low | 26.9 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | trans | -79 | 111.6 | 161.2 | 53.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 244 | T | 25.8 | Very low | 27.3 | Very low | 120 Ų | 120 | 129.5 Ų | 129.5 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | -132.7 | 134.1 | 159.3 | 60.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 245 | D | 26 | Very low | 27 | Very low | 155 Ų | 155 | 127.9 Ų | 127.9 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | 176.2 | 112.9 | 117 | -89.2 | 5.7 | 0 | 0 | 0 | 110.8 | |||||
| 246 | S | 25.1 | Very low | 26.7 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -156.2 | 122 | 157.1 | 62.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 247 | A | 25.8 | Very low | 26.5 | Very low | 106 Ų | 106 | 124.7 Ų | 124.7 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | trans | -75.2 | 165.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 248 | A | 24.6 | Very low | 26.4 | Very low | 98 Ų | 98 | 130 Ų | 130 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -85.8 | 150.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 249 | V | 26.1 | Very low | 26.2 | Very low | 144 Ų | 144 | 135 Ų | 135 | 87% | 0.873 | 82% | 0.821 | S | S | * | * | trans | -144.6 | 158.4 | 155 | -176.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 250 | D | 24.5 | Very low | 26 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 77% | 0.765 | 82% | 0.821 | S | S | * | * | trans | -70.7 | 163.6 | -162.5 | -70.5 | -63.6 | 0 | 0 | 0 | 119.9 | ||||
| 251 | E | 25.8 | Very low | 25.8 | Very low | 182 Ų | 182 | 128.9 Ų | 128.9 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | 16.3 | 126.3 | 147.1 | -56.2 | -170.8 | 144.1 | 0 | 0 | 121 | ||||
| 252 | S | 25.1 | Very low | 26.6 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | -177 | 106.8 | 114.6 | 58 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 253 | S | 26.9 | Very low | 26.6 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | 65.4 | 167.9 | 140.5 | -95.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 254 | P | 40.3 | Very low | 26.7 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -137.7 | -156.2 | -131.2 | 46.1 | -27.3 | 0 | 0 | 0 | 116.3 | ||||
| 255 | A | 25 | Very low | 26.6 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | trans | 91.2 | 137.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 256 | A | 24.3 | Very low | 27.4 | Very low | 101 Ų | 101 | 129.2 Ų | 129.2 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | cis | 134.7 | 95.4 | -12.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 257 | A | 25.7 | Very low | 27.3 | Very low | 95 Ų | 95 | 132.2 Ų | 132.2 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -158.8 | 104.9 | 158.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 258 | K | 25.6 | Very low | 27.3 | Very low | 196 Ų | 196 | 132.8 Ų | 132.8 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | 79.8 | 102.5 | 85.5 | -80.8 | -173.8 | 176.5 | -179.3 | 0 | 115.3 | |||||
| 259 | F | 24.6 | Very low | 27.3 | Very low | 186 Ų | 186 | 133.7 Ų | 133.7 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | 35 | 113 | 128.2 | -77.6 | -86 | 0 | 0 | 0 | 119.3 | |||||
| 260 | N | 24.6 | Very low | 27.3 | Very low | 154 Ų | 154 | 135.3 Ų | 135.3 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | 177.7 | 159.5 | 90.3 | -94.6 | -29.5 | 0 | 0 | 0 | 114.2 | |||||
| 261 | A | 24.3 | Very low | 27.4 | Very low | 86 Ų | 86 | 136.1 Ų | 136.1 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | -122.9 | -169.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 262 | P | 41 | Very low | 27.8 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | cis | -139.3 | -156.8 | -0.4 | 26.2 | 1.8 | 0 | 0 | 0 | 113.9 | ||||
| 263 | V | 24.8 | Very low | 28 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 71% | 0.709 | 78% | 0.778 | S | S | * | * | trans | 100 | 105.7 | 151.2 | -177.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 264 | Y | 25.2 | Very low | 28.2 | Very low | 212 Ų | 212 | 136.4 Ų | 136.4 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | trans | 44.9 | 114.3 | 138 | -74 | -99.7 | 0 | 0 | 0 | 124.4 | ||||
| 265 | S | 23.9 | Very low | 27.9 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | 39.9 | 163.6 | 118.1 | 74.1 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 266 | P | 41.9 | Very low | 28.2 | Very low | 105 Ų | 105 | 138.5 Ų | 138.5 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | cis | -135.1 | -163.4 | -17 | 26.8 | -1.3 | 0 | 0 | 0 | 114.6 | ||||
| 267 | F | 24.3 | Very low | 28.7 | Very low | 185 Ų | 185 | 140 Ų | 140 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | 107.2 | 104 | 160.7 | -77.2 | -85.2 | 0 | 0 | 0 | 121.4 | ||||
| 268 | V | 24.5 | Very low | 29.1 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 71% | 0.709 | 77% | 0.766 | S | S | * | * | 33.7 | 115 | 127.3 | -171.3 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 269 | T | 24.8 | Very low | 29.6 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | -170.2 | 152.8 | 112.6 | 22.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 270 | E | 25.5 | Very low | 30 | Very low | 178 Ų | 178 | 136.2 Ų | 136.2 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | 57.9 | 136.2 | 145.6 | -68.6 | 169.5 | -162.7 | 0 | 0 | 124.1 | ||||
| 271 | N | 27.8 | Very low | 30.5 | Very low | 161 Ų | 161 | 135.5 Ų | 135.5 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | trans | -91.3 | 152.2 | 159.8 | -74.6 | -58.7 | 0 | 0 | 0 | 109.7 | ||||
| 272 | P | 34.9 | Very low | 30.9 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | -142.5 | 126.9 | 117 | 30 | -13 | 0 | 0 | 0 | 116.4 | |||||
| 273 | T | 28.8 | Very low | 30.4 | Very low | 118 Ų | 118 | 139.3 Ų | 139.3 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | trans | 9.5 | 145 | 144.3 | 47.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 274 | K | 30.1 | Very low | 30.9 | Very low | 188 Ų | 188 | 139 Ų | 139 | 82% | 0.817 | 74% | 0.741 | S | S | * | * | trans | 74.9 | 104.4 | 147.4 | -69.3 | 161.9 | 179.7 | -179.9 | 0 | 119.1 | ||||
| 275 | S | 35.3 | Very low | 31.1 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -165.7 | 35.2 | 145.2 | -164.5 | 0 | 0 | 0 | 0 | 115.4 | ||
| 276 | L | 30.5 | Very low | 31.2 | Very low | 136 Ų | 136 | 136 Ų | 136 | 71% | 0.712 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -138.3 | -12.1 | -176.8 | -102.5 | 161.6 | 0 | 0 | 0 | 117.1 | A278 | L276-A278 PolarHBondContact O-N 2.82Š|
| 277 | D | 34.5 | Very low | 30.5 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -4 | 178.9 | -67.3 | -61.6 | 0 | 0 | 0 | 114.7 | ||
| 278 | A | 34 | Very low | 30.6 | Very low | 85 Ų | 85 | 141 Ų | 141 | 70% | 0.702 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -51.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L276 F280 | L276-A278 PolarHBondContact O-N 2.82Å; A278-F280 PolarHBondContact O-N 3.44Å |
| 279 | E | 35.6 | Very low | 30.6 | Very low | 155 Ų | 155 | 142.1 Ų | 142.1 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -31.5 | -174.7 | -64.7 | -176.8 | 125.4 | 0 | 0 | 112.4 | Q281 E282 | E279-Q281 VanDerWaalsContact C-N 3.3Å; E279-Q281 PolarHBondContact O-N 3.17Å; E279-E282 PolarHBondContact O-N 2.84Å |
| 280 | F | 33.3 | Very low | 30.7 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 69% | 0.689 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -70.7 | -22.7 | -176 | -153.3 | -98.8 | 0 | 0 | 0 | 113.6 | A278 | A278-F280 PolarHBondContact O-N 3.44Å |
| 281 | Q | 35.6 | Very low | 30.6 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -83.2 | -13.6 | 177.5 | -68.5 | -156.5 | 13.3 | 0 | 0 | 114.4 | E279 | E279-Q281 VanDerWaalsContact C-N 3.3Å; E279-Q281 PolarHBondContact O-N 3.17Å |
| 282 | E | 33.3 | Very low | 30.4 | Very low | 148 Ų | 148 | 138.9 Ų | 138.9 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -84.3 | -39.2 | 176.4 | -160.6 | 158.9 | -130.6 | 0 | 0 | 111.3 | E279 V284 K285 | E279-E282 PolarHBondContact O-N 2.84Å; E282-V284 PolarHBondContact O-N 3.41Å; E282-V284 VanDerWaalsContact O-N 3.15Å; E282-K285 PolarHBondContact O-N 2.86Å; E282-K285 VanDerWaalsContact O-N 3.11Å |
| 283 | L | 30.3 | Very low | 29.9 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 72% | 0.717 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -58.5 | -31.2 | 178.7 | -145.8 | 91.5 | 0 | 0 | 0 | 113.2 | K285 S286 | L283-K285 VanDerWaalsContact C-N 3.31Å; L283-K285 PolarHBondContact O-N 2.87Å; L283-S286 PolarHBondContact O-OG 2.94Å |
| 284 | V | 34 | Very low | 29.8 | Very low | 111 Ų | 111 | 144.1 Ų | 144.1 | 67% | 0.673 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -14.5 | -177.7 | 177.6 | 0 | 0 | 0 | 0 | 113.1 | E282 | E282-V284 PolarHBondContact O-N 3.41Å; E282-V284 VanDerWaalsContact O-N 3.15Å |
| 285 | K | 29.7 | Very low | 29.4 | Very low | 166 Ų | 166 | 142.4 Ų | 142.4 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -11 | -177.9 | -67.6 | 175.3 | -175.5 | 167.6 | 0 | 114.5 | E282 L283 | E282-K285 PolarHBondContact O-N 2.86Å; E282-K285 VanDerWaalsContact O-N 3.11Å; L283-K285 VanDerWaalsContact C-N 3.31Å; L283-K285 PolarHBondContact O-N 2.87Å |
| 286 | S | 27.5 | Very low | 28.8 | Very low | 79 Ų | 79 | 145.8 Ų | 145.8 | 55% | 0.552 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -87.4 | -17.3 | -166.9 | 58.3 | 0 | 0 | 0 | 0 | 116 | L283 | L283-S286 PolarHBondContact O-OG 2.94Š|
| 287 | F | 25.9 | Very low | 28.6 | Very low | 191 Ų | 191 | 146.5 Ų | 146.5 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | trans | -125.1 | 72.2 | -173.9 | -81.9 | -83.8 | 0 | 0 | 0 | 114.4 | ||||
| 288 | K | 25.8 | Very low | 28.1 | Very low | 202 Ų | 202 | 148.5 Ų | 148.5 | 88% | 0.878 | 75% | 0.75 | S | S | * | * | trans | -143.4 | 96.9 | 161.9 | -91.1 | -169.1 | 176.1 | 176.9 | 0 | 113.2 | ||||
| 289 | V | 25.2 | Very low | 27.8 | Very low | 142 Ų | 142 | 149.4 Ų | 149.4 | 86% | 0.861 | 75% | 0.748 | S | S | * | * | trans | -141.4 | 105.6 | 164 | -176.2 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 290 | Q | 26.3 | Very low | 27.5 | Very low | 158 Ų | 158 | 147.6 Ų | 147.6 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | 59.3 | 138.4 | 76.3 | -66.4 | -159.5 | 4.2 | 0 | 0 | 113.4 | |||||
| 291 | N | 24.6 | Very low | 27.1 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 67% | 0.674 | 75% | 0.754 | S | S | * | * | cis | -149.8 | -151.4 | -11.9 | -95.6 | -24.8 | 0 | 0 | 0 | 105.2 | ||||
| 292 | V | 23.7 | Very low | 26.7 | Very low | 103 Ų | 103 | 144.7 Ų | 144.7 | 62% | 0.624 | 76% | 0.759 | S | S | * | * | cis | -157.3 | 165.9 | 10 | -162.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 293 | F | 25 | Very low | 26.4 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | trans | 106.4 | 128.6 | 151.9 | -63 | -74.3 | 0 | 0 | 0 | 117.9 | ||||
| 294 | K | 25.1 | Very low | 26.1 | Very low | 175 Ų | 175 | 143.1 Ų | 143.1 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | cis | -163.1 | 150.2 | -28.7 | -128.3 | -168.8 | -164.3 | -179.5 | 0 | 108.3 | ||||
| 295 | N | 23.3 | Very low | 25.5 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | trans | -77.1 | 147.1 | 173.1 | -69.6 | -8.6 | 0 | 0 | 0 | 112.3 | ||||
| 296 | M | 22.6 | Very low | 25.3 | Very low | 194 Ų | 194 | 142.7 Ų | 142.7 | 96% | 0.956 | 78% | 0.778 | S | S | * | * | trans | -135.8 | 132.7 | 150.9 | -85.4 | -169.3 | 163.5 | 0 | 0 | 108.9 | ||||
| 297 | N | 25.8 | Very low | 25.1 | Very low | 152 Ų | 152 | 147.4 Ų | 147.4 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | -91.8 | 143.5 | 172.3 | -65.5 | -20 | 0 | 0 | 0 | 109.5 | ||||
| 298 | L | 24 | Very low | 25 | Very low | 174 Ų | 174 | 146.6 Ų | 146.6 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | -160 | 172.3 | 157.5 | -100.4 | 165.7 | 0 | 0 | 0 | 107.5 | ||||
| 299 | P | 26.8 | Very low | 25 | Very low | 104 Ų | 104 | 143.2 Ų | 143.2 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 168.6 | -133.8 | 37.7 | -39.6 | 0 | 0 | 0 | 115.5 | ||
| 300 | P | 29 | Very low | 24.9 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 144.7 | 172.6 | 27.5 | -36.1 | 0 | 0 | 0 | 112.8 | ||
| 301 | P | 26.7 | Very low | 24.9 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 158.9 | 170.6 | 31.3 | -34.9 | 0 | 0 | 0 | 111.8 | ||
| 302 | P | 26.9 | Very low | 24.8 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 148.5 | -169.6 | 30.3 | -36.3 | 0 | 0 | 0 | 113.8 | ||
| 303 | S | 25.3 | Very low | 24.8 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 124 | 167 | 52.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 304 | V | 24.5 | Very low | 24.8 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | trans | -117.6 | 121 | 163.3 | 179.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 305 | S | 22.5 | Very low | 24.9 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | -73.4 | 134.8 | 178 | 46 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 306 | I | 25.3 | Very low | 24.9 | Very low | 164 Ų | 164 | 129.8 Ų | 129.8 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | trans | -108.7 | 126.8 | 161 | -62.7 | 177.3 | 0 | 0 | 0 | 106.2 | ||||
| 307 | E | 23.3 | Very low | 25.2 | Very low | 178 Ų | 178 | 127.8 Ų | 127.8 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -81.9 | 133.9 | -178.3 | -62.2 | 176.4 | 131.3 | 0 | 0 | 110.8 | ||||
| 308 | E | 24.2 | Very low | 25.1 | Very low | 174 Ų | 174 | 130.8 Ų | 130.8 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -86.3 | 128 | 166.1 | -68.9 | -171.9 | 139.8 | 0 | 0 | 110.5 | ||||
| 309 | P | 24.8 | Very low | 25.1 | Very low | 131 Ų | 131 | 133.7 Ų | 133.7 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -84.8 | 112.5 | 160.1 | 3.2 | 15 | 0 | 0 | 0 | 109.6 | ||||
| 310 | V | 24 | Very low | 25 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | trans | -84.9 | 125.6 | -176.8 | 176.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 311 | S | 25.2 | Very low | 24.9 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | trans | -166.9 | 118 | 143.8 | 52.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 312 | S | 23.4 | Very low | 24.7 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | 75.3 | 88.3 | 51.7 | 81.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 313 | A | 24 | Very low | 24.5 | Very low | 101 Ų | 101 | 142.9 Ų | 142.9 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -158.4 | 143.8 | 150.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 314 | S | 23.8 | Very low | 24.7 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -49.1 | 151.7 | 176.2 | 48 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 315 | A | 27.8 | Very low | 24.8 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -72.9 | 142.9 | 156.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 316 | S | 23.9 | Very low | 25 | Very low | 101 Ų | 101 | 142.8 Ų | 142.8 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | -154.5 | 141.9 | 164.3 | 53.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 317 | D | 27.9 | Very low | 25 | Very low | 152 Ų | 152 | 141.8 Ų | 141.8 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | -64 | 135.2 | 177.6 | -71.2 | -82.7 | 0 | 0 | 0 | 112.5 | ||||
| 318 | Y | 23.8 | Very low | 25.1 | Very low | 214 Ų | 214 | 140.3 Ų | 140.3 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | -140.5 | 115.3 | 144.6 | -95.5 | -76.2 | 0 | 0 | 0 | 110.7 | ||||
| 319 | R | 24.2 | Very low | 25.1 | Very low | 236 Ų | 236 | 136.6 Ų | 136.6 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | trans | -73.9 | 129.8 | 161.4 | -66.5 | 178.1 | 179.4 | 175.4 | -1 | 108.1 | ||||
| 320 | H | 25.5 | Very low | 25.2 | Very low | 163 Ų | 163 | 136.9 Ų | 136.9 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -135.6 | 145.6 | 154.4 | -108.3 | -84.9 | 0 | 0 | 0 | 109.9 | ||||
| 321 | Q | 25.7 | Very low | 25.2 | Very low | 177 Ų | 177 | 142.7 Ų | 142.7 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -67.8 | 141.1 | 175.8 | -67.3 | 148.2 | -80.8 | 0 | 0 | 109.4 | ||||
| 322 | I | 23.5 | Very low | 25.3 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | -106 | 112.4 | 167.3 | -62.7 | 177 | 0 | 0 | 0 | 106.1 | ||||
| 323 | D | 22.1 | Very low | 25.5 | Very low | 147 Ų | 147 | 142.9 Ų | 142.9 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -65.2 | 141.9 | 172.9 | -83.5 | -52.9 | 0 | 0 | 0 | 110.9 | T325 | D323-T325 PolarHBondContact O-N 2.85Š| ||
| 324 | T | 30.3 | Very low | 25.8 | Very low | 135 Ų | 135 | 147 Ų | 147 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | trans | -87.5 | 96.9 | -175.8 | 51.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 325 | T | 26 | Very low | 26.5 | Very low | 135 Ų | 135 | 145.9 Ų | 145.9 | 83% | 0.828 | 76% | 0.76 | S | S | * | * | trans | -164.1 | 153.9 | 158.4 | 10.7 | 0 | 0 | 0 | 0 | 111.8 | D323 | D323-T325 PolarHBondContact O-N 2.85Š| ||
| 326 | S | 25.7 | Very low | 26.9 | Very low | 84 Ų | 84 | 145.3 Ų | 145.3 | 59% | 0.587 | 75% | 0.749 | S | S | * | * | trans | 65.1 | 131.1 | -176.9 | -178.3 | 0 | 0 | 0 | 0 | 116.6 | D328 | S326-D328 WeakPolarHBondContact CB-OD2 3.38Å; S326-D328 PolarHBondContact OG-N 2.92Å; S326-D328 PolarHBondContact OG-OD2 2.92Å | ||
| 327 | L | 26 | Very low | 27.9 | Very low | 143 Ų | 143 | 144.4 Ų | 144.4 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | trans | -109 | 3.1 | 172.1 | -95.2 | 162.5 | 0 | 0 | 0 | 112.1 | S329 | L327-S329 PolarHBondContact O-N 2.96Š| ||
| 328 | D | 25.4 | Very low | 28.6 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 79% | 0.786 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 12.8 | -159.6 | -48.8 | -75.9 | 0 | 0 | 0 | 114.2 | S326 | S326-D328 WeakPolarHBondContact CB-OD2 3.38Å; S326-D328 PolarHBondContact OG-N 2.92Å; S326-D328 PolarHBondContact OG-OD2 2.92Å |
| 329 | S | 24.6 | Very low | 29.3 | Very low | 96 Ų | 96 | 130.9 Ų | 130.9 | 67% | 0.671 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.7 | 8.9 | -168.9 | 58.6 | 0 | 0 | 0 | 0 | 115.3 | L327 R331 | L327-S329 PolarHBondContact O-N 2.96Å; S329-R331 VanDerWaalsContact C-N 3.31Å; S329-R331 PolarHBondContact O-N 3.38Å |
| 330 | I | 26.8 | Very low | 30.6 | Very low | 138 Ų | 138 | 120.6 Ų | 120.6 | 71% | 0.708 | 65% | 0.653 | S | S | * | * | trans | -71.5 | 87.8 | 167.7 | -56 | 179.2 | 0 | 0 | 0 | 109.1 | T332 | I330-T332 PolarHBondContact O-N 3.31Š| ||
| 331 | R | 24.2 | Very low | 31 | Very low | 242 Ų | 242 | 115.1 Ų | 115.1 | 91% | 0.913 | 64% | 0.635 | S | S | * | * | trans | -66.5 | 94.2 | 173.9 | -72.9 | -177.2 | 173.5 | 177.6 | -0.6 | 110.6 | S329 | S329-R331 VanDerWaalsContact C-N 3.31Å; S329-R331 PolarHBondContact O-N 3.38Å | ||
| 332 | T | 27.5 | Very low | 31.7 | Very low | 84 Ų | 84 | 109.8 Ų | 109.8 | 52% | 0.515 | 62% | 0.615 | S | S | . | * | trans | -61.3 | 147.9 | 167.8 | 47.5 | 0 | 0 | 0 | 0 | 111.1 | I330 | I330-T332 PolarHBondContact O-N 3.31Š| ||
| 333 | V | 28.1 | Very low | 32.5 | Very low | 133 Ų | 133 | 107.7 Ų | 107.7 | 81% | 0.806 | 61% | 0.61 | S | S | * | * | trans | -54.2 | 140.3 | 171.8 | 178.9 | 0 | 0 | 0 | 0 | 109.4 | D335 | V333-D335 PolarHBondContact O-N 3.46Š| ||
| 334 | K | 29 | Very low | 33.4 | Very low | 188 Ų | 188 | 101.3 Ų | 101.3 | 82% | 0.817 | 58% | 0.576 | S | S | * | * | trans | -59.2 | 112.5 | 176.4 | -75.5 | -176 | 173.5 | -177.1 | 0 | 110.1 | S336 | K334-S336 PolarHBondContact O-N 2.9Å; K334-S336 PolarHBondContact O-OG 3.06Å | ||
| 335 | D | 38.5 | Very low | 34.2 | Very low | 83 Ų | 83 | 97.9 Ų | 97.9 | 44% | 0.444 | 55% | 0.55 | S | S | . | . | trans | -52.8 | 110.3 | 169.1 | -79.3 | -44 | 0 | 0 | 0 | 108.4 | V333 H770 | V333-D335 PolarHBondContact O-N 3.46Å; D335-H770 WeakPolarHBondContact OD2-CB 3.5Å | ||
| 336 | S | 36.1 | Very low | 34.9 | Very low | 92 Ų | 92 | 98 Ų | 98 | 64% | 0.643 | 56% | 0.556 | S | S | * | * | trans | -85.1 | 146.4 | -177.5 | -64.9 | 0 | 0 | 0 | 0 | 110.1 | K334 A338 | K334-S336 PolarHBondContact O-N 2.9Å; K334-S336 PolarHBondContact O-OG 3.06Å; S336-A338 PolarHBondContact O-N 3.25Å | ||
| 337 | P | 44.3 | Very low | 36 | Very low | 82 Ų | 82 | 95.5 Ų | 95.5 | 53% | 0.532 | 54% | 0.541 | S | S | . | . | trans | -57.1 | 128.7 | -172 | 21.6 | -33.4 | 0 | 0 | 0 | 111.8 | S339 | P337-S339 PolarHBondContact O-N 3.5Å; P337-S339 VanDerWaalsContact O-N 3.1Å | ||
| 338 | A | 44 | Very low | 37.8 | Very low | 2 Ų | 2 | 95.6 Ų | 95.6 | 2% | 0.017 | 55% | 0.547 | C | S | . | . | B | Isolated β-bridge | trans | -73.5 | 107.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | S336 L340 L611 Y760 L765 | S336-A338 PolarHBondContact O-N 3.25Å; A338-L340 PolarHBondContact O-N 3.41Å; A338-L340 VanDerWaalsContact O-N 3.08Å; A338-L611 PolarHBondContact N-O 3.06Å; A338-Y760 HydrophobicContact CB-CE1 3.97Å; A338-L765 HydrophobicContact CB-CB 4.46Å; A338-L765 HydrophobicContact CB-CD1 4.28Å; A338-L765 HydrophobicContact CB-CD2 4.33Å |
| 339 | S | 39 | Very low | 40 | Very low | 81 Ų | 81 | 90 Ų | 90 | 57% | 0.566 | 52% | 0.523 | S | S | * | . | trans | -73.2 | 100.3 | 176 | -171.9 | 0 | 0 | 0 | 0 | 110.9 | P337 A341 | P337-S339 PolarHBondContact O-N 3.5Å; P337-S339 VanDerWaalsContact O-N 3.1Å; S339-A341 PolarHBondContact O-N 3.19Å; S339-A341 VanDerWaalsContact O-N 3.17Å | ||
| 340 | L | 49.6 | Very low | 42.9 | Very low | 20 Ų | 20 | 89 Ų | 89 | 11% | 0.105 | 51% | 0.51 | C | S | . | . | trans | -74.9 | 12 | 173.6 | -88 | 156.3 | 0 | 0 | 0 | 113.6 | A338 V342 V605 G608 V609 L611 L765 | A338-L340 PolarHBondContact O-N 3.41Å; A338-L340 VanDerWaalsContact O-N 3.08Å; L340-V342 PolarHBondContact O-N 2.6Å; L340-V605 HydrophobicContact CD2-CB 4.13Å; L340-V605 HydrophobicContact CD2-CG1 3.75Å; L340-V605 HydrophobicContact CD2-CG2 3.95Å; L340-G608 WeakPolarHBondContact O-CA 3.35Å; L340-V609 VanDerWaalsContact CB-O 3.31Å; L340-V609 WeakPolarHBondContact CB-O 3.49Å; L340-V609 WeakPolarHBondContact CD1-O 3.43Å; L340-L611 HydrophobicContact CD1-CB 4.08Å; L340-L765 HydrophobicContact CD1-CD1 4.3Å; L340-L765 HydrophobicContact CD2-CD1 4.27Å; L340-L765 HydrophobicContact CD2-CD2 3.64Å; L340-L765 HydrophobicContact CD2-CG 4.41Å; L340-L765 HydrophobicContact CG-CD1 4.3Å; L340-L765 HydrophobicContact CG-CD2 3.75Å | ||
| 341 | A | 33.8 | Very low | 45.7 | Very low | 47 Ų | 47 | 83.5 Ų | 83.5 | 39% | 0.388 | 48% | 0.483 | S | S | . | . | trans | -90.6 | 85.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S339 | S339-A341 PolarHBondContact O-N 3.19Å; S339-A341 VanDerWaalsContact O-N 3.17Å | ||
| 342 | V | 40.5 | Very low | 48.7 | Very low | 65 Ų | 65 | 73.6 Ų | 73.6 | 39% | 0.394 | 45% | 0.446 | S | S | . | . | trans | -97.4 | 138.4 | 156.4 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | L340 P344 T579 R736 | L340-V342 PolarHBondContact O-N 2.6Å; V342-P344 WeakPolarHBondContact O-CD 3.31Å; V342-T579 HydrophobicContact CB-CG2 3.81Å; V342-T579 HydrophobicContact CG1-CG2 4.04Å; V342-T579 HydrophobicContact CG2-CG2 4.22Å; V342-R736 PolarHBondContact O-NH1 3.23Å | ||
| 343 | V | 40.1 | Very low | 51.4 | Low | 118 Ų | 118 | 72.3 Ų | 72.3 | 72% | 0.715 | 44% | 0.435 | S | S | * | . | trans | -89.6 | 112.8 | -178.2 | -179.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 344 | P | 41.6 | Very low | 54.1 | Low | 13 Ų | 13 | 69.6 Ų | 69.6 | 8% | 0.084 | 42% | 0.417 | C | S | . | . | trans | -123.6 | 162.1 | 150.3 | 40.6 | -37 | 0 | 0 | 0 | 113.1 | V342 V583 R736 | V342-P344 WeakPolarHBondContact O-CD 3.31Å; P344-V583 HydrophobicContact CB-CB 4.47Å; P344-V583 HydrophobicContact CB-CG1 3.81Å; P344-V583 HydrophobicContact CB-CG2 3.78Å; P344-V583 HydrophobicContact CG-CG2 3.75Å; P344-R736 PolarHBondContact O-NH2 2.89Å | ||
| 345 | F | 47 | Very low | 56.8 | Low | 63 Ų | 63 | 66.3 Ų | 66.3 | 28% | 0.276 | 40% | 0.4 | S | S | . | . | trans | 62.9 | 90.3 | 172.7 | -53.4 | -69 | 0 | 0 | 0 | 117.4 | A347 W360 L587 | F345-A347 PolarHBondContact O-N 3.4Å; F345-W360 HydrophobicContact CD1-CH2 4.18Å; F345-W360 HydrophobicContact CE1-CH2 4.49Å; F345-L587 HydrophobicContact CE2-CD1 3.66Å; F345-L587 HydrophobicContact CZ-CB 3.94Å; F345-L587 HydrophobicContact CZ-CD1 3.61Å; F345-L587 HydrophobicContact CZ-CG 4.22Å | ||
| 346 | S | 41.8 | Very low | 59.1 | Low | 137 Ų | 137 | 64.3 Ų | 64.3 | 96% | 0.958 | 40% | 0.399 | S | S | * | . | trans | -77.4 | 6.5 | 152.9 | 52.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 347 | A | 48.5 | Very low | 61.7 | Low | 32 Ų | 32 | 60 Ų | 60 | 26% | 0.264 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -90.4 | 130.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F345 G349 | F345-A347 PolarHBondContact O-N 3.4Å; A347-G349 PolarHBondContact O-N 3.12Å |
| 348 | V | 62.5 | Low | 64 | Low | 145 Ų | 145 | 56.1 Ų | 56.1 | 88% | 0.879 | 34% | 0.344 | S | S | * | . | trans | -59.5 | 133.6 | 170 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 349 | G | 73.5 | Confident | 66.3 | Low | 28 Ų | 28 | 56 Ų | 56 | 29% | 0.289 | 34% | 0.343 | S | S | . | . | trans | -163.1 | 166.8 | -180 | 0 | 0 | 0 | 0 | 0 | 111.1 | A347 | A347-G349 PolarHBondContact O-N 3.12Š| ||
| 350 | I | 84.1 | Confident | 68.8 | Low | 75 Ų | 75 | 53 Ų | 53 | 39% | 0.385 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 125 | -173.6 | -52 | 172.5 | 0 | 0 | 0 | 109.4 | Y352 W360 S361 A364 | I350-Y352 HydrophobicContact CB-CE2 4.11Å; I350-Y352 HydrophobicContact CG2-CE1 3.98Å; I350-Y352 HydrophobicContact CG2-CE2 3.92Å; I350-Y352 WeakPolarHBondContact CG2-OH 3.26Å; I350-W360 WeakPolarHBondContact O-CA 3.01Å; I350-S361 PolarHBondContact N-O 3.43Å; I350-S361 PolarHBondContact O-N 3.43Å; I350-S361 VanDerWaalsContact O-N 3.14Å; I350-A364 HydrophobicContact CD1-CB 4.25Å |
| 351 | T | 85.7 | Confident | 70.7 | Confident | 24 Ų | 24 | 52.1 Ų | 52.1 | 15% | 0.147 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 118.7 | 177.4 | -55.3 | 0 | 0 | 0 | 0 | 112.3 | L358 G359 L730 K731 | T351-L358 HydrophobicContact CG2-CD1 3.63Å; T351-L358 HydrophobicContact CG2-CG 4.41Å; T351-G359 CarbonylContact C-O 3.31Å; T351-G359 VanDerWaalsContact CA-O 3.32Å; T351-G359 WeakPolarHBondContact CA-O 3.39Å; T351-L730 PolarHBondContact OG1-O 3.42Å; T351-K731 HydrophobicContact CG2-CG 3.96Å; T351-K731 WeakPolarHBondContact O-CE 3.35Å |
| 352 | Y | 86.9 | Confident | 73.1 | Confident | 33 Ų | 33 | 55.3 Ų | 55.3 | 13% | 0.129 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 146.1 | 175.5 | -55.2 | -81.5 | 0 | 0 | 0 | 110.6 | I350 L358 G359 H363 A364 V365 F401 | I350-Y352 HydrophobicContact CB-CE2 4.11Å; I350-Y352 HydrophobicContact CG2-CE1 3.98Å; I350-Y352 HydrophobicContact CG2-CE2 3.92Å; I350-Y352 WeakPolarHBondContact CG2-OH 3.26Å; Y352-L358 WeakPolarHBondContact O-CA 3.47Å; Y352-G359 PolarHBondContact N-O 3.17Å; Y352-G359 PolarHBondContact O-N 2.73Å; Y352-H363 PolarHBondContact OH-O 3.33Å; Y352-A364 WeakPolarHBondContact OH-CA 3.44Å; Y352-V365 WeakPolarHBondContact CE1-O 3.36Å; Y352-V365 HydrophobicContact CE2-CB 4.36Å; Y352-V365 PolarHBondContact OH-N 2.98Å; Y352-F401 HydrophobicContact CD1-CE1 4.16Å; Y352-F401 HydrophobicContact CG-CD1 4.48Å; Y352-F401 HydrophobicContact CG-CE1 4.03Å |
| 353 | N | 84.2 | Confident | 75.2 | Confident | 57 Ų | 57 | 55 Ų | 55 | 31% | 0.305 | 31% | 0.311 | S | S | . | . | trans | -145.2 | 41.3 | 175.4 | 71 | -31.7 | 0 | 0 | 0 | 112.6 | V357 L358 Y727 K731 | N353-V357 CarbonylContact C-O 3.52Å; N353-V357 VanDerWaalsContact CA-O 3.31Å; N353-V357 WeakPolarHBondContact CA-O 3.37Å; N353-L358 HydrophobicContact CB-CD1 4.39Å; N353-Y727 HydrophobicContact CB-CD2 4.01Å; N353-Y727 HydrophobicContact CB-CG 4.34Å; N353-K731 WeakPolarHBondContact OD1-CE 3.42Å; N353-K731 PolarHBondContact OD1-NZ 3.08Å | ||
| 354 | N | 85 | Confident | 77.5 | Confident | 77 Ų | 77 | 53.3 Ų | 53.3 | 41% | 0.412 | 31% | 0.309 | S | S | . | . | trans | -103.7 | 152.6 | -174.2 | -54.8 | 26.9 | 0 | 0 | 0 | 110.4 | G356 V357 F401 | N354-G356 PolarHBondContact O-N 2.96Å; N354-V357 PolarHBondContact N-O 2.95Å; N354-V357 PolarHBondContact O-N 3.18Å; N354-F401 HydrophobicContact CB-CZ 4.14Å | ||
| 355 | Y | 86.4 | Confident | 79.9 | Confident | 118 Ų | 118 | 53.1 Ų | 53.1 | 46% | 0.463 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 22.3 | 178.3 | -42.2 | -67.2 | 0 | 0 | 0 | 115.4 | V357 P367 A397 R400 F401 | Y355-V357 VanDerWaalsContact C-N 3.35Å; Y355-P367 HydrophobicContact CE2-CB 4.08Å; Y355-P367 HydrophobicContact CE2-CG 4.01Å; Y355-A397 WeakPolarHBondContact O-CB 3.31Å; Y355-R400 VanDerWaalsContact CD1-NH1 3.33Å; Y355-F401 HydrophobicContact CD2-CE2 4.14Å; Y355-F401 HydrophobicContact CD2-CZ 4.2Å |
| 356 | G | 85.7 | Confident | 81.9 | Confident | 42 Ų | 42 | 56 Ų | 56 | 43% | 0.433 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | -9.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | N354 Y727 | N354-G356 PolarHBondContact O-N 2.96Å; G356-Y727 VanDerWaalsContact O-CE2 3.31Å; G356-Y727 WeakPolarHBondContact O-CE2 3.42Å; G356-Y727 PolarHBondContact O-OH 3.46Å |
| 357 | V | 90.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -97.6 | 132.4 | -178.9 | 164.4 | 0 | 0 | 0 | 0 | 110.8 | N353 N354 Y355 A397 V398 F401 L596 F597 D598 | N353-V357 CarbonylContact C-O 3.52Å; N353-V357 VanDerWaalsContact CA-O 3.31Å; N353-V357 WeakPolarHBondContact CA-O 3.37Å; N354-V357 PolarHBondContact N-O 2.95Å; N354-V357 PolarHBondContact O-N 3.18Å; Y355-V357 VanDerWaalsContact C-N 3.35Å; V357-A397 HydrophobicContact CG2-CB 3.5Å; V357-A397 VanDerWaalsContact CG2-CB 3.5Å; V357-V398 HydrophobicContact CG1-CG1 4.27Å; V357-V398 HydrophobicContact CG2-CG1 3.62Å; V357-F401 HydrophobicContact CB-CE2 4.22Å; V357-F401 HydrophobicContact CG1-CD2 4.2Å; V357-F401 HydrophobicContact CG1-CE2 4.16Å; V357-L596 HydrophobicContact CG1-CB 4.34Å; V357-L596 HydrophobicContact CG1-CD2 3.99Å; V357-F597 VanDerWaalsContact CA-O 3.32Å; V357-F597 WeakPolarHBondContact CA-O 3.46Å; V357-D598 HydrophobicContact CG2-CB 4.42Å | ||
| 358 | L | 92.6 | Very high | 86.4 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 126.7 | 161.3 | -174.4 | 81.2 | 0 | 0 | 0 | 108.6 | T351 Y352 N353 F597 A603 Y727 L730 | T351-L358 HydrophobicContact CG2-CD1 3.63Å; T351-L358 HydrophobicContact CG2-CG 4.41Å; Y352-L358 WeakPolarHBondContact O-CA 3.47Å; N353-L358 HydrophobicContact CB-CD1 4.39Å; L358-F597 HydrophobicContact CB-CB 4.33Å; L358-F597 HydrophobicContact CD2-CD2 4.14Å; L358-F597 PolarHBondContact N-O 3.11Å; L358-F597 PolarHBondContact O-N 3.42Å; L358-A603 HydrophobicContact CB-CB 4.42Å; L358-A603 HydrophobicContact CD2-CB 3.89Å; L358-Y727 HydrophobicContact CB-CD1 4Å; L358-Y727 HydrophobicContact CB-CE1 3.74Å; L358-Y727 HydrophobicContact CB-CE2 4.29Å; L358-Y727 HydrophobicContact CB-CG 4.37Å; L358-Y727 HydrophobicContact CD1-CD1 4.03Å; L358-Y727 HydrophobicContact CD1-CG 4.03Å; L358-Y727 HydrophobicContact CG-CD1 4.42Å; L358-L730 HydrophobicContact CD1-CB 4.21Å; L358-L730 HydrophobicContact CD1-CD1 4.33Å; L358-L730 HydrophobicContact CD2-CB 4.31Å; L358-L730 HydrophobicContact CD2-CD1 3.54Å; L358-L730 HydrophobicContact CD2-CG 4.5Å |
| 359 | G | 92.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 145.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T351 Y352 V595 | T351-G359 CarbonylContact C-O 3.31Å; T351-G359 VanDerWaalsContact CA-O 3.32Å; T351-G359 WeakPolarHBondContact CA-O 3.39Å; Y352-G359 PolarHBondContact N-O 3.17Å; Y352-G359 PolarHBondContact O-N 2.73Å; G359-V595 CarbonylContact C-O 3.56Å; G359-V595 VanDerWaalsContact CA-O 3.29Å; G359-V595 WeakPolarHBondContact CA-O 3.44Å |
| 360 | W | 91.6 | Very high | 88.3 | Confident | 18 Ų | 18 | 47 Ų | 47 | 7% | 0.068 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 132.3 | 170.5 | 179.6 | 89.3 | 0 | 0 | 0 | 110.2 | F345 I350 R362 V593 L594 V595 | F345-W360 HydrophobicContact CD1-CH2 4.18Å; F345-W360 HydrophobicContact CE1-CH2 4.49Å; I350-W360 WeakPolarHBondContact O-CA 3.01Å; W360-R362 HydrophobicContact CH2-CG 4.02Å; W360-V593 HydrophobicContact CZ3-CG1 3.98Å; W360-L594 WeakPolarHBondContact O-CA 3.42Å; W360-V595 HydrophobicContact CE3-CG2 4.19Å; W360-V595 PolarHBondContact N-O 3.37Å; W360-V595 PolarHBondContact O-N 3.27Å |
| 361 | S | 90.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 156.4 | 170.8 | -170.3 | 0 | 0 | 0 | 0 | 111.7 | I350 H363 H405 V593 | I350-S361 PolarHBondContact N-O 3.43Å; I350-S361 PolarHBondContact O-N 3.43Å; I350-S361 VanDerWaalsContact O-N 3.14Å; S361-H363 PolarHBondContact O-N 3.22Å; S361-H363 PolarHBondContact OG-N 3.03Å; S361-H405 PolarHBondContact OG-NE2 2.93Å; S361-V593 WeakPolarHBondContact CA-O 3.47Å; S361-V593 WeakPolarHBondContact CB-O 3.03Å; S361-V593 PolarHBondContact OG-O 3.46Å |
| 362 | R | 83.7 | Confident | 88.2 | Confident | 115 Ų | 115 | 48 Ų | 48 | 43% | 0.434 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -69.5 | -18.8 | 167.1 | -58.3 | -178.2 | -169.1 | -93 | 2.1 | 112.7 | W360 P591 | W360-R362 HydrophobicContact CH2-CG 4.02Å; R362-P591 VanDerWaalsContact CD-O 3.22Å; R362-P591 WeakPolarHBondContact CD-O 3.38Å; R362-P591 PolarHBondContact NE-O 3.4Å |
| 363 | H | 85.1 | Confident | 88 | Confident | 58 Ų | 58 | 51.5 Ų | 51.5 | 27% | 0.269 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -110.4 | 149.6 | -173.9 | -66 | 115.5 | 0 | 0 | 0 | 111.9 | Y352 S361 V365 H405 K410 D592 | Y352-H363 PolarHBondContact OH-O 3.33Å; S361-H363 PolarHBondContact O-N 3.22Å; S361-H363 PolarHBondContact OG-N 3.03Å; H363-V365 PolarHBondContact O-N 3.17Å; H363-H405 AromaticContact ND1-NE2 3.61Å; H363-K410 PolarHBondContact CD2-NZ 2.85Å; H363-K410 PolarHBondContact CE1-NZ 2.98Å; H363-K410 PolarHBondContact ND1-NZ 2.71Å; H363-K410 PolarHBondContact NE2-NZ 2.79Å; H363-D592 PolarHBondContact ND1-O 3.06Å |
| 364 | A | 88.6 | Confident | 88 | Confident | 83 Ų | 83 | 48.8 Ų | 48.8 | 69% | 0.686 | 26% | 0.264 | S | S | * | . | trans | -64.8 | 121.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | I350 Y352 | I350-A364 HydrophobicContact CD1-CB 4.25Å; Y352-A364 WeakPolarHBondContact OH-CA 3.44Å | ||
| 365 | V | 90.2 | Very high | 87.5 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 6% | 0.055 | 26% | 0.259 | C | S | . | . | trans | -115.2 | 120.4 | 172.6 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | Y352 H363 F401 P404 H405 L594 | Y352-V365 WeakPolarHBondContact CE1-O 3.36Å; Y352-V365 HydrophobicContact CE2-CB 4.36Å; Y352-V365 PolarHBondContact OH-N 2.98Å; H363-V365 PolarHBondContact O-N 3.17Å; V365-F401 HydrophobicContact CG1-CB 4.26Å; V365-F401 HydrophobicContact CG1-CD1 4.29Å; V365-F401 WeakPolarHBondContact CG1-O 3.42Å; V365-P404 HydrophobicContact CG1-CG 4.36Å; V365-H405 HydrophobicContact CG1-CB 4.5Å; V365-H405 HydrophobicContact CG2-CB 4.29Å; V365-H405 WeakPolarHBondContact CG2-CE1 3.39Å; V365-H405 WeakPolarHBondContact CG2-ND1 3.47Å; V365-L594 HydrophobicContact CG1-CD2 4.47Å; V365-L594 HydrophobicContact CG2-CD1 4.32Å; V365-L594 HydrophobicContact CG2-CD2 4.39Å | ||
| 366 | V | 90.8 | Very high | 87.3 | Confident | 122 Ų | 122 | 46.4 Ų | 46.4 | 74% | 0.739 | 26% | 0.262 | S | S | * | . | P | Polyproline II helix | trans | -93 | 119.8 | 171.2 | -178.9 | 0 | 0 | 0 | 0 | 107.8 | P404 | V366-P404 VanDerWaalsContact O-CG 3.32Å; V366-P404 WeakPolarHBondContact O-CG 3.44Å |
| 367 | P | 92.3 | Very high | 87.5 | Confident | 33 Ų | 33 | 44.5 Ų | 44.5 | 21% | 0.214 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -77.8 | 134 | -177.3 | 28.8 | -32.9 | 0 | 0 | 0 | 112.4 | Y355 R400 F401 | Y355-P367 HydrophobicContact CE2-CB 4.08Å; Y355-P367 HydrophobicContact CE2-CG 4.01Å; P367-R400 CarbonylContact C-O 3.59Å; P367-R400 WeakPolarHBondContact CA-O 3.44Å; P367-R400 HydrophobicContact CB-CB 4.12Å; P367-F401 HydrophobicContact CB-CD1 3.84Å; P367-F401 HydrophobicContact CB-CE1 3.81Å; P367-F401 HydrophobicContact CB-CG 4.31Å; P367-F401 HydrophobicContact CB-CZ 4.25Å; P367-F401 HydrophobicContact CG-CD1 4.39Å; P367-F401 HydrophobicContact CG-CE1 3.97Å; P367-F401 HydrophobicContact CG-CZ 4.48Å |
| 368 | C | 91.8 | Very high | 87.5 | Confident | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.027 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 141.5 | 172.1 | 63 | 0 | 0 | 0 | 0 | 111.5 | E373 R400 | C368-E373 HydrophobicContact CB-CB 3.66Å; C368-R400 PolarHBondContact N-O 3.22Å; C368-R400 WeakPolarHBondContact O-CA 3.42Å; C368-R400 VanDerWaalsContact O-CB 3.23Å; C368-R400 WeakPolarHBondContact O-CB 3.34Å; C368-R400 WeakPolarHBondContact O-CG 3.41Å; C368-R400 PolarHBondContact SG-O 3.29Å; C368-R400 VanDerWaalsContact SG-O 3.41Å |
| 369 | Y | 88.8 | Confident | 87.3 | Confident | 109 Ų | 109 | 51.1 Ų | 51.1 | 43% | 0.427 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -79.8 | -33.9 | 176 | -172.6 | -92.4 | 0 | 0 | 0 | 112.9 | E373 R394 A395 R400 | Y369-E373 VanDerWaalsContact CB-OE2 3.28Å; Y369-E373 WeakPolarHBondContact CB-OE2 3.48Å; Y369-E373 PolarHBondContact N-OE2 3.43Å; Y369-R394 HydrophobicContact CD1-CB 4.37Å; Y369-R394 HydrophobicContact CE1-CB 3.85Å; Y369-A395 WeakPolarHBondContact O-CB 3.42Å; Y369-A395 PolarHBondContact O-N 3.07Å; Y369-R400 PolarHBondContact O-NH2 3.27Å |
| 370 | G | 86.6 | Confident | 87.2 | Confident | 8 Ų | 8 | 54 Ų | 54 | 8% | 0.082 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -149.5 | -179.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T372 E373 A374 | G370-T372 PolarHBondContact O-N 3.31Å; G370-E373 PolarHBondContact O-N 3.06Å; G370-E373 VanDerWaalsContact O-N 3.15Å; G370-A374 PolarHBondContact O-N 3.19Å |
| 371 | L | 84.1 | Confident | 87.3 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 5% | 0.047 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -19.2 | -177.9 | -79.4 | 170.1 | 0 | 0 | 0 | 114.4 | R382 M385 Q386 A391 W403 | L371-R382 HydrophobicContact CB-CG 4.46Å; L371-R382 WeakPolarHBondContact O-CD 3.36Å; L371-R382 VanDerWaalsContact O-CZ 3.28Å; L371-R382 PolarHBondContact O-NE 2.92Å; L371-R382 PolarHBondContact O-NH1 2.84Å; L371-M385 HydrophobicContact CD1-CB 4.06Å; L371-M385 HydrophobicContact CD2-CE 3.63Å; L371-M385 HydrophobicContact CD2-SD 3.72Å; L371-Q386 HydrophobicContact CD1-CG 4.25Å; L371-A391 HydrophobicContact CD1-CB 4.06Å; L371-A391 HydrophobicContact CG-CB 4.09Å; L371-W403 HydrophobicContact CD2-CE3 4.1Å; L371-W403 HydrophobicContact CD2-CH2 3.52Å; L371-W403 HydrophobicContact CD2-CZ2 4.2Å; L371-W403 HydrophobicContact CD2-CZ3 3.45Å; L371-W403 VanDerWaalsContact CD2-CZ3 3.45Å; L371-W403 HydrophobicContact CG-CH2 3.92Å; L371-W403 HydrophobicContact CG-CZ3 3.82Å |
| 372 | T | 83.3 | Confident | 87.3 | Confident | 112 Ų | 112 | 55.7 Ų | 55.7 | 69% | 0.687 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -39 | 173.7 | 38.5 | 0 | 0 | 0 | 0 | 112.3 | G370 R382 | G370-T372 PolarHBondContact O-N 3.31Å; T372-R382 VanDerWaalsContact C-NH1 3.29Å; T372-R382 PolarHBondContact O-NH1 2.98Å |
| 373 | E | 84.5 | Confident | 87.6 | Confident | 105 Ų | 105 | 57.3 Ų | 57.3 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -7.3 | -174.2 | -68.4 | 153.6 | -120.6 | 0 | 0 | 113.7 | C368 Y369 G370 P375 | C368-E373 HydrophobicContact CB-CB 3.66Å; Y369-E373 VanDerWaalsContact CB-OE2 3.28Å; Y369-E373 WeakPolarHBondContact CB-OE2 3.48Å; Y369-E373 PolarHBondContact N-OE2 3.43Å; G370-E373 PolarHBondContact O-N 3.06Å; G370-E373 VanDerWaalsContact O-N 3.15Å; E373-P375 WeakPolarHBondContact O-CD 3.35Å |
| 374 | A | 83.3 | Confident | 87.9 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | trans | -70.3 | 118.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | G370 I377 R382 W403 | G370-A374 PolarHBondContact O-N 3.19Å; A374-I377 HydrophobicContact CB-CD1 3.84Å; A374-I377 HydrophobicContact CB-CG1 4.26Å; A374-R382 PolarHBondContact O-NH2 3.33Å; A374-W403 HydrophobicContact CB-CB 4.21Å; A374-W403 HydrophobicContact CB-CE3 4.16Å | ||
| 375 | P | 73.7 | Confident | 88 | Confident | 47 Ų | 47 | 50.6 Ų | 50.6 | 31% | 0.305 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -70.4 | 149.9 | 176.8 | 30 | -33.8 | 0 | 0 | 0 | 110.8 | E373 I377 P404 S407 | E373-P375 WeakPolarHBondContact O-CD 3.35Å; P375-I377 PolarHBondContact O-N 3.27Å; P375-P404 HydrophobicContact CG-CB 3.8Å; P375-S407 VanDerWaalsContact O-CB 3.23Å; P375-S407 WeakPolarHBondContact O-CB 3.49Å; P375-S407 PolarHBondContact O-OG 3.01Å |
| 376 | D | 83.9 | Confident | 88 | Confident | 97 Ų | 97 | 55.2 Ų | 55.2 | 52% | 0.519 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 60 | -3.8 | 170.5 | -43.2 | -41 | 0 | 0 | 0 | 117.7 | S378 L408 Q432 | D376-S378 PolarHBondContact O-N 2.78Å; D376-L408 WeakPolarHBondContact OD2-CD2 3.37Å; D376-Q432 PolarHBondContact O-NE2 3.02Å |
| 377 | I | 88.5 | Confident | 87.8 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | trans | -71.8 | 120.6 | 162.7 | -54.6 | -173.6 | 0 | 0 | 0 | 108.4 | A374 P375 I381 R382 W403 | A374-I377 HydrophobicContact CB-CD1 3.84Å; A374-I377 HydrophobicContact CB-CG1 4.26Å; P375-I377 PolarHBondContact O-N 3.27Å; I377-I381 HydrophobicContact CG2-CB 4.1Å; I377-I381 HydrophobicContact CG2-CG2 3.58Å; I377-R382 HydrophobicContact CG2-CG 4.01Å; I377-R382 PolarHBondContact O-NE 2.91Å; I377-R382 PolarHBondContact O-NH2 3.31Å; I377-W403 HydrophobicContact CD1-CB 4.1Å; I377-W403 HydrophobicContact CD1-CD2 4.31Å; I377-W403 HydrophobicContact CD1-CG 4.01Å | ||
| 378 | S | 90.3 | Very high | 87.7 | Confident | 31 Ų | 31 | 56.1 Ų | 56.1 | 22% | 0.217 | 28% | 0.281 | C | S | . | . | trans | -64 | 154.2 | -179.1 | 62 | 0 | 0 | 0 | 0 | 113.5 | D376 I380 I381 R382 Q432 | D376-S378 PolarHBondContact O-N 2.78Å; S378-I380 PolarHBondContact O-N 3.08Å; S378-I381 PolarHBondContact O-N 3.18Å; S378-I381 WeakPolarHBondContact OG-CB 3.14Å; S378-I381 VanDerWaalsContact OG-CG1 3.31Å; S378-I381 WeakPolarHBondContact OG-CG1 3.35Å; S378-I381 PolarHBondContact OG-N 3.46Å; S378-R382 VanDerWaalsContact O-CG 3.3Å; S378-R382 WeakPolarHBondContact O-CG 3.41Å; S378-R382 PolarHBondContact O-N 2.83Å; S378-Q432 VanDerWaalsContact CB-OE1 3.3Å; S378-Q432 PolarHBondContact OG-OE1 2.94Å | ||
| 379 | T | 89.8 | Confident | 87.4 | Confident | 110 Ų | 110 | 57.3 Ų | 57.3 | 68% | 0.675 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60.3 | -32.5 | 175.7 | 49.1 | 0 | 0 | 0 | 0 | 112.8 | R383 | T379-R383 PolarHBondContact O-N 3.26Å |
| 380 | I | 91.2 | Very high | 87.3 | Confident | 60 Ų | 60 | 52.9 Ų | 52.9 | 31% | 0.308 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.1 | -50.7 | 175.8 | -60.7 | 175.6 | 0 | 0 | 0 | 110.6 | S378 R382 R383 A384 L473 L474 | S378-I380 PolarHBondContact O-N 3.08Å; I380-R382 PolarHBondContact O-N 3.12Å; I380-R383 WeakPolarHBondContact O-CB 3.36Å; I380-R383 PolarHBondContact O-N 3.45Å; I380-R383 VanDerWaalsContact O-N 3.13Å; I380-A384 PolarHBondContact O-N 3.26Å; I380-L473 VanDerWaalsContact CG2-C 3.45Å; I380-L473 HydrophobicContact CG2-CB 3.63Å; I380-L473 WeakPolarHBondContact CG2-O 3.23Å; I380-L474 HydrophobicContact CB-CD2 4.05Å; I380-L474 HydrophobicContact CD1-CD2 4.21Å; I380-L474 HydrophobicContact CG2-CD2 3.81Å; I380-L474 HydrophobicContact CG2-CG 4.23Å |
| 381 | I | 92.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 177.7 | -71.9 | -76.2 | 0 | 0 | 0 | 111.2 | I377 S378 R383 A384 M385 P428 Q432 L470 L474 | I377-I381 HydrophobicContact CG2-CB 4.1Å; I377-I381 HydrophobicContact CG2-CG2 3.58Å; S378-I381 PolarHBondContact O-N 3.18Å; S378-I381 WeakPolarHBondContact OG-CB 3.14Å; S378-I381 VanDerWaalsContact OG-CG1 3.31Å; S378-I381 WeakPolarHBondContact OG-CG1 3.35Å; S378-I381 PolarHBondContact OG-N 3.46Å; I381-R383 VanDerWaalsContact C-N 3.28Å; I381-R383 PolarHBondContact O-N 2.83Å; I381-A384 PolarHBondContact O-N 3.41Å; I381-M385 HydrophobicContact CG2-CG 4.36Å; I381-M385 HydrophobicContact CG2-SD 3.97Å; I381-M385 WeakPolarHBondContact O-CB 3.28Å; I381-M385 VanDerWaalsContact O-CG 3.25Å; I381-M385 WeakPolarHBondContact O-CG 3.35Å; I381-M385 PolarHBondContact O-N 3.17Å; I381-P428 HydrophobicContact CG2-CB 3.67Å; I381-Q432 HydrophobicContact CD1-CB 4.49Å; I381-Q432 HydrophobicContact CG1-CB 4.08Å; I381-Q432 HydrophobicContact CG1-CG 4.26Å; I381-L470 HydrophobicContact CD1-CB 3.93Å; I381-L470 HydrophobicContact CD1-CD2 3.98Å; I381-L470 WeakPolarHBondContact CD1-O 3.25Å; I381-L470 HydrophobicContact CG2-CD2 4.22Å; I381-L474 HydrophobicContact CD1-CD1 4.08Å; I381-L474 HydrophobicContact CD1-CG 4.44Å; I381-L474 HydrophobicContact CG1-CD1 4.41Å; I381-L474 HydrophobicContact CG1-CD2 4.38Å |
| 382 | R | 90.9 | Very high | 86.8 | Confident | 54 Ų | 54 | 62.6 Ų | 62.6 | 20% | 0.204 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.3 | -41.7 | 172.4 | -67.5 | 172 | -154 | -141.9 | 6 | 111.6 | L371 T372 A374 I377 S378 I380 M385 Q386 | L371-R382 HydrophobicContact CB-CG 4.46Å; L371-R382 WeakPolarHBondContact O-CD 3.36Å; L371-R382 VanDerWaalsContact O-CZ 3.28Å; L371-R382 PolarHBondContact O-NE 2.92Å; L371-R382 PolarHBondContact O-NH1 2.84Å; T372-R382 VanDerWaalsContact C-NH1 3.29Å; T372-R382 PolarHBondContact O-NH1 2.98Å; A374-R382 PolarHBondContact O-NH2 3.33Å; I377-R382 HydrophobicContact CG2-CG 4.01Å; I377-R382 PolarHBondContact O-NE 2.91Å; I377-R382 PolarHBondContact O-NH2 3.31Å; S378-R382 VanDerWaalsContact O-CG 3.3Å; S378-R382 WeakPolarHBondContact O-CG 3.41Å; S378-R382 PolarHBondContact O-N 2.83Å; I380-R382 PolarHBondContact O-N 3.12Å; R382-M385 PolarHBondContact O-N 2.97Å; R382-Q386 VanDerWaalsContact O-CG 3.28Å; R382-Q386 WeakPolarHBondContact O-CG 3.49Å; R382-Q386 PolarHBondContact O-N 2.82Å |
| 383 | R | 89 | Confident | 86.5 | Confident | 149 Ų | 149 | 62.2 Ų | 62.2 | 56% | 0.562 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65.8 | -45.3 | 176.7 | -173.9 | -176.8 | -68.4 | 153.1 | -3 | 112.3 | T379 I380 I381 M385 Q386 Q387 L473 | T379-R383 PolarHBondContact O-N 3.26Å; I380-R383 WeakPolarHBondContact O-CB 3.36Å; I380-R383 PolarHBondContact O-N 3.45Å; I380-R383 VanDerWaalsContact O-N 3.13Å; I381-R383 VanDerWaalsContact C-N 3.28Å; I381-R383 PolarHBondContact O-N 2.83Å; R383-M385 VanDerWaalsContact C-N 3.34Å; R383-M385 PolarHBondContact O-N 3.2Å; R383-Q386 PolarHBondContact O-N 3.49Å; R383-Q387 WeakPolarHBondContact O-CG 3.43Å; R383-Q387 PolarHBondContact O-N 3.26Å; R383-L473 HydrophobicContact CG-CD1 4.4Å |
| 384 | A | 91.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.9 | -45 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | I380 I381 Q386 Q387 M388 L470 L473 | I380-A384 PolarHBondContact O-N 3.26Å; I381-A384 PolarHBondContact O-N 3.41Å; A384-Q386 PolarHBondContact O-N 2.61Å; A384-Q387 PolarHBondContact O-N 2.95Å; A384-M388 HydrophobicContact CB-CE 4.15Å; A384-M388 WeakPolarHBondContact O-CE 3.45Å; A384-M388 PolarHBondContact O-N 2.75Å; A384-M388 VanDerWaalsContact O-N 3.09Å; A384-L470 HydrophobicContact CB-CD2 4.05Å; A384-L473 HydrophobicContact CB-CD1 3.79Å; A384-L473 HydrophobicContact CB-CG 4.23Å |
| 385 | M | 92.1 | Very high | 87 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 175.9 | -71.5 | 178.1 | 78.8 | 0 | 0 | 112.3 | L371 I381 R382 R383 M388 G389 V390 W403 W424 P428 L470 | L371-M385 HydrophobicContact CD1-CB 4.06Å; L371-M385 HydrophobicContact CD2-CE 3.63Å; L371-M385 HydrophobicContact CD2-SD 3.72Å; I381-M385 HydrophobicContact CG2-CG 4.36Å; I381-M385 HydrophobicContact CG2-SD 3.97Å; I381-M385 WeakPolarHBondContact O-CB 3.28Å; I381-M385 VanDerWaalsContact O-CG 3.25Å; I381-M385 WeakPolarHBondContact O-CG 3.35Å; I381-M385 PolarHBondContact O-N 3.17Å; R382-M385 PolarHBondContact O-N 2.97Å; R383-M385 VanDerWaalsContact C-N 3.34Å; R383-M385 PolarHBondContact O-N 3.2Å; M385-M388 CarbonylContact O-C 3.57Å; M385-M388 PolarHBondContact O-N 3.18Å; M385-G389 PolarHBondContact O-N 2.56Å; M385-V390 HydrophobicContact CB-CB 4.12Å; M385-V390 HydrophobicContact CE-CB 4.37Å; M385-V390 HydrophobicContact CE-CG1 3.65Å; M385-V390 WeakPolarHBondContact O-CB 3.5Å; M385-V390 PolarHBondContact O-N 3.43Å; M385-W403 HydrophobicContact CE-CH2 3.97Å; M385-W403 HydrophobicContact CE-CZ2 3.49Å; M385-W403 VanDerWaalsContact CE-CZ2 3.49Å; M385-W424 HydrophobicContact CE-CE3 4.2Å; M385-W424 HydrophobicContact CE-CZ3 4.46Å; M385-W424 HydrophobicContact CG-CZ3 4.1Å; M385-P428 HydrophobicContact CE-CB 4.2Å; M385-P428 HydrophobicContact CE-CG 3.42Å; M385-P428 VanDerWaalsContact CE-CG 3.42Å; M385-P428 HydrophobicContact CG-CG 4.34Å; M385-P428 HydrophobicContact SD-CB 3.57Å; M385-P428 VanDerWaalsContact SD-CB 3.57Å; M385-P428 HydrophobicContact SD-CG 3.47Å; M385-P428 WeakPolarHBondContact SD-CG 3.19Å; M385-L470 HydrophobicContact CG-CD2 3.94Å |
| 386 | Q | 88.9 | Confident | 87.9 | Confident | 106 Ų | 106 | 68.2 Ų | 68.2 | 50% | 0.495 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 176.9 | -75.1 | 168.8 | -26.1 | 0 | 0 | 112.6 | L371 R382 R383 A384 M388 G389 | L371-Q386 HydrophobicContact CD1-CG 4.25Å; R382-Q386 VanDerWaalsContact O-CG 3.28Å; R382-Q386 WeakPolarHBondContact O-CG 3.49Å; R382-Q386 PolarHBondContact O-N 2.82Å; R383-Q386 PolarHBondContact O-N 3.49Å; A384-Q386 PolarHBondContact O-N 2.61Å; Q386-M388 PolarHBondContact O-N 2.78Å; Q386-G389 WeakPolarHBondContact O-CA 3.32Å; Q386-G389 PolarHBondContact O-N 3.24Å |
| 387 | Q | 87.9 | Confident | 88.2 | Confident | 119 Ų | 119 | 64.6 Ų | 64.6 | 56% | 0.556 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.2 | -43.8 | 175.3 | -73.4 | 174.7 | -15.5 | 0 | 0 | 111.7 | R383 A384 G389 | R383-Q387 WeakPolarHBondContact O-CG 3.43Å; R383-Q387 PolarHBondContact O-N 3.26Å; A384-Q387 PolarHBondContact O-N 2.95Å; Q387-G389 PolarHBondContact O-N 3.28Å; Q387-G389 VanDerWaalsContact O-N 3.14Å |
| 388 | M | 88.6 | Confident | 88.5 | Confident | 55 Ų | 55 | 64.5 Ų | 64.5 | 27% | 0.271 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 3.8 | 172.5 | -72.2 | 178.2 | -79.9 | 0 | 0 | 114.4 | A384 M385 Q386 V390 W424 T469 L470 | A384-M388 HydrophobicContact CB-CE 4.15Å; A384-M388 WeakPolarHBondContact O-CE 3.45Å; A384-M388 PolarHBondContact O-N 2.75Å; A384-M388 VanDerWaalsContact O-N 3.09Å; M385-M388 CarbonylContact O-C 3.57Å; M385-M388 PolarHBondContact O-N 3.18Å; Q386-M388 PolarHBondContact O-N 2.78Å; M388-V390 VanDerWaalsContact C-N 3.26Å; M388-V390 HydrophobicContact CB-CG2 4.18Å; M388-V390 PolarHBondContact O-N 3.45Å; M388-W424 HydrophobicContact CE-CH2 3.7Å; M388-W424 HydrophobicContact CE-CZ3 4.46Å; M388-W424 HydrophobicContact SD-CH2 3.74Å; M388-W424 HydrophobicContact SD-CZ2 4.08Å; M388-T469 HydrophobicContact CE-CG2 3.75Å; M388-T469 HydrophobicContact CG-CG2 3.87Å; M388-T469 HydrophobicContact SD-CG2 3.7Å; M388-L470 HydrophobicContact CE-CD2 3.78Å; M388-L470 HydrophobicContact CE-CG 3.94Å |
| 389 | G | 86.8 | Confident | 88.7 | Confident | 28 Ų | 28 | 63.1 Ų | 63.1 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 9.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | M385 Q386 Q387 A391 | M385-G389 PolarHBondContact O-N 2.56Å; Q386-G389 WeakPolarHBondContact O-CA 3.32Å; Q386-G389 PolarHBondContact O-N 3.24Å; Q387-G389 PolarHBondContact O-N 3.28Å; Q387-G389 VanDerWaalsContact O-N 3.14Å; G389-A391 PolarHBondContact O-N 3.08Å |
| 390 | V | 87.1 | Confident | 88.9 | Confident | 17 Ų | 17 | 58.4 Ų | 58.4 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | 122.5 | 178.9 | -174.6 | 0 | 0 | 0 | 0 | 109.4 | M385 M388 R392 W424 | M385-V390 HydrophobicContact CB-CB 4.12Å; M385-V390 HydrophobicContact CE-CB 4.37Å; M385-V390 HydrophobicContact CE-CG1 3.65Å; M385-V390 WeakPolarHBondContact O-CB 3.5Å; M385-V390 PolarHBondContact O-N 3.43Å; M388-V390 VanDerWaalsContact C-N 3.26Å; M388-V390 HydrophobicContact CB-CG2 4.18Å; M388-V390 PolarHBondContact O-N 3.45Å; V390-R392 VanDerWaalsContact C-N 3.31Å; V390-R392 PolarHBondContact O-N 2.73Å; V390-W424 HydrophobicContact CG1-CD2 4.31Å; V390-W424 HydrophobicContact CG1-CE3 4.16Å; V390-W424 HydrophobicContact CG2-CD2 3.9Å; V390-W424 HydrophobicContact CG2-CE3 3.97Å; V390-W424 HydrophobicContact CG2-CH2 3.98Å; V390-W424 HydrophobicContact CG2-CZ2 3.88Å; V390-W424 HydrophobicContact CG2-CZ3 4.02Å |
| 391 | A | 82.4 | Confident | 89 | Confident | 19 Ų | 19 | 55.6 Ų | 55.6 | 16% | 0.157 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 36.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | L371 G389 S393 R394 W403 | L371-A391 HydrophobicContact CD1-CB 4.06Å; L371-A391 HydrophobicContact CG-CB 4.09Å; G389-A391 PolarHBondContact O-N 3.08Å; A391-S393 PolarHBondContact O-N 3.02Å; A391-R394 WeakPolarHBondContact CA-O 3.26Å; A391-R394 WeakPolarHBondContact CB-O 3.36Å; A391-W403 HydrophobicContact CB-CH2 3.77Å; A391-W403 HydrophobicContact CB-CZ3 4.42Å |
| 392 | R | 76.8 | Confident | 89.2 | Confident | 201 Ų | 201 | 55.6 Ų | 55.6 | 76% | 0.758 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -44.9 | -37.4 | 176.6 | -76.9 | -178.5 | 175.7 | 169.3 | 3.3 | 114.7 | V390 | V390-R392 VanDerWaalsContact C-N 3.31Å; V390-R392 PolarHBondContact O-N 2.73Å |
| 393 | S | 78.3 | Confident | 89.4 | Confident | 105 Ų | 105 | 53 Ų | 53 | 73% | 0.734 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -119.2 | -29.6 | 179.6 | 57.5 | 0 | 0 | 0 | 0 | 114.5 | A391 | A391-S393 PolarHBondContact O-N 3.02Š|
| 394 | R | 86.9 | Confident | 89.6 | Confident | 150 Ų | 150 | 46.6 Ų | 46.6 | 57% | 0.566 | 23% | 0.226 | S | C | * | . | trans | -164.3 | 154.1 | 178.5 | 63.9 | -172.9 | -178.9 | -173.3 | -0.4 | 112.1 | Y369 A391 | Y369-R394 HydrophobicContact CD1-CB 4.37Å; Y369-R394 HydrophobicContact CE1-CB 3.85Å; A391-R394 WeakPolarHBondContact CA-O 3.26Å; A391-R394 WeakPolarHBondContact CB-O 3.36Å | ||
| 395 | A | 90.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | trans | -69.2 | 143.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y369 Q399 R400 W403 | Y369-A395 WeakPolarHBondContact O-CB 3.42Å; Y369-A395 PolarHBondContact O-N 3.07Å; A395-Q399 HydrophobicContact CB-CB 4.43Å; A395-R400 HydrophobicContact CB-CG 3.95Å; A395-R400 PolarHBondContact O-NE 3.05Å; A395-R400 PolarHBondContact O-NH2 3.29Å; A395-W403 HydrophobicContact CB-CE3 4.1Å; A395-W403 HydrophobicContact CB-CH2 4.03Å; A395-W403 HydrophobicContact CB-CZ3 3.5Å | ||
| 396 | R | 91.9 | Very high | 89.7 | Confident | 128 Ų | 128 | 46.8 Ų | 46.8 | 48% | 0.483 | 23% | 0.227 | S | C | . | . | trans | -74.1 | 155.2 | 176.2 | -58.8 | 179.8 | 170.7 | -166.7 | -7.9 | 110.9 | V398 Q399 R400 Q419 I420 | R396-V398 PolarHBondContact O-N 3.34Å; R396-Q399 HydrophobicContact CB-CG 4.27Å; R396-Q399 VanDerWaalsContact N-OE1 3.12Å; R396-Q399 WeakPolarHBondContact O-CA 3.45Å; R396-Q399 VanDerWaalsContact O-CB 3.3Å; R396-Q399 WeakPolarHBondContact O-CB 3.33Å; R396-Q399 PolarHBondContact O-N 3.2Å; R396-R400 WeakPolarHBondContact O-CG 3.45Å; R396-R400 PolarHBondContact O-N 3.3Å; R396-Q419 PolarHBondContact NH1-O 3.26Å; R396-I420 WeakPolarHBondContact CD-O 3.24Å; R396-I420 VanDerWaalsContact NH1-C 3.35Å; R396-I420 PolarHBondContact NH1-O 2.84Å | ||
| 397 | A | 91.1 | Very high | 89.8 | Confident | 21 Ų | 21 | 42 Ų | 42 | 17% | 0.174 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -49.1 | -52 | -164.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y355 V357 Q399 R400 | Y355-A397 WeakPolarHBondContact O-CB 3.31Å; V357-A397 HydrophobicContact CG2-CB 3.5Å; V357-A397 VanDerWaalsContact CG2-CB 3.5Å; A397-Q399 PolarHBondContact O-N 3.4Å; A397-R400 WeakPolarHBondContact O-CB 3.23Å; A397-R400 PolarHBondContact O-N 3.31Å |
| 398 | V | 93.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.1 | -35.5 | 176.8 | -67.3 | 0 | 0 | 0 | 0 | 113.7 | V357 R396 R400 F401 A402 V414 I420 L596 D598 | V357-V398 HydrophobicContact CG1-CG1 4.27Å; V357-V398 HydrophobicContact CG2-CG1 3.62Å; R396-V398 PolarHBondContact O-N 3.34Å; V398-R400 PolarHBondContact O-N 3.02Å; V398-F401 PolarHBondContact O-N 3.25Å; V398-A402 WeakPolarHBondContact O-CB 3.26Å; V398-A402 PolarHBondContact O-N 3.48Å; V398-V414 HydrophobicContact CB-CG1 4.03Å; V398-V414 HydrophobicContact CG1-CG1 4.02Å; V398-V414 HydrophobicContact CG2-CG1 4.16Å; V398-I420 HydrophobicContact CG1-CD1 4.5Å; V398-I420 HydrophobicContact CG2-CD1 4.47Å; V398-L596 HydrophobicContact CB-CD1 4.11Å; V398-L596 HydrophobicContact CG1-CB 4.3Å; V398-L596 VanDerWaalsContact O-CD1 3.31Å; V398-L596 WeakPolarHBondContact O-CD1 3.15Å; V398-D598 HydrophobicContact CG1-CB 3.81Å |
| 399 | Q | 94.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.009 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.7 | -32.5 | -179.3 | -63.6 | 171.2 | -20.9 | 0 | 0 | 111.8 | A395 R396 A397 F401 A402 W403 G421 W424 S425 | A395-Q399 HydrophobicContact CB-CB 4.43Å; R396-Q399 HydrophobicContact CB-CG 4.27Å; R396-Q399 VanDerWaalsContact N-OE1 3.12Å; R396-Q399 WeakPolarHBondContact O-CA 3.45Å; R396-Q399 VanDerWaalsContact O-CB 3.3Å; R396-Q399 WeakPolarHBondContact O-CB 3.33Å; R396-Q399 PolarHBondContact O-N 3.2Å; A397-Q399 PolarHBondContact O-N 3.4Å; Q399-F401 PolarHBondContact O-N 3.06Å; Q399-A402 PolarHBondContact O-N 3.3Å; Q399-W403 HydrophobicContact CB-CD2 4.07Å; Q399-W403 HydrophobicContact CB-CE3 4.47Å; Q399-W403 HydrophobicContact CB-CH2 4.32Å; Q399-W403 HydrophobicContact CB-CZ2 3.87Å; Q399-W403 HydrophobicContact CG-CZ2 4.08Å; Q399-W403 WeakPolarHBondContact O-CB 3.41Å; Q399-W403 PolarHBondContact O-N 3.48Å; Q399-G421 PolarHBondContact NE2-O 2.88Å; Q399-W424 VanDerWaalsContact NE2-CB 3.32Å; Q399-S425 WeakPolarHBondContact CG-OG 3.3Å |
| 400 | R | 93.8 | Very high | 90.2 | Very high | 12 Ų | 12 | 38.4 Ų | 38.4 | 5% | 0.045 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.8 | -38.8 | 177.5 | -60.2 | -178.7 | 172.1 | -125.4 | -27.6 | 112.9 | Y355 P367 C368 Y369 A395 R396 A397 V398 P404 | Y355-R400 VanDerWaalsContact CD1-NH1 3.33Å; P367-R400 CarbonylContact C-O 3.59Å; P367-R400 WeakPolarHBondContact CA-O 3.44Å; P367-R400 HydrophobicContact CB-CB 4.12Å; C368-R400 PolarHBondContact N-O 3.22Å; C368-R400 WeakPolarHBondContact O-CA 3.42Å; C368-R400 VanDerWaalsContact O-CB 3.23Å; C368-R400 WeakPolarHBondContact O-CB 3.34Å; C368-R400 WeakPolarHBondContact O-CG 3.41Å; C368-R400 PolarHBondContact SG-O 3.29Å; C368-R400 VanDerWaalsContact SG-O 3.41Å; Y369-R400 PolarHBondContact O-NH2 3.27Å; A395-R400 HydrophobicContact CB-CG 3.95Å; A395-R400 PolarHBondContact O-NE 3.05Å; A395-R400 PolarHBondContact O-NH2 3.29Å; R396-R400 WeakPolarHBondContact O-CG 3.45Å; R396-R400 PolarHBondContact O-N 3.3Å; A397-R400 WeakPolarHBondContact O-CB 3.23Å; A397-R400 PolarHBondContact O-N 3.31Å; V398-R400 PolarHBondContact O-N 3.02Å; R400-P404 WeakPolarHBondContact O-CD 3.49Å; R400-P404 VanDerWaalsContact O-CG 3.31Å; R400-P404 WeakPolarHBondContact O-CG 3.42Å |
| 401 | F | 94.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -93.4 | -36.9 | 178.7 | -59.5 | -87 | 0 | 0 | 0 | 111.9 | Y352 N354 Y355 V357 V365 P367 V398 Q399 H405 L594 L596 | Y352-F401 HydrophobicContact CD1-CE1 4.16Å; Y352-F401 HydrophobicContact CG-CD1 4.48Å; Y352-F401 HydrophobicContact CG-CE1 4.03Å; N354-F401 HydrophobicContact CB-CZ 4.14Å; Y355-F401 HydrophobicContact CD2-CE2 4.14Å; Y355-F401 HydrophobicContact CD2-CZ 4.2Å; V357-F401 HydrophobicContact CB-CE2 4.22Å; V357-F401 HydrophobicContact CG1-CD2 4.2Å; V357-F401 HydrophobicContact CG1-CE2 4.16Å; V365-F401 HydrophobicContact CG1-CB 4.26Å; V365-F401 HydrophobicContact CG1-CD1 4.29Å; V365-F401 WeakPolarHBondContact CG1-O 3.42Å; P367-F401 HydrophobicContact CB-CD1 3.84Å; P367-F401 HydrophobicContact CB-CE1 3.81Å; P367-F401 HydrophobicContact CB-CG 4.31Å; P367-F401 HydrophobicContact CB-CZ 4.25Å; P367-F401 HydrophobicContact CG-CD1 4.39Å; P367-F401 HydrophobicContact CG-CE1 3.97Å; P367-F401 HydrophobicContact CG-CZ 4.48Å; V398-F401 PolarHBondContact O-N 3.25Å; Q399-F401 PolarHBondContact O-N 3.06Å; F401-H405 WeakPolarHBondContact O-CB 3.03Å; F401-L594 HydrophobicContact CB-CD2 4.02Å; F401-L594 WeakPolarHBondContact O-CD2 3.35Å; F401-L596 HydrophobicContact CB-CD1 4.07Å; F401-L596 HydrophobicContact CB-CD2 3.79Å; F401-L596 HydrophobicContact CD2-CD2 4.34Å; F401-L596 HydrophobicContact CG-CD2 4.19Å |
| 402 | A | 95.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.8 | -47.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V398 Q399 H405 V406 V412 S425 L596 | V398-A402 WeakPolarHBondContact O-CB 3.26Å; V398-A402 PolarHBondContact O-N 3.48Å; Q399-A402 PolarHBondContact O-N 3.3Å; A402-H405 PolarHBondContact O-N 3.04Å; A402-H405 VanDerWaalsContact O-N 3.12Å; A402-V406 WeakPolarHBondContact O-CB 3.19Å; A402-V406 VanDerWaalsContact O-CG2 3.24Å; A402-V406 WeakPolarHBondContact O-CG2 3.46Å; A402-V406 PolarHBondContact O-N 3.06Å; A402-V412 HydrophobicContact CB-CG2 4.37Å; A402-S425 WeakPolarHBondContact CB-O 3.37Å; A402-L596 HydrophobicContact CB-CD1 3.92Å |
| 403 | W | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -54.4 | -55.5 | -178.9 | -68.1 | -18.5 | 0 | 0 | 0 | 113.4 | L371 A374 I377 M385 A391 A395 Q399 H405 V406 S407 W424 | L371-W403 HydrophobicContact CD2-CE3 4.1Å; L371-W403 HydrophobicContact CD2-CH2 3.52Å; L371-W403 HydrophobicContact CD2-CZ2 4.2Å; L371-W403 HydrophobicContact CD2-CZ3 3.45Å; L371-W403 VanDerWaalsContact CD2-CZ3 3.45Å; L371-W403 HydrophobicContact CG-CH2 3.92Å; L371-W403 HydrophobicContact CG-CZ3 3.82Å; A374-W403 HydrophobicContact CB-CB 4.21Å; A374-W403 HydrophobicContact CB-CE3 4.16Å; I377-W403 HydrophobicContact CD1-CB 4.1Å; I377-W403 HydrophobicContact CD1-CD2 4.31Å; I377-W403 HydrophobicContact CD1-CG 4.01Å; M385-W403 HydrophobicContact CE-CH2 3.97Å; M385-W403 HydrophobicContact CE-CZ2 3.49Å; M385-W403 VanDerWaalsContact CE-CZ2 3.49Å; A391-W403 HydrophobicContact CB-CH2 3.77Å; A391-W403 HydrophobicContact CB-CZ3 4.42Å; A395-W403 HydrophobicContact CB-CE3 4.1Å; A395-W403 HydrophobicContact CB-CH2 4.03Å; A395-W403 HydrophobicContact CB-CZ3 3.5Å; Q399-W403 HydrophobicContact CB-CD2 4.07Å; Q399-W403 HydrophobicContact CB-CE3 4.47Å; Q399-W403 HydrophobicContact CB-CH2 4.32Å; Q399-W403 HydrophobicContact CB-CZ2 3.87Å; Q399-W403 HydrophobicContact CG-CZ2 4.08Å; Q399-W403 WeakPolarHBondContact O-CB 3.41Å; Q399-W403 PolarHBondContact O-N 3.48Å; W403-H405 PolarHBondContact O-N 3.43Å; W403-H405 VanDerWaalsContact O-N 3.17Å; W403-V406 PolarHBondContact O-N 3.36Å; W403-S407 WeakPolarHBondContact O-CB 3.21Å; W403-S407 PolarHBondContact O-N 3.34Å; W403-S407 PolarHBondContact O-OG 2.84Å; W403-W424 PolarHBondContact NE1-O 3.33Å |
| 404 | P | 93.2 | Very high | 93 | Very high | 13 Ų | 13 | 22.1 Ų | 22.1 | 8% | 0.084 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.3 | -12.4 | 179.2 | 26.2 | -35.3 | 0 | 0 | 0 | 114.9 | V365 V366 P375 R400 L408 | V365-P404 HydrophobicContact CG1-CG 4.36Å; V366-P404 VanDerWaalsContact O-CG 3.32Å; V366-P404 WeakPolarHBondContact O-CG 3.44Å; P375-P404 HydrophobicContact CG-CB 3.8Å; R400-P404 WeakPolarHBondContact O-CD 3.49Å; R400-P404 VanDerWaalsContact O-CG 3.31Å; R400-P404 WeakPolarHBondContact O-CG 3.42Å; P404-L408 VanDerWaalsContact O-CD1 3.29Å; P404-L408 WeakPolarHBondContact O-CD1 3.47Å; P404-L408 WeakPolarHBondContact O-CG 3.38Å |
| 405 | H | 93.3 | Very high | 93.4 | Very high | 4 Ų | 4 | 15 Ų | 15 | 2% | 0.019 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -94.1 | -45.9 | 176.4 | -172.7 | 90.8 | 0 | 0 | 0 | 111.7 | S361 H363 V365 F401 A402 W403 L408 K410 S411 D592 L594 | S361-H405 PolarHBondContact OG-NE2 2.93Å; H363-H405 AromaticContact ND1-NE2 3.61Å; V365-H405 HydrophobicContact CG1-CB 4.5Å; V365-H405 HydrophobicContact CG2-CB 4.29Å; V365-H405 WeakPolarHBondContact CG2-CE1 3.39Å; V365-H405 WeakPolarHBondContact CG2-ND1 3.47Å; F401-H405 WeakPolarHBondContact O-CB 3.03Å; A402-H405 PolarHBondContact O-N 3.04Å; A402-H405 VanDerWaalsContact O-N 3.12Å; W403-H405 PolarHBondContact O-N 3.43Å; W403-H405 VanDerWaalsContact O-N 3.17Å; H405-L408 PolarHBondContact O-N 3.37Å; H405-K410 PolarHBondContact O-N 3.27Å; H405-S411 PolarHBondContact CD2-O 3.21Å; H405-D592 PolarHBondContact NE2-O 2.77Å; H405-L594 HydrophobicContact CB-CB 4.48Å; H405-L594 HydrophobicContact CB-CD2 3.67Å; H405-L594 VanDerWaalsContact CD2-CB 3.44Å; H405-L594 WeakPolarHBondContact CD2-CB 3.4Å |
| 406 | V | 93.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -68.1 | -38.8 | -178.8 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | A402 W403 L408 G409 V412 T429 R433 Q569 L571 | A402-V406 WeakPolarHBondContact O-CB 3.19Å; A402-V406 VanDerWaalsContact O-CG2 3.24Å; A402-V406 WeakPolarHBondContact O-CG2 3.46Å; A402-V406 PolarHBondContact O-N 3.06Å; W403-V406 PolarHBondContact O-N 3.36Å; V406-L408 PolarHBondContact O-N 3.4Å; V406-G409 PolarHBondContact O-N 3.22Å; V406-G409 VanDerWaalsContact O-N 3.07Å; V406-V412 HydrophobicContact CG2-CB 3.77Å; V406-V412 HydrophobicContact CG2-CG1 3.62Å; V406-V412 HydrophobicContact CG2-CG2 4.33Å; V406-T429 HydrophobicContact CG1-CG2 4.08Å; V406-R433 PolarHBondContact O-NH1 3.32Å; V406-Q569 PolarHBondContact O-NE2 2.68Å; V406-L571 HydrophobicContact CG1-CD2 4.02Å; V406-L571 HydrophobicContact CG2-CD2 4.15Å |
| 407 | S | 90.3 | Very high | 93.2 | Very high | 7 Ų | 7 | 11.9 Ų | 11.9 | 5% | 0.049 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -17.1 | 177.8 | 69.8 | 0 | 0 | 0 | 0 | 114.1 | P375 W403 R433 | P375-S407 VanDerWaalsContact O-CB 3.23Å; P375-S407 WeakPolarHBondContact O-CB 3.49Å; P375-S407 PolarHBondContact O-OG 3.01Å; W403-S407 WeakPolarHBondContact O-CB 3.21Å; W403-S407 PolarHBondContact O-N 3.34Å; W403-S407 PolarHBondContact O-OG 2.84Å; S407-R433 VanDerWaalsContact C-NH2 3.3Å; S407-R433 PolarHBondContact O-NH2 2.97Å |
| 408 | L | 89.3 | Confident | 92.8 | Very high | 88 Ų | 88 | 15.5 Ų | 15.5 | 46% | 0.461 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 6.3 | 171.7 | -65.3 | 178 | 0 | 0 | 0 | 114.5 | D376 P404 H405 V406 | D376-L408 WeakPolarHBondContact OD2-CD2 3.37Å; P404-L408 VanDerWaalsContact O-CD1 3.29Å; P404-L408 WeakPolarHBondContact O-CD1 3.47Å; P404-L408 WeakPolarHBondContact O-CG 3.38Å; H405-L408 PolarHBondContact O-N 3.37Å; V406-L408 PolarHBondContact O-N 3.4Å |
| 409 | G | 89.3 | Confident | 92.2 | Very high | 9 Ų | 9 | 24 Ų | 24 | 9% | 0.093 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.1 | -1.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | V406 R433 Q569 | V406-G409 PolarHBondContact O-N 3.22Å; V406-G409 VanDerWaalsContact O-N 3.07Å; G409-R433 VanDerWaalsContact CA-NH2 3.34Å; G409-Q569 VanDerWaalsContact C-NE2 3.34Å; G409-Q569 WeakPolarHBondContact O-CG 3.46Å |
