| 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 | 27.2 | Very low | 46.8 | Very low | 172 Ų | 172 | 96.6 Ų | 96.6 | 85% | 0.847 | 54% | 0.542 | S | S | * | . | 0 | 167.5 | 0 | -80.7 | 172.2 | 167.1 | 0 | 0 | 108.1 | L775 H776 | M1-L775 VanDerWaalsContact O-CD2 3.31Å; M1-L775 WeakPolarHBondContact O-CD2 3.42Å; M1-H776 VanDerWaalsContact C-CE1 3.48Å; M1-H776 PolarHBondContact O-CE1 3.36Å; M1-H776 PolarHBondContact O-NE2 3.31Å | |||
| 2 | E | 20.7 | Very low | 49.2 | Very low | 137 Ų | 137 | 97.8 Ų | 97.8 | 64% | 0.64 | 54% | 0.537 | S | S | * | . | trans | -117.6 | 162.9 | 166.6 | -75.4 | -178.3 | 144.6 | 0 | 0 | 107.8 | I4 L775 | E2-I4 PolarHBondContact O-N 3.38Å; E2-L775 HydrophobicContact CG-CD1 4.35Å; E2-L775 HydrophobicContact CG-CD2 4.06Å; E2-L775 HydrophobicContact CG-CG 4.17Å | ||
| 3 | P | 23.1 | Very low | 51.9 | Low | 68 Ų | 68 | 99.9 Ų | 99.9 | 44% | 0.442 | 54% | 0.538 | S | S | . | . | trans | -60.6 | 109.9 | 172.8 | 25.5 | -34 | 0 | 0 | 0 | 109.2 | G5 L775 H776 | P3-G5 VanDerWaalsContact C-N 3.31Å; P3-G5 PolarHBondContact O-N 3.06Å; P3-L775 WeakPolarHBondContact CD-O 3.23Å; P3-H776 HydrophobicContact CB-CB 4.37Å; P3-H776 VanDerWaalsContact N-CD2 3.27Å | ||
| 4 | I | 29.6 | Very low | 54 | Low | 88 Ų | 88 | 97.1 Ų | 97.1 | 45% | 0.451 | 53% | 0.526 | S | S | . | . | trans | -66.9 | 90.5 | -177.2 | -56.6 | 174.8 | 0 | 0 | 0 | 108.9 | E2 L7 | E2-I4 PolarHBondContact O-N 3.38Å; I4-L7 HydrophobicContact CG2-CD1 3.72Å; I4-L7 HydrophobicContact CG2-CG 3.77Å | ||
| 5 | G | 28.9 | Very low | 55.4 | Low | 59 Ų | 59 | 97.6 Ų | 97.6 | 61% | 0.608 | 53% | 0.533 | S | S | * | . | trans | -55.6 | 151.1 | 164 | 0 | 0 | 0 | 0 | 0 | 109.9 | P3 L7 | P3-G5 VanDerWaalsContact C-N 3.31Å; P3-G5 PolarHBondContact O-N 3.06Å; G5-L7 PolarHBondContact O-N 2.95Å | ||
| 6 | N | 38.4 | Very low | 56 | Low | 131 Ų | 131 | 96.1 Ų | 96.1 | 70% | 0.701 | 53% | 0.532 | S | S | * | . | trans | -39.3 | 112.7 | -173.5 | -72 | -49.5 | 0 | 0 | 0 | 111.9 | Q8 | N6-Q8 VanDerWaalsContact C-N 3.27Å; N6-Q8 PolarHBondContact O-N 3.3Å | ||
| 7 | L | 50.8 | Low | 56.4 | Low | 53 Ų | 53 | 95.4 Ų | 95.4 | 28% | 0.277 | 55% | 0.552 | S | S | . | * | trans | -64.6 | 85.1 | -178.4 | -91.7 | 159.9 | 0 | 0 | 0 | 110.1 | I4 G5 V9 D34 F35 H38 | I4-L7 HydrophobicContact CG2-CD1 3.72Å; I4-L7 HydrophobicContact CG2-CG 3.77Å; G5-L7 PolarHBondContact O-N 2.95Å; L7-V9 PolarHBondContact O-N 2.9Å; L7-D34 HydrophobicContact CD1-CB 4.19Å; L7-F35 HydrophobicContact CB-CD2 4.49Å; L7-H38 HydrophobicContact CD1-CB 4.26Å | ||
| 8 | Q | 58 | Low | 56.9 | Low | 185 Ų | 185 | 94.2 Ų | 94.2 | 86% | 0.864 | 56% | 0.563 | S | S | * | * | trans | -72 | 74.8 | 170.3 | -73.8 | -168.5 | -13.4 | 0 | 0 | 109.2 | N6 | N6-Q8 VanDerWaalsContact C-N 3.27Å; N6-Q8 PolarHBondContact O-N 3.3Å | ||
| 9 | V | 75.2 | Confident | 57.7 | Low | 18 Ų | 18 | 91.9 Ų | 91.9 | 11% | 0.109 | 55% | 0.55 | C | S | . | * | trans | -70.2 | 128.1 | 164.2 | 174.3 | 0 | 0 | 0 | 0 | 107.9 | L7 S11 A24 S25 P26 F35 | L7-V9 PolarHBondContact O-N 2.9Å; V9-S11 PolarHBondContact O-N 2.78Å; V9-A24 HydrophobicContact CG1-CB 3.86Å; V9-S25 VanDerWaalsContact CG1-C 3.47Å; V9-P26 HydrophobicContact CG1-CB 4.33Å; V9-P26 HydrophobicContact CG1-CG 3.92Å; V9-P26 HydrophobicContact CG2-CB 4.32Å; V9-P26 HydrophobicContact CG2-CG 4.36Å; V9-F35 HydrophobicContact CB-CD2 4.06Å; V9-F35 HydrophobicContact CB-CE2 4.11Å; V9-F35 HydrophobicContact CB-CG 4.49Å; V9-F35 HydrophobicContact CG2-CB 3.98Å; V9-F35 HydrophobicContact CG2-CD1 4.49Å; V9-F35 HydrophobicContact CG2-CD2 3.49Å; V9-F35 VanDerWaalsContact CG2-CD2 3.49Å; V9-F35 HydrophobicContact CG2-CE2 4.07Å; V9-F35 HydrophobicContact CG2-CG 3.74Å | ||