| 410 | K | 92.2 | Very high | 91.7 | Very high | 29 Ų | 29 | 25 Ų | 25 | 13% | 0.126 | 13% | 0.128 | C | C | . | . | trans | -98.7 | 145.7 | -162.7 | -55.3 | -172.8 | 178.5 | -168.9 | 0 | 114.4 | H363 H405 Q565 Q569 D592 | H363-K410 PolarHBondContact CD2-NZ 2.85Å; H363-K410 PolarHBondContact CE1-NZ 2.98Å; H363-K410 PolarHBondContact ND1-NZ 2.71Å; H363-K410 PolarHBondContact NE2-NZ 2.79Å; H405-K410 PolarHBondContact O-N 3.27Å; K410-Q565 HydrophobicContact CG-CG 4.3Å; K410-Q569 PolarHBondContact O-NE2 2.8Å; K410-D592 WeakPolarHBondContact CA-OD2 3.3Å; K410-D592 WeakPolarHBondContact CB-OD2 3.22Å | ||
| 411 | S | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -66.4 | 145.1 | -173.3 | -48.2 | 0 | 0 | 0 | 0 | 112.2 | H405 L570 D592 V593 L594 | H405-S411 PolarHBondContact CD2-O 3.21Å; S411-L570 WeakPolarHBondContact CA-O 3.34Å; S411-L570 VanDerWaalsContact CB-O 3.24Å; S411-L570 WeakPolarHBondContact CB-O 3.47Å; S411-D592 WeakPolarHBondContact CB-OD1 3.35Å; S411-D592 PolarHBondContact N-OD1 3.27Å; S411-D592 VanDerWaalsContact N-OD1 3.17Å; S411-D592 PolarHBondContact N-OD2 2.84Å; S411-D592 PolarHBondContact OG-OD1 3.19Å; S411-V593 WeakPolarHBondContact O-CA 3.44Å; S411-L594 PolarHBondContact O-N 3.17Å | ||
| 412 | V | 96 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 138 | 179.6 | 80.7 | 0 | 0 | 0 | 0 | 112.2 | A402 V406 V414 Y426 L570 L571 V572 M590 L594 | A402-V412 HydrophobicContact CB-CG2 4.37Å; V406-V412 HydrophobicContact CG2-CB 3.77Å; V406-V412 HydrophobicContact CG2-CG1 3.62Å; V406-V412 HydrophobicContact CG2-CG2 4.33Å; V412-V414 HydrophobicContact CG1-CG2 4.31Å; V412-V414 HydrophobicContact CG2-CG2 3.93Å; V412-Y426 HydrophobicContact CG1-CD1 4.09Å; V412-L570 PolarHBondContact N-O 2.99Å; V412-L571 HydrophobicContact CG1-CD2 3.73Å; V412-V572 PolarHBondContact O-N 3.18Å; V412-M590 VanDerWaalsContact O-CE 3.3Å; V412-M590 WeakPolarHBondContact O-CE 3.39Å; V412-L594 WeakPolarHBondContact CA-O 3.34Å; V412-L594 HydrophobicContact CG2-CB 4.26Å; V412-L594 HydrophobicContact CG2-CD2 4.29Å; V412-L594 HydrophobicContact CG2-CG 4.34Å; V412-L594 WeakPolarHBondContact CG2-O 3.31Å |
| 413 | L | 96.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 110.3 | 173 | 172.2 | 58.1 | 0 | 0 | 0 | 109.2 | V415 V572 W577 M582 L587 M590 V593 L594 V595 L596 | L413-V415 HydrophobicContact CD1-CG2 4.15Å; L413-V415 HydrophobicContact CG-CG2 4.32Å; L413-V572 WeakPolarHBondContact CA-O 3.41Å; L413-V572 HydrophobicContact CD1-CB 3.72Å; L413-V572 HydrophobicContact CD1-CG1 3.59Å; L413-W577 HydrophobicContact CD2-CH2 4.15Å; L413-W577 HydrophobicContact CD2-CZ3 3.61Å; L413-M582 HydrophobicContact CD1-CE 4.31Å; L413-M582 HydrophobicContact CD1-SD 3.99Å; L413-M582 HydrophobicContact CD2-SD 4.02Å; L413-L587 HydrophobicContact CD2-CD2 3.89Å; L413-L587 HydrophobicContact CD2-CG 4.44Å; L413-M590 HydrophobicContact CB-CE 4.23Å; L413-V593 HydrophobicContact CB-CG2 4.21Å; L413-L594 PolarHBondContact N-O 3.44Å; L413-V595 HydrophobicContact CB-CG2 4.42Å; L413-V595 HydrophobicContact CD2-CG1 4.23Å; L413-V595 HydrophobicContact CD2-CG2 4.42Å; L413-V595 HydrophobicContact CG-CG1 4.31Å; L413-V595 CarbonylContact O-C 3.49Å; L413-V595 WeakPolarHBondContact O-CA 3.13Å; L413-L596 PolarHBondContact O-N 3.07Å |
| 414 | V | 96.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 116.7 | -177.4 | -169.3 | 0 | 0 | 0 | 0 | 110.6 | V398 V412 K422 V572 S573 G574 L596 | V398-V414 HydrophobicContact CB-CG1 4.03Å; V398-V414 HydrophobicContact CG1-CG1 4.02Å; V398-V414 HydrophobicContact CG2-CG1 4.16Å; V412-V414 HydrophobicContact CG1-CG2 4.31Å; V412-V414 HydrophobicContact CG2-CG2 3.93Å; V414-K422 HydrophobicContact CB-CD 4.45Å; V414-K422 HydrophobicContact CB-CG 4.43Å; V414-K422 HydrophobicContact CG1-CB 4.37Å; V414-K422 HydrophobicContact CG1-CD 4.18Å; V414-K422 HydrophobicContact CG1-CG 3.87Å; V414-K422 WeakPolarHBondContact O-CD 3.48Å; V414-V572 PolarHBondContact N-O 3.03Å; V414-S573 CarbonylContact O-C 3.51Å; V414-S573 WeakPolarHBondContact O-CA 3.42Å; V414-G574 PolarHBondContact O-N 2.95Å; V414-L596 HydrophobicContact CG1-CB 4.39Å; V414-L596 HydrophobicContact CG2-CD1 4.34Å |
| 415 | V | 95.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 133.5 | -179.8 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | L413 W577 L596 F597 D598 E602 | L413-V415 HydrophobicContact CD1-CG2 4.15Å; L413-V415 HydrophobicContact CG-CG2 4.32Å; V415-W577 HydrophobicContact CG2-CE3 4.16Å; V415-L596 PolarHBondContact N-O 3.4Å; V415-F597 HydrophobicContact CB-CD1 4.03Å; V415-F597 HydrophobicContact CB-CE1 4.27Å; V415-F597 HydrophobicContact CG1-CD1 4.21Å; V415-F597 HydrophobicContact CG1-CE1 4.42Å; V415-F597 WeakPolarHBondContact O-CA 3.19Å; V415-D598 PolarHBondContact O-N 3.06Å; V415-E602 HydrophobicContact CG1-CB 4.22Å |
| 416 | G | 92.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | 157 | -173.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K422 G574 R575 | G416-K422 PolarHBondContact O-NZ 3.18Å; G416-G574 PolarHBondContact N-O 2.73Å; G416-G574 VanDerWaalsContact N-O 3.13Å; G416-G574 VanDerWaalsContact O-O 3.13Å; G416-R575 WeakPolarHBondContact O-CA 3.25Å | ||
| 417 | N | 86.8 | Confident | 91.7 | Very high | 64 Ų | 64 | 26.4 Ų | 26.4 | 34% | 0.342 | 14% | 0.136 | S | C | . | . | trans | -60.1 | 173.1 | -167.3 | -65.3 | -77.9 | 0 | 0 | 0 | 114.8 | I420 K422 D599 K720 | N417-I420 HydrophobicContact CB-CG2 3.97Å; N417-K422 PolarHBondContact O-NZ 3.3Å; N417-D599 PolarHBondContact ND2-OD2 2.83Å; N417-D599 PolarHBondContact OD1-OD2 2.94Å; N417-K720 PolarHBondContact OD1-NZ 3.09Å | ||
| 418 | L | 81.7 | Confident | 91.9 | Very high | 97 Ų | 97 | 26.1 Ų | 26.1 | 51% | 0.508 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 156.4 | 166.8 | -85.4 | -180 | 0 | 0 | 0 | 110.8 | I420 | L418-I420 PolarHBondContact O-N 2.69Š|
| 419 | Q | 80.9 | Confident | 92 | Very high | 179 Ų | 179 | 22.2 Ų | 22.2 | 84% | 0.836 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 4.9 | 172.5 | -59.4 | -179.7 | 0.5 | 0 | 0 | 117.1 | R396 G421 | R396-Q419 PolarHBondContact NH1-O 3.26Å; Q419-G421 PolarHBondContact O-N 3.37Å |
| 420 | I | 83.9 | Confident | 92.3 | Very high | 23 Ų | 23 | 22 Ų | 22 | 12% | 0.118 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -67.1 | -17.9 | 177 | 69.7 | 171.3 | 0 | 0 | 0 | 113.5 | R396 V398 N417 L418 K422 D598 | R396-I420 WeakPolarHBondContact CD-O 3.24Å; R396-I420 VanDerWaalsContact NH1-C 3.35Å; R396-I420 PolarHBondContact NH1-O 2.84Å; V398-I420 HydrophobicContact CG1-CD1 4.5Å; V398-I420 HydrophobicContact CG2-CD1 4.47Å; N417-I420 HydrophobicContact CB-CG2 3.97Å; L418-I420 PolarHBondContact O-N 2.69Å; I420-K422 HydrophobicContact CD1-CD 4.17Å; I420-K422 HydrophobicContact CD1-CG 3.65Å; I420-K422 HydrophobicContact CG1-CD 4.41Å; I420-K422 HydrophobicContact CG1-CG 3.54Å; I420-D598 HydrophobicContact CD1-CB 3.44Å; I420-D598 VanDerWaalsContact CD1-CB 3.44Å; I420-D598 VanDerWaalsContact CG2-OD2 3.28Å; I420-D598 WeakPolarHBondContact CG2-OD2 3.38Å |
| 421 | G | 88.4 | Confident | 92.4 | Very high | 9 Ų | 9 | 20.6 Ų | 20.6 | 9% | 0.093 | 11% | 0.105 | C | C | . | . | trans | 102.2 | 27.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q399 Q419 W424 S425 | Q399-G421 PolarHBondContact NE2-O 2.88Å; Q419-G421 PolarHBondContact O-N 3.37Å; G421-W424 CarbonylContact O-C 3.54Å; G421-W424 WeakPolarHBondContact O-CB 3.42Å; G421-W424 PolarHBondContact O-N 2.75Å; G421-S425 PolarHBondContact O-N 3.37Å; G421-S425 VanDerWaalsContact O-N 3.08Å; G421-S425 PolarHBondContact O-OG 3.08Å | ||
| 422 | K | 94 | Very high | 92.3 | Very high | 9 Ų | 9 | 21.2 Ų | 21.2 | 4% | 0.039 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -53.2 | -57.7 | 179.4 | -61.8 | -162.8 | -69.7 | -95.3 | 0 | 113.2 | V414 G416 N417 I420 W424 S425 Y426 N538 S573 G574 | V414-K422 HydrophobicContact CB-CD 4.45Å; V414-K422 HydrophobicContact CB-CG 4.43Å; V414-K422 HydrophobicContact CG1-CB 4.37Å; V414-K422 HydrophobicContact CG1-CD 4.18Å; V414-K422 HydrophobicContact CG1-CG 3.87Å; V414-K422 WeakPolarHBondContact O-CD 3.48Å; G416-K422 PolarHBondContact O-NZ 3.18Å; N417-K422 PolarHBondContact O-NZ 3.3Å; I420-K422 HydrophobicContact CD1-CD 4.17Å; I420-K422 HydrophobicContact CD1-CG 3.65Å; I420-K422 HydrophobicContact CG1-CD 4.41Å; I420-K422 HydrophobicContact CG1-CG 3.54Å; K422-W424 VanDerWaalsContact C-N 3.27Å; K422-W424 PolarHBondContact O-N 2.74Å; K422-S425 WeakPolarHBondContact O-CA 3.38Å; K422-S425 WeakPolarHBondContact O-CB 3.3Å; K422-S425 PolarHBondContact O-N 3.06Å; K422-S425 PolarHBondContact O-OG 3.17Å; K422-Y426 WeakPolarHBondContact O-CE1 3.44Å; K422-N538 WeakPolarHBondContact CE-OD1 3.44Å; K422-S573 WeakPolarHBondContact CE-OG 3.42Å; K422-G574 WeakPolarHBondContact CD-O 3.33Å; K422-G574 WeakPolarHBondContact CE-O 3.42Å; K422-G574 PolarHBondContact NZ-O 3.48Å |
| 423 | T | 95.1 | Very high | 92.1 | Very high | 18 Ų | 18 | 24.1 Ų | 24.1 | 11% | 0.11 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -54.1 | -45.6 | 177.8 | -33.6 | 0 | 0 | 0 | 0 | 111.2 | S425 Y426 L427 F452 I463 W466 D537 | T423-S425 PolarHBondContact O-N 3.46Å; T423-S425 VanDerWaalsContact O-N 3.12Å; T423-Y426 PolarHBondContact O-N 3.45Å; T423-L427 HydrophobicContact CG2-CB 4.48Å; T423-L427 HydrophobicContact CG2-CD2 4.4Å; T423-L427 WeakPolarHBondContact O-CB 3.24Å; T423-L427 PolarHBondContact O-N 3.17Å; T423-F452 HydrophobicContact CG2-CZ 3.92Å; T423-I463 HydrophobicContact CG2-CD1 4.08Å; T423-I463 HydrophobicContact CG2-CG1 4.2Å; T423-W466 HydrophobicContact CG2-CZ3 4.41Å; T423-D537 WeakPolarHBondContact CB-OD2 3.48Å; T423-D537 WeakPolarHBondContact CG2-OD2 3.44Å; T423-D537 PolarHBondContact OG1-OD1 3.47Å; T423-D537 PolarHBondContact OG1-OD2 2.92Å |
| 424 | W | 94.6 | Very high | 91.9 | Very high | 23 Ų | 23 | 24.1 Ų | 24.1 | 9% | 0.087 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -65.5 | -8.9 | 175.2 | -77.6 | 106.5 | 0 | 0 | 0 | 115.4 | M385 M388 V390 Q399 W403 G421 K422 Y426 L427 P428 W466 L470 | M385-W424 HydrophobicContact CE-CE3 4.2Å; M385-W424 HydrophobicContact CE-CZ3 4.46Å; M385-W424 HydrophobicContact CG-CZ3 4.1Å; M388-W424 HydrophobicContact CE-CH2 3.7Å; M388-W424 HydrophobicContact CE-CZ3 4.46Å; M388-W424 HydrophobicContact SD-CH2 3.74Å; M388-W424 HydrophobicContact SD-CZ2 4.08Å; V390-W424 HydrophobicContact CG1-CD2 4.31Å; V390-W424 HydrophobicContact CG1-CE3 4.16Å; V390-W424 HydrophobicContact CG2-CD2 3.9Å; V390-W424 HydrophobicContact CG2-CE3 3.97Å; V390-W424 HydrophobicContact CG2-CH2 3.98Å; V390-W424 HydrophobicContact CG2-CZ2 3.88Å; V390-W424 HydrophobicContact CG2-CZ3 4.02Å; Q399-W424 VanDerWaalsContact NE2-CB 3.32Å; W403-W424 PolarHBondContact NE1-O 3.33Å; G421-W424 CarbonylContact O-C 3.54Å; G421-W424 WeakPolarHBondContact O-CB 3.42Å; G421-W424 PolarHBondContact O-N 2.75Å; K422-W424 VanDerWaalsContact C-N 3.27Å; K422-W424 PolarHBondContact O-N 2.74Å; W424-Y426 VanDerWaalsContact C-N 3.25Å; W424-L427 HydrophobicContact CH2-CD2 4.48Å; W424-P428 HydrophobicContact CE3-CG 3.94Å; W424-P428 HydrophobicContact CZ3-CG 4.14Å; W424-W466 HydrophobicContact CH2-CB 4.15Å; W424-W466 HydrophobicContact CH2-CG 4.3Å; W424-W466 HydrophobicContact CZ2-CB 3.87Å; W424-W466 AromaticContact CZ2-CD1 3.76Å; W424-W466 AromaticContact CZ2-CD2 3.81Å; W424-W466 HydrophobicContact CZ2-CD2 3.81Å; W424-W466 HydrophobicContact CZ2-CE3 4.42Å; W424-W466 AromaticContact CZ2-CG 3.55Å; W424-W466 HydrophobicContact CZ2-CG 3.55Å; W424-W466 AromaticContact NE1-CD2 3.87Å; W424-W466 AromaticContact NE1-CE2 3.83Å; W424-W466 AromaticContact NE1-CE3 3.94Å; W424-W466 AromaticContact NE1-CZ2 3.91Å; W424-L470 HydrophobicContact CH2-CD1 4.19Å; W424-L470 HydrophobicContact CH2-CD2 4.46Å; W424-L470 HydrophobicContact CH2-CG 4.43Å; W424-L470 HydrophobicContact CZ3-CD1 4.02Å; W424-L470 HydrophobicContact CZ3-CD2 4.18Å; W424-L470 HydrophobicContact CZ3-CG 4.46Å |
| 425 | S | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -77.6 | -11.8 | 175.5 | -54.5 | 0 | 0 | 0 | 0 | 112.7 | Q399 A402 G421 K422 T423 | Q399-S425 WeakPolarHBondContact CG-OG 3.3Å; A402-S425 WeakPolarHBondContact CB-O 3.37Å; G421-S425 PolarHBondContact O-N 3.37Å; G421-S425 VanDerWaalsContact O-N 3.08Å; G421-S425 PolarHBondContact O-OG 3.08Å; K422-S425 WeakPolarHBondContact O-CA 3.38Å; K422-S425 WeakPolarHBondContact O-CB 3.3Å; K422-S425 PolarHBondContact O-N 3.06Å; K422-S425 PolarHBondContact O-OG 3.17Å; T423-S425 PolarHBondContact O-N 3.46Å; T423-S425 VanDerWaalsContact O-N 3.12Å |
| 426 | Y | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -144.8 | -24.3 | 177.8 | 53.5 | -101.9 | 0 | 0 | 0 | 115.1 | V412 K422 T423 W424 P428 T429 V430 F452 A535 D537 L571 S573 | V412-Y426 HydrophobicContact CG1-CD1 4.09Å; K422-Y426 WeakPolarHBondContact O-CE1 3.44Å; T423-Y426 PolarHBondContact O-N 3.45Å; W424-Y426 VanDerWaalsContact C-N 3.25Å; Y426-P428 VanDerWaalsContact C-N 3.34Å; Y426-T429 WeakPolarHBondContact O-CB 3.4Å; Y426-T429 PolarHBondContact O-N 3.44Å; Y426-V430 HydrophobicContact CD2-CG2 4.17Å; Y426-V430 PolarHBondContact O-N 3.17Å; Y426-F452 AromaticContact CE2-CE2 3.88Å; Y426-F452 HydrophobicContact CE2-CE2 3.88Å; Y426-F452 AromaticContact CE2-CZ 3.92Å; Y426-F452 HydrophobicContact CE2-CZ 3.92Å; Y426-A535 HydrophobicContact CE2-CB 4.13Å; Y426-D537 WeakPolarHBondContact OH-CB 3.46Å; Y426-D537 PolarHBondContact OH-OD1 2.91Å; Y426-L571 HydrophobicContact CD1-CB 4.41Å; Y426-L571 HydrophobicContact CD2-CB 4.24Å; Y426-L571 HydrophobicContact CD2-CD1 3.67Å; Y426-L571 HydrophobicContact CE2-CB 4.44Å; Y426-L571 HydrophobicContact CE2-CD1 4.46Å; Y426-L571 HydrophobicContact CG-CB 4.22Å; Y426-L571 HydrophobicContact CG-CD1 3.86Å; Y426-L571 HydrophobicContact CG-CD2 4.48Å; Y426-L571 HydrophobicContact CG-CG 4.44Å; Y426-S573 WeakPolarHBondContact OH-CB 3.42Å |
| 427 | L | 95.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -49 | -41.7 | -179.6 | -177 | 66.8 | 0 | 0 | 0 | 115 | T423 W424 T429 V430 C431 F452 I463 W466 M467 L470 | T423-L427 HydrophobicContact CG2-CB 4.48Å; T423-L427 HydrophobicContact CG2-CD2 4.4Å; T423-L427 WeakPolarHBondContact O-CB 3.24Å; T423-L427 PolarHBondContact O-N 3.17Å; W424-L427 HydrophobicContact CH2-CD2 4.48Å; L427-T429 VanDerWaalsContact C-N 3.33Å; L427-T429 PolarHBondContact O-N 3.05Å; L427-V430 PolarHBondContact O-N 2.77Å; L427-C431 PolarHBondContact O-N 2.71Å; L427-C431 PolarHBondContact O-SG 3.43Å; L427-F452 HydrophobicContact CD1-CE2 3.92Å; L427-I463 HydrophobicContact CD1-CG2 4.31Å; L427-W466 HydrophobicContact CD2-CB 3.77Å; L427-W466 HydrophobicContact CD2-CE3 4.02Å; L427-M467 HydrophobicContact CD1-CE 3.64Å; L427-M467 HydrophobicContact CD1-CG 3.81Å; L427-L470 HydrophobicContact CD2-CD1 4.2Å; L427-L470 HydrophobicContact CG-CD1 3.88Å |
| 428 | P | 94.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.4 | -44.1 | 176.9 | -23.1 | 34.1 | 0 | 0 | 0 | 112.9 | I381 M385 W424 Y426 Q432 | I381-P428 HydrophobicContact CG2-CB 3.67Å; M385-P428 HydrophobicContact CE-CB 4.2Å; M385-P428 HydrophobicContact CE-CG 3.42Å; M385-P428 VanDerWaalsContact CE-CG 3.42Å; M385-P428 HydrophobicContact CG-CG 4.34Å; M385-P428 HydrophobicContact SD-CB 3.57Å; M385-P428 VanDerWaalsContact SD-CB 3.57Å; M385-P428 HydrophobicContact SD-CG 3.47Å; M385-P428 WeakPolarHBondContact SD-CG 3.19Å; W424-P428 HydrophobicContact CE3-CG 3.94Å; W424-P428 HydrophobicContact CZ3-CG 4.14Å; Y426-P428 VanDerWaalsContact C-N 3.34Å; P428-Q432 WeakPolarHBondContact O-CB 3.44Å; P428-Q432 PolarHBondContact O-N 3.35Å |
| 429 | T | 92.6 | Very high | 91.9 | Very high | 6 Ų | 6 | 25.4 Ų | 25.4 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -69.8 | -37.2 | 178.9 | -43.6 | 0 | 0 | 0 | 0 | 111.7 | V406 Y426 L427 R433 | V406-T429 HydrophobicContact CG1-CG2 4.08Å; Y426-T429 WeakPolarHBondContact O-CB 3.4Å; Y426-T429 PolarHBondContact O-N 3.44Å; L427-T429 VanDerWaalsContact C-N 3.33Å; L427-T429 PolarHBondContact O-N 3.05Å; T429-R433 HydrophobicContact CG2-CG 4.36Å; T429-R433 WeakPolarHBondContact O-CB 3.46Å; T429-R433 WeakPolarHBondContact O-CG 3.32Å; T429-R433 PolarHBondContact O-N 3.16Å |
| 430 | V | 94.7 | Very high | 92.3 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.024 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.8 | -50.2 | 174.6 | 174.8 | 0 | 0 | 0 | 0 | 110.4 | Y426 L427 S434 C450 F452 I505 L571 | Y426-V430 HydrophobicContact CD2-CG2 4.17Å; Y426-V430 PolarHBondContact O-N 3.17Å; L427-V430 PolarHBondContact O-N 2.77Å; V430-S434 WeakPolarHBondContact O-CB 3.33Å; V430-S434 PolarHBondContact O-N 3.06Å; V430-C450 HydrophobicContact CG1-CB 4.16Å; V430-F452 HydrophobicContact CG1-CD2 4.46Å; V430-I505 HydrophobicContact CG1-CD1 4.26Å; V430-L571 HydrophobicContact CG2-CD1 3.35Å |
| 431 | C | 95 | Very high | 92.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61 | -48.6 | 178.1 | -66.7 | 0 | 0 | 0 | 0 | 111.9 | L427 R433 S434 H435 L470 L471 | L427-C431 PolarHBondContact O-N 2.71Å; L427-C431 PolarHBondContact O-SG 3.43Å; C431-R433 PolarHBondContact O-N 2.57Å; C431-S434 PolarHBondContact O-N 2.94Å; C431-H435 WeakPolarHBondContact O-CB 3.24Å; C431-H435 PolarHBondContact O-N 3.5Å; C431-L470 HydrophobicContact CB-CB 3.89Å; C431-L470 HydrophobicContact CB-CD1 4.1Å; C431-L470 VanDerWaalsContact SG-CD1 3.55Å; C431-L471 HydrophobicContact CB-CD2 3.94Å; C431-L471 HydrophobicContact CB-CG 4.07Å; C431-L471 WeakPolarHBondContact O-CD2 3.28Å |
| 432 | Q | 92.9 | Very high | 92.2 | Very high | 14 Ų | 14 | 28.5 Ų | 28.5 | 7% | 0.065 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.3 | -50.3 | -178.8 | -167.7 | -177.5 | -57.3 | 0 | 0 | 112.1 | D376 S378 I381 P428 H435 E436 | D376-Q432 PolarHBondContact O-NE2 3.02Å; S378-Q432 VanDerWaalsContact CB-OE1 3.3Å; S378-Q432 PolarHBondContact OG-OE1 2.94Å; I381-Q432 HydrophobicContact CD1-CB 4.49Å; I381-Q432 HydrophobicContact CG1-CB 4.08Å; I381-Q432 HydrophobicContact CG1-CG 4.26Å; P428-Q432 WeakPolarHBondContact O-CB 3.44Å; P428-Q432 PolarHBondContact O-N 3.35Å; Q432-H435 PolarHBondContact O-N 2.78Å; Q432-E436 HydrophobicContact CG-CG 4.41Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.31Å; Q432-E436 PolarHBondContact NE2-OE1 2.56Å; Q432-E436 WeakPolarHBondContact O-CB 3.35Å; Q432-E436 WeakPolarHBondContact O-CG 3.35Å; Q432-E436 PolarHBondContact O-N 2.72Å |
| 433 | R | 91.1 | Very high | 91.5 | Very high | 60 Ų | 60 | 34.3 Ų | 34.3 | 23% | 0.226 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69 | -40.9 | -179.1 | -72.2 | 177.5 | 170.4 | -177.7 | -13.5 | 112.8 | V406 S407 G409 T429 C431 H435 E436 D437 | V406-R433 PolarHBondContact O-NH1 3.32Å; S407-R433 VanDerWaalsContact C-NH2 3.3Å; S407-R433 PolarHBondContact O-NH2 2.97Å; G409-R433 VanDerWaalsContact CA-NH2 3.34Å; T429-R433 HydrophobicContact CG2-CG 4.36Å; T429-R433 WeakPolarHBondContact O-CB 3.46Å; T429-R433 WeakPolarHBondContact O-CG 3.32Å; T429-R433 PolarHBondContact O-N 3.16Å; C431-R433 PolarHBondContact O-N 2.57Å; R433-H435 PolarHBondContact O-N 2.66Å; R433-E436 PolarHBondContact O-N 3.28Å; R433-D437 WeakPolarHBondContact O-CB 3.4Å; R433-D437 PolarHBondContact O-N 3.25Å |
| 434 | S | 93.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -53.8 | -46 | 174.9 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | V430 C431 L438 G504 I505 | V430-S434 WeakPolarHBondContact O-CB 3.33Å; V430-S434 PolarHBondContact O-N 3.06Å; C431-S434 PolarHBondContact O-N 2.94Å; S434-L438 WeakPolarHBondContact O-CB 3.31Å; S434-L438 PolarHBondContact O-N 3.48Å; S434-G504 WeakPolarHBondContact OG-CA 3.39Å; S434-G504 PolarHBondContact OG-O 2.77Å; S434-I505 WeakPolarHBondContact OG-CG1 3.35Å; S434-I505 PolarHBondContact OG-N 3.08Å |
| 435 | H | 92.5 | Very high | 90.3 | Very high | 18 Ų | 18 | 39.3 Ų | 39.3 | 8% | 0.083 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.6 | -52.5 | 177.4 | -179 | 83.9 | 0 | 0 | 0 | 112.2 | C431 Q432 R433 D437 L438 Q439 L471 L474 G475 D482 | C431-H435 WeakPolarHBondContact O-CB 3.24Å; C431-H435 PolarHBondContact O-N 3.5Å; Q432-H435 PolarHBondContact O-N 2.78Å; R433-H435 PolarHBondContact O-N 2.66Å; H435-D437 VanDerWaalsContact C-N 3.32Å; H435-D437 PolarHBondContact O-N 3.36Å; H435-L438 WeakPolarHBondContact O-CB 3.35Å; H435-L438 PolarHBondContact O-N 3.15Å; H435-L438 VanDerWaalsContact O-N 3.09Å; H435-Q439 PolarHBondContact CE1-NE2 3.2Å; H435-Q439 WeakPolarHBondContact O-CG 3.49Å; H435-Q439 PolarHBondContact O-N 3.32Å; H435-L471 HydrophobicContact CB-CD2 3.88Å; H435-L474 HydrophobicContact CB-CD1 3.87Å; H435-G475 PolarHBondContact CE1-O 3.44Å; H435-D482 IonicContact CE1-OD1 2.75Å; H435-D482 IonicContact CG-OD1 2.68Å; H435-D482 IonicContact ND1-OD1 2.73Å; H435-D482 PolarHBondContact ND1-OD1 3.04Å |
| 436 | E | 90.9 | Very high | 90 | Very high | 65 Ų | 65 | 44 Ų | 44 | 30% | 0.304 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -53.3 | -45.1 | 179.4 | -85.7 | -171 | -130.6 | 0 | 0 | 113 | Q432 R433 R440 | Q432-E436 HydrophobicContact CG-CG 4.41Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.31Å; Q432-E436 PolarHBondContact NE2-OE1 2.56Å; Q432-E436 WeakPolarHBondContact O-CB 3.35Å; Q432-E436 WeakPolarHBondContact O-CG 3.35Å; Q432-E436 PolarHBondContact O-N 2.72Å; R433-E436 PolarHBondContact O-N 3.28Å; E436-R440 WeakPolarHBondContact O-CD 3.23Å; E436-R440 WeakPolarHBondContact O-CG 3.22Å; E436-R440 PolarHBondContact O-NE 2.76Å; E436-R440 IonicContact OE2-CZ 2.69Å; E436-R440 IonicContact OE2-NH1 3.5Å; E436-R440 PolarHBondContact OE2-NH1 2.98Å; E436-R440 IonicContact OE2-NH2 2.84Å; E436-R440 PolarHBondContact OE2-NH2 2.75Å |
| 437 | D | 90.6 | Very high | 89.9 | Confident | 39 Ų | 39 | 44 Ų | 44 | 21% | 0.209 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -77.7 | -30.7 | 178.3 | -74.8 | -29.3 | 0 | 0 | 0 | 111.9 | R433 H435 Q439 R440 R441 T449 | R433-D437 WeakPolarHBondContact O-CB 3.4Å; R433-D437 PolarHBondContact O-N 3.25Å; H435-D437 VanDerWaalsContact C-N 3.32Å; H435-D437 PolarHBondContact O-N 3.36Å; D437-Q439 VanDerWaalsContact C-N 3.33Å; D437-Q439 PolarHBondContact O-N 2.96Å; D437-R440 CarbonylContact O-C 3.55Å; D437-R440 WeakPolarHBondContact O-CA 3.21Å; D437-R440 WeakPolarHBondContact O-CB 3.42Å; D437-R440 PolarHBondContact O-N 3.04Å; D437-R440 IonicContact OD1-CZ 2.68Å; D437-R440 IonicContact OD1-NH1 3.63Å; D437-R440 PolarHBondContact OD1-NH1 3.32Å; D437-R441 VanDerWaalsContact O-CG 3.29Å; D437-R441 WeakPolarHBondContact O-CG 3.28Å; D437-R441 PolarHBondContact O-N 2.74Å; D437-T449 HydrophobicContact CB-CG2 3.77Å |
| 438 | L | 91.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.2 | -40.2 | 171.2 | -177.4 | 64.1 | 0 | 0 | 0 | 111.8 | S434 H435 R440 R441 F480 P502 | S434-L438 WeakPolarHBondContact O-CB 3.31Å; S434-L438 PolarHBondContact O-N 3.48Å; H435-L438 WeakPolarHBondContact O-CB 3.35Å; H435-L438 PolarHBondContact O-N 3.15Å; H435-L438 VanDerWaalsContact O-N 3.09Å; L438-R440 PolarHBondContact O-N 3.22Å; L438-R441 PolarHBondContact O-N 3.43Å; L438-F480 HydrophobicContact CD1-CB 3.9Å; L438-F480 HydrophobicContact CD1-CD2 3.78Å; L438-F480 HydrophobicContact CD1-CG 4.18Å; L438-F480 HydrophobicContact CD2-CB 4.04Å; L438-F480 HydrophobicContact CG-CB 4.2Å; L438-F480 HydrophobicContact CG-CD2 4.2Å; L438-P502 HydrophobicContact CD1-CB 3.82Å |
| 439 | Q | 88.3 | Confident | 89.9 | Confident | 67 Ų | 67 | 44 Ų | 44 | 31% | 0.313 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.6 | 172.5 | -60.1 | -45.2 | -55.1 | 0 | 0 | 113.2 | H435 D437 S478 | H435-Q439 PolarHBondContact CE1-NE2 3.2Å; H435-Q439 WeakPolarHBondContact O-CG 3.49Å; H435-Q439 PolarHBondContact O-N 3.32Å; D437-Q439 VanDerWaalsContact C-N 3.33Å; D437-Q439 PolarHBondContact O-N 2.96Å; Q439-S478 PolarHBondContact NE2-OG 3.15Å; Q439-S478 VanDerWaalsContact OE1-CB 3.3Å |
| 440 | R | 88.6 | Confident | 90.1 | Very high | 156 Ų | 156 | 43.8 Ų | 43.8 | 59% | 0.589 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -3 | 178.4 | -60.8 | 165.2 | -169.1 | 138.5 | 6.6 | 113.2 | E436 D437 L438 | E436-R440 WeakPolarHBondContact O-CD 3.23Å; E436-R440 WeakPolarHBondContact O-CG 3.22Å; E436-R440 PolarHBondContact O-NE 2.76Å; E436-R440 IonicContact OE2-CZ 2.69Å; E436-R440 IonicContact OE2-NH1 3.5Å; E436-R440 PolarHBondContact OE2-NH1 2.98Å; E436-R440 IonicContact OE2-NH2 2.84Å; E436-R440 PolarHBondContact OE2-NH2 2.75Å; D437-R440 CarbonylContact O-C 3.55Å; D437-R440 WeakPolarHBondContact O-CA 3.21Å; D437-R440 WeakPolarHBondContact O-CB 3.42Å; D437-R440 PolarHBondContact O-N 3.04Å; D437-R440 IonicContact OD1-CZ 2.68Å; D437-R440 IonicContact OD1-NH1 3.63Å; D437-R440 PolarHBondContact OD1-NH1 3.32Å; L438-R440 PolarHBondContact O-N 3.22Å |
| 441 | R | 86.9 | Confident | 90.2 | Very high | 31 Ų | 31 | 43.7 Ų | 43.7 | 12% | 0.117 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -84.1 | 140.1 | -179 | -64.7 | -160.6 | 71.8 | -166.5 | 0.8 | 111.4 | D437 L438 R446 G447 P502 D527 | D437-R441 VanDerWaalsContact O-CG 3.29Å; D437-R441 WeakPolarHBondContact O-CG 3.28Å; D437-R441 PolarHBondContact O-N 2.74Å; L438-R441 PolarHBondContact O-N 3.43Å; R441-R446 PolarHBondContact NH1-O 2.97Å; R441-R446 PolarHBondContact NH2-O 2.84Å; R441-G447 PolarHBondContact NH1-O 3.46Å; R441-P502 HydrophobicContact CB-CB 4.25Å; R441-D527 IonicContact NH2-OD2 2.69Å; R441-D527 PolarHBondContact NH2-OD2 3.26Å |
| 442 | P | 83.1 | Confident | 90.4 | Very high | 89 Ų | 89 | 43.8 Ų | 43.8 | 58% | 0.578 | 21% | 0.214 | S | C | * | . | trans | -73 | 152.7 | 170.2 | 32.2 | -35.3 | 0 | 0 | 0 | 111 | V444 G445 P502 | P442-V444 PolarHBondContact O-N 2.99Å; P442-V444 VanDerWaalsContact O-N 3.11Å; P442-G445 WeakPolarHBondContact O-CA 3.32Å; P442-G445 PolarHBondContact O-N 3.41Å; P442-P502 WeakPolarHBondContact O-CG 2.37Å | ||
| 443 | D | 79.1 | Confident | 90.6 | Very high | 131 Ų | 131 | 43.1 Ų | 43.1 | 70% | 0.701 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -26.4 | -179.5 | -52.9 | -4.4 | 0 | 0 | 0 | 114.2 | G445 F480 | D443-G445 PolarHBondContact O-N 3.29Å; D443-F480 HydrophobicContact CB-CZ 4.37Å |
| 444 | V | 81.3 | Confident | 90.8 | Very high | 136 Ų | 136 | 40.2 Ų | 40.2 | 82% | 0.824 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -2.6 | 176.7 | -161.7 | 0 | 0 | 0 | 0 | 111.9 | P442 | P442-V444 PolarHBondContact O-N 2.99Å; P442-V444 VanDerWaalsContact O-N 3.11Å |
| 445 | G | 83.5 | Confident | 90.7 | Very high | 9 Ų | 9 | 41 Ų | 41 | 9% | 0.093 | 21% | 0.205 | C | C | . | . | trans | -67.8 | 165.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P442 D443 K501 P502 | P442-G445 WeakPolarHBondContact O-CA 3.32Å; P442-G445 PolarHBondContact O-N 3.41Å; D443-G445 PolarHBondContact O-N 3.29Å; G445-K501 CarbonylContact O-C 3.52Å; G445-P502 WeakPolarHBondContact O-CD 3.31Å | ||
| 446 | R | 89.5 | Confident | 90.5 | Very high | 99 Ų | 99 | 43.4 Ų | 43.4 | 37% | 0.374 | 22% | 0.219 | S | C | . | . | trans | -150.4 | 160.6 | -177.1 | 65.1 | -163.7 | -173.4 | -95.3 | -2.6 | 112.8 | R441 K500 K501 G523 D527 | R441-R446 PolarHBondContact NH1-O 2.97Å; R441-R446 PolarHBondContact NH2-O 2.84Å; R446-K500 WeakPolarHBondContact CB-O 3.42Å; R446-K501 CarbonylContact C-O 3.49Å; R446-K501 WeakPolarHBondContact CA-O 3.27Å; R446-G523 PolarHBondContact NE-O 3.32Å; R446-G523 PolarHBondContact NH2-O 3.49Å; R446-D527 HydrophobicContact CG-CB 4.38Å | ||
| 447 | G | 92.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 68.9 | 178.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R441 L499 K501 V503 I525 | R441-G447 PolarHBondContact NH1-O 3.46Å; G447-L499 WeakPolarHBondContact CA-O 3.15Å; G447-L499 PolarHBondContact N-O 3.06Å; G447-K501 PolarHBondContact N-O 3.43Å; G447-K501 VanDerWaalsContact N-O 3.12Å; G447-V503 PolarHBondContact O-N 2.89Å; G447-V503 VanDerWaalsContact O-N 3.14Å; G447-I525 WeakPolarHBondContact CA-O 3.44Å |
| 448 | P | 95.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 153 | -176.7 | 33.8 | -33.1 | 0 | 0 | 0 | 112.4 | I451 V503 L506 F526 V531 | P448-I451 HydrophobicContact CG-CD1 4.37Å; P448-I451 HydrophobicContact CG-CG1 3.75Å; P448-V503 CarbonylContact C-O 3.55Å; P448-V503 VanDerWaalsContact CA-O 3.3Å; P448-V503 WeakPolarHBondContact CA-O 3.42Å; P448-V503 HydrophobicContact CB-CG1 4.46Å; P448-L506 HydrophobicContact CB-CB 3.78Å; P448-L506 HydrophobicContact CG-CB 3.86Å; P448-L506 HydrophobicContact CG-CD2 4.4Å; P448-F526 HydrophobicContact CG-CD1 4.16Å; P448-F526 HydrophobicContact CG-CE1 4.03Å; P448-V531 HydrophobicContact CG-CG2 4.43Å; P448-V531 WeakPolarHBondContact O-CG2 2.95Å |
| 449 | T | 94.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | -33.2 | 164.4 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | D437 V503 G504 V531 K532 | D437-T449 HydrophobicContact CB-CG2 3.77Å; T449-V503 PolarHBondContact N-O 2.83Å; T449-V503 PolarHBondContact OG1-O 2.94Å; T449-G504 PolarHBondContact N-O 2.86Å; T449-V531 CarbonylContact O-C 3.55Å; T449-V531 WeakPolarHBondContact O-CA 3.44Å; T449-K532 HydrophobicContact CG2-CG 4.15Å; T449-K532 PolarHBondContact O-N 3.45Å |
| 450 | C | 96.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 136.6 | 179.3 | -66.4 | 0 | 0 | 0 | 0 | 111.8 | V430 G504 I505 L506 C533 | V430-C450 HydrophobicContact CG1-CB 4.16Å; C450-G504 PolarHBondContact N-O 2.86Å; C450-I505 HydrophobicContact CB-CG1 4.31Å; C450-I505 HydrophobicContact CB-CG2 4.46Å; C450-I505 CarbonylContact O-C 3.59Å; C450-I505 WeakPolarHBondContact O-CA 3.22Å; C450-L506 PolarHBondContact O-N 2.85Å; C450-C533 WeakPolarHBondContact CA-O 3.38Å; C450-C533 HydrophobicContact CB-CB 4.39Å |
| 451 | I | 97.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 128.5 | 172.5 | -57.2 | 175.5 | 0 | 0 | 0 | 108.5 | P448 V453 L513 F526 V531 C533 I534 A535 F561 | P448-I451 HydrophobicContact CG-CD1 4.37Å; P448-I451 HydrophobicContact CG-CG1 3.75Å; I451-V453 HydrophobicContact CG2-CG2 4.17Å; I451-L513 HydrophobicContact CG2-CD1 4.19Å; I451-L513 HydrophobicContact CG2-CD2 3.83Å; I451-F526 HydrophobicContact CD1-CD1 4.02Å; I451-F526 HydrophobicContact CD1-CE1 3.8Å; I451-F526 HydrophobicContact CG1-CE1 4.47Å; I451-V531 HydrophobicContact CD1-CG1 4.12Å; I451-V531 HydrophobicContact CD1-CG2 4.13Å; I451-V531 HydrophobicContact CG1-CG1 4.15Å; I451-V531 HydrophobicContact CG1-CG2 4.39Å; I451-C533 PolarHBondContact N-O 3.38Å; I451-I534 HydrophobicContact CB-CG1 4.28Å; I451-I534 CarbonylContact O-C 3.57Å; I451-I534 VanDerWaalsContact O-CA 3.32Å; I451-I534 WeakPolarHBondContact O-CA 3.46Å; I451-A535 PolarHBondContact O-N 3.08Å; I451-F561 HydrophobicContact CD1-CE1 4.44Å; I451-F561 HydrophobicContact CD1-CE2 4.24Å; I451-F561 HydrophobicContact CD1-CZ 3.78Å |
| 452 | F | 98.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 118 | 179.2 | -155.2 | -64.7 | 0 | 0 | 0 | 109.8 | T423 Y426 L427 V430 I463 M467 I505 L506 L507 T508 A535 D537 | T423-F452 HydrophobicContact CG2-CZ 3.92Å; Y426-F452 AromaticContact CE2-CE2 3.88Å; Y426-F452 HydrophobicContact CE2-CE2 3.88Å; Y426-F452 AromaticContact CE2-CZ 3.92Å; Y426-F452 HydrophobicContact CE2-CZ 3.92Å; L427-F452 HydrophobicContact CD1-CE2 3.92Å; V430-F452 HydrophobicContact CG1-CD2 4.46Å; F452-I463 HydrophobicContact CD1-CG2 4.46Å; F452-I463 HydrophobicContact CE1-CD1 3.8Å; F452-I463 HydrophobicContact CE1-CG2 4.06Å; F452-I463 HydrophobicContact CE2-CG2 4.47Å; F452-I463 HydrophobicContact CZ-CD1 4.26Å; F452-I463 HydrophobicContact CZ-CG2 4.06Å; F452-M467 HydrophobicContact CB-CE 4Å; F452-M467 HydrophobicContact CD1-CE 4.37Å; F452-M467 HydrophobicContact CD2-CE 3.26Å; F452-M467 HydrophobicContact CE2-CE 3.76Å; F452-M467 HydrophobicContact CG-CE 3.62Å; F452-M467 HydrophobicContact CZ-CE 4.49Å; F452-I505 HydrophobicContact CB-CG2 3.98Å; F452-L506 PolarHBondContact N-O 2.76Å; F452-L507 HydrophobicContact CB-CB 4.35Å; F452-L507 HydrophobicContact CB-CD1 3.89Å; F452-L507 HydrophobicContact CD1-CD1 3.55Å; F452-L507 HydrophobicContact CE1-CD1 4.43Å; F452-L507 HydrophobicContact CG-CD1 3.98Å; F452-L507 WeakPolarHBondContact O-CA 3.49Å; F452-T508 PolarHBondContact O-N 2.87Å; F452-A535 HydrophobicContact CD1-CB 4.41Å; F452-A535 HydrophobicContact CD2-CB 3.56Å; F452-A535 HydrophobicContact CE2-CB 3.72Å; F452-A535 HydrophobicContact CG-CB 3.94Å; F452-A535 HydrophobicContact CZ-CB 4.2Å; F452-D537 HydrophobicContact CE1-CB 3.7Å; F452-D537 HydrophobicContact CZ-CB 4.04Å |
| 453 | V | 98 | Very high | 92 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 133.9 | -179.9 | -167.7 | 0 | 0 | 0 | 0 | 109 | I451 T508 V510 L513 A535 L536 D537 M542 | I451-V453 HydrophobicContact CG2-CG2 4.17Å; V453-T508 WeakPolarHBondContact CA-O 3.34Å; V453-V510 HydrophobicContact CG1-CG2 3.76Å; V453-L513 HydrophobicContact CG2-CD2 3.54Å; V453-A535 PolarHBondContact N-O 2.95Å; V453-L536 HydrophobicContact CB-CD2 3.85Å; V453-L536 HydrophobicContact CG2-CD2 3.84Å; V453-D537 PolarHBondContact O-N 2.73Å; V453-M542 HydrophobicContact CB-CE 4.06Å; V453-M542 HydrophobicContact CG1-CE 3.95Å; V453-M542 HydrophobicContact CG1-SD 3.99Å; V453-M542 VanDerWaalsContact O-CE 3.22Å; V453-M542 WeakPolarHBondContact O-CE 3.27Å |
| 454 | C | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -133.9 | 167.2 | 173.7 | 75.9 | 0 | 0 | 0 | 0 | 110.7 | N456 G460 I463 W487 T508 | C454-N456 PolarHBondContact O-N 2.8Å; C454-N456 PolarHBondContact SG-O 3.34Å; C454-N456 VanDerWaalsContact SG-O 3.34Å; C454-G460 VanDerWaalsContact SG-CA 3.55Å; C454-I463 HydrophobicContact CB-CD1 4.31Å; C454-W487 WeakPolarHBondContact SG-CH2 2.95Å; C454-T508 PolarHBondContact N-O 3.02Å | ||
| 455 | P | 90.8 | Very high | 93.4 | Very high | 15 Ų | 15 | 38.2 Ų | 38.2 | 10% | 0.097 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -75.8 | -20 | -170.3 | -15.4 | 31 | 0 | 0 | 0 | 114.9 | Q459 D537 N538 D541 M542 | P455-Q459 VanDerWaalsContact CD-OE1 3.22Å; P455-D537 WeakPolarHBondContact CD-O 3.44Å; P455-N538 HydrophobicContact CG-CB 3.89Å; P455-D541 HydrophobicContact CB-CB 3.74Å; P455-D541 HydrophobicContact CG-CB 3.54Å; P455-M542 HydrophobicContact CB-CG 4.24Å; P455-M542 HydrophobicContact CG-CG 4.08Å |
| 456 | N | 89.1 | Confident | 93.9 | Very high | 70 Ų | 70 | 40.8 Ų | 40.8 | 37% | 0.374 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -166.2 | 159.5 | -178.3 | 57.2 | 77.1 | 0 | 0 | 0 | 112.3 | C454 G458 Q459 G460 | C454-N456 PolarHBondContact O-N 2.8Å; C454-N456 PolarHBondContact SG-O 3.34Å; C454-N456 VanDerWaalsContact SG-O 3.34Å; N456-G458 PolarHBondContact O-N 3.48Å; N456-G458 VanDerWaalsContact O-N 3.15Å; N456-G458 WeakPolarHBondContact OD1-CA 3.32Å; N456-G458 PolarHBondContact OD1-N 3.3Å; N456-G458 VanDerWaalsContact OD1-N 3.1Å; N456-Q459 PolarHBondContact O-N 2.95Å; N456-Q459 PolarHBondContact OD1-N 3.4Å; N456-G460 PolarHBondContact O-N 3.14Å |
| 457 | Q | 91.6 | Very high | 94.2 | Very high | 84 Ų | 84 | 36 Ų | 36 | 39% | 0.393 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -55 | -30.6 | 177.2 | -174.9 | -169 | 81.9 | 0 | 0 | 113.5 | G460 K461 W487 | Q457-G460 PolarHBondContact O-N 2.8Å; Q457-K461 VanDerWaalsContact CD-CE 3.43Å; Q457-K461 HydrophobicContact CG-CD 3.88Å; Q457-K461 HydrophobicContact CG-CG 4.11Å; Q457-K461 WeakPolarHBondContact O-CB 3.34Å; Q457-K461 WeakPolarHBondContact O-CG 3.31Å; Q457-K461 PolarHBondContact O-N 3.03Å; Q457-W487 HydrophobicContact CB-CB 4.39Å; Q457-W487 HydrophobicContact CB-CD2 4.02Å; Q457-W487 HydrophobicContact CB-CE3 3.99Å; Q457-W487 HydrophobicContact CB-CG 4.21Å; Q457-W487 HydrophobicContact CG-CB 3.94Å; Q457-W487 HydrophobicContact CG-CD2 3.82Å; Q457-W487 HydrophobicContact CG-CE3 4.32Å; Q457-W487 HydrophobicContact CG-CG 3.63Å |
| 458 | G | 91.1 | Very high | 94.2 | Very high | 51 Ų | 51 | 39 Ų | 39 | 53% | 0.526 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.4 | -48.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | N456 Q462 | N456-G458 PolarHBondContact O-N 3.48Å; N456-G458 VanDerWaalsContact O-N 3.15Å; N456-G458 WeakPolarHBondContact OD1-CA 3.32Å; N456-G458 PolarHBondContact OD1-N 3.3Å; N456-G458 VanDerWaalsContact OD1-N 3.1Å; G458-Q462 PolarHBondContact O-N 3.15Å |
| 459 | Q | 89.9 | Confident | 94 | Very high | 40 Ų | 40 | 41.7 Ų | 41.7 | 19% | 0.187 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.4 | -40.1 | 170.8 | -65.8 | -175 | 17.5 | 0 | 0 | 110.8 | P455 N456 K461 Q462 I463 N538 | P455-Q459 VanDerWaalsContact CD-OE1 3.22Å; N456-Q459 PolarHBondContact O-N 2.95Å; N456-Q459 PolarHBondContact OD1-N 3.4Å; Q459-K461 PolarHBondContact O-N 3.49Å; Q459-Q462 WeakPolarHBondContact O-CB 3.35Å; Q459-Q462 PolarHBondContact O-N 3.19Å; Q459-Q462 VanDerWaalsContact O-N 3.12Å; Q459-I463 WeakPolarHBondContact O-CG1 3.48Å; Q459-I463 PolarHBondContact O-N 3.24Å; Q459-N538 PolarHBondContact OE1-ND2 2.88Å; Q459-N538 VanDerWaalsContact OE1-ND2 3.1Å |
| 460 | G | 94.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -52 | -55.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | C454 N456 Q457 Q462 I463 E464 W487 | C454-G460 VanDerWaalsContact SG-CA 3.55Å; N456-G460 PolarHBondContact O-N 3.14Å; Q457-G460 PolarHBondContact O-N 2.8Å; G460-Q462 PolarHBondContact O-N 3.22Å; G460-I463 PolarHBondContact O-N 2.99Å; G460-E464 WeakPolarHBondContact O-CB 3.24Å; G460-E464 PolarHBondContact O-N 2.79Å; G460-W487 VanDerWaalsContact CA-CH2 3.46Å; G460-W487 VanDerWaalsContact CA-CZ2 3.42Å |
| 461 | K | 94.3 | Very high | 93.7 | Very high | 90 Ų | 90 | 42 Ų | 42 | 39% | 0.391 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.3 | -24.6 | 177.7 | -76.3 | 173.3 | 171 | 169.8 | 0 | 113.7 | Q457 Q459 R465 | Q457-K461 VanDerWaalsContact CD-CE 3.43Å; Q457-K461 HydrophobicContact CG-CD 3.88Å; Q457-K461 HydrophobicContact CG-CG 4.11Å; Q457-K461 WeakPolarHBondContact O-CB 3.34Å; Q457-K461 WeakPolarHBondContact O-CG 3.31Å; Q457-K461 PolarHBondContact O-N 3.03Å; Q459-K461 PolarHBondContact O-N 3.49Å; K461-R465 WeakPolarHBondContact O-CD 3.4Å; K461-R465 VanDerWaalsContact O-CG 3.29Å; K461-R465 WeakPolarHBondContact O-CG 3.19Å; K461-R465 PolarHBondContact O-N 3.45Å |
| 462 | Q | 93.5 | Very high | 93.2 | Very high | 103 Ų | 103 | 46.5 Ų | 46.5 | 48% | 0.481 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -76 | -42.7 | 172.4 | -173.7 | 174.7 | 30.8 | 0 | 0 | 111.5 | G458 Q459 G460 R465 W466 | G458-Q462 PolarHBondContact O-N 3.15Å; Q459-Q462 WeakPolarHBondContact O-CB 3.35Å; Q459-Q462 PolarHBondContact O-N 3.19Å; Q459-Q462 VanDerWaalsContact O-N 3.12Å; G460-Q462 PolarHBondContact O-N 3.22Å; Q462-R465 PolarHBondContact O-N 3.32Å; Q462-W466 HydrophobicContact CG-CD2 4.45Å; Q462-W466 HydrophobicContact CG-CH2 3.81Å; Q462-W466 HydrophobicContact CG-CZ2 3.63Å; Q462-W466 HydrophobicContact CG-CZ3 4.29Å; Q462-W466 PolarHBondContact O-N 3.36Å |
| 463 | I | 95.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.8 | -40.9 | 178.5 | -65.2 | 171.1 | 0 | 0 | 0 | 110.9 | T423 L427 F452 C454 Q459 G460 R465 W466 M467 L507 | T423-I463 HydrophobicContact CG2-CD1 4.08Å; T423-I463 HydrophobicContact CG2-CG1 4.2Å; L427-I463 HydrophobicContact CD1-CG2 4.31Å; F452-I463 HydrophobicContact CD1-CG2 4.46Å; F452-I463 HydrophobicContact CE1-CD1 3.8Å; F452-I463 HydrophobicContact CE1-CG2 4.06Å; F452-I463 HydrophobicContact CE2-CG2 4.47Å; F452-I463 HydrophobicContact CZ-CD1 4.26Å; F452-I463 HydrophobicContact CZ-CG2 4.06Å; C454-I463 HydrophobicContact CB-CD1 4.31Å; Q459-I463 WeakPolarHBondContact O-CG1 3.48Å; Q459-I463 PolarHBondContact O-N 3.24Å; G460-I463 PolarHBondContact O-N 2.99Å; I463-R465 VanDerWaalsContact C-N 3.34Å; I463-R465 PolarHBondContact O-N 3.4Å; I463-W466 HydrophobicContact CG1-CE3 4.09Å; I463-W466 HydrophobicContact CG1-CZ3 4.04Å; I463-W466 PolarHBondContact O-N 3.47Å; I463-W466 VanDerWaalsContact O-N 3.12Å; I463-M467 HydrophobicContact CG2-CE 3.65Å; I463-M467 HydrophobicContact CG2-CG 4.32Å; I463-M467 HydrophobicContact CG2-SD 4.1Å; I463-M467 WeakPolarHBondContact O-CG 3.5Å; I463-M467 PolarHBondContact O-N 3.06Å; I463-L507 HydrophobicContact CB-CD2 4.47Å; I463-L507 HydrophobicContact CG2-CD1 4.4Å; I463-L507 HydrophobicContact CG2-CD2 4.28Å |
| 464 | E | 95.6 | Very high | 91.7 | Very high | 50 Ų | 50 | 51.4 Ų | 51.4 | 23% | 0.234 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -51.8 | -49 | 172.6 | -177.9 | 173.9 | -145 | 0 | 0 | 111.4 | G460 W466 M467 S468 T485 L507 | G460-E464 WeakPolarHBondContact O-CB 3.24Å; G460-E464 PolarHBondContact O-N 2.79Å; E464-W466 PolarHBondContact O-N 2.81Å; E464-M467 WeakPolarHBondContact O-CB 3.43Å; E464-M467 PolarHBondContact O-N 3Å; E464-S468 PolarHBondContact O-N 3.18Å; E464-S468 PolarHBondContact O-OG 3.25Å; E464-S468 VanDerWaalsContact O-OG 3.13Å; E464-T485 HydrophobicContact CB-CG2 4.44Å; E464-T485 HydrophobicContact CG-CG2 3.87Å; E464-T485 WeakPolarHBondContact OE1-CB 3.38Å; E464-T485 WeakPolarHBondContact OE1-CG2 3.42Å; E464-T485 PolarHBondContact OE1-OG1 3.07Å; E464-L507 HydrophobicContact CB-CD2 3.88Å |
| 465 | R | 94 | Very high | 90.5 | Very high | 185 Ų | 185 | 53.2 Ų | 53.2 | 70% | 0.698 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -59.5 | -44.5 | 175.9 | -70.2 | 167.1 | -175.8 | -172.8 | -0.5 | 112.3 | K461 Q462 I463 S468 T469 | K461-R465 WeakPolarHBondContact O-CD 3.4Å; K461-R465 VanDerWaalsContact O-CG 3.29Å; K461-R465 WeakPolarHBondContact O-CG 3.19Å; K461-R465 PolarHBondContact O-N 3.45Å; Q462-R465 PolarHBondContact O-N 3.32Å; I463-R465 VanDerWaalsContact C-N 3.34Å; I463-R465 PolarHBondContact O-N 3.4Å; R465-S468 PolarHBondContact O-N 3.43Å; R465-T469 PolarHBondContact O-N 2.88Å; R465-T469 VanDerWaalsContact O-N 3.08Å; R465-T469 PolarHBondContact O-OG1 3.03Å; R465-T469 VanDerWaalsContact O-OG1 3.05Å |
| 466 | W | 94.8 | Very high | 89.3 | Confident | 62 Ų | 62 | 55.9 Ų | 55.9 | 24% | 0.235 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 176.5 | -62.9 | -30.2 | 0 | 0 | 0 | 112.3 | T423 W424 L427 Q462 I463 E464 T469 L470 | T423-W466 HydrophobicContact CG2-CZ3 4.41Å; W424-W466 HydrophobicContact CH2-CB 4.15Å; W424-W466 HydrophobicContact CH2-CG 4.3Å; W424-W466 HydrophobicContact CZ2-CB 3.87Å; W424-W466 AromaticContact CZ2-CD1 3.76Å; W424-W466 AromaticContact CZ2-CD2 3.81Å; W424-W466 HydrophobicContact CZ2-CD2 3.81Å; W424-W466 HydrophobicContact CZ2-CE3 4.42Å; W424-W466 AromaticContact CZ2-CG 3.55Å; W424-W466 HydrophobicContact CZ2-CG 3.55Å; W424-W466 AromaticContact NE1-CD2 3.87Å; W424-W466 AromaticContact NE1-CE2 3.83Å; W424-W466 AromaticContact NE1-CE3 3.94Å; W424-W466 AromaticContact NE1-CZ2 3.91Å; L427-W466 HydrophobicContact CD2-CB 3.77Å; L427-W466 HydrophobicContact CD2-CE3 4.02Å; Q462-W466 HydrophobicContact CG-CD2 4.45Å; Q462-W466 HydrophobicContact CG-CH2 3.81Å; Q462-W466 HydrophobicContact CG-CZ2 3.63Å; Q462-W466 HydrophobicContact CG-CZ3 4.29Å; Q462-W466 PolarHBondContact O-N 3.36Å; I463-W466 HydrophobicContact CG1-CE3 4.09Å; I463-W466 HydrophobicContact CG1-CZ3 4.04Å; I463-W466 PolarHBondContact O-N 3.47Å; I463-W466 VanDerWaalsContact O-N 3.12Å; E464-W466 PolarHBondContact O-N 2.81Å; W466-T469 PolarHBondContact O-N 2.97Å; W466-L470 VanDerWaalsContact O-CG 3.27Å; W466-L470 WeakPolarHBondContact O-CG 3.45Å; W466-L470 PolarHBondContact O-N 3.2Å |
| 467 | M | 95.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.4 | -52.1 | 174.2 | -72 | 175.1 | 170 | 0 | 0 | 110.6 | L427 F452 I463 E464 T469 L470 L471 V483 I505 L507 | L427-M467 HydrophobicContact CD1-CE 3.64Å; L427-M467 HydrophobicContact CD1-CG 3.81Å; F452-M467 HydrophobicContact CB-CE 4Å; F452-M467 HydrophobicContact CD1-CE 4.37Å; F452-M467 HydrophobicContact CD2-CE 3.26Å; F452-M467 HydrophobicContact CE2-CE 3.76Å; F452-M467 HydrophobicContact CG-CE 3.62Å; F452-M467 HydrophobicContact CZ-CE 4.49Å; I463-M467 HydrophobicContact CG2-CE 3.65Å; I463-M467 HydrophobicContact CG2-CG 4.32Å; I463-M467 HydrophobicContact CG2-SD 4.1Å; I463-M467 WeakPolarHBondContact O-CG 3.5Å; I463-M467 PolarHBondContact O-N 3.06Å; E464-M467 WeakPolarHBondContact O-CB 3.43Å; E464-M467 PolarHBondContact O-N 3Å; M467-T469 VanDerWaalsContact C-N 3.31Å; M467-T469 PolarHBondContact O-N 2.88Å; M467-L470 PolarHBondContact O-N 3.18Å; M467-L470 VanDerWaalsContact O-N 3.07Å; M467-L471 HydrophobicContact CB-CD1 4.15Å; M467-L471 WeakPolarHBondContact O-CB 3.27Å; M467-L471 WeakPolarHBondContact O-CD1 3.48Å; M467-L471 VanDerWaalsContact O-CG 3.27Å; M467-L471 WeakPolarHBondContact O-CG 3.39Å; M467-L471 PolarHBondContact O-N 2.83Å; M467-V483 HydrophobicContact CB-CG2 4.14Å; M467-V483 HydrophobicContact SD-CG1 4.4Å; M467-I505 HydrophobicContact CE-CD1 3.92Å; M467-I505 HydrophobicContact CE-CG2 3.86Å; M467-I505 HydrophobicContact CG-CD1 4.13Å; M467-I505 HydrophobicContact SD-CD1 3.8Å; M467-I505 HydrophobicContact SD-CG2 4.08Å; M467-L507 HydrophobicContact SD-CD2 3.93Å |
| 468 | S | 92.1 | Very high | 86.4 | Confident | 63 Ų | 63 | 54.3 Ų | 54.3 | 44% | 0.441 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.9 | -38.5 | 179.4 | -59 | 0 | 0 | 0 | 0 | 112.7 | E464 R465 C472 | E464-S468 PolarHBondContact O-N 3.18Å; E464-S468 PolarHBondContact O-OG 3.25Å; E464-S468 VanDerWaalsContact O-OG 3.13Å; R465-S468 PolarHBondContact O-N 3.43Å; S468-C472 WeakPolarHBondContact O-CB 3.39Å; S468-C472 PolarHBondContact O-N 3.05Å |
| 469 | T | 91.1 | Very high | 85.5 | Confident | 56 Ų | 56 | 55.6 Ų | 55.6 | 34% | 0.344 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.4 | -35.7 | 174.9 | -49.7 | 0 | 0 | 0 | 0 | 113.1 | M388 R465 W466 M467 | M388-T469 HydrophobicContact CE-CG2 3.75Å; M388-T469 HydrophobicContact CG-CG2 3.87Å; M388-T469 HydrophobicContact SD-CG2 3.7Å; R465-T469 PolarHBondContact O-N 2.88Å; R465-T469 VanDerWaalsContact O-N 3.08Å; R465-T469 PolarHBondContact O-OG1 3.03Å; R465-T469 VanDerWaalsContact O-OG1 3.05Å; W466-T469 PolarHBondContact O-N 2.97Å; M467-T469 VanDerWaalsContact C-N 3.31Å; M467-T469 PolarHBondContact O-N 2.88Å |
| 470 | L | 93.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.5 | -41.3 | 175.2 | -71.3 | 167.5 | 0 | 0 | 0 | 112.2 | I381 A384 M385 M388 W424 L427 C431 W466 M467 | I381-L470 HydrophobicContact CD1-CB 3.93Å; I381-L470 HydrophobicContact CD1-CD2 3.98Å; I381-L470 WeakPolarHBondContact CD1-O 3.25Å; I381-L470 HydrophobicContact CG2-CD2 4.22Å; A384-L470 HydrophobicContact CB-CD2 4.05Å; M385-L470 HydrophobicContact CG-CD2 3.94Å; M388-L470 HydrophobicContact CE-CD2 3.78Å; M388-L470 HydrophobicContact CE-CG 3.94Å; W424-L470 HydrophobicContact CH2-CD1 4.19Å; W424-L470 HydrophobicContact CH2-CD2 4.46Å; W424-L470 HydrophobicContact CH2-CG 4.43Å; W424-L470 HydrophobicContact CZ3-CD1 4.02Å; W424-L470 HydrophobicContact CZ3-CD2 4.18Å; W424-L470 HydrophobicContact CZ3-CG 4.46Å; L427-L470 HydrophobicContact CD2-CD1 4.2Å; L427-L470 HydrophobicContact CG-CD1 3.88Å; C431-L470 HydrophobicContact CB-CB 3.89Å; C431-L470 HydrophobicContact CB-CD1 4.1Å; C431-L470 VanDerWaalsContact SG-CD1 3.55Å; W466-L470 VanDerWaalsContact O-CG 3.27Å; W466-L470 WeakPolarHBondContact O-CG 3.45Å; W466-L470 PolarHBondContact O-N 3.2Å; M467-L470 PolarHBondContact O-N 3.18Å; M467-L470 VanDerWaalsContact O-N 3.07Å |
| 471 | L | 91.5 | Very high | 85 | Confident | 8 Ų | 8 | 58.7 Ų | 58.7 | 4% | 0.042 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -80.2 | -37.6 | -174.2 | -66.7 | 160.1 | 0 | 0 | 0 | 112 | C431 H435 M467 L473 L474 G475 D482 V483 I505 | C431-L471 HydrophobicContact CB-CD2 3.94Å; C431-L471 HydrophobicContact CB-CG 4.07Å; C431-L471 WeakPolarHBondContact O-CD2 3.28Å; H435-L471 HydrophobicContact CB-CD2 3.88Å; M467-L471 HydrophobicContact CB-CD1 4.15Å; M467-L471 WeakPolarHBondContact O-CB 3.27Å; M467-L471 WeakPolarHBondContact O-CD1 3.48Å; M467-L471 VanDerWaalsContact O-CG 3.27Å; M467-L471 WeakPolarHBondContact O-CG 3.39Å; M467-L471 PolarHBondContact O-N 2.83Å; L471-L473 PolarHBondContact O-N 3.1Å; L471-L473 VanDerWaalsContact O-N 3.15Å; L471-L474 HydrophobicContact CD2-CD1 4.4Å; L471-L474 WeakPolarHBondContact O-CB 3.44Å; L471-L474 PolarHBondContact O-N 2.92Å; L471-G475 PolarHBondContact O-N 2.94Å; L471-D482 HydrophobicContact CD1-CB 4.21Å; L471-V483 HydrophobicContact CD1-CG2 3.39Å; L471-I505 HydrophobicContact CD1-CD1 4.25Å |
| 472 | C | 87.1 | Confident | 84.9 | Confident | 96 Ų | 96 | 55.6 Ų | 55.6 | 65% | 0.649 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -54.4 | -36.6 | 179.8 | -179.6 | 0 | 0 | 0 | 0 | 113.4 | S468 L474 G475 | S468-C472 WeakPolarHBondContact O-CB 3.39Å; S468-C472 PolarHBondContact O-N 3.05Å; C472-L474 VanDerWaalsContact C-N 3.35Å; C472-L474 PolarHBondContact O-N 2.78Å; C472-G475 PolarHBondContact O-N 2.95Å |
| 473 | L | 81.4 | Confident | 84.9 | Confident | 64 Ų | 64 | 52 Ų | 52 | 34% | 0.335 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -16.8 | 177.8 | -60.6 | -160.9 | 0 | 0 | 0 | 114.5 | I380 R383 A384 L471 G475 | I380-L473 VanDerWaalsContact CG2-C 3.45Å; I380-L473 HydrophobicContact CG2-CB 3.63Å; I380-L473 WeakPolarHBondContact CG2-O 3.23Å; R383-L473 HydrophobicContact CG-CD1 4.4Å; A384-L473 HydrophobicContact CB-CD1 3.79Å; A384-L473 HydrophobicContact CB-CG 4.23Å; L471-L473 PolarHBondContact O-N 3.1Å; L471-L473 VanDerWaalsContact O-N 3.15Å; L473-G475 VanDerWaalsContact C-N 3.29Å |
| 474 | L | 82.9 | Confident | 84.9 | Confident | 40 Ų | 40 | 51.9 Ų | 51.9 | 21% | 0.209 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -18.9 | 172 | -66.3 | 169.6 | 0 | 0 | 0 | 111.7 | I380 I381 H435 L471 C472 | I380-L474 HydrophobicContact CB-CD2 4.05Å; I380-L474 HydrophobicContact CD1-CD2 4.21Å; I380-L474 HydrophobicContact CG2-CD2 3.81Å; I380-L474 HydrophobicContact CG2-CG 4.23Å; I381-L474 HydrophobicContact CD1-CD1 4.08Å; I381-L474 HydrophobicContact CD1-CG 4.44Å; I381-L474 HydrophobicContact CG1-CD1 4.41Å; I381-L474 HydrophobicContact CG1-CD2 4.38Å; H435-L474 HydrophobicContact CB-CD1 3.87Å; L471-L474 HydrophobicContact CD2-CD1 4.4Å; L471-L474 WeakPolarHBondContact O-CB 3.44Å; L471-L474 PolarHBondContact O-N 2.92Å; C472-L474 VanDerWaalsContact C-N 3.35Å; C472-L474 PolarHBondContact O-N 2.78Å |
| 475 | G | 72.1 | Confident | 84.9 | Confident | 38 Ų | 38 | 50.8 Ų | 50.8 | 39% | 0.392 | 31% | 0.313 | S | S | . | . | trans | 79.6 | -177.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | H435 L471 C472 L473 | H435-G475 PolarHBondContact CE1-O 3.44Å; L471-G475 PolarHBondContact O-N 2.94Å; C472-G475 PolarHBondContact O-N 2.95Å; L473-G475 VanDerWaalsContact C-N 3.29Å | ||
| 476 | S | 64.5 | Low | 85 | Confident | 72 Ų | 72 | 42 Ų | 42 | 50% | 0.503 | 28% | 0.279 | S | S | . | . | trans | -140.1 | 106.2 | 172.1 | -162.6 | 0 | 0 | 0 | 0 | 108.8 | D482 | S476-D482 PolarHBondContact OG-OD2 2.81Š| ||
| 477 | A | 57.2 | Low | 84.9 | Confident | 93 Ų | 93 | 40.9 Ų | 40.9 | 77% | 0.769 | 28% | 0.275 | S | S | * | . | trans | -105.1 | -10.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 478 | S | 62.4 | Low | 84.6 | Confident | 27 Ų | 27 | 44.1 Ų | 44.1 | 19% | 0.189 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -98.1 | -8.5 | -172.3 | 53.7 | 0 | 0 | 0 | 0 | 115.1 | Q439 F480 | Q439-S478 PolarHBondContact NE2-OG 3.15Å; Q439-S478 VanDerWaalsContact OE1-CB 3.3Å; S478-F480 PolarHBondContact O-N 3.39Å; S478-F480 VanDerWaalsContact O-N 3.1Å |
| 479 | G | 71.7 | Confident | 84.2 | Confident | 79 Ų | 79 | 46 Ų | 46 | 81% | 0.814 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 65.1 | 9.6 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 480 | F | 84.5 | Confident | 84 | Confident | 31 Ų | 31 | 48.6 Ų | 48.6 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -97.3 | 160.7 | 176 | -59.8 | -45.6 | 0 | 0 | 0 | 111.5 | L438 D443 S478 D482 P502 | L438-F480 HydrophobicContact CD1-CB 3.9Å; L438-F480 HydrophobicContact CD1-CD2 3.78Å; L438-F480 HydrophobicContact CD1-CG 4.18Å; L438-F480 HydrophobicContact CD2-CB 4.04Å; L438-F480 HydrophobicContact CG-CB 4.2Å; L438-F480 HydrophobicContact CG-CD2 4.2Å; D443-F480 HydrophobicContact CB-CZ 4.37Å; S478-F480 PolarHBondContact O-N 3.39Å; S478-F480 VanDerWaalsContact O-N 3.1Å; F480-D482 PolarHBondContact O-N 3.07Å; F480-P502 HydrophobicContact CD1-CB 4.33Å; F480-P502 HydrophobicContact CD1-CG 4.3Å; F480-P502 HydrophobicContact CD2-CB 3.9Å; F480-P502 HydrophobicContact CD2-CG 4.26Å; F480-P502 HydrophobicContact CE1-CB 4.46Å; F480-P502 HydrophobicContact CE1-CG 3.98Å; F480-P502 HydrophobicContact CE2-CB 4.06Å; F480-P502 HydrophobicContact CE2-CG 3.93Å; F480-P502 HydrophobicContact CG-CB 4.09Å; F480-P502 HydrophobicContact CG-CG 4.48Å; F480-P502 HydrophobicContact CZ-CB 4.36Å; F480-P502 HydrophobicContact CZ-CG 3.81Å |
| 481 | E | 90.4 | Very high | 83.8 | Confident | 73 Ų | 73 | 52.8 Ų | 52.8 | 34% | 0.341 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 111.7 | 177.4 | -60.2 | -171.7 | -106.3 | 0 | 0 | 110.7 | V483 V484 R498 G504 | E481-V483 PolarHBondContact O-N 3.24Å; E481-V484 HydrophobicContact CB-CG2 3.87Å; E481-V484 HydrophobicContact CG-CG2 4.43Å; E481-R498 VanDerWaalsContact OE1-CG 3.29Å; E481-R498 WeakPolarHBondContact OE1-CG 3.12Å; E481-R498 IonicContact OE1-CZ 3.4Å; E481-R498 IonicContact OE1-NE 2.73Å; E481-R498 PolarHBondContact OE1-NE 2.75Å; E481-R498 IonicContact OE1-NH2 2.69Å; E481-R498 IonicContact OE2-CZ 2.62Å; E481-R498 VanDerWaalsContact OE2-CZ 3.27Å; E481-R498 IonicContact OE2-NE 3.86Å; E481-R498 PolarHBondContact OE2-NE 2.86Å; E481-R498 IonicContact OE2-NH2 3.36Å; E481-R498 PolarHBondContact OE2-NH2 3.18Å; E481-G504 PolarHBondContact O-N 2.77Å |
| 482 | D | 91.1 | Very high | 83.6 | Confident | 25 Ų | 25 | 53.7 Ų | 53.7 | 13% | 0.134 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | -30.2 | 175.6 | -72.5 | -84.4 | 0 | 0 | 0 | 112.4 | H435 L471 S476 F480 G504 I505 | H435-D482 IonicContact CE1-OD1 2.75Å; H435-D482 IonicContact CG-OD1 2.68Å; H435-D482 IonicContact ND1-OD1 2.73Å; H435-D482 PolarHBondContact ND1-OD1 3.04Å; L471-D482 HydrophobicContact CD1-CB 4.21Å; S476-D482 PolarHBondContact OG-OD2 2.81Å; F480-D482 PolarHBondContact O-N 3.07Å; D482-G504 CarbonylContact O-C 3.59Å; D482-G504 WeakPolarHBondContact O-CA 3.32Å; D482-I505 PolarHBondContact O-N 2.97Å |
| 483 | V | 94.7 | Very high | 83.7 | Confident | 28 Ų | 28 | 54.7 Ų | 54.7 | 17% | 0.17 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 129.8 | 174.2 | -171.6 | 0 | 0 | 0 | 0 | 111.1 | M467 L471 E481 T485 I505 | M467-V483 HydrophobicContact CB-CG2 4.14Å; M467-V483 HydrophobicContact SD-CG1 4.4Å; L471-V483 HydrophobicContact CD1-CG2 3.39Å; E481-V483 PolarHBondContact O-N 3.24Å; V483-T485 HydrophobicContact CG1-CG2 3.87Å; V483-I505 CarbonylContact C-O 3.54Å; V483-I505 WeakPolarHBondContact CA-O 3.33Å; V483-I505 HydrophobicContact CG1-CB 4.47Å; V483-I505 HydrophobicContact CG2-CB 4.43Å; V483-I505 HydrophobicContact CG2-CD1 4.45Å |
| 484 | V | 95.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 123.3 | 166.7 | 171.4 | 0 | 0 | 0 | 0 | 108.5 | E481 I495 R498 V503 I505 L506 L507 | E481-V484 HydrophobicContact CB-CG2 3.87Å; E481-V484 HydrophobicContact CG-CG2 4.43Å; V484-I495 HydrophobicContact CG1-CD1 3.79Å; V484-I495 HydrophobicContact CG1-CG2 4.36Å; V484-R498 HydrophobicContact CG2-CB 4.47Å; V484-V503 HydrophobicContact CB-CG1 3.99Å; V484-V503 HydrophobicContact CG2-CB 4.44Å; V484-V503 HydrophobicContact CG2-CG1 3.6Å; V484-V503 HydrophobicContact CG2-CG2 3.9Å; V484-I505 PolarHBondContact N-O 2.98Å; V484-L506 HydrophobicContact CG1-CD1 4.35Å; V484-L506 WeakPolarHBondContact O-CA 3.27Å; V484-L507 PolarHBondContact O-N 3.29Å |
| 485 | T | 96.3 | Very high | 84.7 | Confident | 27 Ų | 27 | 52 Ų | 52 | 17% | 0.166 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 138.9 | 176.7 | 59.9 | 0 | 0 | 0 | 0 | 112 | E464 V483 I495 L507 | E464-T485 HydrophobicContact CB-CG2 4.44Å; E464-T485 HydrophobicContact CG-CG2 3.87Å; E464-T485 WeakPolarHBondContact OE1-CB 3.38Å; E464-T485 WeakPolarHBondContact OE1-CG2 3.42Å; E464-T485 PolarHBondContact OE1-OG1 3.07Å; V483-T485 HydrophobicContact CG1-CG2 3.87Å; T485-I495 WeakPolarHBondContact O-CD1 3.22Å; T485-L507 WeakPolarHBondContact CA-O 3.37Å; T485-L507 HydrophobicContact CG2-CB 4.08Å; T485-L507 HydrophobicContact CG2-CD2 4Å; T485-L507 HydrophobicContact CG2-CG 4.28Å |
| 486 | H | 95.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -132.7 | 112.3 | -179.1 | 178.1 | 39.7 | 0 | 0 | 0 | 109.9 | D488 I495 L506 L507 T508 L512 | H486-D488 PolarHBondContact CE1-O 3.13Å; H486-D488 PolarHBondContact ND1-O 2.97Å; H486-I495 HydrophobicContact CB-CD1 4.18Å; H486-I495 HydrophobicContact CB-CG1 3.97Å; H486-I495 HydrophobicContact CB-CG2 4.09Å; H486-L506 HydrophobicContact CB-CD1 4.46Å; H486-L507 PolarHBondContact N-O 3.43Å; H486-T508 WeakPolarHBondContact O-CB 3.23Å; H486-T508 PolarHBondContact O-OG1 3.5Å; H486-L512 VanDerWaalsContact O-CD1 3.25Å; H486-L512 WeakPolarHBondContact O-CD1 3.35Å | ||
| 487 | W | 93.1 | Very high | 87 | Confident | 39 Ų | 39 | 55.1 Ų | 55.1 | 15% | 0.148 | 32% | 0.315 | C | S | . | . | trans | -131.2 | -8.5 | -174.3 | -56.8 | 121.5 | 0 | 0 | 0 | 115.3 | C454 Q457 G460 L507 T508 L512 | C454-W487 WeakPolarHBondContact SG-CH2 2.95Å; Q457-W487 HydrophobicContact CB-CB 4.39Å; Q457-W487 HydrophobicContact CB-CD2 4.02Å; Q457-W487 HydrophobicContact CB-CE3 3.99Å; Q457-W487 HydrophobicContact CB-CG 4.21Å; Q457-W487 HydrophobicContact CG-CB 3.94Å; Q457-W487 HydrophobicContact CG-CD2 3.82Å; Q457-W487 HydrophobicContact CG-CE3 4.32Å; Q457-W487 HydrophobicContact CG-CG 3.63Å; G460-W487 VanDerWaalsContact CA-CH2 3.46Å; G460-W487 VanDerWaalsContact CA-CZ2 3.42Å; W487-L507 HydrophobicContact CH2-CD1 4.14Å; W487-L507 HydrophobicContact CH2-CG 3.97Å; W487-L507 HydrophobicContact CZ2-CD1 4.38Å; W487-L507 HydrophobicContact CZ2-CD2 4.15Å; W487-L507 HydrophobicContact CZ2-CG 3.76Å; W487-T508 VanDerWaalsContact CZ3-C 3.41Å; W487-L512 VanDerWaalsContact C-CD1 3.44Å; W487-L512 VanDerWaalsContact CA-CD1 3.4Å | ||
| 488 | D | 88.6 | Confident | 88.6 | Confident | 67 Ų | 67 | 53.5 Ų | 53.5 | 36% | 0.358 | 29% | 0.289 | S | S | . | . | trans | -132.7 | 140.4 | 179.4 | -176.6 | 9.1 | 0 | 0 | 0 | 110.6 | H486 T490 Q491 | H486-D488 PolarHBondContact CE1-O 3.13Å; H486-D488 PolarHBondContact ND1-O 2.97Å; D488-T490 VanDerWaalsContact C-N 3.33Å; D488-T490 VanDerWaalsContact CG-OG1 3.22Å; D488-T490 PolarHBondContact OD1-N 2.83Å; D488-T490 VanDerWaalsContact OD1-N 3.15Å; D488-T490 PolarHBondContact OD2-OG1 2.89Å; D488-Q491 HydrophobicContact CB-CG 4.16Å; D488-Q491 PolarHBondContact O-N 3.19Å | ||
| 489 | K | 84.6 | Confident | 90.1 | Very high | 102 Ų | 102 | 52.2 Ų | 52.2 | 44% | 0.443 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -72.5 | -26 | -178.8 | -62.2 | -176.5 | 173.1 | 163.2 | 0 | 111.9 | Q491 L492 D511 L512 Q515 | K489-Q491 PolarHBondContact O-N 3.19Å; K489-L492 WeakPolarHBondContact O-CB 3.29Å; K489-L492 PolarHBondContact O-N 2.93Å; K489-D511 WeakPolarHBondContact CE-OD2 3.23Å; K489-D511 IonicContact NZ-OD2 2.72Å; K489-D511 PolarHBondContact NZ-OD2 3.38Å; K489-L512 HydrophobicContact CD-CD2 4.2Å; K489-L512 HydrophobicContact CG-CD2 3.41Å; K489-L512 VanDerWaalsContact CG-CD2 3.41Å; K489-Q515 VanDerWaalsContact CE-OE1 3.29Å |
| 490 | T | 86.3 | Confident | 91 | Very high | 112 Ų | 112 | 55 Ų | 55 | 69% | 0.687 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -34.3 | 172.3 | 71 | 0 | 0 | 0 | 0 | 111.6 | D488 L492 | D488-T490 VanDerWaalsContact C-N 3.33Å; D488-T490 VanDerWaalsContact CG-OG1 3.22Å; D488-T490 PolarHBondContact OD1-N 2.83Å; D488-T490 VanDerWaalsContact OD1-N 3.15Å; D488-T490 PolarHBondContact OD2-OG1 2.89Å; T490-L492 PolarHBondContact O-N 3.22Å |
| 491 | Q | 88 | Confident | 91.3 | Very high | 87 Ų | 87 | 60.1 Ų | 60.1 | 41% | 0.407 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | 0.8 | -174.6 | -61 | 177.3 | -16.8 | 0 | 0 | 113.8 | D488 K489 V493 D494 I495 | D488-Q491 HydrophobicContact CB-CG 4.16Å; D488-Q491 PolarHBondContact O-N 3.19Å; K489-Q491 PolarHBondContact O-N 3.19Å; Q491-V493 PolarHBondContact O-N 2.88Å; Q491-V493 VanDerWaalsContact O-N 3.09Å; Q491-D494 WeakPolarHBondContact O-CB 3.43Å; Q491-D494 PolarHBondContact O-N 3Å; Q491-I495 HydrophobicContact CB-CG1 4.45Å; Q491-I495 WeakPolarHBondContact O-CG1 3.45Å; Q491-I495 PolarHBondContact O-N 2.75Å; Q491-I495 VanDerWaalsContact O-N 3.08Å |
| 492 | L | 88.1 | Confident | 91.5 | Very high | 28 Ų | 28 | 56.7 Ų | 56.7 | 15% | 0.147 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -50.2 | -40.4 | -175.1 | -179.9 | 63.6 | 0 | 0 | 0 | 112.9 | K489 T490 V496 L516 | K489-L492 WeakPolarHBondContact O-CB 3.29Å; K489-L492 PolarHBondContact O-N 2.93Å; T490-L492 PolarHBondContact O-N 3.22Å; L492-V496 HydrophobicContact CD1-CG2 4.12Å; L492-V496 HydrophobicContact CG-CG2 4.41Å; L492-V496 VanDerWaalsContact O-CB 3.28Å; L492-V496 WeakPolarHBondContact O-CB 3.4Å; L492-V496 WeakPolarHBondContact O-CG2 3.39Å; L492-V496 PolarHBondContact O-N 2.79Å; L492-L516 HydrophobicContact CD1-CD2 3.67Å; L492-L516 HydrophobicContact CD1-CG 4.33Å |
| 493 | V | 89.1 | Confident | 91.6 | Very high | 117 Ų | 117 | 55.6 Ų | 55.6 | 71% | 0.709 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -69.9 | -36 | -179.8 | -176.1 | 0 | 0 | 0 | 0 | 112.6 | Q491 R497 | Q491-V493 PolarHBondContact O-N 2.88Å; Q491-V493 VanDerWaalsContact O-N 3.09Å; V493-R497 WeakPolarHBondContact O-CB 3.16Å; V493-R497 PolarHBondContact O-N 2.96Å |
| 494 | D | 92.1 | Very high | 91.6 | Very high | 46 Ų | 46 | 54.2 Ų | 54.2 | 25% | 0.246 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.3 | -48.9 | 173.9 | 173.8 | 69.2 | 0 | 0 | 0 | 111.2 | Q491 V496 R497 R498 | Q491-D494 WeakPolarHBondContact O-CB 3.43Å; Q491-D494 PolarHBondContact O-N 3Å; D494-V496 PolarHBondContact O-N 2.98Å; D494-R497 WeakPolarHBondContact O-CA 3.27Å; D494-R497 WeakPolarHBondContact O-CB 3.42Å; D494-R497 PolarHBondContact O-N 2.89Å; D494-R497 VanDerWaalsContact O-N 3.09Å; D494-R497 IonicContact OD1-CZ 2.71Å; D494-R497 IonicContact OD1-NH1 3.74Å; D494-R497 PolarHBondContact OD1-NH1 2.9Å; D494-R497 IonicContact OD1-NH2 3.52Å; D494-R497 PolarHBondContact OD1-NH2 3.49Å; D494-R498 WeakPolarHBondContact O-CG 3.39Å; D494-R498 PolarHBondContact O-N 3.17Å; D494-R498 WeakPolarHBondContact OD2-CD 3.5Å; D494-R498 IonicContact OD2-CZ 3.07Å; D494-R498 IonicContact OD2-NE 2.68Å; D494-R498 IonicContact OD2-NH1 2.74Å; D494-R498 PolarHBondContact OD2-NH1 3.14Å |
| 495 | I | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.2 | -42.9 | -178.4 | -58.3 | -60 | 0 | 0 | 0 | 110.5 | V484 T485 H486 Q491 R497 R498 L499 L516 | V484-I495 HydrophobicContact CG1-CD1 3.79Å; V484-I495 HydrophobicContact CG1-CG2 4.36Å; T485-I495 WeakPolarHBondContact O-CD1 3.22Å; H486-I495 HydrophobicContact CB-CD1 4.18Å; H486-I495 HydrophobicContact CB-CG1 3.97Å; H486-I495 HydrophobicContact CB-CG2 4.09Å; Q491-I495 HydrophobicContact CB-CG1 4.45Å; Q491-I495 WeakPolarHBondContact O-CG1 3.45Å; Q491-I495 PolarHBondContact O-N 2.75Å; Q491-I495 VanDerWaalsContact O-N 3.08Å; I495-R497 VanDerWaalsContact C-N 3.29Å; I495-R497 PolarHBondContact O-N 3.23Å; I495-R498 PolarHBondContact O-N 3.16Å; I495-L499 HydrophobicContact CG2-CD1 3.84Å; I495-L499 HydrophobicContact CG2-CG 4.22Å; I495-L499 WeakPolarHBondContact O-CB 3.42Å; I495-L499 VanDerWaalsContact O-CG 3.29Å; I495-L499 WeakPolarHBondContact O-CG 3.44Å; I495-L499 PolarHBondContact O-N 2.83Å; I495-L516 HydrophobicContact CG2-CD1 4.05Å; I495-L516 HydrophobicContact CG2-CD2 3.97Å |
| 496 | V | 92.3 | Very high | 91.7 | Very high | 34 Ų | 34 | 53 Ų | 53 | 21% | 0.206 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.1 | -37.3 | 172.3 | 166.7 | 0 | 0 | 0 | 0 | 111.6 | L492 D494 K500 L516 I525 | L492-V496 HydrophobicContact CD1-CG2 4.12Å; L492-V496 HydrophobicContact CG-CG2 4.41Å; L492-V496 VanDerWaalsContact O-CB 3.28Å; L492-V496 WeakPolarHBondContact O-CB 3.4Å; L492-V496 WeakPolarHBondContact O-CG2 3.39Å; L492-V496 PolarHBondContact O-N 2.79Å; D494-V496 PolarHBondContact O-N 2.98Å; V496-K500 WeakPolarHBondContact O-CG 3.37Å; V496-K500 PolarHBondContact O-N 2.81Å; V496-L516 HydrophobicContact CG2-CD2 3.87Å; V496-I525 HydrophobicContact CG1-CG2 4.16Å; V496-I525 HydrophobicContact CG2-CD1 4.21Å |
| 497 | R | 91 | Very high | 91.9 | Very high | 143 Ų | 143 | 53 Ų | 53 | 54% | 0.54 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67 | -42.2 | 174.1 | 167.5 | 171.8 | 45.7 | 50.1 | -2.9 | 112.1 | V493 D494 I495 K500 | V493-R497 WeakPolarHBondContact O-CB 3.16Å; V493-R497 PolarHBondContact O-N 2.96Å; D494-R497 WeakPolarHBondContact O-CA 3.27Å; D494-R497 WeakPolarHBondContact O-CB 3.42Å; D494-R497 PolarHBondContact O-N 2.89Å; D494-R497 VanDerWaalsContact O-N 3.09Å; D494-R497 IonicContact OD1-CZ 2.71Å; D494-R497 IonicContact OD1-NH1 3.74Å; D494-R497 PolarHBondContact OD1-NH1 2.9Å; D494-R497 IonicContact OD1-NH2 3.52Å; D494-R497 PolarHBondContact OD1-NH2 3.49Å; I495-R497 VanDerWaalsContact C-N 3.29Å; I495-R497 PolarHBondContact O-N 3.23Å; R497-K500 WeakPolarHBondContact O-CB 3.39Å; R497-K500 PolarHBondContact O-N 2.99Å |
| 498 | R | 92.8 | Very high | 92.1 | Very high | 59 Ų | 59 | 51.1 Ų | 51.1 | 22% | 0.223 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.9 | -44 | -179.6 | -70.5 | 159.8 | 72.2 | -171.7 | 2.1 | 111.5 | E481 V484 D494 I495 K500 K501 | E481-R498 VanDerWaalsContact OE1-CG 3.29Å; E481-R498 WeakPolarHBondContact OE1-CG 3.12Å; E481-R498 IonicContact OE1-CZ 3.4Å; E481-R498 IonicContact OE1-NE 2.73Å; E481-R498 PolarHBondContact OE1-NE 2.75Å; E481-R498 IonicContact OE1-NH2 2.69Å; E481-R498 IonicContact OE2-CZ 2.62Å; E481-R498 VanDerWaalsContact OE2-CZ 3.27Å; E481-R498 IonicContact OE2-NE 3.86Å; E481-R498 PolarHBondContact OE2-NE 2.86Å; E481-R498 IonicContact OE2-NH2 3.36Å; E481-R498 PolarHBondContact OE2-NH2 3.18Å; V484-R498 HydrophobicContact CG2-CB 4.47Å; D494-R498 WeakPolarHBondContact O-CG 3.39Å; D494-R498 PolarHBondContact O-N 3.17Å; D494-R498 WeakPolarHBondContact OD2-CD 3.5Å; D494-R498 IonicContact OD2-CZ 3.07Å; D494-R498 IonicContact OD2-NE 2.68Å; D494-R498 IonicContact OD2-NH1 2.74Å; D494-R498 PolarHBondContact OD2-NH1 3.14Å; I495-R498 PolarHBondContact O-N 3.16Å; R498-K500 PolarHBondContact O-N 2.83Å; R498-K500 VanDerWaalsContact O-N 3.1Å; R498-K501 PolarHBondContact O-N 2.63Å; R498-K501 VanDerWaalsContact O-N 3.08Å |