| 10 | P | 79.8 | Confident | 58.7 | Low | 75 Ų | 75 | 90.2 Ų | 90.2 | 49% | 0.487 | 54% | 0.54 | S | S | . | . | trans | -53.2 | 123 | 171.5 | -26.9 | 34.9 | 0 | 0 | 0 | 110.6 | S25 | P10-S25 PolarHBondContact O-N 3.05Š| ||
| 11 | S | 82.6 | Confident | 59.8 | Low | 77 Ų | 77 | 86.4 Ų | 86.4 | 54% | 0.538 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 141.2 | -176.4 | 69.2 | 0 | 0 | 0 | 0 | 112.8 | V9 Y23 | V9-S11 PolarHBondContact O-N 2.78Å; S11-Y23 CarbonylContact C-O 3.52Å; S11-Y23 WeakPolarHBondContact CA-O 3.44Å; S11-Y23 VanDerWaalsContact CB-O 3.22Å; S11-Y23 WeakPolarHBondContact CB-O 3.48Å |
| 12 | F | 76.4 | Confident | 62.8 | Low | 110 Ų | 110 | 78.9 Ų | 78.9 | 48% | 0.482 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 155.8 | 174.5 | 63.1 | -84.7 | 0 | 0 | 0 | 110.3 | V14 Y23 | F12-V14 HydrophobicContact CD2-CG2 3.74Å; F12-V14 HydrophobicContact CE2-CG2 3.64Å; F12-Y23 HydrophobicContact CD2-CD2 4.34Å; F12-Y23 HydrophobicContact CE1-CG 4.27Å; F12-Y23 AromaticContact CE2-CD2 3.74Å; F12-Y23 HydrophobicContact CE2-CD2 3.74Å; F12-Y23 AromaticContact CE2-CG 3.86Å; F12-Y23 HydrophobicContact CE2-CG 3.86Å; F12-Y23 VanDerWaalsContact CZ-CB 3.45Å; F12-Y23 HydrophobicContact CZ-CD1 4.28Å; F12-Y23 HydrophobicContact CZ-CD2 4.07Å; F12-Y23 AromaticContact CZ-CG 3.68Å; F12-Y23 HydrophobicContact CZ-CG 3.68Å; F12-Y23 PolarHBondContact N-O 3Å; F12-Y23 PolarHBondContact O-N 3.48Å |
| 13 | K | 84.4 | Confident | 65.8 | Low | 126 Ų | 126 | 74.6 Ų | 74.6 | 55% | 0.548 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 136.3 | 177.9 | -63.5 | -157.2 | 176.8 | -143 | 0 | 111.2 | T20 F21 T22 E144 | K13-T20 HydrophobicContact CB-CG2 4.3Å; K13-T20 HydrophobicContact CD-CG2 3.9Å; K13-F21 CarbonylContact C-O 3.48Å; K13-F21 VanDerWaalsContact CA-O 3.27Å; K13-F21 WeakPolarHBondContact CA-O 3.47Å; K13-T22 WeakPolarHBondContact CE-OG1 3.5Å; K13-T22 HydrophobicContact CG-CG2 4.16Å; K13-T22 PolarHBondContact NZ-OG1 3.09Å; K13-E144 IonicContact NZ-OE1 2.9Å; K13-E144 PolarHBondContact NZ-OE1 3.39Å |
| 14 | V | 80.4 | Confident | 68.8 | Low | 61 Ų | 61 | 71.4 Ų | 71.4 | 37% | 0.37 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 132.2 | 175.5 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | F12 F21 Y23 | F12-V14 HydrophobicContact CD2-CG2 3.74Å; F12-V14 HydrophobicContact CE2-CG2 3.64Å; V14-F21 PolarHBondContact N-O 2.63Å; V14-F21 PolarHBondContact O-N 3.05Å; V14-Y23 HydrophobicContact CB-CD2 4.5Å; V14-Y23 HydrophobicContact CB-CE2 4.15Å; V14-Y23 HydrophobicContact CG2-CD2 4.03Å; V14-Y23 HydrophobicContact CG2-CE2 3.99Å |
| 15 | V | 75.2 | Confident | 71.4 | Confident | 104 Ų | 104 | 69.4 Ų | 69.4 | 63% | 0.63 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 122.2 | 172.7 | -177 | 0 | 0 | 0 | 0 | 108.5 | T19 | V15-T19 WeakPolarHBondContact CA-O 3.46Å |
| 16 | S | 65.4 | Low | 74 | Confident | 74 Ų | 74 | 66.8 Ų | 66.8 | 52% | 0.517 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 133.9 | 177.4 | -172.7 | 0 | 0 | 0 | 0 | 110.1 | G18 T19 | S16-G18 PolarHBondContact O-N 3.42Å; S16-G18 VanDerWaalsContact O-N 3.11Å; S16-T19 PolarHBondContact N-O 2.83Å; S16-T19 PolarHBondContact O-N 3.23Å |
| 17 | G | 62.7 | Low | 75.9 | Confident | 84 Ų | 84 | 69 Ų | 69 | 87% | 0.866 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 25.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | T19 | G17-T19 PolarHBondContact O-N 3.04Š|
| 18 | G | 64.8 | Low | 77.3 | Confident | 74 Ų | 74 | 67.9 Ų | 67.9 | 76% | 0.763 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | -4.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S16 | S16-G18 PolarHBondContact O-N 3.42Å; S16-G18 VanDerWaalsContact O-N 3.11Å |
| 19 | T | 72.6 | Confident | 78.2 | Confident | 51 Ų | 51 | 61.3 Ų | 61.3 | 31% | 0.313 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 140.1 | 176.2 | -56.2 | 0 | 0 | 0 | 0 | 110.3 | V15 S16 G17 F21 M145 | V15-T19 WeakPolarHBondContact CA-O 3.46Å; S16-T19 PolarHBondContact N-O 2.83Å; S16-T19 PolarHBondContact O-N 3.23Å; G17-T19 PolarHBondContact O-N 3.04Å; T19-F21 HydrophobicContact CG2-CD2 4.47Å; T19-F21 HydrophobicContact CG2-CE2 3.92Å; T19-F21 HydrophobicContact CG2-CZ 4.01Å; T19-M145 HydrophobicContact CG2-CB 4.38Å; T19-M145 HydrophobicContact CG2-CE 4.29Å; T19-M145 HydrophobicContact CG2-CG 3.44Å; T19-M145 VanDerWaalsContact CG2-CG 3.44Å |
| 20 | T | 77.5 | Confident | 78.4 | Confident | 57 Ų | 57 | 63 Ų | 63 | 35% | 0.35 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 116.4 | 176.4 | -59.3 | 0 | 0 | 0 | 0 | 110.5 | K13 M145 | K13-T20 HydrophobicContact CB-CG2 4.3Å; K13-T20 HydrophobicContact CD-CG2 3.9Å; T20-M145 PolarHBondContact O-N 3.37Å |
| 21 | F | 83.3 | Confident | 78.4 | Confident | 10 Ų | 10 | 60.4 Ų | 60.4 | 4% | 0.044 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 121.9 | 173.7 | -64.8 | -90.7 | 0 | 0 | 0 | 109.7 | K13 V14 T19 Y23 F129 L133 M145 V147 | K13-F21 CarbonylContact C-O 3.48Å; K13-F21 VanDerWaalsContact CA-O 3.27Å; K13-F21 WeakPolarHBondContact CA-O 3.47Å; V14-F21 PolarHBondContact N-O 2.63Å; V14-F21 PolarHBondContact O-N 3.05Å; T19-F21 HydrophobicContact CG2-CD2 4.47Å; T19-F21 HydrophobicContact CG2-CE2 3.92Å; T19-F21 HydrophobicContact CG2-CZ 4.01Å; F21-Y23 HydrophobicContact CB-CD2 4.15Å; F21-Y23 HydrophobicContact CB-CE2 3.6Å; F21-Y23 HydrophobicContact CG-CE2 4.46Å; F21-F129 HydrophobicContact CE1-CZ 4.44Å; F21-L133 HydrophobicContact CE1-CD1 4.38Å; F21-L133 HydrophobicContact CE1-CD2 3.68Å; F21-L133 HydrophobicContact CZ-CD1 3.9Å; F21-L133 HydrophobicContact CZ-CD2 3.68Å; F21-L133 HydrophobicContact CZ-CG 4.46Å; F21-M145 WeakPolarHBondContact CA-O 3.36Å; F21-M145 HydrophobicContact CD1-CB 3.37Å; F21-M145 HydrophobicContact CD1-CG 3.93Å; F21-M145 HydrophobicContact CE1-CB 3.58Å; F21-M145 HydrophobicContact CE1-CG 3.59Å; F21-M145 HydrophobicContact CE1-SD 4.31Å; F21-M145 HydrophobicContact CG-CB 4.05Å; F21-M145 HydrophobicContact CZ-CB 4.41Å; F21-M145 HydrophobicContact CZ-CG 4.07Å; F21-V147 HydrophobicContact CD1-CG2 4.1Å |
| 22 | T | 88.1 | Confident | 78.5 | Confident | 15 Ų | 15 | 57.4 Ų | 57.4 | 9% | 0.092 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 113.8 | 166 | -49.8 | 0 | 0 | 0 | 0 | 107.8 | K13 M145 L146 V147 | K13-T22 WeakPolarHBondContact CE-OG1 3.5Å; K13-T22 HydrophobicContact CG-CG2 4.16Å; K13-T22 PolarHBondContact NZ-OG1 3.09Å; T22-M145 PolarHBondContact N-O 2.88Å; T22-L146 HydrophobicContact CG2-CD1 4.17Å; T22-L146 CarbonylContact O-C 3.58Å; T22-L146 WeakPolarHBondContact O-CA 3.44Å; T22-V147 PolarHBondContact O-N 3.44Å |
| 23 | Y | 84.4 | Confident | 79 | Confident | 47 Ų | 47 | 53.2 Ų | 53.2 | 18% | 0.184 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 133.9 | 170.4 | -71.2 | -97.4 | 0 | 0 | 0 | 108.6 | S11 F12 V14 F21 V147 T149 | S11-Y23 CarbonylContact C-O 3.52Å; S11-Y23 WeakPolarHBondContact CA-O 3.44Å; S11-Y23 VanDerWaalsContact CB-O 3.22Å; S11-Y23 WeakPolarHBondContact CB-O 3.48Å; F12-Y23 HydrophobicContact CD2-CD2 4.34Å; F12-Y23 HydrophobicContact CE1-CG 4.27Å; F12-Y23 AromaticContact CE2-CD2 3.74Å; F12-Y23 HydrophobicContact CE2-CD2 3.74Å; F12-Y23 AromaticContact CE2-CG 3.86Å; F12-Y23 HydrophobicContact CE2-CG 3.86Å; F12-Y23 VanDerWaalsContact CZ-CB 3.45Å; F12-Y23 HydrophobicContact CZ-CD1 4.28Å; F12-Y23 HydrophobicContact CZ-CD2 4.07Å; F12-Y23 AromaticContact CZ-CG 3.68Å; F12-Y23 HydrophobicContact CZ-CG 3.68Å; F12-Y23 PolarHBondContact N-O 3Å; F12-Y23 PolarHBondContact O-N 3.48Å; V14-Y23 HydrophobicContact CB-CD2 4.5Å; V14-Y23 