| 499 | L | 93.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -3.7 | 176.9 | -63.1 | 177.8 | 0 | 0 | 0 | 114.9 | G447 I495 K501 V503 L506 L516 I525 F526 | G447-L499 WeakPolarHBondContact CA-O 3.15Å; G447-L499 PolarHBondContact N-O 3.06Å; I495-L499 HydrophobicContact CG2-CD1 3.84Å; I495-L499 HydrophobicContact CG2-CG 4.22Å; I495-L499 WeakPolarHBondContact O-CB 3.42Å; I495-L499 VanDerWaalsContact O-CG 3.29Å; I495-L499 WeakPolarHBondContact O-CG 3.44Å; I495-L499 PolarHBondContact O-N 2.83Å; L499-K501 VanDerWaalsContact C-N 3.26Å; L499-V503 HydrophobicContact CD2-CB 4.35Å; L499-V503 HydrophobicContact CD2-CG1 4.44Å; L499-V503 HydrophobicContact CD2-CG2 4.21Å; L499-L506 HydrophobicContact CD1-CD1 4.35Å; L499-L506 HydrophobicContact CD1-CD2 4.03Å; L499-L506 HydrophobicContact CD2-CD1 4.46Å; L499-L516 HydrophobicContact CD1-CD1 4.05Å; L499-L516 HydrophobicContact CD1-CD2 4.29Å; L499-I525 HydrophobicContact CB-CB 3.93Å; L499-I525 HydrophobicContact CB-CG2 4.09Å; L499-F526 HydrophobicContact CD1-CZ 4.49Å |
| 500 | K | 91 | Very high | 92.9 | Very high | 136 Ų | 136 | 43.8 Ų | 43.8 | 59% | 0.591 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -16.5 | 167.3 | -75.5 | 175.1 | -177.4 | -176 | 0 | 113.3 | R446 V496 R497 R498 I525 | R446-K500 WeakPolarHBondContact CB-O 3.42Å; V496-K500 WeakPolarHBondContact O-CG 3.37Å; V496-K500 PolarHBondContact O-N 2.81Å; R497-K500 WeakPolarHBondContact O-CB 3.39Å; R497-K500 PolarHBondContact O-N 2.99Å; R498-K500 PolarHBondContact O-N 2.83Å; R498-K500 VanDerWaalsContact O-N 3.1Å; K500-I525 HydrophobicContact CG-CG2 4.26Å |
| 501 | K | 90.7 | Very high | 93.1 | Very high | 139 Ų | 139 | 40 Ų | 40 | 60% | 0.604 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -100.6 | 169.7 | 172.9 | -70.9 | -170.4 | 174.8 | -170.9 | 0 | 110.9 | G445 R446 G447 R498 L499 | G445-K501 CarbonylContact O-C 3.52Å; R446-K501 CarbonylContact C-O 3.49Å; R446-K501 WeakPolarHBondContact CA-O 3.27Å; G447-K501 PolarHBondContact N-O 3.43Å; G447-K501 VanDerWaalsContact N-O 3.12Å; R498-K501 PolarHBondContact O-N 2.63Å; R498-K501 VanDerWaalsContact O-N 3.08Å; L499-K501 VanDerWaalsContact C-N 3.26Å |
| 502 | P | 93 | Very high | 93.4 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 135.8 | 165.6 | -18.2 | 32.7 | 0 | 0 | 0 | 110.1 | L438 R441 P442 G445 F480 | L438-P502 HydrophobicContact CD1-CB 3.82Å; R441-P502 HydrophobicContact CB-CB 4.25Å; P442-P502 WeakPolarHBondContact O-CG 2.37Å; G445-P502 WeakPolarHBondContact O-CD 3.31Å; F480-P502 HydrophobicContact CD1-CB 4.33Å; F480-P502 HydrophobicContact CD1-CG 4.3Å; F480-P502 HydrophobicContact CD2-CB 3.9Å; F480-P502 HydrophobicContact CD2-CG 4.26Å; F480-P502 HydrophobicContact CE1-CB 4.46Å; F480-P502 HydrophobicContact CE1-CG 3.98Å; F480-P502 HydrophobicContact CE2-CB 4.06Å; F480-P502 HydrophobicContact CE2-CG 3.93Å; F480-P502 HydrophobicContact CG-CB 4.09Å; F480-P502 HydrophobicContact CG-CG 4.48Å; F480-P502 HydrophobicContact CZ-CB 4.36Å; F480-P502 HydrophobicContact CZ-CG 3.81Å |
| 503 | V | 93.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149.3 | 175.6 | 167.4 | 0 | 0 | 0 | 0 | 108.2 | G447 P448 T449 V484 L499 | G447-V503 PolarHBondContact O-N 2.89Å; G447-V503 VanDerWaalsContact O-N 3.14Å; P448-V503 CarbonylContact C-O 3.55Å; P448-V503 VanDerWaalsContact CA-O 3.3Å; P448-V503 WeakPolarHBondContact CA-O 3.42Å; P448-V503 HydrophobicContact CB-CG1 4.46Å; T449-V503 PolarHBondContact N-O 2.83Å; T449-V503 PolarHBondContact OG1-O 2.94Å; V484-V503 HydrophobicContact CB-CG1 3.99Å; V484-V503 HydrophobicContact CG2-CB 4.44Å; V484-V503 HydrophobicContact CG2-CG1 3.6Å; V484-V503 HydrophobicContact CG2-CG2 3.9Å; L499-V503 HydrophobicContact CD2-CB 4.35Å; L499-V503 HydrophobicContact CD2-CG1 4.44Å; L499-V503 HydrophobicContact CD2-CG2 4.21Å |
| 504 | G | 94.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | -89.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S434 T449 C450 E481 D482 | S434-G504 WeakPolarHBondContact OG-CA 3.39Å; S434-G504 PolarHBondContact OG-O 2.77Å; T449-G504 PolarHBondContact N-O 2.86Å; C450-G504 PolarHBondContact N-O 2.86Å; E481-G504 PolarHBondContact O-N 2.77Å; D482-G504 CarbonylContact O-C 3.59Å; D482-G504 WeakPolarHBondContact O-CA 3.32Å |
| 505 | I | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 125.9 | -175.8 | -47 | 179.8 | 0 | 0 | 0 | 110.8 | V430 S434 C450 F452 M467 L471 D482 V483 V484 | V430-I505 HydrophobicContact CG1-CD1 4.26Å; S434-I505 WeakPolarHBondContact OG-CG1 3.35Å; S434-I505 PolarHBondContact OG-N 3.08Å; C450-I505 HydrophobicContact CB-CG1 4.31Å; C450-I505 HydrophobicContact CB-CG2 4.46Å; C450-I505 CarbonylContact O-C 3.59Å; C450-I505 WeakPolarHBondContact O-CA 3.22Å; F452-I505 HydrophobicContact CB-CG2 3.98Å; M467-I505 HydrophobicContact CE-CD1 3.92Å; M467-I505 HydrophobicContact CE-CG2 3.86Å; M467-I505 HydrophobicContact CG-CD1 4.13Å; M467-I505 HydrophobicContact SD-CD1 3.8Å; M467-I505 HydrophobicContact SD-CG2 4.08Å; L471-I505 HydrophobicContact CD1-CD1 4.25Å; D482-I505 PolarHBondContact O-N 2.97Å; V483-I505 CarbonylContact C-O 3.54Å; V483-I505 WeakPolarHBondContact CA-O 3.33Å; V483-I505 HydrophobicContact CG1-CB 4.47Å; V483-I505 HydrophobicContact CG2-CB 4.43Å; V483-I505 HydrophobicContact CG2-CD1 4.45Å; V484-I505 PolarHBondContact N-O 2.98Å |
| 506 | L | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 115 | 160.5 | 172 | 62.9 | 0 | 0 | 0 | 108.9 | P448 C450 F452 V484 H486 L499 T508 L513 L516 F526 | P448-L506 HydrophobicContact CB-CB 3.78Å; P448-L506 HydrophobicContact CG-CB 3.86Å; P448-L506 HydrophobicContact CG-CD2 4.4Å; C450-L506 PolarHBondContact O-N 2.85Å; F452-L506 PolarHBondContact N-O 2.76Å; V484-L506 HydrophobicContact CG1-CD1 4.35Å; V484-L506 WeakPolarHBondContact O-CA 3.27Å; H486-L506 HydrophobicContact CB-CD1 4.46Å; L499-L506 HydrophobicContact CD1-CD1 4.35Å; L499-L506 HydrophobicContact CD1-CD2 4.03Å; L499-L506 HydrophobicContact CD2-CD1 4.46Å; L506-T508 HydrophobicContact CG-CG2 4.39Å; L506-L513 HydrophobicContact CD2-CD1 4.29Å; L506-L516 HydrophobicContact CD1-CD1 4.36Å; L506-L516 HydrophobicContact CD2-CD1 3.92Å; L506-F526 HydrophobicContact CD2-CE1 3.81Å; L506-F526 HydrophobicContact CD2-CZ 3.9Å |
| 507 | L | 98.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 121.1 | 179.2 | 168 | 67.4 | 0 | 0 | 0 | 111 | F452 I463 E464 M467 V484 T485 H486 W487 | F452-L507 HydrophobicContact CB-CB 4.35Å; F452-L507 HydrophobicContact CB-CD1 3.89Å; F452-L507 HydrophobicContact CD1-CD1 3.55Å; F452-L507 HydrophobicContact CE1-CD1 4.43Å; F452-L507 HydrophobicContact CG-CD1 3.98Å; F452-L507 WeakPolarHBondContact O-CA 3.49Å; I463-L507 HydrophobicContact CB-CD2 4.47Å; I463-L507 HydrophobicContact CG2-CD1 4.4Å; I463-L507 HydrophobicContact CG2-CD2 4.28Å; E464-L507 HydrophobicContact CB-CD2 3.88Å; M467-L507 HydrophobicContact SD-CD2 3.93Å; V484-L507 PolarHBondContact O-N 3.29Å; T485-L507 WeakPolarHBondContact CA-O 3.37Å; T485-L507 HydrophobicContact CG2-CB 4.08Å; T485-L507 HydrophobicContact CG2-CD2 4Å; T485-L507 HydrophobicContact CG2-CG 4.28Å; H486-L507 PolarHBondContact N-O 3.43Å; W487-L507 HydrophobicContact CH2-CD1 4.14Å; W487-L507 HydrophobicContact CH2-CG 3.97Å; W487-L507 HydrophobicContact CZ2-CD1 4.38Å; W487-L507 HydrophobicContact CZ2-CD2 4.15Å; W487-L507 HydrophobicContact CZ2-CG 3.76Å |
| 508 | T | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | -170.9 | -169.6 | -166.5 | 0 | 0 | 0 | 0 | 113.6 | F452 V453 C454 H486 W487 L506 L512 L513 | F452-T508 PolarHBondContact O-N 2.87Å; V453-T508 WeakPolarHBondContact CA-O 3.34Å; C454-T508 PolarHBondContact N-O 3.02Å; H486-T508 WeakPolarHBondContact O-CB 3.23Å; H486-T508 PolarHBondContact O-OG1 3.5Å; W487-T508 VanDerWaalsContact CZ3-C 3.41Å; L506-T508 HydrophobicContact CG-CG2 4.39Å; T508-L512 VanDerWaalsContact OG1-CB 3.27Å; T508-L512 WeakPolarHBondContact OG1-CB 3.46Å; T508-L513 HydrophobicContact CG2-CB 3.85Å |
| 509 | S | 95.5 | Very high | 92.7 | Very high | 12 Ų | 12 | 29.9 Ų | 29.9 | 8% | 0.084 | 14% | 0.142 | C | C | . | . | trans | -106.2 | 168.6 | 173 | 62.8 | 0 | 0 | 0 | 0 | 112.4 | D511 L512 L513 | S509-D511 WeakPolarHBondContact CB-OD1 3.38Å; S509-D511 PolarHBondContact O-N 2.94Å; S509-D511 PolarHBondContact OG-OD1 3.16Å; S509-L512 PolarHBondContact O-N 2.75Å; S509-L512 WeakPolarHBondContact OG-CD1 3.37Å; S509-L512 VanDerWaalsContact OG-CG 3.29Å; S509-L512 WeakPolarHBondContact OG-CG 3.5Å; S509-L513 WeakPolarHBondContact O-CB 3.5Å; S509-L513 PolarHBondContact O-N 3.39Å | ||
| 510 | V | 94.4 | Very high | 91.8 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.018 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.2 | -48 | -176.7 | 170.5 | 0 | 0 | 0 | 0 | 113.3 | V453 L514 M542 L546 D549 L553 | V453-V510 HydrophobicContact CG1-CG2 3.76Å; V510-L514 HydrophobicContact CG1-CD1 4.49Å; V510-L514 WeakPolarHBondContact O-CB 3.46Å; V510-L514 PolarHBondContact O-N 3.27Å; V510-M542 HydrophobicContact CG2-CB 4.01Å; V510-M542 HydrophobicContact CG2-CG 4.07Å; V510-M542 HydrophobicContact CG2-SD 3.57Å; V510-M542 VanDerWaalsContact CG2-SD 3.57Å; V510-L546 HydrophobicContact CB-CD1 4.33Å; V510-D549 HydrophobicContact CG1-CB 4.19Å; V510-L553 HydrophobicContact CB-CD2 4.33Å; V510-L553 HydrophobicContact CG1-CB 4.22Å; V510-L553 HydrophobicContact CG1-CD2 4.04Å; V510-L553 HydrophobicContact CG2-CD2 4.12Å |
| 511 | D | 91.5 | Very high | 90.3 | Very high | 33 Ų | 33 | 29.8 Ų | 29.8 | 18% | 0.176 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.3 | -38.6 | -176.9 | 61.6 | -40.6 | 0 | 0 | 0 | 112.4 | K489 S509 L514 Q515 L546 | K489-D511 WeakPolarHBondContact CE-OD2 3.23Å; K489-D511 IonicContact NZ-OD2 2.72Å; K489-D511 PolarHBondContact NZ-OD2 3.38Å; S509-D511 WeakPolarHBondContact CB-OD1 3.38Å; S509-D511 PolarHBondContact O-N 2.94Å; S509-D511 PolarHBondContact OG-OD1 3.16Å; D511-L514 PolarHBondContact O-N 3.18Å; D511-Q515 WeakPolarHBondContact O-CG 3.49Å; D511-Q515 PolarHBondContact O-N 3.25Å; D511-L546 HydrophobicContact CB-CD1 3.9Å |
| 512 | L | 94.1 | Very high | 88.8 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.4 | -41.4 | 175.9 | -66.9 | -178.8 | 0 | 0 | 0 | 111.9 | H486 W487 K489 T508 S509 Q515 L516 | H486-L512 VanDerWaalsContact O-CD1 3.25Å; H486-L512 WeakPolarHBondContact O-CD1 3.35Å; W487-L512 VanDerWaalsContact C-CD1 3.44Å; W487-L512 VanDerWaalsContact CA-CD1 3.4Å; K489-L512 HydrophobicContact CD-CD2 4.2Å; K489-L512 HydrophobicContact CG-CD2 3.41Å; K489-L512 VanDerWaalsContact CG-CD2 3.41Å; T508-L512 VanDerWaalsContact OG1-CB 3.27Å; T508-L512 WeakPolarHBondContact OG1-CB 3.46Å; S509-L512 PolarHBondContact O-N 2.75Å; S509-L512 WeakPolarHBondContact OG-CD1 3.37Å; S509-L512 VanDerWaalsContact OG-CG 3.29Å; S509-L512 WeakPolarHBondContact OG-CG 3.5Å; L512-Q515 PolarHBondContact O-N 2.89Å; L512-L516 PolarHBondContact O-N 3.47Å |
| 513 | L | 94.9 | Very high | 87.5 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.9 | -45.8 | 170.9 | -178.5 | 56.9 | 0 | 0 | 0 | 111 | I451 V453 L506 T508 S509 Q515 L516 L517 F526 L553 | I451-L513 HydrophobicContact CG2-CD1 4.19Å; I451-L513 HydrophobicContact CG2-CD2 3.83Å; V453-L513 HydrophobicContact CG2-CD2 3.54Å; L506-L513 HydrophobicContact CD2-CD1 4.29Å; T508-L513 HydrophobicContact CG2-CB 3.85Å; S509-L513 WeakPolarHBondContact O-CB 3.5Å; S509-L513 PolarHBondContact O-N 3.39Å; L513-Q515 VanDerWaalsContact C-N 3.28Å; L513-Q515 PolarHBondContact O-N 3.26Å; L513-L516 PolarHBondContact O-N 3.06Å; L513-L516 VanDerWaalsContact O-N 3.14Å; L513-L517 HydrophobicContact CD1-CD1 4.27Å; L513-L517 HydrophobicContact CD1-CD2 4.25Å; L513-L517 HydrophobicContact CD1-CG 4.03Å; L513-L517 HydrophobicContact CG-CD1 3.93Å; L513-L517 HydrophobicContact CG-CG 4.17Å; L513-L517 VanDerWaalsContact O-CG 3.28Å; L513-L517 WeakPolarHBondContact O-CG 3.38Å; L513-L517 PolarHBondContact O-N 3.29Å; L513-F526 HydrophobicContact CD1-CE1 4.43Å; L513-F526 HydrophobicContact CD1-CZ 3.98Å; L513-L553 HydrophobicContact CD2-CD1 3.75Å; L513-L553 HydrophobicContact CD2-CD2 4.1Å; L513-L553 HydrophobicContact CG-CD1 4.12Å |
| 514 | L | 92.1 | Very high | 86.7 | Confident | 12 Ų | 12 | 32.2 Ų | 32.2 | 6% | 0.063 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.5 | -35.5 | 175.7 | -84.2 | 175.4 | 0 | 0 | 0 | 113.1 | V510 D511 L517 N518 D549 K552 L553 R556 | V510-L514 HydrophobicContact CG1-CD1 4.49Å; V510-L514 WeakPolarHBondContact O-CB 3.46Å; V510-L514 PolarHBondContact O-N 3.27Å; D511-L514 PolarHBondContact O-N 3.18Å; L514-L517 PolarHBondContact O-N 2.93Å; L514-N518 WeakPolarHBondContact O-CB 3.29Å; L514-N518 VanDerWaalsContact O-CG 3.26Å; L514-N518 PolarHBondContact O-N 3.26Å; L514-N518 PolarHBondContact O-ND2 3.04Å; L514-D549 HydrophobicContact CD1-CB 3.86Å; L514-D549 VanDerWaalsContact CD1-O 3.23Å; L514-D549 WeakPolarHBondContact CD1-O 3.42Å; L514-K552 HydrophobicContact CD1-CB 4.04Å; L514-K552 HydrophobicContact CD2-CB 4.49Å; L514-L553 HydrophobicContact CD1-CB 4.34Å; L514-L553 HydrophobicContact CD2-CB 4.3Å; L514-L553 HydrophobicContact CD2-CD1 4.38Å; L514-L553 HydrophobicContact CG-CB 4.19Å; L514-L553 HydrophobicContact CG-CD1 4.47Å; L514-R556 HydrophobicContact CD2-CG 4.33Å |
| 515 | Q | 90.7 | Very high | 86.3 | Confident | 63 Ų | 63 | 32.3 Ų | 32.3 | 29% | 0.294 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.5 | -48.7 | 172.1 | -75.5 | -178.7 | -45.1 | 0 | 0 | 111.1 | K489 D511 L512 L513 L517 N518 H519 | K489-Q515 VanDerWaalsContact CE-OE1 3.29Å; D511-Q515 WeakPolarHBondContact O-CG 3.49Å; D511-Q515 PolarHBondContact O-N 3.25Å; L512-Q515 PolarHBondContact O-N 2.89Å; L513-Q515 VanDerWaalsContact C-N 3.28Å; L513-Q515 PolarHBondContact O-N 3.26Å; Q515-L517 PolarHBondContact O-N 3.47Å; Q515-N518 PolarHBondContact O-N 3.47Å; Q515-H519 PolarHBondContact O-CD2 2.92Å; Q515-H519 PolarHBondContact O-N 3.04Å |
| 516 | L | 92.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.4 | -45.2 | 175 | -68.9 | 171.5 | 0 | 0 | 0 | 112.4 | L492 I495 V496 L499 L506 L512 L513 N518 H519 N520 I525 F526 | L492-L516 HydrophobicContact CD1-CD2 3.67Å; L492-L516 HydrophobicContact CD1-CG 4.33Å; I495-L516 HydrophobicContact CG2-CD1 4.05Å; I495-L516 HydrophobicContact CG2-CD2 3.97Å; V496-L516 HydrophobicContact CG2-CD2 3.87Å; L499-L516 HydrophobicContact CD1-CD1 4.05Å; L499-L516 HydrophobicContact CD1-CD2 4.29Å; L506-L516 HydrophobicContact CD1-CD1 4.36Å; L506-L516 HydrophobicContact CD2-CD1 3.92Å; L512-L516 PolarHBondContact O-N 3.47Å; L513-L516 PolarHBondContact O-N 3.06Å; L513-L516 VanDerWaalsContact O-N 3.14Å; L516-N518 VanDerWaalsContact C-N 3.34Å; L516-N518 PolarHBondContact O-N 2.89Å; L516-H519 CarbonylContact O-C 3.56Å; L516-H519 PolarHBondContact O-N 2.81Å; L516-H519 VanDerWaalsContact O-N 3.16Å; L516-N520 PolarHBondContact O-N 2.75Å; L516-I525 HydrophobicContact CB-CD1 4.38Å; L516-I525 HydrophobicContact CD2-CD1 4.25Å; L516-F526 HydrophobicContact CB-CE2 3.92Å; L516-F526 HydrophobicContact CB-CZ 4.02Å |
| 517 | L | 88.5 | Confident | 85.4 | Confident | 12 Ų | 12 | 34.8 Ų | 34.8 | 6% | 0.063 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.7 | -35.8 | 179.5 | -62.3 | 173.2 | 0 | 0 | 0 | 112.3 | L513 L514 Q515 N520 F526 L553 M560 | L513-L517 HydrophobicContact CD1-CD1 4.27Å; L513-L517 HydrophobicContact CD1-CD2 4.25Å; L513-L517 HydrophobicContact CD1-CG 4.03Å; L513-L517 HydrophobicContact CG-CD1 3.93Å; L513-L517 HydrophobicContact CG-CG 4.17Å; L513-L517 VanDerWaalsContact O-CG 3.28Å; L513-L517 WeakPolarHBondContact O-CG 3.38Å; L513-L517 PolarHBondContact O-N 3.29Å; L514-L517 PolarHBondContact O-N 2.93Å; Q515-L517 PolarHBondContact O-N 3.47Å; L517-N520 WeakPolarHBondContact O-CB 3.2Å; L517-F526 HydrophobicContact CD2-CD2 3.8Å; L517-F526 HydrophobicContact CD2-CE1 4.49Å; L517-F526 HydrophobicContact CD2-CE2 3.62Å; L517-F526 HydrophobicContact CD2-CG 4.33Å; L517-F526 HydrophobicContact CD2-CZ 4Å; L517-F526 HydrophobicContact CG-CE2 4.38Å; L517-L553 HydrophobicContact CD1-CD1 3.74Å; L517-M560 HydrophobicContact CB-SD 4.22Å; L517-M560 HydrophobicContact CD1-SD 4.44Å; L517-M560 HydrophobicContact CD2-CE 3.56Å; L517-M560 HydrophobicContact CD2-SD 3.72Å; L517-M560 HydrophobicContact CG-SD 4.32Å |
| 518 | N | 85.4 | Confident | 84.8 | Confident | 102 Ų | 102 | 36.9 Ų | 36.9 | 55% | 0.545 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -73.6 | -26.7 | 174.3 | -70.7 | -44.5 | 0 | 0 | 0 | 112.8 | L514 Q515 L516 N520 R556 | L514-N518 WeakPolarHBondContact O-CB 3.29Å; L514-N518 VanDerWaalsContact O-CG 3.26Å; L514-N518 PolarHBondContact O-N 3.26Å; L514-N518 PolarHBondContact O-ND2 3.04Å; Q515-N518 PolarHBondContact O-N 3.47Å; L516-N518 VanDerWaalsContact C-N 3.34Å; L516-N518 PolarHBondContact O-N 2.89Å; N518-N520 VanDerWaalsContact C-N 3.28Å; N518-N520 PolarHBondContact O-N 3.05Å; N518-R556 PolarHBondContact OD1-NH2 3.42Å |
| 519 | H | 80.1 | Confident | 84.3 | Confident | 108 Ų | 108 | 40.9 Ų | 40.9 | 50% | 0.5 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 23.5 | 174.6 | -77.2 | -75.8 | 0 | 0 | 0 | 113.7 | Q515 L516 P521 | Q515-H519 PolarHBondContact O-CD2 2.92Å; Q515-H519 PolarHBondContact O-N 3.04Å; L516-H519 CarbonylContact O-C 3.56Å; L516-H519 PolarHBondContact O-N 2.81Å; L516-H519 VanDerWaalsContact O-N 3.16Å; H519-P521 VanDerWaalsContact C-CD 3.41Å; H519-P521 WeakPolarHBondContact O-CD 3.45Å |
| 520 | N | 74.1 | Confident | 84 | Confident | 20 Ų | 20 | 40.6 Ų | 40.6 | 11% | 0.107 | 23% | 0.234 | C | C | . | . | trans | -113.4 | 66.1 | -177.4 | -175 | 47.4 | 0 | 0 | 0 | 112.3 | L516 L517 N518 V522 G523 S524 I525 F526 | L516-N520 PolarHBondContact O-N 2.75Å; L517-N520 WeakPolarHBondContact O-CB 3.2Å; N518-N520 VanDerWaalsContact C-N 3.28Å; N518-N520 PolarHBondContact O-N 3.05Å; N520-V522 PolarHBondContact O-N 3.09Å; N520-G523 VanDerWaalsContact OD1-C 3.22Å; N520-G523 VanDerWaalsContact OD1-CA 3.3Å; N520-G523 WeakPolarHBondContact OD1-CA 3.41Å; N520-S524 PolarHBondContact OD1-N 2.73Å; N520-I525 HydrophobicContact CB-CD1 4.34Å; N520-I525 HydrophobicContact CB-CG1 3.96Å; N520-I525 VanDerWaalsContact OD1-CG1 3.31Å; N520-I525 WeakPolarHBondContact OD1-CG1 3.08Å; N520-I525 PolarHBondContact OD1-N 3.23Å; N520-F526 HydrophobicContact CB-CD2 4.27Å | ||
| 521 | P | 60.5 | Low | 83.9 | Confident | 113 Ų | 113 | 40.5 Ų | 40.5 | 73% | 0.734 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -36.6 | -163.7 | 21.1 | -33.9 | 0 | 0 | 0 | 115.3 | H519 | H519-P521 VanDerWaalsContact C-CD 3.41Å; H519-P521 WeakPolarHBondContact O-CD 3.45Å |
| 522 | V | 59.2 | Low | 84 | Confident | 129 Ų | 129 | 42.8 Ų | 42.8 | 78% | 0.782 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -143.5 | 64.9 | 170.8 | -167.7 | 0 | 0 | 0 | 0 | 110.1 | N520 S524 | N520-V522 PolarHBondContact O-N 3.09Å; V522-S524 PolarHBondContact O-N 3.18Å |
| 523 | G | 65.1 | Low | 84.1 | Confident | 21 Ų | 21 | 42.9 Ų | 42.9 | 22% | 0.216 | 24% | 0.243 | C | C | . | . | S | Bend | trans | 57.8 | 29.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R446 N520 F526 | R446-G523 PolarHBondContact NE-O 3.32Å; R446-G523 PolarHBondContact NH2-O 3.49Å; N520-G523 VanDerWaalsContact OD1-C 3.22Å; N520-G523 VanDerWaalsContact OD1-CA 3.3Å; N520-G523 WeakPolarHBondContact OD1-CA 3.41Å; G523-F526 CarbonylContact C-O 3.58Å |
| 524 | S | 77 | Confident | 84.1 | Confident | 44 Ų | 44 | 42.8 Ų | 42.8 | 31% | 0.308 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -76.6 | -20 | -171.2 | 49 | 0 | 0 | 0 | 0 | 114.3 | N520 V522 | N520-S524 PolarHBondContact OD1-N 2.73Å; V522-S524 PolarHBondContact O-N 3.18Å |
| 525 | I | 87.1 | Confident | 84.4 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -128.8 | -4.3 | 177.3 | 53.9 | 168.3 | 0 | 0 | 0 | 113.4 | G447 V496 L499 K500 L516 N520 | G447-I525 WeakPolarHBondContact CA-O 3.44Å; V496-I525 HydrophobicContact CG1-CG2 4.16Å; V496-I525 HydrophobicContact CG2-CD1 4.21Å; L499-I525 HydrophobicContact CB-CB 3.93Å; L499-I525 HydrophobicContact CB-CG2 4.09Å; K500-I525 HydrophobicContact CG-CG2 4.26Å; L516-I525 HydrophobicContact CB-CD1 4.38Å; L516-I525 HydrophobicContact CD2-CD1 4.25Å; N520-I525 HydrophobicContact CB-CD1 4.34Å; N520-I525 HydrophobicContact CB-CG1 3.96Å; N520-I525 VanDerWaalsContact OD1-CG1 3.31Å; N520-I525 WeakPolarHBondContact OD1-CG1 3.08Å; N520-I525 PolarHBondContact OD1-N 3.23Å |
| 526 | F | 87.4 | Confident | 84.7 | Confident | 7 Ų | 7 | 39.3 Ų | 39.3 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | trans | -132.2 | 120 | 171.8 | -65.3 | -76.8 | 0 | 0 | 0 | 110.2 | P448 I451 L499 L506 L513 L516 L517 N520 G523 F561 | P448-F526 HydrophobicContact CG-CD1 4.16Å; P448-F526 HydrophobicContact CG-CE1 4.03Å; I451-F526 HydrophobicContact CD1-CD1 4.02Å; I451-F526 HydrophobicContact CD1-CE1 3.8Å; I451-F526 HydrophobicContact CG1-CE1 4.47Å; L499-F526 HydrophobicContact CD1-CZ 4.49Å; L506-F526 HydrophobicContact CD2-CE1 3.81Å; L506-F526 HydrophobicContact CD2-CZ 3.9Å; L513-F526 HydrophobicContact CD1-CE1 4.43Å; L513-F526 HydrophobicContact CD1-CZ 3.98Å; L516-F526 HydrophobicContact CB-CE2 3.92Å; L516-F526 HydrophobicContact CB-CZ 4.02Å; L517-F526 HydrophobicContact CD2-CD2 3.8Å; L517-F526 HydrophobicContact CD2-CE1 4.49Å; L517-F526 HydrophobicContact CD2-CE2 3.62Å; L517-F526 HydrophobicContact CD2-CG 4.33Å; L517-F526 HydrophobicContact CD2-CZ 4Å; L517-F526 HydrophobicContact CG-CE2 4.38Å; N520-F526 HydrophobicContact CB-CD2 4.27Å; G523-F526 CarbonylContact C-O 3.58Å; F526-F561 HydrophobicContact CD1-CZ 4.48Å | ||
| 527 | D | 87.6 | Confident | 84.9 | Confident | 46 Ų | 46 | 39.4 Ų | 39.4 | 25% | 0.246 | 23% | 0.226 | C | C | . | . | trans | -97.5 | 111.5 | 169 | 171 | 1 | 0 | 0 | 0 | 108.9 | R441 R446 Q529 A530 V531 | R441-D527 IonicContact NH2-OD2 2.69Å; R441-D527 PolarHBondContact NH2-OD2 3.26Å; R446-D527 HydrophobicContact CG-CB 4.38Å; D527-Q529 PolarHBondContact O-N 3.23Å; D527-Q529 PolarHBondContact OD1-N 2.78Å; D527-A530 HydrophobicContact CB-CB 3.78Å; D527-A530 PolarHBondContact O-N 3.37Å; D527-A530 PolarHBondContact OD1-N 2.99Å; D527-A530 WeakPolarHBondContact OD2-CB 3.5Å; D527-V531 PolarHBondContact O-N 2.86Å | ||
| 528 | A | 85 | Confident | 85.2 | Confident | 43 Ų | 43 | 39.4 Ų | 39.4 | 36% | 0.355 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -18.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | M560 | A528-M560 WeakPolarHBondContact CB-O 3.05Š|
| 529 | Q | 87.4 | Confident | 85.6 | Confident | 84 Ų | 84 | 34.5 Ų | 34.5 | 39% | 0.393 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -14.2 | 174.2 | -64.1 | -61.8 | -58.9 | 0 | 0 | 112.4 | D527 K532 | D527-Q529 PolarHBondContact O-N 3.23Å; D527-Q529 PolarHBondContact OD1-N 2.78Å; Q529-K532 PolarHBondContact O-NZ 2.87Å |
| 530 | A | 89.5 | Confident | 86.1 | Confident | 7 Ų | 7 | 30.2 Ų | 30.2 | 6% | 0.058 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -35.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D527 K532 | D527-A530 HydrophobicContact CB-CB 3.78Å; D527-A530 PolarHBondContact O-N 3.37Å; D527-A530 PolarHBondContact OD1-N 2.99Å; D527-A530 WeakPolarHBondContact OD2-CB 3.5Å; A530-K532 WeakPolarHBondContact O-CG 3.3Å; A530-K532 PolarHBondContact O-N 3.39Å |
| 531 | V | 93 | Very high | 86.8 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | trans | -66.4 | 103.6 | 176.5 | 179.4 | 0 | 0 | 0 | 0 | 109.2 | P448 T449 I451 D527 I534 F561 C568 | P448-V531 HydrophobicContact CG-CG2 4.43Å; P448-V531 WeakPolarHBondContact O-CG2 2.95Å; T449-V531 CarbonylContact O-C 3.55Å; T449-V531 WeakPolarHBondContact O-CA 3.44Å; I451-V531 HydrophobicContact CD1-CG1 4.12Å; I451-V531 HydrophobicContact CD1-CG2 4.13Å; I451-V531 HydrophobicContact CG1-CG1 4.15Å; I451-V531 HydrophobicContact CG1-CG2 4.39Å; D527-V531 PolarHBondContact O-N 2.86Å; V531-I534 HydrophobicContact CG1-CD1 4.17Å; V531-I534 HydrophobicContact CG1-CG1 3.78Å; V531-F561 HydrophobicContact CB-CD1 3.91Å; V531-F561 HydrophobicContact CB-CE1 3.81Å; V531-F561 HydrophobicContact CG1-CD1 4.15Å; V531-F561 HydrophobicContact CG1-CE1 4.13Å; V531-F561 HydrophobicContact CG2-CD1 4.24Å; V531-F561 HydrophobicContact CG2-CE1 3.61Å; V531-F561 HydrophobicContact CG2-CZ 4.35Å; V531-C568 WeakPolarHBondContact O-CB 3.08Å | ||
| 532 | K | 93.4 | Very high | 88.3 | Confident | 81 Ų | 81 | 24.2 Ų | 24.2 | 35% | 0.352 | 14% | 0.143 | S | C | . | . | trans | -90.5 | -18.8 | -179.8 | -56.7 | -46.7 | -172.5 | -175.9 | 0 | 113.3 | T449 Q529 A530 C568 Q569 | T449-K532 HydrophobicContact CG2-CG 4.15Å; T449-K532 PolarHBondContact O-N 3.45Å; Q529-K532 PolarHBondContact O-NZ 2.87Å; A530-K532 WeakPolarHBondContact O-CG 3.3Å; A530-K532 PolarHBondContact O-N 3.39Å; K532-C568 CarbonylContact O-C 3.6Å; K532-C568 WeakPolarHBondContact O-CA 3.33Å; K532-Q569 PolarHBondContact O-N 2.96Å | ||
| 533 | C | 94.8 | Very high | 89.6 | Confident | 5 Ų | 5 | 19.2 Ų | 19.2 | 3% | 0.034 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 138.6 | -175.2 | -169.3 | 0 | 0 | 0 | 0 | 111.8 | C450 I451 Q569 L571 | C450-C533 WeakPolarHBondContact CA-O 3.38Å; C450-C533 HydrophobicContact CB-CB 4.39Å; I451-C533 PolarHBondContact N-O 3.38Å; C533-Q569 CarbonylContact C-O 3.58Å; C533-Q569 WeakPolarHBondContact CA-O 3.44Å; C533-L571 WeakPolarHBondContact SG-CD1 3.45Å |
| 534 | I | 96.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 127.9 | 168.8 | -58.1 | -176.6 | 0 | 0 | 0 | 108.3 | I451 V531 L536 L557 F561 L563 Q569 L570 L571 | I451-I534 HydrophobicContact CB-CG1 4.28Å; I451-I534 CarbonylContact O-C 3.57Å; I451-I534 VanDerWaalsContact O-CA 3.32Å; I451-I534 WeakPolarHBondContact O-CA 3.46Å; V531-I534 HydrophobicContact CG1-CD1 4.17Å; V531-I534 HydrophobicContact CG1-CG1 3.78Å; I534-L536 HydrophobicContact CG2-CD2 4.24Å; I534-L557 HydrophobicContact CD1-CD2 3.86Å; I534-L557 HydrophobicContact CG2-CD1 4.43Å; I534-F561 HydrophobicContact CD1-CB 4.26Å; I534-F561 HydrophobicContact CD1-CD1 4.47Å; I534-F561 HydrophobicContact CD1-CD2 3.46Å; I534-F561 VanDerWaalsContact CD1-CD2 3.46Å; I534-F561 HydrophobicContact CD1-CE2 3.88Å; I534-F561 HydrophobicContact CD1-CG 3.8Å; I534-L563 HydrophobicContact CD1-CD2 4.35Å; I534-Q569 PolarHBondContact N-O 3.27Å; I534-L570 HydrophobicContact CB-CD1 4.1Å; I534-L570 HydrophobicContact CG2-CD1 4.15Å; I534-L571 PolarHBondContact O-N 2.88Å |
| 535 | A | 97.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.008 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 128.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y426 I451 F452 V453 L571 | Y426-A535 HydrophobicContact CE2-CB 4.13Å; I451-A535 PolarHBondContact O-N 3.08Å; F452-A535 HydrophobicContact CD1-CB 4.41Å; F452-A535 HydrophobicContact CD2-CB 3.56Å; F452-A535 HydrophobicContact CE2-CB 3.72Å; F452-A535 HydrophobicContact CG-CB 3.94Å; F452-A535 HydrophobicContact CZ-CB 4.2Å; V453-A535 PolarHBondContact N-O 2.95Å; A535-L571 CarbonylContact C-O 3.53Å; A535-L571 WeakPolarHBondContact CA-O 3.47Å; A535-L571 HydrophobicContact CB-CB 4.2Å; A535-L571 HydrophobicContact CB-CD1 4.36Å |
| 536 | L | 97.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 84.9 | 176.7 | -54.6 | -179.3 | 0 | 0 | 0 | 108.8 | V453 I534 L539 M542 L554 L557 L570 L571 V572 S573 I586 | V453-L536 HydrophobicContact CB-CD2 3.85Å; V453-L536 HydrophobicContact CG2-CD2 3.84Å; I534-L536 HydrophobicContact CG2-CD2 4.24Å; L536-L539 HydrophobicContact CD1-CD1 4.45Å; L536-M542 HydrophobicContact CB-CE 4.07Å; L536-L554 HydrophobicContact CD1-CD2 3.73Å; L536-L557 HydrophobicContact CD1-CD1 4.34Å; L536-L570 HydrophobicContact CD1-CD1 4.26Å; L536-L570 HydrophobicContact CG-CD1 4.33Å; L536-L571 PolarHBondContact N-O 2.91Å; L536-V572 HydrophobicContact CB-CG2 4.45Å; L536-V572 HydrophobicContact CD1-CG2 4.4Å; L536-S573 PolarHBondContact O-N 3.03Å; L536-I586 HydrophobicContact CD1-CD1 4.5Å |
| 537 | D | 96.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 130.2 | -176.7 | -165.2 | 23.4 | 0 | 0 | 0 | 112.1 | T423 Y426 F452 V453 P455 M542 S573 | T423-D537 WeakPolarHBondContact CB-OD2 3.48Å; T423-D537 WeakPolarHBondContact CG2-OD2 3.44Å; T423-D537 PolarHBondContact OG1-OD1 3.47Å; T423-D537 PolarHBondContact OG1-OD2 2.92Å; Y426-D537 WeakPolarHBondContact OH-CB 3.46Å; Y426-D537 PolarHBondContact OH-OD1 2.91Å; F452-D537 HydrophobicContact CE1-CB 3.7Å; F452-D537 HydrophobicContact CZ-CB 4.04Å; V453-D537 PolarHBondContact O-N 2.73Å; P455-D537 WeakPolarHBondContact CD-O 3.44Å; D537-M542 WeakPolarHBondContact O-CE 3.12Å; D537-S573 WeakPolarHBondContact OD1-CB 3.37Å; D537-S573 PolarHBondContact OD1-OG 3.22Å |
| 538 | N | 93.5 | Very high | 90.1 | Very high | 12 Ų | 12 | 29.3 Ų | 29.3 | 6% | 0.064 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 51.1 | -173.8 | -56.9 | -60 | 0 | 0 | 0 | 113.6 | K422 P455 Q459 N540 D541 M542 S573 | K422-N538 WeakPolarHBondContact CE-OD1 3.44Å; P455-N538 HydrophobicContact CG-CB 3.89Å; Q459-N538 PolarHBondContact OE1-ND2 2.88Å; Q459-N538 VanDerWaalsContact OE1-ND2 3.1Å; N538-N540 PolarHBondContact O-N 2.87Å; N538-N540 VanDerWaalsContact O-N 3.07Å; N538-D541 HydrophobicContact CB-CB 4.21Å; N538-D541 WeakPolarHBondContact O-CA 3.16Å; N538-D541 WeakPolarHBondContact O-CB 3.24Å; N538-D541 PolarHBondContact O-N 3.19Å; N538-M542 PolarHBondContact O-N 3.2Å; N538-S573 CarbonylContact C-O 3.53Å; N538-S573 WeakPolarHBondContact CA-O 3.46Å; N538-S573 PolarHBondContact N-O 2.89Å; N538-S573 PolarHBondContact N-OG 3Å |
| 539 | L | 94.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -48.1 | -37.1 | 178.9 | 178.9 | 65.5 | 0 | 0 | 0 | 114 | L536 D541 M542 V543 T550 V572 S573 L581 M582 I586 | L536-L539 HydrophobicContact CD1-CD1 4.45Å; L539-D541 VanDerWaalsContact C-N 3.29Å; L539-D541 PolarHBondContact O-N 3.33Å; L539-M542 HydrophobicContact CD1-SD 4.09Å; L539-M542 WeakPolarHBondContact O-CB 3.49Å; L539-M542 PolarHBondContact O-N 3.2Å; L539-M542 VanDerWaalsContact O-N 3.15Å; L539-V543 HydrophobicContact CD1-CG2 4.35Å; L539-V543 WeakPolarHBondContact O-CG2 3.15Å; L539-V543 PolarHBondContact O-N 3.04Å; L539-T550 HydrophobicContact CD1-CG2 3.85Å; L539-V572 HydrophobicContact CB-CG1 4.1Å; L539-V572 HydrophobicContact CD2-CG1 3.77Å; L539-S573 PolarHBondContact N-O 2.68Å; L539-L581 HydrophobicContact CD2-CD2 3.94Å; L539-L581 HydrophobicContact CD2-CG 4.35Å; L539-L581 HydrophobicContact CG-CD2 4.15Å; L539-M582 HydrophobicContact CD2-CE 4.42Å; L539-I586 HydrophobicContact CD2-CD1 3.53Å; L539-I586 HydrophobicContact CD2-CG1 3.72Å |
| 540 | N | 90.5 | Very high | 90.5 | Very high | 18 Ų | 18 | 25.3 Ų | 25.3 | 10% | 0.096 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.7 | -31.8 | 176.2 | -52.3 | 102.9 | 0 | 0 | 0 | 113.3 | N538 R544 G574 R575 I576 | N538-N540 PolarHBondContact O-N 2.87Å; N538-N540 VanDerWaalsContact O-N 3.07Å; N540-R544 WeakPolarHBondContact O-CB 3.44Å; N540-R544 PolarHBondContact O-N 3.05Å; N540-G574 WeakPolarHBondContact OD1-CA 3.41Å; N540-R575 PolarHBondContact OD1-N 2.76Å; N540-I576 PolarHBondContact ND2-O 3.04Å; N540-I576 PolarHBondContact OD1-N 2.8Å; N540-I576 VanDerWaalsContact OD1-N 3.07Å; N540-I576 PolarHBondContact OD1-O 3.2Å |
| 541 | D | 89 | Confident | 90.5 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.011 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -71.8 | -35.7 | 173.8 | -72.4 | -42.1 | 0 | 0 | 0 | 110.2 | P455 N538 L539 R544 V545 R575 | P455-D541 HydrophobicContact CB-CB 3.74Å; P455-D541 HydrophobicContact CG-CB 3.54Å; N538-D541 HydrophobicContact CB-CB 4.21Å; N538-D541 WeakPolarHBondContact O-CA 3.16Å; N538-D541 WeakPolarHBondContact O-CB 3.24Å; N538-D541 PolarHBondContact O-N 3.19Å; L539-D541 VanDerWaalsContact C-N 3.29Å; L539-D541 PolarHBondContact O-N 3.33Å; D541-R544 PolarHBondContact O-N 3.44Å; D541-R544 IonicContact OD1-CZ 2.75Å; D541-R544 IonicContact OD1-NH1 3.54Å; D541-R544 PolarHBondContact OD1-NH1 2.99Å; D541-R544 IonicContact OD1-NH2 2.68Å; D541-R544 PolarHBondContact OD1-NH2 2.99Å; D541-V545 WeakPolarHBondContact O-CG2 3.33Å; D541-V545 PolarHBondContact O-N 3.42Å; D541-V545 VanDerWaalsContact O-N 3.17Å; D541-R575 IonicContact OD1-CZ 2.74Å; D541-R575 IonicContact OD1-NE 3.43Å; D541-R575 PolarHBondContact OD1-NE 2.7Å; D541-R575 IonicContact OD1-NH2 3.27Å; D541-R575 PolarHBondContact OD1-NH2 3.18Å; D541-R575 IonicContact OD2-CZ 2.88Å; D541-R575 IonicContact OD2-NE 3.85Å; D541-R575 PolarHBondContact OD2-NE 3.49Å; D541-R575 IonicContact OD2-NH2 3.78Å; D541-R575 PolarHBondContact OD2-NH2 3.4Å |
| 542 | M | 90.8 | Very high | 90.4 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.02 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.8 | -51.6 | 172.1 | -52.7 | -177.2 | -165.2 | 0 | 0 | 111.3 | V453 P455 V510 L536 D537 N538 L539 R544 V545 L546 T550 | V453-M542 HydrophobicContact CB-CE 4.06Å; V453-M542 HydrophobicContact CG1-CE 3.95Å; V453-M542 HydrophobicContact CG1-SD 3.99Å; V453-M542 VanDerWaalsContact O-CE 3.22Å; V453-M542 WeakPolarHBondContact O-CE 3.27Å; P455-M542 HydrophobicContact CB-CG 4.24Å; P455-M542 HydrophobicContact CG-CG 4.08Å; V510-M542 HydrophobicContact CG2-CB 4.01Å; V510-M542 HydrophobicContact CG2-CG 4.07Å; V510-M542 HydrophobicContact CG2-SD 3.57Å; V510-M542 VanDerWaalsContact CG2-SD 3.57Å; L536-M542 HydrophobicContact CB-CE 4.07Å; D537-M542 WeakPolarHBondContact O-CE 3.12Å; N538-M542 PolarHBondContact O-N 3.2Å; L539-M542 HydrophobicContact CD1-SD 4.09Å; L539-M542 WeakPolarHBondContact O-CB 3.49Å; L539-M542 PolarHBondContact O-N 3.2Å; L539-M542 VanDerWaalsContact O-N 3.15Å; M542-R544 PolarHBondContact O-N 3.42Å; M542-V545 PolarHBondContact O-N 2.9Å; M542-V545 VanDerWaalsContact O-N 3.14Å; M542-L546 CarbonylContact O-C 3.3Å; M542-L546 PolarHBondContact O-N 2.9Å; M542-T550 HydrophobicContact CB-CG2 4.1Å; M542-T550 PolarHBondContact O-OG1 3.28Å |
| 543 | V | 88.1 | Confident | 90.4 | Very high | 25 Ų | 25 | 28 Ų | 28 | 15% | 0.152 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.1 | -24.8 | 179.8 | 175.6 | 0 | 0 | 0 | 0 | 112.3 | L539 P547 T550 L581 | L539-V543 HydrophobicContact CD1-CG2 4.35Å; L539-V543 WeakPolarHBondContact O-CG2 3.15Å; L539-V543 PolarHBondContact O-N 3.04Å; V543-P547 WeakPolarHBondContact O-CA 3Å; V543-P547 VanDerWaalsContact O-CB 3.24Å; V543-P547 WeakPolarHBondContact O-CB 3.4Å; V543-P547 VanDerWaalsContact O-CD 3.31Å; V543-P547 WeakPolarHBondContact O-CD 3.45Å; V543-T550 HydrophobicContact CG2-CG2 3.59Å; V543-L581 HydrophobicContact CG2-CD1 4.28Å; V543-L581 HydrophobicContact CG2-CD2 3.85Å |
| 544 | R | 81.6 | Confident | 90.3 | Very high | 150 Ų | 150 | 28 Ų | 28 | 57% | 0.566 | 14% | 0.138 | S | C | * | . | H | α-helix | trans | -74.1 | -39 | 172.5 | -173.5 | 180 | 64.4 | -103.6 | -6.9 | 112.8 | N540 D541 M542 | N540-R544 WeakPolarHBondContact O-CB 3.44Å; N540-R544 PolarHBondContact O-N 3.05Å; D541-R544 PolarHBondContact O-N 3.44Å; D541-R544 IonicContact OD1-CZ 2.75Å; D541-R544 IonicContact OD1-NH1 3.54Å; D541-R544 PolarHBondContact OD1-NH1 2.99Å; D541-R544 IonicContact OD1-NH2 2.68Å; D541-R544 PolarHBondContact OD1-NH2 2.99Å; M542-R544 PolarHBondContact O-N 3.42Å |
| 545 | V | 81.3 | Confident | 90.1 | Very high | 66 Ų | 66 | 33.3 Ų | 33.3 | 40% | 0.4 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -89.3 | -37 | -173 | -178.7 | 0 | 0 | 0 | 0 | 112 | D541 M542 | D541-V545 WeakPolarHBondContact O-CG2 3.33Å; D541-V545 PolarHBondContact O-N 3.42Å; D541-V545 VanDerWaalsContact O-N 3.17Å; M542-V545 PolarHBondContact O-N 2.9Å; M542-V545 VanDerWaalsContact O-N 3.14Å |
| 546 | L | 84.1 | Confident | 89.7 | Confident | 37 Ų | 37 | 37.6 Ų | 37.6 | 19% | 0.194 | 18% | 0.179 | C | C | . | . | trans | -137.2 | 62.2 | -178 | -65.1 | 174 | 0 | 0 | 0 | 110.7 | V510 D511 M542 N548 D549 T550 D967 | V510-L546 HydrophobicContact CB-CD1 4.33Å; D511-L546 HydrophobicContact CB-CD1 3.9Å; M542-L546 CarbonylContact O-C 3.3Å; M542-L546 PolarHBondContact O-N 2.9Å; L546-N548 PolarHBondContact O-N 3.09Å; L546-D549 HydrophobicContact CB-CB 4.43Å; L546-D549 PolarHBondContact O-N 3.37Å; L546-T550 VanDerWaalsContact O-CB 3.29Å; L546-T550 WeakPolarHBondContact O-CB 3.48Å; L546-T550 PolarHBondContact O-N 3.43Å; L546-T550 PolarHBondContact O-OG1 2.98Å; L546-D967 HydrophobicContact CD2-CB 4.37Å | ||
| 547 | P | 83.8 | Confident | 89.4 | Confident | 33 Ų | 33 | 37.6 Ų | 37.6 | 21% | 0.214 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -54 | -51.1 | -177.8 | 15.6 | -27.2 | 0 | 0 | 0 | 112.7 | V543 D549 T550 M551 D967 | V543-P547 WeakPolarHBondContact O-CA 3Å; V543-P547 VanDerWaalsContact O-CB 3.24Å; V543-P547 WeakPolarHBondContact O-CB 3.4Å; V543-P547 VanDerWaalsContact O-CD 3.31Å; V543-P547 WeakPolarHBondContact O-CD 3.45Å; P547-D549 PolarHBondContact O-N 2.82Å; P547-T550 PolarHBondContact O-N 3.05Å; P547-M551 WeakPolarHBondContact O-CG 3.41Å; P547-M551 PolarHBondContact O-N 3.43Å; P547-D967 WeakPolarHBondContact CD-OD1 3.34Å; P547-D967 WeakPolarHBondContact CD-OD2 3.31Å; P547-D967 WeakPolarHBondContact CG-OD2 3.44Å |
| 548 | N | 82.9 | Confident | 89.1 | Confident | 45 Ų | 45 | 40.6 Ų | 40.6 | 24% | 0.241 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.1 | -44.3 | -174.9 | -73.5 | -82.1 | 0 | 0 | 0 | 112.6 | L546 M551 K552 D967 | L546-N548 PolarHBondContact O-N 3.09Å; N548-M551 PolarHBondContact O-N 2.86Å; N548-K552 WeakPolarHBondContact O-CG 3.28Å; N548-K552 PolarHBondContact O-N 3.49Å; N548-K552 VanDerWaalsContact O-N 3.14Å; N548-D967 WeakPolarHBondContact CB-OD2 3.3Å; N548-D967 PolarHBondContact N-OD2 3.3Å; N548-D967 PolarHBondContact ND2-OD2 2.84Å |
| 549 | D | 88.3 | Confident | 88.9 | Confident | 42 Ų | 42 | 45.8 Ų | 45.8 | 23% | 0.225 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -75.8 | -30 | -179.3 | -70.4 | -20.9 | 0 | 0 | 0 | 111.7 | V510 L514 L546 P547 K552 L553 | V510-D549 HydrophobicContact CG1-CB 4.19Å; L514-D549 HydrophobicContact CD1-CB 3.86Å; L514-D549 VanDerWaalsContact CD1-O 3.23Å; L514-D549 WeakPolarHBondContact CD1-O 3.42Å; L546-D549 HydrophobicContact CB-CB 4.43Å; L546-D549 PolarHBondContact O-N 3.37Å; P547-D549 PolarHBondContact O-N 2.82Å; D549-K552 PolarHBondContact O-N 2.85Å; D549-K552 WeakPolarHBondContact OD1-CD 3.4Å; D549-K552 WeakPolarHBondContact OD1-CE 3.49Å; D549-K552 IonicContact OD1-NZ 3.25Å; D549-K552 PolarHBondContact OD1-NZ 2.87Å; D549-L553 PolarHBondContact O-N 2.94Å |
| 550 | T | 91.7 | Very high | 88.5 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.1 | -41.1 | 171.4 | -51.8 | 0 | 0 | 0 | 0 | 111.1 | L539 M542 V543 L546 P547 L553 L554 | L539-T550 HydrophobicContact CD1-CG2 3.85Å; M542-T550 HydrophobicContact CB-CG2 4.1Å; M542-T550 PolarHBondContact O-OG1 3.28Å; V543-T550 HydrophobicContact CG2-CG2 3.59Å; L546-T550 VanDerWaalsContact O-CB 3.29Å; L546-T550 WeakPolarHBondContact O-CB 3.48Å; L546-T550 PolarHBondContact O-N 3.43Å; L546-T550 PolarHBondContact O-OG1 2.98Å; P547-T550 PolarHBondContact O-N 3.05Å; T550-L553 PolarHBondContact O-N 3.46Å; T550-L554 WeakPolarHBondContact O-CG 3.48Å; T550-L554 PolarHBondContact O-N 2.98Å |
| 551 | M | 90.6 | Very high | 88.4 | Confident | 47 Ų | 47 | 47.5 Ų | 47.5 | 23% | 0.232 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.8 | -41.5 | 175.9 | -65.1 | -42.7 | -56.9 | 0 | 0 | 112.6 | P547 N548 L553 L554 Q555 L581 H585 | P547-M551 WeakPolarHBondContact O-CG 3.41Å; P547-M551 PolarHBondContact O-N 3.43Å; N548-M551 PolarHBondContact O-N 2.86Å; M551-L553 VanDerWaalsContact C-N 3.34Å; M551-L553 PolarHBondContact O-N 2.9Å; M551-L554 HydrophobicContact CE-CD1 4.4Å; M551-L554 PolarHBondContact O-N 3.47Å; M551-L554 HydrophobicContact SD-CD1 4.4Å; M551-Q555 WeakPolarHBondContact O-CG 3.42Å; M551-Q555 PolarHBondContact O-N 3.38Å; M551-Q555 VanDerWaalsContact O-N 3.08Å; M551-L581 HydrophobicContact CE-CD1 4.26Å; M551-L581 HydrophobicContact SD-CD1 3.82Å; M551-H585 HydrophobicContact CE-CB 4.2Å; M551-H585 WeakPolarHBondContact CE-CD2 3.09Å; M551-H585 WeakPolarHBondContact CE-NE2 3.4Å |
| 552 | K | 91.3 | Very high | 88.4 | Confident | 96 Ų | 96 | 52 Ų | 52 | 42% | 0.417 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 173.2 | -68.1 | 168.7 | -158.2 | 163.9 | 0 | 111.6 | L514 N548 D549 Q555 R556 | L514-K552 HydrophobicContact CD1-CB 4.04Å; L514-K552 HydrophobicContact CD2-CB 4.49Å; N548-K552 WeakPolarHBondContact O-CG 3.28Å; N548-K552 PolarHBondContact O-N 3.49Å; N548-K552 VanDerWaalsContact O-N 3.14Å; D549-K552 PolarHBondContact O-N 2.85Å; D549-K552 WeakPolarHBondContact OD1-CD 3.4Å; D549-K552 WeakPolarHBondContact OD1-CE 3.49Å; D549-K552 IonicContact OD1-NZ 3.25Å; D549-K552 PolarHBondContact OD1-NZ 2.87Å; K552-Q555 PolarHBondContact O-N 2.87Å; K552-R556 VanDerWaalsContact O-CG 3.31Å; K552-R556 WeakPolarHBondContact O-CG 3.17Å; K552-R556 PolarHBondContact O-N 3.3Å |
| 553 | L | 93.2 | Very high | 88.2 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.7 | -48.3 | 177.6 | 178.2 | 60.9 | 0 | 0 | 0 | 111 | V510 L513 L514 L517 D549 T550 M551 Q555 R556 L557 | V510-L553 HydrophobicContact CB-CD2 4.33Å; V510-L553 HydrophobicContact CG1-CB 4.22Å; V510-L553 HydrophobicContact CG1-CD2 4.04Å; V510-L553 HydrophobicContact CG2-CD2 4.12Å; L513-L553 HydrophobicContact CD2-CD1 3.75Å; L513-L553 HydrophobicContact CD2-CD2 4.1Å; L513-L553 HydrophobicContact CG-CD1 4.12Å; L514-L553 HydrophobicContact CD1-CB 4.34Å; L514-L553 HydrophobicContact CD2-CB 4.3Å; L514-L553 HydrophobicContact CD2-CD1 4.38Å; L514-L553 HydrophobicContact CG-CB 4.19Å; L514-L553 HydrophobicContact CG-CD1 4.47Å; L517-L553 HydrophobicContact CD1-CD1 3.74Å; D549-L553 PolarHBondContact O-N 2.94Å; T550-L553 PolarHBondContact O-N 3.46Å; M551-L553 VanDerWaalsContact C-N 3.34Å; M551-L553 PolarHBondContact O-N 2.9Å; L553-Q555 VanDerWaalsContact C-N 3.26Å; L553-Q555 PolarHBondContact O-N 3.33Å; L553-R556 PolarHBondContact O-N 2.88Å; L553-L557 HydrophobicContact CD1-CD2 4.09Å; L553-L557 HydrophobicContact CD1-CG 4.3Å; L553-L557 HydrophobicContact CG-CG 4.43Å; L553-L557 WeakPolarHBondContact O-CG 3.48Å; L553-L557 PolarHBondContact O-N 2.81Å |
| 554 | L | 93.3 | Very high | 87.8 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.6 | -31.4 | 178.8 | -66.8 | 178.8 | 0 | 0 | 0 | 113.4 | L536 T550 M551 L557 P558 L581 H585 I586 | L536-L554 HydrophobicContact CD1-CD2 3.73Å; T550-L554 WeakPolarHBondContact O-CG 3.48Å; T550-L554 PolarHBondContact O-N 2.98Å; M551-L554 HydrophobicContact CE-CD1 4.4Å; M551-L554 PolarHBondContact O-N 3.47Å; M551-L554 HydrophobicContact SD-CD1 4.4Å; L554-L557 HydrophobicContact CD2-CD1 4.31Å; L554-P558 VanDerWaalsContact O-CD 3.24Å; L554-P558 WeakPolarHBondContact O-CD 3.26Å; L554-L581 HydrophobicContact CD1-CD1 3.66Å; L554-H585 HydrophobicContact CD1-CB 4.23Å; L554-I586 HydrophobicContact CD1-CD1 3.77Å; L554-I586 HydrophobicContact CD2-CD1 3.52Å; L554-I586 HydrophobicContact CG-CD1 4.29Å |
| 555 | Q | 91.6 | Very high | 87.3 | Confident | 111 Ų | 111 | 50.6 Ų | 50.6 | 52% | 0.519 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -70.6 | -40.8 | 171.8 | -70.6 | 168.2 | -23.1 | 0 | 0 | 112.1 | M551 K552 L553 P558 | M551-Q555 WeakPolarHBondContact O-CG 3.42Å; M551-Q555 PolarHBondContact O-N 3.38Å; M551-Q555 VanDerWaalsContact O-N 3.08Å; K552-Q555 PolarHBondContact O-N 2.87Å; L553-Q555 VanDerWaalsContact C-N 3.26Å; L553-Q555 PolarHBondContact O-N 3.33Å; Q555-P558 WeakPolarHBondContact O-CD 3.28Å; Q555-P558 WeakPolarHBondContact O-CG 3.36Å |
| 556 | R | 90.5 | Very high | 87 | Confident | 92 Ų | 92 | 53.8 Ų | 53.8 | 35% | 0.347 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -71.7 | -30.5 | -179.9 | -70.4 | -61.8 | -144.1 | 162.1 | 10.7 | 114.4 | L514 N518 K552 L553 E559 M560 | L514-R556 HydrophobicContact CD2-CG 4.33Å; N518-R556 PolarHBondContact OD1-NH2 3.42Å; K552-R556 VanDerWaalsContact O-CG 3.31Å; K552-R556 WeakPolarHBondContact O-CG 3.17Å; K552-R556 PolarHBondContact O-N 3.3Å; L553-R556 PolarHBondContact O-N 2.88Å; R556-E559 WeakPolarHBondContact CD-OE2 3.4Å; R556-E559 IonicContact CZ-OE2 2.66Å; R556-E559 IonicContact NE-OE2 3.84Å; R556-E559 IonicContact NH1-OE2 3.78Å; R556-E559 PolarHBondContact NH1-OE2 3.34Å; R556-E559 WeakPolarHBondContact O-CB 3.33Å; R556-E559 PolarHBondContact O-N 2.98Å; R556-E559 VanDerWaalsContact O-N 3.17Å; R556-M560 PolarHBondContact O-N 2.78Å |
| 557 | L | 90.9 | Very high | 87.1 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -54.7 | -51.2 | -177.9 | -72.4 | -177.1 | 0 | 0 | 0 | 113.9 | I534 L536 L553 L554 E559 M560 F561 L563 | I534-L557 HydrophobicContact CD1-CD2 3.86Å; I534-L557 HydrophobicContact CG2-CD1 4.43Å; L536-L557 HydrophobicContact CD1-CD1 4.34Å; L553-L557 HydrophobicContact CD1-CD2 4.09Å; L553-L557 HydrophobicContact CD1-CG 4.3Å; L553-L557 HydrophobicContact CG-CG 4.43Å; L553-L557 WeakPolarHBondContact O-CG 3.48Å; L553-L557 PolarHBondContact O-N 2.81Å; L554-L557 HydrophobicContact CD2-CD1 4.31Å; L557-E559 VanDerWaalsContact C-N 3.32Å; L557-E559 PolarHBondContact O-N 3.14Å; L557-M560 PolarHBondContact O-N 2.99Å; L557-F561 HydrophobicContact CD2-CD2 4.04Å; L557-F561 HydrophobicContact CD2-CE2 4.12Å; L557-F561 WeakPolarHBondContact O-CD2 3.48Å; L557-F561 PolarHBondContact O-N 3.02Å; L557-L563 HydrophobicContact CB-CD1 4.21Å |
| 558 | P | 90.1 | Very high | 87.4 | Confident | 64 Ų | 64 | 54.8 Ų | 54.8 | 42% | 0.416 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -70.2 | -20.2 | 176.6 | 27.3 | -36.1 | 0 | 0 | 0 | 114.8 | L554 Q555 M560 L589 | L554-P558 VanDerWaalsContact O-CD 3.24Å; L554-P558 WeakPolarHBondContact O-CD 3.26Å; Q555-P558 WeakPolarHBondContact O-CD 3.28Å; Q555-P558 WeakPolarHBondContact O-CG 3.36Å; P558-M560 PolarHBondContact O-N 3.27Å; P558-L589 HydrophobicContact CB-CD2 3.92Å; P558-L589 HydrophobicContact CG-CD2 3.93Å |
| 559 | E | 89.3 | Confident | 87.9 | Confident | 121 Ų | 121 | 53.1 Ų | 53.1 | 57% | 0.565 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -66.8 | -29.3 | 171.5 | -60.9 | 174.9 | -171.7 | 0 | 0 | 111.6 | R556 L557 | R556-E559 WeakPolarHBondContact CD-OE2 3.4Å; R556-E559 IonicContact CZ-OE2 2.66Å; R556-E559 IonicContact NE-OE2 3.84Å; R556-E559 IonicContact NH1-OE2 3.78Å; R556-E559 PolarHBondContact NH1-OE2 3.34Å; R556-E559 WeakPolarHBondContact O-CB 3.33Å; R556-E559 PolarHBondContact O-N 2.98Å; R556-E559 VanDerWaalsContact O-N 3.17Å; L557-E559 VanDerWaalsContact C-N 3.32Å; L557-E559 PolarHBondContact O-N 3.14Å |
| 560 | M | 84.9 | Confident | 88.3 | Confident | 44 Ų | 44 | 51.1 Ų | 51.1 | 22% | 0.217 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -111.1 | -23.5 | -169.3 | -64.4 | -172.7 | 64.6 | 0 | 0 | 114.4 | L517 A528 R556 L557 P558 | L517-M560 HydrophobicContact CB-SD 4.22Å; L517-M560 HydrophobicContact CD1-SD 4.44Å; L517-M560 HydrophobicContact CD2-CE 3.56Å; L517-M560 HydrophobicContact CD2-SD 3.72Å; L517-M560 HydrophobicContact CG-SD 4.32Å; A528-M560 WeakPolarHBondContact CB-O 3.05Å; R556-M560 PolarHBondContact O-N 2.78Å; L557-M560 PolarHBondContact O-N 2.99Å; P558-M560 PolarHBondContact O-N 3.27Å |
| 561 | F | 89.3 | Confident | 88.6 | Confident | 9 Ų | 9 | 51 Ų | 51 | 4% | 0.039 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -133.4 | 137.7 | -171.9 | -54.9 | -68.8 | 0 | 0 | 0 | 112.6 | I451 F526 V531 I534 L557 L563 | I451-F561 HydrophobicContact CD1-CE1 4.44Å; I451-F561 HydrophobicContact CD1-CE2 4.24Å; I451-F561 HydrophobicContact CD1-CZ 3.78Å; F526-F561 HydrophobicContact CD1-CZ 4.48Å; V531-F561 HydrophobicContact CB-CD1 3.91Å; V531-F561 HydrophobicContact CB-CE1 3.81Å; V531-F561 HydrophobicContact CG1-CD1 4.15Å; V531-F561 HydrophobicContact CG1-CE1 4.13Å; V531-F561 HydrophobicContact CG2-CD1 4.24Å; V531-F561 HydrophobicContact CG2-CE1 3.61Å; V531-F561 HydrophobicContact CG2-CZ 4.35Å; I534-F561 HydrophobicContact CD1-CB 4.26Å; I534-F561 HydrophobicContact CD1-CD1 4.47Å; I534-F561 HydrophobicContact CD1-CD2 3.46Å; I534-F561 VanDerWaalsContact CD1-CD2 3.46Å; I534-F561 HydrophobicContact CD1-CE2 3.88Å; I534-F561 HydrophobicContact CD1-CG 3.8Å; L557-F561 HydrophobicContact CD2-CD2 4.04Å; L557-F561 HydrophobicContact CD2-CE2 4.12Å; L557-F561 WeakPolarHBondContact O-CD2 3.48Å; L557-F561 PolarHBondContact O-N 3.02Å; F561-L563 HydrophobicContact CB-CD2 4.06Å; F561-L563 HydrophobicContact CB-CG 4.35Å; F561-L563 PolarHBondContact O-N 3.43Å |
| 562 | Q | 88.1 | Confident | 88.9 | Confident | 97 Ų | 97 | 48.8 Ų | 48.8 | 45% | 0.453 | 24% | 0.237 | S | C | . | . | trans | -80.9 | 83.9 | 176.5 | -70.9 | 176.7 | -11.6 | 0 | 0 | 110 | T564 K567 C568 | Q562-T564 PolarHBondContact O-N 3.03Å; Q562-K567 HydrophobicContact CB-CB 4.07Å; Q562-K567 HydrophobicContact CB-CG 4.3Å; Q562-K567 WeakPolarHBondContact O-CB 3.34Å; Q562-C568 WeakPolarHBondContact O-CB 3.49Å; Q562-C568 PolarHBondContact O-N 3.4Å | ||
| 563 | L | 87.6 | Confident | 89.1 | Confident | 16 Ų | 16 | 44.2 Ų | 44.2 | 8% | 0.084 | 22% | 0.217 | C | C | . | . | trans | -75.2 | 70.4 | -176.3 | -59.2 | 177.2 | 0 | 0 | 0 | 112.1 | I534 L557 F561 C568 L570 L589 | I534-L563 HydrophobicContact CD1-CD2 4.35Å; L557-L563 HydrophobicContact CB-CD1 4.21Å; F561-L563 HydrophobicContact CB-CD2 4.06Å; F561-L563 HydrophobicContact CB-CG 4.35Å; F561-L563 PolarHBondContact O-N 3.43Å; L563-C568 WeakPolarHBondContact CA-O 3.34Å; L563-C568 HydrophobicContact CD2-CB 4.09Å; L563-L570 HydrophobicContact CD1-CD2 4.49Å; L563-L589 HydrophobicContact CD1-CB 3.86Å; L563-L589 HydrophobicContact CD1-CD1 3.97Å; L563-L589 HydrophobicContact CD1-CD2 4.28Å; L563-L589 HydrophobicContact CD1-CG 4.26Å | ||
| 564 | T | 79.7 | Confident | 89.2 | Confident | 65 Ų | 65 | 44.1 Ų | 44.1 | 40% | 0.399 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -137.9 | 158.9 | 177.5 | 64.9 | 0 | 0 | 0 | 0 | 111.1 | Q562 N566 K567 C568 | Q562-T564 PolarHBondContact O-N 3.03Å; T564-N566 PolarHBondContact O-N 3.03Å; T564-K567 PolarHBondContact O-N 2.77Å; T564-C568 PolarHBondContact O-N 3.46Å |
| 565 | Q | 71.3 | Confident | 89.1 | Confident | 69 Ų | 69 | 47.4 Ų | 47.4 | 32% | 0.322 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | 137.9 | 172.8 | -163 | -173.7 | -27.4 | 0 | 0 | 110.8 | K410 K567 D592 | K410-Q565 HydrophobicContact CG-CG 4.3Å; Q565-K567 PolarHBondContact O-N 3.31Å; Q565-K567 VanDerWaalsContact O-N 3.12Å; Q565-D592 HydrophobicContact CB-CB 4.39Å; Q565-D592 VanDerWaalsContact CB-OD2 3.32Å; Q565-D592 WeakPolarHBondContact CB-OD2 3.18Å; Q565-D592 WeakPolarHBondContact CG-OD2 3.33Å |
| 566 | N | 74.1 | Confident | 89.1 | Confident | 133 Ų | 133 | 43.6 Ų | 43.6 | 71% | 0.711 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 5.4 | -177.4 | -50.7 | -18.9 | 0 | 0 | 0 | 116.1 | T564 | T564-N566 PolarHBondContact O-N 3.03Š|
| 567 | K | 85.8 | Confident | 89.2 | Confident | 90 Ų | 90 | 39.3 Ų | 39.3 | 39% | 0.391 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -76.3 | 171.5 | -75.9 | -64.3 | -161 | 175.5 | 0 | 111.4 | Q562 T564 Q565 | Q562-K567 HydrophobicContact CB-CB 4.07Å; Q562-K567 HydrophobicContact CB-CG 4.3Å; Q562-K567 WeakPolarHBondContact O-CB 3.34Å; T564-K567 PolarHBondContact O-N 2.77Å; Q565-K567 PolarHBondContact O-N 3.31Å; Q565-K567 VanDerWaalsContact O-N 3.12Å |
| 568 | C | 91.7 | Very high | 89.1 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | trans | -136.3 | 111.6 | 176.2 | -178.3 | 0 | 0 | 0 | 0 | 109.7 | V531 K532 Q562 L563 T564 | V531-C568 WeakPolarHBondContact O-CB 3.08Å; K532-C568 CarbonylContact O-C 3.6Å; K532-C568 WeakPolarHBondContact O-CA 3.33Å; Q562-C568 WeakPolarHBondContact O-CB 3.49Å; Q562-C568 PolarHBondContact O-N 3.4Å; L563-C568 WeakPolarHBondContact CA-O 3.34Å; L563-C568 HydrophobicContact CD2-CB 4.09Å; T564-C568 PolarHBondContact O-N 3.46Å | ||
| 569 | Q | 93.4 | Very high | 89 | Confident | 9 Ų | 9 | 38.1 Ų | 38.1 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 131.9 | 178.3 | -174.6 | 178.1 | 24.8 | 0 | 0 | 110.3 | V406 G409 K410 K532 C533 I534 L571 | V406-Q569 PolarHBondContact O-NE2 2.68Å; G409-Q569 VanDerWaalsContact C-NE2 3.34Å; G409-Q569 WeakPolarHBondContact O-CG 3.46Å; K410-Q569 PolarHBondContact O-NE2 2.8Å; K532-Q569 PolarHBondContact O-N 2.96Å; C533-Q569 CarbonylContact C-O 3.58Å; C533-Q569 WeakPolarHBondContact CA-O 3.44Å; I534-Q569 PolarHBondContact N-O 3.27Å; Q569-L571 HydrophobicContact CG-CD2 3.89Å; Q569-L571 HydrophobicContact CG-CG 4.3Å |
| 570 | L | 96.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 128.3 | 171.7 | -174.1 | 58.4 | 0 | 0 | 0 | 110.2 | S411 V412 I534 L536 L563 V572 L589 M590 | S411-L570 WeakPolarHBondContact CA-O 3.34Å; S411-L570 VanDerWaalsContact CB-O 3.24Å; S411-L570 WeakPolarHBondContact CB-O 3.47Å; V412-L570 PolarHBondContact N-O 2.99Å; I534-L570 HydrophobicContact CB-CD1 4.1Å; I534-L570 HydrophobicContact CG2-CD1 4.15Å; L536-L570 HydrophobicContact CD1-CD1 4.26Å; L536-L570 HydrophobicContact CG-CD1 4.33Å; L563-L570 HydrophobicContact CD1-CD2 4.49Å; L570-V572 HydrophobicContact CD1-CG2 4.31Å; L570-V572 HydrophobicContact CD2-CG2 4.34Å; L570-V572 HydrophobicContact CG-CG2 3.94Å; L570-L589 HydrophobicContact CD2-CB 3.76Å; L570-L589 HydrophobicContact CD2-CD1 4.28Å; L570-M590 HydrophobicContact CB-CE 4.45Å; L570-M590 HydrophobicContact CB-CG 4.18Å; L570-M590 HydrophobicContact CD2-CG 3.74Å; L570-M590 HydrophobicContact CD2-SD 4.24Å; L570-M590 HydrophobicContact CG-CE 4.36Å; L570-M590 HydrophobicContact CG-CG 4.2Å; L570-M590 HydrophobicContact CG-SD 4.48Å; L570-M590 WeakPolarHBondContact O-CE 3.49Å |
| 571 | L | 97.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 125.1 | 178.9 | -53.5 | 171.6 | 0 | 0 | 0 | 108.3 | V406 V412 Y426 V430 C533 I534 A535 L536 Q569 | V406-L571 HydrophobicContact CG1-CD2 4.02Å; V406-L571 HydrophobicContact CG2-CD2 4.15Å; V412-L571 HydrophobicContact CG1-CD2 3.73Å; Y426-L571 HydrophobicContact CD1-CB 4.41Å; Y426-L571 HydrophobicContact CD2-CB 4.24Å; Y426-L571 HydrophobicContact CD2-CD1 3.67Å; Y426-L571 HydrophobicContact CE2-CB 4.44Å; Y426-L571 HydrophobicContact CE2-CD1 4.46Å; Y426-L571 HydrophobicContact CG-CB 4.22Å; Y426-L571 HydrophobicContact CG-CD1 3.86Å; Y426-L571 HydrophobicContact CG-CD2 4.48Å; Y426-L571 HydrophobicContact CG-CG 4.44Å; V430-L571 HydrophobicContact CG2-CD1 3.35Å; C533-L571 WeakPolarHBondContact SG-CD1 3.45Å; I534-L571 PolarHBondContact O-N 2.88Å; A535-L571 CarbonylContact C-O 3.53Å; A535-L571 WeakPolarHBondContact CA-O 3.47Å; A535-L571 HydrophobicContact CB-CB 4.2Å; A535-L571 HydrophobicContact CB-CD1 4.36Å; L536-L571 PolarHBondContact N-O 2.91Å; Q569-L571 HydrophobicContact CG-CD2 3.89Å; Q569-L571 HydrophobicContact CG-CG 4.3Å |
| 572 | V | 97.3 | Very high | 89 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 136.4 | -176.3 | -173.2 | 0 | 0 | 0 | 0 | 110 | V412 L413 V414 L536 L539 L570 I586 M590 | V412-V572 PolarHBondContact O-N 3.18Å; L413-V572 WeakPolarHBondContact CA-O 3.41Å; L413-V572 HydrophobicContact CD1-CB 3.72Å; L413-V572 HydrophobicContact CD1-CG1 3.59Å; V414-V572 PolarHBondContact N-O 3.03Å; L536-V572 HydrophobicContact CB-CG2 4.45Å; L536-V572 HydrophobicContact CD1-CG2 4.4Å; L539-V572 HydrophobicContact CB-CG1 4.1Å; L539-V572 HydrophobicContact CD2-CG1 3.77Å; L570-V572 HydrophobicContact CD1-CG2 4.31Å; L570-V572 HydrophobicContact CD2-CG2 4.34Å; L570-V572 HydrophobicContact CG-CG2 3.94Å; V572-I586 HydrophobicContact CG1-CG2 4.42Å; V572-I586 HydrophobicContact CG2-CG2 3.98Å; V572-M590 HydrophobicContact CB-CE 4.46Å; V572-M590 HydrophobicContact CG2-CE 3.98Å; V572-M590 HydrophobicContact CG2-SD 4.07Å |
| 573 | S | 96.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 139.5 | 177.1 | 143.3 | 0 | 0 | 0 | 0 | 109.8 | V414 K422 Y426 L536 D537 N538 L539 | V414-S573 CarbonylContact O-C 3.51Å; V414-S573 WeakPolarHBondContact O-CA 3.42Å; K422-S573 WeakPolarHBondContact CE-OG 3.42Å; Y426-S573 WeakPolarHBondContact OH-CB 3.42Å; L536-S573 PolarHBondContact O-N 3.03Å; D537-S573 WeakPolarHBondContact OD1-CB 3.37Å; D537-S573 PolarHBondContact OD1-OG 3.22Å; N538-S573 CarbonylContact C-O 3.53Å; N538-S573 WeakPolarHBondContact CA-O 3.46Å; N538-S573 PolarHBondContact N-O 2.89Å; N538-S573 PolarHBondContact N-OG 3Å; L539-S573 PolarHBondContact N-O 2.68Å |
| 574 | G | 94.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 161.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V414 G416 K422 N540 | V414-G574 PolarHBondContact O-N 2.95Å; G416-G574 PolarHBondContact N-O 2.73Å; G416-G574 VanDerWaalsContact N-O 3.13Å; G416-G574 VanDerWaalsContact O-O 3.13Å; K422-G574 WeakPolarHBondContact CD-O 3.33Å; K422-G574 WeakPolarHBondContact CE-O 3.42Å; K422-G574 PolarHBondContact NZ-O 3.48Å; N540-G574 WeakPolarHBondContact OD1-CA 3.41Å |
| 575 | R | 91.2 | Very high | 89.3 | Confident | 73 Ų | 73 | 33.1 Ų | 33.1 | 28% | 0.275 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -95.1 | -30.7 | 168.1 | -57.2 | -169.6 | -161.9 | -160.8 | 8.2 | 112.7 | G416 N540 D541 | G416-R575 WeakPolarHBondContact O-CA 3.25Å; N540-R575 PolarHBondContact OD1-N 2.76Å; D541-R575 IonicContact OD1-CZ 2.74Å; D541-R575 IonicContact OD1-NE 3.43Å; D541-R575 PolarHBondContact OD1-NE 2.7Å; D541-R575 IonicContact OD1-NH2 3.27Å; D541-R575 PolarHBondContact OD1-NH2 3.18Å; D541-R575 IonicContact OD2-CZ 2.88Å; D541-R575 IonicContact OD2-NE 3.85Å; D541-R575 PolarHBondContact OD2-NE 3.49Å; D541-R575 IonicContact OD2-NH2 3.78Å; D541-R575 PolarHBondContact OD2-NH2 3.4Å |
| 576 | I | 91.8 | Very high | 90.4 | Very high | 32 Ų | 32 | 29.9 Ų | 29.9 | 16% | 0.164 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -137.6 | 136.7 | -163.9 | -61.6 | 164.8 | 0 | 0 | 0 | 109.1 | N540 H578 E602 K762 H763 | N540-I576 PolarHBondContact ND2-O 3.04Å; N540-I576 PolarHBondContact OD1-N 2.8Å; N540-I576 VanDerWaalsContact OD1-N 3.07Å; N540-I576 PolarHBondContact OD1-O 3.2Å; I576-H578 VanDerWaalsContact C-N 3.34Å; I576-H578 PolarHBondContact O-N 3.28Å; I576-E602 VanDerWaalsContact CA-OE2 3.27Å; I576-E602 WeakPolarHBondContact CA-OE2 3.36Å; I576-K762 HydrophobicContact CD1-CB 4.38Å; I576-K762 HydrophobicContact CD1-CD 3.84Å; I576-K762 HydrophobicContact CD1-CG 4.19Å; I576-H763 WeakPolarHBondContact CG2-CE1 3.41Å |
| 577 | W | 92.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | trans | -78 | 79.4 | 170.5 | -173.6 | -94.9 | 0 | 0 | 0 | 111 | L413 V415 T579 M582 V583 L587 V595 F597 E602 Y606 H763 | L413-W577 HydrophobicContact CD2-CH2 4.15Å; L413-W577 HydrophobicContact CD2-CZ3 3.61Å; V415-W577 HydrophobicContact CG2-CE3 4.16Å; W577-T579 VanDerWaalsContact CD1-OG1 3.24Å; W577-T579 PolarHBondContact NE1-OG1 3.49Å; W577-T579 PolarHBondContact O-N 3.18Å; W577-M582 HydrophobicContact CD2-CB 4.34Å; W577-M582 HydrophobicContact CD2-CG 4.12Å; W577-M582 HydrophobicContact CE3-CB 4.31Å; W577-M582 HydrophobicContact CE3-CG 3.96Å; W577-M582 HydrophobicContact CH2-CB 3.76Å; W577-M582 HydrophobicContact CH2-CG 4.29Å; W577-M582 HydrophobicContact CZ2-CB 3.7Å; W577-M582 HydrophobicContact CZ2-CG 4.37Å; W577-M582 HydrophobicContact CZ3-CB 4.05Å; W577-M582 HydrophobicContact CZ3-CG 4.07Å; W577-V583 HydrophobicContact CZ2-CG2 4.42Å; W577-L587 HydrophobicContact CH2-CD1 3.7Å; W577-L587 HydrophobicContact CZ2-CD1 4.14Å; W577-V595 HydrophobicContact CH2-CG1 4.44Å; W577-V595 HydrophobicContact CZ3-CG1 3.88Å; W577-F597 HydrophobicContact CB-CE1 4.15Å; W577-F597 AromaticContact CD2-CE1 3.88Å; W577-F597 HydrophobicContact CD2-CE1 3.88Å; W577-F597 AromaticContact CD2-CZ 3.92Å; W577-F597 HydrophobicContact CD2-CZ 3.92Å; W577-F597 AromaticContact CE3-CE1 3.43Å; W577-F597 HydrophobicContact CE3-CE1 3.43Å; W577-F597 VanDerWaalsContact CE3-CE1 3.43Å; W577-F597 AromaticContact CE3-CZ 3.38Å; W577-F597 HydrophobicContact CE3-CZ 3.38Å; W577-F597 HydrophobicContact CG-CE1 4.16Å; W577-F597 HydrophobicContact CH2-CZ 4.31Å; W577-F597 HydrophobicContact CZ3-CE1 4.1Å; W577-F597 AromaticContact CZ3-CZ 3.59Å; W577-F597 HydrophobicContact CZ3-CZ 3.59Å; W577-E602 PolarHBondContact N-OE2 3.21Å; W577-Y606 HydrophobicContact CD2-CD2 4.35Å; W577-Y606 AromaticContact CE2-CD2 3.71Å; W577-Y606 AromaticContact CH2-CD2 3.78Å; W577-Y606 HydrophobicContact CH2-CD2 3.78Å; W577-Y606 HydrophobicContact CH2-CE2 4.11Å; W577-Y606 AromaticContact CZ2-CD2 3.42Å; W577-Y606 HydrophobicContact CZ2-CD2 3.42Å; W577-Y606 VanDerWaalsContact CZ2-CD2 3.42Å; W577-Y606 HydrophobicContact CZ2-CE2 4.02Å; W577-Y606 HydrophobicContact CZ2-CG 4.41Å; W577-Y606 HydrophobicContact CZ3-CD2 4.4Å; W577-H763 PolarHBondContact O-CE1 2.87Å; W577-H763 VanDerWaalsContact O-CE1 3.29Å; W577-H763 PolarHBondContact O-ND1 3.38Å | ||
| 578 | H | 88.6 | Confident | 91.3 | Very high | 19 Ų | 19 | 23.9 Ų | 23.9 | 9% | 0.088 | 12% | 0.122 | C | C | . | . | trans | -76.6 | 96.6 | 172.6 | -176.9 | -83 | 0 | 0 | 0 | 109.9 | I576 D580 L581 M582 R1022 | I576-H578 VanDerWaalsContact C-N 3.34Å; I576-H578 PolarHBondContact O-N 3.28Å; H578-D580 WeakPolarHBondContact NE2-CB 3.45Å; H578-D580 IonicContact NE2-OD2 2.8Å; H578-D580 PolarHBondContact NE2-OD2 2.54Å; H578-D580 PolarHBondContact O-N 3.28Å; H578-L581 HydrophobicContact CB-CB 4.25Å; H578-L581 HydrophobicContact CB-CD2 4.5Å; H578-L581 WeakPolarHBondContact CE1-CA 3.44Å; H578-L581 WeakPolarHBondContact CE1-CB 3.33Å; H578-L581 PolarHBondContact CE1-N 2.85Å; H578-L581 VanDerWaalsContact ND1-CB 3.27Å; H578-L581 WeakPolarHBondContact ND1-CB 3.43Å; H578-L581 PolarHBondContact ND1-N 3.12Å; H578-L581 WeakPolarHBondContact O-CB 3.44Å; H578-L581 PolarHBondContact O-N 3.28Å; H578-L581 VanDerWaalsContact O-N 3.09Å; H578-M582 PolarHBondContact O-N 3.3Å; H578-R1022 PolarHBondContact CD2-NH1 3.17Å; H578-R1022 PolarHBondContact NE2-NH2 2.69Å; H578-R1022 VanDerWaalsContact NE2-NH2 3.18Å | ||
| 579 | T | 87.2 | Confident | 91.2 | Very high | 22 Ų | 22 | 24.9 Ų | 24.9 | 14% | 0.135 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -52.5 | -52.2 | -164.4 | -54 | 0 | 0 | 0 | 0 | 114.5 | V342 W577 L581 M582 V583 | V342-T579 HydrophobicContact CB-CG2 3.81Å; V342-T579 HydrophobicContact CG1-CG2 4.04Å; V342-T579 HydrophobicContact CG2-CG2 4.22Å; W577-T579 VanDerWaalsContact CD1-OG1 3.24Å; W577-T579 PolarHBondContact NE1-OG1 3.49Å; W577-T579 PolarHBondContact O-N 3.18Å; T579-L581 VanDerWaalsContact C-N 3.28Å; T579-L581 PolarHBondContact O-N 3.08Å; T579-M582 PolarHBondContact O-N 3.04Å; T579-V583 HydrophobicContact CG2-CG2 3.9Å; T579-V583 VanDerWaalsContact O-CB 3.28Å; T579-V583 WeakPolarHBondContact O-CB 3.14Å; T579-V583 VanDerWaalsContact O-CG2 3.3Å; T579-V583 WeakPolarHBondContact O-CG2 3.3Å; T579-V583 PolarHBondContact O-N 3.01Å |
| 580 | D | 84.9 | Confident | 91.1 | Very high | 37 Ų | 37 | 24.6 Ų | 24.6 | 20% | 0.198 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.7 | -40 | -178.2 | -36.6 | -37.2 | 0 | 0 | 0 | 112.1 | H578 Q584 K764 | H578-D580 WeakPolarHBondContact NE2-CB 3.45Å; H578-D580 IonicContact NE2-OD2 2.8Å; H578-D580 PolarHBondContact NE2-OD2 2.54Å; H578-D580 PolarHBondContact O-N 3.28Å; D580-Q584 WeakPolarHBondContact O-CA 3.31Å; D580-Q584 WeakPolarHBondContact O-CB 3.43Å; D580-Q584 WeakPolarHBondContact O-CG 3.35Å; D580-Q584 PolarHBondContact O-N 3.02Å; D580-K764 WeakPolarHBondContact OD2-CE 3.29Å; D580-K764 IonicContact OD2-NZ 2.76Å; D580-K764 PolarHBondContact OD2-NZ 3.32Å |
| 581 | L | 88.9 | Confident | 90.5 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65 | -50 | -179.6 | 175.5 | 71.1 | 0 | 0 | 0 | 109.9 | L539 V543 M551 L554 H578 T579 H585 I586 | L539-L581 HydrophobicContact CD2-CD2 3.94Å; L539-L581 HydrophobicContact CD2-CG 4.35Å; L539-L581 HydrophobicContact CG-CD2 4.15Å; V543-L581 HydrophobicContact CG2-CD1 4.28Å; V543-L581 HydrophobicContact CG2-CD2 3.85Å; M551-L581 HydrophobicContact CE-CD1 4.26Å; M551-L581 HydrophobicContact SD-CD1 3.82Å; L554-L581 HydrophobicContact CD1-CD1 3.66Å; H578-L581 HydrophobicContact CB-CB 4.25Å; H578-L581 HydrophobicContact CB-CD2 4.5Å; H578-L581 WeakPolarHBondContact CE1-CA 3.44Å; H578-L581 WeakPolarHBondContact CE1-CB 3.33Å; H578-L581 PolarHBondContact CE1-N 2.85Å; H578-L581 VanDerWaalsContact ND1-CB 3.27Å; H578-L581 WeakPolarHBondContact ND1-CB 3.43Å; H578-L581 PolarHBondContact ND1-N 3.12Å; H578-L581 WeakPolarHBondContact O-CB 3.44Å; H578-L581 PolarHBondContact O-N 3.28Å; H578-L581 VanDerWaalsContact O-N 3.09Å; T579-L581 VanDerWaalsContact C-N 3.28Å; T579-L581 PolarHBondContact O-N 3.08Å; L581-H585 WeakPolarHBondContact O-CB 3.38Å; L581-H585 PolarHBondContact O-N 2.67Å; L581-I586 HydrophobicContact CG-CG1 4.41Å; L581-I586 PolarHBondContact O-N 3.2Å |
| 582 | M | 90.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -66.5 | -45.1 | -177.9 | -60.9 | -57 | 178.3 | 0 | 0 | 111.1 | L413 L539 W577 H578 T579 I586 L587 | L413-M582 HydrophobicContact CD1-CE 4.31Å; L413-M582 HydrophobicContact CD1-SD 3.99Å; L413-M582 HydrophobicContact CD2-SD 4.02Å; L539-M582 HydrophobicContact CD2-CE 4.42Å; W577-M582 HydrophobicContact CD2-CB 4.34Å; W577-M582 HydrophobicContact CD2-CG 4.12Å; W577-M582 HydrophobicContact CE3-CB 4.31Å; W577-M582 HydrophobicContact CE3-CG 3.96Å; W577-M582 HydrophobicContact CH2-CB 3.76Å; W577-M582 HydrophobicContact CH2-CG 4.29Å; W577-M582 HydrophobicContact CZ2-CB 3.7Å; W577-M582 HydrophobicContact CZ2-CG 4.37Å; W577-M582 HydrophobicContact CZ3-CB 4.05Å; W577-M582 HydrophobicContact CZ3-CG 4.07Å; H578-M582 PolarHBondContact O-N 3.3Å; T579-M582 PolarHBondContact O-N 3.04Å; M582-I586 PolarHBondContact O-N 2.85Å; M582-I586 HydrophobicContact SD-CB 4.42Å; M582-I586 HydrophobicContact SD-CG1 4.24Å; M582-I586 HydrophobicContact SD-CG2 4.5Å; M582-L587 HydrophobicContact CB-CD1 4.37Å; M582-L587 WeakPolarHBondContact O-CB 3.32Å; M582-L587 WeakPolarHBondContact O-CD1 3.28Å; M582-L587 WeakPolarHBondContact O-CG 3.39Å; M582-L587 PolarHBondContact O-N 3.42Å |
| 583 | V | 86.8 | Confident | 89.7 | Confident | 30 Ų | 30 | 27.8 Ų | 27.8 | 18% | 0.182 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -76.1 | -44.2 | -174.9 | 173.1 | 0 | 0 | 0 | 0 | 113.2 | P344 W577 T579 P588 | P344-V583 HydrophobicContact CB-CB 4.47Å; P344-V583 HydrophobicContact CB-CG1 3.81Å; P344-V583 HydrophobicContact CB-CG2 3.78Å; P344-V583 HydrophobicContact CG-CG2 3.75Å; W577-V583 HydrophobicContact CZ2-CG2 4.42Å; T579-V583 HydrophobicContact CG2-CG2 3.9Å; T579-V583 VanDerWaalsContact O-CB 3.28Å; T579-V583 WeakPolarHBondContact O-CB 3.14Å; T579-V583 VanDerWaalsContact O-CG2 3.3Å; T579-V583 WeakPolarHBondContact O-CG2 3.3Å; T579-V583 PolarHBondContact O-N 3.01Å; V583-P588 WeakPolarHBondContact O-CD 3.36Å; V583-P588 WeakPolarHBondContact O-CG 3.34Å |
| 584 | Q | 86.4 | Confident | 89.6 | Confident | 117 Ų | 117 | 27.8 Ų | 27.8 | 55% | 0.547 | 15% | 0.146 | S | C | . | . | I | π-helix | trans | -91.4 | -24.1 | -170.8 | -54.7 | 175.5 | 5.6 | 0 | 0 | 112.9 | D580 | D580-Q584 WeakPolarHBondContact O-CA 3.31Å; D580-Q584 WeakPolarHBondContact O-CB 3.43Å; D580-Q584 WeakPolarHBondContact O-CG 3.35Å; D580-Q584 PolarHBondContact O-N 3.02Å |