HydrophobicContact CB-CE2 4.15Å; V14-Y23 HydrophobicContact CG2-CD2 4.03Å; V14-Y23 HydrophobicContact CG2-CE2 3.99Å; F21-Y23 HydrophobicContact CB-CD2 4.15Å; F21-Y23 HydrophobicContact CB-CE2 3.6Å; F21-Y23 HydrophobicContact CG-CE2 4.46Å; Y23-V147 CarbonylContact C-O 3.54Å; Y23-V147 WeakPolarHBondContact CA-O 3.35Å; Y23-V147 HydrophobicContact CD1-CB 3.74Å; Y23-V147 HydrophobicContact CD1-CG1 3.67Å; Y23-V147 HydrophobicContact CD1-CG2 4.43Å; Y23-V147 HydrophobicContact CE1-CB 3.87Å; Y23-V147 HydrophobicContact CE1-CG1 3.63Å; Y23-V147 HydrophobicContact CE1-CG2 4.13Å; Y23-V147 HydrophobicContact CG-CB 4.27Å; Y23-T149 HydrophobicContact CD1-CG2 4.41Å |
| 24 | A | 86.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 132.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | V9 P26 F35 L146 V147 I148 T149 | V9-A24 HydrophobicContact CG1-CB 3.86Å; A24-P26 WeakPolarHBondContact O-CD 3.37Å; A24-F35 HydrophobicContact CB-CE1 3.72Å; A24-F35 HydrophobicContact CB-CZ 3.94Å; A24-L146 HydrophobicContact CB-CD1 4.21Å; A24-V147 PolarHBondContact N-O 2.84Å; A24-I148 WeakPolarHBondContact O-CA 3.25Å; A24-T149 PolarHBondContact O-N 3.03Å; A24-T149 VanDerWaalsContact O-N 3.09Å; A24-T149 PolarHBondContact O-OG1 3.39Å |
| 25 | S | 84.5 | Confident | 79.3 | Confident | 47 Ų | 47 | 47.7 Ų | 47.7 | 33% | 0.329 | 32% | 0.322 | S | S | . | . | trans | -117.8 | 83.9 | -177.1 | -57.2 | 0 | 0 | 0 | 0 | 112 | V9 P10 T149 | V9-S25 VanDerWaalsContact CG1-C 3.47Å; P10-S25 PolarHBondContact O-N 3.05Å; S25-T149 VanDerWaalsContact CA-OG1 3.26Å; S25-T149 WeakPolarHBondContact CA-OG1 3.4Å; S25-T149 WeakPolarHBondContact CB-OG1 3.38Å; S25-T149 PolarHBondContact OG-OG1 3.11Å | ||
| 26 | P | 84.1 | Confident | 80 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | trans | -68.8 | 149.8 | 177.5 | -15.4 | 31.2 | 0 | 0 | 0 | 111.7 | V9 A24 S28 A31 S32 I148 | V9-P26 HydrophobicContact CG1-CB 4.33Å; V9-P26 HydrophobicContact CG1-CG 3.92Å; V9-P26 HydrophobicContact CG2-CB 4.32Å; V9-P26 HydrophobicContact CG2-CG 4.36Å; A24-P26 WeakPolarHBondContact O-CD 3.37Å; P26-S28 VanDerWaalsContact C-N 3.27Å; P26-S28 PolarHBondContact O-N 3.39Å; P26-A31 HydrophobicContact CB-CB 4.06Å; P26-S32 WeakPolarHBondContact CB-OG 3.2Å; P26-S32 WeakPolarHBondContact CG-OG 3.33Å; P26-I148 HydrophobicContact CG-CG2 4.11Å | ||
| 27 | K | 77 | Confident | 81 | Confident | 176 Ų | 176 | 39.4 Ų | 39.4 | 77% | 0.765 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -75 | -5.1 | -171.1 | -61.1 | -173.2 | 179.1 | -175.9 | 0 | 115.9 | ||
| 28 | S | 79.7 | Confident | 82.1 | Confident | 31 Ų | 31 | 37.8 Ų | 37.8 | 22% | 0.217 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -169.7 | 163.9 | 176.5 | 68.3 | 0 | 0 | 0 | 0 | 109.8 | P26 A30 A31 S32 E153 | P26-S28 VanDerWaalsContact C-N 3.27Å; P26-S28 PolarHBondContact O-N 3.39Å; S28-A30 PolarHBondContact O-N 3.31Å; S28-A31 WeakPolarHBondContact O-CB 3.16Å; S28-A31 PolarHBondContact O-N 3.49Å; S28-A31 PolarHBondContact OG-N 2.99Å; S28-S32 PolarHBondContact O-N 3.08Å; S28-S32 PolarHBondContact O-OG 3.41Å; S28-E153 VanDerWaalsContact CB-OE1 3.29Å; S28-E153 WeakPolarHBondContact CB-OE1 3.14Å |
| 29 | G | 77.9 | Confident | 83 | Confident | 47 Ų | 47 | 35.1 Ų | 35.1 | 49% | 0.485 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.4 | -31.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S32 L33 | G29-S32 PolarHBondContact O-N 3.49Å; G29-L33 WeakPolarHBondContact O-CG 3.29Å; G29-L33 PolarHBondContact O-N 2.78Å |
| 30 | A | 78.8 | Confident | 83.6 | Confident | 52 Ų | 52 | 33.8 Ų | 33.8 | 43% | 0.43 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -68.1 | -45.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S28 S32 L33 D34 | S28-A30 PolarHBondContact O-N 3.31Å; A30-S32 VanDerWaalsContact C-N 3.27Å; A30-S32 PolarHBondContact O-N 3.15Å; A30-L33 PolarHBondContact O-N 3.24Å; A30-L33 VanDerWaalsContact O-N 3.14Å; A30-D34 PolarHBondContact O-N 3.47Å |