| 585 | H | 89 | Confident | 89.6 | Confident | 57 Ų | 57 | 27.9 Ų | 27.9 | 26% | 0.264 | 15% | 0.146 | S | C | . | . | I | π-helix | trans | -126.8 | -23 | -170.5 | -57.9 | -72.2 | 0 | 0 | 0 | 115.7 | M551 L554 L581 L589 | M551-H585 HydrophobicContact CE-CB 4.2Å; M551-H585 WeakPolarHBondContact CE-CD2 3.09Å; M551-H585 WeakPolarHBondContact CE-NE2 3.4Å; L554-H585 HydrophobicContact CD1-CB 4.23Å; L581-H585 WeakPolarHBondContact O-CB 3.38Å; L581-H585 PolarHBondContact O-N 2.67Å; H585-L589 VanDerWaalsContact O-CD1 3.3Å; H585-L589 WeakPolarHBondContact O-CD1 3.35Å |
| 586 | I | 92.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | I | π-helix | trans | -102.4 | -59.7 | -177.7 | -61.6 | -62 | 0 | 0 | 0 | 111.8 | L536 L539 L554 V572 L581 M582 P588 L589 M590 | L536-I586 HydrophobicContact CD1-CD1 4.5Å; L539-I586 HydrophobicContact CD2-CD1 3.53Å; L539-I586 HydrophobicContact CD2-CG1 3.72Å; L554-I586 HydrophobicContact CD1-CD1 3.77Å; L554-I586 HydrophobicContact CD2-CD1 3.52Å; L554-I586 HydrophobicContact CG-CD1 4.29Å; V572-I586 HydrophobicContact CG1-CG2 4.42Å; V572-I586 HydrophobicContact CG2-CG2 3.98Å; L581-I586 HydrophobicContact CG-CG1 4.41Å; L581-I586 PolarHBondContact O-N 3.2Å; M582-I586 PolarHBondContact O-N 2.85Å; M582-I586 HydrophobicContact SD-CB 4.42Å; M582-I586 HydrophobicContact SD-CG1 4.24Å; M582-I586 HydrophobicContact SD-CG2 4.5Å; I586-P588 VanDerWaalsContact C-CD 3.4Å; I586-L589 WeakPolarHBondContact O-CA 3.07Å; I586-L589 VanDerWaalsContact O-CB 3.29Å; I586-L589 WeakPolarHBondContact O-CB 3.36Å; I586-L589 PolarHBondContact O-N 3.01Å; I586-M590 HydrophobicContact CG2-SD 3.44Å; I586-M590 WeakPolarHBondContact CG2-SD 3.31Å; I586-M590 WeakPolarHBondContact O-CG 3.46Å |
| 587 | L | 90.5 | Very high | 90 | Very high | 12 Ų | 12 | 22.9 Ų | 22.9 | 6% | 0.063 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -63 | -29.6 | -174.6 | -64.1 | 162.2 | 0 | 0 | 0 | 115 | F345 L413 W577 M582 L589 M590 V593 V595 | F345-L587 HydrophobicContact CE2-CD1 3.66Å; F345-L587 HydrophobicContact CZ-CB 3.94Å; F345-L587 HydrophobicContact CZ-CD1 3.61Å; F345-L587 HydrophobicContact CZ-CG 4.22Å; L413-L587 HydrophobicContact CD2-CD2 3.89Å; L413-L587 HydrophobicContact CD2-CG 4.44Å; W577-L587 HydrophobicContact CH2-CD1 3.7Å; W577-L587 HydrophobicContact CZ2-CD1 4.14Å; M582-L587 HydrophobicContact CB-CD1 4.37Å; M582-L587 WeakPolarHBondContact O-CB 3.32Å; M582-L587 WeakPolarHBondContact O-CD1 3.28Å; M582-L587 WeakPolarHBondContact O-CG 3.39Å; M582-L587 PolarHBondContact O-N 3.42Å; L587-L589 PolarHBondContact O-N 2.94Å; L587-M590 PolarHBondContact O-N 3.24Å; L587-M590 VanDerWaalsContact O-N 3.07Å; L587-V593 HydrophobicContact CD2-CG1 4.13Å; L587-V593 HydrophobicContact CD2-CG2 4.45Å; L587-V595 HydrophobicContact CD2-CG2 4Å |
| 588 | P | 89.3 | Confident | 90 | Very high | 86 Ų | 86 | 25.1 Ų | 25.1 | 56% | 0.558 | 14% | 0.138 | S | C | * | . | G | 310 helix | trans | -60.7 | -22.6 | 170.2 | -25.5 | 37 | 0 | 0 | 0 | 113.7 | V583 I586 | V583-P588 WeakPolarHBondContact O-CD 3.36Å; V583-P588 WeakPolarHBondContact O-CG 3.34Å; I586-P588 VanDerWaalsContact C-CD 3.4Å |
| 589 | L | 89.6 | Confident | 90.3 | Very high | 22 Ų | 22 | 24.5 Ų | 24.5 | 12% | 0.115 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -90.8 | 4.6 | 177.3 | -47.8 | -177.8 | 0 | 0 | 0 | 113.1 | P558 L563 L570 H585 I586 L587 | P558-L589 HydrophobicContact CB-CD2 3.92Å; P558-L589 HydrophobicContact CG-CD2 3.93Å; L563-L589 HydrophobicContact CD1-CB 3.86Å; L563-L589 HydrophobicContact CD1-CD1 3.97Å; L563-L589 HydrophobicContact CD1-CD2 4.28Å; L563-L589 HydrophobicContact CD1-CG 4.26Å; L570-L589 HydrophobicContact CD2-CB 3.76Å; L570-L589 HydrophobicContact CD2-CD1 4.28Å; H585-L589 VanDerWaalsContact O-CD1 3.3Å; H585-L589 WeakPolarHBondContact O-CD1 3.35Å; I586-L589 WeakPolarHBondContact O-CA 3.07Å; I586-L589 VanDerWaalsContact O-CB 3.29Å; I586-L589 WeakPolarHBondContact O-CB 3.36Å; I586-L589 PolarHBondContact O-N 3.01Å; L587-L589 PolarHBondContact O-N 2.94Å |
| 590 | M | 90.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | trans | -134.9 | 67.2 | -170.7 | -52.7 | 176.8 | 84.8 | 0 | 0 | 110.9 | V412 L413 L570 V572 I586 L587 D592 V593 | V412-M590 VanDerWaalsContact O-CE 3.3Å; V412-M590 WeakPolarHBondContact O-CE 3.39Å; L413-M590 HydrophobicContact CB-CE 4.23Å; L570-M590 HydrophobicContact CB-CE 4.45Å; L570-M590 HydrophobicContact CB-CG 4.18Å; L570-M590 HydrophobicContact CD2-CG 3.74Å; L570-M590 HydrophobicContact CD2-SD 4.24Å; L570-M590 HydrophobicContact CG-CE 4.36Å; L570-M590 HydrophobicContact CG-CG 4.2Å; L570-M590 HydrophobicContact CG-SD 4.48Å; L570-M590 WeakPolarHBondContact O-CE 3.49Å; V572-M590 HydrophobicContact CB-CE 4.46Å; V572-M590 HydrophobicContact CG2-CE 3.98Å; V572-M590 HydrophobicContact CG2-SD 4.07Å; I586-M590 HydrophobicContact CG2-SD 3.44Å; I586-M590 WeakPolarHBondContact CG2-SD 3.31Å; I586-M590 WeakPolarHBondContact O-CG 3.46Å; L587-M590 PolarHBondContact O-N 3.24Å; L587-M590 VanDerWaalsContact O-N 3.07Å; M590-D592 PolarHBondContact O-N 3.46Å; M590-V593 HydrophobicContact CB-CB 3.82Å; M590-V593 HydrophobicContact CB-CG2 4.13Å; M590-V593 HydrophobicContact CE-CG2 3.84Å; M590-V593 WeakPolarHBondContact O-CB 3.18Å; M590-V593 WeakPolarHBondContact O-CG1 3.35Å; M590-V593 PolarHBondContact O-N 3.14Å; M590-V593 HydrophobicContact SD-CG2 4.24Å | ||
| 591 | P | 83.1 | Confident | 91 | Very high | 59 Ų | 59 | 22 Ų | 22 | 38% | 0.383 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -30.3 | -171.3 | 24.1 | -34.4 | 0 | 0 | 0 | 113.9 | R362 | R362-P591 VanDerWaalsContact CD-O 3.22Å; R362-P591 WeakPolarHBondContact CD-O 3.38Å; R362-P591 PolarHBondContact NE-O 3.4Å |
| 592 | D | 85.8 | Confident | 91.3 | Very high | 5 Ų | 5 | 22.3 Ų | 22.3 | 3% | 0.027 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 7 | -172.6 | 62.2 | -13.9 | 0 | 0 | 0 | 115 | H363 H405 K410 S411 Q565 M590 | H363-D592 PolarHBondContact ND1-O 3.06Å; H405-D592 PolarHBondContact NE2-O 2.77Å; K410-D592 WeakPolarHBondContact CA-OD2 3.3Å; K410-D592 WeakPolarHBondContact CB-OD2 3.22Å; S411-D592 WeakPolarHBondContact CB-OD1 3.35Å; S411-D592 PolarHBondContact N-OD1 3.27Å; S411-D592 VanDerWaalsContact N-OD1 3.17Å; S411-D592 PolarHBondContact N-OD2 2.84Å; S411-D592 PolarHBondContact OG-OD1 3.19Å; Q565-D592 HydrophobicContact CB-CB 4.39Å; Q565-D592 VanDerWaalsContact CB-OD2 3.32Å; Q565-D592 WeakPolarHBondContact CB-OD2 3.18Å; Q565-D592 WeakPolarHBondContact CG-OD2 3.33Å; M590-D592 PolarHBondContact O-N 3.46Å |
| 593 | V | 92.3 | Very high | 91.4 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 2% | 0.018 | 12% | 0.122 | C | C | . | . | P | Polyproline II helix | trans | -52.6 | 145 | -161.8 | 69.4 | 0 | 0 | 0 | 0 | 116.9 | W360 S361 S411 L413 L587 M590 V595 | W360-V593 HydrophobicContact CZ3-CG1 3.98Å; S361-V593 WeakPolarHBondContact CA-O 3.47Å; S361-V593 WeakPolarHBondContact CB-O 3.03Å; S361-V593 PolarHBondContact OG-O 3.46Å; S411-V593 WeakPolarHBondContact O-CA 3.44Å; L413-V593 HydrophobicContact CB-CG2 4.21Å; L587-V593 HydrophobicContact CD2-CG1 4.13Å; L587-V593 HydrophobicContact CD2-CG2 4.45Å; M590-V593 HydrophobicContact CB-CB 3.82Å; M590-V593 HydrophobicContact CB-CG2 4.13Å; M590-V593 HydrophobicContact CE-CG2 3.84Å; M590-V593 WeakPolarHBondContact O-CB 3.18Å; M590-V593 WeakPolarHBondContact O-CG1 3.35Å; M590-V593 PolarHBondContact O-N 3.14Å; M590-V593 HydrophobicContact SD-CG2 4.24Å; V593-V595 HydrophobicContact CG1-CG2 4.09Å; V593-V595 HydrophobicContact CG2-CG2 3.99Å |
| 594 | L | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 116.9 | 153.5 | 171.4 | 67.6 | 0 | 0 | 0 | 109.5 | W360 V365 F401 H405 S411 V412 L413 L596 | W360-L594 WeakPolarHBondContact O-CA 3.42Å; V365-L594 HydrophobicContact CG1-CD2 4.47Å; V365-L594 HydrophobicContact CG2-CD1 4.32Å; V365-L594 HydrophobicContact CG2-CD2 4.39Å; F401-L594 HydrophobicContact CB-CD2 4.02Å; F401-L594 WeakPolarHBondContact O-CD2 3.35Å; H405-L594 HydrophobicContact CB-CB 4.48Å; H405-L594 HydrophobicContact CB-CD2 3.67Å; H405-L594 VanDerWaalsContact CD2-CB 3.44Å; H405-L594 WeakPolarHBondContact CD2-CB 3.4Å; S411-L594 PolarHBondContact O-N 3.17Å; V412-L594 WeakPolarHBondContact CA-O 3.34Å; V412-L594 HydrophobicContact CG2-CB 4.26Å; V412-L594 HydrophobicContact CG2-CD2 4.29Å; V412-L594 HydrophobicContact CG2-CG 4.34Å; V412-L594 WeakPolarHBondContact CG2-O 3.31Å; L413-L594 PolarHBondContact N-O 3.44Å; L594-L596 HydrophobicContact CD1-CD2 3.76Å; L594-L596 HydrophobicContact CD1-CG 4.34Å; L594-L596 HydrophobicContact CD2-CD1 4.11Å; L594-L596 HydrophobicContact CD2-CD2 4.07Å; L594-L596 HydrophobicContact CD2-CG 4.13Å; L594-L596 HydrophobicContact CG-CD1 4.43Å; L594-L596 HydrophobicContact CG-CD2 3.88Å; L594-L596 HydrophobicContact CG-CG 3.93Å |
| 595 | V | 95.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.012 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 131.7 | 171.3 | -172 | 0 | 0 | 0 | 0 | 108.5 | G359 W360 L413 W577 L587 V593 F597 | G359-V595 CarbonylContact C-O 3.56Å; G359-V595 VanDerWaalsContact CA-O 3.29Å; G359-V595 WeakPolarHBondContact CA-O 3.44Å; W360-V595 HydrophobicContact CE3-CG2 4.19Å; W360-V595 PolarHBondContact N-O 3.37Å; W360-V595 PolarHBondContact O-N 3.27Å; L413-V595 HydrophobicContact CB-CG2 4.42Å; L413-V595 HydrophobicContact CD2-CG1 4.23Å; L413-V595 HydrophobicContact CD2-CG2 4.42Å; L413-V595 HydrophobicContact CG-CG1 4.31Å; L413-V595 CarbonylContact O-C 3.49Å; L413-V595 WeakPolarHBondContact O-CA 3.13Å; W577-V595 HydrophobicContact CH2-CG1 4.44Å; W577-V595 HydrophobicContact CZ3-CG1 3.88Å; L587-V595 HydrophobicContact CD2-CG2 4Å; V593-V595 HydrophobicContact CG1-CG2 4.09Å; V593-V595 HydrophobicContact CG2-CG2 3.99Å; V595-F597 HydrophobicContact CG1-CD2 4.23Å; V595-F597 HydrophobicContact CG1-CE2 3.48Å; V595-F597 VanDerWaalsContact CG1-CE2 3.48Å; V595-F597 HydrophobicContact CG1-CZ 3.83Å |
| 596 | L | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 131.2 | 179.3 | -62.6 | 178.1 | 0 | 0 | 0 | 111 | V357 V398 F401 A402 L413 V414 V415 L594 | V357-L596 HydrophobicContact CG1-CB 4.34Å; V357-L596 HydrophobicContact CG1-CD2 3.99Å; V398-L596 HydrophobicContact CB-CD1 4.11Å; V398-L596 HydrophobicContact CG1-CB 4.3Å; V398-L596 VanDerWaalsContact O-CD1 3.31Å; V398-L596 WeakPolarHBondContact O-CD1 3.15Å; F401-L596 HydrophobicContact CB-CD1 4.07Å; F401-L596 HydrophobicContact CB-CD2 3.79Å; F401-L596 HydrophobicContact CD2-CD2 4.34Å; F401-L596 HydrophobicContact CG-CD2 4.19Å; A402-L596 HydrophobicContact CB-CD1 3.92Å; L413-L596 PolarHBondContact O-N 3.07Å; V414-L596 HydrophobicContact CG1-CB 4.39Å; V414-L596 HydrophobicContact CG2-CD1 4.34Å; V415-L596 PolarHBondContact N-O 3.4Å; L594-L596 HydrophobicContact CD1-CD2 3.76Å; L594-L596 HydrophobicContact CD1-CG 4.34Å; L594-L596 HydrophobicContact CD2-CD1 4.11Å; L594-L596 HydrophobicContact CD2-CD2 4.07Å; L594-L596 HydrophobicContact CD2-CG 4.13Å; L594-L596 HydrophobicContact CG-CD1 4.43Å; L594-L596 HydrophobicContact CG-CD2 3.88Å; L594-L596 HydrophobicContact CG-CG 3.93Å |
| 597 | F | 95.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 0% | 0.004 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 116.8 | 171.3 | -57.9 | -96.2 | 0 | 0 | 0 | 110 | V357 L358 V415 W577 V595 E602 A603 Y606 | V357-F597 VanDerWaalsContact CA-O 3.32Å; V357-F597 WeakPolarHBondContact CA-O 3.46Å; L358-F597 HydrophobicContact CB-CB 4.33Å; L358-F597 HydrophobicContact CD2-CD2 4.14Å; L358-F597 PolarHBondContact N-O 3.11Å; L358-F597 PolarHBondContact O-N 3.42Å; V415-F597 HydrophobicContact CB-CD1 4.03Å; V415-F597 HydrophobicContact CB-CE1 4.27Å; V415-F597 HydrophobicContact CG1-CD1 4.21Å; V415-F597 HydrophobicContact CG1-CE1 4.42Å; V415-F597 WeakPolarHBondContact O-CA 3.19Å; W577-F597 HydrophobicContact CB-CE1 4.15Å; W577-F597 AromaticContact CD2-CE1 3.88Å; W577-F597 HydrophobicContact CD2-CE1 3.88Å; W577-F597 AromaticContact CD2-CZ 3.92Å; W577-F597 HydrophobicContact CD2-CZ 3.92Å; W577-F597 AromaticContact CE3-CE1 3.43Å; W577-F597 HydrophobicContact CE3-CE1 3.43Å; W577-F597 VanDerWaalsContact CE3-CE1 3.43Å; W577-F597 AromaticContact CE3-CZ 3.38Å; W577-F597 HydrophobicContact CE3-CZ 3.38Å; W577-F597 HydrophobicContact CG-CE1 4.16Å; W577-F597 HydrophobicContact CH2-CZ 4.31Å; W577-F597 HydrophobicContact CZ3-CE1 4.1Å; W577-F597 AromaticContact CZ3-CZ 3.59Å; W577-F597 HydrophobicContact CZ3-CZ 3.59Å; V595-F597 HydrophobicContact CG1-CD2 4.23Å; V595-F597 HydrophobicContact CG1-CE2 3.48Å; V595-F597 VanDerWaalsContact CG1-CE2 3.48Å; V595-F597 HydrophobicContact CG1-CZ 3.83Å; F597-E602 HydrophobicContact CD1-CB 4.33Å; F597-A603 HydrophobicContact CB-CB 3.72Å; F597-A603 HydrophobicContact CD1-CB 4.1Å; F597-A603 HydrophobicContact CD2-CB 4.34Å; F597-A603 HydrophobicContact CG-CB 3.82Å; F597-Y606 HydrophobicContact CD2-CD1 4.48Å; F597-Y606 HydrophobicContact CE1-CG 4.27Å; F597-Y606 AromaticContact CE2-CD1 3.55Å; F597-Y606 HydrophobicContact CE2-CD1 3.55Å; F597-Y606 HydrophobicContact CE2-CD2 4.39Å; F597-Y606 HydrophobicContact CE2-CE1 4.01Å; F597-Y606 AromaticContact CE2-CG 3.76Å; F597-Y606 HydrophobicContact CE2-CG 3.76Å; F597-Y606 AromaticContact CZ-CD1 3.7Å; F597-Y606 HydrophobicContact CZ-CD1 3.7Å; F597-Y606 AromaticContact CZ-CD2 3.92Å; F597-Y606 HydrophobicContact CZ-CD2 3.92Å; F597-Y606 HydrophobicContact CZ-CE1 4.45Å; F597-Y606 AromaticContact CZ-CG 3.37Å; F597-Y606 HydrophobicContact CZ-CG 3.37Å |
| 598 | D | 92.8 | Very high | 91 | Very high | 48 Ų | 48 | 14.4 Ų | 14.4 | 26% | 0.257 | 9% | 0.085 | S | C | . | . | S | Bend | trans | -85.3 | -21.5 | 166.9 | -166.3 | 87.4 | 0 | 0 | 0 | 111.4 | V357 V398 V415 I420 | V357-D598 HydrophobicContact CG2-CB 4.42Å; V398-D598 HydrophobicContact CG1-CB 3.81Å; V415-D598 PolarHBondContact O-N 3.06Å; I420-D598 HydrophobicContact CD1-CB 3.44Å; I420-D598 VanDerWaalsContact CD1-CB 3.44Å; I420-D598 VanDerWaalsContact CG2-OD2 3.28Å; I420-D598 WeakPolarHBondContact CG2-OD2 3.38Å |
| 599 | D | 93.6 | Very high | 91 | Very high | 5 Ų | 5 | 10.4 Ų | 10.4 | 3% | 0.027 | 6% | 0.059 | C | C | . | . | trans | -103 | 114.1 | 178.9 | -162.7 | -56.4 | 0 | 0 | 0 | 111.4 | N417 L601 E602 A603 K720 | N417-D599 PolarHBondContact ND2-OD2 2.83Å; N417-D599 PolarHBondContact OD1-OD2 2.94Å; D599-L601 VanDerWaalsContact C-N 3.31Å; D599-L601 PolarHBondContact O-N 3.29Å; D599-L601 WeakPolarHBondContact OD1-CB 3.41Å; D599-L601 PolarHBondContact OD1-N 2.92Å; D599-E602 HydrophobicContact CB-CB 4.06Å; D599-E602 HydrophobicContact CB-CG 3.86Å; D599-E602 PolarHBondContact O-N 2.72Å; D599-E602 PolarHBondContact OD1-N 3.1Å; D599-A603 WeakPolarHBondContact O-CB 3.49Å; D599-A603 PolarHBondContact O-N 3.37Å; D599-K720 WeakPolarHBondContact OD2-CE 3.25Å; D599-K720 IonicContact OD2-NZ 2.75Å; D599-K720 PolarHBondContact OD2-NZ 3.13Å | ||
| 600 | A | 93.5 | Very high | 91 | Very high | 4 Ų | 4 | 11.9 Ų | 11.9 | 3% | 0.033 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -72.2 | -21.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S604 F723 Y727 | A600-S604 PolarHBondContact O-N 2.69Å; A600-S604 VanDerWaalsContact O-N 3.15Å; A600-S604 PolarHBondContact O-OG 3.3Å; A600-F723 HydrophobicContact CB-CB 4.08Å; A600-F723 WeakPolarHBondContact O-CB 3.48Å; A600-Y727 HydrophobicContact CB-CE1 3.68Å; A600-Y727 WeakPolarHBondContact CB-OH 3.46Å |
| 601 | L | 94.6 | Very high | 91 | Very high | 4 Ų | 4 | 12 Ų | 12 | 2% | 0.021 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -74.6 | -44 | 173.3 | 176 | 58.9 | 0 | 0 | 0 | 110 | D599 A603 S604 V605 W716 K720 F723 F759 | D599-L601 VanDerWaalsContact C-N 3.31Å; D599-L601 PolarHBondContact O-N 3.29Å; D599-L601 WeakPolarHBondContact OD1-CB 3.41Å; D599-L601 PolarHBondContact OD1-N 2.92Å; L601-A603 VanDerWaalsContact C-N 3.3Å; L601-A603 PolarHBondContact O-N 2.89Å; L601-S604 WeakPolarHBondContact O-CA 3.22Å; L601-S604 WeakPolarHBondContact O-CB 3.43Å; L601-S604 PolarHBondContact O-N 3.45Å; L601-V605 PolarHBondContact O-N 2.8Å; L601-V605 VanDerWaalsContact O-N 3.1Å; L601-W716 HydrophobicContact CD2-CH2 4.38Å; L601-W716 HydrophobicContact CD2-CZ2 4.15Å; L601-K720 HydrophobicContact CB-CB 4.04Å; L601-K720 HydrophobicContact CB-CD 4.11Å; L601-K720 HydrophobicContact CB-CG 3.89Å; L601-K720 HydrophobicContact CD2-CD 3.94Å; L601-K720 HydrophobicContact CD2-CG 3.77Å; L601-K720 HydrophobicContact CG-CG 4.49Å; L601-F723 HydrophobicContact CB-CD2 4.19Å; L601-F723 HydrophobicContact CB-CG 4.35Å; L601-F723 HydrophobicContact CD1-CD1 3.9Å; L601-F723 HydrophobicContact CD1-CD2 3.97Å; L601-F723 HydrophobicContact CD1-CE1 3.7Å; L601-F723 HydrophobicContact CD1-CE2 3.78Å; L601-F723 HydrophobicContact CD1-CG 4.04Å; L601-F723 HydrophobicContact CD1-CZ 3.65Å; L601-F759 HydrophobicContact CD1-CE1 4.12Å; L601-F759 HydrophobicContact CD1-CE2 4.05Å; L601-F759 HydrophobicContact CD1-CZ 3.57Å; L601-F759 HydrophobicContact CD2-CD2 3.7Å; L601-F759 HydrophobicContact CD2-CE1 4.3Å; L601-F759 HydrophobicContact CD2-CE2 3.44Å; L601-F759 VanDerWaalsContact CD2-CE2 3.44Å; L601-F759 HydrophobicContact CD2-CG 4.23Å; L601-F759 HydrophobicContact CD2-CZ 3.76Å; L601-F759 HydrophobicContact CG-CD2 4.2Å; L601-F759 HydrophobicContact CG-CE1 4.34Å; L601-F759 HydrophobicContact CG-CE2 3.41Å; L601-F759 VanDerWaalsContact CG-CE2 3.41Å; L601-F759 HydrophobicContact CG-CZ 3.5Å; L601-F759 VanDerWaalsContact CG-CZ 3.5Å |
| 602 | E | 94.1 | Very high | 91.4 | Very high | 11 Ų | 11 | 10.2 Ų | 10.2 | 5% | 0.051 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62.5 | -36.9 | 173.1 | -60.7 | -63.8 | 142.6 | 0 | 0 | 112 | V415 I576 W577 F597 D599 S604 V605 Y606 H763 | V415-E602 HydrophobicContact CG1-CB 4.22Å; I576-E602 VanDerWaalsContact CA-OE2 3.27Å; I576-E602 WeakPolarHBondContact CA-OE2 3.36Å; W577-E602 PolarHBondContact N-OE2 3.21Å; F597-E602 HydrophobicContact CD1-CB 4.33Å; D599-E602 HydrophobicContact CB-CB 4.06Å; D599-E602 HydrophobicContact CB-CG 3.86Å; D599-E602 PolarHBondContact O-N 2.72Å; D599-E602 PolarHBondContact OD1-N 3.1Å; E602-S604 PolarHBondContact O-N 2.76Å; E602-V605 WeakPolarHBondContact O-CB 3.41Å; E602-V605 PolarHBondContact O-N 2.98Å; E602-Y606 PolarHBondContact O-N 3.16Å; E602-Y606 VanDerWaalsContact O-N 3.12Å; E602-H763 IonicContact OE1-CE1 2.68Å; E602-H763 IonicContact OE1-NE2 3.76Å; E602-H763 PolarHBondContact OE1-NE2 3.3Å; E602-H763 IonicContact OE2-CE1 3.34Å; E602-H763 PolarHBondContact OE2-CE1 3.3Å; E602-H763 IonicContact OE2-NE2 2.67Å; E602-H763 PolarHBondContact OE2-NE2 2.64Å; E602-H763 VanDerWaalsContact OE2-NE2 3.08Å |
| 603 | A | 92.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -63 | -29.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L358 F597 D599 L601 G607 Y727 | L358-A603 HydrophobicContact CB-CB 4.42Å; L358-A603 HydrophobicContact CD2-CB 3.89Å; F597-A603 HydrophobicContact CB-CB 3.72Å; F597-A603 HydrophobicContact CD1-CB 4.1Å; F597-A603 HydrophobicContact CD2-CB 4.34Å; F597-A603 HydrophobicContact CG-CB 3.82Å; D599-A603 WeakPolarHBondContact O-CB 3.49Å; D599-A603 PolarHBondContact O-N 3.37Å; L601-A603 VanDerWaalsContact C-N 3.3Å; L601-A603 PolarHBondContact O-N 2.89Å; A603-G607 PolarHBondContact O-N 3.17Å; A603-Y727 HydrophobicContact CB-CE1 3.92Å |
| 604 | S | 91.3 | Very high | 91.7 | Very high | 3 Ų | 3 | 13.2 Ų | 13.2 | 2% | 0.021 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -79.2 | -30.2 | 178.3 | -62.7 | 0 | 0 | 0 | 0 | 112.4 | A600 L601 E602 G607 G608 V609 | A600-S604 PolarHBondContact O-N 2.69Å; A600-S604 VanDerWaalsContact O-N 3.15Å; A600-S604 PolarHBondContact O-OG 3.3Å; L601-S604 WeakPolarHBondContact O-CA 3.22Å; L601-S604 WeakPolarHBondContact O-CB 3.43Å; L601-S604 PolarHBondContact O-N 3.45Å; E602-S604 PolarHBondContact O-N 2.76Å; S604-G607 PolarHBondContact O-N 3.34Å; S604-G608 PolarHBondContact O-N 3.48Å; S604-G608 VanDerWaalsContact O-N 3.09Å; S604-V609 PolarHBondContact O-N 2.63Å |
| 605 | V | 90.3 | Very high | 91.6 | Very high | 5 Ų | 5 | 14.6 Ų | 14.6 | 3% | 0.03 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.6 | -50.9 | 166.4 | 178 | 0 | 0 | 0 | 0 | 110.3 | L340 L601 E602 G607 G608 F759 | L340-V605 HydrophobicContact CD2-CB 4.13Å; L340-V605 HydrophobicContact CD2-CG1 3.75Å; L340-V605 HydrophobicContact CD2-CG2 3.95Å; L601-V605 PolarHBondContact O-N 2.8Å; L601-V605 VanDerWaalsContact O-N 3.1Å; E602-V605 WeakPolarHBondContact O-CB 3.41Å; E602-V605 PolarHBondContact O-N 2.98Å; V605-G607 PolarHBondContact O-N 2.91Å; V605-G608 PolarHBondContact O-N 2.91Å; V605-F759 HydrophobicContact CG2-CE1 4.46Å; V605-F759 HydrophobicContact CG2-CE2 4.11Å; V605-F759 HydrophobicContact CG2-CZ 3.5Å |
| 606 | Y | 88.4 | Confident | 91.4 | Very high | 35 Ų | 35 | 14.6 Ų | 14.6 | 14% | 0.137 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -54.1 | -37 | 173.4 | 166.3 | -110.5 | 0 | 0 | 0 | 112.5 | W577 F597 E602 | W577-Y606 HydrophobicContact CD2-CD2 4.35Å; W577-Y606 AromaticContact CE2-CD2 3.71Å; W577-Y606 AromaticContact CH2-CD2 3.78Å; W577-Y606 HydrophobicContact CH2-CD2 3.78Å; W577-Y606 HydrophobicContact CH2-CE2 4.11Å; W577-Y606 AromaticContact CZ2-CD2 3.42Å; W577-Y606 HydrophobicContact CZ2-CD2 3.42Å; W577-Y606 VanDerWaalsContact CZ2-CD2 3.42Å; W577-Y606 HydrophobicContact CZ2-CE2 4.02Å; W577-Y606 HydrophobicContact CZ2-CG 4.41Å; W577-Y606 HydrophobicContact CZ3-CD2 4.4Å; F597-Y606 HydrophobicContact CD2-CD1 4.48Å; F597-Y606 HydrophobicContact CE1-CG 4.27Å; F597-Y606 AromaticContact CE2-CD1 3.55Å; F597-Y606 HydrophobicContact CE2-CD1 3.55Å; F597-Y606 HydrophobicContact CE2-CD2 4.39Å; F597-Y606 HydrophobicContact CE2-CE1 4.01Å; F597-Y606 AromaticContact CE2-CG 3.76Å; F597-Y606 HydrophobicContact CE2-CG 3.76Å; F597-Y606 AromaticContact CZ-CD1 3.7Å; F597-Y606 HydrophobicContact CZ-CD1 3.7Å; F597-Y606 AromaticContact CZ-CD2 3.92Å; F597-Y606 HydrophobicContact CZ-CD2 3.92Å; F597-Y606 HydrophobicContact CZ-CE1 4.45Å; F597-Y606 AromaticContact CZ-CG 3.37Å; F597-Y606 HydrophobicContact CZ-CG 3.37Å; E602-Y606 PolarHBondContact O-N 3.16Å; E602-Y606 VanDerWaalsContact O-N 3.12Å |
| 607 | G | 83.4 | Confident | 90.9 | Very high | 5 Ų | 5 | 16.7 Ų | 16.7 | 5% | 0.052 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -71.8 | -21.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | A603 S604 V605 V738 | A603-G607 PolarHBondContact O-N 3.17Å; S604-G607 PolarHBondContact O-N 3.34Å; V605-G607 PolarHBondContact O-N 2.91Å; G607-V738 WeakPolarHBondContact O-CB 3.4Å; G607-V738 WeakPolarHBondContact O-CG2 3.39Å |
| 608 | G | 85.3 | Confident | 90.5 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 40.4 | -167 | 0 | 0 | 0 | 0 | 0 | 113 | L340 S604 V605 | L340-G608 WeakPolarHBondContact O-CA 3.35Å; S604-G608 PolarHBondContact O-N 3.48Å; S604-G608 VanDerWaalsContact O-N 3.09Å; V605-G608 PolarHBondContact O-N 2.91Å |
| 609 | V | 88.1 | Confident | 90.2 | Very high | 3 Ų | 3 | 22.8 Ų | 22.8 | 2% | 0.018 | 12% | 0.122 | C | C | . | . | trans | -72.6 | 128.9 | 164.5 | 174.9 | 0 | 0 | 0 | 0 | 107.9 | L340 S604 F726 G739 | L340-V609 VanDerWaalsContact CB-O 3.31Å; L340-V609 WeakPolarHBondContact CB-O 3.49Å; L340-V609 WeakPolarHBondContact CD1-O 3.43Å; S604-V609 PolarHBondContact O-N 2.63Å; V609-F726 HydrophobicContact CG1-CD2 4.01Å; V609-F726 HydrophobicContact CG1-CE1 4.18Å; V609-F726 HydrophobicContact CG1-CE2 3.63Å; V609-F726 HydrophobicContact CG1-CG 4.44Å; V609-F726 HydrophobicContact CG1-CZ 3.71Å; V609-F726 HydrophobicContact CG2-CB 4.29Å; V609-F726 HydrophobicContact CG2-CD1 4.31Å; V609-F726 HydrophobicContact CG2-CD2 4.17Å; V609-F726 HydrophobicContact CG2-CG 4.02Å; V609-G739 CarbonylContact C-O 3.24Å; V609-G739 WeakPolarHBondContact CA-O 3.45Å | ||
| 610 | Q | 89.3 | Confident | 89.9 | Confident | 53 Ų | 53 | 27 Ų | 27 | 25% | 0.248 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 147.3 | 178.2 | -67.8 | 178 | -12.1 | 0 | 0 | 111.5 | P737 G739 Q740 S741 | Q610-P737 HydrophobicContact CG-CB 4.16Å; Q610-G739 PolarHBondContact N-O 3.42Å; Q610-Q740 HydrophobicContact CB-CG 4.35Å; Q610-S741 PolarHBondContact O-N 2.65Å |
| 611 | L | 91.4 | Very high | 89.7 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 122.8 | 176.8 | -175.3 | 58.8 | 0 | 0 | 0 | 110.7 | A338 L340 V613 F723 V743 F759 Y760 | A338-L611 PolarHBondContact N-O 3.06Å; L340-L611 HydrophobicContact CD1-CB 4.08Å; L611-V613 HydrophobicContact CG-CG2 4.37Å; L611-F723 HydrophobicContact CD1-CZ 4.28Å; L611-V743 HydrophobicContact CD1-CG2 3.99Å; L611-F759 HydrophobicContact CD2-CD1 4.32Å; L611-F759 HydrophobicContact CD2-CE1 3.94Å; L611-Y760 HydrophobicContact CD2-CD2 4.46Å; L611-Y760 HydrophobicContact CD2-CE2 3.59Å; L611-Y760 HydrophobicContact CG-CE2 4.17Å; L611-Y760 PolarHBondContact O-OH 2.91Å |
| 612 | D | 91.1 | Very high | 89.4 | Confident | 23 Ų | 23 | 30.7 Ų | 30.7 | 12% | 0.123 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 135.8 | 175.7 | 177.2 | 13.2 | 0 | 0 | 0 | 108.5 | R614 S741 V742 V743 | D612-R614 IonicContact OD1-NE 3.21Å; D612-R614 IonicContact OD2-CZ 3.06Å; D612-R614 IonicContact OD2-NE 2.61Å; D612-R614 PolarHBondContact OD2-NE 2.98Å; D612-R614 IonicContact OD2-NH2 2.91Å; D612-R614 PolarHBondContact OD2-NH2 3.35Å; D612-S741 PolarHBondContact N-O 3.42Å; D612-V742 HydrophobicContact CB-CG1 4.43Å; D612-V742 HydrophobicContact CB-CG2 4.13Å; D612-V742 CarbonylContact O-C 3.59Å; D612-V742 WeakPolarHBondContact O-CA 3.39Å; D612-V743 PolarHBondContact O-N 3.31Å |
| 613 | V | 93.1 | Very high | 89.2 | Confident | 24 Ų | 24 | 31.1 Ų | 31.1 | 15% | 0.145 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 108.1 | -179.1 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | L611 V743 A745 L756 Y760 L771 | L611-V613 HydrophobicContact CG-CG2 4.37Å; V613-V743 HydrophobicContact CG1-CB 4.46Å; V613-V743 HydrophobicContact CG2-CB 4.27Å; V613-V743 HydrophobicContact CG2-CG2 4.48Å; V613-A745 HydrophobicContact CG1-CB 4.34Å; V613-L756 HydrophobicContact CG1-CD1 4.11Å; V613-L756 HydrophobicContact CG2-CD1 4.17Å; V613-Y760 HydrophobicContact CG2-CE2 4.25Å; V613-L771 HydrophobicContact CB-CD1 4.4Å; V613-L771 HydrophobicContact CG1-CD1 4.02Å; V613-L771 HydrophobicContact CG1-CD2 4.22Å |
| 614 | R | 92.7 | Very high | 89 | Confident | 47 Ų | 47 | 36 Ų | 36 | 18% | 0.177 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 119.5 | 179.7 | -55.4 | -174.1 | -171.8 | -166.6 | -4.1 | 108.2 | D612 V616 V742 V743 F744 A745 | D612-R614 IonicContact OD1-NE 3.21Å; D612-R614 IonicContact OD2-CZ 3.06Å; D612-R614 IonicContact OD2-NE 2.61Å; D612-R614 PolarHBondContact OD2-NE 2.98Å; D612-R614 IonicContact OD2-NH2 2.91Å; D612-R614 PolarHBondContact OD2-NH2 3.35Å; R614-V616 HydrophobicContact CB-CG2 4.07Å; R614-V742 HydrophobicContact CG-CG1 4.37Å; R614-V743 PolarHBondContact N-O 3.09Å; R614-F744 HydrophobicContact CB-CD1 4.25Å; R614-F744 WeakPolarHBondContact O-CA 3.35Å; R614-A745 PolarHBondContact O-N 2.89Å |
| 615 | V | 92.3 | Very high | 88.8 | Confident | 29 Ų | 29 | 38.6 Ų | 38.6 | 18% | 0.176 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 124.9 | 170.8 | -178.6 | 0 | 0 | 0 | 0 | 107.7 | A745 P747 L771 I774 | V615-A745 CarbonylContact C-O 3.58Å; V615-A745 VanDerWaalsContact CA-O 3.26Å; V615-A745 WeakPolarHBondContact CA-O 3.45Å; V615-P747 HydrophobicContact CG1-CG 3.78Å; V615-L771 HydrophobicContact CG2-CD2 3.36Å; V615-I774 HydrophobicContact CB-CD1 4.32Å; V615-I774 HydrophobicContact CG1-CD1 3.75Å; V615-I774 HydrophobicContact CG2-CD1 3.74Å |
| 616 | V | 91.5 | Very high | 88.7 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | trans | -143.3 | 121.5 | -172.1 | -170.6 | 0 | 0 | 0 | 0 | 107.4 | R614 E621 K622 A745 K746 | R614-V616 HydrophobicContact CB-CG2 4.07Å; V616-E621 WeakPolarHBondContact CA-OE2 3.31Å; V616-E621 HydrophobicContact CG1-CB 3.65Å; V616-E621 HydrophobicContact CG1-CG 3.67Å; V616-E621 VanDerWaalsContact CG1-OE2 3.23Å; V616-E621 WeakPolarHBondContact CG1-OE2 3.46Å; V616-K622 HydrophobicContact CB-CG 3.97Å; V616-K622 HydrophobicContact CG1-CB 4.17Å; V616-K622 HydrophobicContact CG1-CG 3.5Å; V616-K622 VanDerWaalsContact CG1-N 3.33Å; V616-A745 PolarHBondContact N-O 3.41Å; V616-K746 WeakPolarHBondContact O-CA 3Å | ||
| 617 | A | 85.4 | Confident | 88.5 | Confident | 44 Ų | 44 | 40.1 Ų | 40.1 | 36% | 0.364 | 21% | 0.21 | S | C | . | . | trans | -79.8 | -53 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | E621 K746 P747 | A617-E621 PolarHBondContact N-OE2 3.49Å; A617-K746 PolarHBondContact O-NZ 3.09Å; A617-P747 HydrophobicContact CB-CG 4.48Å | ||
| 618 | D | 86.8 | Confident | 88.7 | Confident | 107 Ų | 107 | 41.7 Ų | 41.7 | 57% | 0.572 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -105.1 | 148.6 | -165.3 | -63.8 | -51.5 | 0 | 0 | 0 | 112.7 | E621 K622 | D618-E621 HydrophobicContact CB-CB 4.48Å; D618-E621 WeakPolarHBondContact O-CB 3.36Å; D618-E621 PolarHBondContact O-N 3.28Å; D618-K622 PolarHBondContact O-N 3.11Å |
| 619 | E | 86.6 | Confident | 88.6 | Confident | 70 Ų | 70 | 41.7 Ų | 41.7 | 33% | 0.327 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.8 | -36.5 | -179.8 | -64.6 | -63.9 | 133.5 | 0 | 0 | 113.5 | E621 K622 I623 Y710 K746 | E619-E621 VanDerWaalsContact C-N 3.31Å; E619-E621 PolarHBondContact O-N 3.1Å; E619-K622 WeakPolarHBondContact O-CB 3.48Å; E619-K622 PolarHBondContact O-N 2.87Å; E619-K622 WeakPolarHBondContact OE1-CE 3.36Å; E619-K622 IonicContact OE1-NZ 3.83Å; E619-K622 PolarHBondContact OE1-NZ 3.4Å; E619-K622 IonicContact OE2-NZ 3.54Å; E619-I623 WeakPolarHBondContact O-CG1 3.2Å; E619-I623 PolarHBondContact O-N 3.47Å; E619-Y710 VanDerWaalsContact OE2-CE1 3.26Å; E619-Y710 WeakPolarHBondContact OE2-CE1 3.21Å; E619-Y710 VanDerWaalsContact OE2-CZ 3.31Å; E619-Y710 PolarHBondContact OE2-OH 2.83Å; E619-K746 WeakPolarHBondContact OE1-CE 3.48Å; E619-K746 IonicContact OE1-NZ 3.66Å; E619-K746 PolarHBondContact OE1-NZ 3.44Å |
| 620 | P | 87.4 | Confident | 88.2 | Confident | 94 Ų | 94 | 43.1 Ų | 43.1 | 61% | 0.61 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -57.9 | -40.8 | 169.8 | -26.3 | 36.3 | 0 | 0 | 0 | 113.2 | K622 I623 E624 | P620-K622 PolarHBondContact O-N 2.86Å; P620-I623 PolarHBondContact O-N 2.67Å; P620-I623 VanDerWaalsContact O-N 3.12Å; P620-E624 PolarHBondContact O-N 2.68Å |
| 621 | E | 88.4 | Confident | 87.7 | Confident | 85 Ų | 85 | 43.2 Ų | 43.2 | 40% | 0.397 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.1 | -38.9 | 177.5 | -167.7 | -172.1 | -148.9 | 0 | 0 | 111.2 | V616 A617 D618 E619 I623 E624 H625 | V616-E621 WeakPolarHBondContact CA-OE2 3.31Å; V616-E621 HydrophobicContact CG1-CB 3.65Å; V616-E621 HydrophobicContact CG1-CG 3.67Å; V616-E621 VanDerWaalsContact CG1-OE2 3.23Å; V616-E621 WeakPolarHBondContact CG1-OE2 3.46Å; A617-E621 PolarHBondContact N-OE2 3.49Å; D618-E621 HydrophobicContact CB-CB 4.48Å; D618-E621 WeakPolarHBondContact O-CB 3.36Å; D618-E621 PolarHBondContact O-N 3.28Å; E619-E621 VanDerWaalsContact C-N 3.31Å; E619-E621 PolarHBondContact O-N 3.1Å; E621-I623 VanDerWaalsContact C-N 3.3Å; E621-I623 PolarHBondContact O-N 3.33Å; E621-E624 PolarHBondContact O-N 3.33Å; E621-H625 PolarHBondContact O-CD2 2.62Å; E621-H625 PolarHBondContact O-N 2.83Å |
| 622 | K | 89.5 | Confident | 87 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.7 | -39.9 | 170.9 | -74.9 | -172.7 | -179.7 | 175.6 | 0 | 112 | V616 D618 E619 P620 H625 L626 Y710 S711 F744 | V616-K622 HydrophobicContact CB-CG 3.97Å; V616-K622 HydrophobicContact CG1-CB 4.17Å; V616-K622 HydrophobicContact CG1-CG 3.5Å; V616-K622 VanDerWaalsContact CG1-N 3.33Å; D618-K622 PolarHBondContact O-N 3.11Å; E619-K622 WeakPolarHBondContact O-CB 3.48Å; E619-K622 PolarHBondContact O-N 2.87Å; E619-K622 WeakPolarHBondContact OE1-CE 3.36Å; E619-K622 IonicContact OE1-NZ 3.83Å; E619-K622 PolarHBondContact OE1-NZ 3.4Å; E619-K622 IonicContact OE2-NZ 3.54Å; P620-K622 PolarHBondContact O-N 2.86Å; K622-H625 PolarHBondContact O-N 2.71Å; K622-L626 WeakPolarHBondContact O-CB 3.44Å; K622-L626 PolarHBondContact O-N 3.36Å; K622-Y710 HydrophobicContact CB-CE2 4.18Å; K622-Y710 HydrophobicContact CD-CE1 3.89Å; K622-Y710 HydrophobicContact CD-CE2 4.12Å; K622-Y710 WeakPolarHBondContact CE-O 3.41Å; K622-Y710 PolarHBondContact NZ-O 2.69Å; K622-S711 PolarHBondContact NZ-OG 2.85Å; K622-S711 VanDerWaalsContact NZ-OG 3.16Å; K622-F744 HydrophobicContact CB-CD2 4.12Å; K622-F744 HydrophobicContact CB-CE2 4.26Å; K622-F744 HydrophobicContact CD-CB 4.46Å; K622-F744 HydrophobicContact CD-CD2 4.07Å; K622-F744 HydrophobicContact CG-CD2 3.96Å |
| 623 | I | 88.3 | Confident | 86 | Confident | 20 Ų | 20 | 48.5 Ų | 48.5 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.4 | -36.8 | 178.2 | -63.7 | -62 | 0 | 0 | 0 | 111.4 | E619 P620 E621 L626 K627 L654 I661 | E619-I623 WeakPolarHBondContact O-CG1 3.2Å; E619-I623 PolarHBondContact O-N 3.47Å; P620-I623 PolarHBondContact O-N 2.67Å; P620-I623 VanDerWaalsContact O-N 3.12Å; E621-I623 VanDerWaalsContact C-N 3.3Å; E621-I623 PolarHBondContact O-N 3.33Å; I623-L626 HydrophobicContact CD1-CD2 4.42Å; I623-L626 PolarHBondContact O-N 2.85Å; I623-K627 HydrophobicContact CG2-CD 4.45Å; I623-K627 WeakPolarHBondContact O-CG 3.25Å; I623-K627 PolarHBondContact O-N 2.76Å; I623-L654 HydrophobicContact CD1-CD1 3.52Å; I623-I661 HydrophobicContact CG2-CD1 4.49Å |
| 624 | E | 87.7 | Confident | 84.5 | Confident | 102 Ų | 102 | 56 Ų | 56 | 48% | 0.477 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.6 | -42.4 | 172.8 | -60.2 | -42.5 | 122.2 | 0 | 0 | 112.7 | P620 E621 L626 K627 A628 | P620-E624 PolarHBondContact O-N 2.68Å; E621-E624 PolarHBondContact O-N 3.33Å; E624-L626 VanDerWaalsContact C-N 3.26Å; E624-L626 PolarHBondContact O-N 3.33Å; E624-K627 WeakPolarHBondContact O-CB 3.22Å; E624-K627 PolarHBondContact O-N 2.81Å; E624-K627 IonicContact OE1-NZ 3.78Å; E624-K627 PolarHBondContact OE1-NZ 3.16Å; E624-K627 WeakPolarHBondContact OE2-CD 3.45Å; E624-K627 IonicContact OE2-NZ 2.76Å; E624-K627 PolarHBondContact OE2-NZ 3.08Å; E624-A628 PolarHBondContact O-N 2.91Å |
| 625 | H | 87.9 | Confident | 82.6 | Confident | 57 Ų | 57 | 60.1 Ų | 60.1 | 26% | 0.264 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.5 | -35 | 172 | -80.9 | -55.9 | 0 | 0 | 0 | 112.8 | E621 K622 A628 L629 F744 | E621-H625 PolarHBondContact O-CD2 2.62Å; E621-H625 PolarHBondContact O-N 2.83Å; K622-H625 PolarHBondContact O-N 2.71Å; H625-A628 PolarHBondContact O-N 3.36Å; H625-L629 WeakPolarHBondContact O-CG 3.26Å; H625-L629 PolarHBondContact O-N 3.31Å; H625-L629 VanDerWaalsContact O-N 3.07Å; H625-F744 HydrophobicContact CB-CE1 4.3Å; H625-F744 HydrophobicContact CB-CZ 4.05Å |
| 626 | L | 88.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -70.9 | -39.9 | 175.4 | 179.8 | 53.2 | 0 | 0 | 0 | 112.3 | K622 I623 E624 A628 L629 I630 M643 L654 L658 I708 Y710 F744 | K622-L626 WeakPolarHBondContact O-CB 3.44Å; K622-L626 PolarHBondContact O-N 3.36Å; I623-L626 HydrophobicContact CD1-CD2 4.42Å; I623-L626 PolarHBondContact O-N 2.85Å; E624-L626 VanDerWaalsContact C-N 3.26Å; E624-L626 PolarHBondContact O-N 3.33Å; L626-A628 VanDerWaalsContact C-N 3.33Å; L626-A628 PolarHBondContact O-N 3.18Å; L626-L629 PolarHBondContact O-N 3.49Å; L626-I630 HydrophobicContact CD1-CD1 3.71Å; L626-I630 HydrophobicContact CD1-CG1 4.12Å; L626-I630 HydrophobicContact CG-CD1 3.84Å; L626-I630 WeakPolarHBondContact O-CB 3.28Å; L626-I630 WeakPolarHBondContact O-CD1 3.45Å; L626-I630 VanDerWaalsContact O-CG1 3.24Å; L626-I630 WeakPolarHBondContact O-CG1 3.37Å; L626-I630 PolarHBondContact O-N 3Å; L626-M643 HydrophobicContact CD1-CE 3.36Å; L626-M643 HydrophobicContact CD2-CE 3.68Å; L626-M643 HydrophobicContact CG-CE 4.17Å; L626-L654 HydrophobicContact CD2-CD1 4.17Å; L626-L658 HydrophobicContact CD2-CD2 3.87Å; L626-L658 HydrophobicContact CG-CD2 4.36Å; L626-I708 HydrophobicContact CD1-CD1 3.94Å; L626-Y710 HydrophobicContact CD2-CE2 4.31Å; L626-F744 HydrophobicContact CB-CE2 4.27Å; L626-F744 HydrophobicContact CB-CZ 4.33Å |
| 627 | K | 84.6 | Confident | 79 | Confident | 73 Ų | 73 | 68.8 Ų | 68.8 | 32% | 0.317 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.7 | -45.6 | 169.9 | -78.7 | 161.4 | 168.9 | 178.1 | 0 | 111.4 | I623 E624 I630 A631 I661 | I623-K627 HydrophobicContact CG2-CD 4.45Å; I623-K627 WeakPolarHBondContact O-CG 3.25Å; I623-K627 PolarHBondContact O-N 2.76Å; E624-K627 WeakPolarHBondContact O-CB 3.22Å; E624-K627 PolarHBondContact O-N 2.81Å; E624-K627 IonicContact OE1-NZ 3.78Å; E624-K627 PolarHBondContact OE1-NZ 3.16Å; E624-K627 WeakPolarHBondContact OE2-CD 3.45Å; E624-K627 IonicContact OE2-NZ 2.76Å; E624-K627 PolarHBondContact OE2-NZ 3.08Å; K627-I630 PolarHBondContact O-N 2.95Å; K627-A631 VanDerWaalsContact O-CB 3.32Å; K627-A631 WeakPolarHBondContact O-CB 3.3Å; K627-A631 PolarHBondContact O-N 3.36Å; K627-I661 HydrophobicContact CD-CD1 4.33Å; K627-I661 HydrophobicContact CG-CD1 3.55Å |
| 628 | A | 85.9 | Confident | 78 | Confident | 37 Ų | 37 | 72 Ų | 72 | 31% | 0.306 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.2 | -51.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E624 H625 L626 I630 A631 E632 | E624-A628 PolarHBondContact O-N 2.91Å; H625-A628 PolarHBondContact O-N 3.36Å; L626-A628 VanDerWaalsContact C-N 3.33Å; L626-A628 PolarHBondContact O-N 3.18Å; A628-I630 VanDerWaalsContact C-N 3.32Å; A628-I630 PolarHBondContact O-N 3.29Å; A628-A631 PolarHBondContact O-N 2.92Å; A628-A631 VanDerWaalsContact O-N 3.13Å; A628-E632 WeakPolarHBondContact O-CB 3.42Å; A628-E632 VanDerWaalsContact O-CG 3.31Å; A628-E632 WeakPolarHBondContact O-CG 3.47Å; A628-E632 PolarHBondContact O-N 3.25Å |
| 629 | L | 85.1 | Confident | 77.4 | Confident | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -56.7 | -42.4 | 175.2 | -75.5 | 165.8 | 0 | 0 | 0 | 112.9 | H625 L626 R633 I708 V742 F744 | H625-L629 WeakPolarHBondContact O-CG 3.26Å; H625-L629 PolarHBondContact O-N 3.31Å; H625-L629 VanDerWaalsContact O-N 3.07Å; L626-L629 PolarHBondContact O-N 3.49Å; L629-R633 VanDerWaalsContact O-CG 3.27Å; L629-R633 WeakPolarHBondContact O-CG 3.43Å; L629-R633 PolarHBondContact O-N 3.4Å; L629-I708 HydrophobicContact CD1-CD1 4.48Å; L629-V742 HydrophobicContact CD1-CG1 4.06Å; L629-V742 HydrophobicContact CD2-CG2 4.18Å; L629-F744 HydrophobicContact CD1-CE1 3.94Å; L629-F744 HydrophobicContact CD1-CZ 3.87Å |
| 630 | I | 79.7 | Confident | 77.2 | Confident | 34 Ų | 34 | 67.6 Ų | 67.6 | 17% | 0.174 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -69.6 | -36.3 | 178.9 | -68.7 | 164.8 | 0 | 0 | 0 | 111 | L626 K627 A628 R633 R634 L658 V663 | L626-I630 HydrophobicContact CD1-CD1 3.71Å; L626-I630 HydrophobicContact CD1-CG1 4.12Å; L626-I630 HydrophobicContact CG-CD1 3.84Å; L626-I630 WeakPolarHBondContact O-CB 3.28Å; L626-I630 WeakPolarHBondContact O-CD1 3.45Å; L626-I630 VanDerWaalsContact O-CG1 3.24Å; L626-I630 WeakPolarHBondContact O-CG1 3.37Å; L626-I630 PolarHBondContact O-N 3Å; K627-I630 PolarHBondContact O-N 2.95Å; A628-I630 VanDerWaalsContact C-N 3.32Å; A628-I630 PolarHBondContact O-N 3.29Å; I630-R633 PolarHBondContact O-N 3Å; I630-R634 PolarHBondContact O-N 3.21Å; I630-L658 HydrophobicContact CD1-CD2 4.16Å; I630-V663 HydrophobicContact CD1-CG1 4.11Å; I630-V663 HydrophobicContact CD1-CG2 4.14Å; I630-V663 HydrophobicContact CG2-CG2 4.2Å |
| 631 | A | 78.4 | Confident | 77.3 | Confident | 54 Ų | 54 | 63.3 Ų | 63.3 | 45% | 0.446 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69.3 | -45.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K627 A628 R633 R634 | K627-A631 VanDerWaalsContact O-CB 3.32Å; K627-A631 WeakPolarHBondContact O-CB 3.3Å; K627-A631 PolarHBondContact O-N 3.36Å; A628-A631 PolarHBondContact O-N 2.92Å; A628-A631 VanDerWaalsContact O-N 3.13Å; A631-R633 PolarHBondContact O-N 3.18Å; A631-R634 WeakPolarHBondContact O-CB 3.38Å; A631-R634 PolarHBondContact O-N 2.91Å |
| 632 | E | 75.8 | Confident | 77.5 | Confident | 98 Ų | 98 | 59.2 Ų | 59.2 | 46% | 0.458 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -52.1 | -42 | 172.8 | -74.1 | 163.9 | -171.9 | 0 | 0 | 111 | A628 N635 | A628-E632 WeakPolarHBondContact O-CB 3.42Å; A628-E632 VanDerWaalsContact O-CG 3.31Å; A628-E632 WeakPolarHBondContact O-CG 3.47Å; A628-E632 PolarHBondContact O-N 3.25Å; E632-N635 WeakPolarHBondContact O-CB 3.39Å; E632-N635 PolarHBondContact O-N 3.23Å; E632-N635 PolarHBondContact O-ND2 2.67Å |
| 633 | R | 70.4 | Confident | 77.7 | Confident | 39 Ų | 39 | 59.2 Ų | 59.2 | 15% | 0.147 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -75.3 | -15.9 | 178.5 | -68.7 | -177.1 | 103.3 | -117.2 | 2.3 | 115.7 | L629 I630 A631 N635 F636 E639 P640 L706 | L629-R633 VanDerWaalsContact O-CG 3.27Å; L629-R633 WeakPolarHBondContact O-CG 3.43Å; L629-R633 PolarHBondContact O-N 3.4Å; I630-R633 PolarHBondContact O-N 3Å; A631-R633 PolarHBondContact O-N 3.18Å; R633-N635 PolarHBondContact O-N 2.8Å; R633-F636 CarbonylContact O-C 3.25Å; R633-F636 PolarHBondContact O-N 3.46Å; R633-E639 IonicContact CZ-OE2 3.03Å; R633-E639 IonicContact NE-OE2 3.26Å; R633-E639 PolarHBondContact NH1-O 2.82Å; R633-E639 IonicContact NH2-OE2 2.7Å; R633-E639 PolarHBondContact NH2-OE2 3.11Å; R633-P640 PolarHBondContact NH2-O 3.49Å; R633-L706 VanDerWaalsContact CD-CD2 3.44Å |
| 634 | R | 60.7 | Low | 78.1 | Confident | 182 Ų | 182 | 58.2 Ų | 58.2 | 69% | 0.687 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -18.5 | 172.8 | -74.2 | 178.3 | -179.9 | -173 | -0.1 | 112.4 | I630 A631 F636 | I630-R634 PolarHBondContact O-N 3.21Å; A631-R634 WeakPolarHBondContact O-CB 3.38Å; A631-R634 PolarHBondContact O-N 2.91Å; R634-F636 VanDerWaalsContact C-N 3.32Å |
| 635 | N | 53.8 | Low | 78.5 | Confident | 133 Ų | 133 | 53.4 Ų | 53.4 | 71% | 0.711 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -18.7 | 171.6 | -54.1 | -51.2 | 0 | 0 | 0 | 113.1 | E632 R633 | E632-N635 WeakPolarHBondContact O-CB 3.39Å; E632-N635 PolarHBondContact O-N 3.23Å; E632-N635 PolarHBondContact O-ND2 2.67Å; R633-N635 PolarHBondContact O-N 2.8Å |
| 636 | F | 53.8 | Low | 78.5 | Confident | 130 Ų | 130 | 52.6 Ų | 52.6 | 57% | 0.57 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -111.8 | 81.9 | -178.4 | -61.9 | -81.7 | 0 | 0 | 0 | 110 | R633 R634 E639 | R633-F636 CarbonylContact O-C 3.25Å; R633-F636 PolarHBondContact O-N 3.46Å; R634-F636 VanDerWaalsContact C-N 3.32Å; F636-E639 HydrophobicContact CB-CG 4.27Å |
| 637 | A | 54.1 | Low | 78.6 | Confident | 83 Ų | 83 | 55.9 Ų | 55.9 | 69% | 0.686 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 139.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 638 | N | 63.8 | Low | 78.9 | Confident | 111 Ų | 111 | 55.1 Ų | 55.1 | 59% | 0.594 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 19.5 | 175.1 | -53 | -38.6 | 0 | 0 | 0 | 117.3 | ||
| 639 | E | 74.8 | Confident | 79.3 | Confident | 64 Ų | 64 | 57.5 Ų | 57.5 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | trans | -88.2 | 122.1 | 172.9 | -70.6 | -155.2 | 163.6 | 0 | 0 | 114.6 | R633 F636 P685 S686 P705 | R633-E639 IonicContact CZ-OE2 3.03Å; R633-E639 IonicContact NE-OE2 3.26Å; R633-E639 PolarHBondContact NH1-O 2.82Å; R633-E639 IonicContact NH2-OE2 2.7Å; R633-E639 PolarHBondContact NH2-OE2 3.11Å; F636-E639 HydrophobicContact CB-CG 4.27Å; E639-P685 CarbonylContact C-O 3.52Å; E639-P685 VanDerWaalsContact C-O 3.25Å; E639-S686 WeakPolarHBondContact O-CA 3.35Å; E639-P705 HydrophobicContact CB-CG 3.76Å; E639-P705 VanDerWaalsContact CD-CG 3.49Å; E639-P705 HydrophobicContact CG-CG 3.88Å; E639-P705 WeakPolarHBondContact OE2-CB 3.27Å; E639-P705 VanDerWaalsContact OE2-CG 3.3Å; E639-P705 WeakPolarHBondContact OE2-CG 3.28Å | ||
| 640 | P | 83.1 | Confident | 79.7 | Confident | 20 Ų | 20 | 58.8 Ų | 58.8 | 13% | 0.13 | 32% | 0.317 | C | S | . | . | trans | -71.5 | 156.8 | 174.3 | 25.9 | -30.7 | 0 | 0 | 0 | 111.7 | R633 W680 P685 P705 | R633-P640 PolarHBondContact NH2-O 3.49Å; P640-W680 HydrophobicContact CB-CH2 3.92Å; P640-W680 HydrophobicContact CB-CZ2 3.5Å; P640-P685 VanDerWaalsContact CA-O 3.25Å; P640-P685 WeakPolarHBondContact CA-O 3.27Å; P640-P685 WeakPolarHBondContact CB-O 3.19Å; P640-P685 VanDerWaalsContact CD-O 3.31Å; P640-P685 WeakPolarHBondContact CD-O 3.45Å; P640-P705 WeakPolarHBondContact O-CD 3.15Å | ||
| 641 | A | 88.6 | Confident | 80.4 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 3% | 0.033 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 143.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | W680 G687 L688 L689 L706 | A641-W680 WeakPolarHBondContact O-CZ2 3.43Å; A641-G687 PolarHBondContact N-O 3.08Å; A641-L688 HydrophobicContact CB-CD1 3.82Å; A641-L689 PolarHBondContact O-N 3.12Å; A641-L706 HydrophobicContact CB-CB 4.18Å; A641-L706 HydrophobicContact CB-CD2 4.34Å; A641-L706 HydrophobicContact CB-CG 4.43Å |
| 642 | V | 93.2 | Very high | 81 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 138.2 | 171.4 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | W680 L689 V691 C701 I704 L706 L707 I708 L725 | V642-W680 HydrophobicContact CG2-CH2 3.69Å; V642-W680 HydrophobicContact CG2-CZ2 4.3Å; V642-W680 HydrophobicContact CG2-CZ3 4.44Å; V642-L689 WeakPolarHBondContact CA-O 3.37Å; V642-L689 HydrophobicContact CG2-CD2 4.45Å; V642-V691 HydrophobicContact CG1-CG1 4.29Å; V642-V691 HydrophobicContact CG1-CG2 3.83Å; V642-C701 HydrophobicContact CG2-CB 4.23Å; V642-I704 HydrophobicContact CB-CD1 4.48Å; V642-I704 HydrophobicContact CG2-CD1 4.39Å; V642-I704 HydrophobicContact CG2-CG2 3.8Å; V642-L706 PolarHBondContact N-O 3.39Å; V642-L706 VanDerWaalsContact N-O 3.15Å; V642-L707 HydrophobicContact CB-CD1 4.18Å; V642-L707 HydrophobicContact CG1-CD1 4.32Å; V642-L707 CarbonylContact O-C 3.56Å; V642-L707 WeakPolarHBondContact O-CA 3.3Å; V642-I708 PolarHBondContact O-N 2.82Å; V642-L725 HydrophobicContact CB-CD1 4.41Å; V642-L725 HydrophobicContact CG1-CD1 3.91Å |
| 643 | M | 94.7 | Very high | 81.8 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126.4 | 175.2 | 178.4 | -175.4 | -67.9 | 0 | 0 | 110.2 | L626 L654 L688 L689 L690 V691 I708 Y710 | L626-M643 HydrophobicContact CD1-CE 3.36Å; L626-M643 HydrophobicContact CD2-CE 3.68Å; L626-M643 HydrophobicContact CG-CE 4.17Å; M643-L654 HydrophobicContact SD-CD2 3.4Å; M643-L654 WeakPolarHBondContact SD-CD2 3.29Å; M643-L654 HydrophobicContact SD-CG 4.47Å; M643-L688 HydrophobicContact CB-CD1 4.04Å; M643-L688 HydrophobicContact CE-CD1 4.37Å; M643-L688 HydrophobicContact CE-CD2 3.87Å; M643-L688 HydrophobicContact SD-CD2 4.47Å; M643-L689 PolarHBondContact N-O 2.94Å; M643-L690 HydrophobicContact CB-CD2 4Å; M643-L690 HydrophobicContact CG-CD2 4.23Å; M643-L690 HydrophobicContact SD-CD2 3.61Å; M643-V691 PolarHBondContact O-N 2.93Å; M643-I708 CarbonylContact C-O 3.53Å; M643-I708 VanDerWaalsContact CA-O 3.27Å; M643-I708 WeakPolarHBondContact CA-O 3.45Å; M643-I708 HydrophobicContact CB-CB 4.16Å; M643-I708 HydrophobicContact CE-CB 4.13Å; M643-I708 HydrophobicContact CE-CD1 3.74Å; M643-I708 HydrophobicContact CE-CG2 3.98Å; M643-I708 HydrophobicContact CG-CB 4.06Å; M643-I708 HydrophobicContact CG-CG2 4.26Å; M643-Y710 HydrophobicContact SD-CD2 3.99Å; M643-Y710 HydrophobicContact SD-CG 4.32Å |
| 644 | V | 96.4 | Very high | 82.8 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 118 | -179.8 | -164.5 | 0 | 0 | 0 | 0 | 110.2 | V691 V696 L707 I708 Y710 R722 | V644-V691 WeakPolarHBondContact CA-O 3.41Å; V644-V691 HydrophobicContact CB-CG2 4.27Å; V644-V691 HydrophobicContact CG1-CG2 4.23Å; V644-V691 HydrophobicContact CG2-CG2 3.82Å; V644-V696 HydrophobicContact CG1-CG2 4.29Å; V644-V696 HydrophobicContact CG2-CG2 4.41Å; V644-L707 HydrophobicContact CG2-CD1 3.87Å; V644-I708 PolarHBondContact N-O 3.05Å; V644-Y710 PolarHBondContact O-N 3.07Å; V644-R722 HydrophobicContact CB-CG 4.33Å; V644-R722 HydrophobicContact CG1-CG 4.08Å; V644-R722 VanDerWaalsContact CG1-NE 3.33Å; V644-R722 HydrophobicContact CG2-CB 4.39Å; V644-R722 HydrophobicContact CG2-CG 4.15Å; V644-R722 PolarHBondContact O-NH1 3.4Å |
| 645 | C | 94.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 160.2 | 169.5 | -63.7 | 0 | 0 | 0 | 0 | 110.2 | E650 V651 V691 | C645-E650 WeakPolarHBondContact CA-OE2 3.03Å; C645-E650 HydrophobicContact CB-CB 4.23Å; C645-E650 HydrophobicContact CB-CG 4.03Å; C645-E650 WeakPolarHBondContact CB-OE2 3.33Å; C645-V651 HydrophobicContact CB-CG2 3.53Å; C645-V691 PolarHBondContact N-O 3.11Å |
| 646 | S | 88.7 | Confident | 86.1 | Confident | 41 Ų | 41 | 55.2 Ų | 55.2 | 29% | 0.287 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -69.3 | -35.7 | 177.3 | 63 | 0 | 0 | 0 | 0 | 113.2 | E650 | S646-E650 WeakPolarHBondContact CB-OE2 3.26Å; S646-E650 PolarHBondContact N-OE2 3.48Å; S646-E650 PolarHBondContact OG-OE2 3.05Å |
| 647 | N | 90 | Very high | 87.7 | Confident | 69 Ų | 69 | 51.4 Ų | 51.4 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -153.2 | 169.5 | -174.9 | 68.2 | 74.6 | 0 | 0 | 0 | 112.5 | T649 E650 V651 T692 | N647-T649 WeakPolarHBondContact OD1-CA 3.45Å; N647-T649 VanDerWaalsContact OD1-CB 3.27Å; N647-T649 WeakPolarHBondContact OD1-CB 3.34Å; N647-T649 PolarHBondContact OD1-N 3.14Å; N647-E650 PolarHBondContact O-N 3.1Å; N647-E650 PolarHBondContact OD1-N 2.85Å; N647-V651 PolarHBondContact O-N 2.87Å; N647-T692 VanDerWaalsContact C-CG2 3.44Å |
| 648 | S | 92.4 | Very high | 89.3 | Confident | 57 Ų | 57 | 47.5 Ų | 47.5 | 40% | 0.399 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -70.4 | -29.1 | -176.6 | 49.8 | 0 | 0 | 0 | 0 | 114.2 | V651 L652 | S648-V651 PolarHBondContact O-N 3.22Å; S648-L652 WeakPolarHBondContact O-CG 3.38Å; S648-L652 PolarHBondContact O-N 3.12Å |
| 649 | T | 93.2 | Very high | 90.5 | Very high | 86 Ų | 86 | 46.6 Ų | 46.6 | 53% | 0.528 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.3 | -43.9 | 175.7 | -52 | 0 | 0 | 0 | 0 | 110.8 | N647 V651 L652 L653 | N647-T649 WeakPolarHBondContact OD1-CA 3.45Å; N647-T649 VanDerWaalsContact OD1-CB 3.27Å; N647-T649 WeakPolarHBondContact OD1-CB 3.34Å; N647-T649 PolarHBondContact OD1-N 3.14Å; T649-V651 VanDerWaalsContact C-N 3.34Å; T649-V651 PolarHBondContact O-N 3.16Å; T649-L652 PolarHBondContact O-N 2.82Å; T649-L653 HydrophobicContact CG2-CD1 4.26Å; T649-L653 WeakPolarHBondContact O-CG 3.43Å; T649-L653 PolarHBondContact O-N 2.88Å |
| 650 | E | 92.9 | Very high | 91.1 | Very high | 29 Ų | 29 | 47.8 Ų | 47.8 | 14% | 0.136 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.6 | -44 | 173.6 | -174.8 | 175.2 | -136.6 | 0 | 0 | 111.4 | C645 S646 N647 L652 L653 L654 Y710 S711 | C645-E650 WeakPolarHBondContact CA-OE2 3.03Å; C645-E650 HydrophobicContact CB-CB 4.23Å; C645-E650 HydrophobicContact CB-CG 4.03Å; C645-E650 WeakPolarHBondContact CB-OE2 3.33Å; S646-E650 WeakPolarHBondContact CB-OE2 3.26Å; S646-E650 PolarHBondContact N-OE2 3.48Å; S646-E650 PolarHBondContact OG-OE2 3.05Å; N647-E650 PolarHBondContact O-N 3.1Å; N647-E650 PolarHBondContact OD1-N 2.85Å; E650-L652 PolarHBondContact O-N 2.9Å; E650-L653 PolarHBondContact O-N 3.23Å; E650-L654 WeakPolarHBondContact O-CB 3.49Å; E650-L654 PolarHBondContact O-N 3.05Å; E650-Y710 HydrophobicContact CG-CD1 4.29Å; E650-Y710 WeakPolarHBondContact OE1-CD1 3.16Å; E650-S711 VanDerWaalsContact OE1-CB 3.22Å; E650-S711 WeakPolarHBondContact OE1-CB 3.5Å; E650-S711 PolarHBondContact OE1-OG 3.44Å |
| 651 | V | 94.4 | Very high | 91 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.4 | -43.8 | 174.2 | 172 | 0 | 0 | 0 | 0 | 112.1 | C645 N647 S648 T649 R655 I667 V669 L690 T692 | C645-V651 HydrophobicContact CB-CG2 3.53Å; N647-V651 PolarHBondContact O-N 2.87Å; S648-V651 PolarHBondContact O-N 3.22Å; T649-V651 VanDerWaalsContact C-N 3.34Å; T649-V651 PolarHBondContact O-N 3.16Å; V651-R655 WeakPolarHBondContact O-CB 3.39Å; V651-R655 PolarHBondContact O-N 2.98Å; V651-I667 HydrophobicContact CG1-CB 4.46Å; V651-I667 HydrophobicContact CG1-CD1 3.87Å; V651-I667 HydrophobicContact CG1-CG1 3.86Å; V651-I667 HydrophobicContact CG1-CG2 3.84Å; V651-V669 HydrophobicContact CB-CG1 4.09Å; V651-V669 HydrophobicContact CG1-CG1 3.88Å; V651-V669 HydrophobicContact CG2-CG1 4.11Å; V651-L690 HydrophobicContact CG1-CB 3.75Å; V651-L690 HydrophobicContact CG1-CD1 4.12Å; V651-L690 HydrophobicContact CG2-CB 4.49Å; V651-T692 HydrophobicContact CG2-CG2 4.12Å |
| 652 | L | 92.5 | Very high | 90.7 | Very high | 95 Ų | 95 | 52 Ų | 52 | 50% | 0.497 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -70.7 | -38.8 | -178.5 | -71.4 | 173.4 | 0 | 0 | 0 | 112.9 | S648 T649 E650 R656 I667 | S648-L652 WeakPolarHBondContact O-CG 3.38Å; S648-L652 PolarHBondContact O-N 3.12Å; T649-L652 PolarHBondContact O-N 2.82Å; E650-L652 PolarHBondContact O-N 2.9Å; L652-R656 WeakPolarHBondContact O-CG 3.21Å; L652-R656 PolarHBondContact O-N 2.91Å; L652-I667 HydrophobicContact CD2-CD1 4.48Å |
| 653 | L | 92.1 | Very high | 90.2 | Very high | 97 Ų | 97 | 52.9 Ų | 52.9 | 51% | 0.508 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.9 | -49.6 | 174.2 | -69.2 | 173.2 | 0 | 0 | 0 | 110.7 | T649 E650 R655 R656 S657 | T649-L653 HydrophobicContact CG2-CD1 4.26Å; T649-L653 WeakPolarHBondContact O-CG 3.43Å; T649-L653 PolarHBondContact O-N 2.88Å; E650-L653 PolarHBondContact O-N 3.23Å; L653-R655 VanDerWaalsContact C-N 3.29Å; L653-R655 PolarHBondContact O-N 2.96Å; L653-R656 WeakPolarHBondContact O-CB 3.46Å; L653-R656 PolarHBondContact O-N 2.73Å; L653-S657 PolarHBondContact O-N 3.42Å; L653-S657 VanDerWaalsContact O-N 3.12Å; L653-S657 PolarHBondContact O-OG 3.33Å |
| 654 | L | 92 | Very high | 89.6 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.3 | -34.4 | -179.4 | -174.7 | 53.8 | 0 | 0 | 0 | 112.4 | I623 L626 M643 E650 R656 S657 L658 L690 Y710 | I623-L654 HydrophobicContact CD1-CD1 3.52Å; L626-L654 HydrophobicContact CD2-CD1 4.17Å; M643-L654 HydrophobicContact SD-CD2 3.4Å; M643-L654 WeakPolarHBondContact SD-CD2 3.29Å; M643-L654 HydrophobicContact SD-CG 4.47Å; E650-L654 WeakPolarHBondContact O-CB 3.49Å; E650-L654 PolarHBondContact O-N 3.05Å; L654-R656 VanDerWaalsContact C-N 3.32Å; L654-R656 PolarHBondContact O-N 3.02Å; L654-S657 PolarHBondContact O-N 3.24Å; L654-L658 HydrophobicContact CD1-CD1 4.42Å; L654-L658 HydrophobicContact CD1-CG 4.27Å; L654-L658 HydrophobicContact CG-CD1 4.08Å; L654-L658 HydrophobicContact CG-CG 4.42Å; L654-L658 WeakPolarHBondContact O-CB 3.39Å; L654-L658 VanDerWaalsContact O-CG 3.26Å; L654-L658 WeakPolarHBondContact O-CG 3.36Å; L654-L658 PolarHBondContact O-N 2.93Å; L654-L690 HydrophobicContact CD2-CD2 4.49Å; L654-Y710 HydrophobicContact CD1-CD2 4.34Å; L654-Y710 HydrophobicContact CD1-CE2 3.7Å; L654-Y710 HydrophobicContact CD2-CD1 4.02Å; L654-Y710 HydrophobicContact CD2-CD2 3.48Å; L654-Y710 VanDerWaalsContact CD2-CD2 3.48Å; L654-Y710 HydrophobicContact CD2-CE1 4.21Å; L654-Y710 HydrophobicContact CD2-CE2 3.67Å; L654-Y710 HydrophobicContact CD2-CG 3.67Å; L654-Y710 HydrophobicContact CG-CE2 4.36Å |
| 655 | R | 91.2 | Very high | 89.1 | Confident | 95 Ų | 95 | 59 Ų | 59 | 36% | 0.358 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.8 | -43.7 | 171.5 | -161.3 | -151.5 | -161.7 | 158.6 | 2.3 | 112.1 | V651 L653 L658 Q659 I667 L690 | V651-R655 WeakPolarHBondContact O-CB 3.39Å; V651-R655 PolarHBondContact O-N 2.98Å; L653-R655 VanDerWaalsContact C-N 3.29Å; L653-R655 PolarHBondContact O-N 2.96Å; R655-L658 PolarHBondContact O-N 3.25Å; R655-Q659 WeakPolarHBondContact O-CB 3.47Å; R655-Q659 VanDerWaalsContact O-CG 3.26Å; R655-Q659 WeakPolarHBondContact O-CG 3.34Å; R655-Q659 PolarHBondContact O-N 3.13Å; R655-Q659 PolarHBondContact O-OE1 2.66Å; R655-I667 HydrophobicContact CB-CD1 4.01Å; R655-I667 HydrophobicContact CG-CD1 3.84Å; R655-L690 HydrophobicContact CB-CD1 4.1Å |
| 656 | R | 91 | Very high | 88.9 | Confident | 173 Ų | 173 | 60.8 Ų | 60.8 | 65% | 0.653 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.8 | -45.6 | 178.9 | -65.5 | 171.3 | -178.3 | 176.1 | 0.7 | 110.8 | L652 L653 L654 L658 Q659 A660 | L652-R656 WeakPolarHBondContact O-CG 3.21Å; L652-R656 PolarHBondContact O-N 2.91Å; L653-R656 WeakPolarHBondContact O-CB 3.46Å; L653-R656 PolarHBondContact O-N 2.73Å; L654-R656 VanDerWaalsContact C-N 3.32Å; L654-R656 PolarHBondContact O-N 3.02Å; R656-L658 VanDerWaalsContact C-N 3.33Å; R656-L658 PolarHBondContact O-N 3.01Å; R656-Q659 PolarHBondContact O-N 3.05Å; R656-A660 WeakPolarHBondContact O-CB 3.47Å; R656-A660 PolarHBondContact O-N 3.49Å |
| 657 | S | 89 | Confident | 89 | Confident | 51 Ų | 51 | 59.8 Ų | 59.8 | 36% | 0.357 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 176 | -55.5 | 0 | 0 | 0 | 0 | 112.1 | L653 L654 A660 I661 | L653-S657 PolarHBondContact O-N 3.42Å; L653-S657 VanDerWaalsContact O-N 3.12Å; L653-S657 PolarHBondContact O-OG 3.33Å; L654-S657 PolarHBondContact O-N 3.24Å; S657-A660 PolarHBondContact O-N 2.66Å; S657-I661 PolarHBondContact O-N 2.64Å |
| 658 | L | 87.6 | Confident | 89.1 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 175.7 | -75.1 | 171.1 | 0 | 0 | 0 | 112.6 | L626 I630 L654 R655 R656 A660 I661 G662 V663 A665 L688 L690 | L626-L658 HydrophobicContact CD2-CD2 3.87Å; L626-L658 HydrophobicContact CG-CD2 4.36Å; I630-L658 HydrophobicContact CD1-CD2 4.16Å; L654-L658 HydrophobicContact CD1-CD1 4.42Å; L654-L658 HydrophobicContact CD1-CG 4.27Å; L654-L658 HydrophobicContact CG-CD1 4.08Å; L654-L658 HydrophobicContact CG-CG 4.42Å; L654-L658 WeakPolarHBondContact O-CB 3.39Å; L654-L658 VanDerWaalsContact O-CG 3.26Å; L654-L658 WeakPolarHBondContact O-CG 3.36Å; L654-L658 PolarHBondContact O-N 2.93Å; R655-L658 PolarHBondContact O-N 3.25Å; R656-L658 VanDerWaalsContact C-N 3.33Å; R656-L658 PolarHBondContact O-N 3.01Å; L658-A660 VanDerWaalsContact C-N 3.34Å; L658-A660 PolarHBondContact O-N 3.47Å; L658-I661 HydrophobicContact CD2-CD1 4.22Å; L658-I661 CarbonylContact O-C 3.48Å; L658-I661 WeakPolarHBondContact O-CG1 3.42Å; L658-I661 PolarHBondContact O-N 2.92Å; L658-G662 PolarHBondContact O-N 3.34Å; L658-V663 CarbonylContact C-O 3.55Å; L658-V663 VanDerWaalsContact C-O 3.31Å; L658-V663 HydrophobicContact CB-CB 4.22Å; L658-V663 HydrophobicContact CB-CG1 4.47Å; L658-V663 HydrophobicContact CD2-CB 4.04Å; L658-V663 HydrophobicContact CD2-CG1 3.98Å; L658-V663 PolarHBondContact O-N 3.46Å; L658-A665 HydrophobicContact CD1-CB 4.06Å; L658-L688 HydrophobicContact CD1-CD2 3.74Å; L658-L690 HydrophobicContact CD1-CD1 4.19Å; L658-L690 HydrophobicContact CD1-CD2 4.02Å |
| 659 | Q | 88.1 | Confident | 89 | Confident | 93 Ų | 93 | 55.9 Ų | 55.9 | 44% | 0.435 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 176.6 | -74.1 | 175.7 | -60.1 | 0 | 0 | 111.9 | R655 R656 I661 G662 | R655-Q659 WeakPolarHBondContact O-CB 3.47Å; R655-Q659 VanDerWaalsContact O-CG 3.26Å; R655-Q659 WeakPolarHBondContact O-CG 3.34Å; R655-Q659 PolarHBondContact O-N 3.13Å; R655-Q659 PolarHBondContact O-OE1 2.66Å; R656-Q659 PolarHBondContact O-N 3.05Å; Q659-I661 PolarHBondContact O-N 3.48Å; Q659-G662 PolarHBondContact O-N 2.97Å |
| 660 | A | 87.3 | Confident | 88.9 | Confident | 88 Ų | 88 | 54.3 Ų | 54.3 | 73% | 0.727 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.8 | -24.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R656 S657 L658 | R656-A660 WeakPolarHBondContact O-CB 3.47Å; R656-A660 PolarHBondContact O-N 3.49Å; S657-A660 PolarHBondContact O-N 2.66Å; L658-A660 VanDerWaalsContact C-N 3.34Å; L658-A660 PolarHBondContact O-N 3.47Å |
| 661 | I | 82.4 | Confident | 88.4 | Confident | 56 Ų | 56 | 57.4 Ų | 57.4 | 29% | 0.287 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 15.5 | 175.6 | 68 | 164.7 | 0 | 0 | 0 | 113.1 | I623 K627 S657 L658 Q659 V663 | I623-I661 HydrophobicContact CG2-CD1 4.49Å; K627-I661 HydrophobicContact CD-CD1 4.33Å; K627-I661 HydrophobicContact CG-CD1 3.55Å; S657-I661 PolarHBondContact O-N 2.64Å; L658-I661 HydrophobicContact CD2-CD1 4.22Å; L658-I661 CarbonylContact O-C 3.48Å; L658-I661 WeakPolarHBondContact O-CG1 3.42Å; L658-I661 PolarHBondContact O-N 2.92Å; Q659-I661 PolarHBondContact O-N 3.48Å; I661-V663 HydrophobicContact CD1-CG2 4.16Å; I661-V663 HydrophobicContact CG1-CB 4.45Å; I661-V663 HydrophobicContact CG1-CG2 4.09Å; I661-V663 PolarHBondContact O-N 3.04Å |
| 662 | G | 81.6 | Confident | 87.9 | Confident | 58 Ų | 58 | 61.6 Ų | 61.6 | 60% | 0.598 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | 20.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L658 Q659 | L658-G662 PolarHBondContact O-N 3.34Å; Q659-G662 PolarHBondContact O-N 2.97Å |
| 663 | V | 81.8 | Confident | 87.6 | Confident | 17 Ų | 17 | 58.4 Ų | 58.4 | 10% | 0.103 | 33% | 0.334 | C | S | . | . | trans | -104.2 | 111.8 | 176.4 | 178.3 | 0 | 0 | 0 | 0 | 110 | I630 L658 I661 | I630-V663 HydrophobicContact CD1-CG1 4.11Å; I630-V663 HydrophobicContact CD1-CG2 4.14Å; I630-V663 HydrophobicContact CG2-CG2 4.2Å; L658-V663 CarbonylContact C-O 3.55Å; L658-V663 VanDerWaalsContact C-O 3.31Å; L658-V663 HydrophobicContact CB-CB 4.22Å; L658-V663 HydrophobicContact CB-CG1 4.47Å; L658-V663 HydrophobicContact CD2-CB 4.04Å; L658-V663 HydrophobicContact CD2-CG1 3.98Å; L658-V663 PolarHBondContact O-N 3.46Å; I661-V663 HydrophobicContact CD1-CG2 4.16Å; I661-V663 HydrophobicContact CG1-CB 4.45Å; I661-V663 HydrophobicContact CG1-CG2 4.09Å; I661-V663 PolarHBondContact O-N 3.04Å | ||
| 664 | N | 81.7 | Confident | 87.3 | Confident | 125 Ų | 125 | 56.8 Ų | 56.8 | 67% | 0.668 | 32% | 0.322 | S | S | * | . | trans | -78 | 126.6 | 171.6 | -76.8 | -37.7 | 0 | 0 | 0 | 110.6 | ||||
| 665 | A | 87.1 | Confident | 86.9 | Confident | 5 Ų | 5 | 60.2 Ų | 60.2 | 4% | 0.041 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 136 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L658 L688 L690 | L658-A665 HydrophobicContact CD1-CB 4.06Å; A665-L688 WeakPolarHBondContact CA-O 3.13Å; A665-L688 HydrophobicContact CB-CB 4.26Å; A665-L688 HydrophobicContact CB-CD2 4.42Å; A665-L690 HydrophobicContact CB-CD1 4.09Å; A665-L690 HydrophobicContact CB-CG 4.01Å |
| 666 | H | 89.7 | Confident | 86.6 | Confident | 36 Ų | 36 | 58 Ų | 58 | 17% | 0.167 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 158.9 | 170.8 | -71.3 | -95.7 | 0 | 0 | 0 | 109.9 | W680 Q683 S684 L688 L689 L690 | H666-W680 HydrophobicContact CB-CB 3.94Å; H666-W680 HydrophobicContact CB-CG 4.24Å; H666-W680 AromaticContact CD2-CD1 3.66Å; H666-Q683 PolarHBondContact CE1-OE1 3.05Å; H666-S684 WeakPolarHBondContact NE2-CB 3.42Å; H666-S684 PolarHBondContact NE2-OG 2.94Å; H666-L688 PolarHBondContact N-O 2.94Å; H666-L689 HydrophobicContact CB-CD1 3.84Å; H666-L690 PolarHBondContact O-N 3.25Å |
| 667 | I | 92.3 | Very high | 86.3 | Confident | 20 Ų | 20 | 50.1 Ų | 50.1 | 10% | 0.103 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 135.7 | -174.3 | -70.2 | 176.5 | 0 | 0 | 0 | 111.2 | V651 L652 R655 V669 N676 L690 | V651-I667 HydrophobicContact CG1-CB 4.46Å; V651-I667 HydrophobicContact CG1-CD1 3.87Å; V651-I667 HydrophobicContact CG1-CG1 3.86Å; V651-I667 HydrophobicContact CG1-CG2 3.84Å; L652-I667 HydrophobicContact CD2-CD1 4.48Å; R655-I667 HydrophobicContact CB-CD1 4.01Å; R655-I667 HydrophobicContact CG-CD1 3.84Å; I667-V669 HydrophobicContact CG2-CG1 3.77Å; I667-N676 WeakPolarHBondContact O-CB 3.43Å; I667-N676 PolarHBondContact O-ND2 3.36Å; I667-L690 WeakPolarHBondContact CA-O 3.42Å; I667-L690 HydrophobicContact CG1-CB 4.28Å; I667-L690 HydrophobicContact CG1-CD1 4.32Å |
| 668 | C | 91.7 | Very high | 86 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 101.1 | 165.7 | -167.3 | 0 | 0 | 0 | 0 | 110.2 | C673 V677 L689 L690 V691 V695 | C668-C673 HydrophobicContact CB-CB 4.28Å; C668-C673 VanDerWaalsContact SG-C 3.58Å; C668-C673 PolarHBondContact SG-O 3.37Å; C668-C673 VanDerWaalsContact SG-O 3.34Å; C668-V677 HydrophobicContact CB-CG2 4.14Å; C668-L689 HydrophobicContact CB-CD1 4.33Å; C668-L690 PolarHBondContact N-O 2.9Å; C668-V691 HydrophobicContact CB-CG1 4.08Å; C668-V691 VanDerWaalsContact O-CA 3.32Å; C668-V691 WeakPolarHBondContact O-CA 3.27Å; C668-V695 WeakPolarHBondContact O-CG2 3.38Å |
| 669 | V | 90.6 | Very high | 85.7 | Confident | 44 Ų | 44 | 53.9 Ų | 53.9 | 27% | 0.267 | 34% | 0.336 | S | S | . | . | trans | -109 | -9 | -179.7 | -62.9 | 0 | 0 | 0 | 0 | 114.3 | V651 I667 T692 | V651-V669 HydrophobicContact CB-CG1 4.09Å; V651-V669 HydrophobicContact CG1-CG1 3.88Å; V651-V669 HydrophobicContact CG2-CG1 4.11Å; I667-V669 HydrophobicContact CG2-CG1 3.77Å; V669-T692 HydrophobicContact CB-CG2 4.33Å; V669-T692 HydrophobicContact CG1-CG2 4.09Å; V669-T692 PolarHBondContact O-OG1 2.88Å | ||
| 670 | S | 89.3 | Confident | 85.7 | Confident | 53 Ų | 53 | 49.4 Ų | 49.4 | 37% | 0.371 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -151.5 | 167.1 | 178.1 | 70.4 | 0 | 0 | 0 | 0 | 110.6 | A672 C673 | S670-A672 PolarHBondContact O-N 3.46Å; S670-C673 WeakPolarHBondContact O-CB 3.38Å; S670-C673 PolarHBondContact O-N 2.99Å |
| 671 | E | 84.1 | Confident | 85.4 | Confident | 95 Ų | 95 | 48.9 Ų | 48.9 | 44% | 0.444 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -61.2 | -29.4 | -179.3 | -53.9 | -148.8 | 106.6 | 0 | 0 | 113.1 | C673 Y674 R698 | E671-C673 PolarHBondContact O-N 3.47Å; E671-Y674 HydrophobicContact CB-CD2 3.94Å; E671-Y674 HydrophobicContact CB-CE2 3.48Å; E671-Y674 VanDerWaalsContact CB-CE2 3.48Å; E671-Y674 HydrophobicContact CG-CE2 3.67Å; E671-Y674 WeakPolarHBondContact O-CB 3.44Å; E671-Y674 WeakPolarHBondContact O-CD2 3.06Å; E671-Y674 PolarHBondContact O-N 2.97Å; E671-Y674 VanDerWaalsContact O-N 3.12Å; E671-Y674 WeakPolarHBondContact OE1-CE2 3.41Å; E671-Y674 PolarHBondContact OE1-OH 3.34Å; E671-Y674 VanDerWaalsContact OE1-OH 3.13Å; E671-R698 WeakPolarHBondContact OE1-CD 3.17Å; E671-R698 IonicContact OE1-CZ 3.63Å; E671-R698 IonicContact OE1-NE 2.73Å; E671-R698 IonicContact OE1-NH1 3.34Å; E671-R698 PolarHBondContact OE1-NH1 3.27Å; E671-R698 IonicContact OE2-NH1 3.74Å; E671-R698 PolarHBondContact OE2-NH1 3.03Å |
| 672 | A | 84.1 | Confident | 85.2 | Confident | 88 Ų | 88 | 54 Ų | 54 | 73% | 0.727 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -62.5 | -19.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S670 | S670-A672 PolarHBondContact O-N 3.46Š|
| 673 | C | 85.4 | Confident | 84.7 | Confident | 27 Ų | 27 | 56.2 Ų | 56.2 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -93.5 | 9.2 | 177.1 | -57.5 | 0 | 0 | 0 | 0 | 113.7 | C668 S670 E671 S675 N676 | C668-C673 HydrophobicContact CB-CB 4.28Å; C668-C673 VanDerWaalsContact SG-C 3.58Å; C668-C673 PolarHBondContact SG-O 3.37Å; C668-C673 VanDerWaalsContact SG-O 3.34Å; S670-C673 WeakPolarHBondContact O-CB 3.38Å; S670-C673 PolarHBondContact O-N 2.99Å; E671-C673 PolarHBondContact O-N 3.47Å; C673-S675 PolarHBondContact O-N 3.41Å; C673-N676 VanDerWaalsContact O-CB 3.26Å; C673-N676 WeakPolarHBondContact O-CB 3.17Å; C673-N676 PolarHBondContact O-N 3.04Å; C673-N676 VanDerWaalsContact O-N 3.07Å |