| 31 | A | 80.6 | Confident | 83.8 | Confident | 22 Ų | 22 | 37.3 Ų | 37.3 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.7 | -32.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P26 S28 D34 F35 | P26-A31 HydrophobicContact CB-CB 4.06Å; S28-A31 WeakPolarHBondContact O-CB 3.16Å; S28-A31 PolarHBondContact O-N 3.49Å; S28-A31 PolarHBondContact OG-N 2.99Å; A31-D34 PolarHBondContact O-N 3.42Å; A31-F35 VanDerWaalsContact O-CB 3.23Å; A31-F35 WeakPolarHBondContact O-CB 3.34Å; A31-F35 PolarHBondContact O-N 3.04Å |
| 32 | S | 83.8 | Confident | 83.4 | Confident | 14 Ų | 14 | 44.2 Ų | 44.2 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.7 | -43.3 | 172.7 | -57.5 | 0 | 0 | 0 | 0 | 112.6 | P26 S28 G29 A30 L36 | P26-S32 WeakPolarHBondContact CB-OG 3.2Å; P26-S32 WeakPolarHBondContact CG-OG 3.33Å; S28-S32 PolarHBondContact O-N 3.08Å; S28-S32 PolarHBondContact O-OG 3.41Å; G29-S32 PolarHBondContact O-N 3.49Å; A30-S32 VanDerWaalsContact C-N 3.27Å; A30-S32 PolarHBondContact O-N 3.15Å; S32-L36 WeakPolarHBondContact O-CB 3.47Å; S32-L36 WeakPolarHBondContact O-CD1 3.2Å; S32-L36 VanDerWaalsContact O-CG 3.3Å; S32-L36 WeakPolarHBondContact O-CG 3.07Å; S32-L36 PolarHBondContact O-N 3.26Å |
| 33 | L | 88.4 | Confident | 82.4 | Confident | 21 Ų | 21 | 46.7 Ų | 46.7 | 11% | 0.11 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -73.5 | -33.8 | 179.8 | -67.1 | 163.4 | 0 | 0 | 0 | 112.2 | G29 A30 L36 A37 L63 E66 R70 | G29-L33 WeakPolarHBondContact O-CG 3.29Å; G29-L33 PolarHBondContact O-N 2.78Å; A30-L33 PolarHBondContact O-N 3.24Å; A30-L33 VanDerWaalsContact O-N 3.14Å; L33-L36 HydrophobicContact CD2-CD1 4.24Å; L33-A37 WeakPolarHBondContact O-CB 3.35Å; L33-A37 PolarHBondContact O-N 3.02Å; L33-L63 HydrophobicContact CD2-CD1 3.72Å; L33-E66 HydrophobicContact CD1-CB 3.98Å; L33-E66 HydrophobicContact CD1-CG 3.98Å; L33-E66 WeakPolarHBondContact CD1-OE2 3.42Å; L33-E66 HydrophobicContact CD2-CB 3.87Å; L33-E66 HydrophobicContact CD2-CG 4.47Å; L33-E66 HydrophobicContact CG-CB 4.48Å; L33-R70 VanDerWaalsContact CB-CZ 3.43Å; L33-R70 WeakPolarHBondContact O-CD 3.37Å |
| 34 | D | 84.7 | Confident | 80.9 | Confident | 42 Ų | 42 | 50.8 Ų | 50.8 | 23% | 0.225 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.3 | -38.4 | 173.6 | -65.4 | -20.7 | 0 | 0 | 0 | 111.7 | L7 A30 A31 A37 H38 R70 | L7-D34 HydrophobicContact CD1-CB 4.19Å; A30-D34 PolarHBondContact O-N 3.47Å; A31-D34 PolarHBondContact O-N 3.42Å; D34-A37 PolarHBondContact O-N 2.97Å; D34-H38 WeakPolarHBondContact O-CB 3.44Å; D34-H38 PolarHBondContact O-N 2.71Å; D34-R70 IonicContact OD1-CZ 2.68Å; D34-R70 IonicContact OD1-NE 3.16Å; D34-R70 PolarHBondContact OD1-NE 3.11Å; D34-R70 IonicContact OD1-NH2 3.27Å |
| 35 | F | 86.3 | Confident | 79.3 | Confident | 29 Ų | 29 | 53.8 Ų | 53.8 | 13% | 0.127 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66 | -41.5 | 172.5 | 174.2 | -107.1 | 0 | 0 | 0 | 112.5 | L7 V9 A24 A31 H38 T39 L146 I148 | L7-F35 HydrophobicContact CB-CD2 4.49Å; V9-F35 HydrophobicContact CB-CD2 4.06Å; V9-F35 HydrophobicContact CB-CE2 4.11Å; V9-F35 HydrophobicContact CB-CG 4.49Å; V9-F35 HydrophobicContact CG2-CB 3.98Å; V9-F35 HydrophobicContact CG2-CD1 4.49Å; V9-F35 HydrophobicContact CG2-CD2 3.49Å; V9-F35 VanDerWaalsContact CG2-CD2 3.49Å; V9-F35 HydrophobicContact CG2-CE2 4.07Å; V9-F35 HydrophobicContact CG2-CG 3.74Å; A24-F35 HydrophobicContact CB-CE1 3.72Å; A24-F35 HydrophobicContact CB-CZ 3.94Å; A31-F35 VanDerWaalsContact O-CB 3.23Å; A31-F35 WeakPolarHBondContact O-CB 3.34Å; A31-F35 PolarHBondContact O-N 3.04Å; F35-H38 PolarHBondContact O-N 3.49Å; F35-T39 WeakPolarHBondContact O-CB 3.28Å; F35-T39 PolarHBondContact O-N 2.89Å; F35-T39 PolarHBondContact O-OG1 3.38Å; F35-L146 HydrophobicContact CE1-CD1 4.4Å; F35-L146 HydrophobicContact CE1-CD2 4.21Å; F35-I148 HydrophobicContact CD1-CD1 4.12Å; F35-I148 HydrophobicContact CD1-CG1 4.49Å; F35-I148 HydrophobicContact CE1-CD1 4.42Å; F35-I148 HydrophobicContact CE1-CG1 4.45Å |