| 674 | Y | 86.2 | Confident | 83.9 | Confident | 64 Ų | 64 | 56.8 Ų | 56.8 | 25% | 0.251 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -25 | 179.5 | -72 | -36.5 | 0 | 0 | 0 | 113.7 | E671 N676 V677 V695 R698 L699 | E671-Y674 HydrophobicContact CB-CD2 3.94Å; E671-Y674 HydrophobicContact CB-CE2 3.48Å; E671-Y674 VanDerWaalsContact CB-CE2 3.48Å; E671-Y674 HydrophobicContact CG-CE2 3.67Å; E671-Y674 WeakPolarHBondContact O-CB 3.44Å; E671-Y674 WeakPolarHBondContact O-CD2 3.06Å; E671-Y674 PolarHBondContact O-N 2.97Å; E671-Y674 VanDerWaalsContact O-N 3.12Å; E671-Y674 WeakPolarHBondContact OE1-CE2 3.41Å; E671-Y674 PolarHBondContact OE1-OH 3.34Å; E671-Y674 VanDerWaalsContact OE1-OH 3.13Å; Y674-N676 PolarHBondContact O-N 3.43Å; Y674-V677 WeakPolarHBondContact O-CB 3.3Å; Y674-V677 PolarHBondContact O-N 3.26Å; Y674-V677 VanDerWaalsContact O-N 3.15Å; Y674-V695 HydrophobicContact CE1-CB 4.06Å; Y674-V695 HydrophobicContact CE1-CG1 4.25Å; Y674-V695 PolarHBondContact OH-O 3.02Å; Y674-R698 WeakPolarHBondContact OH-CB 3.4Å; Y674-L699 HydrophobicContact CD1-CD1 4Å; Y674-L699 HydrophobicContact CE1-CD1 3.87Å |
| 675 | S | 83.3 | Confident | 82.9 | Confident | 77 Ų | 77 | 53.5 Ų | 53.5 | 54% | 0.538 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -54.2 | -40 | 168.9 | 45.5 | 0 | 0 | 0 | 0 | 112.4 | C673 V677 A678 E679 | C673-S675 PolarHBondContact O-N 3.41Å; S675-V677 PolarHBondContact O-N 2.86Å; S675-A678 PolarHBondContact O-N 3.35Å; S675-A678 VanDerWaalsContact O-N 3.11Å; S675-E679 PolarHBondContact O-N 3.33Å |
| 676 | N | 83.8 | Confident | 81.8 | Confident | 48 Ų | 48 | 56.9 Ų | 56.9 | 26% | 0.257 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.5 | -24 | -178.3 | -53.4 | 1.6 | 0 | 0 | 0 | 112 | I667 C673 Y674 E679 W680 | I667-N676 WeakPolarHBondContact O-CB 3.43Å; I667-N676 PolarHBondContact O-ND2 3.36Å; C673-N676 VanDerWaalsContact O-CB 3.26Å; C673-N676 WeakPolarHBondContact O-CB 3.17Å; C673-N676 PolarHBondContact O-N 3.04Å; C673-N676 VanDerWaalsContact O-N 3.07Å; Y674-N676 PolarHBondContact O-N 3.43Å; N676-E679 PolarHBondContact O-N 2.84Å; N676-W680 VanDerWaalsContact O-CB 3.24Å; N676-W680 WeakPolarHBondContact O-CB 3.46Å; N676-W680 PolarHBondContact O-N 3.14Å |
| 677 | V | 86.1 | Confident | 81.2 | Confident | 8 Ų | 8 | 55.7 Ų | 55.7 | 5% | 0.048 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -72.9 | -42.1 | 176.7 | -171 | 0 | 0 | 0 | 0 | 110.6 | C668 Y674 S675 E679 W680 L681 L689 L699 | C668-V677 HydrophobicContact CB-CG2 4.14Å; Y674-V677 WeakPolarHBondContact O-CB 3.3Å; Y674-V677 PolarHBondContact O-N 3.26Å; Y674-V677 VanDerWaalsContact O-N 3.15Å; S675-V677 PolarHBondContact O-N 2.86Å; V677-E679 PolarHBondContact O-N 3.41Å; V677-W680 HydrophobicContact CG1-CE3 3.99Å; V677-W680 HydrophobicContact CG1-CZ3 4.24Å; V677-L681 HydrophobicContact CG1-CD1 4.4Å; V677-L681 WeakPolarHBondContact O-CB 3.39Å; V677-L681 VanDerWaalsContact O-CG 3.31Å; V677-L681 WeakPolarHBondContact O-CG 3.37Å; V677-L681 PolarHBondContact O-N 2.89Å; V677-L681 VanDerWaalsContact O-N 3.08Å; V677-L689 HydrophobicContact CG1-CD2 4.37Å; V677-L689 HydrophobicContact CG2-CD2 4.3Å; V677-L699 HydrophobicContact CG2-CD1 3.74Å |
| 678 | A | 81.9 | Confident | 81 | Confident | 64 Ų | 64 | 55.3 Ų | 55.3 | 53% | 0.529 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -73.3 | -17.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S675 R682 | S675-A678 PolarHBondContact O-N 3.35Å; S675-A678 VanDerWaalsContact O-N 3.11Å; A678-R682 VanDerWaalsContact O-CB 3.28Å; A678-R682 WeakPolarHBondContact O-CB 3.13Å; A678-R682 PolarHBondContact O-NE 3.23Å |
| 679 | E | 82.4 | Confident | 81 | Confident | 65 Ų | 65 | 55.3 Ų | 55.3 | 30% | 0.304 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -80.2 | -50.7 | 169.1 | -176.6 | 143.9 | -105.3 | 0 | 0 | 112.4 | S675 N676 V677 L681 R682 Q683 | S675-E679 PolarHBondContact O-N 3.33Å; N676-E679 PolarHBondContact O-N 2.84Å; V677-E679 PolarHBondContact O-N 3.41Å; E679-L681 PolarHBondContact O-N 3.29Å; E679-R682 PolarHBondContact O-N 3.25Å; E679-R682 IonicContact OE1-NH2 3.51Å; E679-R682 PolarHBondContact OE1-NH2 2.96Å; E679-Q683 HydrophobicContact CG-CG 4.2Å; E679-Q683 VanDerWaalsContact CG-OE1 3.24Å; E679-Q683 PolarHBondContact O-N 3.29Å; E679-Q683 PolarHBondContact OE1-NE2 3.02Å |
| 680 | W | 86.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -50.3 | -52.2 | 173.7 | 165.3 | 59.6 | 0 | 0 | 0 | 112.3 | P640 A641 V642 H666 N676 V677 R682 S684 G687 L689 C701 I704 | P640-W680 HydrophobicContact CB-CH2 3.92Å; P640-W680 HydrophobicContact CB-CZ2 3.5Å; A641-W680 WeakPolarHBondContact O-CZ2 3.43Å; V642-W680 HydrophobicContact CG2-CH2 3.69Å; V642-W680 HydrophobicContact CG2-CZ2 4.3Å; V642-W680 HydrophobicContact CG2-CZ3 4.44Å; H666-W680 HydrophobicContact CB-CB 3.94Å; H666-W680 HydrophobicContact CB-CG 4.24Å; H666-W680 AromaticContact CD2-CD1 3.66Å; N676-W680 VanDerWaalsContact O-CB 3.24Å; N676-W680 WeakPolarHBondContact O-CB 3.46Å; N676-W680 PolarHBondContact O-N 3.14Å; V677-W680 HydrophobicContact CG1-CE3 3.99Å; V677-W680 HydrophobicContact CG1-CZ3 4.24Å; W680-R682 PolarHBondContact O-N 2.95Å; W680-R682 VanDerWaalsContact O-N 3.1Å; W680-S684 CarbonylContact O-C 3.25Å; W680-S684 VanDerWaalsContact O-C 3.24Å; W680-S684 WeakPolarHBondContact O-CA 3.41Å; W680-S684 PolarHBondContact O-N 2.81Å; W680-G687 PolarHBondContact NE1-O 2.86Å; W680-L689 HydrophobicContact CD2-CB 3.8Å; W680-L689 HydrophobicContact CD2-CD1 4.43Å; W680-L689 HydrophobicContact CD2-CD2 4.32Å; W680-L689 HydrophobicContact CD2-CG 4.4Å; W680-L689 HydrophobicContact CE3-CB 4.12Å; W680-L689 HydrophobicContact CE3-CD2 3.8Å; W680-L689 HydrophobicContact CE3-CG 4.37Å; W680-L689 HydrophobicContact CG-CB 4.31Å; W680-L689 HydrophobicContact CG-CD1 4.45Å; W680-L689 HydrophobicContact CH2-CB 4.14Å; W680-L689 HydrophobicContact CH2-CD2 4.3Å; W680-L689 HydrophobicContact CZ2-CB 3.8Å; W680-L689 HydrophobicContact CZ3-CB 4.29Å; W680-L689 HydrophobicContact CZ3-CD2 3.81Å; W680-C701 HydrophobicContact CH2-CB 4.19Å; W680-C701 HydrophobicContact CZ3-CB 3.88Å; W680-I704 HydrophobicContact CH2-CG2 4.29Å |
| 681 | L | 80.8 | Confident | 81.5 | Confident | 76 Ų | 76 | 50.7 Ų | 50.7 | 40% | 0.398 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.3 | -18 | 178.7 | -70.5 | 172.2 | 0 | 0 | 0 | 114.3 | V677 E679 | V677-L681 HydrophobicContact CG1-CD1 4.4Å; V677-L681 WeakPolarHBondContact O-CB 3.39Å; V677-L681 VanDerWaalsContact O-CG 3.31Å; V677-L681 WeakPolarHBondContact O-CG 3.37Å; V677-L681 PolarHBondContact O-N 2.89Å; V677-L681 VanDerWaalsContact O-N 3.08Å; E679-L681 PolarHBondContact O-N 3.29Å |
| 682 | R | 78.7 | Confident | 82 | Confident | 165 Ų | 165 | 46.3 Ų | 46.3 | 62% | 0.623 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -104.1 | -35.5 | -174.7 | 171.6 | 174.4 | 51.2 | 96.1 | 6.5 | 113 | A678 E679 W680 | A678-R682 VanDerWaalsContact O-CB 3.28Å; A678-R682 WeakPolarHBondContact O-CB 3.13Å; A678-R682 PolarHBondContact O-NE 3.23Å; E679-R682 PolarHBondContact O-N 3.25Å; E679-R682 IonicContact OE1-NH2 3.51Å; E679-R682 PolarHBondContact OE1-NH2 2.96Å; W680-R682 PolarHBondContact O-N 2.95Å; W680-R682 VanDerWaalsContact O-N 3.1Å |
| 683 | Q | 71.3 | Confident | 82.5 | Confident | 103 Ų | 103 | 42.3 Ų | 42.3 | 48% | 0.481 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -101.7 | -21.8 | -177.4 | -69.8 | 175.3 | -3.9 | 0 | 0 | 113.4 | H666 E679 | H666-Q683 PolarHBondContact CE1-OE1 3.05Å; E679-Q683 HydrophobicContact CG-CG 4.2Å; E679-Q683 VanDerWaalsContact CG-OE1 3.24Å; E679-Q683 PolarHBondContact O-N 3.29Å; E679-Q683 PolarHBondContact OE1-NE2 3.02Å |
| 684 | S | 65.6 | Low | 82.8 | Confident | 29 Ų | 29 | 45.6 Ų | 45.6 | 20% | 0.203 | 25% | 0.251 | C | S | . | . | trans | -146 | 65.5 | -169 | -54.4 | 0 | 0 | 0 | 0 | 111 | H666 W680 S686 G687 | H666-S684 WeakPolarHBondContact NE2-CB 3.42Å; H666-S684 PolarHBondContact NE2-OG 2.94Å; W680-S684 CarbonylContact O-C 3.25Å; W680-S684 VanDerWaalsContact O-C 3.24Å; W680-S684 WeakPolarHBondContact O-CA 3.41Å; W680-S684 PolarHBondContact O-N 2.81Å; S684-S686 PolarHBondContact O-N 2.68Å; S684-G687 WeakPolarHBondContact O-CA 3.42Å; S684-G687 PolarHBondContact O-N 3.14Å | ||
| 685 | P | 59.6 | Low | 83.1 | Confident | 56 Ų | 56 | 42.6 Ų | 42.6 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -27.1 | -178.7 | 25 | -34.6 | 0 | 0 | 0 | 113.5 | E639 P640 | E639-P685 CarbonylContact C-O 3.52Å; E639-P685 VanDerWaalsContact C-O 3.25Å; P640-P685 VanDerWaalsContact CA-O 3.25Å; P640-P685 WeakPolarHBondContact CA-O 3.27Å; P640-P685 WeakPolarHBondContact CB-O 3.19Å; P640-P685 VanDerWaalsContact CD-O 3.31Å; P640-P685 WeakPolarHBondContact CD-O 3.45Å |
| 686 | S | 65.1 | Low | 83.5 | Confident | 76 Ų | 76 | 39 Ų | 39 | 53% | 0.531 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 6.9 | 170.7 | 52 | 0 | 0 | 0 | 0 | 114.3 | E639 S684 | E639-S686 WeakPolarHBondContact O-CA 3.35Å; S684-S686 PolarHBondContact O-N 2.68Å |
| 687 | G | 77.1 | Confident | 83.6 | Confident | 11 Ų | 11 | 40.8 Ų | 40.8 | 11% | 0.113 | 23% | 0.228 | C | C | . | . | trans | -82.4 | 162.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A641 W680 S684 | A641-G687 PolarHBondContact N-O 3.08Å; W680-G687 PolarHBondContact NE1-O 2.86Å; S684-G687 WeakPolarHBondContact O-CA 3.42Å; S684-G687 PolarHBondContact O-N 3.14Å | ||
| 688 | L | 87.9 | Confident | 83.6 | Confident | 12 Ų | 12 | 48.2 Ų | 48.2 | 6% | 0.063 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 134.3 | 175.1 | -172.8 | 65.7 | 0 | 0 | 0 | 111.1 | A641 M643 L658 A665 H666 L690 | A641-L688 HydrophobicContact CB-CD1 3.82Å; M643-L688 HydrophobicContact CB-CD1 4.04Å; M643-L688 HydrophobicContact CE-CD1 4.37Å; M643-L688 HydrophobicContact CE-CD2 3.87Å; M643-L688 HydrophobicContact SD-CD2 4.47Å; L658-L688 HydrophobicContact CD1-CD2 3.74Å; A665-L688 WeakPolarHBondContact CA-O 3.13Å; A665-L688 HydrophobicContact CB-CB 4.26Å; A665-L688 HydrophobicContact CB-CD2 4.42Å; H666-L688 PolarHBondContact N-O 2.94Å; L688-L690 HydrophobicContact CD2-CD2 3.75Å; L688-L690 HydrophobicContact CG-CD2 4.08Å |
| 689 | L | 92.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 118.1 | 168.3 | -177.8 | 72.5 | 0 | 0 | 0 | 110.2 | A641 V642 M643 H666 C668 V677 W680 V691 L699 | A641-L689 PolarHBondContact O-N 3.12Å; V642-L689 WeakPolarHBondContact CA-O 3.37Å; V642-L689 HydrophobicContact CG2-CD2 4.45Å; M643-L689 PolarHBondContact N-O 2.94Å; H666-L689 HydrophobicContact CB-CD1 3.84Å; C668-L689 HydrophobicContact CB-CD1 4.33Å; V677-L689 HydrophobicContact CG1-CD2 4.37Å; V677-L689 HydrophobicContact CG2-CD2 4.3Å; W680-L689 HydrophobicContact CD2-CB 3.8Å; W680-L689 HydrophobicContact CD2-CD1 4.43Å; W680-L689 HydrophobicContact CD2-CD2 4.32Å; W680-L689 HydrophobicContact CD2-CG 4.4Å; W680-L689 HydrophobicContact CE3-CB 4.12Å; W680-L689 HydrophobicContact CE3-CD2 3.8Å; W680-L689 HydrophobicContact CE3-CG 4.37Å; W680-L689 HydrophobicContact CG-CB 4.31Å; W680-L689 HydrophobicContact CG-CD1 4.45Å; W680-L689 HydrophobicContact CH2-CB 4.14Å; W680-L689 HydrophobicContact CH2-CD2 4.3Å; W680-L689 HydrophobicContact CZ2-CB 3.8Å; W680-L689 HydrophobicContact CZ3-CB 4.29Å; W680-L689 HydrophobicContact CZ3-CD2 3.81Å; L689-V691 HydrophobicContact CD2-CG1 3.76Å; L689-V691 HydrophobicContact CG-CG1 3.73Å; L689-L699 HydrophobicContact CD2-CD2 4.4Å |
| 690 | L | 94.4 | Very high | 84 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 129.5 | 172.2 | -51.5 | 179 | 0 | 0 | 0 | 110.1 | M643 V651 L654 R655 L658 A665 H666 I667 C668 L688 | M643-L690 HydrophobicContact CB-CD2 4Å; M643-L690 HydrophobicContact CG-CD2 4.23Å; M643-L690 HydrophobicContact SD-CD2 3.61Å; V651-L690 HydrophobicContact CG1-CB 3.75Å; V651-L690 HydrophobicContact CG1-CD1 4.12Å; V651-L690 HydrophobicContact CG2-CB 4.49Å; L654-L690 HydrophobicContact CD2-CD2 4.49Å; R655-L690 HydrophobicContact CB-CD1 4.1Å; L658-L690 HydrophobicContact CD1-CD1 4.19Å; L658-L690 HydrophobicContact CD1-CD2 4.02Å; A665-L690 HydrophobicContact CB-CD1 4.09Å; A665-L690 HydrophobicContact CB-CG 4.01Å; H666-L690 PolarHBondContact O-N 3.25Å; I667-L690 WeakPolarHBondContact CA-O 3.42Å; I667-L690 HydrophobicContact CG1-CB 4.28Å; I667-L690 HydrophobicContact CG1-CD1 4.32Å; C668-L690 PolarHBondContact N-O 2.9Å; L688-L690 HydrophobicContact CD2-CD2 3.75Å; L688-L690 HydrophobicContact CG-CD2 4.08Å |
| 691 | V | 95.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 162.2 | -179.4 | -52.8 | 0 | 0 | 0 | 0 | 113.1 | V642 M643 V644 C645 C668 L689 V695 V696 L699 | V642-V691 HydrophobicContact CG1-CG1 4.29Å; V642-V691 HydrophobicContact CG1-CG2 3.83Å; M643-V691 PolarHBondContact O-N 2.93Å; V644-V691 WeakPolarHBondContact CA-O 3.41Å; V644-V691 HydrophobicContact CB-CG2 4.27Å; V644-V691 HydrophobicContact CG1-CG2 4.23Å; V644-V691 HydrophobicContact CG2-CG2 3.82Å; C645-V691 PolarHBondContact N-O 3.11Å; C668-V691 HydrophobicContact CB-CG1 4.08Å; C668-V691 VanDerWaalsContact O-CA 3.32Å; C668-V691 WeakPolarHBondContact O-CA 3.27Å; L689-V691 HydrophobicContact CD2-CG1 3.76Å; L689-V691 HydrophobicContact CG-CG1 3.73Å; V691-V695 HydrophobicContact CB-CG2 3.78Å; V691-V695 HydrophobicContact CG1-CG2 4.32Å; V691-V696 HydrophobicContact CG2-CG2 4.27Å; V691-L699 HydrophobicContact CB-CD2 4.49Å; V691-L699 HydrophobicContact CG1-CD2 3.87Å; V691-L699 HydrophobicContact CG2-CD2 4.41Å |
| 692 | T | 94.9 | Very high | 84 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 159.8 | 168.2 | 52 | 0 | 0 | 0 | 0 | 111.3 | N647 V651 V669 D694 V695 | N647-T692 VanDerWaalsContact C-CG2 3.44Å; V651-T692 HydrophobicContact CG2-CG2 4.12Å; V669-T692 HydrophobicContact CB-CG2 4.33Å; V669-T692 HydrophobicContact CG1-CG2 4.09Å; V669-T692 PolarHBondContact O-OG1 2.88Å; T692-D694 PolarHBondContact O-N 2.87Å; T692-D694 VanDerWaalsContact O-N 3.08Å; T692-V695 VanDerWaalsContact O-CG2 3.28Å; T692-V695 WeakPolarHBondContact O-CG2 3.46Å; T692-V695 PolarHBondContact O-N 3.01Å |
| 693 | D | 93.3 | Very high | 84.3 | Confident | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.027 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -21.4 | 174.6 | -82.4 | -58.7 | 0 | 0 | 0 | 114.3 | A713 R718 R722 | D693-A713 WeakPolarHBondContact OD2-CB 3.33Å; D693-R718 HydrophobicContact CB-CB 4.5Å; D693-R722 VanDerWaalsContact OD1-CG 3.29Å; D693-R722 WeakPolarHBondContact OD1-CG 3.22Å; D693-R722 IonicContact OD1-CZ 3.08Å; D693-R722 IonicContact OD1-NE 3.04Å; D693-R722 PolarHBondContact OD1-NE 3.09Å; D693-R722 IonicContact OD1-NH2 3.48Å; D693-R722 IonicContact OD2-CZ 2.56Å; D693-R722 IonicContact OD2-NE 3.02Å; D693-R722 PolarHBondContact OD2-NE 3.02Å; D693-R722 IonicContact OD2-NH2 3.22Å; D693-R722 PolarHBondContact OD2-NH2 2.86Å |
| 694 | D | 91.4 | Very high | 85.1 | Confident | 96 Ų | 96 | 42.1 Ų | 42.1 | 51% | 0.513 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -31.1 | -176.6 | -61.3 | -69.5 | 0 | 0 | 0 | 114 | T692 P697 R718 | T692-D694 PolarHBondContact O-N 2.87Å; T692-D694 VanDerWaalsContact O-N 3.08Å; D694-P697 WeakPolarHBondContact O-CD 3.45Å; D694-R718 IonicContact OD1-CZ 2.74Å; D694-R718 VanDerWaalsContact OD1-CZ 3.25Å; D694-R718 IonicContact OD1-NH1 3.75Å; D694-R718 PolarHBondContact OD1-NH1 3.38Å; D694-R718 IonicContact OD1-NH2 3.61Å; D694-R718 PolarHBondContact OD1-NH2 3.4Å; D694-R718 IonicContact OD2-NH2 2.94Å; D694-R718 PolarHBondContact OD2-NH2 2.73Å |
| 695 | V | 92.3 | Very high | 86.1 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -26.5 | 177.3 | -68.1 | 0 | 0 | 0 | 0 | 112.9 | C668 Y674 V691 T692 R698 L699 | C668-V695 WeakPolarHBondContact O-CG2 3.38Å; Y674-V695 HydrophobicContact CE1-CB 4.06Å; Y674-V695 HydrophobicContact CE1-CG1 4.25Å; Y674-V695 PolarHBondContact OH-O 3.02Å; V691-V695 HydrophobicContact CB-CG2 3.78Å; V691-V695 HydrophobicContact CG1-CG2 4.32Å; T692-V695 VanDerWaalsContact O-CG2 3.28Å; T692-V695 WeakPolarHBondContact O-CG2 3.46Å; T692-V695 PolarHBondContact O-N 3.01Å; V695-R698 PolarHBondContact O-N 3.05Å; V695-L699 HydrophobicContact CB-CD1 4.47Å; V695-L699 HydrophobicContact CG2-CD1 4.4Å; V695-L699 WeakPolarHBondContact O-CB 3.46Å; V695-L699 PolarHBondContact O-N 3.32Å; V695-L699 VanDerWaalsContact O-N 3.11Å |
| 696 | V | 91.9 | Very high | 87.5 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -46.1 | -47 | -176.8 | 169.2 | 0 | 0 | 0 | 0 | 114.1 | V644 V691 R698 L699 N721 L725 | V644-V696 HydrophobicContact CG1-CG2 4.29Å; V644-V696 HydrophobicContact CG2-CG2 4.41Å; V691-V696 HydrophobicContact CG2-CG2 4.27Å; V696-R698 PolarHBondContact O-N 3.46Å; V696-L699 PolarHBondContact O-N 3.18Å; V696-N721 WeakPolarHBondContact CG1-O 3.25Å; V696-L725 HydrophobicContact CG1-CG 4.49Å |
| 697 | P | 86.7 | Confident | 88.9 | Confident | 84 Ų | 84 | 36.2 Ų | 36.2 | 55% | 0.545 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -62 | -14.7 | -174.2 | -19.8 | 30.5 | 0 | 0 | 0 | 115.5 | D694 | D694-P697 WeakPolarHBondContact O-CD 3.45Š|
| 698 | R | 85.5 | Confident | 89.8 | Confident | 164 Ų | 164 | 35.8 Ų | 35.8 | 62% | 0.619 | 18% | 0.182 | S | C | * | . | G | 310 helix | trans | -126.6 | -5 | -178.2 | -71 | 173.3 | 175.9 | -169.8 | 3.4 | 113.1 | E671 Y674 V695 V696 | E671-R698 WeakPolarHBondContact OE1-CD 3.17Å; E671-R698 IonicContact OE1-CZ 3.63Å; E671-R698 IonicContact OE1-NE 2.73Å; E671-R698 IonicContact OE1-NH1 3.34Å; E671-R698 PolarHBondContact OE1-NH1 3.27Å; E671-R698 IonicContact OE2-NH1 3.74Å; E671-R698 PolarHBondContact OE2-NH1 3.03Å; Y674-R698 WeakPolarHBondContact OH-CB 3.4Å; V695-R698 PolarHBondContact O-N 3.05Å; V696-R698 PolarHBondContact O-N 3.46Å |
| 699 | L | 88.2 | Confident | 90.2 | Very high | 17 Ų | 17 | 35.2 Ų | 35.2 | 9% | 0.089 | 18% | 0.179 | C | C | . | . | trans | -67.2 | 135.4 | -176.2 | -161.2 | 71 | 0 | 0 | 0 | 111.1 | Y674 V677 L689 V691 V695 V696 C701 L725 | Y674-L699 HydrophobicContact CD1-CD1 4Å; Y674-L699 HydrophobicContact CE1-CD1 3.87Å; V677-L699 HydrophobicContact CG2-CD1 3.74Å; L689-L699 HydrophobicContact CD2-CD2 4.4Å; V691-L699 HydrophobicContact CB-CD2 4.49Å; V691-L699 HydrophobicContact CG1-CD2 3.87Å; V691-L699 HydrophobicContact CG2-CD2 4.41Å; V695-L699 HydrophobicContact CB-CD1 4.47Å; V695-L699 HydrophobicContact CG2-CD1 4.4Å; V695-L699 WeakPolarHBondContact O-CB 3.46Å; V695-L699 PolarHBondContact O-N 3.32Å; V695-L699 VanDerWaalsContact O-N 3.11Å; V696-L699 PolarHBondContact O-N 3.18Å; L699-C701 WeakPolarHBondContact CD2-SG 3.35Å; L699-L725 HydrophobicContact CB-CD2 4.04Å; L699-L725 HydrophobicContact CD2-CD2 3.91Å; L699-L725 HydrophobicContact CG-CD2 4.37Å | ||
| 700 | K | 85.1 | Confident | 90.3 | Very high | 181 Ų | 181 | 35.6 Ų | 35.6 | 79% | 0.787 | 18% | 0.18 | S | C | * | . | trans | -122.4 | 74.3 | -177.1 | -66.2 | 179.7 | -174.8 | 173.5 | 0 | 111.3 | G702 | K700-G702 VanDerWaalsContact C-N 3.25Å; K700-G702 PolarHBondContact O-N 3.29Å | ||
| 701 | C | 82.6 | Confident | 90.2 | Very high | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.034 | 19% | 0.187 | C | C | . | . | trans | -75.5 | -1.5 | -177.7 | -63.9 | 0 | 0 | 0 | 0 | 115.4 | V642 W680 L699 I704 | V642-C701 HydrophobicContact CG2-CB 4.23Å; W680-C701 HydrophobicContact CH2-CB 4.19Å; W680-C701 HydrophobicContact CZ3-CB 3.88Å; L699-C701 WeakPolarHBondContact CD2-SG 3.35Å; C701-I704 HydrophobicContact CB-CG2 3.6Å | ||
| 702 | G | 84.2 | Confident | 90 | Very high | 39 Ų | 39 | 37.2 Ų | 37.2 | 40% | 0.402 | 19% | 0.189 | S | C | . | . | trans | 67.1 | -149.7 | -165.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | K700 A728 | K700-G702 VanDerWaalsContact C-N 3.25Å; K700-G702 PolarHBondContact O-N 3.29Å; G702-A728 WeakPolarHBondContact O-CB 3.49Å | ||
| 703 | K | 85.8 | Confident | 89.8 | Confident | 104 Ų | 104 | 37.2 Ų | 37.2 | 45% | 0.452 | 19% | 0.19 | S | C | . | . | trans | -80.1 | 130.2 | 176.3 | -65 | -170.6 | 177.6 | -175.9 | 0 | 110.4 | A728 N729 S732 | K703-A728 WeakPolarHBondContact CE-O 3.28Å; K703-A728 HydrophobicContact CG-CB 4.27Å; K703-N729 VanDerWaalsContact CA-OD1 3.24Å; K703-N729 WeakPolarHBondContact CA-OD1 3.29Å; K703-S732 VanDerWaalsContact NZ-CB 3.28Å; K703-S732 PolarHBondContact NZ-OG 2.81Å | ||
| 704 | I | 87.6 | Confident | 89.5 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -122.5 | 110.7 | 179.4 | 55.2 | 139.1 | 0 | 0 | 0 | 111.3 | V642 W680 C701 L707 L725 F726 N729 | V642-I704 HydrophobicContact CB-CD1 4.48Å; V642-I704 HydrophobicContact CG2-CD1 4.39Å; V642-I704 HydrophobicContact CG2-CG2 3.8Å; W680-I704 HydrophobicContact CH2-CG2 4.29Å; C701-I704 HydrophobicContact CB-CG2 3.6Å; I704-L707 HydrophobicContact CD1-CB 4.18Å; I704-L707 HydrophobicContact CD1-CD1 4.36Å; I704-L725 HydrophobicContact CD1-CB 3.58Å; I704-L725 HydrophobicContact CD1-CD1 4.5Å; I704-L725 HydrophobicContact CG1-CB 4.17Å; I704-F726 HydrophobicContact CD1-CD1 4.21Å; I704-F726 HydrophobicContact CD1-CE1 4.08Å; I704-F726 HydrophobicContact CG1-CD1 4.21Å; I704-F726 HydrophobicContact CG1-CE1 4.38Å; I704-F726 WeakPolarHBondContact O-CE1 3.29Å; I704-N729 PolarHBondContact N-OD1 3.07Å; I704-N729 PolarHBondContact O-ND2 2.88Å | ||
| 705 | P | 86.6 | Confident | 89.5 | Confident | 33 Ų | 33 | 42.7 Ų | 42.7 | 21% | 0.214 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -72.5 | -25.6 | 179.3 | 23.4 | -29.7 | 0 | 0 | 0 | 113.7 | E639 P640 G739 Q740 | E639-P705 HydrophobicContact CB-CG 3.76Å; E639-P705 VanDerWaalsContact CD-CG 3.49Å; E639-P705 HydrophobicContact CG-CG 3.88Å; E639-P705 WeakPolarHBondContact OE2-CB 3.27Å; E639-P705 VanDerWaalsContact OE2-CG 3.3Å; E639-P705 WeakPolarHBondContact OE2-CG 3.28Å; P640-P705 WeakPolarHBondContact O-CD 3.15Å; P705-G739 CarbonylContact O-C 3.53Å; P705-G739 VanDerWaalsContact O-CA 3.28Å; P705-G739 WeakPolarHBondContact O-CA 3.35Å; P705-Q740 PolarHBondContact O-N 3.12Å |
| 706 | L | 89.9 | Confident | 89.5 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 134.1 | 175.7 | 179.6 | 62.9 | 0 | 0 | 0 | 113.2 | R633 A641 V642 I708 Q740 V742 | R633-L706 VanDerWaalsContact CD-CD2 3.44Å; A641-L706 HydrophobicContact CB-CB 4.18Å; A641-L706 HydrophobicContact CB-CD2 4.34Å; A641-L706 HydrophobicContact CB-CG 4.43Å; V642-L706 PolarHBondContact N-O 3.39Å; V642-L706 VanDerWaalsContact N-O 3.15Å; L706-I708 HydrophobicContact CD1-CG1 4.26Å; L706-I708 HydrophobicContact CD2-CD1 3.94Å; L706-I708 HydrophobicContact CD2-CG1 3.91Å; L706-I708 HydrophobicContact CG-CD1 4.47Å; L706-I708 HydrophobicContact CG-CG1 3.92Å; L706-Q740 WeakPolarHBondContact CA-O 3.44Å; L706-Q740 HydrophobicContact CD1-CB 4.09Å; L706-Q740 HydrophobicContact CD1-CG 4.24Å; L706-Q740 WeakPolarHBondContact CD1-O 3.37Å; L706-V742 HydrophobicContact CD1-CG2 3.79Å |
| 707 | L | 94.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 122.7 | 168.2 | -177.8 | 61.9 | 0 | 0 | 0 | 110.1 | V642 V644 I704 H709 R722 L725 F726 Q740 S741 V742 | V642-L707 HydrophobicContact CB-CD1 4.18Å; V642-L707 HydrophobicContact CG1-CD1 4.32Å; V642-L707 CarbonylContact O-C 3.56Å; V642-L707 WeakPolarHBondContact O-CA 3.3Å; V644-L707 HydrophobicContact CG2-CD1 3.87Å; I704-L707 HydrophobicContact CD1-CB 4.18Å; I704-L707 HydrophobicContact CD1-CD1 4.36Å; L707-H709 VanDerWaalsContact CD2-NE2 3.35Å; L707-H709 WeakPolarHBondContact CD2-NE2 3.46Å; L707-R722 HydrophobicContact CD2-CB 4.31Å; L707-R722 WeakPolarHBondContact CD2-O 3.22Å; L707-L725 HydrophobicContact CD1-CD1 3.71Å; L707-F726 HydrophobicContact CB-CE1 4.28Å; L707-F726 HydrophobicContact CB-CE2 3.85Å; L707-F726 HydrophobicContact CB-CZ 3.44Å; L707-F726 VanDerWaalsContact CB-CZ 3.44Å; L707-F726 HydrophobicContact CD2-CD2 4.37Å; L707-F726 HydrophobicContact CD2-CE2 3.65Å; L707-F726 HydrophobicContact CD2-CZ 4.16Å; L707-F726 HydrophobicContact CG-CE2 4.42Å; L707-F726 HydrophobicContact CG-CZ 4.46Å; L707-Q740 PolarHBondContact N-O 3.32Å; L707-S741 CarbonylContact O-C 3.58Å; L707-S741 WeakPolarHBondContact O-CA 3.5Å; L707-V742 PolarHBondContact O-N 3.47Å |
| 708 | I | 95.1 | Very high | 89.8 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 129.8 | 176.6 | -52.1 | 174.7 | 0 | 0 | 0 | 109.7 | L626 L629 V642 M643 V644 L706 V742 | L626-I708 HydrophobicContact CD1-CD1 3.94Å; L629-I708 HydrophobicContact CD1-CD1 4.48Å; V642-I708 PolarHBondContact O-N 2.82Å; M643-I708 CarbonylContact C-O 3.53Å; M643-I708 VanDerWaalsContact CA-O 3.27Å; M643-I708 WeakPolarHBondContact CA-O 3.45Å; M643-I708 HydrophobicContact CB-CB 4.16Å; M643-I708 HydrophobicContact CE-CB 4.13Å; M643-I708 HydrophobicContact CE-CD1 3.74Å; M643-I708 HydrophobicContact CE-CG2 3.98Å; M643-I708 HydrophobicContact CG-CB 4.06Å; M643-I708 HydrophobicContact CG-CG2 4.26Å; V644-I708 PolarHBondContact N-O 3.05Å; L706-I708 HydrophobicContact CD1-CG1 4.26Å; L706-I708 HydrophobicContact CD2-CD1 3.94Å; L706-I708 HydrophobicContact CD2-CG1 3.91Å; L706-I708 HydrophobicContact CG-CD1 4.47Å; L706-I708 HydrophobicContact CG-CG1 3.92Å; I708-V742 CarbonylContact C-O 3.58Å; I708-V742 WeakPolarHBondContact CA-O 3.39Å |
| 709 | H | 96 | Very high | 90.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 91.4 | 174.9 | -54.6 | -128.7 | 0 | 0 | 0 | 106.9 | L707 S711 F719 R722 F723 S741 V742 V743 F744 | L707-H709 VanDerWaalsContact CD2-NE2 3.35Å; L707-H709 WeakPolarHBondContact CD2-NE2 3.46Å; H709-S711 VanDerWaalsContact C-N 3.31Å; H709-S711 PolarHBondContact O-N 2.94Å; H709-F719 HydrophobicContact CB-CE2 4.33Å; H709-F719 AromaticContact CE1-CE2 3.92Å; H709-F719 AromaticContact ND1-CD2 3.71Å; H709-F719 AromaticContact ND1-CE2 3.23Å; H709-F719 WeakPolarHBondContact ND1-CE2 3.39Å; H709-F719 AromaticContact ND1-CZ 3.86Å; H709-R722 WeakPolarHBondContact ND1-CD 3.38Å; H709-F723 AromaticContact CE1-CE2 3.39Å; H709-F723 WeakPolarHBondContact CE1-CE2 3.4Å; H709-F723 AromaticContact CE1-CZ 3.68Å; H709-F723 AromaticContact NE2-CE2 3.95Å; H709-F723 AromaticContact NE2-CZ 3.78Å; H709-S741 PolarHBondContact CD2-OG 3.05Å; H709-S741 PolarHBondContact NE2-OG 3.41Å; H709-V742 PolarHBondContact N-O 3.48Å; H709-V743 HydrophobicContact CB-CB 4.4Å; H709-V743 HydrophobicContact CB-CG1 4.26Å; H709-V743 HydrophobicContact CB-CG2 4.22Å; H709-F744 PolarHBondContact O-N 3.32Å |
| 710 | Y | 94.8 | Very high | 90.5 | Very high | 8 Ų | 8 | 39.6 Ų | 39.6 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -68.3 | -32.9 | -171.4 | -174.1 | -88.3 | 0 | 0 | 0 | 113.1 | E619 K622 L626 M643 V644 E650 L654 F744 | E619-Y710 VanDerWaalsContact OE2-CE1 3.26Å; E619-Y710 WeakPolarHBondContact OE2-CE1 3.21Å; E619-Y710 VanDerWaalsContact OE2-CZ 3.31Å; E619-Y710 PolarHBondContact OE2-OH 2.83Å; K622-Y710 HydrophobicContact CB-CE2 4.18Å; K622-Y710 HydrophobicContact CD-CE1 3.89Å; K622-Y710 HydrophobicContact CD-CE2 4.12Å; K622-Y710 WeakPolarHBondContact CE-O 3.41Å; K622-Y710 PolarHBondContact NZ-O 2.69Å; L626-Y710 HydrophobicContact CD2-CE2 4.31Å; M643-Y710 HydrophobicContact SD-CD2 3.99Å; M643-Y710 HydrophobicContact SD-CG 4.32Å; V644-Y710 PolarHBondContact O-N 3.07Å; E650-Y710 HydrophobicContact CG-CD1 4.29Å; E650-Y710 WeakPolarHBondContact OE1-CD1 3.16Å; L654-Y710 HydrophobicContact CD1-CD2 4.34Å; L654-Y710 HydrophobicContact CD1-CE2 3.7Å; L654-Y710 HydrophobicContact CD2-CD1 4.02Å; L654-Y710 HydrophobicContact CD2-CD2 3.48Å; L654-Y710 VanDerWaalsContact CD2-CD2 3.48Å; L654-Y710 HydrophobicContact CD2-CE1 4.21Å; L654-Y710 HydrophobicContact CD2-CE2 3.67Å; L654-Y710 HydrophobicContact CD2-CG 3.67Å; L654-Y710 HydrophobicContact CG-CE2 4.36Å; Y710-F744 AromaticContact CD2-CD2 3.97Å; Y710-F744 HydrophobicContact CD2-CD2 3.97Å; Y710-F744 HydrophobicContact CD2-CE2 4.1Å; Y710-F744 HydrophobicContact CE2-CD2 4.31Å; Y710-F744 HydrophobicContact CE2-CE2 4.33Å |
| 711 | S | 92.1 | Very high | 90.9 | Very high | 20 Ų | 20 | 33.3 Ų | 33.3 | 14% | 0.14 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -144.8 | 154.6 | 169.5 | -68.8 | 0 | 0 | 0 | 0 | 108.3 | K622 E650 H709 R722 | K622-S711 PolarHBondContact NZ-OG 2.85Å; K622-S711 VanDerWaalsContact NZ-OG 3.16Å; E650-S711 VanDerWaalsContact OE1-CB 3.22Å; E650-S711 WeakPolarHBondContact OE1-CB 3.5Å; E650-S711 PolarHBondContact OE1-OG 3.44Å; H709-S711 VanDerWaalsContact C-N 3.31Å; H709-S711 PolarHBondContact O-N 2.94Å; S711-R722 PolarHBondContact O-NH1 3.36Å; S711-R722 PolarHBondContact O-NH2 2.86Å; S711-R722 VanDerWaalsContact O-NH2 3.17Å |
| 712 | F | 91.9 | Very high | 91.5 | Very high | 13 Ų | 13 | 33.1 Ų | 33.1 | 6% | 0.057 | 19% | 0.19 | C | C | . | . | trans | -60.8 | 162.7 | 177.4 | -77.7 | -77 | 0 | 0 | 0 | 112.8 | F719 R722 V743 A745 D749 N752 L756 | F712-F719 AromaticContact CD1-CD2 3.74Å; F712-F719 HydrophobicContact CD1-CD2 3.74Å; F712-F719 AromaticContact CD1-CE2 3.75Å; F712-F719 HydrophobicContact CD1-CE2 3.75Å; F712-F719 HydrophobicContact CD1-CG 4.5Å; F712-F719 HydrophobicContact CE1-CD2 4.25Å; F712-F719 AromaticContact CE1-CE2 3.83Å; F712-F719 HydrophobicContact CE1-CE2 3.83Å; F712-F719 HydrophobicContact CE1-CZ 4.23Å; F712-R722 PolarHBondContact O-NH2 3.29Å; F712-V743 HydrophobicContact CE1-CG1 3.85Å; F712-V743 HydrophobicContact CZ-CG1 3.81Å; F712-A745 HydrophobicContact CE2-CB 3.54Å; F712-A745 HydrophobicContact CZ-CB 3.89Å; F712-D749 HydrophobicContact CD2-CB 3.76Å; F712-D749 WeakPolarHBondContact CD2-OD2 3.27Å; F712-D749 HydrophobicContact CE2-CB 3.61Å; F712-N752 HydrophobicContact CD1-CB 3.67Å; F712-N752 HydrophobicContact CD2-CB 4.02Å; F712-N752 HydrophobicContact CE1-CB 3.66Å; F712-N752 HydrophobicContact CE2-CB 3.97Å; F712-N752 HydrophobicContact CG-CB 3.86Å; F712-N752 HydrophobicContact CZ-CB 3.8Å; F712-L756 HydrophobicContact CE1-CD1 3.81Å; F712-L756 HydrophobicContact CZ-CD1 3.65Å | ||
| 713 | A | 91.3 | Very high | 92 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | trans | -82.8 | 150.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | D693 M715 R718 F719 | D693-A713 WeakPolarHBondContact OD2-CB 3.33Å; A713-M715 PolarHBondContact O-N 3.46Å; A713-R718 HydrophobicContact CB-CB 3.8Å; A713-F719 HydrophobicContact CB-CB 3.89Å | ||
| 714 | S | 87.2 | Confident | 92.4 | Very high | 104 Ų | 104 | 27.3 Ų | 27.3 | 73% | 0.727 | 16% | 0.156 | S | C | * | . | S | Bend | trans | -58.5 | -18.2 | 175.1 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 715 | M | 90.7 | Very high | 92.6 | Very high | 112 Ų | 112 | 27.8 Ų | 27.8 | 55% | 0.552 | 16% | 0.158 | S | C | * | . | S | Bend | trans | -139.5 | 139.9 | 176.2 | -67.8 | -174 | -76.6 | 0 | 0 | 111.2 | A713 A717 R718 F719 | A713-M715 PolarHBondContact O-N 3.46Å; M715-A717 PolarHBondContact O-N 3.41Å; M715-A717 VanDerWaalsContact O-N 3.16Å; M715-R718 HydrophobicContact CE-CG 4.34Å; M715-R718 PolarHBondContact O-N 3.4Å; M715-F719 PolarHBondContact O-N 3.26Å |
| 716 | W | 92.3 | Very high | 92.8 | Very high | 51 Ų | 51 | 26.2 Ų | 26.2 | 19% | 0.193 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.2 | -35 | 177.3 | -174.1 | -126.1 | 0 | 0 | 0 | 113.1 | L601 R718 F719 K720 K755 L756 | L601-W716 HydrophobicContact CD2-CH2 4.38Å; L601-W716 HydrophobicContact CD2-CZ2 4.15Å; W716-R718 PolarHBondContact O-N 2.94Å; W716-F719 HydrophobicContact CE3-CB 4.25Å; W716-F719 AromaticContact CE3-CD1 3.65Å; W716-F719 HydrophobicContact CE3-CD1 3.65Å; W716-F719 HydrophobicContact CE3-CE1 4.35Å; W716-F719 HydrophobicContact CE3-CG 4.16Å; W716-F719 AromaticContact CH2-CD1 3.86Å; W716-F719 HydrophobicContact CH2-CD1 3.86Å; W716-F719 AromaticContact CH2-CE1 3.82Å; W716-F719 HydrophobicContact CH2-CE1 3.82Å; W716-F719 AromaticContact CZ3-CD1 3.27Å; W716-F719 HydrophobicContact CZ3-CD1 3.27Å; W716-F719 AromaticContact CZ3-CE1 3.51Å; W716-F719 HydrophobicContact CZ3-CE1 3.51Å; W716-F719 HydrophobicContact CZ3-CG 4.08Å; W716-F719 HydrophobicContact CZ3-CZ 4.46Å; W716-F719 PolarHBondContact O-N 3.07Å; W716-K720 HydrophobicContact CD2-CG 4.29Å; W716-K720 HydrophobicContact CZ2-CD 4.19Å; W716-K720 HydrophobicContact CZ2-CG 4.24Å; W716-K720 WeakPolarHBondContact O-CG 3.45Å; W716-K720 PolarHBondContact O-N 3.41Å; W716-K755 HydrophobicContact CB-CD 3.99Å; W716-K755 HydrophobicContact CD2-CB 4.01Å; W716-K755 HydrophobicContact CD2-CD 3.82Å; W716-K755 HydrophobicContact CD2-CG 4.4Å; W716-K755 HydrophobicContact CE3-CB 3.97Å; W716-K755 HydrophobicContact CE3-CD 4.02Å; W716-K755 HydrophobicContact CG-CD 3.81Å; W716-K755 HydrophobicContact CH2-CB 3.94Å; W716-K755 HydrophobicContact CZ2-CB 3.95Å; W716-K755 HydrophobicContact CZ3-CB 3.93Å; W716-L756 HydrophobicContact CH2-CD2 4.06Å; W716-L756 HydrophobicContact CH2-CG 4.3Å; W716-L756 HydrophobicContact CZ3-CD2 4.46Å; W716-L756 HydrophobicContact CZ3-CG 4.43Å |
| 717 | A | 91 | Very high | 92.9 | Very high | 69 Ų | 69 | 26.6 Ų | 26.6 | 57% | 0.57 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -63.3 | -39.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | M715 N721 | M715-A717 PolarHBondContact O-N 3.41Å; M715-A717 VanDerWaalsContact O-N 3.16Å; A717-N721 WeakPolarHBondContact O-CB 3.42Å; A717-N721 PolarHBondContact O-N 3.1Å |
| 718 | R | 92.8 | Very high | 92.5 | Very high | 64 Ų | 64 | 27.6 Ų | 27.6 | 24% | 0.242 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.2 | -43.9 | 174.9 | -74.6 | 172.3 | 67 | 114.6 | -14.2 | 110.7 | D693 D694 A713 M715 W716 K720 N721 R722 | D693-R718 HydrophobicContact CB-CB 4.5Å; D694-R718 IonicContact OD1-CZ 2.74Å; D694-R718 VanDerWaalsContact OD1-CZ 3.25Å; D694-R718 IonicContact OD1-NH1 3.75Å; D694-R718 PolarHBondContact OD1-NH1 3.38Å; D694-R718 IonicContact OD1-NH2 3.61Å; D694-R718 PolarHBondContact OD1-NH2 3.4Å; D694-R718 IonicContact OD2-NH2 2.94Å; D694-R718 PolarHBondContact OD2-NH2 2.73Å; A713-R718 HydrophobicContact CB-CB 3.8Å; M715-R718 HydrophobicContact CE-CG 4.34Å; M715-R718 PolarHBondContact O-N 3.4Å; W716-R718 PolarHBondContact O-N 2.94Å; R718-K720 PolarHBondContact O-N 2.59Å; R718-N721 WeakPolarHBondContact O-CB 3.42Å; R718-N721 PolarHBondContact O-N 3.1Å; R718-N721 VanDerWaalsContact O-N 3.07Å; R718-R722 PolarHBondContact O-N 2.91Å |
| 719 | F | 95.3 | Very high | 92 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -55.6 | -48.8 | 174.7 | 176.7 | -93.3 | 0 | 0 | 0 | 112.1 | H709 F712 A713 M715 W716 N721 R722 F723 V743 L756 | H709-F719 HydrophobicContact CB-CE2 4.33Å; H709-F719 AromaticContact CE1-CE2 3.92Å; H709-F719 AromaticContact ND1-CD2 3.71Å; H709-F719 AromaticContact ND1-CE2 3.23Å; H709-F719 WeakPolarHBondContact ND1-CE2 3.39Å; H709-F719 AromaticContact ND1-CZ 3.86Å; F712-F719 AromaticContact CD1-CD2 3.74Å; F712-F719 HydrophobicContact CD1-CD2 3.74Å; F712-F719 AromaticContact CD1-CE2 3.75Å; F712-F719 HydrophobicContact CD1-CE2 3.75Å; F712-F719 HydrophobicContact CD1-CG 4.5Å; F712-F719 HydrophobicContact CE1-CD2 4.25Å; F712-F719 AromaticContact CE1-CE2 3.83Å; F712-F719 HydrophobicContact CE1-CE2 3.83Å; F712-F719 HydrophobicContact CE1-CZ 4.23Å; A713-F719 HydrophobicContact CB-CB 3.89Å; M715-F719 PolarHBondContact O-N 3.26Å; W716-F719 HydrophobicContact CE3-CB 4.25Å; W716-F719 AromaticContact CE3-CD1 3.65Å; W716-F719 HydrophobicContact CE3-CD1 3.65Å; W716-F719 HydrophobicContact CE3-CE1 4.35Å; W716-F719 HydrophobicContact CE3-CG 4.16Å; W716-F719 AromaticContact CH2-CD1 3.86Å; W716-F719 HydrophobicContact CH2-CD1 3.86Å; W716-F719 AromaticContact CH2-CE1 3.82Å; W716-F719 HydrophobicContact CH2-CE1 3.82Å; W716-F719 AromaticContact CZ3-CD1 3.27Å; W716-F719 HydrophobicContact CZ3-CD1 3.27Å; W716-F719 AromaticContact CZ3-CE1 3.51Å; W716-F719 HydrophobicContact CZ3-CE1 3.51Å; W716-F719 HydrophobicContact CZ3-CG 4.08Å; W716-F719 HydrophobicContact CZ3-CZ 4.46Å; W716-F719 PolarHBondContact O-N 3.07Å; F719-N721 VanDerWaalsContact C-N 3.32Å; F719-N721 PolarHBondContact O-N 2.98Å; F719-R722 VanDerWaalsContact O-CB 3.28Å; F719-R722 WeakPolarHBondContact O-CB 3.44Å; F719-R722 WeakPolarHBondContact O-CG 3.46Å; F719-R722 PolarHBondContact O-N 3.2Å; F719-F723 HydrophobicContact CD1-CE2 4.36Å; F719-F723 AromaticContact CE1-CE2 3.81Å; F719-F723 HydrophobicContact CE1-CE2 3.81Å; F719-F723 HydrophobicContact CE1-CZ 4.45Å; F719-F723 HydrophobicContact CZ-CE2 4.08Å; F719-F723 HydrophobicContact CZ-CZ 4.47Å; F719-V743 HydrophobicContact CE2-CG1 4.22Å; F719-V743 HydrophobicContact CE2-CG2 4.23Å; F719-V743 HydrophobicContact CZ-CG1 4.47Å; F719-V743 HydrophobicContact CZ-CG2 3.94Å; F719-L756 HydrophobicContact CE1-CD2 4.27Å; F719-L756 HydrophobicContact CZ-CD2 4.29Å |
| 720 | K | 94.7 | Very high | 91.2 | Very high | 20 Ų | 20 | 28.8 Ų | 28.8 | 9% | 0.087 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.4 | -36.7 | 176 | -68.4 | -166.7 | -65.9 | 174.3 | 0 | 112.3 | N417 D599 L601 W716 R718 R722 F723 | N417-K720 PolarHBondContact OD1-NZ 3.09Å; D599-K720 WeakPolarHBondContact OD2-CE 3.25Å; D599-K720 IonicContact OD2-NZ 2.75Å; D599-K720 PolarHBondContact OD2-NZ 3.13Å; L601-K720 HydrophobicContact CB-CB 4.04Å; L601-K720 HydrophobicContact CB-CD 4.11Å; L601-K720 HydrophobicContact CB-CG 3.89Å; L601-K720 HydrophobicContact CD2-CD 3.94Å; L601-K720 HydrophobicContact CD2-CG 3.77Å; L601-K720 HydrophobicContact CG-CG 4.49Å; W716-K720 HydrophobicContact CD2-CG 4.29Å; W716-K720 HydrophobicContact CZ2-CD 4.19Å; W716-K720 HydrophobicContact CZ2-CG 4.24Å; W716-K720 WeakPolarHBondContact O-CG 3.45Å; W716-K720 PolarHBondContact O-N 3.41Å; R718-K720 PolarHBondContact O-N 2.59Å; K720-R722 PolarHBondContact O-N 2.89Å; K720-F723 WeakPolarHBondContact O-CB 3.4Å; K720-F723 PolarHBondContact O-N 2.9Å |
| 721 | N | 93.3 | Very high | 90.2 | Very high | 49 Ų | 49 | 32.8 Ų | 32.8 | 26% | 0.262 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.7 | -22.7 | 176.8 | -170.9 | 64.3 | 0 | 0 | 0 | 113.8 | V696 A717 R718 F719 F723 S724 | V696-N721 WeakPolarHBondContact CG1-O 3.25Å; A717-N721 WeakPolarHBondContact O-CB 3.42Å; A717-N721 PolarHBondContact O-N 3.1Å; R718-N721 WeakPolarHBondContact O-CB 3.42Å; R718-N721 PolarHBondContact O-N 3.1Å; R718-N721 VanDerWaalsContact O-N 3.07Å; F719-N721 VanDerWaalsContact C-N 3.32Å; F719-N721 PolarHBondContact O-N 2.98Å; N721-F723 PolarHBondContact O-N 3.08Å; N721-S724 VanDerWaalsContact O-CB 3.26Å; N721-S724 WeakPolarHBondContact O-CB 3.48Å; N721-S724 PolarHBondContact O-N 3.47Å; N721-S724 PolarHBondContact O-OG 3.15Å |
| 722 | R | 95.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -55.1 | -32.8 | 171.8 | -61.4 | 178.7 | 177.2 | -170.3 | 1 | 112.8 | V644 D693 L707 H709 S711 F712 R718 F719 K720 S724 L725 | V644-R722 HydrophobicContact CB-CG 4.33Å; V644-R722 HydrophobicContact CG1-CG 4.08Å; V644-R722 VanDerWaalsContact CG1-NE 3.33Å; V644-R722 HydrophobicContact CG2-CB 4.39Å; V644-R722 HydrophobicContact CG2-CG 4.15Å; V644-R722 PolarHBondContact O-NH1 3.4Å; D693-R722 VanDerWaalsContact OD1-CG 3.29Å; D693-R722 WeakPolarHBondContact OD1-CG 3.22Å; D693-R722 IonicContact OD1-CZ 3.08Å; D693-R722 IonicContact OD1-NE 3.04Å; D693-R722 PolarHBondContact OD1-NE 3.09Å; D693-R722 IonicContact OD1-NH2 3.48Å; D693-R722 IonicContact OD2-CZ 2.56Å; D693-R722 IonicContact OD2-NE 3.02Å; D693-R722 PolarHBondContact OD2-NE 3.02Å; D693-R722 IonicContact OD2-NH2 3.22Å; D693-R722 PolarHBondContact OD2-NH2 2.86Å; L707-R722 HydrophobicContact CD2-CB 4.31Å; L707-R722 WeakPolarHBondContact CD2-O 3.22Å; H709-R722 WeakPolarHBondContact ND1-CD 3.38Å; S711-R722 PolarHBondContact O-NH1 3.36Å; S711-R722 PolarHBondContact O-NH2 2.86Å; S711-R722 VanDerWaalsContact O-NH2 3.17Å; F712-R722 PolarHBondContact O-NH2 3.29Å; R718-R722 PolarHBondContact O-N 2.91Å; F719-R722 VanDerWaalsContact O-CB 3.28Å; F719-R722 WeakPolarHBondContact O-CB 3.44Å; F719-R722 WeakPolarHBondContact O-CG 3.46Å; F719-R722 PolarHBondContact O-N 3.2Å; K720-R722 PolarHBondContact O-N 2.89Å; R722-S724 PolarHBondContact O-N 2.93Å; R722-L725 WeakPolarHBondContact O-CG 3.38Å; R722-L725 PolarHBondContact O-N 3.38Å |
| 723 | F | 94.6 | Very high | 87.1 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 1% | 0.013 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -70.1 | -11.7 | 178.7 | -69.1 | -96.5 | 0 | 0 | 0 | 113.7 | A600 L601 L611 H709 F719 K720 N721 L725 F726 S741 | A600-F723 HydrophobicContact CB-CB 4.08Å; A600-F723 WeakPolarHBondContact O-CB 3.48Å; L601-F723 HydrophobicContact CB-CD2 4.19Å; L601-F723 HydrophobicContact CB-CG 4.35Å; L601-F723 HydrophobicContact CD1-CD1 3.9Å; L601-F723 HydrophobicContact CD1-CD2 3.97Å; L601-F723 HydrophobicContact CD1-CE1 3.7Å; L601-F723 HydrophobicContact CD1-CE2 3.78Å; L601-F723 HydrophobicContact CD1-CG 4.04Å; L601-F723 HydrophobicContact CD1-CZ 3.65Å; L611-F723 HydrophobicContact CD1-CZ 4.28Å; H709-F723 AromaticContact CE1-CE2 3.39Å; H709-F723 WeakPolarHBondContact CE1-CE2 3.4Å; H709-F723 AromaticContact CE1-CZ 3.68Å; H709-F723 AromaticContact NE2-CE2 3.95Å; H709-F723 AromaticContact NE2-CZ 3.78Å; F719-F723 HydrophobicContact CD1-CE2 4.36Å; F719-F723 AromaticContact CE1-CE2 3.81Å; F719-F723 HydrophobicContact CE1-CE2 3.81Å; F719-F723 HydrophobicContact CE1-CZ 4.45Å; F719-F723 HydrophobicContact CZ-CE2 4.08Å; F719-F723 HydrophobicContact CZ-CZ 4.47Å; K720-F723 WeakPolarHBondContact O-CB 3.4Å; K720-F723 PolarHBondContact O-N 2.9Å; N721-F723 PolarHBondContact O-N 3.08Å; F723-L725 PolarHBondContact O-N 2.93Å; F723-L725 VanDerWaalsContact O-N 3.14Å; F723-F726 HydrophobicContact CB-CD2 4.4Å; F723-F726 HydrophobicContact CD1-CD2 4.04Å; F723-F726 AromaticContact CD1-CE2 3.9Å; F723-F726 HydrophobicContact CD1-CE2 3.9Å; F723-F726 HydrophobicContact CE1-CE2 4.4Å; F723-F726 WeakPolarHBondContact O-CB 3.23Å; F723-F726 PolarHBondContact O-N 3.32Å; F723-S741 WeakPolarHBondContact CE1-OG 3.45Å; F723-S741 WeakPolarHBondContact CZ-OG 3.46Å |
| 724 | S | 93.4 | Very high | 85.2 | Confident | 19 Ų | 19 | 43.1 Ų | 43.1 | 13% | 0.133 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -62.4 | -20.8 | 175.6 | 64 | 0 | 0 | 0 | 0 | 112.9 | N721 R722 F726 Y727 | N721-S724 VanDerWaalsContact O-CB 3.26Å; N721-S724 WeakPolarHBondContact O-CB 3.48Å; N721-S724 PolarHBondContact O-N 3.47Å; N721-S724 PolarHBondContact O-OG 3.15Å; R722-S724 PolarHBondContact O-N 2.93Å; S724-F726 PolarHBondContact O-N 3.5Å; S724-Y727 WeakPolarHBondContact O-CB 3.29Å; S724-Y727 PolarHBondContact O-N 3.3Å |
| 725 | L | 92.8 | Very high | 83.6 | Confident | 9 Ų | 9 | 43.5 Ų | 43.5 | 5% | 0.047 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -61 | -27.4 | 173.5 | -59.4 | 174.4 | 0 | 0 | 0 | 112.4 | V642 V696 L699 I704 L707 R722 F723 Y727 | V642-L725 HydrophobicContact CB-CD1 4.41Å; V642-L725 HydrophobicContact CG1-CD1 3.91Å; V696-L725 HydrophobicContact CG1-CG 4.49Å; L699-L725 HydrophobicContact CB-CD2 4.04Å; L699-L725 HydrophobicContact CD2-CD2 3.91Å; L699-L725 HydrophobicContact CG-CD2 4.37Å; I704-L725 HydrophobicContact CD1-CB 3.58Å; I704-L725 HydrophobicContact CD1-CD1 4.5Å; I704-L725 HydrophobicContact CG1-CB 4.17Å; L707-L725 HydrophobicContact CD1-CD1 3.71Å; R722-L725 WeakPolarHBondContact O-CG 3.38Å; R722-L725 PolarHBondContact O-N 3.38Å; F723-L725 PolarHBondContact O-N 2.93Å; F723-L725 VanDerWaalsContact O-N 3.14Å; L725-Y727 VanDerWaalsContact C-N 3.29Å; L725-Y727 PolarHBondContact O-N 3.04Å |
| 726 | F | 91.3 | Very high | 81.9 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -75.7 | -9.1 | 174.5 | -65.3 | -63.9 | 0 | 0 | 0 | 114.3 | V609 I704 L707 F723 S724 A728 N729 L730 Q740 | V609-F726 HydrophobicContact CG1-CD2 4.01Å; V609-F726 HydrophobicContact CG1-CE1 4.18Å; V609-F726 HydrophobicContact CG1-CE2 3.63Å; V609-F726 HydrophobicContact CG1-CG 4.44Å; V609-F726 HydrophobicContact CG1-CZ 3.71Å; V609-F726 HydrophobicContact CG2-CB 4.29Å; V609-F726 HydrophobicContact CG2-CD1 4.31Å; V609-F726 HydrophobicContact CG2-CD2 4.17Å; V609-F726 HydrophobicContact CG2-CG 4.02Å; I704-F726 HydrophobicContact CD1-CD1 4.21Å; I704-F726 HydrophobicContact CD1-CE1 4.08Å; I704-F726 HydrophobicContact CG1-CD1 4.21Å; I704-F726 HydrophobicContact CG1-CE1 4.38Å; I704-F726 WeakPolarHBondContact O-CE1 3.29Å; L707-F726 HydrophobicContact CB-CE1 4.28Å; L707-F726 HydrophobicContact CB-CE2 3.85Å; L707-F726 HydrophobicContact CB-CZ 3.44Å; L707-F726 VanDerWaalsContact CB-CZ 3.44Å; L707-F726 HydrophobicContact CD2-CD2 4.37Å; L707-F726 HydrophobicContact CD2-CE2 3.65Å; L707-F726 HydrophobicContact CD2-CZ 4.16Å; L707-F726 HydrophobicContact CG-CE2 4.42Å; L707-F726 HydrophobicContact CG-CZ 4.46Å; F723-F726 HydrophobicContact CB-CD2 4.4Å; F723-F726 HydrophobicContact CD1-CD2 4.04Å; F723-F726 AromaticContact CD1-CE2 3.9Å; F723-F726 HydrophobicContact CD1-CE2 3.9Å; F723-F726 HydrophobicContact CE1-CE2 4.4Å; F723-F726 WeakPolarHBondContact O-CB 3.23Å; F723-F726 PolarHBondContact O-N 3.32Å; S724-F726 PolarHBondContact O-N 3.5Å; F726-A728 PolarHBondContact O-N 3.05Å; F726-N729 WeakPolarHBondContact O-CB 3.48Å; F726-N729 PolarHBondContact O-N 2.91Å; F726-L730 PolarHBondContact O-N 3.31Å; F726-Q740 WeakPolarHBondContact CZ-O 3.38Å |
| 727 | Y | 90.1 | Very high | 80.3 | Confident | 11 Ų | 11 | 43.2 Ų | 43.2 | 4% | 0.043 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -58 | -23.5 | -178.1 | -73 | -3.5 | 0 | 0 | 0 | 114 | N353 G356 L358 A600 A603 S724 L725 L730 | N353-Y727 HydrophobicContact CB-CD2 4.01Å; N353-Y727 HydrophobicContact CB-CG 4.34Å; G356-Y727 VanDerWaalsContact O-CE2 3.31Å; G356-Y727 WeakPolarHBondContact O-CE2 3.42Å; G356-Y727 PolarHBondContact O-OH 3.46Å; L358-Y727 HydrophobicContact CB-CD1 4Å; L358-Y727 HydrophobicContact CB-CE1 3.74Å; L358-Y727 HydrophobicContact CB-CE2 4.29Å; L358-Y727 HydrophobicContact CB-CG 4.37Å; L358-Y727 HydrophobicContact CD1-CD1 4.03Å; L358-Y727 HydrophobicContact CD1-CG 4.03Å; L358-Y727 HydrophobicContact CG-CD1 4.42Å; A600-Y727 HydrophobicContact CB-CE1 3.68Å; A600-Y727 WeakPolarHBondContact CB-OH 3.46Å; A603-Y727 HydrophobicContact CB-CE1 3.92Å; S724-Y727 WeakPolarHBondContact O-CB 3.29Å; S724-Y727 PolarHBondContact O-N 3.3Å; L725-Y727 VanDerWaalsContact C-N 3.29Å; L725-Y727 PolarHBondContact O-N 3.04Å; Y727-L730 HydrophobicContact CD1-CD1 4.38Å |
| 728 | A | 86.4 | Confident | 79.6 | Confident | 22 Ų | 22 | 40.8 Ų | 40.8 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -76 | -34.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G702 K703 F726 L730 K731 | G702-A728 WeakPolarHBondContact O-CB 3.49Å; K703-A728 WeakPolarHBondContact CE-O 3.28Å; K703-A728 HydrophobicContact CG-CB 4.27Å; F726-A728 PolarHBondContact O-N 3.05Å; A728-L730 VanDerWaalsContact C-N 3.3Å; A728-K731 WeakPolarHBondContact O-CB 3.16Å; A728-K731 PolarHBondContact O-N 3.03Å |
| 729 | N | 85.1 | Confident | 79.3 | Confident | 11 Ų | 11 | 38 Ų | 38 | 6% | 0.059 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -64.3 | -41.8 | 177.7 | -52.6 | 26.5 | 0 | 0 | 0 | 109.5 | K703 I704 F726 K731 S732 V738 | K703-N729 VanDerWaalsContact CA-OD1 3.24Å; K703-N729 WeakPolarHBondContact CA-OD1 3.29Å; I704-N729 PolarHBondContact N-OD1 3.07Å; I704-N729 PolarHBondContact O-ND2 2.88Å; F726-N729 WeakPolarHBondContact O-CB 3.48Å; F726-N729 PolarHBondContact O-N 2.91Å; N729-K731 PolarHBondContact O-N 3.42Å; N729-S732 PolarHBondContact O-N 2.82Å; N729-V738 HydrophobicContact CB-CG1 3.45Å; N729-V738 VanDerWaalsContact CB-CG1 3.45Å; N729-V738 PolarHBondContact ND2-O 2.83Å |
| 730 | L | 79.8 | Confident | 79.1 | Confident | 17 Ų | 17 | 40.6 Ų | 40.6 | 9% | 0.089 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -65.4 | -1.1 | 179.7 | -58.7 | 170.2 | 0 | 0 | 0 | 114.6 | T351 L358 F726 Y727 A728 V738 | T351-L730 PolarHBondContact OG1-O 3.42Å; L358-L730 HydrophobicContact CD1-CB 4.21Å; L358-L730 HydrophobicContact CD1-CD1 4.33Å; L358-L730 HydrophobicContact CD2-CB 4.31Å; L358-L730 HydrophobicContact CD2-CD1 3.54Å; L358-L730 HydrophobicContact CD2-CG 4.5Å; F726-L730 PolarHBondContact O-N 3.31Å; Y727-L730 HydrophobicContact CD1-CD1 4.38Å; A728-L730 VanDerWaalsContact C-N 3.3Å; L730-V738 HydrophobicContact CD2-CG1 3.81Å; L730-V738 HydrophobicContact CG-CG1 4.41Å |
| 731 | K | 73.4 | Confident | 79.1 | Confident | 92 Ų | 92 | 39.7 Ų | 39.7 | 40% | 0.4 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -87 | -9.6 | 172.6 | -59.6 | -155.7 | 174.3 | -165.6 | 0 | 114.9 | T351 N353 A728 N729 | T351-K731 HydrophobicContact CG2-CG 3.96Å; T351-K731 WeakPolarHBondContact O-CE 3.35Å; N353-K731 WeakPolarHBondContact OD1-CE 3.42Å; N353-K731 PolarHBondContact OD1-NZ 3.08Å; A728-K731 WeakPolarHBondContact O-CB 3.16Å; A728-K731 PolarHBondContact O-N 3.03Å; N729-K731 PolarHBondContact O-N 3.42Å |
| 732 | S | 60.7 | Low | 79.2 | Confident | 49 Ų | 49 | 37.3 Ų | 37.3 | 34% | 0.343 | 21% | 0.214 | S | C | . | . | trans | -149.6 | 88 | 176.7 | -23 | 0 | 0 | 0 | 0 | 110.1 | K703 N729 T734 | K703-S732 VanDerWaalsContact NZ-CB 3.28Å; K703-S732 PolarHBondContact NZ-OG 2.81Å; N729-S732 PolarHBondContact O-N 2.82Å; S732-T734 PolarHBondContact O-N 3.05Å | ||
| 733 | P | 57.5 | Low | 79.2 | Confident | 81 Ų | 81 | 37.3 Ų | 37.3 | 53% | 0.526 | 21% | 0.214 | S | C | . | . | trans | -80 | 38.3 | -175.7 | 35.2 | -37.7 | 0 | 0 | 0 | 112.7 | T735 | P733-T735 VanDerWaalsContact C-N 3.32Å; P733-T735 PolarHBondContact O-N 3.21Å | ||
| 734 | T | 52.2 | Low | 79.2 | Confident | 122 Ų | 122 | 37.2 Ų | 37.2 | 75% | 0.748 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -74 | -20.8 | -174.4 | 46 | 0 | 0 | 0 | 0 | 113.6 | S732 | S732-T734 PolarHBondContact O-N 3.05Š|
| 735 | T | 52.4 | Low | 79.3 | Confident | 112 Ų | 112 | 36.3 Ų | 36.3 | 69% | 0.687 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -140.1 | 152 | 171.3 | 44.3 | 0 | 0 | 0 | 0 | 109.3 | P733 | P733-T735 VanDerWaalsContact C-N 3.32Å; P733-T735 PolarHBondContact O-N 3.21Å |
| 736 | R | 56.9 | Low | 79.2 | Confident | 85 Ų | 85 | 38.4 Ų | 38.4 | 32% | 0.321 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -131.7 | 152.7 | 173.1 | -62.7 | -166.6 | -173.8 | -166.7 | 6.8 | 109.1 | V342 P344 V738 | V342-R736 PolarHBondContact O-NH1 3.23Å; P344-R736 PolarHBondContact O-NH2 2.89Å; R736-V738 HydrophobicContact CG-CG2 4.13Å |
| 737 | P | 57.3 | Low | 79.2 | Confident | 72 Ų | 72 | 40.3 Ų | 40.3 | 47% | 0.468 | 23% | 0.228 | S | C | . | . | cis | -64.5 | 156.2 | 1.7 | 29 | -36.6 | 0 | 0 | 0 | 113 | Q610 | Q610-P737 HydrophobicContact CG-CB 4.16Š| ||
| 738 | V | 77.3 | Confident | 79.2 | Confident | 18 Ų | 18 | 44.3 Ų | 44.3 | 11% | 0.109 | 25% | 0.254 | C | S | . | . | trans | -85.6 | -15.2 | -175 | 177.4 | 0 | 0 | 0 | 0 | 112.3 | G607 N729 L730 R736 | G607-V738 WeakPolarHBondContact O-CB 3.4Å; G607-V738 WeakPolarHBondContact O-CG2 3.39Å; N729-V738 HydrophobicContact CB-CG1 3.45Å; N729-V738 VanDerWaalsContact CB-CG1 3.45Å; N729-V738 PolarHBondContact ND2-O 2.83Å; L730-V738 HydrophobicContact CD2-CG1 3.81Å; L730-V738 HydrophobicContact CG-CG1 4.41Å; R736-V738 HydrophobicContact CG-CG2 4.13Å | ||
| 739 | G | 86.8 | Confident | 79.4 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 7% | 0.072 | 26% | 0.255 | C | S | . | . | trans | 168.5 | 177.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V609 Q610 P705 | V609-G739 CarbonylContact C-O 3.24Å; V609-G739 WeakPolarHBondContact CA-O 3.45Å; Q610-G739 PolarHBondContact N-O 3.42Å; P705-G739 CarbonylContact O-C 3.53Å; P705-G739 VanDerWaalsContact O-CA 3.28Å; P705-G739 WeakPolarHBondContact O-CA 3.35Å | ||
| 740 | Q | 90.8 | Very high | 79.7 | Confident | 54 Ų | 54 | 45.6 Ų | 45.6 | 25% | 0.252 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 136.3 | 175.3 | -172.4 | -175.2 | 15.4 | 0 | 0 | 110 | Q610 P705 L706 L707 F726 V742 | Q610-Q740 HydrophobicContact CB-CG 4.35Å; P705-Q740 PolarHBondContact O-N 3.12Å; L706-Q740 WeakPolarHBondContact CA-O 3.44Å; L706-Q740 HydrophobicContact CD1-CB 4.09Å; L706-Q740 HydrophobicContact CD1-CG 4.24Å; L706-Q740 WeakPolarHBondContact CD1-O 3.37Å; L707-Q740 PolarHBondContact N-O 3.32Å; F726-Q740 WeakPolarHBondContact CZ-O 3.38Å; Q740-V742 HydrophobicContact CG-CG2 4.09Å |
| 741 | S | 94.3 | Very high | 80.3 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 128.8 | 166 | 171.1 | 0 | 0 | 0 | 0 | 108.7 | Q610 D612 L707 H709 F723 | Q610-S741 PolarHBondContact O-N 2.65Å; D612-S741 PolarHBondContact N-O 3.42Å; L707-S741 CarbonylContact O-C 3.58Å; L707-S741 WeakPolarHBondContact O-CA 3.5Å; H709-S741 PolarHBondContact CD2-OG 3.05Å; H709-S741 PolarHBondContact NE2-OG 3.41Å; F723-S741 WeakPolarHBondContact CE1-OG 3.45Å; F723-S741 WeakPolarHBondContact CZ-OG 3.46Å |
| 742 | V | 94.9 | Very high | 81.2 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 123.4 | 174.1 | -176 | 0 | 0 | 0 | 0 | 108.8 | D612 R614 L629 L706 L707 I708 H709 Q740 F744 | D612-V742 HydrophobicContact CB-CG1 4.43Å; D612-V742 HydrophobicContact CB-CG2 4.13Å; D612-V742 CarbonylContact O-C 3.59Å; D612-V742 WeakPolarHBondContact O-CA 3.39Å; R614-V742 HydrophobicContact CG-CG1 4.37Å; L629-V742 HydrophobicContact CD1-CG1 4.06Å; L629-V742 HydrophobicContact CD2-CG2 4.18Å; L706-V742 HydrophobicContact CD1-CG2 3.79Å; L707-V742 PolarHBondContact O-N 3.47Å; I708-V742 CarbonylContact C-O 3.58Å; I708-V742 WeakPolarHBondContact CA-O 3.39Å; H709-V742 PolarHBondContact N-O 3.48Å; Q740-V742 HydrophobicContact CG-CG2 4.09Å; V742-F744 HydrophobicContact CG1-CD1 4.27Å; V742-F744 HydrophobicContact CG1-CE1 3.96Å |
| 743 | V | 95.6 | Very high | 82.9 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 125.3 | -179.3 | -175 | 0 | 0 | 0 | 0 | 110.1 | L611 D612 V613 R614 H709 F712 F719 L756 | L611-V743 HydrophobicContact CD1-CG2 3.99Å; D612-V743 PolarHBondContact O-N 3.31Å; V613-V743 HydrophobicContact CG1-CB 4.46Å; V613-V743 HydrophobicContact CG2-CB 4.27Å; V613-V743 HydrophobicContact CG2-CG2 4.48Å; R614-V743 PolarHBondContact N-O 3.09Å; H709-V743 HydrophobicContact CB-CB 4.4Å; H709-V743 HydrophobicContact CB-CG1 4.26Å; H709-V743 HydrophobicContact CB-CG2 4.22Å; F712-V743 HydrophobicContact CE1-CG1 3.85Å; F712-V743 HydrophobicContact CZ-CG1 3.81Å; F719-V743 HydrophobicContact CE2-CG1 4.22Å; F719-V743 HydrophobicContact CE2-CG2 4.23Å; F719-V743 HydrophobicContact CZ-CG1 4.47Å; F719-V743 HydrophobicContact CZ-CG2 3.94Å; V743-L756 HydrophobicContact CG1-CD1 4.49Å |
| 744 | F | 95.1 | Very high | 84.6 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 117.7 | 167.3 | -64.8 | -9.2 | 0 | 0 | 0 | 108.6 | R614 K622 H625 L626 L629 H709 Y710 V742 | R614-F744 HydrophobicContact CB-CD1 4.25Å; R614-F744 WeakPolarHBondContact O-CA 3.35Å; K622-F744 HydrophobicContact CB-CD2 4.12Å; K622-F744 HydrophobicContact CB-CE2 4.26Å; K622-F744 HydrophobicContact CD-CB 4.46Å; K622-F744 HydrophobicContact CD-CD2 4.07Å; K622-F744 HydrophobicContact CG-CD2 3.96Å; H625-F744 HydrophobicContact CB-CE1 4.3Å; H625-F744 HydrophobicContact CB-CZ 4.05Å; L626-F744 HydrophobicContact CB-CE2 4.27Å; L626-F744 HydrophobicContact CB-CZ 4.33Å; L629-F744 HydrophobicContact CD1-CE1 3.94Å; L629-F744 HydrophobicContact CD1-CZ 3.87Å; H709-F744 PolarHBondContact O-N 3.32Å; Y710-F744 AromaticContact CD2-CD2 3.97Å; Y710-F744 HydrophobicContact CD2-CD2 3.97Å; Y710-F744 HydrophobicContact CD2-CE2 4.1Å; Y710-F744 HydrophobicContact CE2-CD2 4.31Å; Y710-F744 HydrophobicContact CE2-CE2 4.33Å; V742-F744 HydrophobicContact CG1-CD1 4.27Å; V742-F744 HydrophobicContact CG1-CE1 3.96Å |
| 745 | A | 93.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 138 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | V613 R614 V615 V616 F712 I753 | V613-A745 HydrophobicContact CG1-CB 4.34Å; R614-A745 PolarHBondContact O-N 2.89Å; V615-A745 CarbonylContact C-O 3.58Å; V615-A745 VanDerWaalsContact CA-O 3.26Å; V615-A745 WeakPolarHBondContact CA-O 3.45Å; V616-A745 PolarHBondContact N-O 3.41Å; F712-A745 HydrophobicContact CE2-CB 3.54Å; F712-A745 HydrophobicContact CZ-CB 3.89Å; A745-I753 HydrophobicContact CB-CG1 4.4Å |
| 746 | K | 91.9 | Very high | 88.6 | Confident | 53 Ų | 53 | 31.5 Ų | 31.5 | 23% | 0.23 | 16% | 0.163 | C | C | . | . | trans | -88.6 | 151.5 | 171.4 | -58 | -157.8 | 176.1 | -150.3 | 0 | 110.6 | V616 A617 E619 T748 D749 I753 | V616-K746 WeakPolarHBondContact O-CA 3Å; A617-K746 PolarHBondContact O-NZ 3.09Å; E619-K746 WeakPolarHBondContact OE1-CE 3.48Å; E619-K746 IonicContact OE1-NZ 3.66Å; E619-K746 PolarHBondContact OE1-NZ 3.44Å; K746-T748 WeakPolarHBondContact CB-OG1 3.4Å; K746-T748 PolarHBondContact O-N 3.27Å; K746-D749 WeakPolarHBondContact CB-OD2 3.39Å; K746-D749 PolarHBondContact N-OD2 3.01Å; K746-D749 WeakPolarHBondContact O-CB 3.07Å; K746-D749 PolarHBondContact O-N 2.98Å; K746-I753 WeakPolarHBondContact O-CD1 3.16Å | ||
| 747 | P | 91 | Very high | 90.4 | Very high | 40 Ų | 40 | 27.4 Ų | 27.4 | 26% | 0.26 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -6.6 | 170.4 | -23.8 | 33.8 | 0 | 0 | 0 | 115 | V615 A617 R778 | V615-P747 HydrophobicContact CG1-CG 3.78Å; A617-P747 HydrophobicContact CB-CG 4.48Å; P747-R778 PolarHBondContact O-NE 3.3Å; P747-R778 PolarHBondContact O-NH2 2.98Å |
| 748 | T | 90.2 | Very high | 92.1 | Very high | 94 Ų | 94 | 25.5 Ų | 25.5 | 58% | 0.577 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -11.4 | 173.1 | 47.1 | 0 | 0 | 0 | 0 | 113.8 | K746 V750 | K746-T748 WeakPolarHBondContact CB-OG1 3.4Å; K746-T748 PolarHBondContact O-N 3.27Å; T748-V750 PolarHBondContact O-N 3.1Å |
| 749 | D | 90.9 | Very high | 92.8 | Very high | 41 Ų | 41 | 25.1 Ų | 25.1 | 22% | 0.219 | 13% | 0.131 | C | C | . | . | trans | -77 | 35.5 | -179.2 | -74.4 | -56.5 | 0 | 0 | 0 | 113.4 | F712 K746 E751 N752 I753 | F712-D749 HydrophobicContact CD2-CB 3.76Å; F712-D749 WeakPolarHBondContact CD2-OD2 3.27Å; F712-D749 HydrophobicContact CE2-CB 3.61Å; K746-D749 WeakPolarHBondContact CB-OD2 3.39Å; K746-D749 PolarHBondContact N-OD2 3.01Å; K746-D749 WeakPolarHBondContact O-CB 3.07Å; K746-D749 PolarHBondContact O-N 2.98Å; D749-E751 VanDerWaalsContact C-N 3.26Å; D749-E751 PolarHBondContact O-N 3.15Å; D749-E751 VanDerWaalsContact O-N 3.08Å; D749-N752 PolarHBondContact O-N 3.12Å; D749-I753 HydrophobicContact CB-CD1 4.28Å; D749-I753 HydrophobicContact CB-CG1 4.26Å; D749-I753 WeakPolarHBondContact O-CG1 3.33Å; D749-I753 PolarHBondContact O-N 3.49Å | ||
| 750 | V | 91.1 | Very high | 93 | Very high | 19 Ų | 19 | 25.5 Ų | 25.5 | 12% | 0.115 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -47.5 | -45.6 | -169.5 | -171.1 | 0 | 0 | 0 | 0 | 112.6 | T748 N752 I753 W754 L775 R778 | T748-V750 PolarHBondContact O-N 3.1Å; V750-N752 VanDerWaalsContact C-N 3.32Å; V750-N752 PolarHBondContact O-N 3.48Å; V750-I753 PolarHBondContact O-N 3.14Å; V750-W754 WeakPolarHBondContact O-CB 3.44Å; V750-W754 PolarHBondContact O-N 2.97Å; V750-L775 HydrophobicContact CG1-CD2 3.77Å; V750-R778 HydrophobicContact CG1-CB 4.32Å; V750-R778 HydrophobicContact CG2-CB 4.12Å; V750-R778 HydrophobicContact CG2-CG 3.69Å |
| 751 | E | 91.9 | Very high | 92.8 | Very high | 86 Ų | 86 | 23.6 Ų | 23.6 | 40% | 0.402 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -63.5 | -32.1 | -179.7 | 178.3 | 59.1 | -161.4 | 0 | 0 | 113.8 | D749 K755 H806 | D749-E751 VanDerWaalsContact C-N 3.26Å; D749-E751 PolarHBondContact O-N 3.15Å; D749-E751 VanDerWaalsContact O-N 3.08Å; E751-K755 VanDerWaalsContact O-CD 3.29Å; E751-K755 WeakPolarHBondContact O-CD 3.25Å; E751-K755 WeakPolarHBondContact O-CE 3.48Å; E751-K755 WeakPolarHBondContact O-CG 3.3Å; E751-K755 WeakPolarHBondContact OE1-CE 3.42Å; E751-K755 IonicContact OE1-NZ 2.81Å; E751-K755 PolarHBondContact OE1-NZ 2.76Å; E751-H806 IonicContact OE1-CE1 3.21Å; E751-H806 IonicContact OE1-NE2 2.7Å; E751-H806 PolarHBondContact OE1-NE2 2.81Å; E751-H806 IonicContact OE2-CD2 3.73Å; E751-H806 IonicContact OE2-CE1 3.59Å; E751-H806 IonicContact OE2-NE2 3.07Å; E751-H806 PolarHBondContact OE2-NE2 3.02Å |
| 752 | N | 93.1 | Very high | 92.4 | Very high | 22 Ų | 22 | 27.8 Ų | 27.8 | 12% | 0.118 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -92 | -34.2 | 178.4 | -69.1 | -44.1 | 0 | 0 | 0 | 111.8 | F712 D749 V750 W754 K755 L756 | F712-N752 HydrophobicContact CD1-CB 3.67Å; F712-N752 HydrophobicContact CD2-CB 4.02Å; F712-N752 HydrophobicContact CE1-CB 3.66Å; F712-N752 HydrophobicContact CE2-CB 3.97Å; F712-N752 HydrophobicContact CG-CB 3.86Å; F712-N752 HydrophobicContact CZ-CB 3.8Å; D749-N752 PolarHBondContact O-N 3.12Å; V750-N752 VanDerWaalsContact C-N 3.32Å; V750-N752 PolarHBondContact O-N 3.48Å; N752-W754 VanDerWaalsContact C-N 3.3Å; N752-W754 PolarHBondContact O-N 3.5Å; N752-K755 PolarHBondContact O-N 3.18Å; N752-L756 PolarHBondContact O-N 2.67Å |
| 753 | I | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.3 | -41.3 | 170.5 | -67.8 | 174.1 | 0 | 0 | 0 | 110.2 | A745 K746 D749 V750 K755 L756 C757 L771 I774 L775 | A745-I753 HydrophobicContact CB-CG1 4.4Å; K746-I753 WeakPolarHBondContact O-CD1 3.16Å; D749-I753 HydrophobicContact CB-CD1 4.28Å; D749-I753 HydrophobicContact CB-CG1 4.26Å; D749-I753 WeakPolarHBondContact O-CG1 3.33Å; D749-I753 PolarHBondContact O-N 3.49Å; V750-I753 PolarHBondContact O-N 3.14Å; I753-K755 PolarHBondContact O-N 2.79Å; I753-L756 PolarHBondContact O-N 2.91Å; I753-C757 PolarHBondContact O-N 3.17Å; I753-C757 PolarHBondContact O-SG 3.05Å; I753-L771 HydrophobicContact CG2-CB 3.94Å; I753-L771 HydrophobicContact CG2-CD2 4.28Å; I753-I774 HydrophobicContact CD1-CD1 4.47Å; I753-I774 HydrophobicContact CD1-CG2 4.18Å; I753-L775 HydrophobicContact CB-CD2 4.27Å; I753-L775 HydrophobicContact CG2-CD1 4.35Å; I753-L775 HydrophobicContact CG2-CD2 3.95Å; I753-L775 HydrophobicContact CG2-CG 3.99Å |
| 754 | W | 94.7 | Very high | 91.3 | Very high | 26 Ų | 26 | 33.5 Ų | 33.5 | 10% | 0.098 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.6 | -45.1 | 175.6 | -166.6 | 95.1 | 0 | 0 | 0 | 111.7 | V750 N752 L756 C757 D758 L775 L804 H806 L960 | V750-W754 WeakPolarHBondContact O-CB 3.44Å; V750-W754 PolarHBondContact O-N 2.97Å; N752-W754 VanDerWaalsContact C-N 3.3Å; N752-W754 PolarHBondContact O-N 3.5Å; W754-L756 PolarHBondContact O-N 2.79Å; W754-C757 PolarHBondContact O-N 2.87Å; W754-D758 HydrophobicContact CE3-CB 4.09Å; W754-D758 HydrophobicContact CH2-CB 4.23Å; W754-D758 HydrophobicContact CZ3-CB 3.79Å; W754-D758 WeakPolarHBondContact O-CB 3.45Å; W754-D758 PolarHBondContact O-N 2.88Å; W754-L775 HydrophobicContact CB-CD1 4.28Å; W754-L775 HydrophobicContact CB-CD2 3.92Å; W754-L775 HydrophobicContact CG-CD1 4.42Å; W754-L804 PolarHBondContact NE1-O 3.29Å; W754-H806 HydrophobicContact CD2-CB 4.11Å; W754-H806 AromaticContact CD2-CD2 3.67Å; W754-H806 HydrophobicContact CE3-CB 4.48Å; W754-H806 AromaticContact CE3-CD2 3.78Å; W754-H806 AromaticContact CG-CD2 3.93Å; W754-H806 HydrophobicContact CH2-CB 4.19Å; W754-H806 HydrophobicContact CZ2-CB 3.76Å; W754-L960 HydrophobicContact CD2-CD1 3.95Å; W754-L960 HydrophobicContact CG-CD1 4.27Å; W754-L960 HydrophobicContact CH2-CD1 4.45Å; W754-L960 HydrophobicContact CZ2-CB 3.91Å; W754-L960 HydrophobicContact CZ2-CD1 3.83Å; W754-L960 HydrophobicContact CZ2-CG 4.48Å |
| 755 | K | 94.1 | Very high | 90.8 | Very high | 43 Ų | 43 | 34.2 Ų | 34.2 | 19% | 0.187 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.8 | -34.5 | 177.6 | -69.6 | 165.4 | -172.2 | 154.5 | 0 | 113.1 | W716 E751 N752 I753 F759 | W716-K755 HydrophobicContact CB-CD 3.99Å; W716-K755 HydrophobicContact CD2-CB 4.01Å; W716-K755 HydrophobicContact CD2-CD 3.82Å; W716-K755 HydrophobicContact CD2-CG 4.4Å; W716-K755 HydrophobicContact CE3-CB 3.97Å; W716-K755 HydrophobicContact CE3-CD 4.02Å; W716-K755 HydrophobicContact CG-CD 3.81Å; W716-K755 HydrophobicContact CH2-CB 3.94Å; W716-K755 HydrophobicContact CZ2-CB 3.95Å; W716-K755 HydrophobicContact CZ3-CB 3.93Å; E751-K755 VanDerWaalsContact O-CD 3.29Å; E751-K755 WeakPolarHBondContact O-CD 3.25Å; E751-K755 WeakPolarHBondContact O-CE 3.48Å; E751-K755 WeakPolarHBondContact O-CG 3.3Å; E751-K755 WeakPolarHBondContact OE1-CE 3.42Å; E751-K755 IonicContact OE1-NZ 2.81Å; E751-K755 PolarHBondContact OE1-NZ 2.76Å; N752-K755 PolarHBondContact O-N 3.18Å; I753-K755 PolarHBondContact O-N 2.79Å; K755-F759 VanDerWaalsContact O-CB 3.27Å; K755-F759 WeakPolarHBondContact O-CB 3.31Å; K755-F759 PolarHBondContact O-N 2.7Å |
| 756 | L | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.3 | -46.2 | 170.9 | -76.6 | 171.6 | 0 | 0 | 0 | 111.4 | V613 F712 W716 F719 V743 N752 I753 W754 D758 F759 Y760 | V613-L756 HydrophobicContact CG1-CD1 4.11Å; V613-L756 HydrophobicContact CG2-CD1 4.17Å; F712-L756 HydrophobicContact CE1-CD1 3.81Å; F712-L756 HydrophobicContact CZ-CD1 3.65Å; W716-L756 HydrophobicContact CH2-CD2 4.06Å; W716-L756 HydrophobicContact CH2-CG 4.3Å; W716-L756 HydrophobicContact CZ3-CD2 4.46Å; W716-L756 HydrophobicContact CZ3-CG 4.43Å; F719-L756 HydrophobicContact CE1-CD2 4.27Å; F719-L756 HydrophobicContact CZ-CD2 4.29Å; V743-L756 HydrophobicContact CG1-CD1 4.49Å; N752-L756 PolarHBondContact O-N 2.67Å; I753-L756 PolarHBondContact O-N 2.91Å; W754-L756 PolarHBondContact O-N 2.79Å; L756-D758 VanDerWaalsContact C-N 3.32Å; L756-D758 PolarHBondContact O-N 3.44Å; L756-F759 WeakPolarHBondContact O-CB 3.43Å; L756-F759 PolarHBondContact O-N 2.89Å; L756-Y760 VanDerWaalsContact O-CD2 3.25Å; L756-Y760 WeakPolarHBondContact O-CD2 3.26Å; L756-Y760 PolarHBondContact O-N 3.24Å |
| 757 | C | 94.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.8 | -42 | 177.2 | -66.3 | 0 | 0 | 0 | 0 | 111.8 | I753 W754 Y760 M761 L771 L772 L775 L960 | I753-C757 PolarHBondContact O-N 3.17Å; I753-C757 PolarHBondContact O-SG 3.05Å; W754-C757 PolarHBondContact O-N 2.87Å; C757-Y760 PolarHBondContact O-N 2.87Å; C757-M761 WeakPolarHBondContact O-CG 3.34Å; C757-M761 PolarHBondContact O-N 2.9Å; C757-L771 WeakPolarHBondContact SG-CB 3.44Å; C757-L772 HydrophobicContact CB-CD2 3.84Å; C757-L775 HydrophobicContact CB-CD1 4.12Å; C757-L960 HydrophobicContact CB-CD1 3.81Å; C757-L960 HydrophobicContact CB-CD2 4.24Å |
| 758 | D | 92.1 | Very high | 90.2 | Very high | 31 Ų | 31 | 36.1 Ų | 36.1 | 17% | 0.166 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60 | -46 | 175.2 | 178.3 | 56.9 | 0 | 0 | 0 | 111.4 | W754 L756 K762 L960 | W754-D758 HydrophobicContact CE3-CB 4.09Å; W754-D758 HydrophobicContact CH2-CB 4.23Å; W754-D758 HydrophobicContact CZ3-CB 3.79Å; W754-D758 WeakPolarHBondContact O-CB 3.45Å; W754-D758 PolarHBondContact O-N 2.88Å; L756-D758 VanDerWaalsContact C-N 3.32Å; L756-D758 PolarHBondContact O-N 3.44Å; D758-K762 WeakPolarHBondContact O-CB 3Å; D758-K762 WeakPolarHBondContact O-CD 3.31Å; D758-K762 WeakPolarHBondContact O-CG 3.21Å; D758-K762 PolarHBondContact O-N 2.91Å; D758-K762 WeakPolarHBondContact OD1-CE 3.39Å; D758-K762 IonicContact OD1-NZ 2.79Å; D758-K762 PolarHBondContact OD1-NZ 2.83Å; D758-K762 IonicContact OD2-NZ 3.67Å; D758-K762 PolarHBondContact OD2-NZ 2.66Å; D758-L960 HydrophobicContact CB-CD1 3.95Å |
| 759 | F | 92.1 | Very high | 90.1 | Very high | 10 Ų | 10 | 33.4 Ų | 33.4 | 4% | 0.044 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.6 | -46.9 | 174.9 | 176.5 | -94.7 | 0 | 0 | 0 | 112.5 | L601 V605 L611 K755 L756 M761 K762 H763 L765 | L601-F759 HydrophobicContact CD1-CE1 4.12Å; L601-F759 HydrophobicContact CD1-CE2 4.05Å; L601-F759 HydrophobicContact CD1-CZ 3.57Å; L601-F759 HydrophobicContact CD2-CD2 3.7Å; L601-F759 HydrophobicContact CD2-CE1 4.3Å; L601-F759 HydrophobicContact CD2-CE2 3.44Å; L601-F759 VanDerWaalsContact CD2-CE2 3.44Å; L601-F759 HydrophobicContact CD2-CG 4.23Å; L601-F759 HydrophobicContact CD2-CZ 3.76Å; L601-F759 HydrophobicContact CG-CD2 4.2Å; L601-F759 HydrophobicContact CG-CE1 4.34Å; L601-F759 HydrophobicContact CG-CE2 3.41Å; L601-F759 VanDerWaalsContact CG-CE2 3.41Å; L601-F759 HydrophobicContact CG-CZ 3.5Å; L601-F759 VanDerWaalsContact CG-CZ 3.5Å; V605-F759 HydrophobicContact CG2-CE1 4.46Å; V605-F759 HydrophobicContact CG2-CE2 4.11Å; V605-F759 HydrophobicContact CG2-CZ 3.5Å; L611-F759 HydrophobicContact CD2-CD1 4.32Å; L611-F759 HydrophobicContact CD2-CE1 3.94Å; K755-F759 VanDerWaalsContact O-CB 3.27Å; K755-F759 WeakPolarHBondContact O-CB 3.31Å; K755-F759 PolarHBondContact O-N 2.7Å; L756-F759 WeakPolarHBondContact O-CB 3.43Å; L756-F759 PolarHBondContact O-N 2.89Å; F759-M761 PolarHBondContact O-N 3.47Å; F759-K762 PolarHBondContact O-N 3.37Å; F759-H763 AromaticContact CD2-CD2 3.43Å; F759-H763 VanDerWaalsContact CD2-CD2 3.43Å; F759-H763 WeakPolarHBondContact CD2-CD2 3.44Å; F759-H763 AromaticContact CD2-NE2 3.72Å; F759-H763 AromaticContact CE2-CD2 3.19Å; F759-H763 WeakPolarHBondContact CE2-CD2 3.28Å; F759-H763 AromaticContact CE2-NE2 3.24Å; F759-H763 WeakPolarHBondContact CE2-NE2 3.24Å; F759-H763 AromaticContact CG-CD2 3.95Å; F759-H763 AromaticContact CZ-CD2 3.53Å; F759-H763 AromaticContact CZ-NE2 3.86Å; F759-H763 WeakPolarHBondContact O-CB 3.49Å; F759-H763 PolarHBondContact O-CD2 2.87Å; F759-H763 PolarHBondContact O-N 2.76Å; F759-L765 HydrophobicContact CE1-CD1 4.37Å |
| 760 | Y | 91.1 | Very high | 90.1 | Very high | 15 Ų | 15 | 35.3 Ų | 35.3 | 6% | 0.059 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.6 | -49.8 | 177.3 | -92.4 | -117.9 | 0 | 0 | 0 | 111.5 | A338 L611 V613 L756 C757 K762 H763 K764 L765 P766 P768 | A338-Y760 HydrophobicContact CB-CE1 3.97Å; L611-Y760 HydrophobicContact CD2-CD2 4.46Å; L611-Y760 HydrophobicContact CD2-CE2 3.59Å; L611-Y760 HydrophobicContact CG-CE2 4.17Å; L611-Y760 PolarHBondContact O-OH 2.91Å; V613-Y760 HydrophobicContact CG2-CE2 4.25Å; L756-Y760 VanDerWaalsContact O-CD2 3.25Å; L756-Y760 WeakPolarHBondContact O-CD2 3.26Å; L756-Y760 PolarHBondContact O-N 3.24Å; C757-Y760 PolarHBondContact O-N 2.87Å; Y760-K762 PolarHBondContact O-N 3.35Å; Y760-H763 PolarHBondContact O-N 2.9Å; Y760-K764 PolarHBondContact O-N 2.84Å; Y760-L765 HydrophobicContact CD1-CB 3.45Å; Y760-L765 VanDerWaalsContact CD1-CB 3.45Å; Y760-L765 HydrophobicContact CD1-CD1 3.98Å; Y760-L765 HydrophobicContact CD1-CG 4.36Å; Y760-L765 HydrophobicContact CD2-CD1 4.08Å; Y760-L765 HydrophobicContact CE1-CB 4.09Å; Y760-L765 HydrophobicContact CE1-CD1 4.15Å; Y760-L765 HydrophobicContact CE2-CD1 4.26Å; Y760-L765 HydrophobicContact CG-CB 3.87Å; Y760-L765 HydrophobicContact CG-CD1 3.95Å; Y760-L765 HydrophobicContact CG-CG 4.49Å; Y760-L765 PolarHBondContact O-N 3.1Å; Y760-P766 WeakPolarHBondContact CD1-O 3.47Å; Y760-P768 HydrophobicContact CD1-CB 4.28Å; Y760-P768 HydrophobicContact CD1-CG 4.13Å; Y760-P768 HydrophobicContact CG-CG 4.22Å |
| 761 | M | 87.4 | Confident | 90.3 | Very high | 15 Ų | 15 | 34.7 Ų | 34.7 | 7% | 0.074 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 178.4 | -66.4 | -60.2 | -53.2 | 0 | 0 | 111.8 | C757 F759 H763 K764 R767 E958 L960 | C757-M761 WeakPolarHBondContact O-CG 3.34Å; C757-M761 PolarHBondContact O-N 2.9Å; F759-M761 PolarHBondContact O-N 3.47Å; M761-H763 VanDerWaalsContact C-N 3.26Å; M761-H763 PolarHBondContact O-N 2.93Å; M761-K764 PolarHBondContact O-N 2.92Å; M761-R767 HydrophobicContact SD-CB 4.33Å; M761-R767 HydrophobicContact SD-CG 4Å; M761-E958 HydrophobicContact CE-CB 3.8Å; M761-E958 HydrophobicContact CE-CG 4.02Å; M761-L960 HydrophobicContact CG-CD2 4.04Å |
| 762 | K | 86.3 | Confident | 90.4 | Very high | 88 Ų | 88 | 31.1 Ų | 31.1 | 38% | 0.383 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -63.1 | -29.2 | 178.5 | -82.5 | 162.4 | 165.8 | 148.7 | 0 | 113.9 | I576 D758 F759 Y760 | I576-K762 HydrophobicContact CD1-CB 4.38Å; I576-K762 HydrophobicContact CD1-CD 3.84Å; I576-K762 HydrophobicContact CD1-CG 4.19Å; D758-K762 WeakPolarHBondContact O-CB 3Å; D758-K762 WeakPolarHBondContact O-CD 3.31Å; D758-K762 WeakPolarHBondContact O-CG 3.21Å; D758-K762 PolarHBondContact O-N 2.91Å; D758-K762 WeakPolarHBondContact OD1-CE 3.39Å; D758-K762 IonicContact OD1-NZ 2.79Å; D758-K762 PolarHBondContact OD1-NZ 2.83Å; D758-K762 IonicContact OD2-NZ 3.67Å; D758-K762 PolarHBondContact OD2-NZ 2.66Å; F759-K762 PolarHBondContact O-N 3.37Å; Y760-K762 PolarHBondContact O-N 3.35Å |
| 763 | H | 86.3 | Confident | 90.4 | Very high | 19 Ų | 19 | 31.6 Ų | 31.6 | 9% | 0.088 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 9 | -179.3 | -76.6 | -66 | 0 | 0 | 0 | 114.7 | I576 W577 E602 F759 Y760 M761 L765 | I576-H763 WeakPolarHBondContact CG2-CE1 3.41Å; W577-H763 PolarHBondContact O-CE1 2.87Å; W577-H763 VanDerWaalsContact O-CE1 3.29Å; W577-H763 PolarHBondContact O-ND1 3.38Å; E602-H763 IonicContact OE1-CE1 2.68Å; E602-H763 IonicContact OE1-NE2 3.76Å; E602-H763 PolarHBondContact OE1-NE2 3.3Å; E602-H763 IonicContact OE2-CE1 3.34Å; E602-H763 PolarHBondContact OE2-CE1 3.3Å; E602-H763 IonicContact OE2-NE2 2.67Å; E602-H763 PolarHBondContact OE2-NE2 2.64Å; E602-H763 VanDerWaalsContact OE2-NE2 3.08Å; F759-H763 AromaticContact CD2-CD2 3.43Å; F759-H763 VanDerWaalsContact CD2-CD2 3.43Å; F759-H763 WeakPolarHBondContact CD2-CD2 3.44Å; F759-H763 AromaticContact CD2-NE2 3.72Å; F759-H763 AromaticContact CE2-CD2 3.19Å; F759-H763 WeakPolarHBondContact CE2-CD2 3.28Å; F759-H763 AromaticContact CE2-NE2 3.24Å; F759-H763 WeakPolarHBondContact CE2-NE2 3.24Å; F759-H763 AromaticContact CG-CD2 3.95Å; F759-H763 AromaticContact CZ-CD2 3.53Å; F759-H763 AromaticContact CZ-NE2 3.86Å; F759-H763 WeakPolarHBondContact O-CB 3.49Å; F759-H763 PolarHBondContact O-CD2 2.87Å; F759-H763 PolarHBondContact O-N 2.76Å; Y760-H763 PolarHBondContact O-N 2.9Å; M761-H763 VanDerWaalsContact C-N 3.26Å; M761-H763 PolarHBondContact O-N 2.93Å; H763-L765 HydrophobicContact CB-CG 4.14Å; H763-L765 PolarHBondContact O-N 3Å |
| 764 | K | 81.6 | Confident | 90.3 | Very high | 101 Ų | 101 | 32.6 Ų | 32.6 | 44% | 0.439 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 31.7 | -174.9 | -59.6 | 180 | 164.8 | -172.5 | 0 | 114 | D580 Y760 M761 R1022 | D580-K764 WeakPolarHBondContact OD2-CE 3.29Å; D580-K764 IonicContact OD2-NZ 2.76Å; D580-K764 PolarHBondContact OD2-NZ 3.32Å; Y760-K764 PolarHBondContact O-N 2.84Å; M761-K764 PolarHBondContact O-N 2.92Å; K764-R1022 VanDerWaalsContact CE-CZ 3.49Å; K764-R1022 VanDerWaalsContact CE-NH1 3.34Å |
| 765 | L | 84.2 | Confident | 90.2 | Very high | 16 Ų | 16 | 31.4 Ų | 31.4 | 8% | 0.084 | 17% | 0.169 | C | C | . | . | trans | -72.2 | 158.5 | 172.3 | -61.4 | -174.6 | 0 | 0 | 0 | 110.5 | A338 L340 F759 Y760 H763 R767 | A338-L765 HydrophobicContact CB-CB 4.46Å; A338-L765 HydrophobicContact CB-CD1 4.28Å; A338-L765 HydrophobicContact CB-CD2 4.33Å; L340-L765 HydrophobicContact CD1-CD1 4.3Å; L340-L765 HydrophobicContact CD2-CD1 4.27Å; L340-L765 HydrophobicContact CD2-CD2 3.64Å; L340-L765 HydrophobicContact CD2-CG 4.41Å; L340-L765 HydrophobicContact CG-CD1 4.3Å; L340-L765 HydrophobicContact CG-CD2 3.75Å; F759-L765 HydrophobicContact CE1-CD1 4.37Å; Y760-L765 HydrophobicContact CD1-CB 3.45Å; Y760-L765 VanDerWaalsContact CD1-CB 3.45Å; Y760-L765 HydrophobicContact CD1-CD1 3.98Å; Y760-L765 HydrophobicContact CD1-CG 4.36Å; Y760-L765 HydrophobicContact CD2-CD1 4.08Å; Y760-L765 HydrophobicContact CE1-CB 4.09Å; Y760-L765 HydrophobicContact CE1-CD1 4.15Å; Y760-L765 HydrophobicContact CE2-CD1 4.26Å; Y760-L765 HydrophobicContact CG-CB 3.87Å; Y760-L765 HydrophobicContact CG-CD1 3.95Å; Y760-L765 HydrophobicContact CG-CG 4.49Å; Y760-L765 PolarHBondContact O-N 3.1Å; H763-L765 HydrophobicContact CB-CG 4.14Å; H763-L765 PolarHBondContact O-N 3Å; L765-R767 PolarHBondContact O-N 3.43Å | ||
| 766 | P | 85.6 | Confident | 90.2 | Very high | 78 Ų | 78 | 30.5 Ų | 30.5 | 51% | 0.506 | 17% | 0.168 | S | C | . | . | trans | -48.8 | 125.6 | 174.3 | -27.7 | 35.7 | 0 | 0 | 0 | 110.7 | Y760 P768 | Y760-P766 WeakPolarHBondContact CD1-O 3.47Å; P766-P768 VanDerWaalsContact O-CD 3.31Å; P766-P768 WeakPolarHBondContact O-CD 3.35Å; P766-P768 VanDerWaalsContact O-N 3.11Å | ||
| 767 | R | 87.2 | Confident | 90 | Very high | 49 Ų | 49 | 35.1 Ų | 35.1 | 19% | 0.185 | 19% | 0.189 | C | C | . | . | trans | -59.4 | 114.1 | -174.5 | 178 | 176.5 | 174 | 89.5 | -10.9 | 109.2 | M761 L765 G769 L772 H1024 | M761-R767 HydrophobicContact SD-CB 4.33Å; M761-R767 HydrophobicContact SD-CG 4Å; L765-R767 PolarHBondContact O-N 3.43Å; R767-G769 PolarHBondContact O-N 3.3Å; R767-L772 HydrophobicContact CG-CD1 3.73Å; R767-H1024 WeakPolarHBondContact CD-NE2 3.43Å; R767-H1024 PolarHBondContact NE-CD2 3.14Å; R767-H1024 VanDerWaalsContact NE-CD2 3.34Å; R767-H1024 PolarHBondContact NE-NE2 2.95Å | ||
| 768 | P | 90.4 | Very high | 89.7 | Confident | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.032 | 20% | 0.201 | C | C | . | . | trans | -79.2 | 85.5 | -166.4 | 31.3 | -35.7 | 0 | 0 | 0 | 110.6 | Y760 P766 H770 L771 L772 | Y760-P768 HydrophobicContact CD1-CB 4.28Å; Y760-P768 HydrophobicContact CD1-CG 4.13Å; Y760-P768 HydrophobicContact CG-CG 4.22Å; P766-P768 VanDerWaalsContact O-CD 3.31Å; P766-P768 WeakPolarHBondContact O-CD 3.35Å; P766-P768 VanDerWaalsContact O-N 3.11Å; P768-H770 VanDerWaalsContact C-N 3.32Å; P768-H770 PolarHBondContact O-N 3.35Å; P768-L771 HydrophobicContact CB-CB 4.08Å; P768-L771 HydrophobicContact CB-CD1 3.88Å; P768-L771 HydrophobicContact CB-CG 4.02Å; P768-L771 HydrophobicContact CG-CB 4.35Å; P768-L771 HydrophobicContact CG-CD1 4.29Å; P768-L771 PolarHBondContact O-N 2.9Å; P768-L772 WeakPolarHBondContact O-CG 3.3Å; P768-L772 PolarHBondContact O-N 3.3Å | ||
| 769 | G | 89.8 | Confident | 89.5 | Confident | 38 Ų | 38 | 37.6 Ų | 37.6 | 39% | 0.392 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59 | -41.7 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113 | R767 L772 G773 | R767-G769 PolarHBondContact O-N 3.3Å; G769-L772 PolarHBondContact O-N 3.28Å; G769-G773 PolarHBondContact O-N 3.45Å |
| 770 | H | 90.4 | Very high | 89.2 | Confident | 81 Ų | 81 | 40.1 Ų | 40.1 | 38% | 0.375 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.9 | -44 | 178.5 | -176.3 | -125.9 | 0 | 0 | 0 | 112.3 | D335 P768 L772 G773 I774 | D335-H770 WeakPolarHBondContact OD2-CB 3.5Å; P768-H770 VanDerWaalsContact C-N 3.32Å; P768-H770 PolarHBondContact O-N 3.35Å; H770-L772 VanDerWaalsContact C-N 3.35Å; H770-L772 PolarHBondContact O-N 2.92Å; H770-G773 PolarHBondContact O-N 2.74Å; H770-G773 VanDerWaalsContact O-N 3.17Å; H770-I774 PolarHBondContact O-N 3.5Å; H770-I774 VanDerWaalsContact O-N 3.17Å |
| 771 | L | 94.4 | Very high | 89 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64 | -39.5 | 178.3 | -59.8 | -172.7 | 0 | 0 | 0 | 112 | V613 V615 I753 C757 P768 G773 I774 L775 | V613-L771 HydrophobicContact CB-CD1 4.4Å; V613-L771 HydrophobicContact CG1-CD1 4.02Å; V613-L771 HydrophobicContact CG1-CD2 4.22Å; V615-L771 HydrophobicContact CG2-CD2 3.36Å; I753-L771 HydrophobicContact CG2-CB 3.94Å; I753-L771 HydrophobicContact CG2-CD2 4.28Å; C757-L771 WeakPolarHBondContact SG-CB 3.44Å; P768-L771 HydrophobicContact CB-CB 4.08Å; P768-L771 HydrophobicContact CB-CD1 3.88Å; P768-L771 HydrophobicContact CB-CG 4.02Å; P768-L771 HydrophobicContact CG-CB 4.35Å; P768-L771 HydrophobicContact CG-CD1 4.29Å; P768-L771 PolarHBondContact O-N 2.9Å; L771-G773 VanDerWaalsContact C-N 3.32Å; L771-I774 HydrophobicContact CD2-CD1 4.49Å; L771-I774 PolarHBondContact O-N 2.67Å; L771-L775 WeakPolarHBondContact O-CG 3.15Å; L771-L775 PolarHBondContact O-N 2.89Å |
| 772 | L | 93.7 | Very high | 88.7 | Confident | 12 Ų | 12 | 45.8 Ų | 45.8 | 6% | 0.063 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.8 | -36.8 | 174.6 | -64.2 | 179.4 | 0 | 0 | 0 | 111.9 | C757 R767 P768 G769 H770 L775 S776 L804 L960 | C757-L772 HydrophobicContact CB-CD2 3.84Å; R767-L772 HydrophobicContact CG-CD1 3.73Å; P768-L772 WeakPolarHBondContact O-CG 3.3Å; P768-L772 PolarHBondContact O-N 3.3Å; G769-L772 PolarHBondContact O-N 3.28Å; H770-L772 VanDerWaalsContact C-N 3.35Å; H770-L772 PolarHBondContact O-N 2.92Å; L772-L775 HydrophobicContact CD2-CD1 4.25Å; L772-L775 PolarHBondContact O-N 3.34Å; L772-S776 PolarHBondContact O-N 3.31Å; L772-S776 PolarHBondContact O-OG 2.97Å; L772-L804 HydrophobicContact CB-CD2 4.27Å; L772-L804 HydrophobicContact CD2-CD1 4.22Å; L772-L804 HydrophobicContact CD2-CD2 4.29Å; L772-L960 HydrophobicContact CD2-CD2 3.68Å |
| 773 | G | 92.9 | Very high | 88.2 | Confident | 32 Ų | 32 | 43 Ų | 43 | 33% | 0.33 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -56.5 | -49.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G769 H770 L771 L775 S776 Q777 | G769-G773 PolarHBondContact O-N 3.45Å; H770-G773 PolarHBondContact O-N 2.74Å; H770-G773 VanDerWaalsContact O-N 3.17Å; L771-G773 VanDerWaalsContact C-N 3.32Å; G773-L775 VanDerWaalsContact C-N 3.31Å; G773-L775 PolarHBondContact O-N 3.13Å; G773-S776 WeakPolarHBondContact CA-OG 3.32Å; G773-S776 PolarHBondContact O-N 2.82Å; G773-S776 PolarHBondContact O-OG 3.11Å; G773-Q777 WeakPolarHBondContact O-CB 3.41Å; G773-Q777 PolarHBondContact O-N 3.44Å |
| 774 | I | 93.5 | Very high | 87.5 | Confident | 21 Ų | 21 | 48.3 Ų | 48.3 | 11% | 0.108 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57.5 | -43.9 | 176.6 | -62.9 | 166.1 | 0 | 0 | 0 | 111.1 | V615 I753 H770 L771 Q777 R778 | V615-I774 HydrophobicContact CB-CD1 4.32Å; V615-I774 HydrophobicContact CG1-CD1 3.75Å; V615-I774 HydrophobicContact CG2-CD1 3.74Å; I753-I774 HydrophobicContact CD1-CD1 4.47Å; I753-I774 HydrophobicContact CD1-CG2 4.18Å; H770-I774 PolarHBondContact O-N 3.5Å; H770-I774 VanDerWaalsContact O-N 3.17Å; L771-I774 HydrophobicContact CD2-CD1 4.49Å; L771-I774 PolarHBondContact O-N 2.67Å; I774-Q777 PolarHBondContact O-N 3.03Å; I774-R778 HydrophobicContact CG2-CG 4.39Å; I774-R778 WeakPolarHBondContact O-CB 3.27Å; I774-R778 VanDerWaalsContact O-CG 3.25Å; I774-R778 WeakPolarHBondContact O-CG 3.44Å; I774-R778 PolarHBondContact O-N 3.36Å |
| 775 | L | 93.5 | Very high | 86.9 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 177.6 | -64.1 | 173.9 | 0 | 0 | 0 | 111.8 | V750 I753 W754 C757 L771 L772 G773 R779 L804 | V750-L775 HydrophobicContact CG1-CD2 3.77Å; I753-L775 HydrophobicContact CB-CD2 4.27Å; I753-L775 HydrophobicContact CG2-CD1 4.35Å; I753-L775 HydrophobicContact CG2-CD2 3.95Å; I753-L775 HydrophobicContact CG2-CG 3.99Å; W754-L775 HydrophobicContact CB-CD1 4.28Å; W754-L775 HydrophobicContact CB-CD2 3.92Å; W754-L775 HydrophobicContact CG-CD1 4.42Å; C757-L775 HydrophobicContact CB-CD1 4.12Å; L771-L775 WeakPolarHBondContact O-CG 3.15Å; L771-L775 PolarHBondContact O-N 2.89Å; L772-L775 HydrophobicContact CD2-CD1 4.25Å; L772-L775 PolarHBondContact O-N 3.34Å; G773-L775 VanDerWaalsContact C-N 3.31Å; G773-L775 PolarHBondContact O-N 3.13Å; L775-R779 VanDerWaalsContact O-CG 3.26Å; L775-R779 WeakPolarHBondContact O-CG 3.17Å; L775-R779 PolarHBondContact O-N 2.77Å; L775-L804 HydrophobicContact CB-CD2 4.32Å |
| 776 | S | 92.6 | Very high | 86.1 | Confident | 24 Ų | 24 | 55.6 Ų | 55.6 | 17% | 0.168 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.7 | -39.4 | 178.2 | 50.4 | 0 | 0 | 0 | 0 | 113.3 | L772 G773 R779 L780 | L772-S776 PolarHBondContact O-N 3.31Å; L772-S776 PolarHBondContact O-OG 2.97Å; G773-S776 WeakPolarHBondContact CA-OG 3.32Å; G773-S776 PolarHBondContact O-N 2.82Å; G773-S776 PolarHBondContact O-OG 3.11Å; S776-R779 PolarHBondContact O-N 3.14Å; S776-L780 PolarHBondContact O-N 3.11Å |
| 777 | Q | 90.8 | Very high | 85 | Confident | 96 Ų | 96 | 60.2 Ų | 60.2 | 45% | 0.449 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.9 | -46.7 | 179.1 | 175.4 | 57.1 | 24.4 | 0 | 0 | 111.2 | G773 I774 R779 L780 E781 | G773-Q777 WeakPolarHBondContact O-CB 3.41Å; G773-Q777 PolarHBondContact O-N 3.44Å; I774-Q777 PolarHBondContact O-N 3.03Å; Q777-R779 VanDerWaalsContact C-N 3.25Å; Q777-R779 PolarHBondContact O-N 3.45Å; Q777-L780 WeakPolarHBondContact O-CB 3.47Å; Q777-L780 PolarHBondContact O-N 3.48Å; Q777-E781 WeakPolarHBondContact CG-OE1 3.38Å; Q777-E781 PolarHBondContact NE2-OE1 3.09Å; Q777-E781 PolarHBondContact O-N 2.69Å |
| 778 | R | 88.9 | Confident | 83.7 | Confident | 68 Ų | 68 | 60.1 Ų | 60.1 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60 | -33 | 177.4 | -71.9 | -78.5 | -176.9 | -143.5 | 4.8 | 113 | P747 V750 I774 L780 E781 E782 | P747-R778 PolarHBondContact O-NE 3.3Å; P747-R778 PolarHBondContact O-NH2 2.98Å; V750-R778 HydrophobicContact CG1-CB 4.32Å; V750-R778 HydrophobicContact CG2-CB 4.12Å; V750-R778 HydrophobicContact CG2-CG 3.69Å; I774-R778 HydrophobicContact CG2-CG 4.39Å; I774-R778 WeakPolarHBondContact O-CB 3.27Å; I774-R778 VanDerWaalsContact O-CG 3.25Å; I774-R778 WeakPolarHBondContact O-CG 3.44Å; I774-R778 PolarHBondContact O-N 3.36Å; R778-L780 VanDerWaalsContact C-N 3.27Å; R778-L780 PolarHBondContact O-N 2.72Å; R778-E781 WeakPolarHBondContact CD-OE2 3.43Å; R778-E781 IonicContact CZ-OE2 2.93Å; R778-E781 IonicContact NE-OE2 2.92Å; R778-E781 IonicContact NH1-OE2 3.6Å; R778-E781 PolarHBondContact NH1-OE2 3.26Å; R778-E781 PolarHBondContact O-N 2.68Å; R778-E782 WeakPolarHBondContact O-CB 3.22Å; R778-E782 VanDerWaalsContact O-CG 3.23Å; R778-E782 WeakPolarHBondContact O-CG 3.37Å; R778-E782 PolarHBondContact O-N 3.42Å |
| 779 | R | 87.8 | Confident | 82.2 | Confident | 16 Ų | 16 | 65.5 Ų | 65.5 | 6% | 0.06 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.6 | -18.2 | 175.6 | -69.6 | -74.7 | 177.8 | -95.8 | -15.3 | 114.3 | L775 S776 Q777 E782 R805 H806 H812 | L775-R779 VanDerWaalsContact O-CG 3.26Å; L775-R779 WeakPolarHBondContact O-CG 3.17Å; L775-R779 PolarHBondContact O-N 2.77Å; S776-R779 PolarHBondContact O-N 3.14Å; Q777-R779 VanDerWaalsContact C-N 3.25Å; Q777-R779 PolarHBondContact O-N 3.45Å; R779-E782 WeakPolarHBondContact CD-OE2 3.45Å; R779-E782 IonicContact CZ-OE2 2.72Å; R779-E782 IonicContact NE-OE2 3.2Å; R779-E782 IonicContact NH1-OE1 2.92Å; R779-E782 PolarHBondContact NH1-OE1 2.97Å; R779-E782 IonicContact NH1-OE2 3.22Å; R779-E782 PolarHBondContact NH1-OE2 2.71Å; R779-R805 PolarHBondContact NE-O 2.88Å; R779-R805 PolarHBondContact NH2-O 3.26Å; R779-H806 PolarHBondContact NH2-O 3.48Å; R779-H812 PolarHBondContact O-ND1 3.33Å; R779-H812 VanDerWaalsContact O-ND1 3.07Å |
| 780 | L | 85.7 | Confident | 81 | Confident | 63 Ų | 63 | 65.3 Ų | 65.3 | 33% | 0.33 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -80.7 | -53.3 | 169.1 | -62.8 | 172.5 | 0 | 0 | 0 | 109.5 | S776 Q777 R778 E782 Q783 E784 M797 H812 | S776-L780 PolarHBondContact O-N 3.11Å; Q777-L780 WeakPolarHBondContact O-CB 3.47Å; Q777-L780 PolarHBondContact O-N 3.48Å; R778-L780 VanDerWaalsContact C-N 3.27Å; R778-L780 PolarHBondContact O-N 2.72Å; L780-E782 PolarHBondContact O-N 2.88Å; L780-Q783 CarbonylContact O-C 3.53Å; L780-Q783 WeakPolarHBondContact O-CA 3.26Å; L780-Q783 PolarHBondContact O-N 3.07Å; L780-E784 PolarHBondContact O-N 3.5Å; L780-E784 VanDerWaalsContact O-N 3.09Å; L780-M797 HydrophobicContact CD2-CE 3.8Å; L780-H812 HydrophobicContact CD2-CB 4.02Å |
| 781 | E | 86.3 | Confident | 80.2 | Confident | 68 Ų | 68 | 69.8 Ų | 69.8 | 32% | 0.318 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.2 | -46 | -179 | -65.6 | 168 | -174.5 | 0 | 0 | 113.1 | Q777 R778 Q783 E784 L785 | Q777-E781 WeakPolarHBondContact CG-OE1 3.38Å; Q777-E781 PolarHBondContact NE2-OE1 3.09Å; Q777-E781 PolarHBondContact O-N 2.69Å; R778-E781 WeakPolarHBondContact CD-OE2 3.43Å; R778-E781 IonicContact CZ-OE2 2.93Å; R778-E781 IonicContact NE-OE2 2.92Å; R778-E781 IonicContact NH1-OE2 3.6Å; R778-E781 PolarHBondContact NH1-OE2 3.26Å; R778-E781 PolarHBondContact O-N 2.68Å; E781-Q783 PolarHBondContact O-N 3.39Å; E781-Q783 VanDerWaalsContact O-N 3.11Å; E781-E784 PolarHBondContact O-N 2.92Å; E781-E784 VanDerWaalsContact O-N 3.1Å; E781-L785 PolarHBondContact O-N 2.97Å; E781-L785 VanDerWaalsContact O-N 3.13Å |
| 782 | E | 81.5 | Confident | 79.6 | Confident | 81 Ų | 81 | 72 Ų | 72 | 38% | 0.379 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -53.4 | -32.4 | 175.1 | -78.3 | 169.1 | 174.7 | 0 | 0 | 112.6 | R778 R779 L780 H786 | R778-E782 WeakPolarHBondContact O-CB 3.22Å; R778-E782 VanDerWaalsContact O-CG 3.23Å; R778-E782 WeakPolarHBondContact O-CG 3.37Å; R778-E782 PolarHBondContact O-N 3.42Å; R779-E782 WeakPolarHBondContact CD-OE2 3.45Å; R779-E782 IonicContact CZ-OE2 2.72Å; R779-E782 IonicContact NE-OE2 3.2Å; R779-E782 IonicContact NH1-OE1 2.92Å; R779-E782 PolarHBondContact NH1-OE1 2.97Å; R779-E782 IonicContact NH1-OE2 3.22Å; R779-E782 PolarHBondContact NH1-OE2 2.71Å; L780-E782 PolarHBondContact O-N 2.88Å; E782-H786 WeakPolarHBondContact O-CB 3.15Å; E782-H786 PolarHBondContact O-N 2.68Å; E782-H786 VanDerWaalsContact O-N 3.11Å; E782-H786 PolarHBondContact O-ND1 2.61Å |
| 783 | Q | 74.6 | Confident | 79.3 | Confident | 30 Ų | 30 | 72.4 Ų | 72.4 | 14% | 0.14 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -98.3 | -5.2 | -175.7 | -164.1 | -113.8 | -79.3 | 0 | 0 | 113.4 | L780 E781 H786 P788 | L780-Q783 CarbonylContact O-C 3.53Å; L780-Q783 WeakPolarHBondContact O-CA 3.26Å; L780-Q783 PolarHBondContact O-N 3.07Å; E781-Q783 PolarHBondContact O-N 3.39Å; E781-Q783 VanDerWaalsContact O-N 3.11Å; Q783-H786 CarbonylContact C-O 3.54Å; Q783-H786 VanDerWaalsContact O-O 3.11Å; Q783-P788 HydrophobicContact CG-CB 4.32Å |
| 784 | E | 72.2 | Confident | 79.2 | Confident | 129 Ų | 129 | 70.9 Ų | 70.9 | 60% | 0.603 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -84.3 | -31.1 | 161.6 | -57.1 | -148.9 | 123.3 | 0 | 0 | 110.9 | L780 E781 K1041 | L780-E784 PolarHBondContact O-N 3.5Å; L780-E784 VanDerWaalsContact O-N 3.09Å; E781-E784 PolarHBondContact O-N 2.92Å; E781-E784 VanDerWaalsContact O-N 3.1Å; E784-K1041 IonicContact OE1-NZ 2.85Å; E784-K1041 PolarHBondContact OE1-NZ 3.31Å |
| 785 | L | 69.6 | Low | 79 | Confident | 145 Ų | 145 | 75.6 Ų | 75.6 | 76% | 0.759 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -77.7 | -35.2 | 175.1 | -162.7 | 70.3 | 0 | 0 | 0 | 113.1 | E781 | E781-L785 PolarHBondContact O-N 2.97Å; E781-L785 VanDerWaalsContact O-N 3.13Å |
| 786 | H | 66.3 | Low | 78.9 | Confident | 125 Ų | 125 | 75.9 Ų | 75.9 | 58% | 0.579 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -113.1 | 127.7 | 179.7 | -56.7 | 83.8 | 0 | 0 | 0 | 111.4 | E782 Q783 | E782-H786 WeakPolarHBondContact O-CB 3.15Å; E782-H786 PolarHBondContact O-N 2.68Å; E782-H786 VanDerWaalsContact O-N 3.11Å; E782-H786 PolarHBondContact O-ND1 2.61Å; Q783-H786 CarbonylContact C-O 3.54Å; Q783-H786 VanDerWaalsContact O-O 3.11Å |
| 787 | Q | 62.6 | Low | 78.9 | Confident | 175 Ų | 175 | 75 Ų | 75 | 82% | 0.818 | 37% | 0.367 | S | S | * | . | trans | -58.5 | 133 | 173.3 | -67.3 | -171 | 5 | 0 | 0 | 110.6 | T789 | Q787-T789 PolarHBondContact O-N 3.15Š| ||
| 788 | P | 60.6 | Low | 78.9 | Confident | 47 Ų | 47 | 71.4 Ų | 71.4 | 31% | 0.305 | 35% | 0.353 | S | S | . | . | trans | -68 | 118.9 | -171.4 | 25.9 | -34.2 | 0 | 0 | 0 | 111.6 | Q783 S790 R811 | Q783-P788 HydrophobicContact CG-CB 4.32Å; P788-S790 PolarHBondContact O-N 2.77Å; P788-R811 HydrophobicContact CB-CB 4.2Å | ||
| 789 | T | 58.4 | Low | 79.1 | Confident | 118 Ų | 118 | 68.5 Ų | 68.5 | 72% | 0.724 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -64 | -22.4 | -177.8 | -27.6 | 0 | 0 | 0 | 0 | 113.2 | Q787 | Q787-T789 PolarHBondContact O-N 3.15Š|
| 790 | S | 65.6 | Low | 79.3 | Confident | 34 Ų | 34 | 68.9 Ų | 68.9 | 24% | 0.238 | 35% | 0.346 | C | S | . | . | trans | -114.3 | 134.5 | 173.7 | -170 | 0 | 0 | 0 | 0 | 111.9 | P788 S792 M809 | P788-S790 PolarHBondContact O-N 2.77Å; S790-S792 PolarHBondContact O-N 3.02Å; S790-S792 PolarHBondContact OG-N 3.05Å; S790-S792 PolarHBondContact OG-OG 3.47Å; S790-M809 WeakPolarHBondContact CB-O 3.29Å; S790-M809 PolarHBondContact N-O 3.49Å | ||
| 791 | R | 73.3 | Confident | 79.6 | Confident | 176 Ų | 176 | 66.4 Ų | 66.4 | 66% | 0.664 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -64 | -22.6 | 168.5 | -66.4 | -178.6 | 176 | -174 | -3.2 | 112.8 | R811 W815 | R791-R811 PolarHBondContact O-NE 3.13Å; R791-R811 PolarHBondContact O-NH2 3.04Å; R791-W815 HydrophobicContact CB-CH2 4.43Å |
| 792 | S | 81.6 | Confident | 80 | Confident | 51 Ų | 51 | 63.6 Ų | 63.6 | 36% | 0.357 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -84.5 | 137.6 | -172.5 | 66.6 | 0 | 0 | 0 | 0 | 113.5 | S790 Y810 R811 | S790-S792 PolarHBondContact O-N 3.02Å; S790-S792 PolarHBondContact OG-N 3.05Å; S790-S792 PolarHBondContact OG-OG 3.47Å; S792-Y810 WeakPolarHBondContact OG-CD1 3.47Å; S792-R811 PolarHBondContact O-N 2.94Å; S792-R811 VanDerWaalsContact O-N 3.1Å |
| 793 | L | 86.9 | Confident | 80.5 | Confident | 21 Ų | 21 | 59.8 Ų | 59.8 | 11% | 0.11 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -67.2 | 137.8 | 177.7 | -171.3 | 68.9 | 0 | 0 | 0 | 111.4 | H795 M797 A798 R811 M814 | L793-H795 PolarHBondContact O-N 2.68Å; L793-M797 HydrophobicContact CD1-CG 4.43Å; L793-A798 HydrophobicContact CD2-CB 3.8Å; L793-A798 HydrophobicContact CG-CB 4.23Å; L793-R811 CarbonylContact C-O 3.52Å; L793-R811 WeakPolarHBondContact CA-O 3.04Å; L793-M814 HydrophobicContact CD2-CE 3.63Å |
| 794 | C | 90.3 | Very high | 81.3 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -63 | 125.8 | -179.2 | 177.9 | 0 | 0 | 0 | 0 | 110.8 | Q796 M797 A798 R811 H812 | C794-Q796 PolarHBondContact O-N 3.06Å; C794-M797 HydrophobicContact CB-CB 3.92Å; C794-M797 WeakPolarHBondContact O-CB 3.47Å; C794-M797 PolarHBondContact O-N 3.09Å; C794-A798 PolarHBondContact O-N 3.36Å; C794-R811 WeakPolarHBondContact CB-O 3.43Å; C794-R811 PolarHBondContact N-O 2.84Å; C794-H812 WeakPolarHBondContact CB-CD2 3.29Å |
| 795 | H | 89.7 | Confident | 82.1 | Confident | 120 Ų | 120 | 55.3 Ų | 55.3 | 56% | 0.556 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -23.1 | -177 | -77 | 39 | 0 | 0 | 0 | 114.4 | L793 A799 | L793-H795 PolarHBondContact O-N 2.68Å; H795-A799 VanDerWaalsContact O-CB 3.22Å; H795-A799 WeakPolarHBondContact O-CB 3.49Å |
| 796 | Q | 92.8 | Very high | 82.8 | Confident | 6 Ų | 6 | 51.1 Ų | 51.1 | 3% | 0.028 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -44.5 | 170 | -72.8 | -161.9 | 4 | 0 | 0 | 111.3 | C794 A798 A799 F800 D802 R805 L960 D961 R962 | C794-Q796 PolarHBondContact O-N 3.06Å; Q796-A798 PolarHBondContact O-N 3.04Å; Q796-A799 PolarHBondContact O-N 3.46Å; Q796-F800 HydrophobicContact CB-CD2 4.3Å; Q796-F800 WeakPolarHBondContact O-CD2 3.4Å; Q796-F800 PolarHBondContact O-N 2.91Å; Q796-D802 CarbonylContact C-O 3.59Å; Q796-D802 VanDerWaalsContact C-O 3.25Å; Q796-R805 HydrophobicContact CG-CG 4.49Å; Q796-L960 PolarHBondContact NE2-O 2.9Å; Q796-L960 VanDerWaalsContact NE2-O 3.11Å; Q796-D961 PolarHBondContact NE2-O 3.24Å; Q796-R962 VanDerWaalsContact OE1-NH1 3.1Å |
| 797 | M | 91.8 | Very high | 83.7 | Confident | 7 Ų | 7 | 53 Ų | 53 | 3% | 0.034 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.5 | -49.3 | 177.2 | -179.8 | 54.4 | 79.1 | 0 | 0 | 110.8 | L780 L793 C794 A799 F800 G801 D802 H812 M1036 | L780-M797 HydrophobicContact CD2-CE 3.8Å; L793-M797 HydrophobicContact CD1-CG 4.43Å; C794-M797 HydrophobicContact CB-CB 3.92Å; C794-M797 WeakPolarHBondContact O-CB 3.47Å; C794-M797 PolarHBondContact O-N 3.09Å; M797-A799 PolarHBondContact O-N 2.82Å; M797-F800 PolarHBondContact O-N 2.75Å; M797-G801 WeakPolarHBondContact O-CA 3.42Å; M797-G801 PolarHBondContact O-N 2.9Å; M797-G801 VanDerWaalsContact SD-O 3.39Å; M797-D802 PolarHBondContact N-O 3.24Å; M797-H812 HydrophobicContact CE-CB 3.99Å; M797-M1036 HydrophobicContact CG-CG 4.18Å; M797-M1036 HydrophobicContact CG-SD 3.61Å; M797-M1036 HydrophobicContact SD-CB 4.15Å; M797-M1036 HydrophobicContact SD-CG 3.8Å; M797-M1036 HydrophobicContact SD-SD 3.7Å |
| 798 | A | 90.9 | Very high | 84.8 | Confident | 20 Ų | 20 | 46 Ų | 46 | 17% | 0.165 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.9 | -4.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L793 C794 Q796 | L793-A798 HydrophobicContact CD2-CB 3.8Å; L793-A798 HydrophobicContact CG-CB 4.23Å; C794-A798 PolarHBondContact O-N 3.36Å; Q796-A798 PolarHBondContact O-N 3.04Å |
| 799 | A | 91.9 | Very high | 85.9 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 6% | 0.058 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -112.7 | -35.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | H795 Q796 M797 R951 | H795-A799 VanDerWaalsContact O-CB 3.22Å; H795-A799 WeakPolarHBondContact O-CB 3.49Å; Q796-A799 PolarHBondContact O-N 3.46Å; M797-A799 PolarHBondContact O-N 2.82Å; A799-R951 VanDerWaalsContact CB-NH1 3.31Å |
| 800 | F | 93.1 | Very high | 87.2 | Confident | 23 Ų | 23 | 48.2 Ų | 48.2 | 10% | 0.101 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -132.1 | -6.5 | -165.3 | -52.2 | -66.4 | 0 | 0 | 0 | 113.6 | Q796 M797 D802 Q956 R962 K1032 | Q796-F800 HydrophobicContact CB-CD2 4.3Å; Q796-F800 WeakPolarHBondContact O-CD2 3.4Å; Q796-F800 PolarHBondContact O-N 2.91Å; M797-F800 PolarHBondContact O-N 2.75Å; F800-D802 WeakPolarHBondContact CB-OD1 3.37Å; F800-D802 PolarHBondContact O-N 3.29Å; F800-Q956 HydrophobicContact CE1-CB 3.92Å; F800-Q956 HydrophobicContact CZ-CB 4.11Å; F800-R962 VanDerWaalsContact CD2-CD 3.44Å; F800-R962 HydrophobicContact CE2-CB 4.18Å; F800-R962 VanDerWaalsContact CE2-CD 3.41Å; F800-R962 HydrophobicContact CE2-CG 4.42Å; F800-K1032 WeakPolarHBondContact O-CB 3.42Å; F800-K1032 WeakPolarHBondContact O-CD 3.35Å |
| 801 | G | 92.4 | Very high | 88.3 | Confident | 12 Ų | 12 | 46.9 Ų | 46.9 | 12% | 0.124 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 70.4 | 11 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | M797 | M797-G801 WeakPolarHBondContact O-CA 3.42Å; M797-G801 PolarHBondContact O-N 2.9Å; M797-G801 VanDerWaalsContact SD-O 3.39Å |
| 802 | D | 93.3 | Very high | 89.2 | Confident | 9 Ų | 9 | 38.9 Ų | 38.9 | 5% | 0.048 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -150.2 | 167.7 | 176.6 | 61.8 | 10.8 | 0 | 0 | 0 | 111.6 | Q796 M797 F800 R962 K1032 | Q796-D802 CarbonylContact C-O 3.59Å; Q796-D802 VanDerWaalsContact C-O 3.25Å; M797-D802 PolarHBondContact N-O 3.24Å; F800-D802 WeakPolarHBondContact CB-OD1 3.37Å; F800-D802 PolarHBondContact O-N 3.29Å; D802-R962 PolarHBondContact O-NH1 2.82Å; D802-R962 IonicContact OD1-CZ 2.63Å; D802-R962 IonicContact OD1-NH1 3.25Å; D802-R962 PolarHBondContact OD1-NH1 2.92Å; D802-R962 IonicContact OD1-NH2 2.75Å; D802-R962 PolarHBondContact OD1-NH2 3.2Å; D802-R962 IonicContact OD2-NH2 3.52Å; D802-R962 PolarHBondContact OD2-NH2 2.91Å; D802-K1032 HydrophobicContact CB-CD 4.37Å; D802-K1032 WeakPolarHBondContact OD2-CE 3.12Å; D802-K1032 IonicContact OD2-NZ 2.72Å; D802-K1032 PolarHBondContact OD2-NZ 3.07Å |
| 803 | C | 92.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | trans | -130.8 | 124.6 | 176.5 | -172.2 | 0 | 0 | 0 | 0 | 110.7 | H812 | C803-H812 PolarHBondContact SG-NE2 2.87Š| ||
| 804 | L | 92 | Very high | 89.5 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | trans | -113.7 | 10 | -178.7 | -59.9 | 178.8 | 0 | 0 | 0 | 112.7 | W754 L772 L775 | W754-L804 PolarHBondContact NE1-O 3.29Å; L772-L804 HydrophobicContact CB-CD2 4.27Å; L772-L804 HydrophobicContact CD2-CD1 4.22Å; L772-L804 HydrophobicContact CD2-CD2 4.29Å; L775-L804 HydrophobicContact CB-CD2 4.32Å | ||
| 805 | R | 88.9 | Confident | 89.4 | Confident | 63 Ų | 63 | 38.3 Ų | 38.3 | 24% | 0.238 | 18% | 0.182 | C | C | . | . | trans | -64.1 | 144.8 | 179.9 | -68.6 | 177.7 | 165.1 | 176.5 | -7.9 | 111.6 | R779 Q796 K807 C808 Y810 | R779-R805 PolarHBondContact NE-O 2.88Å; R779-R805 PolarHBondContact NH2-O 3.26Å; Q796-R805 HydrophobicContact CG-CG 4.49Å; R805-K807 VanDerWaalsContact C-N 3.29Å; R805-K807 WeakPolarHBondContact CB-O 3.43Å; R805-K807 PolarHBondContact O-N 3.11Å; R805-C808 HydrophobicContact CB-CB 4.32Å; R805-Y810 VanDerWaalsContact NH1-CE2 3.33Å | ||
| 806 | H | 84.8 | Confident | 89.4 | Confident | 56 Ų | 56 | 39.2 Ų | 39.2 | 26% | 0.259 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -61.5 | -36.6 | 177 | -175.4 | -113.2 | 0 | 0 | 0 | 112.8 | E751 W754 R779 | E751-H806 IonicContact OE1-CE1 3.21Å; E751-H806 IonicContact OE1-NE2 2.7Å; E751-H806 PolarHBondContact OE1-NE2 2.81Å; E751-H806 IonicContact OE2-CD2 3.73Å; E751-H806 IonicContact OE2-CE1 3.59Å; E751-H806 IonicContact OE2-NE2 3.07Å; E751-H806 PolarHBondContact OE2-NE2 3.02Å; W754-H806 HydrophobicContact CD2-CB 4.11Å; W754-H806 AromaticContact CD2-CD2 3.67Å; W754-H806 HydrophobicContact CE3-CB 4.48Å; W754-H806 AromaticContact CE3-CD2 3.78Å; W754-H806 AromaticContact CG-CD2 3.93Å; W754-H806 HydrophobicContact CH2-CB 4.19Å; W754-H806 HydrophobicContact CZ2-CB 3.76Å; R779-H806 PolarHBondContact NH2-O 3.48Å |
| 807 | K | 83.8 | Confident | 88.9 | Confident | 164 Ų | 164 | 43.1 Ų | 43.1 | 71% | 0.713 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -143 | 152 | 165.6 | -62.4 | -171.9 | 179.5 | -172.7 | 0 | 108.9 | R805 | R805-K807 VanDerWaalsContact C-N 3.29Å; R805-K807 WeakPolarHBondContact CB-O 3.43Å; R805-K807 PolarHBondContact O-N 3.11Å |
| 808 | C | 85.6 | Confident | 88.7 | Confident | 28 Ų | 28 | 43.9 Ų | 43.9 | 19% | 0.189 | 21% | 0.205 | C | C | . | . | trans | -148.3 | 122.8 | 179.4 | -163.4 | 0 | 0 | 0 | 0 | 111.4 | R805 H812 | R805-C808 HydrophobicContact CB-CB 4.32Å; C808-H812 PolarHBondContact SG-NE2 2.87Å | ||
| 809 | M | 84.3 | Confident | 88.5 | Confident | 122 Ų | 122 | 44.3 Ų | 44.3 | 60% | 0.601 | 21% | 0.205 | S | C | * | . | trans | -94.1 | 7.3 | 178 | -49.9 | -52.8 | -67 | 0 | 0 | 113 | S790 | S790-M809 WeakPolarHBondContact CB-O 3.29Å; S790-M809 PolarHBondContact N-O 3.49Å | ||
| 810 | Y | 86.6 | Confident | 88.3 | Confident | 91 Ų | 91 | 50.2 Ų | 50.2 | 36% | 0.357 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -99.9 | 149.2 | -174.5 | -63.6 | -93.4 | 0 | 0 | 0 | 111.1 | S792 R805 H812 | S792-Y810 WeakPolarHBondContact OG-CD1 3.47Å; R805-Y810 VanDerWaalsContact NH1-CE2 3.33Å; Y810-H812 PolarHBondContact O-N 3.07Å |
| 811 | R | 88.8 | Confident | 88.2 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 2% | 0.023 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -62.4 | 132 | 174.2 | 173 | 168.3 | 58.5 | 93.5 | -6.7 | 110.6 | P788 R791 S792 L793 C794 V813 E818 | P788-R811 HydrophobicContact CB-CB 4.2Å; R791-R811 PolarHBondContact O-NE 3.13Å; R791-R811 PolarHBondContact O-NH2 3.04Å; S792-R811 PolarHBondContact O-N 2.94Å; S792-R811 VanDerWaalsContact O-N 3.1Å; L793-R811 CarbonylContact C-O 3.52Å; L793-R811 WeakPolarHBondContact CA-O 3.04Å; C794-R811 WeakPolarHBondContact CB-O 3.43Å; C794-R811 PolarHBondContact N-O 2.84Å; R811-V813 VanDerWaalsContact CD-O 3.26Å; R811-V813 WeakPolarHBondContact CD-O 3.34Å; R811-V813 HydrophobicContact CG-CB 4.48Å; R811-V813 WeakPolarHBondContact CG-O 3.39Å; R811-V813 PolarHBondContact NH1-O 2.95Å; R811-E818 IonicContact CZ-OE1 3.77Å; R811-E818 IonicContact CZ-OE2 2.68Å; R811-E818 IonicContact NH1-OE1 3.92Å; R811-E818 IonicContact NH1-OE2 3.27Å; R811-E818 PolarHBondContact NH1-OE2 3.23Å; R811-E818 IonicContact NH2-OE1 2.94Å; R811-E818 PolarHBondContact NH2-OE1 3.07Å; R811-E818 IonicContact NH2-OE2 3.45Å; R811-E818 PolarHBondContact NH2-OE2 3.46Å |
| 812 | H | 90.5 | Very high | 88.1 | Confident | 7 Ų | 7 | 51 Ų | 51 | 3% | 0.032 | 24% | 0.24 | C | C | . | . | trans | -104.2 | 0.1 | 174 | -55.1 | 123.3 | 0 | 0 | 0 | 113 | R779 L780 C794 M797 C803 C808 Y810 | R779-H812 PolarHBondContact O-ND1 3.33Å; R779-H812 VanDerWaalsContact O-ND1 3.07Å; L780-H812 HydrophobicContact CD2-CB 4.02Å; C794-H812 WeakPolarHBondContact CB-CD2 3.29Å; M797-H812 HydrophobicContact CE-CB 3.99Å; C803-H812 PolarHBondContact SG-NE2 2.87Å; C808-H812 PolarHBondContact SG-NE2 2.87Å; Y810-H812 PolarHBondContact O-N 3.07Å | ||
| 813 | V | 87.5 | Confident | 87.9 | Confident | 20 Ų | 20 | 57.3 Ų | 57.3 | 12% | 0.121 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -105.4 | 120.6 | 176.4 | 176.1 | 0 | 0 | 0 | 0 | 109.9 | R811 K1041 | R811-V813 VanDerWaalsContact CD-O 3.26Å; R811-V813 WeakPolarHBondContact CD-O 3.34Å; R811-V813 HydrophobicContact CG-CB 4.48Å; R811-V813 WeakPolarHBondContact CG-O 3.39Å; R811-V813 PolarHBondContact NH1-O 2.95Å; V813-K1041 HydrophobicContact CG1-CB 3.97Å; V813-K1041 HydrophobicContact CG1-CD 3.94Å; V813-K1041 HydrophobicContact CG1-CG 3.71Å |
| 814 | M | 88.5 | Confident | 87.8 | Confident | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | trans | -72.6 | 142.7 | 173.2 | -178.4 | 166.4 | -83 | 0 | 0 | 110.8 | L793 E818 V819 I996 H997 M1036 V1037 S1040 K1041 | L793-M814 HydrophobicContact CD2-CE 3.63Å; M814-E818 HydrophobicContact CG-CB 3.83Å; M814-V819 HydrophobicContact CG-CG2 4.13Å; M814-V819 HydrophobicContact SD-CB 4.5Å; M814-V819 HydrophobicContact SD-CG2 3.94Å; M814-I996 HydrophobicContact CE-CG2 3.97Å; M814-I996 HydrophobicContact SD-CG2 3.96Å; M814-H997 HydrophobicContact CE-CB 4.22Å; M814-M1036 HydrophobicContact CB-CG 4.26Å; M814-M1036 HydrophobicContact CE-CE 3.55Å; M814-M1036 HydrophobicContact CE-SD 4.17Å; M814-M1036 HydrophobicContact SD-CE 3.96Å; M814-V1037 HydrophobicContact SD-CG2 4.29Å; M814-S1040 WeakPolarHBondContact O-CA 3.42Å; M814-S1040 WeakPolarHBondContact O-CB 3.5Å; M814-K1041 PolarHBondContact O-N 3.17Å; M814-K1041 VanDerWaalsContact O-N 3.13Å | ||
| 815 | W | 88.9 | Confident | 87.9 | Confident | 38 Ų | 38 | 59.8 Ų | 59.8 | 14% | 0.144 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -85.6 | 154.9 | 172.3 | -63.2 | -39.5 | 0 | 0 | 0 | 111.6 | R791 D817 E818 V819 K1041 C1043 Y1045 | R791-W815 HydrophobicContact CB-CH2 4.43Å; W815-D817 VanDerWaalsContact C-N 3.32Å; W815-D817 WeakPolarHBondContact CB-OD1 3.45Å; W815-D817 PolarHBondContact O-N 3.15Å; W815-E818 HydrophobicContact CB-CG 4.12Å; W815-E818 HydrophobicContact CE3-CG 4.34Å; W815-E818 PolarHBondContact N-OE2 2.77Å; W815-E818 WeakPolarHBondContact O-CB 3.46Å; W815-E818 PolarHBondContact O-N 3.35Å; W815-V819 PolarHBondContact O-N 3.05Å; W815-K1041 CarbonylContact C-O 3.58Å; W815-K1041 VanDerWaalsContact CA-O 3.23Å; W815-K1041 WeakPolarHBondContact CA-O 3.2Å; W815-C1043 HydrophobicContact CB-CB 4.44Å; W815-C1043 HydrophobicContact CD2-CB 3.88Å; W815-C1043 HydrophobicContact CE3-CB 4.24Å; W815-C1043 HydrophobicContact CG-CB 3.99Å; W815-Y1045 HydrophobicContact CZ2-CD2 4.37Å |
| 816 | R | 88.1 | Confident | 88.1 | Confident | 139 Ų | 139 | 57.8 Ų | 57.8 | 53% | 0.525 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63 | -33.8 | -176.9 | -68.6 | -169.1 | -172.6 | 140.4 | 3.6 | 114.1 | E818 V819 K1041 D1042 | R816-E818 VanDerWaalsContact C-N 3.29Å; R816-V819 PolarHBondContact O-N 2.72Å; R816-K1041 PolarHBondContact N-O 3.29Å; R816-D1042 WeakPolarHBondContact CD-OD1 3.36Å; R816-D1042 IonicContact CZ-OD1 2.63Å; R816-D1042 IonicContact CZ-OD2 2.65Å; R816-D1042 VanDerWaalsContact CZ-OD2 3.22Å; R816-D1042 IonicContact NE-OD1 2.68Å; R816-D1042 IonicContact NH1-OD1 2.67Å; R816-D1042 PolarHBondContact NH1-OD1 3.46Å; R816-D1042 IonicContact NH1-OD2 3.33Å; R816-D1042 PolarHBondContact NH1-OD2 3.13Å; R816-D1042 IonicContact NH2-OD2 3.1Å; R816-D1042 PolarHBondContact NH2-OD2 2.7Å |
| 817 | D | 83.7 | Confident | 88.3 | Confident | 88 Ų | 88 | 60 Ų | 60 | 47% | 0.471 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.4 | -27.2 | 173.1 | 64.8 | -46 | 0 | 0 | 0 | 112.4 | W815 M1046 | W815-D817 VanDerWaalsContact C-N 3.32Å; W815-D817 WeakPolarHBondContact CB-OD1 3.45Å; W815-D817 PolarHBondContact O-N 3.15Å; D817-M1046 HydrophobicContact CB-CE 4.15Å; D817-M1046 WeakPolarHBondContact OD2-CE 3.09Å |
| 818 | E | 85.7 | Confident | 88.7 | Confident | 23 Ų | 23 | 58.3 Ų | 58.3 | 11% | 0.107 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -77.2 | -21.1 | 176 | -65.6 | 177.9 | 143.8 | 0 | 0 | 113.7 | R811 M814 W815 R816 H997 | R811-E818 IonicContact CZ-OE1 3.77Å; R811-E818 IonicContact CZ-OE2 2.68Å; R811-E818 IonicContact NH1-OE1 3.92Å; R811-E818 IonicContact NH1-OE2 3.27Å; R811-E818 PolarHBondContact NH1-OE2 3.23Å; R811-E818 IonicContact NH2-OE1 2.94Å; R811-E818 PolarHBondContact NH2-OE1 3.07Å; R811-E818 IonicContact NH2-OE2 3.45Å; R811-E818 PolarHBondContact NH2-OE2 3.46Å; M814-E818 HydrophobicContact CG-CB 3.83Å; W815-E818 HydrophobicContact CB-CG 4.12Å; W815-E818 HydrophobicContact CE3-CG 4.34Å; W815-E818 PolarHBondContact N-OE2 2.77Å; W815-E818 WeakPolarHBondContact O-CB 3.46Å; W815-E818 PolarHBondContact O-N 3.35Å; R816-E818 VanDerWaalsContact C-N 3.29Å; E818-H997 WeakPolarHBondContact CA-ND1 3.23Å; E818-H997 WeakPolarHBondContact CB-ND1 3.42Å; E818-H997 WeakPolarHBondContact O-CA 3.46Å; E818-H997 WeakPolarHBondContact O-CB 3.39Å; E818-H997 PolarHBondContact O-N 3.18Å; E818-H997 PolarHBondContact O-ND1 2.93Å |
| 819 | V | 87.6 | Confident | 89.1 | Confident | 28 Ų | 28 | 58.6 Ų | 58.6 | 17% | 0.17 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.2 | -48.8 | -175.7 | 167.7 | 0 | 0 | 0 | 0 | 112.2 | M814 W815 R816 H997 V1037 | M814-V819 HydrophobicContact CG-CG2 4.13Å; M814-V819 HydrophobicContact SD-CB 4.5Å; M814-V819 HydrophobicContact SD-CG2 3.94Å; W815-V819 PolarHBondContact O-N 3.05Å; R816-V819 PolarHBondContact O-N 2.72Å; V819-H997 PolarHBondContact O-N 3.05Å; V819-V1037 HydrophobicContact CG1-CG1 3.63Å; V819-V1037 HydrophobicContact CG1-CG2 4.45Å; V819-V1037 HydrophobicContact CG2-CG1 4.33Å |
| 820 | L | 88.3 | Confident | 89.6 | Confident | 131 Ų | 131 | 58.3 Ų | 58.3 | 69% | 0.686 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -77.3 | 131.7 | -171.2 | -66.2 | 176.9 | 0 | 0 | 0 | 111.3 | ||
| 821 | P | 90.1 | Very high | 90.1 | Very high | 13 Ų | 13 | 54.5 Ų | 54.5 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 148.8 | 172.9 | 32.2 | -36.3 | 0 | 0 | 0 | 111.1 | K827 A995 H997 | P821-K827 HydrophobicContact CG-CD 4.33Å; P821-K827 HydrophobicContact CG-CG 4.18Å; P821-A995 HydrophobicContact CB-CB 3.87Å; P821-A995 HydrophobicContact CG-CB 3.93Å; P821-A995 WeakPolarHBondContact CG-O 3.28Å; P821-H997 VanDerWaalsContact CA-O 3.27Å; P821-H997 WeakPolarHBondContact CA-O 3.28Å; P821-H997 WeakPolarHBondContact CB-O 3.38Å |
| 822 | P | 89.9 | Confident | 90.4 | Very high | 38 Ų | 38 | 60.2 Ų | 60.2 | 25% | 0.247 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 147.5 | 178.2 | -23.7 | 32.9 | 0 | 0 | 0 | 112.6 | H824 Y825 H997 | P822-H824 PolarHBondContact O-N 3.1Å; P822-Y825 HydrophobicContact CB-CD2 3.85Å; P822-Y825 HydrophobicContact CB-CE2 4.2Å; P822-Y825 HydrophobicContact CG-CD2 3.91Å; P822-Y825 HydrophobicContact CG-CE2 3.88Å; P822-Y825 VanDerWaalsContact O-CB 3.28Å; P822-Y825 WeakPolarHBondContact O-CB 3.39Å; P822-Y825 PolarHBondContact O-N 3.32Å; P822-H997 WeakPolarHBondContact CD-O 3.37Å |
| 823 | D | 89.3 | Confident | 90.6 | Very high | 143 Ų | 143 | 59.9 Ų | 59.9 | 77% | 0.765 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -20.8 | -167.5 | -66.4 | -55.6 | 0 | 0 | 0 | 116.4 | Y825 K827 | D823-Y825 VanDerWaalsContact C-N 3.33Å; D823-K827 IonicContact OD1-NZ 2.8Å; D823-K827 PolarHBondContact OD1-NZ 2.97Å |
| 824 | H | 91.1 | Very high | 90.8 | Very high | 48 Ų | 48 | 59.8 Ų | 59.8 | 22% | 0.222 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -11.7 | 173 | 56.2 | -78.5 | 0 | 0 | 0 | 113.3 | P822 Q851 | P822-H824 PolarHBondContact O-N 3.1Å; H824-Q851 PolarHBondContact O-NE2 2.98Å; H824-Q851 PolarHBondContact O-OE1 3.47Å |
| 825 | Y | 93.7 | Very high | 90.9 | Very high | 7 Ų | 7 | 60.9 Ų | 60.9 | 3% | 0.027 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -74.3 | 134 | 176.6 | -84 | -130.5 | 0 | 0 | 0 | 111 | P822 D823 K827 R945 M948 R998 I1000 | P822-Y825 HydrophobicContact CB-CD2 3.85Å; P822-Y825 HydrophobicContact CB-CE2 4.2Å; P822-Y825 HydrophobicContact CG-CD2 3.91Å; P822-Y825 HydrophobicContact CG-CE2 3.88Å; P822-Y825 VanDerWaalsContact O-CB 3.28Å; P822-Y825 WeakPolarHBondContact O-CB 3.39Å; P822-Y825 PolarHBondContact O-N 3.32Å; D823-Y825 VanDerWaalsContact C-N 3.33Å; Y825-K827 PolarHBondContact O-N 3.24Å; Y825-R945 HydrophobicContact CE2-CG 4.42Å; Y825-M948 HydrophobicContact CD1-SD 4.37Å; Y825-M948 HydrophobicContact CD2-CE 3.8Å; Y825-M948 HydrophobicContact CD2-CG 4.45Å; Y825-M948 HydrophobicContact CD2-SD 4.14Å; Y825-M948 HydrophobicContact CE1-CB 4.11Å; Y825-M948 HydrophobicContact CE1-CG 4.11Å; Y825-M948 HydrophobicContact CE1-SD 4.36Å; Y825-M948 HydrophobicContact CE2-CE 3.95Å; Y825-M948 HydrophobicContact CE2-CG 3.86Å; Y825-M948 HydrophobicContact CE2-SD 4.15Å; Y825-M948 HydrophobicContact CG-CE 4.39Å; Y825-M948 HydrophobicContact CG-SD 4.26Å; Y825-R998 VanDerWaalsContact CE1-C 3.48Å; Y825-R998 VanDerWaalsContact CE1-O 3.24Å; Y825-R998 WeakPolarHBondContact CE1-O 3.49Å; Y825-R998 PolarHBondContact OH-O 2.86Å; Y825-I1000 HydrophobicContact CD1-CD1 3.88Å; Y825-I1000 HydrophobicContact CD1-CG1 3.6Å; Y825-I1000 HydrophobicContact CE1-CD1 4.23Å; Y825-I1000 HydrophobicContact CE1-CG1 3.95Å |
| 826 | P | 93.6 | Very high | 91 | Very high | 21 Ų | 21 | 60.3 Ų | 60.3 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | trans | -68.2 | 121 | 174.9 | 27.4 | -32.9 | 0 | 0 | 0 | 109.8 | I831 L848 V992 I1000 | P826-I831 HydrophobicContact CB-CG2 3.73Å; P826-I831 HydrophobicContact CG-CG2 3.64Å; P826-L848 HydrophobicContact CG-CD1 3.81Å; P826-V992 HydrophobicContact CB-CG2 4.35Å; P826-V992 HydrophobicContact CG-CG2 4.25Å; P826-I1000 HydrophobicContact CG-CD1 3.96Å | ||
| 827 | K | 89.9 | Confident | 91.1 | Very high | 103 Ų | 103 | 55.5 Ų | 55.5 | 45% | 0.448 | 29% | 0.293 | S | S | . | . | trans | -86.9 | -18.9 | -176.9 | -56.3 | -178.4 | -172.9 | 179.3 | 0 | 112.4 | P821 D823 Y825 | P821-K827 HydrophobicContact CG-CD 4.33Å; P821-K827 HydrophobicContact CG-CG 4.18Å; D823-K827 IonicContact OD1-NZ 2.8Å; D823-K827 PolarHBondContact OD1-NZ 2.97Å; Y825-K827 PolarHBondContact O-N 3.24Å | ||
| 828 | N | 90.7 | Very high | 91.5 | Very high | 128 Ų | 128 | 51.7 Ų | 51.7 | 68% | 0.684 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -160 | 178.6 | 172 | 58.1 | 50.3 | 0 | 0 | 0 | 110.3 | ||
| 829 | G | 94 | Very high | 91.8 | Very high | 33 Ų | 33 | 53 Ų | 53 | 34% | 0.34 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 94.8 | -177.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | V991 V992 | G829-V991 WeakPolarHBondContact O-CA 3.49Å; G829-V992 PolarHBondContact O-N 2.83Å |
| 830 | L | 95.5 | Very high | 92 | Very high | 116 Ų | 116 | 52.5 Ų | 52.5 | 61% | 0.607 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 131.3 | 175.6 | -179 | 71.2 | 0 | 0 | 0 | 109.9 | H989 V991 | L830-H989 HydrophobicContact CD1-CB 4.28Å; L830-V991 HydrophobicContact CD1-CG2 4.04Å |
| 831 | I | 96.1 | Very high | 92.3 | Very high | 11 Ų | 11 | 46.3 Ų | 46.3 | 6% | 0.056 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 143.1 | 176.9 | 56.2 | 164.5 | 0 | 0 | 0 | 110.9 | P826 F833 L848 L950 H989 A990 V992 I1000 | P826-I831 HydrophobicContact CB-CG2 3.73Å; P826-I831 HydrophobicContact CG-CG2 3.64Å; I831-F833 HydrophobicContact CD1-CD1 4.02Å; I831-F833 HydrophobicContact CD1-CE1 4.25Å; I831-F833 HydrophobicContact CG1-CD1 4.14Å; I831-F833 HydrophobicContact CG1-CE1 4.37Å; I831-L848 HydrophobicContact CB-CD2 4.2Å; I831-L848 HydrophobicContact CD1-CD2 4.08Å; I831-L950 HydrophobicContact CD1-CD1 3.63Å; I831-H989 VanDerWaalsContact O-CA 3.22Å; I831-H989 WeakPolarHBondContact O-CA 3.16Å; I831-H989 WeakPolarHBondContact O-CB 3.4Å; I831-A990 HydrophobicContact CG1-CB 4.36Å; I831-A990 VanDerWaalsContact CG1-O 3.3Å; I831-A990 WeakPolarHBondContact CG1-O 3.48Å; I831-A990 PolarHBondContact N-O 2.87Å; I831-A990 PolarHBondContact O-N 3.3Å; I831-A990 VanDerWaalsContact O-N 3.16Å; I831-V992 HydrophobicContact CD1-CG2 3.85Å; I831-V992 HydrophobicContact CG1-CG2 3.99Å; I831-V992 HydrophobicContact CG2-CG2 3.78Å; I831-I1000 HydrophobicContact CD1-CG2 4.38Å |
| 832 | R | 95.3 | Very high | 92.5 | Very high | 126 Ų | 126 | 46.1 Ų | 46.1 | 48% | 0.475 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 133.1 | 169.8 | -59.2 | -179.5 | -72.1 | -152.4 | 3.8 | 110.1 | S849 D850 F988 H989 | R832-S849 PolarHBondContact O-N 3.18Å; R832-D850 WeakPolarHBondContact CB-OD2 3.2Å; R832-D850 IonicContact CZ-OD1 2.68Å; R832-D850 VanDerWaalsContact CZ-OD1 3.29Å; R832-D850 IonicContact CZ-OD2 3.56Å; R832-D850 IonicContact NE-OD1 3.69Å; R832-D850 PolarHBondContact NE-OD1 3.42Å; R832-D850 VanDerWaalsContact NE-OD1 3.14Å; R832-D850 IonicContact NE-OD2 2.74Å; R832-D850 PolarHBondContact NE-OD2 3.49Å; R832-D850 IonicContact NH2-OD1 3.78Å; R832-D850 PolarHBondContact NH2-OD1 3.18Å; R832-D850 IonicContact NH2-OD2 3.23Å; R832-F988 WeakPolarHBondContact CA-O 3.18Å; R832-H989 HydrophobicContact CG-CB 4.42Å |
| 833 | F | 94.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 162.3 | -172.2 | 60.5 | -91.3 | 0 | 0 | 0 | 113.8 | I831 V835 V846 R847 L848 L950 F988 A990 I1005 | I831-F833 HydrophobicContact CD1-CD1 4.02Å; I831-F833 HydrophobicContact CD1-CE1 4.25Å; I831-F833 HydrophobicContact CG1-CD1 4.14Å; I831-F833 HydrophobicContact CG1-CE1 4.37Å; F833-V835 HydrophobicContact CD2-CG2 4.22Å; F833-V835 HydrophobicContact CE2-CG2 3.94Å; F833-V846 HydrophobicContact CB-CB 4.17Å; F833-V846 HydrophobicContact CB-CG2 4.45Å; F833-V846 HydrophobicContact CD2-CB 3.66Å; F833-V846 HydrophobicContact CD2-CG1 3.48Å; F833-V846 VanDerWaalsContact CD2-CG1 3.48Å; F833-V846 HydrophobicContact CD2-CG2 4.36Å; F833-V846 HydrophobicContact CE2-CB 4.33Å; F833-V846 HydrophobicContact CE2-CG1 3.65Å; F833-V846 HydrophobicContact CG-CB 4.12Å; F833-V846 HydrophobicContact CG-CG1 4.33Å; F833-V846 HydrophobicContact CG-CG2 4.43Å; F833-R847 CarbonylContact C-O 3.32Å; F833-R847 WeakPolarHBondContact CA-O 3.23Å; F833-R847 VanDerWaalsContact CB-O 3.31Å; F833-R847 WeakPolarHBondContact CB-O 3.32Å; F833-L848 HydrophobicContact CB-CD2 4.18Å; F833-L950 HydrophobicContact CD1-CD1 4.28Å; F833-L950 HydrophobicContact CE1-CD1 3.91Å; F833-L950 HydrophobicContact CZ-CD1 4.03Å; F833-L950 HydrophobicContact CZ-CD2 4.32Å; F833-F988 WeakPolarHBondContact CD1-O 3.34Å; F833-F988 HydrophobicContact CD2-CB 4.06Å; F833-F988 HydrophobicContact CE1-CB 4.44Å; F833-F988 HydrophobicContact CE2-CB 3.65Å; F833-F988 HydrophobicContact CZ-CB 3.87Å; F833-F988 PolarHBondContact N-O 3.45Å; F833-F988 PolarHBondContact O-N 2.83Å; F833-A990 HydrophobicContact CE1-CB 3.78Å; F833-A990 HydrophobicContact CZ-CB 4.34Å; F833-I1005 HydrophobicContact CE2-CG2 4.3Å; F833-I1005 HydrophobicContact CZ-CD1 4.15Å; F833-I1005 HydrophobicContact CZ-CG1 4.18Å; F833-I1005 HydrophobicContact CZ-CG2 3.71Å |
| 834 | L | 92.2 | Very high | 93 | Very high | 18 Ų | 18 | 38.2 Ų | 38.2 | 9% | 0.094 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 132 | 170.2 | -177.5 | 60.4 | 0 | 0 | 0 | 108.5 | L836 V846 R847 P862 R986 | L834-L836 PolarHBondContact O-N 2.85Å; L834-V846 CarbonylContact O-C 3.53Å; L834-V846 VanDerWaalsContact O-CA 3.31Å; L834-V846 WeakPolarHBondContact O-CA 3.49Å; L834-R847 PolarHBondContact N-O 2.74Å; L834-R847 PolarHBondContact O-N 2.62Å; L834-P862 HydrophobicContact CD2-CB 3.68Å; L834-P862 HydrophobicContact CD2-CG 3.57Å; L834-R986 WeakPolarHBondContact CD1-O 3.32Å |
| 835 | V | 91.8 | Very high | 93.2 | Very high | 26 Ų | 26 | 36 Ų | 36 | 16% | 0.158 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 118.5 | 174.2 | 179.3 | 0 | 0 | 0 | 0 | 109 | F833 L844 V846 F977 F988 | F833-V835 HydrophobicContact CD2-CG2 4.22Å; F833-V835 HydrophobicContact CE2-CG2 3.94Å; V835-L844 HydrophobicContact CG1-CD1 4.43Å; V835-L844 HydrophobicContact CG1-CD2 4.48Å; V835-L844 HydrophobicContact CG2-CD1 4.02Å; V835-V846 HydrophobicContact CG2-CG1 4.4Å; V835-F977 HydrophobicContact CB-CD1 4.42Å; V835-F977 HydrophobicContact CG1-CD2 4.47Å; V835-F977 HydrophobicContact CG2-CD1 3.88Å; V835-F977 HydrophobicContact CG2-CE1 3.74Å; V835-F977 HydrophobicContact CG2-CZ 4.31Å; V835-F988 HydrophobicContact CG2-CD2 3.85Å; V835-F988 HydrophobicContact CG2-CE2 4.24Å; V835-F988 HydrophobicContact CG2-CG 4.32Å |
| 836 | L | 89.9 | Confident | 93.3 | Very high | 26 Ų | 26 | 35.6 Ų | 35.6 | 14% | 0.136 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -53.1 | 176.4 | -56.6 | 173.4 | 0 | 0 | 0 | 109.9 | L834 A845 R847 F861 T921 A947 | L834-L836 PolarHBondContact O-N 2.85Å; L836-A845 HydrophobicContact CB-CB 4.44Å; L836-A845 WeakPolarHBondContact CB-O 3.48Å; L836-A845 PolarHBondContact N-O 2.92Å; L836-R847 HydrophobicContact CD1-CB 4.06Å; L836-R847 HydrophobicContact CD2-CB 4.18Å; L836-R847 HydrophobicContact CG-CB 4.21Å; L836-F861 HydrophobicContact CD2-CZ 4.25Å; L836-T921 WeakPolarHBondContact CB-O 3.31Å; L836-A947 HydrophobicContact CD1-CB 3.85Å |
| 837 | V | 90.5 | Very high | 93.3 | Very high | 38 Ų | 38 | 34.8 Ų | 34.8 | 23% | 0.23 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 142.8 | -179.6 | -166.3 | 0 | 0 | 0 | 0 | 110.1 | Y839 L844 A845 | V837-Y839 HydrophobicContact CB-CD1 4.29Å; V837-Y839 HydrophobicContact CB-CE1 3.7Å; V837-Y839 HydrophobicContact CG1-CD1 3.69Å; V837-Y839 HydrophobicContact CG1-CE1 3.44Å; V837-Y839 VanDerWaalsContact CG1-CE1 3.44Å; V837-Y839 HydrophobicContact CG2-CE1 4.49Å; V837-L844 CarbonylContact O-C 3.43Å; V837-L844 WeakPolarHBondContact O-CA 3.49Å; V837-A845 HydrophobicContact CB-CB 4.22Å; V837-A845 HydrophobicContact CG2-CB 4.49Å; V837-A845 PolarHBondContact N-O 2.9Å; V837-A845 PolarHBondContact O-N 2.83Å |
| 838 | C | 92.3 | Very high | 93.5 | Very high | 8 Ų | 8 | 30.2 Ų | 30.2 | 5% | 0.054 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 101.5 | 173.7 | 168.3 | 0 | 0 | 0 | 0 | 108.6 | L844 R969 F977 | C838-L844 HydrophobicContact CB-CD2 3.8Å; C838-R969 VanDerWaalsContact O-CD 3.26Å; C838-R969 WeakPolarHBondContact O-CD 3.02Å; C838-R969 VanDerWaalsContact O-CG 3.27Å; C838-R969 WeakPolarHBondContact O-CG 3.42Å; C838-F977 HydrophobicContact CB-CD2 4.1Å; C838-F977 HydrophobicContact CB-CE2 4Å |
| 839 | Y | 91.6 | Very high | 93.6 | Very high | 52 Ų | 52 | 24.9 Ų | 24.9 | 20% | 0.204 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | -36.1 | -179.4 | -49.5 | -52.1 | 0 | 0 | 0 | 112.2 | V837 A843 A845 S922 T923 E924 R969 | V837-Y839 HydrophobicContact CB-CD1 4.29Å; V837-Y839 HydrophobicContact CB-CE1 3.7Å; V837-Y839 HydrophobicContact CG1-CD1 3.69Å; V837-Y839 HydrophobicContact CG1-CE1 3.44Å; V837-Y839 VanDerWaalsContact CG1-CE1 3.44Å; V837-Y839 HydrophobicContact CG2-CE1 4.49Å; Y839-A843 WeakPolarHBondContact CB-O 3.42Å; Y839-A843 PolarHBondContact N-O 3.46Å; Y839-A845 HydrophobicContact CE2-CB 3.96Å; Y839-A845 VanDerWaalsContact OH-CB 3.23Å; Y839-A845 WeakPolarHBondContact OH-CB 3.32Å; Y839-S922 PolarHBondContact OH-OG 2.88Å; Y839-T923 WeakPolarHBondContact CE2-OG1 3.23Å; Y839-T923 WeakPolarHBondContact OH-CA 3.46Å; Y839-T923 PolarHBondContact OH-N 3.27Å; Y839-T923 PolarHBondContact OH-OG1 2.99Å; Y839-E924 HydrophobicContact CD1-CG 4.21Å; Y839-E924 HydrophobicContact CE1-CG 3.5Å; Y839-E924 PolarHBondContact OH-N 3.09Å; Y839-R969 WeakPolarHBondContact O-CD 3.44Å; Y839-R969 WeakPolarHBondContact O-CG 3.43Å |
| 840 | S | 92.9 | Very high | 93.4 | Very high | 16 Ų | 16 | 27.9 Ų | 27.9 | 11% | 0.112 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 170.2 | 175 | 76.5 | 0 | 0 | 0 | 0 | 110.3 | A842 A843 W964 | S840-A842 PolarHBondContact O-N 2.89Å; S840-A842 PolarHBondContact OG-N 3.27Å; S840-A843 PolarHBondContact N-O 2.99Å; S840-A843 PolarHBondContact O-N 3.48Å; S840-A843 PolarHBondContact OG-N 3.24Å; S840-A843 VanDerWaalsContact OG-N 3.12Å; S840-W964 VanDerWaalsContact CB-CD1 3.49Å |
| 841 | P | 93.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -18.9 | 168.8 | -30.5 | 39.2 | 0 | 0 | 0 | 115.7 | W964 A968 V972 V1017 | P841-W964 HydrophobicContact CB-CD2 4.18Å; P841-W964 HydrophobicContact CB-CE3 4.05Å; P841-W964 HydrophobicContact CB-CH2 4Å; P841-W964 HydrophobicContact CB-CZ2 4.16Å; P841-W964 HydrophobicContact CB-CZ3 3.95Å; P841-W964 HydrophobicContact CG-CD2 3.86Å; P841-W964 HydrophobicContact CG-CE3 3.59Å; P841-W964 HydrophobicContact CG-CG 4.4Å; P841-W964 HydrophobicContact CG-CH2 4.43Å; P841-W964 HydrophobicContact CG-CZ3 3.89Å; P841-A968 HydrophobicContact CG-CB 3.94Å; P841-V972 HydrophobicContact CB-CG2 4.05Å; P841-V972 HydrophobicContact CG-CG2 3.97Å; P841-V1017 HydrophobicContact CB-CG1 3.98Å; P841-V1017 HydrophobicContact CB-CG2 3.8Å |
| 842 | A | 94.4 | Very high | 92.9 | Very high | 9 Ų | 9 | 27.2 Ų | 27.2 | 7% | 0.074 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | -1.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | S840 R951 I952 L955 W964 | S840-A842 PolarHBondContact O-N 2.89Å; S840-A842 PolarHBondContact OG-N 3.27Å; A842-R951 CarbonylContact O-C 3.58Å; A842-R951 VanDerWaalsContact O-CA 3.25Å; A842-R951 WeakPolarHBondContact O-CA 3.47Å; A842-I952 PolarHBondContact O-N 3.18Å; A842-L955 HydrophobicContact CB-CB 4.01Å; A842-L955 HydrophobicContact CB-CD2 3.93Å; A842-L955 HydrophobicContact CB-CG 3.94Å; A842-L955 VanDerWaalsContact CB-O 3.26Å; A842-L955 WeakPolarHBondContact CB-O 3.42Å; A842-W964 HydrophobicContact CB-CZ2 4.17Å |
| 843 | A | 94.8 | Very high | 92.7 | Very high | 14 Ų | 14 | 24.4 Ų | 24.4 | 12% | 0.116 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 130.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y839 S840 R951 | Y839-A843 WeakPolarHBondContact CB-O 3.42Å; Y839-A843 PolarHBondContact N-O 3.46Å; S840-A843 PolarHBondContact N-O 2.99Å; S840-A843 PolarHBondContact O-N 3.48Å; S840-A843 PolarHBondContact OG-N 3.24Å; S840-A843 VanDerWaalsContact OG-N 3.12Å; A843-R951 HydrophobicContact CB-CG 4Å |
| 844 | L | 95.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 153.3 | -172.1 | -48.8 | 176.2 | 0 | 0 | 0 | 110.7 | V835 V837 C838 V846 L950 F977 I1005 | V835-L844 HydrophobicContact CG1-CD1 4.43Å; V835-L844 HydrophobicContact CG1-CD2 4.48Å; V835-L844 HydrophobicContact CG2-CD1 4.02Å; V837-L844 CarbonylContact O-C 3.43Å; V837-L844 WeakPolarHBondContact O-CA 3.49Å; C838-L844 HydrophobicContact CB-CD2 3.8Å; L844-V846 HydrophobicContact CB-CG1 3.9Å; L844-V846 HydrophobicContact CD1-CG1 4.28Å; L844-L950 HydrophobicContact CD1-CD2 4.46Å; L844-L950 PolarHBondContact N-O 2.87Å; L844-L950 PolarHBondContact O-N 3.4Å; L844-F977 HydrophobicContact CD1-CE1 4.22Å; L844-F977 HydrophobicContact CD1-CE2 4.36Å; L844-F977 HydrophobicContact CD1-CZ 3.62Å; L844-F977 HydrophobicContact CD2-CE2 3.63Å; L844-F977 HydrophobicContact CD2-CZ 3.72Å; L844-F977 HydrophobicContact CG-CZ 4.34Å; L844-I1005 HydrophobicContact CD1-CD1 3.44Å; L844-I1005 VanDerWaalsContact CD1-CD1 3.44Å; L844-I1005 HydrophobicContact CG-CD1 4.48Å |
| 845 | A | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 130.1 | 152.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | L836 V837 Y839 T923 M948 | L836-A845 HydrophobicContact CB-CB 4.44Å; L836-A845 WeakPolarHBondContact CB-O 3.48Å; L836-A845 PolarHBondContact N-O 2.92Å; V837-A845 HydrophobicContact CB-CB 4.22Å; V837-A845 HydrophobicContact CG2-CB 4.49Å; V837-A845 PolarHBondContact N-O 2.9Å; V837-A845 PolarHBondContact O-N 2.83Å; Y839-A845 HydrophobicContact CE2-CB 3.96Å; Y839-A845 VanDerWaalsContact OH-CB 3.23Å; Y839-A845 WeakPolarHBondContact OH-CB 3.32Å; A845-T923 HydrophobicContact CB-CG2 4.37Å; A845-M948 WeakPolarHBondContact CA-O 3.45Å |
| 846 | V | 95 | Very high | 92 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 157.4 | -177.5 | -55.8 | 0 | 0 | 0 | 0 | 111 | F833 L834 V835 L844 M948 L950 | F833-V846 HydrophobicContact CB-CB 4.17Å; F833-V846 HydrophobicContact CB-CG2 4.45Å; F833-V846 HydrophobicContact CD2-CB 3.66Å; F833-V846 HydrophobicContact CD2-CG1 3.48Å; F833-V846 VanDerWaalsContact CD2-CG1 3.48Å; F833-V846 HydrophobicContact CD2-CG2 4.36Å; F833-V846 HydrophobicContact CE2-CB 4.33Å; F833-V846 HydrophobicContact CE2-CG1 3.65Å; F833-V846 HydrophobicContact CG-CB 4.12Å; F833-V846 HydrophobicContact CG-CG1 4.33Å; F833-V846 HydrophobicContact CG-CG2 4.43Å; L834-V846 CarbonylContact O-C 3.53Å; L834-V846 VanDerWaalsContact O-CA 3.31Å; L834-V846 WeakPolarHBondContact O-CA 3.49Å; V835-V846 HydrophobicContact CG2-CG1 4.4Å; L844-V846 HydrophobicContact CB-CG1 3.9Å; L844-V846 HydrophobicContact CD1-CG1 4.28Å; V846-M948 HydrophobicContact CG2-CB 4.25Å; V846-M948 PolarHBondContact N-O 2.69Å; V846-M948 PolarHBondContact O-N 3.22Å; V846-L950 HydrophobicContact CB-CB 4.5Å; V846-L950 HydrophobicContact CG1-CB 3.98Å; V846-L950 HydrophobicContact CG1-CD1 4.47Å; V846-L950 HydrophobicContact CG2-CB 3.66Å; V846-L950 HydrophobicContact CG2-CD1 3.96Å; V846-L950 HydrophobicContact CG2-CG 4.43Å |
| 847 | R | 94.4 | Very high | 91.7 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 126.7 | 168.1 | -177.9 | 168.6 | 79.3 | -169.7 | -2.9 | 110.5 | F833 L834 L836 S849 F852 T854 M863 S864 E946 | F833-R847 CarbonylContact C-O 3.32Å; F833-R847 WeakPolarHBondContact CA-O 3.23Å; F833-R847 VanDerWaalsContact CB-O 3.31Å; F833-R847 WeakPolarHBondContact CB-O 3.32Å; L834-R847 PolarHBondContact N-O 2.74Å; L834-R847 PolarHBondContact O-N 2.62Å; L836-R847 HydrophobicContact CD1-CB 4.06Å; L836-R847 HydrophobicContact CD2-CB 4.18Å; L836-R847 HydrophobicContact CG-CB 4.21Å; R847-S849 PolarHBondContact O-N 3.16Å; R847-F852 HydrophobicContact CG-CB 3.62Å; R847-F852 HydrophobicContact CG-CD2 4.28Å; R847-F852 HydrophobicContact CG-CG 4.37Å; R847-F852 PolarHBondContact NE-O 2.85Å; R847-F852 VanDerWaalsContact NE-O 3.09Å; R847-T854 PolarHBondContact NH2-OG1 2.94Å; R847-M863 PolarHBondContact NH2-O 2.85Å; R847-S864 VanDerWaalsContact NH1-N 3.19Å; R847-E946 WeakPolarHBondContact CD-OE2 3.35Å; R847-E946 HydrophobicContact CG-CB 4.19Å; R847-E946 IonicContact CZ-OE2 3.78Å; R847-E946 IonicContact NE-OE2 3.54Å; R847-E946 IonicContact NH1-OE2 2.66Å; R847-E946 PolarHBondContact NH1-OE2 3.1Å |
| 848 | L | 94.7 | Very high | 91.2 | Very high | 7 Ų | 7 | 33.7 Ų | 33.7 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 115.9 | 178.5 | -57.8 | -176.3 | 0 | 0 | 0 | 110.1 | P826 I831 F833 D850 Q851 F852 M948 | P826-L848 HydrophobicContact CG-CD1 3.81Å; I831-L848 HydrophobicContact CB-CD2 4.2Å; I831-L848 HydrophobicContact CD1-CD2 4.08Å; F833-L848 HydrophobicContact CB-CD2 4.18Å; L848-D850 VanDerWaalsContact C-N 3.27Å; L848-D850 PolarHBondContact O-N 2.87Å; L848-Q851 HydrophobicContact CB-CB 4.28Å; L848-Q851 HydrophobicContact CB-CG 4.42Å; L848-Q851 HydrophobicContact CD1-CG 4.48Å; L848-Q851 PolarHBondContact O-N 3.03Å; L848-F852 PolarHBondContact O-N 2.95Å; L848-M948 HydrophobicContact CD1-CE 3.78Å; L848-M948 HydrophobicContact CD1-SD 3.58Å; L848-M948 VanDerWaalsContact CD1-SD 3.58Å; L848-M948 HydrophobicContact CD2-SD 4.39Å; L848-M948 HydrophobicContact CG-CE 4.19Å; L848-M948 HydrophobicContact CG-SD 3.72Å |
| 849 | S | 91.2 | Very high | 90.6 | Very high | 16 Ų | 16 | 38.5 Ų | 38.5 | 11% | 0.112 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -22.1 | -173.3 | -64.9 | 0 | 0 | 0 | 0 | 113.2 | R832 R847 | R832-S849 PolarHBondContact O-N 3.18Å; R847-S849 PolarHBondContact O-N 3.16Å |
| 850 | D | 90 | Very high | 90 | Very high | 95 Ų | 95 | 41.9 Ų | 41.9 | 51% | 0.508 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -19.6 | 178 | -64.2 | -47.6 | 0 | 0 | 0 | 113.5 | R832 L848 | R832-D850 WeakPolarHBondContact CB-OD2 3.2Å; R832-D850 IonicContact CZ-OD1 2.68Å; R832-D850 VanDerWaalsContact CZ-OD1 3.29Å; R832-D850 IonicContact CZ-OD2 3.56Å; R832-D850 IonicContact NE-OD1 3.69Å; R832-D850 PolarHBondContact NE-OD1 3.42Å; R832-D850 VanDerWaalsContact NE-OD1 3.14Å; R832-D850 IonicContact NE-OD2 2.74Å; R832-D850 PolarHBondContact NE-OD2 3.49Å; R832-D850 IonicContact NH2-OD1 3.78Å; R832-D850 PolarHBondContact NH2-OD1 3.18Å; R832-D850 IonicContact NH2-OD2 3.23Å; L848-D850 VanDerWaalsContact C-N 3.27Å; L848-D850 PolarHBondContact O-N 2.87Å |
| 851 | Q | 90.3 | Very high | 89.4 | Confident | 86 Ų | 86 | 43.3 Ų | 43.3 | 40% | 0.402 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -40.8 | 175.3 | -66.3 | -177.5 | -3.2 | 0 | 0 | 112 | H824 L848 P853 | H824-Q851 PolarHBondContact O-NE2 2.98Å; H824-Q851 PolarHBondContact O-OE1 3.47Å; L848-Q851 HydrophobicContact CB-CB 4.28Å; L848-Q851 HydrophobicContact CB-CG 4.42Å; L848-Q851 HydrophobicContact CD1-CG 4.48Å; L848-Q851 PolarHBondContact O-N 3.03Å; Q851-P853 WeakPolarHBondContact O-CD 3.38Å |
| 852 | F | 92.1 | Very high | 89 | Confident | 28 Ų | 28 | 44 Ų | 44 | 12% | 0.123 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -128 | 76.4 | -172.5 | -50.4 | -68.4 | 0 | 0 | 0 | 109.7 | R847 L848 P944 E946 M948 | R847-F852 HydrophobicContact CG-CB 3.62Å; R847-F852 HydrophobicContact CG-CD2 4.28Å; R847-F852 HydrophobicContact CG-CG 4.37Å; R847-F852 PolarHBondContact NE-O 2.85Å; R847-F852 VanDerWaalsContact NE-O 3.09Å; L848-F852 PolarHBondContact O-N 2.95Å; F852-P944 HydrophobicContact CE1-CG 3.93Å; F852-P944 HydrophobicContact CZ-CB 4.47Å; F852-P944 HydrophobicContact CZ-CG 3.97Å; F852-E946 HydrophobicContact CB-CG 4.23Å; F852-E946 HydrophobicContact CD1-CG 3.83Å; F852-E946 HydrophobicContact CD2-CB 4.42Å; F852-E946 HydrophobicContact CD2-CG 4.39Å; F852-E946 HydrophobicContact CE1-CG 4.3Å; F852-E946 HydrophobicContact CG-CB 4.3Å; F852-E946 HydrophobicContact CG-CG 3.89Å; F852-M948 HydrophobicContact CE2-CE 4.05Å |
| 853 | P | 90.6 | Very high | 88.6 | Confident | 67 Ų | 67 | 44.2 Ų | 44.2 | 44% | 0.435 | 24% | 0.236 | S | C | . | . | trans | -62.5 | 162 | -179.2 | 26.9 | -35.1 | 0 | 0 | 0 | 112 | Q851 A855 | Q851-P853 WeakPolarHBondContact O-CD 3.38Å; P853-A855 PolarHBondContact O-N 3.34Å | ||