| 36 | L | 88.6 | Confident | 77.8 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.7 | -51.2 | 171.2 | -81.7 | 163.1 | 0 | 0 | 0 | 111.1 | S32 L33 H38 T39 L40 L52 L63 L67 I119 T121 I148 | S32-L36 WeakPolarHBondContact O-CB 3.47Å; S32-L36 WeakPolarHBondContact O-CD1 3.2Å; S32-L36 VanDerWaalsContact O-CG 3.3Å; S32-L36 WeakPolarHBondContact O-CG 3.07Å; S32-L36 PolarHBondContact O-N 3.26Å; L33-L36 HydrophobicContact CD2-CD1 4.24Å; L36-H38 VanDerWaalsContact C-N 3.33Å; L36-H38 PolarHBondContact O-N 3.33Å; L36-T39 PolarHBondContact O-N 3.3Å; L36-L40 WeakPolarHBondContact O-CB 3.48Å; L36-L40 VanDerWaalsContact O-CG 3.26Å; L36-L40 WeakPolarHBondContact O-CG 3.35Å; L36-L40 PolarHBondContact O-N 3.46Å; L36-L52 HydrophobicContact CD2-CD2 3.79Å; L36-L63 HydrophobicContact CD1-CD1 4.01Å; L36-L67 HydrophobicContact CB-CD2 4.01Å; L36-I119 HydrophobicContact CD2-CD1 4.24Å; L36-I119 HydrophobicContact CD2-CG2 3.72Å; L36-T121 HydrophobicContact CD1-CG2 4.06Å; L36-T121 HydrophobicContact CD2-CG2 3.96Å; L36-I148 HydrophobicContact CD1-CD1 3.79Å; L36-I148 HydrophobicContact CD2-CD1 3.49Å; L36-I148 VanDerWaalsContact CD2-CD1 3.49Å; L36-I148 HydrophobicContact CG-CD1 3.39Å |
| 37 | A | 87.4 | Confident | 76.5 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.9 | -38.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L33 D34 R41 L67 R70 V72 | L33-A37 WeakPolarHBondContact O-CB 3.35Å; L33-A37 PolarHBondContact O-N 3.02Å; D34-A37 PolarHBondContact O-N 2.97Å; A37-R41 WeakPolarHBondContact O-CB 3.33Å; A37-R41 VanDerWaalsContact O-CG 3.26Å; A37-R41 WeakPolarHBondContact O-CG 3.34Å; A37-R41 PolarHBondContact O-N 2.88Å; A37-L67 HydrophobicContact CB-CD2 4.2Å; A37-R70 HydrophobicContact CB-CB 3.71Å; A37-R70 HydrophobicContact CB-CG 4.37Å; A37-V72 HydrophobicContact CB-CG2 3.9Å |
| 38 | H | 84.4 | Confident | 76.1 | Confident | 51 Ų | 51 | 56.8 Ų | 56.8 | 24% | 0.236 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.1 | -48.1 | 173.4 | -177.9 | 90.1 | 0 | 0 | 0 | 111.8 | L7 D34 F35 L36 L40 R41 K42 | L7-H38 HydrophobicContact CD1-CB 4.26Å; D34-H38 WeakPolarHBondContact O-CB 3.44Å; D34-H38 PolarHBondContact O-N 2.71Å; F35-H38 PolarHBondContact O-N 3.49Å; L36-H38 VanDerWaalsContact C-N 3.33Å; L36-H38 PolarHBondContact O-N 3.33Å; H38-L40 VanDerWaalsContact C-N 3.33Å; H38-L40 PolarHBondContact O-N 2.83Å; H38-R41 PolarHBondContact O-N 2.87Å; H38-K42 VanDerWaalsContact O-CB 3.26Å; H38-K42 WeakPolarHBondContact O-CB 3.24Å; H38-K42 PolarHBondContact O-N 3.45Å |
| 39 | T | 84.3 | Confident | 76.3 | Confident | 18 Ų | 18 | 57.6 Ų | 57.6 | 11% | 0.11 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.2 | -43.1 | 178.8 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | F35 L36 R43 L117 I119 L146 | F35-T39 WeakPolarHBondContact O-CB 3.28Å; F35-T39 PolarHBondContact O-N 2.89Å; F35-T39 PolarHBondContact O-OG1 3.38Å; L36-T39 PolarHBondContact O-N 3.3Å; T39-R43 PolarHBondContact O-N 3Å; T39-L117 HydrophobicContact CG2-CD2 4.33Å; T39-I119 HydrophobicContact CG2-CD1 4.5Å; T39-L146 HydrophobicContact CG2-CD2 4.14Å |
| 40 | L | 85.4 | Confident | 76.9 | Confident | 22 Ų | 22 | 55.8 Ų | 55.8 | 12% | 0.115 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -74.3 | -28.4 | 179.3 | -66.4 | 168.8 | 0 | 0 | 0 | 113.6 | L36 H38 T50 L52 L67 V72 A99 I119 | L36-L40 WeakPolarHBondContact O-CB 3.48Å; L36-L40 VanDerWaalsContact O-CG 3.26Å; L36-L40 WeakPolarHBondContact O-CG 3.35Å; L36-L40 PolarHBondContact O-N 3.46Å; H38-L40 VanDerWaalsContact C-N 3.33Å; H38-L40 PolarHBondContact O-N 2.83Å; L40-T50 HydrophobicContact CD2-CG2 3.7Å; L40-L52 HydrophobicContact CD1-CD1 3.94Å; L40-L52 HydrophobicContact CD1-CD2 4.28Å; L40-L52 HydrophobicContact CD2-CD1 4.37Å; L40-L67 HydrophobicContact CD1-CD1 3.86Å; L40-L67 HydrophobicContact CD1-CD2 4.16Å; L40-V72 HydrophobicContact CB-CG1 3.85Å; L40-V72 HydrophobicContact CD1-CG1 3.98Å; L40-A99 HydrophobicContact CD2-CB 3.91Å; L40-I119 HydrophobicContact CD2-CD1 4.13Å |
| 41 | R | 81 | Confident | 77.4 | Confident | 131 Ų | 131 | 53.3 Ų | 53.3 | 49% | 0.494 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -82.5 | -23.9 | 174 | -71 | -168 | -129.8 | 108.5 | -10.7 | 113.7 | A37 H38 R70 V72 | A37-R41 WeakPolarHBondContact O-CB 3.33Å; A37-R41 VanDerWaalsContact O-CG 3.26Å; A37-R41 WeakPolarHBondContact O-CG 3.34Å; A37-R41 PolarHBondContact O-N 2.88Å; H38-R41 PolarHBondContact O-N 2.87Å; R41-R70 PolarHBondContact NE-O 3.1Å; R41-R70 VanDerWaalsContact NE-O 3.11Å; R41-R70 PolarHBondContact NH2-O 3.49Å; R41-V72 HydrophobicContact CG-CG2 3.73Å |
| 42 | K | 74.9 | Confident | 78 | Confident | 155 Ų | 155 | 52.3 Ų | 52.3 | 67% | 0.674 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -80.9 | -26.4 | -178.6 | -176 | 173.3 | 179.4 | 178.3 | 0 | 112.9 | H38 | H38-K42 VanDerWaalsContact O-CB 3.26Å; H38-K42 WeakPolarHBondContact O-CB 3.24Å; H38-K42 PolarHBondContact O-N 3.45Å |
| 43 | R | 66.9 | Low | 78.4 | Confident | 68 Ų | 68 | 51.6 Ų | 51.6 | 26% | 0.257 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -85.8 | 140.3 | 173.6 | -70.4 | 168.1 | 177.9 | -103.7 | 10.4 | 109.5 | T39 A45 E48 E144 | T39-R43 PolarHBondContact O-N 3Å; R43-A45 PolarHBondContact O-N 3.28Å; R43-E48 WeakPolarHBondContact CB-OE2 3.47Å; R43-E48 WeakPolarHBondContact CD-OE2 3.3Å; R43-E48 WeakPolarHBondContact CG-OE2 3.43Å; R43-E48 IonicContact CZ-OE2 2.7Å; R43-E48 IonicContact NE-OE2 3.82Å; R43-E48 IonicContact NH1-OE1 3.56Å; R43-E48 IonicContact NH1-OE2 3.66Å; R43-E48 PolarHBondContact NH1-OE2 2.89Å; R43-E144 IonicContact CZ-OE2 3.82Å; R43-E144 IonicContact NH2-OE2 2.73Å; R43-E144 PolarHBondContact NH2-OE2 3.28Å |
| 44 | E | 53.2 | Low | 78.5 | Confident | 132 Ų | 132 | 50.7 Ų | 50.7 | 62% | 0.617 | 25% | 0.25 | S | C | * | . | trans | -70.5 | 113.1 | -179.2 | -79 | -176.5 | 171.7 | 0 | 0 | 110.6 | N46 T47 E48 | E44-N46 PolarHBondContact O-N 2.9Å; E44-T47 WeakPolarHBondContact CB-OG1 3.48Å; E44-T47 PolarHBondContact O-N 3.29Å; E44-T47 PolarHBondContact O-OG1 2.83Å; E44-T47 PolarHBondContact OE2-OG1 3.11Å; E44-T47 VanDerWaalsContact OE2-OG1 3.14Å; E44-E48 PolarHBondContact O-N 2.81Å | ||
| 45 | A | 53.5 | Low | 78.7 | Confident | 63 Ų | 63 | 51.4 Ų | 51.4 | 52% | 0.521 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -26.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R43 N97 | R43-A45 PolarHBondContact O-N 3.28Å; A45-N97 VanDerWaalsContact O-CB 3.31Å; A45-N97 WeakPolarHBondContact O-CB 3.37Å |
| 46 | N | 51.9 | Low | 78.7 | Confident | 130 Ų | 130 | 54.7 Ų | 54.7 | 70% | 0.695 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -5.8 | -178 | -69.9 | -21.9 | 0 | 0 | 0 | 114.8 | E44 N97 | E44-N46 PolarHBondContact O-N 2.9Å; N46-N97 PolarHBondContact OD1-ND2 2.97Å |
| 47 | T | 56.9 | Low | 78.5 | Confident | 90 Ų | 90 | 56.7 Ų | 56.7 | 55% | 0.552 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.5 | -25.1 | -174.1 | 50 | 0 | 0 | 0 | 0 | 114.3 | E44 | E44-T47 WeakPolarHBondContact CB-OG1 3.48Å; E44-T47 PolarHBondContact O-N 3.29Å; E44-T47 PolarHBondContact O-OG1 2.83Å; E44-T47 PolarHBondContact OE2-OG1 3.11Å; E44-T47 VanDerWaalsContact OE2-OG1 3.14Å |