| 854 | T | 89 | Confident | 88.5 | Confident | 45 Ų | 45 | 43.7 Ų | 43.7 | 28% | 0.276 | 23% | 0.231 | S | C | . | . | trans | -90.3 | 105 | 176.8 | -57.7 | 0 | 0 | 0 | 0 | 109.8 | R847 P862 M863 | R847-T854 PolarHBondContact NH2-OG1 2.94Å; T854-P862 HydrophobicContact CG2-CB 3.56Å; T854-M863 CarbonylContact C-O 3.54Å; T854-M863 WeakPolarHBondContact CA-O 3.41Å | ||
| 855 | A | 87.9 | Confident | 88.4 | Confident | 49 Ų | 49 | 48 Ų | 48 | 41% | 0.405 | 25% | 0.254 | S | S | . | . | trans | -75.8 | -47.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P853 M863 D865 | P853-A855 PolarHBondContact O-N 3.34Å; A855-M863 PolarHBondContact N-O 2.95Å; A855-D865 WeakPolarHBondContact CB-OD1 3.48Å | ||
| 856 | I | 86.9 | Confident | 88.3 | Confident | 66 Ų | 66 | 48.6 Ų | 48.6 | 34% | 0.338 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 162.5 | -174.8 | -164.9 | 165.2 | 0 | 0 | 0 | 111.8 | M863 E868 | I856-M863 HydrophobicContact CG2-CB 4.01Å; I856-M863 HydrophobicContact CG2-CE 3.7Å; I856-M863 PolarHBondContact N-O 2.87Å; I856-M863 PolarHBondContact O-N 3.36Å; I856-E868 VanDerWaalsContact CD1-OE1 3.26Å; I856-E868 WeakPolarHBondContact CD1-OE1 3.34Å; I856-E868 HydrophobicContact CG2-CB 3.99Å; I856-E868 HydrophobicContact CG2-CG 4.25Å |
| 857 | R | 82.7 | Confident | 88.2 | Confident | 78 Ų | 78 | 49.2 Ų | 49.2 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 110.7 | 168.9 | -73 | -178.3 | 174.3 | -81 | -9.2 | 111.1 | N860 F861 R984 N985 | R857-N860 PolarHBondContact NH1-O 2.58Å; R857-F861 CarbonylContact C-O 3.59Å; R857-F861 VanDerWaalsContact CA-O 3.26Å; R857-F861 WeakPolarHBondContact CA-O 3.26Å; R857-R984 PolarHBondContact NH2-O 3.36Å; R857-N985 PolarHBondContact NE-OD1 2.87Å; R857-N985 PolarHBondContact NH2-OD1 3.19Å |
| 858 | F | 81.3 | Confident | 88.1 | Confident | 64 Ų | 64 | 50.5 Ų | 50.5 | 28% | 0.281 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 124.4 | 177.6 | 179.7 | -93.1 | 0 | 0 | 0 | 109.3 | N860 F861 M863 Q871 R899 | F858-N860 PolarHBondContact O-N 2.73Å; F858-F861 PolarHBondContact N-O 2.68Å; F858-F861 WeakPolarHBondContact O-CA 3.42Å; F858-F861 WeakPolarHBondContact O-CB 3.47Å; F858-F861 PolarHBondContact O-N 2.74Å; F858-M863 HydrophobicContact CB-CE 3.6Å; F858-M863 HydrophobicContact CB-CG 4.41Å; F858-M863 HydrophobicContact CB-SD 3.85Å; F858-M863 HydrophobicContact CG-CE 4.25Å; F858-M863 HydrophobicContact CG-SD 4.45Å; F858-Q871 HydrophobicContact CE2-CG 4.47Å; F858-Q871 HydrophobicContact CZ-CG 4.46Å; F858-R899 HydrophobicContact CD1-CG 3.65Å; F858-R899 HydrophobicContact CE1-CG 3.67Å |
| 859 | L | 79.9 | Confident | 88.1 | Confident | 110 Ų | 110 | 55.8 Ų | 55.8 | 58% | 0.576 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 39.9 | -172.3 | -55.5 | 177.3 | 0 | 0 | 0 | 112.8 | F861 N898 | L859-F861 PolarHBondContact O-N 3.31Å; L859-F861 VanDerWaalsContact O-N 3.16Å; L859-N898 HydrophobicContact CD1-CB 4.02Å |
| 860 | N | 77.8 | Confident | 88.2 | Confident | 123 Ų | 123 | 55.1 Ų | 55.1 | 66% | 0.658 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | -12.8 | -169.9 | -58.5 | -74.6 | 0 | 0 | 0 | 116.7 | R857 F858 | R857-N860 PolarHBondContact NH1-O 2.58Å; F858-N860 PolarHBondContact O-N 2.73Å |
| 861 | F | 80.1 | Confident | 88.5 | Confident | 45 Ų | 45 | 51 Ų | 51 | 20% | 0.197 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 131.4 | 177.5 | -167.1 | -84 | 0 | 0 | 0 | 111.6 | L836 R857 F858 L859 M863 T921 | L836-F861 HydrophobicContact CD2-CZ 4.25Å; R857-F861 CarbonylContact C-O 3.59Å; R857-F861 VanDerWaalsContact CA-O 3.26Å; R857-F861 WeakPolarHBondContact CA-O 3.26Å; F858-F861 PolarHBondContact N-O 2.68Å; F858-F861 WeakPolarHBondContact O-CA 3.42Å; F858-F861 WeakPolarHBondContact O-CB 3.47Å; F858-F861 PolarHBondContact O-N 2.74Å; L859-F861 PolarHBondContact O-N 3.31Å; L859-F861 VanDerWaalsContact O-N 3.16Å; F861-M863 HydrophobicContact CD1-CG 4.21Å; F861-M863 PolarHBondContact O-N 3.24Å; F861-T921 HydrophobicContact CE1-CG2 3.62Å; F861-T921 HydrophobicContact CZ-CG2 3.77Å |
| 862 | P | 84.5 | Confident | 88.6 | Confident | 15 Ų | 15 | 54.7 Ų | 54.7 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 117.5 | 179.5 | 30.4 | -32.1 | 0 | 0 | 0 | 112 | L834 T854 | L834-P862 HydrophobicContact CD2-CB 3.68Å; L834-P862 HydrophobicContact CD2-CG 3.57Å; T854-P862 HydrophobicContact CG2-CB 3.56Å |
| 863 | M | 87.9 | Confident | 88.8 | Confident | 15 Ų | 15 | 55.5 Ų | 55.5 | 7% | 0.074 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 160.4 | 175.8 | -54.4 | -163.6 | -47.8 | 0 | 0 | 111 | R847 T854 A855 I856 F858 F861 E868 Q871 | R847-M863 PolarHBondContact NH2-O 2.85Å; T854-M863 CarbonylContact C-O 3.54Å; T854-M863 WeakPolarHBondContact CA-O 3.41Å; A855-M863 PolarHBondContact N-O 2.95Å; I856-M863 HydrophobicContact CG2-CB 4.01Å; I856-M863 HydrophobicContact CG2-CE 3.7Å; I856-M863 PolarHBondContact N-O 2.87Å; I856-M863 PolarHBondContact O-N 3.36Å; F858-M863 HydrophobicContact CB-CE 3.6Å; F858-M863 HydrophobicContact CB-CG 4.41Å; F858-M863 HydrophobicContact CB-SD 3.85Å; F858-M863 HydrophobicContact CG-CE 4.25Å; F858-M863 HydrophobicContact CG-SD 4.45Å; F861-M863 HydrophobicContact CD1-CG 4.21Å; F861-M863 PolarHBondContact O-N 3.24Å; M863-E868 HydrophobicContact CE-CB 4.19Å; M863-Q871 HydrophobicContact CE-CB 4.23Å |
| 864 | S | 92.1 | Very high | 89 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.014 | 26% | 0.256 | C | S | . | . | trans | -97 | -179.7 | 170.7 | 59 | 0 | 0 | 0 | 0 | 110.4 | R847 L866 G867 E868 E946 | R847-S864 VanDerWaalsContact NH1-N 3.19Å; S864-L866 PolarHBondContact O-N 2.92Å; S864-L866 PolarHBondContact OG-N 2.51Å; S864-G867 PolarHBondContact O-N 3.31Å; S864-G867 PolarHBondContact OG-N 3Å; S864-E868 WeakPolarHBondContact O-CB 3.44Å; S864-E868 PolarHBondContact O-N 2.92Å; S864-E946 WeakPolarHBondContact CB-OE1 3.46Å; S864-E946 VanDerWaalsContact CB-OE2 3.29Å; S864-E946 WeakPolarHBondContact CB-OE2 3.5Å; S864-E946 PolarHBondContact OG-OE1 2.91Å; S864-E946 PolarHBondContact OG-OE2 3.22Å | ||
| 865 | D | 92.7 | Very high | 89.2 | Confident | 93 Ų | 93 | 53.7 Ų | 53.7 | 50% | 0.497 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.1 | -25.7 | 168.4 | -50.3 | -75.6 | 0 | 0 | 0 | 112.8 | A855 R869 | A855-D865 WeakPolarHBondContact CB-OD1 3.48Å; D865-R869 WeakPolarHBondContact O-CB 3.2Å; D865-R869 WeakPolarHBondContact O-CG 3.45Å; D865-R869 PolarHBondContact O-N 3.34Å; D865-R869 PolarHBondContact O-NE 3.12Å |
| 866 | L | 93.1 | Very high | 89.6 | Confident | 12 Ų | 12 | 56.5 Ų | 56.5 | 6% | 0.063 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -77.2 | -51.6 | 173.4 | 178.2 | 61.8 | 0 | 0 | 0 | 111 | S864 E868 R869 V870 F940 E946 | S864-L866 PolarHBondContact O-N 2.92Å; S864-L866 PolarHBondContact OG-N 2.51Å; L866-E868 VanDerWaalsContact C-N 3.25Å; L866-E868 PolarHBondContact O-N 2.88Å; L866-R869 PolarHBondContact O-N 3.24Å; L866-R869 VanDerWaalsContact O-N 3.1Å; L866-V870 HydrophobicContact CD1-CG2 4.21Å; L866-V870 WeakPolarHBondContact O-CG2 3.41Å; L866-V870 PolarHBondContact O-N 2.97Å; L866-F940 HydrophobicContact CD1-CD1 3.93Å; L866-E946 WeakPolarHBondContact CB-OE1 3.2Å |
| 867 | G | 92.1 | Very high | 89.8 | Confident | 13 Ų | 13 | 60.2 Ų | 60.2 | 13% | 0.134 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59 | -37 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S864 Q871 | S864-G867 PolarHBondContact O-N 3.31Å; S864-G867 PolarHBondContact OG-N 3Å; G867-Q871 WeakPolarHBondContact O-CB 3.45Å; G867-Q871 PolarHBondContact O-N 3.02Å |
| 868 | E | 93.1 | Very high | 90.3 | Very high | 31 Ų | 31 | 60.5 Ų | 60.5 | 15% | 0.145 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.8 | -44.9 | 172.4 | 178.5 | 162.2 | -133.7 | 0 | 0 | 112.9 | I856 M863 S864 L866 V870 Q871 R872 | I856-E868 VanDerWaalsContact CD1-OE1 3.26Å; I856-E868 WeakPolarHBondContact CD1-OE1 3.34Å; I856-E868 HydrophobicContact CG2-CB 3.99Å; I856-E868 HydrophobicContact CG2-CG 4.25Å; M863-E868 HydrophobicContact CE-CB 4.19Å; S864-E868 WeakPolarHBondContact O-CB 3.44Å; S864-E868 PolarHBondContact O-N 2.92Å; L866-E868 VanDerWaalsContact C-N 3.25Å; L866-E868 PolarHBondContact O-N 2.88Å; E868-V870 VanDerWaalsContact C-N 3.34Å; E868-V870 PolarHBondContact O-N 2.93Å; E868-Q871 PolarHBondContact O-N 2.92Å; E868-R872 VanDerWaalsContact CD-CZ 3.47Å; E868-R872 VanDerWaalsContact CD-NE 3.32Å; E868-R872 HydrophobicContact CG-CG 4.15Å; E868-R872 VanDerWaalsContact CG-NE 3.31Å; E868-R872 WeakPolarHBondContact O-CB 3.23Å; E868-R872 VanDerWaalsContact O-CG 3.28Å; E868-R872 WeakPolarHBondContact O-CG 3.42Å; E868-R872 PolarHBondContact O-N 3.04Å; E868-R872 IonicContact OE1-CZ 2.91Å; E868-R872 VanDerWaalsContact OE1-CZ 3.23Å; E868-R872 IonicContact OE1-NE 2.62Å; E868-R872 PolarHBondContact OE1-NE 3.4Å; E868-R872 IonicContact OE1-NH2 3.3Å; E868-R872 PolarHBondContact OE1-NH2 3.43Å; E868-R872 IonicContact OE2-CZ 2.68Å; E868-R872 IonicContact OE2-NH2 3.14Å; E868-R872 PolarHBondContact OE2-NH2 2.95Å |
| 869 | R | 94.4 | Very high | 90.9 | Very high | 119 Ų | 119 | 59.4 Ų | 59.4 | 45% | 0.449 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63 | -40 | 176.4 | -75.8 | -179.9 | -58.8 | 143.3 | 4 | 112.1 | D865 L866 H873 F940 | D865-R869 WeakPolarHBondContact O-CB 3.2Å; D865-R869 WeakPolarHBondContact O-CG 3.45Å; D865-R869 PolarHBondContact O-N 3.34Å; D865-R869 PolarHBondContact O-NE 3.12Å; L866-R869 PolarHBondContact O-N 3.24Å; L866-R869 VanDerWaalsContact O-N 3.1Å; R869-H873 VanDerWaalsContact O-CB 3.23Å; R869-H873 WeakPolarHBondContact O-CB 3.46Å; R869-H873 PolarHBondContact O-N 3.09Å; R869-F940 HydrophobicContact CB-CE1 3.85Å; R869-F940 HydrophobicContact CB-CZ 4.24Å |
| 870 | V | 94.6 | Very high | 91.5 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.8 | -50.1 | 175.1 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | L866 E868 R872 H873 Y874 R902 F940 | L866-V870 HydrophobicContact CD1-CG2 4.21Å; L866-V870 WeakPolarHBondContact O-CG2 3.41Å; L866-V870 PolarHBondContact O-N 2.97Å; E868-V870 VanDerWaalsContact C-N 3.34Å; E868-V870 PolarHBondContact O-N 2.93Å; V870-R872 PolarHBondContact O-N 3.09Å; V870-H873 PolarHBondContact O-N 3.16Å; V870-Y874 HydrophobicContact CG1-CD2 4.03Å; V870-Y874 HydrophobicContact CG1-CE2 4.38Å; V870-Y874 WeakPolarHBondContact O-CD2 3.05Å; V870-Y874 PolarHBondContact O-N 2.76Å; V870-R902 HydrophobicContact CG1-CG 4.41Å; V870-R902 HydrophobicContact CG2-CG 4.09Å; V870-F940 HydrophobicContact CG2-CB 4.38Å; V870-F940 HydrophobicContact CG2-CD1 3.84Å; V870-F940 HydrophobicContact CG2-CD2 3.93Å; V870-F940 HydrophobicContact CG2-CE1 4.05Å; V870-F940 HydrophobicContact CG2-CE2 4.13Å; V870-F940 HydrophobicContact CG2-CG 3.79Å; V870-F940 HydrophobicContact CG2-CZ 4.19Å |
| 871 | Q | 94.5 | Very high | 92.2 | Very high | 8 Ų | 8 | 56.8 Ų | 56.8 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.6 | -54 | 176.4 | -172.9 | 74.7 | 31.2 | 0 | 0 | 111.4 | F858 M863 G867 E868 H873 Y874 E875 N898 | F858-Q871 HydrophobicContact CE2-CG 4.47Å; F858-Q871 HydrophobicContact CZ-CG 4.46Å; M863-Q871 HydrophobicContact CE-CB 4.23Å; G867-Q871 WeakPolarHBondContact O-CB 3.45Å; G867-Q871 PolarHBondContact O-N 3.02Å; E868-Q871 PolarHBondContact O-N 2.92Å; Q871-H873 PolarHBondContact O-N 2.71Å; Q871-Y874 PolarHBondContact O-N 2.88Å; Q871-E875 PolarHBondContact NE2-OE2 3.37Å; Q871-E875 WeakPolarHBondContact O-CB 3.47Å; Q871-E875 PolarHBondContact O-N 3.04Å; Q871-N898 PolarHBondContact NE2-O 3.44Å |
| 872 | R | 93.6 | Very high | 92.8 | Very high | 164 Ų | 164 | 60.1 Ų | 60.1 | 62% | 0.619 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -60.4 | -33.2 | -178.3 | -71 | 177.9 | -177.3 | -166.5 | 7.6 | 112.5 | E868 V870 | E868-R872 VanDerWaalsContact CD-CZ 3.47Å; E868-R872 VanDerWaalsContact CD-NE 3.32Å; E868-R872 HydrophobicContact CG-CG 4.15Å; E868-R872 VanDerWaalsContact CG-NE 3.31Å; E868-R872 WeakPolarHBondContact O-CB 3.23Å; E868-R872 VanDerWaalsContact O-CG 3.28Å; E868-R872 WeakPolarHBondContact O-CG 3.42Å; E868-R872 PolarHBondContact O-N 3.04Å; E868-R872 IonicContact OE1-CZ 2.91Å; E868-R872 VanDerWaalsContact OE1-CZ 3.23Å; E868-R872 IonicContact OE1-NE 2.62Å; E868-R872 PolarHBondContact OE1-NE 3.4Å; E868-R872 IonicContact OE1-NH2 3.3Å; E868-R872 PolarHBondContact OE1-NH2 3.43Å; E868-R872 IonicContact OE2-CZ 2.68Å; E868-R872 IonicContact OE2-NH2 3.14Å; E868-R872 PolarHBondContact OE2-NH2 2.95Å; V870-R872 PolarHBondContact O-N 3.09Å |
| 873 | H | 95.2 | Very high | 93.1 | Very high | 44 Ų | 44 | 60 Ų | 60 | 20% | 0.204 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.9 | -51.5 | 178.7 | -175.7 | 87.9 | 0 | 0 | 0 | 112.2 | R869 V870 Q871 L876 N879 F940 | R869-H873 VanDerWaalsContact O-CB 3.23Å; R869-H873 WeakPolarHBondContact O-CB 3.46Å; R869-H873 PolarHBondContact O-N 3.09Å; V870-H873 PolarHBondContact O-N 3.16Å; Q871-H873 PolarHBondContact O-N 2.71Å; H873-L876 PolarHBondContact O-N 2.96Å; H873-N879 WeakPolarHBondContact O-CB 3.47Å; H873-N879 PolarHBondContact O-ND2 2.89Å; H873-F940 HydrophobicContact CB-CE2 3.76Å; H873-F940 HydrophobicContact CB-CZ 3.81Å; H873-F940 AromaticContact CD2-CE2 3.87Å; H873-F940 AromaticContact CG-CE2 3.77Å |
| 874 | Y | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -83.5 | -10.8 | -174.8 | -71.5 | -82.6 | 0 | 0 | 0 | 114.5 | V870 Q871 L876 R880 V893 Y900 S935 C936 V937 F940 | V870-Y874 HydrophobicContact CG1-CD2 4.03Å; V870-Y874 HydrophobicContact CG1-CE2 4.38Å; V870-Y874 WeakPolarHBondContact O-CD2 3.05Å; V870-Y874 PolarHBondContact O-N 2.76Å; Q871-Y874 PolarHBondContact O-N 2.88Å; Y874-L876 PolarHBondContact O-N 3.26Å; Y874-R880 VanDerWaalsContact O-CG 3.31Å; Y874-R880 WeakPolarHBondContact O-CG 3.39Å; Y874-R880 PolarHBondContact O-NE 3.34Å; Y874-V893 HydrophobicContact CD1-CG1 4.42Å; Y874-V893 HydrophobicContact CD2-CG1 3.99Å; Y874-V893 HydrophobicContact CD2-CG2 4.42Å; Y874-V893 HydrophobicContact CE1-CB 4.45Å; Y874-V893 HydrophobicContact CE2-CB 4.26Å; Y874-V893 HydrophobicContact CE2-CG1 4.12Å; Y874-V893 HydrophobicContact CE2-CG2 3.75Å; Y874-V893 HydrophobicContact CG-CG1 4.15Å; Y874-Y900 VanDerWaalsContact CB-CD1 3.46Å; Y874-Y900 VanDerWaalsContact CB-CG 3.46Å; Y874-Y900 HydrophobicContact CG-CD1 4.29Å; Y874-Y900 HydrophobicContact CG-CG 4.48Å; Y874-Y900 WeakPolarHBondContact O-CE2 3.41Å; Y874-Y900 VanDerWaalsContact O-CZ 3.29Å; Y874-Y900 PolarHBondContact O-OH 2.96Å; Y874-S935 PolarHBondContact OH-O 3.48Å; Y874-C936 WeakPolarHBondContact OH-CA 3.26Å; Y874-V937 PolarHBondContact OH-N 3.05Å; Y874-V937 VanDerWaalsContact OH-N 3.13Å; Y874-F940 HydrophobicContact CD2-CE2 4.44Å; Y874-F940 AromaticContact CE2-CD2 3.88Å; Y874-F940 HydrophobicContact CE2-CD2 3.88Å; Y874-F940 AromaticContact CE2-CE2 3.86Å; Y874-F940 HydrophobicContact CE2-CE2 3.86Å |
| 875 | E | 93.9 | Very high | 92.8 | Very high | 74 Ų | 74 | 70.2 Ų | 70.2 | 35% | 0.346 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -27.5 | 167.1 | -151.3 | 71.1 | -108 | 0 | 0 | 111.7 | Q871 E877 R880 K895 | Q871-E875 PolarHBondContact NE2-OE2 3.37Å; Q871-E875 WeakPolarHBondContact O-CB 3.47Å; Q871-E875 PolarHBondContact O-N 3.04Å; E875-E877 PolarHBondContact O-N 3.26Å; E875-R880 PolarHBondContact O-NH2 2.96Å; E875-R880 IonicContact OE1-NH2 2.83Å; E875-K895 IonicContact OE1-NZ 3.68Å; E875-K895 PolarHBondContact OE1-NZ 3.32Å |
| 876 | L | 94.9 | Very high | 92.6 | Very high | 108 Ų | 108 | 66.4 Ų | 66.4 | 57% | 0.565 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -74.3 | 119.7 | 171.7 | -60.6 | 175.5 | 0 | 0 | 0 | 110.5 | H873 Y874 A878 N879 | H873-L876 PolarHBondContact O-N 2.96Å; Y874-L876 PolarHBondContact O-N 3.26Å; L876-A878 VanDerWaalsContact C-N 3.27Å; L876-A878 PolarHBondContact O-N 2.84Å; L876-N879 PolarHBondContact O-N 3.01Å |
| 877 | E | 91.8 | Very high | 92.4 | Very high | 144 Ų | 144 | 69.1 Ų | 69.1 | 67% | 0.673 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -61.9 | -35.3 | -172.1 | -43.8 | -140.3 | 119.9 | 0 | 0 | 112.7 | E875 N879 R880 | E875-E877 PolarHBondContact O-N 3.26Å; E877-N879 PolarHBondContact O-N 3.29Å; E877-N879 VanDerWaalsContact O-N 3.09Å; E877-R880 WeakPolarHBondContact O-CB 3.32Å; E877-R880 PolarHBondContact O-N 2.97Å; E877-R880 IonicContact OE1-CZ 2.69Å; E877-R880 VanDerWaalsContact OE1-CZ 3.3Å; E877-R880 IonicContact OE1-NH1 2.67Å; E877-R880 PolarHBondContact OE1-NH1 3.37Å; E877-R880 IonicContact OE1-NH2 3.94Å; E877-R880 PolarHBondContact OE1-NH2 3.49Å |
| 878 | A | 93.7 | Very high | 92.2 | Very high | 85 Ų | 85 | 72 Ų | 72 | 70% | 0.702 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -61.2 | -15 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L876 H881 | L876-A878 VanDerWaalsContact C-N 3.27Å; L876-A878 PolarHBondContact O-N 2.84Å; A878-H881 PolarHBondContact O-CE1 3.12Å |
| 879 | N | 93.1 | Very high | 91.8 | Very high | 40 Ų | 40 | 72.8 Ų | 72.8 | 21% | 0.214 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -95.3 | -11.7 | 176 | -65.8 | -26.7 | 0 | 0 | 0 | 113 | H873 L876 E877 H881 | H873-N879 WeakPolarHBondContact O-CB 3.47Å; H873-N879 PolarHBondContact O-ND2 2.89Å; L876-N879 PolarHBondContact O-N 3.01Å; E877-N879 PolarHBondContact O-N 3.29Å; E877-N879 VanDerWaalsContact O-N 3.09Å; N879-H881 PolarHBondContact O-N 3.36Å; N879-H881 PolarHBondContact O-ND1 2.94Å |
| 880 | R | 93.3 | Very high | 91.6 | Very high | 59 Ų | 59 | 70.3 Ų | 70.3 | 22% | 0.223 | 38% | 0.377 | C | S | . | . | trans | -80.8 | 52.8 | -172.1 | -58.2 | -178 | -164.6 | 155.1 | 6.7 | 113.2 | Y874 E875 E877 M882 Y900 Y934 | Y874-R880 VanDerWaalsContact O-CG 3.31Å; Y874-R880 WeakPolarHBondContact O-CG 3.39Å; Y874-R880 PolarHBondContact O-NE 3.34Å; E875-R880 PolarHBondContact O-NH2 2.96Å; E875-R880 IonicContact OE1-NH2 2.83Å; E877-R880 WeakPolarHBondContact O-CB 3.32Å; E877-R880 PolarHBondContact O-N 2.97Å; E877-R880 IonicContact OE1-CZ 2.69Å; E877-R880 VanDerWaalsContact OE1-CZ 3.3Å; E877-R880 IonicContact OE1-NH1 2.67Å; E877-R880 PolarHBondContact OE1-NH1 3.37Å; E877-R880 IonicContact OE1-NH2 3.94Å; E877-R880 PolarHBondContact OE1-NH2 3.49Å; R880-M882 PolarHBondContact O-N 3.07Å; R880-Y900 VanDerWaalsContact CZ-OH 3.27Å; R880-Y900 PolarHBondContact NE-OH 3.31Å; R880-Y934 HydrophobicContact CB-CD1 3.99Å; R880-Y934 HydrophobicContact CB-CE1 3.78Å; R880-Y934 WeakPolarHBondContact O-CD1 3.49Å | ||
| 881 | H | 93.3 | Very high | 91.6 | Very high | 119 Ų | 119 | 72.2 Ų | 72.2 | 55% | 0.551 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 118.2 | 176.6 | -59.5 | 88.4 | 0 | 0 | 0 | 110.2 | A878 N879 Y934 S935 | A878-H881 PolarHBondContact O-CE1 3.12Å; N879-H881 PolarHBondContact O-N 3.36Å; N879-H881 PolarHBondContact O-ND1 2.94Å; H881-Y934 CarbonylContact O-C 3.59Å; H881-Y934 VanDerWaalsContact O-CA 3.23Å; H881-Y934 WeakPolarHBondContact O-CA 3.26Å; H881-S935 PolarHBondContact O-N 2.69Å |
| 882 | M | 92.3 | Very high | 91.6 | Very high | 116 Ų | 116 | 71.8 Ų | 71.8 | 57% | 0.571 | 39% | 0.385 | S | S | * | . | B | Isolated β-bridge | trans | -59.3 | 142.7 | 173.5 | -82 | 174.7 | 47 | 0 | 0 | 111.2 | R880 P884 | R880-M882 PolarHBondContact O-N 3.07Å; M882-P884 WeakPolarHBondContact O-CD 3.34Å |
| 883 | H | 90.6 | Very high | 91.8 | Very high | 13 Ų | 13 | 64 Ų | 64 | 6% | 0.06 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 118.7 | 178.8 | -160 | -64.6 | 0 | 0 | 0 | 110.5 | N885 P886 E890 L933 | H883-N885 PolarHBondContact CE1-O 3.46Å; H883-P886 HydrophobicContact CB-CG 4.24Å; H883-P886 WeakPolarHBondContact ND1-CA 3.19Å; H883-E890 IonicContact CE1-OE1 3.15Å; H883-E890 IonicContact CE1-OE2 3.66Å; H883-E890 PolarHBondContact CE1-OE2 2.89Å; H883-E890 VanDerWaalsContact NE2-CD 3.28Å; H883-E890 IonicContact NE2-OE1 3.33Å; H883-E890 PolarHBondContact NE2-OE1 3.44Å; H883-E890 IonicContact NE2-OE2 3.55Å; H883-E890 PolarHBondContact NE2-OE2 3.34Å; H883-L933 HydrophobicContact CB-CB 4.16Å; H883-L933 HydrophobicContact CB-CD2 3.9Å; H883-L933 HydrophobicContact CB-CG 4.09Å; H883-L933 PolarHBondContact N-O 3.18Å |
| 884 | P | 84.4 | Confident | 91.8 | Very high | 114 Ų | 114 | 61.9 Ų | 61.9 | 74% | 0.74 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -74.5 | -34.3 | -166.2 | 27.5 | -35 | 0 | 0 | 0 | 113.7 | M882 | M882-P884 WeakPolarHBondContact O-CD 3.34Š|
| 885 | N | 87.9 | Confident | 91.7 | Very high | 116 Ų | 116 | 65.3 Ų | 65.3 | 62% | 0.62 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -152.3 | 90.8 | 176 | -179.2 | 42.4 | 0 | 0 | 0 | 109.5 | H883 V887 | H883-N885 PolarHBondContact CE1-O 3.46Å; N885-V887 PolarHBondContact O-N 3.05Å |
| 886 | P | 88.9 | Confident | 91.4 | Very high | 14 Ų | 14 | 62.9 Ų | 62.9 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | trans | -62.2 | 131.8 | -178.9 | -24.1 | 36.1 | 0 | 0 | 0 | 112.2 | H883 I905 V908 V914 T930 L933 | H883-P886 HydrophobicContact CB-CG 4.24Å; H883-P886 WeakPolarHBondContact ND1-CA 3.19Å; P886-I905 HydrophobicContact CB-CD1 3.84Å; P886-V908 HydrophobicContact CB-CG2 4.47Å; P886-V908 VanDerWaalsContact O-CG2 3.31Å; P886-V908 WeakPolarHBondContact O-CG2 3.34Å; P886-V914 HydrophobicContact CB-CG1 3.96Å; P886-V914 HydrophobicContact CG-CG1 4.33Å; P886-T930 HydrophobicContact CG-CG2 4.2Å; P886-L933 HydrophobicContact CB-CD2 3.78Å; P886-L933 HydrophobicContact CG-CD2 3.7Å | ||
| 887 | V | 89.3 | Confident | 90.7 | Very high | 68 Ų | 68 | 64.2 Ų | 64.2 | 41% | 0.412 | 36% | 0.356 | S | S | . | . | trans | -123.7 | 137.9 | 178.8 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | N885 G889 E890 I905 | N885-V887 PolarHBondContact O-N 3.05Å; V887-G889 PolarHBondContact O-N 3.02Å; V887-E890 WeakPolarHBondContact O-CB 3.43Å; V887-E890 PolarHBondContact O-N 2.8Å; V887-E890 VanDerWaalsContact O-N 3.11Å; V887-I905 WeakPolarHBondContact O-CB 3.14Å; V887-I905 WeakPolarHBondContact O-CD1 3.34Å | ||
| 888 | P | 87.3 | Confident | 90.4 | Very high | 74 Ų | 74 | 62.4 Ų | 62.4 | 48% | 0.481 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 131.8 | 174.1 | -24.8 | 35.8 | 0 | 0 | 0 | 112.3 | V908 | P888-V908 HydrophobicContact CG-CG2 4.2Š|
| 889 | G | 85.5 | Confident | 90.3 | Very high | 48 Ų | 48 | 59.6 Ų | 59.6 | 50% | 0.495 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.1 | -22.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | V887 I905 | V887-G889 PolarHBondContact O-N 3.02Å; G889-I905 PolarHBondContact N-O 3.01Å |
| 890 | E | 90.8 | Very high | 90.3 | Very high | 66 Ų | 66 | 58 Ų | 58 | 31% | 0.308 | 31% | 0.313 | S | S | . | . | trans | -76.9 | 150.6 | 178.9 | 179.5 | 169.3 | -156.7 | 0 | 0 | 112.4 | H883 V887 I905 | H883-E890 IonicContact CE1-OE1 3.15Å; H883-E890 IonicContact CE1-OE2 3.66Å; H883-E890 PolarHBondContact CE1-OE2 2.89Å; H883-E890 VanDerWaalsContact NE2-CD 3.28Å; H883-E890 IonicContact NE2-OE1 3.33Å; H883-E890 PolarHBondContact NE2-OE1 3.44Å; H883-E890 IonicContact NE2-OE2 3.55Å; H883-E890 PolarHBondContact NE2-OE2 3.34Å; V887-E890 WeakPolarHBondContact O-CB 3.43Å; V887-E890 PolarHBondContact O-N 2.8Å; V887-E890 VanDerWaalsContact O-N 3.11Å; E890-I905 HydrophobicContact CB-CD1 4.12Å; E890-I905 PolarHBondContact O-N 2.96Å | ||
| 891 | M | 94.1 | Very high | 90.3 | Very high | 42 Ų | 42 | 55.5 Ų | 55.5 | 21% | 0.207 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 129.6 | 177.8 | -160.6 | -172.3 | -51.4 | 0 | 0 | 111.1 | V903 L919 C936 K941 | M891-V903 CarbonylContact C-O 3.56Å; M891-V903 VanDerWaalsContact CA-O 3.31Å; M891-V903 WeakPolarHBondContact CA-O 3.25Å; M891-V903 VanDerWaalsContact CG-O 3.31Å; M891-V903 WeakPolarHBondContact CG-O 3.47Å; M891-L919 HydrophobicContact CE-CD1 4.26Å; M891-L919 HydrophobicContact CG-CD1 3.78Å; M891-L919 HydrophobicContact SD-CD1 3.85Å; M891-C936 WeakPolarHBondContact O-CB 3.43Å; M891-K941 HydrophobicContact CB-CG 4.41Å; M891-K941 WeakPolarHBondContact CE-O 3.36Å |
| 892 | A | 95.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | -176.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | R902 V903 I905 L933 Y934 | A892-R902 WeakPolarHBondContact O-CA 3.2Å; A892-V903 HydrophobicContact CB-CG2 3.98Å; A892-V903 PolarHBondContact N-O 3.21Å; A892-V903 PolarHBondContact O-N 3.1Å; A892-I905 HydrophobicContact CB-CD1 4.36Å; A892-I905 HydrophobicContact CB-CG1 4.47Å; A892-L933 HydrophobicContact CB-CD1 3.73Å; A892-L933 HydrophobicContact CB-CD2 3.85Å; A892-L933 HydrophobicContact CB-CG 3.69Å; A892-Y934 WeakPolarHBondContact CB-O 3.11Å |
| 893 | V | 96.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 141.8 | 176.8 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | Y874 Y900 E901 R902 Y934 C936 | Y874-V893 HydrophobicContact CD1-CG1 4.42Å; Y874-V893 HydrophobicContact CD2-CG1 3.99Å; Y874-V893 HydrophobicContact CD2-CG2 4.42Å; Y874-V893 HydrophobicContact CE1-CB 4.45Å; Y874-V893 HydrophobicContact CE2-CB 4.26Å; Y874-V893 HydrophobicContact CE2-CG1 4.12Å; Y874-V893 HydrophobicContact CE2-CG2 3.75Å; Y874-V893 HydrophobicContact CG-CG1 4.15Å; V893-Y900 HydrophobicContact CG1-CD1 4.23Å; V893-E901 WeakPolarHBondContact CA-O 3.25Å; V893-R902 HydrophobicContact CG2-CG 4.4Å; V893-Y934 PolarHBondContact N-O 2.86Å; V893-Y934 PolarHBondContact O-N 3.23Å; V893-C936 HydrophobicContact CG2-CB 4.24Å |
| 894 | V | 95.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 158.7 | 173.9 | -61.9 | 0 | 0 | 0 | 0 | 111.4 | N896 Y900 E901 V903 V916 L918 Y928 L933 | V894-N896 HydrophobicContact CG2-CB 4.32Å; V894-Y900 WeakPolarHBondContact O-CA 3.23Å; V894-E901 PolarHBondContact N-O 3.05Å; V894-E901 PolarHBondContact O-N 3.12Å; V894-V903 HydrophobicContact CB-CG1 4.48Å; V894-V903 HydrophobicContact CG1-CG1 4.19Å; V894-V903 HydrophobicContact CG1-CG2 4.17Å; V894-V903 HydrophobicContact CG2-CG1 3.64Å; V894-V916 HydrophobicContact CG1-CG2 4.37Å; V894-L918 HydrophobicContact CG2-CD2 4.43Å; V894-Y928 HydrophobicContact CB-CE1 4.32Å; V894-Y928 HydrophobicContact CB-CE2 4.26Å; V894-Y928 HydrophobicContact CG1-CD2 4Å; V894-Y928 HydrophobicContact CG1-CE2 4.09Å; V894-Y928 HydrophobicContact CG1-CG 4.21Å; V894-Y928 HydrophobicContact CG2-CE2 3.98Å; V894-L933 HydrophobicContact CG1-CD1 3.63Å |
| 895 | K | 93.3 | Very high | 91 | Very high | 72 Ų | 72 | 40.2 Ų | 40.2 | 31% | 0.313 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 108.7 | 165.3 | -161.4 | 172.7 | -160.2 | 149.9 | 0 | 110 | E875 R899 Y900 | E875-K895 IonicContact OE1-NZ 3.68Å; E875-K895 PolarHBondContact OE1-NZ 3.32Å; K895-R899 CarbonylContact C-O 3.46Å; K895-R899 WeakPolarHBondContact CA-O 3.46Å; K895-Y900 HydrophobicContact CB-CD1 4.15Å; K895-Y900 HydrophobicContact CB-CE1 3.83Å; K895-Y900 HydrophobicContact CD-CE1 4.01Å; K895-Y900 HydrophobicContact CD-CE2 4.11Å; K895-Y900 WeakPolarHBondContact CD-OH 3.48Å; K895-Y900 WeakPolarHBondContact CE-OH 3.29Å; K895-Y900 HydrophobicContact CG-CD1 4.35Å; K895-Y900 HydrophobicContact CG-CE1 3.97Å; K895-Y900 HydrophobicContact CG-CE2 4.36Å; K895-Y900 PolarHBondContact NZ-OH 3.25Å |
| 896 | N | 88 | Confident | 91.1 | Very high | 23 Ų | 23 | 37.7 Ų | 37.7 | 12% | 0.123 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 109.6 | -177 | -176.1 | 18 | 0 | 0 | 0 | 111.6 | V894 N898 R899 E901 Y928 | V894-N896 HydrophobicContact CG2-CB 4.32Å; N896-N898 PolarHBondContact O-N 3.29Å; N896-R899 PolarHBondContact N-O 3.25Å; N896-R899 PolarHBondContact O-N 3.46Å; N896-R899 VanDerWaalsContact O-N 3.12Å; N896-R899 PolarHBondContact O-NH2 3.04Å; N896-E901 WeakPolarHBondContact CB-OE2 3.49Å; N896-E901 PolarHBondContact ND2-OE2 3.12Å; N896-Y928 WeakPolarHBondContact CB-OH 3.46Å; N896-Y928 PolarHBondContact OD1-OH 3.06Å |
| 897 | I | 81.3 | Confident | 90.9 | Very high | 136 Ų | 136 | 38.9 Ų | 38.9 | 70% | 0.697 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47 | 62.7 | -177.4 | -50.6 | 169.3 | 0 | 0 | 0 | 110.1 | R899 | I897-R899 PolarHBondContact O-N 2.8Š|
| 898 | N | 85.4 | Confident | 90.7 | Very high | 106 Ų | 106 | 38.9 Ų | 38.9 | 57% | 0.567 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 9.5 | -179.1 | -61 | -22 | 0 | 0 | 0 | 117 | L859 Q871 N896 | L859-N898 HydrophobicContact CD1-CB 4.02Å; Q871-N898 PolarHBondContact NE2-O 3.44Å; N896-N898 PolarHBondContact O-N 3.29Å |
| 899 | R | 89.9 | Confident | 90.3 | Very high | 25 Ų | 25 | 39.1 Ų | 39.1 | 9% | 0.094 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 147.2 | 174.8 | -65.4 | 168 | -58.6 | 110.2 | 33 | 111.5 | F858 K895 N896 I897 E901 | F858-R899 HydrophobicContact CD1-CG 3.65Å; F858-R899 HydrophobicContact CE1-CG 3.67Å; K895-R899 CarbonylContact C-O 3.46Å; K895-R899 WeakPolarHBondContact CA-O 3.46Å; N896-R899 PolarHBondContact N-O 3.25Å; N896-R899 PolarHBondContact O-N 3.46Å; N896-R899 VanDerWaalsContact O-N 3.12Å; N896-R899 PolarHBondContact O-NH2 3.04Å; I897-R899 PolarHBondContact O-N 2.8Å; R899-E901 HydrophobicContact CB-CG 4.39Å; R899-E901 IonicContact CZ-OE1 2.77Å; R899-E901 IonicContact NH1-OE1 3.23Å; R899-E901 PolarHBondContact NH1-OE1 2.68Å; R899-E901 IonicContact NH2-OE1 3.45Å; R899-E901 PolarHBondContact NH2-OE1 3.05Å; R899-E901 IonicContact NH2-OE2 3.65Å |
| 900 | Y | 93.8 | Very high | 89.3 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 3% | 0.027 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 120.9 | 170.8 | -69.2 | -83.3 | 0 | 0 | 0 | 109.6 | Y874 R880 V893 V894 K895 Y934 | Y874-Y900 VanDerWaalsContact CB-CD1 3.46Å; Y874-Y900 VanDerWaalsContact CB-CG 3.46Å; Y874-Y900 HydrophobicContact CG-CD1 4.29Å; Y874-Y900 HydrophobicContact CG-CG 4.48Å; Y874-Y900 WeakPolarHBondContact O-CE2 3.41Å; Y874-Y900 VanDerWaalsContact O-CZ 3.29Å; Y874-Y900 PolarHBondContact O-OH 2.96Å; R880-Y900 VanDerWaalsContact CZ-OH 3.27Å; R880-Y900 PolarHBondContact NE-OH 3.31Å; V893-Y900 HydrophobicContact CG1-CD1 4.23Å; V894-Y900 WeakPolarHBondContact O-CA 3.23Å; K895-Y900 HydrophobicContact CB-CD1 4.15Å; K895-Y900 HydrophobicContact CB-CE1 3.83Å; K895-Y900 HydrophobicContact CD-CE1 4.01Å; K895-Y900 HydrophobicContact CD-CE2 4.11Å; K895-Y900 WeakPolarHBondContact CD-OH 3.48Å; K895-Y900 WeakPolarHBondContact CE-OH 3.29Å; K895-Y900 HydrophobicContact CG-CD1 4.35Å; K895-Y900 HydrophobicContact CG-CE1 3.97Å; K895-Y900 HydrophobicContact CG-CE2 4.36Å; K895-Y900 PolarHBondContact NZ-OH 3.25Å; Y900-Y934 HydrophobicContact CD1-CD2 4.5Å; Y900-Y934 HydrophobicContact CD1-CE2 4.37Å; Y900-Y934 HydrophobicContact CE1-CD2 4.33Å; Y900-Y934 AromaticContact CE1-CE2 3.83Å; Y900-Y934 HydrophobicContact CE1-CE2 3.83Å |
| 901 | E | 93.6 | Very high | 87.9 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 3% | 0.033 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 136.8 | -172.5 | -63.1 | -176.6 | 141.1 | 0 | 0 | 110.4 | V893 V894 N896 R899 L918 T921 | V893-E901 WeakPolarHBondContact CA-O 3.25Å; V894-E901 PolarHBondContact N-O 3.05Å; V894-E901 PolarHBondContact O-N 3.12Å; N896-E901 WeakPolarHBondContact CB-OE2 3.49Å; N896-E901 PolarHBondContact ND2-OE2 3.12Å; R899-E901 HydrophobicContact CB-CG 4.39Å; R899-E901 IonicContact CZ-OE1 2.77Å; R899-E901 IonicContact NH1-OE1 3.23Å; R899-E901 PolarHBondContact NH1-OE1 2.68Å; R899-E901 IonicContact NH2-OE1 3.45Å; R899-E901 PolarHBondContact NH2-OE1 3.05Å; R899-E901 IonicContact NH2-OE2 3.65Å; E901-L918 WeakPolarHBondContact OE2-CD1 3.48Å; E901-T921 HydrophobicContact CG-CG2 4.28Å; E901-T921 WeakPolarHBondContact OE1-CB 3.34Å; E901-T921 WeakPolarHBondContact OE1-CG2 3.47Å; E901-T921 PolarHBondContact OE1-OG1 3.05Å |
| 902 | R | 95.8 | Very high | 87.2 | Confident | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 139 | 172 | -57.1 | -173.9 | -55.9 | 150.7 | 4.7 | 109.9 | V870 A892 V893 L919 D920 F940 S943 P944 | V870-R902 HydrophobicContact CG1-CG 4.41Å; V870-R902 HydrophobicContact CG2-CG 4.09Å; A892-R902 WeakPolarHBondContact O-CA 3.2Å; V893-R902 HydrophobicContact CG2-CG 4.4Å; R902-L919 HydrophobicContact CB-CB 4.44Å; R902-L919 HydrophobicContact CB-CD1 4.22Å; R902-L919 PolarHBondContact O-N 3.46Å; R902-L919 VanDerWaalsContact O-N 3.09Å; R902-D920 IonicContact CZ-OD1 2.74Å; R902-D920 IonicContact CZ-OD2 3.98Å; R902-D920 IonicContact NE-OD1 3.29Å; R902-D920 IonicContact NE-OD2 3.6Å; R902-D920 PolarHBondContact NE-OD2 3.34Å; R902-D920 IonicContact NH2-OD1 3.84Å; R902-D920 PolarHBondContact NH2-OD1 2.92Å; R902-D920 IonicContact NH2-OD2 3.24Å; R902-D920 PolarHBondContact NH2-OD2 2.94Å; R902-F940 WeakPolarHBondContact CD-O 3.19Å; R902-F940 PolarHBondContact NH1-O 3.25Å; R902-S943 PolarHBondContact NH1-O 3.18Å; R902-P944 PolarHBondContact NH2-O 2.91Å |
| 903 | V | 95.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 154 | -177.8 | -50.4 | 0 | 0 | 0 | 0 | 111.2 | M891 A892 V894 V916 Q917 L918 L933 | M891-V903 CarbonylContact C-O 3.56Å; M891-V903 VanDerWaalsContact CA-O 3.31Å; M891-V903 WeakPolarHBondContact CA-O 3.25Å; M891-V903 VanDerWaalsContact CG-O 3.31Å; M891-V903 WeakPolarHBondContact CG-O 3.47Å; A892-V903 HydrophobicContact CB-CG2 3.98Å; A892-V903 PolarHBondContact N-O 3.21Å; A892-V903 PolarHBondContact O-N 3.1Å; V894-V903 HydrophobicContact CB-CG1 4.48Å; V894-V903 HydrophobicContact CG1-CG1 4.19Å; V894-V903 HydrophobicContact CG1-CG2 4.17Å; V894-V903 HydrophobicContact CG2-CG1 3.64Å; V903-V916 HydrophobicContact CB-CB 3.84Å; V903-V916 HydrophobicContact CB-CG2 3.81Å; V903-V916 HydrophobicContact CG1-CG2 3.93Å; V903-V916 HydrophobicContact CG2-CB 3.71Å; V903-V916 HydrophobicContact CG2-CG1 4.08Å; V903-V916 HydrophobicContact CG2-CG2 3.84Å; V903-Q917 CarbonylContact C-O 3.52Å; V903-Q917 WeakPolarHBondContact CA-O 3.23Å; V903-Q917 WeakPolarHBondContact CB-O 3.25Å; V903-L918 HydrophobicContact CG1-CD2 3.52Å; V903-L933 HydrophobicContact CG2-CD1 3.99Å |
| 904 | H | 93 | Very high | 86.6 | Confident | 39 Ų | 39 | 48.3 Ų | 48.3 | 18% | 0.181 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 124.9 | 170.9 | 173.7 | -56.7 | 0 | 0 | 0 | 108.4 | V906 V916 Q917 L919 | H904-V906 PolarHBondContact O-N 3.31Å; H904-V916 WeakPolarHBondContact O-CA 3.43Å; H904-Q917 PolarHBondContact N-O 3.07Å; H904-Q917 PolarHBondContact O-N 2.84Å; H904-L919 HydrophobicContact CB-CD1 4.32Å; H904-L919 HydrophobicContact CB-CD2 3.97Å; H904-L919 HydrophobicContact CB-CG 4.39Å |
| 905 | I | 92.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 123.9 | 179.3 | -58.7 | 156.9 | 0 | 0 | 0 | 108.3 | P886 V887 G889 E890 A892 V908 V916 L933 | P886-I905 HydrophobicContact CB-CD1 3.84Å; V887-I905 WeakPolarHBondContact O-CB 3.14Å; V887-I905 WeakPolarHBondContact O-CD1 3.34Å; G889-I905 PolarHBondContact N-O 3.01Å; E890-I905 HydrophobicContact CB-CD1 4.12Å; E890-I905 PolarHBondContact O-N 2.96Å; A892-I905 HydrophobicContact CB-CD1 4.36Å; A892-I905 HydrophobicContact CB-CG1 4.47Å; I905-V908 HydrophobicContact CG2-CG2 4.22Å; I905-V916 HydrophobicContact CG1-CG1 4.27Å; I905-L933 HydrophobicContact CD1-CD2 3.96Å; I905-L933 HydrophobicContact CG1-CD2 4.18Å |
| 906 | V | 88.6 | Confident | 86.5 | Confident | 63 Ų | 63 | 47 Ų | 47 | 38% | 0.382 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -45.2 | -178.2 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | H904 L915 Q917 | H904-V906 PolarHBondContact O-N 3.31Å; V906-L915 HydrophobicContact CB-CD2 4.32Å; V906-L915 HydrophobicContact CB-CG 4.29Å; V906-L915 WeakPolarHBondContact CB-O 3.46Å; V906-L915 HydrophobicContact CG1-CD2 4.2Å; V906-L915 PolarHBondContact N-O 3.07Å; V906-Q917 HydrophobicContact CG2-CB 3.75Å |
| 907 | S | 86.2 | Confident | 86.7 | Confident | 40 Ų | 40 | 47.5 Ų | 47.5 | 28% | 0.28 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 152.3 | 175 | 49.5 | 0 | 0 | 0 | 0 | 111.2 | L915 | S907-L915 PolarHBondContact N-O 3.48Å; S907-L915 PolarHBondContact O-N 3.33Å; S907-L915 WeakPolarHBondContact OG-CB 3.4Å |
| 908 | V | 84.3 | Confident | 87.3 | Confident | 67 Ų | 67 | 41.2 Ų | 41.2 | 41% | 0.406 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 124.9 | 171 | -175.1 | 0 | 0 | 0 | 0 | 106.9 | P886 P888 I905 V914 | P886-V908 HydrophobicContact CB-CG2 4.47Å; P886-V908 VanDerWaalsContact O-CG2 3.31Å; P886-V908 WeakPolarHBondContact O-CG2 3.34Å; P888-V908 HydrophobicContact CG-CG2 4.2Å; I905-V908 HydrophobicContact CG2-CG2 4.22Å; V908-V914 HydrophobicContact CB-CG1 4.45Å; V908-V914 HydrophobicContact CG1-CG1 4.17Å; V908-V914 HydrophobicContact CG2-CG1 4.18Å |
| 909 | E | 79.3 | Confident | 87.7 | Confident | 79 Ų | 79 | 36.4 Ų | 36.4 | 37% | 0.369 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 150.6 | -178.2 | -65.6 | 168.4 | -170.1 | 0 | 0 | 109.8 | N911 M913 | E909-N911 PolarHBondContact O-N 2.77Å; E909-M913 HydrophobicContact CB-CB 4.21Å; E909-M913 PolarHBondContact N-O 3.47Å |
| 910 | S | 63.9 | Low | 87.8 | Confident | 114 Ų | 114 | 35.6 Ų | 35.6 | 80% | 0.797 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -21.4 | -173.2 | 40.7 | 0 | 0 | 0 | 0 | 114.7 | A912 | S910-A912 VanDerWaalsContact C-N 3.35Å; S910-A912 PolarHBondContact O-N 2.73Å |
| 911 | N | 62.6 | Low | 87.6 | Confident | 132 Ų | 132 | 36.2 Ų | 36.2 | 71% | 0.706 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 32.7 | -172.1 | -62.4 | -11.6 | 0 | 0 | 0 | 113.2 | E909 M913 | E909-N911 PolarHBondContact O-N 2.77Å; N911-M913 PolarHBondContact O-N 3.49Å |
| 912 | A | 79.2 | Confident | 87.4 | Confident | 55 Ų | 55 | 36 Ų | 36 | 46% | 0.455 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 28.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S910 T930 | S910-A912 VanDerWaalsContact C-N 3.35Å; S910-A912 PolarHBondContact O-N 2.73Å; A912-T930 PolarHBondContact O-N 2.87Å |
| 913 | M | 88.8 | Confident | 87.2 | Confident | 49 Ų | 49 | 36.9 Ų | 36.9 | 24% | 0.241 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 147.7 | 172.4 | -64.3 | -62 | -64 | 0 | 0 | 109.9 | E909 N911 S927 Y928 K929 | E909-M913 HydrophobicContact CB-CB 4.21Å; E909-M913 PolarHBondContact N-O 3.47Å; N911-M913 PolarHBondContact O-N 3.49Å; M913-S927 VanDerWaalsContact CE-OG 3.25Å; M913-S927 WeakPolarHBondContact CE-OG 3.32Å; M913-Y928 CarbonylContact C-O 3.49Å; M913-Y928 WeakPolarHBondContact CA-O 3.5Å; M913-Y928 WeakPolarHBondContact CE-O 3.35Å; M913-K929 HydrophobicContact SD-CB 4.34Å; M913-K929 HydrophobicContact SD-CG 3.65Å |
| 914 | V | 90.1 | Very high | 87 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 124 | 177.2 | -76.7 | 0 | 0 | 0 | 0 | 109.6 | P886 V908 V916 S927 Y928 T930 L933 | P886-V914 HydrophobicContact CB-CG1 3.96Å; P886-V914 HydrophobicContact CG-CG1 4.33Å; V908-V914 HydrophobicContact CB-CG1 4.45Å; V908-V914 HydrophobicContact CG1-CG1 4.17Å; V908-V914 HydrophobicContact CG2-CG1 4.18Å; V914-V916 HydrophobicContact CB-CG1 4.19Å; V914-V916 HydrophobicContact CG2-CG1 4.16Å; V914-S927 WeakPolarHBondContact O-CA 3.44Å; V914-Y928 WeakPolarHBondContact CG2-O 3.41Å; V914-Y928 PolarHBondContact N-O 2.83Å; V914-Y928 PolarHBondContact O-N 2.86Å; V914-T930 HydrophobicContact CG1-CG2 3.83Å; V914-L933 HydrophobicContact CG2-CD1 4.49Å; V914-L933 HydrophobicContact CG2-CD2 4.35Å |
| 915 | L | 92 | Very high | 86.8 | Confident | 44 Ų | 44 | 41.7 Ų | 41.7 | 23% | 0.23 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 118.7 | 171.8 | -175 | 68 | 0 | 0 | 0 | 108.1 | V906 S907 C925 | V906-L915 HydrophobicContact CB-CD2 4.32Å; V906-L915 HydrophobicContact CB-CG 4.29Å; V906-L915 WeakPolarHBondContact CB-O 3.46Å; V906-L915 HydrophobicContact CG1-CD2 4.2Å; V906-L915 PolarHBondContact N-O 3.07Å; S907-L915 PolarHBondContact N-O 3.48Å; S907-L915 PolarHBondContact O-N 3.33Å; S907-L915 WeakPolarHBondContact OG-CB 3.4Å; L915-C925 HydrophobicContact CD1-CB 3.84Å; L915-C925 HydrophobicContact CG-CB 4.15Å |
| 916 | V | 93.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 137.7 | -176.1 | -49.8 | 0 | 0 | 0 | 0 | 110.8 | V894 V903 H904 I905 V914 C925 F926 Y928 L933 | V894-V916 HydrophobicContact CG1-CG2 4.37Å; V903-V916 HydrophobicContact CB-CB 3.84Å; V903-V916 HydrophobicContact CB-CG2 3.81Å; V903-V916 HydrophobicContact CG1-CG2 3.93Å; V903-V916 HydrophobicContact CG2-CB 3.71Å; V903-V916 HydrophobicContact CG2-CG1 4.08Å; V903-V916 HydrophobicContact CG2-CG2 3.84Å; H904-V916 WeakPolarHBondContact O-CA 3.43Å; I905-V916 HydrophobicContact CG1-CG1 4.27Å; V914-V916 HydrophobicContact CB-CG1 4.19Å; V914-V916 HydrophobicContact CG2-CG1 4.16Å; V916-C925 CarbonylContact O-C 3.5Å; V916-C925 VanDerWaalsContact O-CA 3.25Å; V916-C925 WeakPolarHBondContact O-CA 3.5Å; V916-F926 PolarHBondContact N-O 2.78Å; V916-F926 PolarHBondContact O-N 2.76Å; V916-Y928 HydrophobicContact CG2-CD2 3.69Å; V916-Y928 HydrophobicContact CG2-CE2 3.95Å; V916-L933 HydrophobicContact CG1-CD1 4.06Å |
| 917 | Q | 93.6 | Very high | 86.9 | Confident | 34 Ų | 34 | 44.8 Ų | 44.8 | 16% | 0.159 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 128.7 | 174.7 | 173.6 | 166.5 | 68.7 | 0 | 0 | 109.5 | V903 H904 V906 T923 E924 | V903-Q917 CarbonylContact C-O 3.52Å; V903-Q917 WeakPolarHBondContact CA-O 3.23Å; V903-Q917 WeakPolarHBondContact CB-O 3.25Å; H904-Q917 PolarHBondContact N-O 3.07Å; H904-Q917 PolarHBondContact O-N 2.84Å; V906-Q917 HydrophobicContact CG2-CB 3.75Å; Q917-T923 PolarHBondContact NE2-O 2.77Å; Q917-E924 WeakPolarHBondContact CA-O 3.43Å |
| 918 | L | 93.8 | Very high | 87.2 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 148.3 | 172 | -56.6 | -170.6 | 0 | 0 | 0 | 110.7 | V894 E901 V903 S922 E924 F926 | V894-L918 HydrophobicContact CG2-CD2 4.43Å; E901-L918 WeakPolarHBondContact OE2-CD1 3.48Å; V903-L918 HydrophobicContact CG1-CD2 3.52Å; L918-S922 CarbonylContact C-O 3.56Å; L918-S922 VanDerWaalsContact C-O 3.3Å; L918-S922 WeakPolarHBondContact CB-O 3.33Å; L918-E924 PolarHBondContact N-O 2.88Å; L918-F926 HydrophobicContact CD1-CD2 3.95Å; L918-F926 HydrophobicContact CD1-CE2 3.51Å; L918-F926 HydrophobicContact CD1-CZ 4.45Å; L918-F926 HydrophobicContact CD2-CD2 4.24Å; L918-F926 HydrophobicContact CG-CD2 3.81Å; L918-F926 HydrophobicContact CG-CE2 3.79Å |
| 919 | L | 93.8 | Very high | 87.5 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -111 | -27.1 | -175.3 | -64.7 | 178.4 | 0 | 0 | 0 | 115.1 | M891 R902 H904 R945 E946 A947 | M891-L919 HydrophobicContact CE-CD1 4.26Å; M891-L919 HydrophobicContact CG-CD1 3.78Å; M891-L919 HydrophobicContact SD-CD1 3.85Å; R902-L919 HydrophobicContact CB-CB 4.44Å; R902-L919 HydrophobicContact CB-CD1 4.22Å; R902-L919 PolarHBondContact O-N 3.46Å; R902-L919 VanDerWaalsContact O-N 3.09Å; H904-L919 HydrophobicContact CB-CD1 4.32Å; H904-L919 HydrophobicContact CB-CD2 3.97Å; H904-L919 HydrophobicContact CB-CG 4.39Å; L919-R945 HydrophobicContact CB-CB 4.21Å; L919-R945 HydrophobicContact CD2-CB 4.32Å; L919-R945 WeakPolarHBondContact O-CB 3.27Å; L919-E946 PolarHBondContact O-N 2.91Å; L919-E946 VanDerWaalsContact O-N 3.16Å; L919-A947 WeakPolarHBondContact O-CB 3.36Å; L919-A947 PolarHBondContact O-N 3.41Å |
| 920 | D | 92 | Very high | 88 | Confident | 9 Ų | 9 | 44.6 Ų | 44.6 | 5% | 0.048 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -121.9 | -15.9 | -166.4 | -58.8 | -41.6 | 0 | 0 | 0 | 114.9 | R902 E946 | R902-D920 IonicContact CZ-OD1 2.74Å; R902-D920 IonicContact CZ-OD2 3.98Å; R902-D920 IonicContact NE-OD1 3.29Å; R902-D920 IonicContact NE-OD2 3.6Å; R902-D920 PolarHBondContact NE-OD2 3.34Å; R902-D920 IonicContact NH2-OD1 3.84Å; R902-D920 PolarHBondContact NH2-OD1 2.92Å; R902-D920 IonicContact NH2-OD2 3.24Å; R902-D920 PolarHBondContact NH2-OD2 2.94Å; D920-E946 HydrophobicContact CB-CB 4.23Å; D920-E946 PolarHBondContact OD1-N 3.07Å; D920-E946 VanDerWaalsContact OD1-N 3.12Å |
| 921 | T | 88.3 | Confident | 89.2 | Confident | 19 Ų | 19 | 42.1 Ų | 42.1 | 12% | 0.117 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -130.4 | -19.5 | -168.2 | 59.3 | 0 | 0 | 0 | 0 | 114 | L836 F861 E901 | L836-T921 WeakPolarHBondContact CB-O 3.31Å; F861-T921 HydrophobicContact CE1-CG2 3.62Å; F861-T921 HydrophobicContact CZ-CG2 3.77Å; E901-T921 HydrophobicContact CG-CG2 4.28Å; E901-T921 WeakPolarHBondContact OE1-CB 3.34Å; E901-T921 WeakPolarHBondContact OE1-CG2 3.47Å; E901-T921 PolarHBondContact OE1-OG1 3.05Å |
| 922 | S | 90.8 | Very high | 90.5 | Very high | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.028 | 22% | 0.22 | C | C | . | . | trans | -157.3 | 169.8 | 171.8 | -171.1 | 0 | 0 | 0 | 0 | 107.2 | Y839 L918 E924 A947 | Y839-S922 PolarHBondContact OH-OG 2.88Å; L918-S922 CarbonylContact C-O 3.56Å; L918-S922 VanDerWaalsContact C-O 3.3Å; L918-S922 WeakPolarHBondContact CB-O 3.33Å; S922-E924 WeakPolarHBondContact OG-CB 3.43Å; S922-E924 WeakPolarHBondContact OG-CG 3.32Å; S922-E924 PolarHBondContact OG-N 3.05Å; S922-E924 PolarHBondContact OG-OE2 2.98Å; S922-A947 WeakPolarHBondContact O-CB 3.17Å | ||
| 923 | T | 90.9 | Very high | 91.3 | Very high | 19 Ų | 19 | 37.4 Ų | 37.4 | 12% | 0.117 | 20% | 0.198 | C | C | . | . | trans | -109.7 | 5 | 167.7 | 57.9 | 0 | 0 | 0 | 0 | 112.2 | Y839 A845 Q917 A947 D949 | Y839-T923 WeakPolarHBondContact CE2-OG1 3.23Å; Y839-T923 WeakPolarHBondContact OH-CA 3.46Å; Y839-T923 PolarHBondContact OH-N 3.27Å; Y839-T923 PolarHBondContact OH-OG1 2.99Å; A845-T923 HydrophobicContact CB-CG2 4.37Å; Q917-T923 PolarHBondContact NE2-O 2.77Å; T923-A947 HydrophobicContact CG2-CB 4.04Å; T923-D949 HydrophobicContact CG2-CB 4.49Å | ||
| 924 | E | 89.9 | Confident | 91.6 | Very high | 78 Ų | 78 | 36.9 Ų | 36.9 | 36% | 0.364 | 19% | 0.194 | S | C | . | . | trans | -65.8 | 154.9 | 176 | -76.9 | 160.7 | 138.2 | 0 | 0 | 113.1 | Y839 Q917 L918 S922 F926 | Y839-E924 HydrophobicContact CD1-CG 4.21Å; Y839-E924 HydrophobicContact CE1-CG 3.5Å; Y839-E924 PolarHBondContact OH-N 3.09Å; Q917-E924 WeakPolarHBondContact CA-O 3.43Å; L918-E924 PolarHBondContact N-O 2.88Å; S922-E924 WeakPolarHBondContact OG-CB 3.43Å; S922-E924 WeakPolarHBondContact OG-CG 3.32Å; S922-E924 PolarHBondContact OG-N 3.05Å; S922-E924 PolarHBondContact OG-OE2 2.98Å; E924-F926 HydrophobicContact CB-CD2 4.31Å; E924-F926 HydrophobicContact CB-CE2 3.49Å; E924-F926 VanDerWaalsContact CB-CE2 3.49Å; E924-F926 HydrophobicContact CB-CZ 3.82Å | ||
| 925 | C | 90.3 | Very high | 91.7 | Very high | 61 Ų | 61 | 38.7 Ų | 38.7 | 41% | 0.412 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 137.2 | 171 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | L915 V916 | L915-C925 HydrophobicContact CD1-CB 3.84Å; L915-C925 HydrophobicContact CG-CB 4.15Å; V916-C925 CarbonylContact O-C 3.5Å; V916-C925 VanDerWaalsContact O-CA 3.25Å; V916-C925 WeakPolarHBondContact O-CA 3.5Å |
| 926 | F | 90.4 | Very high | 91.9 | Very high | 71 Ų | 71 | 36.8 Ų | 36.8 | 31% | 0.311 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 147 | 178.1 | -62.7 | -90.5 | 0 | 0 | 0 | 109.8 | V916 L918 E924 Y928 | V916-F926 PolarHBondContact N-O 2.78Å; V916-F926 PolarHBondContact O-N 2.76Å; L918-F926 HydrophobicContact CD1-CD2 3.95Å; L918-F926 HydrophobicContact CD1-CE2 3.51Å; L918-F926 HydrophobicContact CD1-CZ 4.45Å; L918-F926 HydrophobicContact CD2-CD2 4.24Å; L918-F926 HydrophobicContact CG-CD2 3.81Å; L918-F926 HydrophobicContact CG-CE2 3.79Å; E924-F926 HydrophobicContact CB-CD2 4.31Å; E924-F926 HydrophobicContact CB-CE2 3.49Å; E924-F926 VanDerWaalsContact CB-CE2 3.49Å; E924-F926 HydrophobicContact CB-CZ 3.82Å; F926-Y928 HydrophobicContact CB-CD2 4.16Å; F926-Y928 HydrophobicContact CB-CE2 3.62Å |
| 927 | S | 91.7 | Very high | 91.8 | Very high | 57 Ų | 57 | 38.9 Ų | 38.9 | 40% | 0.399 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 124 | 175.6 | -169.1 | 0 | 0 | 0 | 0 | 110 | M913 V914 | M913-S927 VanDerWaalsContact CE-OG 3.25Å; M913-S927 WeakPolarHBondContact CE-OG 3.32Å; V914-S927 WeakPolarHBondContact O-CA 3.44Å |
| 928 | Y | 91.6 | Very high | 91.6 | Very high | 26 Ų | 26 | 42.7 Ų | 42.7 | 10% | 0.102 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 156.8 | 178.9 | -73.6 | -88 | 0 | 0 | 0 | 110.4 | V894 N896 M913 V914 V916 F926 Q932 | V894-Y928 HydrophobicContact CB-CE1 4.32Å; V894-Y928 HydrophobicContact CB-CE2 4.26Å; V894-Y928 HydrophobicContact CG1-CD2 4Å; V894-Y928 HydrophobicContact CG1-CE2 4.09Å; V894-Y928 HydrophobicContact CG1-CG 4.21Å; V894-Y928 HydrophobicContact CG2-CE2 3.98Å; N896-Y928 WeakPolarHBondContact CB-OH 3.46Å; N896-Y928 PolarHBondContact OD1-OH 3.06Å; M913-Y928 CarbonylContact C-O 3.49Å; M913-Y928 WeakPolarHBondContact CA-O 3.5Å; M913-Y928 WeakPolarHBondContact CE-O 3.35Å; V914-Y928 WeakPolarHBondContact CG2-O 3.41Å; V914-Y928 PolarHBondContact N-O 2.83Å; V914-Y928 PolarHBondContact O-N 2.86Å; V916-Y928 HydrophobicContact CG2-CD2 3.69Å; V916-Y928 HydrophobicContact CG2-CE2 3.95Å; F926-Y928 HydrophobicContact CB-CD2 4.16Å; F926-Y928 HydrophobicContact CB-CE2 3.62Å; Y928-Q932 HydrophobicContact CD1-CB 4.26Å |
| 929 | K | 91.8 | Very high | 91.3 | Very high | 116 Ų | 116 | 47.3 Ų | 47.3 | 50% | 0.504 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 146.7 | 166.7 | -64.9 | 179.8 | 178.4 | -177.9 | 0 | 109.3 | M913 S931 Q932 | M913-K929 HydrophobicContact SD-CB 4.34Å; M913-K929 HydrophobicContact SD-CG 3.65Å; K929-S931 PolarHBondContact O-N 3.31Å; K929-S931 VanDerWaalsContact O-N 3.14Å; K929-Q932 HydrophobicContact CB-CG 4.18Å; K929-Q932 WeakPolarHBondContact O-CB 3.4Å; K929-Q932 PolarHBondContact O-N 3.3Å |
| 930 | T | 89 | Confident | 91.2 | Very high | 41 Ų | 41 | 47.2 Ų | 47.2 | 25% | 0.252 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -54.5 | -32.9 | 174 | 50.1 | 0 | 0 | 0 | 0 | 112.8 | P886 A912 V914 Q932 L933 | P886-T930 HydrophobicContact CG-CG2 4.2Å; A912-T930 PolarHBondContact O-N 2.87Å; V914-T930 HydrophobicContact CG1-CG2 3.83Å; T930-Q932 PolarHBondContact O-N 2.79Å; T930-L933 WeakPolarHBondContact O-CB 3.42Å; T930-L933 PolarHBondContact O-N 2.93Å |
| 931 | S | 89.3 | Confident | 91.1 | Very high | 62 Ų | 62 | 49.5 Ų | 49.5 | 43% | 0.434 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -69.7 | -9.6 | 175.4 | 57 | 0 | 0 | 0 | 0 | 115.5 | K929 | K929-S931 PolarHBondContact O-N 3.31Å; K929-S931 VanDerWaalsContact O-N 3.14Å |
| 932 | Q | 91.4 | Very high | 91 | Very high | 87 Ų | 87 | 55.3 Ų | 55.3 | 41% | 0.407 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -98.2 | 0.7 | 174.6 | -62.4 | 171.1 | -47.3 | 0 | 0 | 112.3 | Y928 K929 T930 | Y928-Q932 HydrophobicContact CD1-CB 4.26Å; K929-Q932 HydrophobicContact CB-CG 4.18Å; K929-Q932 WeakPolarHBondContact O-CB 3.4Å; K929-Q932 PolarHBondContact O-N 3.3Å; T930-Q932 PolarHBondContact O-N 2.79Å |
| 933 | L | 94.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 127.5 | -178.8 | -158.6 | 74.9 | 0 | 0 | 0 | 110.2 | H883 P886 A892 V894 V903 I905 V914 V916 T930 | H883-L933 HydrophobicContact CB-CB 4.16Å; H883-L933 HydrophobicContact CB-CD2 3.9Å; H883-L933 HydrophobicContact CB-CG 4.09Å; H883-L933 PolarHBondContact N-O 3.18Å; P886-L933 HydrophobicContact CB-CD2 3.78Å; P886-L933 HydrophobicContact CG-CD2 3.7Å; A892-L933 HydrophobicContact CB-CD1 3.73Å; A892-L933 HydrophobicContact CB-CD2 3.85Å; A892-L933 HydrophobicContact CB-CG 3.69Å; V894-L933 HydrophobicContact CG1-CD1 3.63Å; V903-L933 HydrophobicContact CG2-CD1 3.99Å; I905-L933 HydrophobicContact CD1-CD2 3.96Å; I905-L933 HydrophobicContact CG1-CD2 4.18Å; V914-L933 HydrophobicContact CG2-CD1 4.49Å; V914-L933 HydrophobicContact CG2-CD2 4.35Å; V916-L933 HydrophobicContact CG1-CD1 4.06Å; T930-L933 WeakPolarHBondContact O-CB 3.42Å; T930-L933 PolarHBondContact O-N 2.93Å |
| 934 | Y | 95.2 | Very high | 91 | Very high | 39 Ų | 39 | 58.1 Ų | 58.1 | 15% | 0.153 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 147.2 | 176.3 | -53.3 | -66.4 | 0 | 0 | 0 | 111.3 | R880 H881 A892 V893 Y900 C936 | R880-Y934 HydrophobicContact CB-CD1 3.99Å; R880-Y934 HydrophobicContact CB-CE1 3.78Å; R880-Y934 WeakPolarHBondContact O-CD1 3.49Å; H881-Y934 CarbonylContact O-C 3.59Å; H881-Y934 VanDerWaalsContact O-CA 3.23Å; H881-Y934 WeakPolarHBondContact O-CA 3.26Å; A892-Y934 WeakPolarHBondContact CB-O 3.11Å; V893-Y934 PolarHBondContact N-O 2.86Å; V893-Y934 PolarHBondContact O-N 3.23Å; Y900-Y934 HydrophobicContact CD1-CD2 4.5Å; Y900-Y934 HydrophobicContact CD1-CE2 4.37Å; Y900-Y934 HydrophobicContact CE1-CD2 4.33Å; Y900-Y934 AromaticContact CE1-CE2 3.83Å; Y900-Y934 HydrophobicContact CE1-CE2 3.83Å; Y934-C936 PolarHBondContact O-N 3.12Å |
| 935 | S | 94 | Very high | 91.1 | Very high | 37 Ų | 37 | 56.3 Ų | 56.3 | 26% | 0.259 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 126.2 | 173.5 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | Y874 H881 V937 | Y874-S935 PolarHBondContact OH-O 3.48Å; H881-S935 PolarHBondContact O-N 2.69Å; S935-V937 PolarHBondContact O-N 3.35Å |
| 936 | C | 94.3 | Very high | 91.2 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.034 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 124.5 | 172 | -167.5 | 0 | 0 | 0 | 0 | 109.5 | Y874 M891 V893 Y934 K941 | Y874-C936 WeakPolarHBondContact OH-CA 3.26Å; M891-C936 WeakPolarHBondContact O-CB 3.43Å; V893-C936 HydrophobicContact CG2-CB 4.24Å; Y934-C936 PolarHBondContact O-N 3.12Å; C936-K941 HydrophobicContact CB-CG 4.07Å; C936-K941 WeakPolarHBondContact O-CE 3.34Å |
| 937 | V | 92.5 | Very high | 91.4 | Very high | 43 Ų | 43 | 50.3 Ų | 50.3 | 26% | 0.261 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 146.3 | 174.2 | -68.3 | 0 | 0 | 0 | 0 | 111 | Y874 S935 I939 F940 K941 | Y874-V937 PolarHBondContact OH-N 3.05Å; Y874-V937 VanDerWaalsContact OH-N 3.13Å; S935-V937 PolarHBondContact O-N 3.35Å; V937-I939 VanDerWaalsContact C-N 3.26Å; V937-I939 HydrophobicContact CB-CG1 4.29Å; V937-I939 HydrophobicContact CG2-CD1 4.1Å; V937-I939 HydrophobicContact CG2-CG1 3.59Å; V937-I939 PolarHBondContact O-N 2.81Å; V937-I939 VanDerWaalsContact O-N 3.14Å; V937-F940 HydrophobicContact CG2-CD2 3.33Å; V937-F940 HydrophobicContact CG2-CE2 3.61Å; V937-F940 HydrophobicContact CG2-CG 4.17Å; V937-F940 PolarHBondContact O-N 2.67Å; V937-K941 PolarHBondContact O-N 2.78Å |
| 938 | E | 88.3 | Confident | 91.6 | Very high | 114 Ų | 114 | 47.6 Ų | 47.6 | 53% | 0.533 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -54 | -38.5 | -171.2 | -54.7 | -50.3 | 124.9 | 0 | 0 | 113.6 | F940 K941 D942 | E938-F940 PolarHBondContact O-N 3.26Å; E938-K941 PolarHBondContact O-N 2.8Å; E938-K941 WeakPolarHBondContact OE1-CD 3.38Å; E938-K941 IonicContact OE1-NZ 3.86Å; E938-K941 PolarHBondContact OE1-NZ 2.92Å; E938-K941 WeakPolarHBondContact OE2-CD 3.28Å; E938-K941 IonicContact OE2-NZ 3.48Å; E938-D942 PolarHBondContact O-N 2.88Å |
| 939 | I | 88.4 | Confident | 91.8 | Very high | 100 Ų | 100 | 47.1 Ų | 47.1 | 51% | 0.513 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -56.2 | -14.1 | 175.8 | 62.5 | 167.1 | 0 | 0 | 0 | 115 | V937 | V937-I939 VanDerWaalsContact C-N 3.26Å; V937-I939 HydrophobicContact CB-CG1 4.29Å; V937-I939 HydrophobicContact CG2-CD1 4.1Å; V937-I939 HydrophobicContact CG2-CG1 3.59Å; V937-I939 PolarHBondContact O-N 2.81Å; V937-I939 VanDerWaalsContact O-N 3.14Å |
| 940 | F | 92.2 | Very high | 92 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -114.6 | -11.4 | 175.1 | -57.7 | -37.9 | 0 | 0 | 0 | 113.5 | L866 R869 V870 H873 Y874 R902 V937 E938 | L866-F940 HydrophobicContact CD1-CD1 3.93Å; R869-F940 HydrophobicContact CB-CE1 3.85Å; R869-F940 HydrophobicContact CB-CZ 4.24Å; V870-F940 HydrophobicContact CG2-CB 4.38Å; V870-F940 HydrophobicContact CG2-CD1 3.84Å; V870-F940 HydrophobicContact CG2-CD2 3.93Å; V870-F940 HydrophobicContact CG2-CE1 4.05Å; V870-F940 HydrophobicContact CG2-CE2 4.13Å; V870-F940 HydrophobicContact CG2-CG 3.79Å; V870-F940 HydrophobicContact CG2-CZ 4.19Å; H873-F940 HydrophobicContact CB-CE2 3.76Å; H873-F940 HydrophobicContact CB-CZ 3.81Å; H873-F940 AromaticContact CD2-CE2 3.87Å; H873-F940 AromaticContact CG-CE2 3.77Å; Y874-F940 HydrophobicContact CD2-CE2 4.44Å; Y874-F940 AromaticContact CE2-CD2 3.88Å; Y874-F940 HydrophobicContact CE2-CD2 3.88Å; Y874-F940 AromaticContact CE2-CE2 3.86Å; Y874-F940 HydrophobicContact CE2-CE2 3.86Å; R902-F940 WeakPolarHBondContact CD-O 3.19Å; R902-F940 PolarHBondContact NH1-O 3.25Å; V937-F940 HydrophobicContact CG2-CD2 3.33Å; V937-F940 HydrophobicContact CG2-CE2 3.61Å; V937-F940 HydrophobicContact CG2-CG 4.17Å; V937-F940 PolarHBondContact O-N 2.67Å; E938-F940 PolarHBondContact O-N 3.26Å |
| 941 | K | 88.8 | Confident | 92.4 | Very high | 56 Ų | 56 | 41.7 Ų | 41.7 | 24% | 0.243 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -75.8 | -39.7 | 173.2 | -75.6 | 172.6 | 169 | 172.9 | 0 | 111.8 | M891 C936 V937 E938 S943 | M891-K941 HydrophobicContact CB-CG 4.41Å; M891-K941 WeakPolarHBondContact CE-O 3.36Å; C936-K941 HydrophobicContact CB-CG 4.07Å; C936-K941 WeakPolarHBondContact O-CE 3.34Å; V937-K941 PolarHBondContact O-N 2.78Å; E938-K941 PolarHBondContact O-N 2.8Å; E938-K941 WeakPolarHBondContact OE1-CD 3.38Å; E938-K941 IonicContact OE1-NZ 3.86Å; E938-K941 PolarHBondContact OE1-NZ 2.92Å; E938-K941 WeakPolarHBondContact OE2-CD 3.28Å; E938-K941 IonicContact OE2-NZ 3.48Å; K941-S943 PolarHBondContact O-N 3.18Å |
| 942 | D | 86 | Confident | 92.7 | Very high | 142 Ų | 142 | 39 Ų | 39 | 76% | 0.759 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -65.6 | -17.2 | -179.5 | -65.1 | -27.1 | 0 | 0 | 0 | 114.2 | E938 | E938-D942 PolarHBondContact O-N 2.88Š|
| 943 | S | 89.3 | Confident | 92.9 | Very high | 27 Ų | 27 | 35.9 Ų | 35.9 | 19% | 0.189 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -82.4 | 135.8 | -176.8 | -62.7 | 0 | 0 | 0 | 0 | 111.7 | R902 K941 | R902-S943 PolarHBondContact NH1-O 3.18Å; K941-S943 PolarHBondContact O-N 3.18Å |
| 944 | P | 91.8 | Very high | 92.9 | Very high | 55 Ų | 55 | 35.9 Ų | 35.9 | 36% | 0.357 | 19% | 0.185 | S | C | . | . | P | Polyproline II helix | trans | -62.4 | 165.1 | 176.8 | 28.4 | -36.2 | 0 | 0 | 0 | 112 | F852 R902 | F852-P944 HydrophobicContact CE1-CG 3.93Å; F852-P944 HydrophobicContact CZ-CB 4.47Å; F852-P944 HydrophobicContact CZ-CG 3.97Å; R902-P944 PolarHBondContact NH2-O 2.91Å |
| 945 | R | 92.5 | Very high | 92.9 | Very high | 39 Ų | 39 | 34 Ų | 34 | 15% | 0.147 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -74.9 | 140 | 174.8 | 66.2 | -179.8 | 68.5 | -142.1 | -2 | 110.3 | Y825 L919 | Y825-R945 HydrophobicContact CE2-CG 4.42Å; L919-R945 HydrophobicContact CB-CB 4.21Å; L919-R945 HydrophobicContact CD2-CB 4.32Å; L919-R945 WeakPolarHBondContact O-CB 3.27Å |
| 946 | E | 93.9 | Very high | 92.7 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 2% | 0.023 | 17% | 0.165 | C | C | . | . | trans | -94.4 | -26.1 | 179 | -60.7 | -170 | -179.7 | 0 | 0 | 114.3 | R847 F852 S864 L866 L919 D920 | R847-E946 WeakPolarHBondContact CD-OE2 3.35Å; R847-E946 HydrophobicContact CG-CB 4.19Å; R847-E946 IonicContact CZ-OE2 3.78Å; R847-E946 IonicContact NE-OE2 3.54Å; R847-E946 IonicContact NH1-OE2 2.66Å; R847-E946 PolarHBondContact NH1-OE2 3.1Å; F852-E946 HydrophobicContact CB-CG 4.23Å; F852-E946 HydrophobicContact CD1-CG 3.83Å; F852-E946 HydrophobicContact CD2-CB 4.42Å; F852-E946 HydrophobicContact CD2-CG 4.39Å; F852-E946 HydrophobicContact CE1-CG 4.3Å; F852-E946 HydrophobicContact CG-CB 4.3Å; F852-E946 HydrophobicContact CG-CG 3.89Å; S864-E946 WeakPolarHBondContact CB-OE1 3.46Å; S864-E946 VanDerWaalsContact CB-OE2 3.29Å; S864-E946 WeakPolarHBondContact CB-OE2 3.5Å; S864-E946 PolarHBondContact OG-OE1 2.91Å; S864-E946 PolarHBondContact OG-OE2 3.22Å; L866-E946 WeakPolarHBondContact CB-OE1 3.2Å; L919-E946 PolarHBondContact O-N 2.91Å; L919-E946 VanDerWaalsContact O-N 3.16Å; D920-E946 HydrophobicContact CB-CB 4.23Å; D920-E946 PolarHBondContact OD1-N 3.07Å; D920-E946 VanDerWaalsContact OD1-N 3.12Å | ||
| 947 | A | 94.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | trans | -88.3 | 123.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111 | L836 L919 S922 T923 | L836-A947 HydrophobicContact CD1-CB 3.85Å; L919-A947 WeakPolarHBondContact O-CB 3.36Å; L919-A947 PolarHBondContact O-N 3.41Å; S922-A947 WeakPolarHBondContact O-CB 3.17Å; T923-A947 HydrophobicContact CG2-CB 4.04Å | ||
| 948 | M | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 139.6 | 178.5 | -57 | -178.2 | 177.1 | 0 | 0 | 109.9 | Y825 A845 V846 L848 F852 I1000 | Y825-M948 HydrophobicContact CD1-SD 4.37Å; Y825-M948 HydrophobicContact CD2-CE 3.8Å; Y825-M948 HydrophobicContact CD2-CG 4.45Å; Y825-M948 HydrophobicContact CD2-SD 4.14Å; Y825-M948 HydrophobicContact CE1-CB 4.11Å; Y825-M948 HydrophobicContact CE1-CG 4.11Å; Y825-M948 HydrophobicContact CE1-SD 4.36Å; Y825-M948 HydrophobicContact CE2-CE 3.95Å; Y825-M948 HydrophobicContact CE2-CG 3.86Å; Y825-M948 HydrophobicContact CE2-SD 4.15Å; Y825-M948 HydrophobicContact CG-CE 4.39Å; Y825-M948 HydrophobicContact CG-SD 4.26Å; A845-M948 WeakPolarHBondContact CA-O 3.45Å; V846-M948 HydrophobicContact CG2-CB 4.25Å; V846-M948 PolarHBondContact N-O 2.69Å; V846-M948 PolarHBondContact O-N 3.22Å; L848-M948 HydrophobicContact CD1-CE 3.78Å; L848-M948 HydrophobicContact CD1-SD 3.58Å; L848-M948 VanDerWaalsContact CD1-SD 3.58Å; L848-M948 HydrophobicContact CD2-SD 4.39Å; L848-M948 HydrophobicContact CG-CE 4.19Å; L848-M948 HydrophobicContact CG-SD 3.72Å; F852-M948 HydrophobicContact CE2-CE 4.05Å; M948-I1000 HydrophobicContact CB-CD1 4.07Å; M948-I1000 HydrophobicContact CG-CD1 4.47Å; M948-I1000 HydrophobicContact SD-CD1 3.64Å |
| 949 | D | 95.4 | Very high | 91.7 | Very high | 17 Ų | 17 | 29.5 Ų | 29.5 | 9% | 0.091 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 120 | 171 | -172.1 | -17.7 | 0 | 0 | 0 | 108.6 | T923 R951 T999 I1000 | T923-D949 HydrophobicContact CG2-CB 4.49Å; D949-R951 VanDerWaalsContact CG-NE 3.33Å; D949-R951 VanDerWaalsContact OD1-CG 3.22Å; D949-R951 WeakPolarHBondContact OD1-CG 3.48Å; D949-R951 IonicContact OD1-CZ 3.82Å; D949-R951 IonicContact OD1-NE 3.97Å; D949-R951 PolarHBondContact OD1-NE 2.87Å; D949-R951 IonicContact OD1-NH2 3.5Å; D949-R951 IonicContact OD2-CZ 2.83Å; D949-R951 VanDerWaalsContact OD2-CZ 3.26Å; D949-R951 IonicContact OD2-NE 2.67Å; D949-R951 PolarHBondContact OD2-NE 3.23Å; D949-R951 VanDerWaalsContact OD2-NE 3.11Å; D949-R951 IonicContact OD2-NH2 3.73Å; D949-R951 PolarHBondContact OD2-NH2 2.82Å; D949-T999 CarbonylContact O-C 3.57Å; D949-T999 WeakPolarHBondContact O-CA 3.4Å; D949-I1000 PolarHBondContact O-N 2.85Å |
| 950 | L | 96.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 126.7 | 179.6 | -178.1 | 151.3 | 0 | 0 | 0 | 109.7 | I831 F833 L844 V846 I1000 V1002 I1005 | I831-L950 HydrophobicContact CD1-CD1 3.63Å; F833-L950 HydrophobicContact CD1-CD1 4.28Å; F833-L950 HydrophobicContact CE1-CD1 3.91Å; F833-L950 HydrophobicContact CZ-CD1 4.03Å; F833-L950 HydrophobicContact CZ-CD2 4.32Å; L844-L950 HydrophobicContact CD1-CD2 4.46Å; L844-L950 PolarHBondContact N-O 2.87Å; L844-L950 PolarHBondContact O-N 3.4Å; V846-L950 HydrophobicContact CB-CB 4.5Å; V846-L950 HydrophobicContact CG1-CB 3.98Å; V846-L950 HydrophobicContact CG1-CD1 4.47Å; V846-L950 HydrophobicContact CG2-CB 3.66Å; V846-L950 HydrophobicContact CG2-CD1 3.96Å; V846-L950 HydrophobicContact CG2-CG 4.43Å; L950-I1000 WeakPolarHBondContact CA-O 3.36Å; L950-I1000 HydrophobicContact CD1-CG2 4.42Å; L950-V1002 HydrophobicContact CD1-CG1 4.2Å; L950-V1002 HydrophobicContact CD2-CG2 3.88Å; L950-V1002 HydrophobicContact CG-CG1 4.33Å; L950-V1002 HydrophobicContact CG-CG2 4.44Å; L950-I1005 HydrophobicContact CD2-CD1 3.38Å; L950-I1005 HydrophobicContact CD2-CG1 4.02Å |
| 951 | R | 96.3 | Very high | 91.2 | Very high | 42 Ų | 42 | 28.1 Ų | 28.1 | 16% | 0.158 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 141.2 | -172 | -56.5 | -169.3 | -178.2 | -168.1 | 1.9 | 112.5 | A799 A842 A843 D949 L953 T999 I1000 F1001 V1002 | A799-R951 VanDerWaalsContact CB-NH1 3.31Å; A842-R951 CarbonylContact O-C 3.58Å; A842-R951 VanDerWaalsContact O-CA 3.25Å; A842-R951 WeakPolarHBondContact O-CA 3.47Å; A843-R951 HydrophobicContact CB-CG 4Å; D949-R951 VanDerWaalsContact CG-NE 3.33Å; D949-R951 VanDerWaalsContact OD1-CG 3.22Å; D949-R951 WeakPolarHBondContact OD1-CG 3.48Å; D949-R951 IonicContact OD1-CZ 3.82Å; D949-R951 IonicContact OD1-NE 3.97Å; D949-R951 PolarHBondContact OD1-NE 2.87Å; D949-R951 IonicContact OD1-NH2 3.5Å; D949-R951 IonicContact OD2-CZ 2.83Å; D949-R951 VanDerWaalsContact OD2-CZ 3.26Å; D949-R951 IonicContact OD2-NE 2.67Å; D949-R951 PolarHBondContact OD2-NE 3.23Å; D949-R951 VanDerWaalsContact OD2-NE 3.11Å; D949-R951 IonicContact OD2-NH2 3.73Å; D949-R951 PolarHBondContact OD2-NH2 2.82Å; R951-L953 PolarHBondContact O-N 3.31Å; R951-T999 HydrophobicContact CB-CG2 4.43Å; R951-T999 HydrophobicContact CG-CG2 3.85Å; R951-I1000 PolarHBondContact N-O 3.49Å; R951-F1001 HydrophobicContact CB-CD1 4.29Å; R951-F1001 HydrophobicContact CB-CE1 4.35Å; R951-V1002 PolarHBondContact O-N 3.38Å |
| 952 | I | 96.4 | Very high | 91.2 | Very high | 6 Ų | 6 | 26.2 Ų | 26.2 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 113 | 168.2 | -60.1 | 179.9 | 0 | 0 | 0 | 107.4 | A842 G954 L955 V1002 I1005 L1013 L1014 | A842-I952 PolarHBondContact O-N 3.18Å; I952-G954 PolarHBondContact O-N 2.74Å; I952-L955 HydrophobicContact CB-CB 4.05Å; I952-L955 HydrophobicContact CB-CD2 4.02Å; I952-L955 HydrophobicContact CD1-CD2 3.9Å; I952-L955 HydrophobicContact CG2-CB 3.69Å; I952-L955 HydrophobicContact CG2-CD2 3.88Å; I952-L955 HydrophobicContact CG2-CG 4.43Å; I952-L955 PolarHBondContact O-N 2.81Å; I952-V1002 WeakPolarHBondContact CA-O 3.3Å; I952-V1002 HydrophobicContact CG1-CG2 4.4Å; I952-I1005 HydrophobicContact CD1-CG1 4.48Å; I952-I1005 HydrophobicContact CG1-CD1 4.34Å; I952-I1005 HydrophobicContact CG1-CG1 4.36Å; I952-L1013 HydrophobicContact CD1-CD2 4.03Å; I952-L1013 HydrophobicContact CD1-CG 4.18Å; I952-L1014 HydrophobicContact CG2-CD1 4.27Å |
| 953 | L | 95.3 | Very high | 91.2 | Very high | 20 Ų | 20 | 25.4 Ų | 25.4 | 11% | 0.105 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 130.4 | 179.7 | 178.9 | 72.2 | 0 | 0 | 0 | 110.6 | R951 L955 F1001 V1002 Q1025 C1029 Q1030 L1033 | R951-L953 PolarHBondContact O-N 3.31Å; L953-L955 PolarHBondContact O-N 2.88Å; L953-L955 VanDerWaalsContact O-N 3.08Å; L953-F1001 HydrophobicContact CD1-CB 4.43Å; L953-F1001 HydrophobicContact CD1-CD1 4.07Å; L953-F1001 HydrophobicContact CD1-CG 4.46Å; L953-V1002 WeakPolarHBondContact CB-O 3.48Å; L953-V1002 PolarHBondContact N-O 2.97Å; L953-Q1025 PolarHBondContact O-NE2 3.48Å; L953-C1029 HydrophobicContact CD1-CB 4.05Å; L953-C1029 HydrophobicContact CG-CB 4.29Å; L953-Q1030 HydrophobicContact CD1-CB 4.38Å; L953-Q1030 HydrophobicContact CD2-CB 4.11Å; L953-L1033 HydrophobicContact CD1-CD1 3.75Å |
| 954 | G | 93.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | -12.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | I952 Q956 D1026 C1029 | I952-G954 PolarHBondContact O-N 2.74Å; G954-Q956 PolarHBondContact O-N 2.86Å; G954-D1026 PolarHBondContact O-N 3.39Å; G954-C1029 VanDerWaalsContact CA-CB 3.49Å; G954-C1029 PolarHBondContact N-SG 3.48Å; G954-C1029 VanDerWaalsContact N-SG 3.4Å |
| 955 | L | 95.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 109.9 | -175 | -178.5 | 61 | 0 | 0 | 0 | 111.5 | A842 I952 L953 W964 L1014 V1017 | A842-L955 HydrophobicContact CB-CB 4.01Å; A842-L955 HydrophobicContact CB-CD2 3.93Å; A842-L955 HydrophobicContact CB-CG 3.94Å; A842-L955 VanDerWaalsContact CB-O 3.26Å; A842-L955 WeakPolarHBondContact CB-O 3.42Å; I952-L955 HydrophobicContact CB-CB 4.05Å; I952-L955 HydrophobicContact CB-CD2 4.02Å; I952-L955 HydrophobicContact CD1-CD2 3.9Å; I952-L955 HydrophobicContact CG2-CB 3.69Å; I952-L955 HydrophobicContact CG2-CD2 3.88Å; I952-L955 HydrophobicContact CG2-CG 4.43Å; I952-L955 PolarHBondContact O-N 2.81Å; L953-L955 PolarHBondContact O-N 2.88Å; L953-L955 VanDerWaalsContact O-N 3.08Å; L955-W964 HydrophobicContact CD1-CH2 4.41Å; L955-W964 HydrophobicContact CD1-CZ2 4.45Å; L955-W964 HydrophobicContact CG-CH2 4.4Å; L955-W964 HydrophobicContact CG-CZ2 4.05Å; L955-L1014 HydrophobicContact CD1-CD1 3.81Å; L955-L1014 HydrophobicContact CD2-CD1 3.84Å; L955-L1014 HydrophobicContact CG-CD1 4.25Å; L955-V1017 HydrophobicContact CD1-CG1 4.47Å; L955-V1017 HydrophobicContact CD2-CG1 4.28Å |
| 956 | Q | 91.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 154.2 | -177.5 | 73.5 | -162.5 | -86.4 | 0 | 0 | 111.6 | F800 G954 S1023 H1024 D1026 | F800-Q956 HydrophobicContact CE1-CB 3.92Å; F800-Q956 HydrophobicContact CZ-CB 4.11Å; G954-Q956 PolarHBondContact O-N 2.86Å; Q956-S1023 CarbonylContact O-C 3.53Å; Q956-S1023 VanDerWaalsContact O-CA 3.26Å; Q956-S1023 WeakPolarHBondContact O-CA 3.05Å; Q956-S1023 WeakPolarHBondContact O-CB 3.29Å; Q956-H1024 HydrophobicContact CG-CB 4.38Å; Q956-H1024 PolarHBondContact N-O 2.9Å; Q956-H1024 PolarHBondContact O-N 3.27Å; Q956-D1026 VanDerWaalsContact NE2-CB 3.28Å |
| 957 | P | 88.9 | Confident | 89.4 | Confident | 7 Ų | 7 | 27.5 Ų | 27.5 | 5% | 0.045 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 164.9 | 175.3 | 32.3 | -31.3 | 0 | 0 | 0 | 110.8 | S959 R962 W964 | P957-S959 PolarHBondContact O-N 2.94Å; P957-R962 VanDerWaalsContact CG-C 3.48Å; P957-W964 HydrophobicContact CB-CD2 3.89Å; P957-W964 HydrophobicContact CB-CE3 3.97Å; P957-W964 HydrophobicContact CB-CG 4.36Å; P957-W964 HydrophobicContact CB-CZ2 4.47Å; P957-W964 HydrophobicContact CB-CZ3 4.33Å; P957-W964 HydrophobicContact CG-CD2 4.09Å; P957-W964 HydrophobicContact CG-CG 4.14Å |
| 958 | E | 80.5 | Confident | 89 | Confident | 65 Ų | 65 | 27.5 Ų | 27.5 | 30% | 0.304 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -72.4 | 53.4 | 174.1 | -72.8 | 172.5 | -151.9 | 0 | 0 | 113.3 | M761 R1022 | M761-E958 HydrophobicContact CE-CB 3.8Å; M761-E958 HydrophobicContact CE-CG 4.02Å; E958-R1022 HydrophobicContact CB-CB 4.1Å; E958-R1022 VanDerWaalsContact CD-CB 3.44Å; E958-R1022 HydrophobicContact CG-CB 4Å; E958-R1022 PolarHBondContact N-O 2.86Å; E958-R1022 WeakPolarHBondContact OE1-CA 3.47Å; E958-R1022 WeakPolarHBondContact OE2-CB 3.43Å; E958-R1022 WeakPolarHBondContact OE2-CD 3.15Å |
| 959 | S | 83.8 | Confident | 88.7 | Confident | 33 Ų | 33 | 31 Ų | 31 | 23% | 0.231 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -144.1 | 144.4 | 176.3 | 68.4 | 0 | 0 | 0 | 0 | 112.1 | P957 D961 R962 I963 | P957-S959 PolarHBondContact O-N 2.94Å; S959-D961 VanDerWaalsContact C-N 3.32Å; S959-D961 PolarHBondContact O-N 2.89Å; S959-R962 PolarHBondContact O-N 3.08Å; S959-R962 VanDerWaalsContact O-N 3.1Å; S959-R962 PolarHBondContact OG-N 3.02Å; S959-I963 PolarHBondContact OG-N 3.24Å |
| 960 | L | 86.5 | Confident | 88.2 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -32 | 178.5 | -61.7 | -170.3 | 0 | 0 | 0 | 112.8 | W754 C757 D758 M761 L772 Q796 R962 | W754-L960 HydrophobicContact CD2-CD1 3.95Å; W754-L960 HydrophobicContact CG-CD1 4.27Å; W754-L960 HydrophobicContact CH2-CD1 4.45Å; W754-L960 HydrophobicContact CZ2-CB 3.91Å; W754-L960 HydrophobicContact CZ2-CD1 3.83Å; W754-L960 HydrophobicContact CZ2-CG 4.48Å; C757-L960 HydrophobicContact CB-CD1 3.81Å; C757-L960 HydrophobicContact CB-CD2 4.24Å; D758-L960 HydrophobicContact CB-CD1 3.95Å; M761-L960 HydrophobicContact CG-CD2 4.04Å; L772-L960 HydrophobicContact CD2-CD2 3.68Å; Q796-L960 PolarHBondContact NE2-O 2.9Å; Q796-L960 VanDerWaalsContact NE2-O 3.11Å; L960-R962 PolarHBondContact O-N 2.85Å |
| 961 | D | 84.1 | Confident | 87.7 | Confident | 73 Ų | 73 | 34 Ų | 34 | 39% | 0.39 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -16.3 | 173.7 | -56.2 | -53.3 | 0 | 0 | 0 | 112.2 | Q796 S959 I963 | Q796-D961 PolarHBondContact NE2-O 3.24Å; S959-D961 VanDerWaalsContact C-N 3.32Å; S959-D961 PolarHBondContact O-N 2.89Å; D961-I963 HydrophobicContact CB-CD1 4.01Å; D961-I963 HydrophobicContact CB-CG1 4.03Å; D961-I963 PolarHBondContact O-N 3.14Å |
| 962 | R | 88.6 | Confident | 87.4 | Confident | 15 Ų | 15 | 32 Ų | 32 | 6% | 0.057 | 16% | 0.163 | C | C | . | . | trans | 57.5 | 25.5 | -178.6 | -60.5 | 177.4 | 168.5 | 153.2 | -25.9 | 114.3 | Q796 F800 D802 P957 S959 L960 | Q796-R962 VanDerWaalsContact OE1-NH1 3.1Å; F800-R962 VanDerWaalsContact CD2-CD 3.44Å; F800-R962 HydrophobicContact CE2-CB 4.18Å; F800-R962 VanDerWaalsContact CE2-CD 3.41Å; F800-R962 HydrophobicContact CE2-CG 4.42Å; D802-R962 PolarHBondContact O-NH1 2.82Å; D802-R962 IonicContact OD1-CZ 2.63Å; D802-R962 IonicContact OD1-NH1 3.25Å; D802-R962 PolarHBondContact OD1-NH1 2.92Å; D802-R962 IonicContact OD1-NH2 2.75Å; D802-R962 PolarHBondContact OD1-NH2 3.2Å; D802-R962 IonicContact OD2-NH2 3.52Å; D802-R962 PolarHBondContact OD2-NH2 2.91Å; P957-R962 VanDerWaalsContact CG-C 3.48Å; S959-R962 PolarHBondContact O-N 3.08Å; S959-R962 VanDerWaalsContact O-N 3.1Å; S959-R962 PolarHBondContact OG-N 3.02Å; L960-R962 PolarHBondContact O-N 2.85Å | ||
| 963 | I | 86.2 | Confident | 87 | Confident | 125 Ų | 125 | 36.2 Ų | 36.2 | 64% | 0.641 | 18% | 0.179 | S | C | * | . | P | Polyproline II helix | trans | -85.5 | 124.4 | 177.6 | -59.3 | 174 | 0 | 0 | 0 | 108.9 | S959 D961 | S959-I963 PolarHBondContact OG-N 3.24Å; D961-I963 HydrophobicContact CB-CD1 4.01Å; D961-I963 HydrophobicContact CB-CG1 4.03Å; D961-I963 PolarHBondContact O-N 3.14Å |
| 964 | W | 87.2 | Confident | 86.5 | Confident | 29 Ų | 29 | 41.5 Ų | 41.5 | 11% | 0.11 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -80.5 | 140.9 | 171 | -70.2 | 94.4 | 0 | 0 | 0 | 110.7 | S840 P841 A842 L955 P957 A968 V1017 F1021 | S840-W964 VanDerWaalsContact CB-CD1 3.49Å; P841-W964 HydrophobicContact CB-CD2 4.18Å; P841-W964 HydrophobicContact CB-CE3 4.05Å; P841-W964 HydrophobicContact CB-CH2 4Å; P841-W964 HydrophobicContact CB-CZ2 4.16Å; P841-W964 HydrophobicContact CB-CZ3 3.95Å; P841-W964 HydrophobicContact CG-CD2 3.86Å; P841-W964 HydrophobicContact CG-CE3 3.59Å; P841-W964 HydrophobicContact CG-CG 4.4Å; P841-W964 HydrophobicContact CG-CH2 4.43Å; P841-W964 HydrophobicContact CG-CZ3 3.89Å; A842-W964 HydrophobicContact CB-CZ2 4.17Å; L955-W964 HydrophobicContact CD1-CH2 4.41Å; L955-W964 HydrophobicContact CD1-CZ2 4.45Å; L955-W964 HydrophobicContact CG-CH2 4.4Å; L955-W964 HydrophobicContact CG-CZ2 4.05Å; P957-W964 HydrophobicContact CB-CD2 3.89Å; P957-W964 HydrophobicContact CB-CE3 3.97Å; P957-W964 HydrophobicContact CB-CG 4.36Å; P957-W964 HydrophobicContact CB-CZ2 4.47Å; P957-W964 HydrophobicContact CB-CZ3 4.33Å; P957-W964 HydrophobicContact CG-CD2 4.09Å; P957-W964 HydrophobicContact CG-CG 4.14Å; W964-A968 HydrophobicContact CE3-CB 4.39Å; W964-V1017 HydrophobicContact CH2-CG1 3.72Å; W964-V1017 HydrophobicContact CZ3-CG1 4.09Å; W964-F1021 HydrophobicContact CZ3-CB 4.13Å |
| 965 | P | 81.9 | Confident | 86.1 | Confident | 37 Ų | 37 | 44.4 Ų | 44.4 | 24% | 0.24 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -71.1 | 152.2 | 176.2 | 30.1 | -34.4 | 0 | 0 | 0 | 111.9 | D967 A968 R969 | P965-D967 WeakPolarHBondContact CB-OD1 3.25Å; P965-D967 WeakPolarHBondContact CG-OD1 3.43Å; P965-D967 PolarHBondContact O-N 3.47Å; P965-A968 HydrophobicContact CG-CB 3.89Å; P965-A968 PolarHBondContact O-N 3.16Å; P965-R969 PolarHBondContact O-N 3.24Å |
| 966 | D | 81.4 | Confident | 85.8 | Confident | 89 Ų | 89 | 44.6 Ų | 44.6 | 48% | 0.476 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.6 | -30.2 | 179.9 | -75.4 | -50.4 | 0 | 0 | 0 | 112.8 | R969 N970 | D966-R969 IonicContact OD1-CZ 3.54Å; D966-R969 IonicContact OD1-NH1 3.45Å; D966-R969 PolarHBondContact OD1-NH1 2.89Å; D966-R969 IonicContact OD1-NH2 2.69Å; D966-R969 PolarHBondContact OD1-NH2 3.49Å; D966-N970 WeakPolarHBondContact O-CB 3.49Å; D966-N970 VanDerWaalsContact O-CG 3.3Å; D966-N970 PolarHBondContact O-N 2.97Å; D966-N970 PolarHBondContact O-ND2 3.48Å |
| 967 | D | 78.4 | Confident | 85.5 | Confident | 16 Ų | 16 | 45.5 Ų | 45.5 | 9% | 0.086 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.3 | -40.7 | 178 | 84.5 | -42.2 | 0 | 0 | 0 | 111.4 | L546 P547 N548 P965 N970 L971 | L546-D967 HydrophobicContact CD2-CB 4.37Å; P547-D967 WeakPolarHBondContact CD-OD1 3.34Å; P547-D967 WeakPolarHBondContact CD-OD2 3.31Å; P547-D967 WeakPolarHBondContact CG-OD2 3.44Å; N548-D967 WeakPolarHBondContact CB-OD2 3.3Å; N548-D967 PolarHBondContact N-OD2 3.3Å; N548-D967 PolarHBondContact ND2-OD2 2.84Å; P965-D967 WeakPolarHBondContact CB-OD1 3.25Å; P965-D967 WeakPolarHBondContact CG-OD1 3.43Å; P965-D967 PolarHBondContact O-N 3.47Å; D967-N970 PolarHBondContact O-N 2.77Å; D967-L971 VanDerWaalsContact O-CB 3.22Å; D967-L971 WeakPolarHBondContact O-CB 3.46Å; D967-L971 PolarHBondContact O-N 3.17Å |
| 968 | A | 85.7 | Confident | 84.8 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P841 W964 P965 N970 L971 V972 F1021 | P841-A968 HydrophobicContact CG-CB 3.94Å; W964-A968 HydrophobicContact CE3-CB 4.39Å; P965-A968 HydrophobicContact CG-CB 3.89Å; P965-A968 PolarHBondContact O-N 3.16Å; A968-N970 VanDerWaalsContact C-N 3.34Å; A968-N970 PolarHBondContact O-N 3.29Å; A968-L971 PolarHBondContact O-N 2.75Å; A968-V972 WeakPolarHBondContact O-CG2 3.31Å; A968-V972 PolarHBondContact O-N 2.98Å; A968-F1021 VanDerWaalsContact CA-CE1 3.42Å; A968-F1021 HydrophobicContact CB-CD1 3.57Å; A968-F1021 HydrophobicContact CB-CD2 4.47Å; A968-F1021 HydrophobicContact CB-CE1 3.4Å; A968-F1021 HydrophobicContact CB-CE2 4.34Å; A968-F1021 HydrophobicContact CB-CG 4.12Å; A968-F1021 HydrophobicContact CB-CZ 3.81Å |
| 969 | R | 89.1 | Confident | 83.7 | Confident | 75 Ų | 75 | 54.9 Ų | 54.9 | 28% | 0.283 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 172.1 | -175 | -171.2 | 71.6 | -131.6 | -11.7 | 111.1 | C838 Y839 P965 D966 R973 | C838-R969 VanDerWaalsContact O-CD 3.26Å; C838-R969 WeakPolarHBondContact O-CD 3.02Å; C838-R969 VanDerWaalsContact O-CG 3.27Å; C838-R969 WeakPolarHBondContact O-CG 3.42Å; Y839-R969 WeakPolarHBondContact O-CD 3.44Å; Y839-R969 WeakPolarHBondContact O-CG 3.43Å; P965-R969 PolarHBondContact O-N 3.24Å; D966-R969 IonicContact OD1-CZ 3.54Å; D966-R969 IonicContact OD1-NH1 3.45Å; D966-R969 PolarHBondContact OD1-NH1 2.89Å; D966-R969 IonicContact OD1-NH2 2.69Å; D966-R969 PolarHBondContact OD1-NH2 3.49Å; R969-R973 WeakPolarHBondContact O-CB 3.46Å; R969-R973 PolarHBondContact O-N 3.41Å |
| 970 | N | 85.8 | Confident | 81.8 | Confident | 45 Ų | 45 | 57.7 Ų | 57.7 | 24% | 0.241 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.2 | -37.5 | -179 | -84.3 | -55.6 | 0 | 0 | 0 | 113.1 | D966 D967 A968 R973 K974 | D966-N970 WeakPolarHBondContact O-CB 3.49Å; D966-N970 VanDerWaalsContact O-CG 3.3Å; D966-N970 PolarHBondContact O-N 2.97Å; D966-N970 PolarHBondContact O-ND2 3.48Å; D967-N970 PolarHBondContact O-N 2.77Å; A968-N970 VanDerWaalsContact C-N 3.34Å; A968-N970 PolarHBondContact O-N 3.29Å; N970-R973 PolarHBondContact OD1-NH2 3.27Å; N970-K974 WeakPolarHBondContact O-CB 3.49Å; N970-K974 VanDerWaalsContact O-CG 3.3Å; N970-K974 WeakPolarHBondContact O-CG 3.22Å; N970-K974 PolarHBondContact O-N 3.06Å |
| 971 | L | 85.8 | Confident | 79.8 | Confident | 35 Ų | 35 | 65.3 Ų | 65.3 | 18% | 0.183 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.8 | -50.4 | 178.1 | -167.5 | 159.5 | 0 | 0 | 0 | 109.4 | D967 A968 R973 K974 D975 F1016 F1021 | D967-L971 VanDerWaalsContact O-CB 3.22Å; D967-L971 WeakPolarHBondContact O-CB 3.46Å; D967-L971 PolarHBondContact O-N 3.17Å; A968-L971 PolarHBondContact O-N 2.75Å; L971-R973 VanDerWaalsContact C-N 3.26Å; L971-R973 PolarHBondContact O-N 3.39Å; L971-K974 PolarHBondContact O-N 3.29Å; L971-D975 HydrophobicContact CD2-CB 3.91Å; L971-D975 HydrophobicContact CG-CB 4.46Å; L971-D975 VanDerWaalsContact O-CB 3.31Å; L971-D975 WeakPolarHBondContact O-CB 3.12Å; L971-D975 PolarHBondContact O-N 3.27Å; L971-F1016 HydrophobicContact CD2-CE1 3.81Å; L971-F1016 HydrophobicContact CD2-CZ 3.5Å; L971-F1016 VanDerWaalsContact CD2-CZ 3.5Å; L971-F1021 HydrophobicContact CB-CZ 4.06Å; L971-F1021 HydrophobicContact CD1-CZ 4.2Å; L971-F1021 HydrophobicContact CD2-CE2 4.48Å; L971-F1021 HydrophobicContact CD2-CZ 3.92Å; L971-F1021 HydrophobicContact CG-CZ 4.28Å |
| 972 | V | 90.1 | Very high | 77.9 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | I | π-helix | trans | -54.4 | -43 | 172.6 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | P841 A968 K974 F976 F977 L1013 F1016 V1017 F1021 | P841-V972 HydrophobicContact CB-CG2 4.05Å; P841-V972 HydrophobicContact CG-CG2 3.97Å; A968-V972 WeakPolarHBondContact O-CG2 3.31Å; A968-V972 PolarHBondContact O-N 2.98Å; V972-K974 PolarHBondContact O-N 3.33Å; V972-F976 HydrophobicContact CG1-CB 4.38Å; V972-F976 WeakPolarHBondContact O-CA 3.36Å; V972-F976 WeakPolarHBondContact O-CB 3.23Å; V972-F976 PolarHBondContact O-N 2.91Å; V972-F977 HydrophobicContact CG1-CD2 3.95Å; V972-F977 HydrophobicContact CG1-CE2 3.5Å; V972-F977 VanDerWaalsContact CG1-CE2 3.5Å; V972-F977 HydrophobicContact CG1-CZ 4.24Å; V972-F977 PolarHBondContact O-N 3.31Å; V972-F977 VanDerWaalsContact O-N 3.14Å; V972-L1013 HydrophobicContact CG1-CD1 3.81Å; V972-L1013 HydrophobicContact CG2-CD1 4.49Å; V972-F1016 HydrophobicContact CG2-CD1 4.23Å; V972-F1016 HydrophobicContact CG2-CE1 3.92Å; V972-V1017 HydrophobicContact CG2-CG2 3.93Å; V972-F1021 HydrophobicContact CG2-CE2 4.01Å |
| 973 | R | 88.8 | Confident | 76.3 | Confident | 94 Ų | 94 | 74.2 Ų | 74.2 | 36% | 0.355 | 35% | 0.348 | S | S | . | . | I | π-helix | trans | -63.3 | -33.8 | 176.5 | -174.5 | 172.6 | 67.9 | 146.8 | -2.4 | 114.1 | R969 N970 L971 R978 | R969-R973 WeakPolarHBondContact O-CB 3.46Å; R969-R973 PolarHBondContact O-N 3.41Å; N970-R973 PolarHBondContact OD1-NH2 3.27Å; L971-R973 VanDerWaalsContact C-N 3.26Å; L971-R973 PolarHBondContact O-N 3.39Å; R973-R978 WeakPolarHBondContact O-CB 3.42Å; R973-R978 VanDerWaalsContact O-CD 3.3Å; R973-R978 WeakPolarHBondContact O-CD 3.27Å; R973-R978 WeakPolarHBondContact O-CG 3.43Å; R973-R978 PolarHBondContact O-N 2.82Å |
| 974 | K | 84.8 | Confident | 74.9 | Confident | 132 Ų | 132 | 77.5 Ų | 77.5 | 57% | 0.574 | 35% | 0.352 | S | S | * | . | I | π-helix | trans | -88.8 | -47.4 | -180 | -75.3 | 177.3 | 177.7 | -175.9 | 0 | 112.8 | N970 L971 V972 R978 R979 | N970-K974 WeakPolarHBondContact O-CB 3.49Å; N970-K974 VanDerWaalsContact O-CG 3.3Å; N970-K974 WeakPolarHBondContact O-CG 3.22Å; N970-K974 PolarHBondContact O-N 3.06Å; L971-K974 PolarHBondContact O-N 3.29Å; V972-K974 PolarHBondContact O-N 3.33Å; K974-R978 CarbonylContact O-C 3.57Å; K974-R978 VanDerWaalsContact O-C 3.28Å; K974-R978 WeakPolarHBondContact O-CB 3.45Å; K974-R979 PolarHBondContact O-N 2.79Å |
| 975 | D | 84.6 | Confident | 73.7 | Confident | 60 Ų | 60 | 81.2 Ų | 81.2 | 32% | 0.321 | 37% | 0.374 | S | S | . | . | I | π-helix | trans | -98.6 | -15.1 | -166.6 | -84.7 | 65 | 0 | 0 | 0 | 114.3 | L971 R979 F1016 | L971-D975 HydrophobicContact CD2-CB 3.91Å; L971-D975 HydrophobicContact CG-CB 4.46Å; L971-D975 VanDerWaalsContact O-CB 3.31Å; L971-D975 WeakPolarHBondContact O-CB 3.12Å; L971-D975 PolarHBondContact O-N 3.27Å; D975-R979 WeakPolarHBondContact O-CB 3.31Å; D975-R979 WeakPolarHBondContact O-CD 3.49Å; D975-R979 WeakPolarHBondContact O-CG 3.49Å; D975-R979 PolarHBondContact O-NE 2.97Å; D975-R979 PolarHBondContact O-NH1 2.88Å; D975-R979 IonicContact OD2-CZ 3.59Å; D975-R979 IonicContact OD2-NE 3.8Å; D975-R979 IonicContact OD2-NH2 3.46Å; D975-R979 PolarHBondContact OD2-NH2 2.77Å; D975-F1016 HydrophobicContact CB-CE2 4.27Å; D975-F1016 HydrophobicContact CB-CZ 3.72Å |
| 976 | F | 87.6 | Confident | 73.5 | Confident | 5 Ų | 5 | 80.4 Ų | 80.4 | 2% | 0.022 | 37% | 0.366 | C | S | . | . | I | π-helix | trans | -106 | -66.5 | 168.7 | -165.4 | -89.4 | 0 | 0 | 0 | 110.1 | V972 R978 R986 F988 N1011 L1013 F1016 | V972-F976 HydrophobicContact CG1-CB 4.38Å; V972-F976 WeakPolarHBondContact O-CA 3.36Å; V972-F976 WeakPolarHBondContact O-CB 3.23Å; V972-F976 PolarHBondContact O-N 2.91Å; F976-R978 PolarHBondContact O-N 3.26Å; F976-R986 PolarHBondContact O-NH1 3.03Å; F976-F988 HydrophobicContact CD1-CE1 4.35Å; F976-F988 HydrophobicContact CE1-CD1 4.18Å; F976-F988 HydrophobicContact CE1-CE1 4Å; F976-N1011 HydrophobicContact CE2-CB 4.02Å; F976-N1011 HydrophobicContact CZ-CB 4.43Å; F976-N1011 WeakPolarHBondContact CZ-O 3.44Å; F976-L1013 HydrophobicContact CB-CD1 4.13Å; F976-L1013 HydrophobicContact CD1-CB 4.37Å; F976-L1013 HydrophobicContact CD1-CD1 3.84Å; F976-L1013 HydrophobicContact CD1-CG 4.49Å; F976-L1013 HydrophobicContact CD2-CB 4.49Å; F976-L1013 HydrophobicContact CD2-CD1 3.97Å; F976-L1013 HydrophobicContact CE1-CB 3.89Å; F976-L1013 HydrophobicContact CE1-CD1 4.24Å; F976-L1013 HydrophobicContact CE1-CG 4.45Å; F976-L1013 HydrophobicContact CE2-CB 4.01Å; F976-L1013 HydrophobicContact CE2-CD1 4.35Å; F976-L1013 HydrophobicContact CG-CD1 3.69Å; F976-L1013 HydrophobicContact CZ-CB 3.69Å; F976-L1013 HydrophobicContact CZ-CD1 4.48Å; F976-F1016 HydrophobicContact CB-CD1 4.21Å; F976-F1016 HydrophobicContact CB-CE1 4.17Å; F976-F1016 HydrophobicContact CB-CZ 4.43Å; F976-F1016 HydrophobicContact CD2-CB 3.89Å; F976-F1016 HydrophobicContact CD2-CD1 4.2Å; F976-F1016 HydrophobicContact CD2-CD2 4.09Å; F976-F1016 AromaticContact CD2-CG 3.79Å; F976-F1016 HydrophobicContact CD2-CG 3.79Å; F976-F1016 HydrophobicContact CE2-CB 4.22Å |
| 977 | F | 85.6 | Confident | 73.7 | Confident | 19 Ų | 19 | 79.7 Ų | 79.7 | 8% | 0.083 | 36% | 0.36 | C | S | . | . | I | π-helix | trans | -68.3 | -36.8 | -172.9 | -61.5 | -54.4 | 0 | 0 | 0 | 113.8 | V835 C838 L844 V972 R986 F988 L1013 | V835-F977 HydrophobicContact CB-CD1 4.42Å; V835-F977 HydrophobicContact CG1-CD2 4.47Å; V835-F977 HydrophobicContact CG2-CD1 3.88Å; V835-F977 HydrophobicContact CG2-CE1 3.74Å; V835-F977 HydrophobicContact CG2-CZ 4.31Å; C838-F977 HydrophobicContact CB-CD2 4.1Å; C838-F977 HydrophobicContact CB-CE2 4Å; L844-F977 HydrophobicContact CD1-CE1 4.22Å; L844-F977 HydrophobicContact CD1-CE2 4.36Å; L844-F977 HydrophobicContact CD1-CZ 3.62Å; L844-F977 HydrophobicContact CD2-CE2 3.63Å; L844-F977 HydrophobicContact CD2-CZ 3.72Å; L844-F977 HydrophobicContact CG-CZ 4.34Å; V972-F977 HydrophobicContact CG1-CD2 3.95Å; V972-F977 HydrophobicContact CG1-CE2 3.5Å; V972-F977 VanDerWaalsContact CG1-CE2 3.5Å; V972-F977 HydrophobicContact CG1-CZ 4.24Å; V972-F977 PolarHBondContact O-N 3.31Å; V972-F977 VanDerWaalsContact O-N 3.14Å; F977-R986 PolarHBondContact O-NH1 3.27Å; F977-F988 HydrophobicContact CB-CZ 4.43Å; F977-F988 HydrophobicContact CD1-CD1 4.21Å; F977-F988 AromaticContact CD1-CE1 3.7Å; F977-F988 HydrophobicContact CD1-CE1 3.7Å; F977-F988 HydrophobicContact CD1-CE2 4.19Å; F977-F988 AromaticContact CD1-CZ 3.7Å; F977-F988 HydrophobicContact CD1-CZ 3.7Å; F977-F988 HydrophobicContact CE1-CD1 4.33Å; F977-F988 HydrophobicContact CE1-CE1 4.24Å; F977-L1013 HydrophobicContact CE1-CD2 4.23Å; F977-L1013 HydrophobicContact CZ-CD2 3.66Å |
| 978 | R | 75.4 | Confident | 74.4 | Confident | 176 Ų | 176 | 79.2 Ų | 79.2 | 66% | 0.664 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 12.9 | -178.4 | -66.3 | 174.9 | 179.2 | -156.8 | -2.4 | 114.7 | R973 K974 F976 T980 | R973-R978 WeakPolarHBondContact O-CB 3.42Å; R973-R978 VanDerWaalsContact O-CD 3.3Å; R973-R978 WeakPolarHBondContact O-CD 3.27Å; R973-R978 WeakPolarHBondContact O-CG 3.43Å; R973-R978 PolarHBondContact O-N 2.82Å; K974-R978 CarbonylContact O-C 3.57Å; K974-R978 VanDerWaalsContact O-C 3.28Å; K974-R978 WeakPolarHBondContact O-CB 3.45Å; F976-R978 PolarHBondContact O-N 3.26Å; R978-T980 PolarHBondContact O-N 2.89Å |
| 979 | R | 57.5 | Low | 74.9 | Confident | 92 Ų | 92 | 82 Ų | 82 | 35% | 0.347 | 37% | 0.37 | S | S | . | . | trans | -68.7 | 120 | -175.8 | -137.4 | -178.3 | -136 | 149.6 | 9.9 | 111.6 | K974 D975 | K974-R979 PolarHBondContact O-N 2.79Å; D975-R979 WeakPolarHBondContact O-CB 3.31Å; D975-R979 WeakPolarHBondContact O-CD 3.49Å; D975-R979 WeakPolarHBondContact O-CG 3.49Å; D975-R979 PolarHBondContact O-NE 2.97Å; D975-R979 PolarHBondContact O-NH1 2.88Å; D975-R979 IonicContact OD2-CZ 3.59Å; D975-R979 IonicContact OD2-NE 3.8Å; D975-R979 IonicContact OD2-NH2 3.46Å; D975-R979 PolarHBondContact OD2-NH2 2.77Å | ||
| 980 | T | 43.8 | Very low | 75.3 | Confident | 93 Ų | 93 | 78.4 Ų | 78.4 | 57% | 0.571 | 36% | 0.356 | S | S | * | . | S | Bend | trans | 62.7 | 143.2 | 159.1 | 32 | 0 | 0 | 0 | 0 | 120.4 | R978 | R978-T980 PolarHBondContact O-N 2.89Š|
| 981 | H | 42.7 | Very low | 75.8 | Confident | 162 Ų | 162 | 79.7 Ų | 79.7 | 75% | 0.75 | 37% | 0.366 | S | S | * | . | S | Bend | trans | 53.2 | 60.9 | 162.5 | -59.4 | -64.8 | 0 | 0 | 0 | 120 | K983 | H981-K983 PolarHBondContact O-N 2.89Š|
| 982 | N | 45.4 | Very low | 76.3 | Confident | 164 Ų | 164 | 78.3 Ų | 78.3 | 88% | 0.877 | 36% | 0.359 | S | S | * | . | trans | 51.9 | 2.2 | 150.3 | -76.7 | -11.7 | 0 | 0 | 0 | 120.3 | R984 | N982-R984 VanDerWaalsContact C-N 3.33Å; N982-R984 PolarHBondContact O-N 2.91Å | ||
| 983 | K | 54.1 | Low | 76.6 | Confident | 111 Ų | 111 | 81.4 Ų | 81.4 | 48% | 0.483 | 37% | 0.373 | S | S | . | . | trans | -65.7 | 88.7 | 175.7 | -70.7 | 176.2 | -176.3 | 175.3 | 0 | 108.7 | H981 N985 R986 E1009 | H981-K983 PolarHBondContact O-N 2.89Å; K983-N985 PolarHBondContact O-N 2.91Å; K983-N985 VanDerWaalsContact O-N 3.09Å; K983-R986 HydrophobicContact CB-CG 3.93Å; K983-R986 PolarHBondContact O-N 3.14Å; K983-E1009 IonicContact NZ-OE1 2.72Å; K983-E1009 PolarHBondContact NZ-OE1 3.05Å | ||
| 984 | R | 56.8 | Low | 76.8 | Confident | 194 Ų | 194 | 77.8 Ų | 77.8 | 73% | 0.732 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -29.4 | -178.8 | -68.6 | -179.2 | 175.8 | 175.8 | -2.6 | 112 | R857 N982 | R857-R984 PolarHBondContact NH2-O 3.36Å; N982-R984 VanDerWaalsContact C-N 3.33Å; N982-R984 PolarHBondContact O-N 2.91Å |
| 985 | N | 62.3 | Low | 77.2 | Confident | 106 Ų | 106 | 72.2 Ų | 72.2 | 57% | 0.567 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | 72.4 | 176.7 | -59.8 | -7.6 | 0 | 0 | 0 | 110.7 | R857 K983 | R857-N985 PolarHBondContact NE-OD1 2.87Å; R857-N985 PolarHBondContact NH2-OD1 3.19Å; K983-N985 PolarHBondContact O-N 2.91Å; K983-N985 VanDerWaalsContact O-N 3.09Å |
| 986 | R | 77.7 | Confident | 77.5 | Confident | 20 Ų | 20 | 70 Ų | 70 | 8% | 0.075 | 33% | 0.329 | C | S | . | . | trans | -74.7 | 135.9 | 160.4 | -62.3 | -173.9 | 80.3 | -150.6 | 7.5 | 108.7 | L834 F976 F977 K983 F988 D1007 | L834-R986 WeakPolarHBondContact CD1-O 3.32Å; F976-R986 PolarHBondContact O-NH1 3.03Å; F977-R986 PolarHBondContact O-NH1 3.27Å; K983-R986 HydrophobicContact CB-CG 3.93Å; K983-R986 PolarHBondContact O-N 3.14Å; R986-F988 HydrophobicContact CB-CE2 4.14Å; R986-F988 HydrophobicContact CB-CZ 4.19Å; R986-D1007 IonicContact CZ-OD2 3.89Å; R986-D1007 IonicContact NH1-OD2 2.92Å; R986-D1007 VanDerWaalsContact NH2-CG 3.3Å; R986-D1007 IonicContact NH2-OD2 3.98Å; R986-D1007 PolarHBondContact NH2-OD2 3.47Å | ||
| 987 | Q | 85.3 | Confident | 77.5 | Confident | 74 Ų | 74 | 72.1 Ų | 72.1 | 35% | 0.346 | 34% | 0.339 | S | S | . | . | trans | -102.8 | 162.4 | 168 | -71.6 | -174.6 | -13.9 | 0 | 0 | 110 | D1008 | Q987-D1008 WeakPolarHBondContact CB-OD1 3.44Å; Q987-D1008 PolarHBondContact N-OD2 2.96Å | ||
| 988 | F | 93.6 | Very high | 77.6 | Confident | 6 Ų | 6 | 74.5 Ų | 74.5 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 149.9 | 175.7 | -59.6 | -87 | 0 | 0 | 0 | 108 | R832 F833 V835 F976 F977 R986 I1005 Y1006 D1007 | R832-F988 WeakPolarHBondContact CA-O 3.18Å; F833-F988 WeakPolarHBondContact CD1-O 3.34Å; F833-F988 HydrophobicContact CD2-CB 4.06Å; F833-F988 HydrophobicContact CE1-CB 4.44Å; F833-F988 HydrophobicContact CE2-CB 3.65Å; F833-F988 HydrophobicContact CZ-CB 3.87Å; F833-F988 PolarHBondContact N-O 3.45Å; F833-F988 PolarHBondContact O-N 2.83Å; V835-F988 HydrophobicContact CG2-CD2 3.85Å; V835-F988 HydrophobicContact CG2-CE2 4.24Å; V835-F988 HydrophobicContact CG2-CG 4.32Å; F976-F988 HydrophobicContact CD1-CE1 4.35Å; F976-F988 HydrophobicContact CE1-CD1 4.18Å; F976-F988 HydrophobicContact CE1-CE1 4Å; F977-F988 HydrophobicContact CB-CZ 4.43Å; F977-F988 HydrophobicContact CD1-CD1 4.21Å; F977-F988 AromaticContact CD1-CE1 3.7Å; F977-F988 HydrophobicContact CD1-CE1 3.7Å; F977-F988 HydrophobicContact CD1-CE2 4.19Å; F977-F988 AromaticContact CD1-CZ 3.7Å; F977-F988 HydrophobicContact CD1-CZ 3.7Å; F977-F988 HydrophobicContact CE1-CD1 4.33Å; F977-F988 HydrophobicContact CE1-CE1 4.24Å; R986-F988 HydrophobicContact CB-CE2 4.14Å; R986-F988 HydrophobicContact CB-CZ 4.19Å; F988-I1005 HydrophobicContact CB-CG2 4.11Å; F988-I1005 HydrophobicContact CD1-CG2 4.49Å; F988-Y1006 CarbonylContact C-O 3.56Å; F988-Y1006 VanDerWaalsContact CA-O 3.28Å; F988-Y1006 WeakPolarHBondContact CA-O 3.14Å; F988-D1007 HydrophobicContact CD1-CB 3.69Å; F988-D1007 HydrophobicContact CE1-CB 3.6Å |
| 989 | H | 95.6 | Very high | 78.5 | Confident | 58 Ų | 58 | 66.7 Ų | 66.7 | 27% | 0.269 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 148.9 | -179 | 63.7 | -84.8 | 0 | 0 | 0 | 112.2 | L830 I831 R832 Y1006 D1007 | L830-H989 HydrophobicContact CD1-CB 4.28Å; I831-H989 VanDerWaalsContact O-CA 3.22Å; I831-H989 WeakPolarHBondContact O-CA 3.16Å; I831-H989 WeakPolarHBondContact O-CB 3.4Å; R832-H989 HydrophobicContact CG-CB 4.42Å; H989-Y1006 PolarHBondContact N-O 3.14Å; H989-Y1006 PolarHBondContact O-N 3.44Å; H989-D1007 PolarHBondContact CE1-O 2.84Å |
| 990 | A | 97.3 | Very high | 80.4 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 158.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | I831 F833 V1002 N1004 I1005 | I831-A990 HydrophobicContact CG1-CB 4.36Å; I831-A990 VanDerWaalsContact CG1-O 3.3Å; I831-A990 WeakPolarHBondContact CG1-O 3.48Å; I831-A990 PolarHBondContact N-O 2.87Å; I831-A990 PolarHBondContact O-N 3.3Å; I831-A990 VanDerWaalsContact O-N 3.16Å; F833-A990 HydrophobicContact CE1-CB 3.78Å; F833-A990 HydrophobicContact CZ-CB 4.34Å; A990-V1002 HydrophobicContact CB-CB 3.98Å; A990-V1002 HydrophobicContact CB-CG1 3.69Å; A990-V1002 HydrophobicContact CB-CG2 4.19Å; A990-N1004 VanDerWaalsContact CB-O 3.25Å; A990-N1004 WeakPolarHBondContact CB-O 3.33Å; A990-I1005 HydrophobicContact CB-CG1 4.42Å |
| 991 | V | 97.1 | Very high | 82.9 | Confident | 73 Ų | 73 | 58 Ų | 58 | 44% | 0.442 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 115.2 | 174.8 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | G829 L830 Q993 | G829-V991 WeakPolarHBondContact O-CA 3.49Å; L830-V991 HydrophobicContact CD1-CG2 4.04Å; V991-Q993 PolarHBondContact O-N 3.11Å; V991-Q993 PolarHBondContact O-NE2 3.37Å |
| 992 | V | 97 | Very high | 85.5 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.03 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 128.1 | 177.3 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | P826 G829 I831 I1000 | P826-V992 HydrophobicContact CB-CG2 4.35Å; P826-V992 HydrophobicContact CG-CG2 4.25Å; G829-V992 PolarHBondContact O-N 2.83Å; I831-V992 HydrophobicContact CD1-CG2 3.85Å; I831-V992 HydrophobicContact CG1-CG2 3.99Å; I831-V992 HydrophobicContact CG2-CG2 3.78Å; V992-I1000 HydrophobicContact CB-CG2 4.44Å; V992-I1000 HydrophobicContact CG1-CG2 4.03Å; V992-I1000 HydrophobicContact CG2-CG2 3.75Å |
| 993 | Q | 95 | Very high | 87.9 | Confident | 66 Ų | 66 | 50.6 Ų | 50.6 | 31% | 0.308 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -45.4 | 173 | -59.5 | -57 | -84.3 | 0 | 0 | 110.9 | V991 F1001 R1003 | V991-Q993 PolarHBondContact O-N 3.11Å; V991-Q993 PolarHBondContact O-NE2 3.37Å; Q993-F1001 PolarHBondContact N-O 3.48Å; Q993-R1003 HydrophobicContact CG-CG 3.69Å |
| 994 | S | 93.1 | Very high | 89.9 | Confident | 17 Ų | 17 | 45.8 Ų | 45.8 | 12% | 0.119 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 155.7 | 179.4 | 54.6 | 0 | 0 | 0 | 0 | 109.2 | F1001 Q1030 | S994-F1001 PolarHBondContact O-N 3.16Å; S994-Q1030 PolarHBondContact OG-NE2 2.94Å; S994-Q1030 PolarHBondContact OG-OE1 2.9Å |
| 995 | A | 93.9 | Very high | 91.8 | Very high | 15 Ų | 15 | 36.7 Ų | 36.7 | 12% | 0.124 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 125.1 | 167 | 0 | 0 | 0 | 0 | 0 | 107.3 | P821 T999 | P821-A995 HydrophobicContact CB-CB 3.87Å; P821-A995 HydrophobicContact CG-CB 3.93Å; P821-A995 WeakPolarHBondContact CG-O 3.28Å; A995-T999 WeakPolarHBondContact CA-O 3.37Å |
| 996 | I | 91.8 | Very high | 93.3 | Very high | 14 Ų | 14 | 35.7 Ų | 35.7 | 7% | 0.072 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 128.5 | -175.1 | -51.9 | 172.8 | 0 | 0 | 0 | 106.5 | M814 R998 T999 F1001 L1033 M1036 V1037 | M814-I996 HydrophobicContact CE-CG2 3.97Å; M814-I996 HydrophobicContact SD-CG2 3.96Å; I996-R998 PolarHBondContact O-N 2.72Å; I996-T999 PolarHBondContact N-O 2.93Å; I996-T999 PolarHBondContact O-N 2.89Å; I996-T999 VanDerWaalsContact O-N 3.1Å; I996-F1001 HydrophobicContact CB-CE2 4.22Å; I996-F1001 HydrophobicContact CD1-CE2 4.26Å; I996-F1001 HydrophobicContact CG1-CE2 4.37Å; I996-L1033 HydrophobicContact CD1-CB 3.88Å; I996-M1036 HydrophobicContact CG2-CE 4.3Å; I996-V1037 HydrophobicContact CD1-CG2 4.11Å; I996-V1037 HydrophobicContact CG1-CG2 4.46Å; I996-V1037 HydrophobicContact CG2-CG2 3.64Å |
| 997 | H | 87.3 | Confident | 93.9 | Very high | 49 Ų | 49 | 34.9 Ų | 34.9 | 23% | 0.227 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | -135.8 | -170.7 | -163.1 | 59.8 | 0 | 0 | 0 | 111.8 | M814 E818 V819 P821 P822 T999 | M814-H997 HydrophobicContact CE-CB 4.22Å; E818-H997 WeakPolarHBondContact CA-ND1 3.23Å; E818-H997 WeakPolarHBondContact CB-ND1 3.42Å; E818-H997 WeakPolarHBondContact O-CA 3.46Å; E818-H997 WeakPolarHBondContact O-CB 3.39Å; E818-H997 PolarHBondContact O-N 3.18Å; E818-H997 PolarHBondContact O-ND1 2.93Å; V819-H997 PolarHBondContact O-N 3.05Å; P821-H997 VanDerWaalsContact CA-O 3.27Å; P821-H997 WeakPolarHBondContact CA-O 3.28Å; P821-H997 WeakPolarHBondContact CB-O 3.38Å; P822-H997 WeakPolarHBondContact CD-O 3.37Å; H997-T999 PolarHBondContact O-N 3.24Å |
| 998 | R | 88 | Confident | 93.9 | Very high | 69 Ų | 69 | 35.2 Ų | 35.2 | 26% | 0.26 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 14.3 | 179.5 | -61.5 | 172.4 | -174.1 | -162 | 0.2 | 113.4 | Y825 I996 | Y825-R998 VanDerWaalsContact CE1-C 3.48Å; Y825-R998 VanDerWaalsContact CE1-O 3.24Å; Y825-R998 WeakPolarHBondContact CE1-O 3.49Å; Y825-R998 PolarHBondContact OH-O 2.86Å; I996-R998 PolarHBondContact O-N 2.72Å |
| 999 | T | 94.2 | Very high | 93.4 | Very high | 12 Ų | 12 | 40 Ų | 40 | 7% | 0.074 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 133 | -170.3 | -49 | 0 | 0 | 0 | 0 | 112.7 | D949 R951 A995 I996 H997 F1001 | D949-T999 CarbonylContact O-C 3.57Å; D949-T999 WeakPolarHBondContact O-CA 3.4Å; R951-T999 HydrophobicContact CB-CG2 4.43Å; R951-T999 HydrophobicContact CG-CG2 3.85Å; A995-T999 WeakPolarHBondContact CA-O 3.37Å; I996-T999 PolarHBondContact N-O 2.93Å; I996-T999 PolarHBondContact O-N 2.89Å; I996-T999 VanDerWaalsContact O-N 3.1Å; H997-T999 PolarHBondContact O-N 3.24Å; T999-F1001 HydrophobicContact CG2-CD2 4.28Å; T999-F1001 HydrophobicContact CG2-CE1 4.19Å; T999-F1001 HydrophobicContact CG2-CE2 3.72Å; T999-F1001 HydrophobicContact CG2-CZ 3.68Å |
| 1000 | I | 96.5 | Very high | 93 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 124.5 | 174.5 | -58.7 | 172.5 | 0 | 0 | 0 | 109.1 | Y825 P826 I831 M948 D949 L950 R951 V992 V1002 | Y825-I1000 HydrophobicContact CD1-CD1 3.88Å; Y825-I1000 HydrophobicContact CD1-CG1 3.6Å; Y825-I1000 HydrophobicContact CE1-CD1 4.23Å; Y825-I1000 HydrophobicContact CE1-CG1 3.95Å; P826-I1000 HydrophobicContact CG-CD1 3.96Å; I831-I1000 HydrophobicContact CD1-CG2 4.38Å; M948-I1000 HydrophobicContact CB-CD1 4.07Å; M948-I1000 HydrophobicContact CG-CD1 4.47Å; M948-I1000 HydrophobicContact SD-CD1 3.64Å; D949-I1000 PolarHBondContact O-N 2.85Å; L950-I1000 WeakPolarHBondContact CA-O 3.36Å; L950-I1000 HydrophobicContact CD1-CG2 4.42Å; R951-I1000 PolarHBondContact N-O 3.49Å; V992-I1000 HydrophobicContact CB-CG2 4.44Å; V992-I1000 HydrophobicContact CG1-CG2 4.03Å; V992-I1000 HydrophobicContact CG2-CG2 3.75Å; I1000-V1002 HydrophobicContact CG2-CG1 4.31Å |
| 1001 | F | 96.7 | Very high | 92.6 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 129.4 | 177.9 | -66.1 | -86.3 | 0 | 0 | 0 | 111.4 | R951 L953 Q993 S994 I996 T999 L1033 | R951-F1001 HydrophobicContact CB-CD1 4.29Å; R951-F1001 HydrophobicContact CB-CE1 4.35Å; L953-F1001 HydrophobicContact CD1-CB 4.43Å; L953-F1001 HydrophobicContact CD1-CD1 4.07Å; L953-F1001 HydrophobicContact CD1-CG 4.46Å; Q993-F1001 PolarHBondContact N-O 3.48Å; S994-F1001 PolarHBondContact O-N 3.16Å; I996-F1001 HydrophobicContact CB-CE2 4.22Å; I996-F1001 HydrophobicContact CD1-CE2 4.26Å; I996-F1001 HydrophobicContact CG1-CE2 4.37Å; T999-F1001 HydrophobicContact CG2-CD2 4.28Å; T999-F1001 HydrophobicContact CG2-CE1 4.19Å; T999-F1001 HydrophobicContact CG2-CE2 3.72Å; T999-F1001 HydrophobicContact CG2-CZ 3.68Å; F1001-L1033 HydrophobicContact CD1-CD1 4.01Å; F1001-L1033 HydrophobicContact CD2-CD1 4.45Å; F1001-L1033 HydrophobicContact CE1-CD1 3.68Å; F1001-L1033 HydrophobicContact CE2-CD1 4.16Å; F1001-L1033 HydrophobicContact CG-CD1 4.39Å; F1001-L1033 HydrophobicContact CZ-CD1 3.76Å; F1001-L1033 HydrophobicContact CZ-CD2 4.13Å |
| 1002 | V | 97.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 153.6 | 178.2 | -58.2 | 0 | 0 | 0 | 0 | 110.1 | L950 R951 I952 L953 A990 I1000 N1004 I1005 | L950-V1002 HydrophobicContact CD1-CG1 4.2Å; L950-V1002 HydrophobicContact CD2-CG2 3.88Å; L950-V1002 HydrophobicContact CG-CG1 4.33Å; L950-V1002 HydrophobicContact CG-CG2 4.44Å; R951-V1002 PolarHBondContact O-N 3.38Å; I952-V1002 WeakPolarHBondContact CA-O 3.3Å; I952-V1002 HydrophobicContact CG1-CG2 4.4Å; L953-V1002 WeakPolarHBondContact CB-O 3.48Å; L953-V1002 PolarHBondContact N-O 2.97Å; A990-V1002 HydrophobicContact CB-CB 3.98Å; A990-V1002 HydrophobicContact CB-CG1 3.69Å; A990-V1002 HydrophobicContact CB-CG2 4.19Å; I1000-V1002 HydrophobicContact CG2-CG1 4.31Å; V1002-N1004 WeakPolarHBondContact CG2-O 3.34Å; V1002-I1005 HydrophobicContact CG2-CG1 4.03Å |
| 1003 | R | 94.9 | Very high | 92.3 | Very high | 170 Ų | 170 | 41.8 Ų | 41.8 | 64% | 0.642 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -72.9 | -31.5 | 171.1 | -65.6 | -168.2 | -169.8 | -155.5 | -0.9 | 112.6 | Q993 | Q993-R1003 HydrophobicContact CG-CG 3.69Š|
| 1004 | N | 96.1 | Very high | 92.2 | Very high | 10 Ų | 10 | 40.1 Ų | 40.1 | 5% | 0.053 | 20% | 0.201 | C | C | . | . | trans | -162.5 | 167.6 | -172.4 | -155.1 | -5.3 | 0 | 0 | 0 | 111.2 | A990 V1002 Y1006 D1012 L1014 | A990-N1004 VanDerWaalsContact CB-O 3.25Å; A990-N1004 WeakPolarHBondContact CB-O 3.33Å; V1002-N1004 WeakPolarHBondContact CG2-O 3.34Å; N1004-Y1006 HydrophobicContact CB-CE2 4Å; N1004-Y1006 WeakPolarHBondContact ND2-CE1 3.47Å; N1004-Y1006 PolarHBondContact ND2-OH 3.3Å; N1004-D1012 PolarHBondContact ND2-OD1 2.98Å; N1004-D1012 PolarHBondContact ND2-OD2 2.85Å; N1004-D1012 PolarHBondContact OD1-OD1 2.84Å; N1004-D1012 VanDerWaalsContact OD1-OD1 3.14Å; N1004-L1014 WeakPolarHBondContact OD1-CB 3.48Å; N1004-L1014 PolarHBondContact OD1-N 2.62Å | ||
| 1005 | I | 96.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | trans | -128.7 | 133.1 | 173.3 | -58.9 | 177.7 | 0 | 0 | 0 | 108.4 | F833 L844 L950 I952 F988 A990 V1002 L1013 | F833-I1005 HydrophobicContact CE2-CG2 4.3Å; F833-I1005 HydrophobicContact CZ-CD1 4.15Å; F833-I1005 HydrophobicContact CZ-CG1 4.18Å; F833-I1005 HydrophobicContact CZ-CG2 3.71Å; L844-I1005 HydrophobicContact CD1-CD1 3.44Å; L844-I1005 VanDerWaalsContact CD1-CD1 3.44Å; L844-I1005 HydrophobicContact CG-CD1 4.48Å; L950-I1005 HydrophobicContact CD2-CD1 3.38Å; L950-I1005 HydrophobicContact CD2-CG1 4.02Å; I952-I1005 HydrophobicContact CD1-CG1 4.48Å; I952-I1005 HydrophobicContact CG1-CD1 4.34Å; I952-I1005 HydrophobicContact CG1-CG1 4.36Å; F988-I1005 HydrophobicContact CB-CG2 4.11Å; F988-I1005 HydrophobicContact CD1-CG2 4.49Å; A990-I1005 HydrophobicContact CB-CG1 4.42Å; V1002-I1005 HydrophobicContact CG2-CG1 4.03Å; I1005-L1013 HydrophobicContact CB-CB 4.12Å; I1005-L1013 HydrophobicContact CB-CD2 4.1Å; I1005-L1013 HydrophobicContact CD1-CD2 4.02Å; I1005-L1013 HydrophobicContact CG1-CD2 4.49Å; I1005-L1013 WeakPolarHBondContact O-CB 3.47Å; I1005-L1013 PolarHBondContact O-N 2.7Å | ||
| 1006 | Y | 95.3 | Very high | 92 | Very high | 85 Ų | 85 | 41.7 Ų | 41.7 | 33% | 0.333 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 151.4 | 177.1 | -53.3 | -79.5 | 0 | 0 | 0 | 110.7 | F988 H989 N1004 N1011 D1012 | F988-Y1006 CarbonylContact C-O 3.56Å; F988-Y1006 VanDerWaalsContact CA-O 3.28Å; F988-Y1006 WeakPolarHBondContact CA-O 3.14Å; H989-Y1006 PolarHBondContact N-O 3.14Å; H989-Y1006 PolarHBondContact O-N 3.44Å; N1004-Y1006 HydrophobicContact CB-CE2 4Å; N1004-Y1006 WeakPolarHBondContact ND2-CE1 3.47Å; N1004-Y1006 PolarHBondContact ND2-OH 3.3Å; Y1006-N1011 VanDerWaalsContact CA-O 3.3Å; Y1006-N1011 WeakPolarHBondContact CA-O 3.44Å; Y1006-D1012 HydrophobicContact CD1-CB 4.21Å; Y1006-D1012 HydrophobicContact CE1-CB 4.05Å |
| 1007 | D | 90.1 | Very high | 92 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 173.5 | 169.7 | 71.3 | 18.4 | 0 | 0 | 0 | 112.7 | R986 F988 H989 E1009 G1010 N1011 | R986-D1007 IonicContact CZ-OD2 3.89Å; R986-D1007 IonicContact NH1-OD2 2.92Å; R986-D1007 VanDerWaalsContact NH2-CG 3.3Å; R986-D1007 IonicContact NH2-OD2 3.98Å; R986-D1007 PolarHBondContact NH2-OD2 3.47Å; F988-D1007 HydrophobicContact CD1-CB 3.69Å; F988-D1007 HydrophobicContact CE1-CB 3.6Å; H989-D1007 PolarHBondContact CE1-O 2.84Å; D1007-E1009 PolarHBondContact O-N 3.35Å; D1007-E1009 WeakPolarHBondContact OD1-CA 3.5Å; D1007-E1009 PolarHBondContact OD1-N 2.81Å; D1007-G1010 PolarHBondContact O-N 2.82Å; D1007-G1010 PolarHBondContact OD1-N 2.95Å; D1007-N1011 PolarHBondContact N-O 3.39Å; D1007-N1011 WeakPolarHBondContact OD1-CB 3.47Å; D1007-N1011 PolarHBondContact OD1-N 2.9Å; D1007-N1011 PolarHBondContact OD1-ND2 3.11Å; D1007-N1011 WeakPolarHBondContact OD2-CB 3.43Å; D1007-N1011 PolarHBondContact OD2-ND2 3.26Å; D1007-N1011 VanDerWaalsContact OD2-ND2 3.1Å |
| 1008 | D | 84.4 | Confident | 92 | Very high | 81 Ų | 81 | 42.5 Ų | 42.5 | 43% | 0.433 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -13 | 179.4 | -57 | -42.2 | 0 | 0 | 0 | 114.5 | Q987 | Q987-D1008 WeakPolarHBondContact CB-OD1 3.44Å; Q987-D1008 PolarHBondContact N-OD2 2.96Å |
| 1009 | E | 84.4 | Confident | 91.9 | Very high | 107 Ų | 107 | 45.2 Ų | 45.2 | 50% | 0.5 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 4.6 | -179.9 | -72.4 | 160.5 | -158.2 | 0 | 0 | 111.7 | K983 D1007 N1011 | K983-E1009 IonicContact NZ-OE1 2.72Å; K983-E1009 PolarHBondContact NZ-OE1 3.05Å; D1007-E1009 PolarHBondContact O-N 3.35Å; D1007-E1009 WeakPolarHBondContact OD1-CA 3.5Å; D1007-E1009 PolarHBondContact OD1-N 2.81Å; E1009-N1011 WeakPolarHBondContact CB-ND2 3.18Å |
| 1010 | G | 85.4 | Confident | 91.3 | Very high | 52 Ų | 52 | 50 Ų | 50 | 54% | 0.536 | 25% | 0.251 | S | S | . | . | trans | 80.4 | 9.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1007 | D1007-G1010 PolarHBondContact O-N 2.82Å; D1007-G1010 PolarHBondContact OD1-N 2.95Å | ||
| 1011 | N | 89.9 | Confident | 90.7 | Very high | 76 Ų | 76 | 51.1 Ų | 51.1 | 41% | 0.406 | 26% | 0.257 | S | S | . | . | trans | -70.7 | 137.3 | 177.9 | -57.2 | -86.1 | 0 | 0 | 0 | 110.4 | F976 Y1006 D1007 E1009 | F976-N1011 HydrophobicContact CE2-CB 4.02Å; F976-N1011 HydrophobicContact CZ-CB 4.43Å; F976-N1011 WeakPolarHBondContact CZ-O 3.44Å; Y1006-N1011 VanDerWaalsContact CA-O 3.3Å; Y1006-N1011 WeakPolarHBondContact CA-O 3.44Å; D1007-N1011 PolarHBondContact N-O 3.39Å; D1007-N1011 WeakPolarHBondContact OD1-CB 3.47Å; D1007-N1011 PolarHBondContact OD1-N 2.9Å; D1007-N1011 PolarHBondContact OD1-ND2 3.11Å; D1007-N1011 WeakPolarHBondContact OD2-CB 3.43Å; D1007-N1011 PolarHBondContact OD2-ND2 3.26Å; D1007-N1011 VanDerWaalsContact OD2-ND2 3.1Å; E1009-N1011 WeakPolarHBondContact CB-ND2 3.18Å | ||
| 1012 | D | 92.9 | Very high | 89.8 | Confident | 43 Ų | 43 | 55.6 Ų | 55.6 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -95.8 | 122.8 | -174.7 | 171.7 | -14.8 | 0 | 0 | 0 | 111.2 | N1004 Y1006 L1014 S1015 F1016 | N1004-D1012 PolarHBondContact ND2-OD1 2.98Å; N1004-D1012 PolarHBondContact ND2-OD2 2.85Å; N1004-D1012 PolarHBondContact OD1-OD1 2.84Å; N1004-D1012 VanDerWaalsContact OD1-OD1 3.14Å; Y1006-D1012 HydrophobicContact CD1-CB 4.21Å; Y1006-D1012 HydrophobicContact CE1-CB 4.05Å; D1012-L1014 WeakPolarHBondContact OD1-CA 3.31Å; D1012-L1014 PolarHBondContact OD1-N 3.5Å; D1012-S1015 VanDerWaalsContact CG-OG 3.23Å; D1012-S1015 PolarHBondContact OD1-N 3.21Å; D1012-S1015 VanDerWaalsContact OD2-CB 3.22Å; D1012-S1015 WeakPolarHBondContact OD2-CB 3.45Å; D1012-S1015 PolarHBondContact OD2-OG 2.78Å; D1012-F1016 WeakPolarHBondContact O-CB 3.28Å; D1012-F1016 PolarHBondContact O-N 3.04Å |
| 1013 | L | 93.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -74.1 | -41.6 | 178.4 | -179.2 | 57.4 | 0 | 0 | 0 | 113.4 | I952 V972 F976 F977 I1005 F1016 V1017 | I952-L1013 HydrophobicContact CD1-CD2 4.03Å; I952-L1013 HydrophobicContact CD1-CG 4.18Å; V972-L1013 HydrophobicContact CG1-CD1 3.81Å; V972-L1013 HydrophobicContact CG2-CD1 4.49Å; F976-L1013 HydrophobicContact CB-CD1 4.13Å; F976-L1013 HydrophobicContact CD1-CB 4.37Å; F976-L1013 HydrophobicContact CD1-CD1 3.84Å; F976-L1013 HydrophobicContact CD1-CG 4.49Å; F976-L1013 HydrophobicContact CD2-CB 4.49Å; F976-L1013 HydrophobicContact CD2-CD1 3.97Å; F976-L1013 HydrophobicContact CE1-CB 3.89Å; F976-L1013 HydrophobicContact CE1-CD1 4.24Å; F976-L1013 HydrophobicContact CE1-CG 4.45Å; F976-L1013 HydrophobicContact CE2-CB 4.01Å; F976-L1013 HydrophobicContact CE2-CD1 4.35Å; F976-L1013 HydrophobicContact CG-CD1 3.69Å; F976-L1013 HydrophobicContact CZ-CB 3.69Å; F976-L1013 HydrophobicContact CZ-CD1 4.48Å; F977-L1013 HydrophobicContact CE1-CD2 4.23Å; F977-L1013 HydrophobicContact CZ-CD2 3.66Å; I1005-L1013 HydrophobicContact CB-CB 4.12Å; I1005-L1013 HydrophobicContact CB-CD2 4.1Å; I1005-L1013 HydrophobicContact CD1-CD2 4.02Å; I1005-L1013 HydrophobicContact CG1-CD2 4.49Å; I1005-L1013 WeakPolarHBondContact O-CB 3.47Å; I1005-L1013 PolarHBondContact O-N 2.7Å; L1013-F1016 HydrophobicContact CD1-CD1 4.18Å; L1013-F1016 WeakPolarHBondContact O-CB 3.49Å; L1013-F1016 PolarHBondContact O-N 2.91Å; L1013-F1016 VanDerWaalsContact O-N 3.17Å; L1013-V1017 HydrophobicContact CD1-CG2 3.9Å; L1013-V1017 HydrophobicContact CG-CG2 4.37Å; L1013-V1017 WeakPolarHBondContact O-CB 3.46Å; L1013-V1017 VanDerWaalsContact O-CG2 3.28Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.29Å; L1013-V1017 PolarHBondContact O-N 3.24Å |
| 1014 | L | 93.6 | Very high | 89.1 | Confident | 31 Ų | 31 | 51.4 Ų | 51.4 | 16% | 0.162 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.2 | -48.7 | 178.6 | 178.1 | 63.4 | 0 | 0 | 0 | 110.5 | I952 L955 N1004 D1012 F1016 V1017 I1018 | I952-L1014 HydrophobicContact CG2-CD1 4.27Å; L955-L1014 HydrophobicContact CD1-CD1 3.81Å; L955-L1014 HydrophobicContact CD2-CD1 3.84Å; L955-L1014 HydrophobicContact CG-CD1 4.25Å; N1004-L1014 WeakPolarHBondContact OD1-CB 3.48Å; N1004-L1014 PolarHBondContact OD1-N 2.62Å; D1012-L1014 WeakPolarHBondContact OD1-CA 3.31Å; D1012-L1014 PolarHBondContact OD1-N 3.5Å; L1014-F1016 VanDerWaalsContact C-N 3.34Å; L1014-F1016 PolarHBondContact O-N 2.88Å; L1014-V1017 PolarHBondContact O-N 3.4Å; L1014-I1018 HydrophobicContact CD1-CD1 3.66Å; L1014-I1018 HydrophobicContact CD1-CG1 4.19Å; L1014-I1018 HydrophobicContact CG-CD1 3.87Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.38Å; L1014-I1018 PolarHBondContact O-N 3.38Å |
| 1015 | S | 92.1 | Very high | 88.8 | Confident | 53 Ų | 53 | 53.5 Ų | 53.5 | 37% | 0.371 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.7 | -34.8 | 173.5 | -65.7 | 0 | 0 | 0 | 0 | 112.1 | D1012 V1017 N1019 | D1012-S1015 VanDerWaalsContact CG-OG 3.23Å; D1012-S1015 PolarHBondContact OD1-N 3.21Å; D1012-S1015 VanDerWaalsContact OD2-CB 3.22Å; D1012-S1015 WeakPolarHBondContact OD2-CB 3.45Å; D1012-S1015 PolarHBondContact OD2-OG 2.78Å; S1015-V1017 VanDerWaalsContact C-N 3.29Å; S1015-V1017 PolarHBondContact O-N 3.43Å; S1015-N1019 WeakPolarHBondContact O-CB 3.41Å; S1015-N1019 PolarHBondContact O-N 2.83Å; S1015-N1019 PolarHBondContact O-ND2 3.44Å |
| 1016 | F | 91.1 | Very high | 88.5 | Confident | 13 Ų | 13 | 54 Ų | 54 | 6% | 0.057 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61 | -39.3 | 173.4 | 175.7 | -90 | 0 | 0 | 0 | 112.2 | L971 V972 D975 F976 D1012 L1013 L1014 R1020 | L971-F1016 HydrophobicContact CD2-CE1 3.81Å; L971-F1016 HydrophobicContact CD2-CZ 3.5Å; L971-F1016 VanDerWaalsContact CD2-CZ 3.5Å; V972-F1016 HydrophobicContact CG2-CD1 4.23Å; V972-F1016 HydrophobicContact CG2-CE1 3.92Å; D975-F1016 HydrophobicContact CB-CE2 4.27Å; D975-F1016 HydrophobicContact CB-CZ 3.72Å; F976-F1016 HydrophobicContact CB-CD1 4.21Å; F976-F1016 HydrophobicContact CB-CE1 4.17Å; F976-F1016 HydrophobicContact CB-CZ 4.43Å; F976-F1016 HydrophobicContact CD2-CB 3.89Å; F976-F1016 HydrophobicContact CD2-CD1 4.2Å; F976-F1016 HydrophobicContact CD2-CD2 4.09Å; F976-F1016 AromaticContact CD2-CG 3.79Å; F976-F1016 HydrophobicContact CD2-CG 3.79Å; F976-F1016 HydrophobicContact CE2-CB 4.22Å; D1012-F1016 WeakPolarHBondContact O-CB 3.28Å; D1012-F1016 PolarHBondContact O-N 3.04Å; L1013-F1016 HydrophobicContact CD1-CD1 4.18Å; L1013-F1016 WeakPolarHBondContact O-CB 3.49Å; L1013-F1016 PolarHBondContact O-N 2.91Å; L1013-F1016 VanDerWaalsContact O-N 3.17Å; L1014-F1016 VanDerWaalsContact C-N 3.34Å; L1014-F1016 PolarHBondContact O-N 2.88Å; F1016-R1020 WeakPolarHBondContact O-CD 3.44Å; F1016-R1020 WeakPolarHBondContact O-CG 3.4Å; F1016-R1020 PolarHBondContact O-NH1 2.97Å |
| 1017 | V | 91.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -76.4 | -53.4 | -178.4 | 169.7 | 0 | 0 | 0 | 0 | 111.7 | P841 L955 W964 V972 L1013 L1014 S1015 N1019 R1020 F1021 | P841-V1017 HydrophobicContact CB-CG1 3.98Å; P841-V1017 HydrophobicContact CB-CG2 3.8Å; L955-V1017 HydrophobicContact CD1-CG1 4.47Å; L955-V1017 HydrophobicContact CD2-CG1 4.28Å; W964-V1017 HydrophobicContact CH2-CG1 3.72Å; W964-V1017 HydrophobicContact CZ3-CG1 4.09Å; V972-V1017 HydrophobicContact CG2-CG2 3.93Å; L1013-V1017 HydrophobicContact CD1-CG2 3.9Å; L1013-V1017 HydrophobicContact CG-CG2 4.37Å; L1013-V1017 WeakPolarHBondContact O-CB 3.46Å; L1013-V1017 VanDerWaalsContact O-CG2 3.28Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.29Å; L1013-V1017 PolarHBondContact O-N 3.24Å; L1014-V1017 PolarHBondContact O-N 3.4Å; S1015-V1017 VanDerWaalsContact C-N 3.29Å; S1015-V1017 PolarHBondContact O-N 3.43Å; V1017-N1019 VanDerWaalsContact C-N 3.27Å; V1017-N1019 PolarHBondContact O-N 2.96Å; V1017-R1020 PolarHBondContact O-N 2.88Å; V1017-F1021 HydrophobicContact CB-CD2 4.33Å; V1017-F1021 HydrophobicContact CG1-CD2 3.98Å; V1017-F1021 WeakPolarHBondContact O-CD2 3.05Å; V1017-F1021 PolarHBondContact O-N 3.13Å |
| 1018 | I | 88.4 | Confident | 88.4 | Confident | 79 Ų | 79 | 61.5 Ų | 61.5 | 41% | 0.405 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.5 | -38 | -177.7 | -69 | 174 | 0 | 0 | 0 | 111.4 | L1014 R1020 | L1014-I1018 HydrophobicContact CD1-CD1 3.66Å; L1014-I1018 HydrophobicContact CD1-CG1 4.19Å; L1014-I1018 HydrophobicContact CG-CD1 3.87Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.38Å; L1014-I1018 PolarHBondContact O-N 3.38Å; I1018-R1020 PolarHBondContact O-N 3.32Å |
| 1019 | N | 85.3 | Confident | 88.8 | Confident | 127 Ų | 127 | 57.7 Ų | 57.7 | 68% | 0.679 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | 4 | 177.9 | -70.4 | -64.8 | 0 | 0 | 0 | 114.4 | S1015 V1017 | S1015-N1019 WeakPolarHBondContact O-CB 3.41Å; S1015-N1019 PolarHBondContact O-N 2.83Å; S1015-N1019 PolarHBondContact O-ND2 3.44Å; V1017-N1019 VanDerWaalsContact C-N 3.27Å; V1017-N1019 PolarHBondContact O-N 2.96Å |
| 1020 | R | 81.7 | Confident | 89.3 | Confident | 111 Ų | 111 | 54.4 Ų | 54.4 | 42% | 0.419 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134 | -24.8 | -177.2 | -72.9 | 179.5 | 179 | 70.1 | 9.3 | 114.9 | F1016 V1017 I1018 | F1016-R1020 WeakPolarHBondContact O-CD 3.44Å; F1016-R1020 WeakPolarHBondContact O-CG 3.4Å; F1016-R1020 PolarHBondContact O-NH1 2.97Å; V1017-R1020 PolarHBondContact O-N 2.88Å; I1018-R1020 PolarHBondContact O-N 3.32Å |
| 1021 | F | 82.9 | Confident | 89.7 | Confident | 24 Ų | 24 | 57.7 Ų | 57.7 | 11% | 0.105 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -129 | 156.3 | -173.7 | -54 | -71 | 0 | 0 | 0 | 111.7 | W964 A968 L971 V972 V1017 S1023 | W964-F1021 HydrophobicContact CZ3-CB 4.13Å; A968-F1021 VanDerWaalsContact CA-CE1 3.42Å; A968-F1021 HydrophobicContact CB-CD1 3.57Å; A968-F1021 HydrophobicContact CB-CD2 4.47Å; A968-F1021 HydrophobicContact CB-CE1 3.4Å; A968-F1021 HydrophobicContact CB-CE2 4.34Å; A968-F1021 HydrophobicContact CB-CG 4.12Å; A968-F1021 HydrophobicContact CB-CZ 3.81Å; L971-F1021 HydrophobicContact CB-CZ 4.06Å; L971-F1021 HydrophobicContact CD1-CZ 4.2Å; L971-F1021 HydrophobicContact CD2-CE2 4.48Å; L971-F1021 HydrophobicContact CD2-CZ 3.92Å; L971-F1021 HydrophobicContact CG-CZ 4.28Å; V972-F1021 HydrophobicContact CG2-CE2 4.01Å; V1017-F1021 HydrophobicContact CB-CD2 4.33Å; V1017-F1021 HydrophobicContact CG1-CD2 3.98Å; V1017-F1021 WeakPolarHBondContact O-CD2 3.05Å; V1017-F1021 PolarHBondContact O-N 3.13Å; F1021-S1023 PolarHBondContact O-N 2.71Å; F1021-S1023 VanDerWaalsContact O-N 3.16Å |
| 1022 | R | 78.8 | Confident | 89.9 | Confident | 99 Ų | 99 | 56.7 Ų | 56.7 | 37% | 0.374 | 28% | 0.281 | S | S | . | . | trans | -76.5 | 97.1 | 171.9 | -73.6 | -167.9 | -159.3 | -158.7 | 5.3 | 110 | H578 K764 E958 | H578-R1022 PolarHBondContact CD2-NH1 3.17Å; H578-R1022 PolarHBondContact NE2-NH2 2.69Å; H578-R1022 VanDerWaalsContact NE2-NH2 3.18Å; K764-R1022 VanDerWaalsContact CE-CZ 3.49Å; K764-R1022 VanDerWaalsContact CE-NH1 3.34Å; E958-R1022 HydrophobicContact CB-CB 4.1Å; E958-R1022 VanDerWaalsContact CD-CB 3.44Å; E958-R1022 HydrophobicContact CG-CB 4Å; E958-R1022 PolarHBondContact N-O 2.86Å; E958-R1022 WeakPolarHBondContact OE1-CA 3.47Å; E958-R1022 WeakPolarHBondContact OE2-CB 3.43Å; E958-R1022 WeakPolarHBondContact OE2-CD 3.15Å | ||
| 1023 | S | 87.6 | Confident | 90 | Very high | 18 Ų | 18 | 54.7 Ų | 54.7 | 13% | 0.126 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 142.4 | -173.7 | 59.1 | 0 | 0 | 0 | 0 | 111.8 | Q956 F1021 | Q956-S1023 CarbonylContact O-C 3.53Å; Q956-S1023 VanDerWaalsContact O-CA 3.26Å; Q956-S1023 WeakPolarHBondContact O-CA 3.05Å; Q956-S1023 WeakPolarHBondContact O-CB 3.29Å; F1021-S1023 PolarHBondContact O-N 2.71Å; F1021-S1023 VanDerWaalsContact O-N 3.16Å |
| 1024 | H | 88.6 | Confident | 90 | Very high | 63 Ų | 63 | 57.2 Ų | 57.2 | 29% | 0.292 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 142 | 176.3 | 173.8 | 71.2 | 0 | 0 | 0 | 110 | R767 Q956 | R767-H1024 WeakPolarHBondContact CD-NE2 3.43Å; R767-H1024 PolarHBondContact NE-CD2 3.14Å; R767-H1024 VanDerWaalsContact NE-CD2 3.34Å; R767-H1024 PolarHBondContact NE-NE2 2.95Å; Q956-H1024 HydrophobicContact CG-CB 4.38Å; Q956-H1024 PolarHBondContact N-O 2.9Å; Q956-H1024 PolarHBondContact O-N 3.27Å |
| 1025 | Q | 91 | Very high | 90 | Very high | 55 Ų | 55 | 58 Ų | 58 | 26% | 0.257 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 110.3 | 176 | -177.1 | 61.6 | 22.4 | 0 | 0 | 108.6 | L953 E1027 | L953-Q1025 PolarHBondContact O-NE2 3.48Å; Q1025-E1027 PolarHBondContact O-N 2.88Å |
| 1026 | D | 90.9 | Very high | 90 | Very high | 13 Ų | 13 | 55.9 Ų | 55.9 | 7% | 0.07 | 28% | 0.279 | C | S | . | . | trans | -88.2 | 97.1 | -179.7 | -170.2 | -29.5 | 0 | 0 | 0 | 109.9 | G954 Q956 C1028 C1029 K1032 | G954-D1026 PolarHBondContact O-N 3.39Å; Q956-D1026 VanDerWaalsContact NE2-CB 3.28Å; D1026-C1028 PolarHBondContact O-N 3.38Å; D1026-C1028 WeakPolarHBondContact OD1-CB 3.48Å; D1026-C1028 PolarHBondContact OD1-N 3.25Å; D1026-C1029 HydrophobicContact CB-CB 4.36Å; D1026-C1029 WeakPolarHBondContact O-CB 3.38Å; D1026-C1029 PolarHBondContact O-N 3.16Å; D1026-C1029 PolarHBondContact OD1-N 2.84Å; D1026-K1032 IonicContact OD1-NZ 2.71Å; D1026-K1032 IonicContact OD2-NZ 3.16Å; D1026-K1032 PolarHBondContact OD2-NZ 2.71Å | ||
| 1027 | E | 90.3 | Very high | 90 | Very high | 179 Ų | 179 | 57 Ų | 57 | 84% | 0.836 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -27.8 | -178.5 | -59.4 | -174.9 | 160 | 0 | 0 | 112.4 | Q1025 C1029 | Q1025-E1027 PolarHBondContact O-N 2.88Å; E1027-C1029 PolarHBondContact O-N 3.48Å |
| 1028 | C | 91.1 | Very high | 90.1 | Very high | 67 Ų | 67 | 65.3 Ų | 65.3 | 45% | 0.453 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -2.9 | 177 | -65.5 | 0 | 0 | 0 | 0 | 113.5 | D1026 Q1030 L1031 K1032 | D1026-C1028 PolarHBondContact O-N 3.38Å; D1026-C1028 WeakPolarHBondContact OD1-CB 3.48Å; D1026-C1028 PolarHBondContact OD1-N 3.25Å; C1028-Q1030 VanDerWaalsContact C-N 3.31Å; C1028-Q1030 PolarHBondContact O-N 3.15Å; C1028-L1031 WeakPolarHBondContact O-CB 3.31Å; C1028-L1031 PolarHBondContact O-N 2.7Å; C1028-K1032 WeakPolarHBondContact O-CG 3.36Å; C1028-K1032 PolarHBondContact O-N 2.74Å; C1028-K1032 VanDerWaalsContact O-N 3.09Å |
| 1029 | C | 94.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.2 | -37.4 | -175 | -174.4 | 0 | 0 | 0 | 0 | 114 | L953 G954 D1026 E1027 K1032 L1033 | L953-C1029 HydrophobicContact CD1-CB 4.05Å; L953-C1029 HydrophobicContact CG-CB 4.29Å; G954-C1029 VanDerWaalsContact CA-CB 3.49Å; G954-C1029 PolarHBondContact N-SG 3.48Å; G954-C1029 VanDerWaalsContact N-SG 3.4Å; D1026-C1029 HydrophobicContact CB-CB 4.36Å; D1026-C1029 WeakPolarHBondContact O-CB 3.38Å; D1026-C1029 PolarHBondContact O-N 3.16Å; D1026-C1029 PolarHBondContact OD1-N 2.84Å; E1027-C1029 PolarHBondContact O-N 3.48Å; C1029-K1032 PolarHBondContact O-N 3.16Å; C1029-L1033 WeakPolarHBondContact O-CG 3.34Å; C1029-L1033 PolarHBondContact O-N 3.33Å; C1029-L1033 VanDerWaalsContact O-N 3.08Å |
| 1030 | Q | 94.2 | Very high | 90.3 | Very high | 38 Ų | 38 | 59.6 Ų | 59.6 | 18% | 0.178 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.3 | -43 | 176.3 | -172 | 64.1 | 62.3 | 0 | 0 | 111.1 | L953 S994 C1028 K1032 L1033 D1034 | L953-Q1030 HydrophobicContact CD1-CB 4.38Å; L953-Q1030 HydrophobicContact CD2-CB 4.11Å; S994-Q1030 PolarHBondContact OG-NE2 2.94Å; S994-Q1030 PolarHBondContact OG-OE1 2.9Å; C1028-Q1030 VanDerWaalsContact C-N 3.31Å; C1028-Q1030 PolarHBondContact O-N 3.15Å; Q1030-K1032 VanDerWaalsContact C-N 3.27Å; Q1030-K1032 PolarHBondContact O-N 3.03Å; Q1030-L1033 PolarHBondContact O-N 3.44Å; Q1030-L1033 VanDerWaalsContact O-N 3.16Å; Q1030-D1034 PolarHBondContact NE2-OD1 3.39Å; Q1030-D1034 WeakPolarHBondContact O-CB 3.44Å; Q1030-D1034 PolarHBondContact O-N 3.37Å |
| 1031 | L | 94.5 | Very high | 90.6 | Very high | 120 Ų | 120 | 58.8 Ų | 58.8 | 63% | 0.628 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -61.5 | -36.5 | 178.9 | -60.1 | 175.3 | 0 | 0 | 0 | 111.9 | C1028 A1035 | C1028-L1031 WeakPolarHBondContact O-CB 3.31Å; C1028-L1031 PolarHBondContact O-N 2.7Å; L1031-A1035 WeakPolarHBondContact O-CB 3.23Å; L1031-A1035 PolarHBondContact O-N 2.94Å |
| 1032 | K | 94.4 | Very high | 90.7 | Very high | 56 Ų | 56 | 62.2 Ų | 62.2 | 24% | 0.243 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67 | -44.7 | 174.3 | -63.8 | 173.5 | -178.9 | -178.3 | 0 | 112 | F800 D802 D1026 C1028 C1029 Q1030 A1035 M1036 | F800-K1032 WeakPolarHBondContact O-CB 3.42Å; F800-K1032 WeakPolarHBondContact O-CD 3.35Å; D802-K1032 HydrophobicContact CB-CD 4.37Å; D802-K1032 WeakPolarHBondContact OD2-CE 3.12Å; D802-K1032 IonicContact OD2-NZ 2.72Å; D802-K1032 PolarHBondContact OD2-NZ 3.07Å; D1026-K1032 IonicContact OD1-NZ 2.71Å; D1026-K1032 IonicContact OD2-NZ 3.16Å; D1026-K1032 PolarHBondContact OD2-NZ 2.71Å; C1028-K1032 WeakPolarHBondContact O-CG 3.36Å; C1028-K1032 PolarHBondContact O-N 2.74Å; C1028-K1032 VanDerWaalsContact O-N 3.09Å; C1029-K1032 PolarHBondContact O-N 3.16Å; Q1030-K1032 VanDerWaalsContact C-N 3.27Å; Q1030-K1032 PolarHBondContact O-N 3.03Å; K1032-A1035 PolarHBondContact O-N 3.09Å; K1032-M1036 PolarHBondContact O-N 3.06Å |
| 1033 | L | 94.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.7 | -40 | 175.7 | -70.8 | 167.3 | 0 | 0 | 0 | 111.8 | L953 I996 F1001 C1029 Q1030 A1035 M1036 V1037 | L953-L1033 HydrophobicContact CD1-CD1 3.75Å; I996-L1033 HydrophobicContact CD1-CB 3.88Å; F1001-L1033 HydrophobicContact CD1-CD1 4.01Å; F1001-L1033 HydrophobicContact CD2-CD1 4.45Å; F1001-L1033 HydrophobicContact CE1-CD1 3.68Å; F1001-L1033 HydrophobicContact CE2-CD1 4.16Å; F1001-L1033 HydrophobicContact CG-CD1 4.39Å; F1001-L1033 HydrophobicContact CZ-CD1 3.76Å; F1001-L1033 HydrophobicContact CZ-CD2 4.13Å; C1029-L1033 WeakPolarHBondContact O-CG 3.34Å; C1029-L1033 PolarHBondContact O-N 3.33Å; C1029-L1033 VanDerWaalsContact O-N 3.08Å; Q1030-L1033 PolarHBondContact O-N 3.44Å; Q1030-L1033 VanDerWaalsContact O-N 3.16Å; L1033-A1035 VanDerWaalsContact C-N 3.34Å; L1033-M1036 HydrophobicContact CD2-CE 3.88Å; L1033-M1036 WeakPolarHBondContact O-CB 3.2Å; L1033-M1036 PolarHBondContact O-N 2.73Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.49Å; L1033-V1037 PolarHBondContact O-N 2.89Å |
| 1034 | D | 93.8 | Very high | 89.7 | Confident | 54 Ų | 54 | 62.1 Ų | 62.1 | 29% | 0.289 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.9 | -37.8 | 174.9 | -64 | -14 | 0 | 0 | 0 | 111.5 | Q1030 V1037 K1038 | Q1030-D1034 PolarHBondContact NE2-OD1 3.39Å; Q1030-D1034 WeakPolarHBondContact O-CB 3.44Å; Q1030-D1034 PolarHBondContact O-N 3.37Å; D1034-V1037 PolarHBondContact O-N 2.65Å; D1034-K1038 WeakPolarHBondContact O-CB 3.45Å; D1034-K1038 WeakPolarHBondContact O-CD 3.21Å; D1034-K1038 WeakPolarHBondContact O-CG 3.08Å; D1034-K1038 PolarHBondContact O-N 3.03Å |
| 1035 | A | 92.6 | Very high | 88.6 | Confident | 48 Ų | 48 | 65.3 Ų | 65.3 | 40% | 0.397 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.1 | -43.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1031 K1032 L1033 V1037 K1038 S1039 | L1031-A1035 WeakPolarHBondContact O-CB 3.23Å; L1031-A1035 PolarHBondContact O-N 2.94Å; K1032-A1035 PolarHBondContact O-N 3.09Å; L1033-A1035 VanDerWaalsContact C-N 3.34Å; A1035-V1037 VanDerWaalsContact C-N 3.32Å; A1035-V1037 PolarHBondContact O-N 3.3Å; A1035-K1038 PolarHBondContact O-N 3.24Å; A1035-S1039 WeakPolarHBondContact O-CB 3.14Å; A1035-S1039 PolarHBondContact O-N 3.01Å; A1035-S1039 PolarHBondContact O-OG 3.06Å |
| 1036 | M | 92.1 | Very high | 86.4 | Confident | 8 Ų | 8 | 72.1 Ų | 72.1 | 4% | 0.039 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.5 | -42.7 | 172.7 | 176.9 | -162.5 | 66.5 | 0 | 0 | 111.9 | M797 M814 I996 K1032 L1033 S1039 S1040 | M797-M1036 HydrophobicContact CG-CG 4.18Å; M797-M1036 HydrophobicContact CG-SD 3.61Å; M797-M1036 HydrophobicContact SD-CB 4.15Å; M797-M1036 HydrophobicContact SD-CG 3.8Å; M797-M1036 HydrophobicContact SD-SD 3.7Å; M814-M1036 HydrophobicContact CB-CG 4.26Å; M814-M1036 HydrophobicContact CE-CE 3.55Å; M814-M1036 HydrophobicContact CE-SD 4.17Å; M814-M1036 HydrophobicContact SD-CE 3.96Å; I996-M1036 HydrophobicContact CG2-CE 4.3Å; K1032-M1036 PolarHBondContact O-N 3.06Å; L1033-M1036 HydrophobicContact CD2-CE 3.88Å; L1033-M1036 WeakPolarHBondContact O-CB 3.2Å; L1033-M1036 PolarHBondContact O-N 2.73Å; M1036-S1039 WeakPolarHBondContact CA-OG 3.4Å; M1036-S1039 PolarHBondContact O-N 2.93Å; M1036-S1039 PolarHBondContact O-OG 2.88Å; M1036-S1039 VanDerWaalsContact O-OG 3.07Å; M1036-S1040 PolarHBondContact O-N 3.27Å |
| 1037 | V | 92.4 | Very high | 86.2 | Confident | 37 Ų | 37 | 75.1 Ų | 75.1 | 22% | 0.224 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.1 | -44 | 176.2 | 163.4 | 0 | 0 | 0 | 0 | 111.3 | M814 V819 I996 L1033 D1034 A1035 S1039 S1040 | M814-V1037 HydrophobicContact SD-CG2 4.29Å; V819-V1037 HydrophobicContact CG1-CG1 3.63Å; V819-V1037 HydrophobicContact CG1-CG2 4.45Å; V819-V1037 HydrophobicContact CG2-CG1 4.33Å; I996-V1037 HydrophobicContact CD1-CG2 4.11Å; I996-V1037 HydrophobicContact CG1-CG2 4.46Å; I996-V1037 HydrophobicContact CG2-CG2 3.64Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.49Å; L1033-V1037 PolarHBondContact O-N 2.89Å; D1034-V1037 PolarHBondContact O-N 2.65Å; A1035-V1037 VanDerWaalsContact C-N 3.32Å; A1035-V1037 PolarHBondContact O-N 3.3Å; V1037-S1039 VanDerWaalsContact C-N 3.29Å; V1037-S1039 PolarHBondContact O-N 3.3Å; V1037-S1040 VanDerWaalsContact O-CB 3.29Å; V1037-S1040 WeakPolarHBondContact O-CB 3.47Å; V1037-S1040 PolarHBondContact O-N 3.03Å; V1037-S1040 PolarHBondContact O-OG 3.01Å |
| 1038 | K | 91.8 | Very high | 85.9 | Confident | 173 Ų | 173 | 69.6 Ų | 69.6 | 75% | 0.752 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.9 | -28.6 | 177 | -71.6 | 164.1 | -172.6 | 170.5 | 0 | 113.2 | D1034 A1035 S1040 | D1034-K1038 WeakPolarHBondContact O-CB 3.45Å; D1034-K1038 WeakPolarHBondContact O-CD 3.21Å; D1034-K1038 WeakPolarHBondContact O-CG 3.08Å; D1034-K1038 PolarHBondContact O-N 3.03Å; A1035-K1038 PolarHBondContact O-N 3.24Å; K1038-S1040 VanDerWaalsContact C-N 3.29Å |
| 1039 | S | 89.2 | Confident | 85.7 | Confident | 63 Ų | 63 | 69.7 Ų | 69.7 | 44% | 0.441 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 8.9 | 177.3 | 68.5 | 0 | 0 | 0 | 0 | 114.3 | A1035 M1036 V1037 | A1035-S1039 WeakPolarHBondContact O-CB 3.14Å; A1035-S1039 PolarHBondContact O-N 3.01Å; A1035-S1039 PolarHBondContact O-OG 3.06Å; M1036-S1039 WeakPolarHBondContact CA-OG 3.4Å; M1036-S1039 PolarHBondContact O-N 2.93Å; M1036-S1039 PolarHBondContact O-OG 2.88Å; M1036-S1039 VanDerWaalsContact O-OG 3.07Å; V1037-S1039 VanDerWaalsContact C-N 3.29Å; V1037-S1039 PolarHBondContact O-N 3.3Å |
| 1040 | S | 90.1 | Very high | 85.1 | Confident | 24 Ų | 24 | 73.8 Ų | 73.8 | 17% | 0.168 | 38% | 0.383 | C | S | . | . | trans | -63 | 136.2 | -178.4 | 56.3 | 0 | 0 | 0 | 0 | 113.3 | M814 M1036 V1037 K1038 | M814-S1040 WeakPolarHBondContact O-CA 3.42Å; M814-S1040 WeakPolarHBondContact O-CB 3.5Å; M1036-S1040 PolarHBondContact O-N 3.27Å; V1037-S1040 VanDerWaalsContact O-CB 3.29Å; V1037-S1040 WeakPolarHBondContact O-CB 3.47Å; V1037-S1040 PolarHBondContact O-N 3.03Å; V1037-S1040 PolarHBondContact O-OG 3.01Å; K1038-S1040 VanDerWaalsContact C-N 3.29Å | ||
| 1041 | K | 87.6 | Confident | 84.6 | Confident | 93 Ų | 93 | 76 Ų | 76 | 40% | 0.404 | 40% | 0.396 | S | S | . | . | B | Isolated β-bridge | trans | -113 | 162.4 | -177 | -56.9 | -170.6 | -171.6 | -176 | 0 | 110.5 | E784 V813 M814 W815 R816 | E784-K1041 IonicContact OE1-NZ 2.85Å; E784-K1041 PolarHBondContact OE1-NZ 3.31Å; V813-K1041 HydrophobicContact CG1-CB 3.97Å; V813-K1041 HydrophobicContact CG1-CD 3.94Å; V813-K1041 HydrophobicContact CG1-CG 3.71Å; M814-K1041 PolarHBondContact O-N 3.17Å; M814-K1041 VanDerWaalsContact O-N 3.13Å; W815-K1041 CarbonylContact C-O 3.58Å; W815-K1041 VanDerWaalsContact CA-O 3.23Å; W815-K1041 WeakPolarHBondContact CA-O 3.2Å; R816-K1041 PolarHBondContact N-O 3.29Å |
| 1042 | D | 84.9 | Confident | 83.9 | Confident | 97 Ų | 97 | 73.1 Ų | 73.1 | 52% | 0.519 | 38% | 0.381 | S | S | . | . | trans | -67.2 | 152.3 | 173.3 | -62 | -58.2 | 0 | 0 | 0 | 111 | R816 P1044 | R816-D1042 WeakPolarHBondContact CD-OD1 3.36Å; R816-D1042 IonicContact CZ-OD1 2.63Å; R816-D1042 IonicContact CZ-OD2 2.65Å; R816-D1042 VanDerWaalsContact CZ-OD2 3.22Å; R816-D1042 IonicContact NE-OD1 2.68Å; R816-D1042 IonicContact NH1-OD1 2.67Å; R816-D1042 PolarHBondContact NH1-OD1 3.46Å; R816-D1042 IonicContact NH1-OD2 3.33Å; R816-D1042 PolarHBondContact NH1-OD2 3.13Å; R816-D1042 IonicContact NH2-OD2 3.1Å; R816-D1042 PolarHBondContact NH2-OD2 2.7Å; D1042-P1044 WeakPolarHBondContact O-CD 3.23Å | ||
| 1043 | C | 77.6 | Confident | 83.2 | Confident | 21 Ų | 21 | 74.3 Ų | 74.3 | 14% | 0.142 | 39% | 0.391 | C | S | . | . | trans | -74.9 | 121.8 | 175 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | W815 Y1045 M1046 | W815-C1043 HydrophobicContact CB-CB 4.44Å; W815-C1043 HydrophobicContact CD2-CB 3.88Å; W815-C1043 HydrophobicContact CE3-CB 4.24Å; W815-C1043 HydrophobicContact CG-CB 3.99Å; C1043-Y1045 PolarHBondContact O-N 3.15Å; C1043-M1046 HydrophobicContact CB-CG 4.07Å; C1043-M1046 HydrophobicContact CB-SD 4.26Å | ||
| 1044 | P | 68.7 | Low | 82.3 | Confident | 93 Ų | 93 | 79.9 Ų | 79.9 | 60% | 0.604 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 15.5 | -178 | 34.4 | -37.4 | 0 | 0 | 0 | 113.6 | D1042 | D1042-P1044 WeakPolarHBondContact O-CD 3.23Š|
| 1045 | Y | 64.2 | Low | 81.4 | Confident | 130 Ų | 130 | 82.1 Ų | 82.1 | 51% | 0.51 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.1 | 21.3 | -177 | -51.9 | -62.1 | 0 | 0 | 0 | 112.5 | W815 C1043 | W815-Y1045 HydrophobicContact CZ2-CD2 4.37Å; C1043-Y1045 PolarHBondContact O-N 3.15Å |
| 1046 | M | 45.1 | Very low | 80.3 | Confident | 198 Ų | 198 | 85.2 Ų | 85.2 | 98% | 0.975 | 43% | 0.434 | S | S | * | . | trans | -99 | 0 | 167.6 | -77.4 | -175.1 | 171 | 0 | 0 | 110.5 | D817 C1043 | D817-M1046 HydrophobicContact CB-CE 4.15Å; D817-M1046 WeakPolarHBondContact OD2-CE 3.09Å; C1043-M1046 HydrophobicContact CB-CG 4.07Å; C1043-M1046 HydrophobicContact CB-SD 4.26Å |
Retrieved 1,046 of 1,046 residues in 2473.2 ms
(Link to these results)