| 48 | E | 69.8 | Low | 78.2 | Confident | 70 Ų | 70 | 62.7 Ų | 62.7 | 33% | 0.327 | 31% | 0.305 | S | S | . | . | trans | -114.8 | 113.2 | -179.7 | -67.4 | -169.2 | 177.9 | 0 | 0 | 114.4 | R43 E44 T50 N116 | R43-E48 WeakPolarHBondContact CB-OE2 3.47Å; R43-E48 WeakPolarHBondContact CD-OE2 3.3Å; R43-E48 WeakPolarHBondContact CG-OE2 3.43Å; R43-E48 IonicContact CZ-OE2 2.7Å; R43-E48 IonicContact NE-OE2 3.82Å; R43-E48 IonicContact NH1-OE1 3.56Å; R43-E48 IonicContact NH1-OE2 3.66Å; R43-E48 PolarHBondContact NH1-OE2 2.89Å; E44-E48 PolarHBondContact O-N 2.81Å; E48-T50 PolarHBondContact O-N 3.26Å; E48-N116 HydrophobicContact CB-CB 4.26Å; E48-N116 HydrophobicContact CG-CB 4.42Å | ||
| 49 | K | 84.2 | Confident | 78.4 | Confident | 49 Ų | 49 | 61.6 Ų | 61.6 | 21% | 0.213 | 30% | 0.3 | C | S | . | . | trans | -76.3 | 110 | 174.8 | -71 | 171.4 | -170.6 | 164.6 | 0 | 110.5 | W91 S92 E114 A115 N116 L117 | K49-W91 HydrophobicContact CB-CH2 3.73Å; K49-W91 HydrophobicContact CB-CZ2 3.84Å; K49-W91 HydrophobicContact CB-CZ3 4.42Å; K49-W91 HydrophobicContact CG-CH2 4.44Å; K49-W91 HydrophobicContact CG-CZ2 4.41Å; K49-S92 PolarHBondContact NZ-O 3.28Å; K49-E114 WeakPolarHBondContact CD-O 3.47Å; K49-A115 CarbonylContact O-C 3.55Å; K49-A115 WeakPolarHBondContact O-CA 3.16Å; K49-N116 PolarHBondContact N-OD1 3.31Å; K49-N116 PolarHBondContact O-N 3.48Å; K49-L117 PolarHBondContact O-N 3.13Å | ||
| 50 | T | 88.8 | Confident | 78.6 | Confident | 9 Ų | 9 | 60.8 Ų | 60.8 | 6% | 0.055 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 132.9 | -178.9 | -59.8 | 0 | 0 | 0 | 0 | 112.6 | L40 E48 W91 A99 L100 L117 I119 | L40-T50 HydrophobicContact CD2-CG2 3.7Å; E48-T50 PolarHBondContact O-N 3.26Å; T50-W91 WeakPolarHBondContact O-CZ2 3.12Å; T50-A99 HydrophobicContact CG2-CB 4.36Å; T50-A99 WeakPolarHBondContact O-CA 3.38Å; T50-L100 PolarHBondContact O-N 3.16Å; T50-L117 WeakPolarHBondContact CA-O 3.27Å; T50-L117 HydrophobicContact CG2-CB 4.18Å; T50-L117 HydrophobicContact CG2-CD2 3.85Å; T50-L117 HydrophobicContact CG2-CG 4.12Å; T50-I119 HydrophobicContact CG2-CD1 3.87Å; T50-I119 HydrophobicContact CG2-CG1 4.11Å |
| 51 | I | 91.1 | Very high | 78.6 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 139.2 | 172 | -57.3 | -179.7 | 0 | 0 | 0 | 109.8 | I53 W91 L100 L102 L110 V113 A115 L117 V118 I119 | I51-I53 HydrophobicContact CG2-CD1 4.41Å; I51-I53 HydrophobicContact CG2-CG1 3.86Å; I51-W91 HydrophobicContact CD1-CH2 4.01Å; I51-W91 HydrophobicContact CD1-CZ3 4.3Å; I51-W91 HydrophobicContact CG1-CH2 3.53Å; I51-W91 HydrophobicContact CG1-CZ2 4.13Å; I51-W91 HydrophobicContact CG1-CZ3 4.27Å; I51-L100 CarbonylContact C-O 3.53Å; I51-L100 WeakPolarHBondContact CA-O 3.37Å; I51-L102 HydrophobicContact CG2-CD2 3.71Å; I51-L102 HydrophobicContact CG2-CG 4.19Å; I51-L110 HydrophobicContact CD1-CD2 4.22Å; I51-V113 HydrophobicContact CD1-CG2 4.38Å; I51-A115 HydrophobicContact CD1-CB 3.77Å; I51-A115 HydrophobicContact CG1-CB 3.99Å; I51-L117 PolarHBondContact N-O 2.98Å; I51-V118 HydrophobicContact CB-CG2 4.38Å; I51-I119 PolarHBondContact O-N 3.24Å |
| 52 | L | 92.7 | Very high | 78.9 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 120.2 | 175.8 | -73 | 145.2 | 0 | 0 | 0 | 108.4 | L36 L40 L63 L67 T74 A99 L100 I101 L102 I119 T121 | L36-L52 HydrophobicContact CD2-CD2 3.79Å; L40-L52 HydrophobicContact CD1-CD1 3.94Å; L40-L52 HydrophobicContact CD1-CD2 4.28Å; L40-L52 HydrophobicContact CD2-CD1 4.37Å; L52-L63 HydrophobicContact CB-CD2 4.28Å; L52-L63 HydrophobicContact CD2-CD2 4.37Å; L52-L67 HydrophobicContact CD1-CD1 4.13Å; L52-T74 HydrophobicContact CD1-CG2 4.29Å; L52-A99 HydrophobicContact CD1-CB 3.74Å; L52-L100 PolarHBondContact N-O 2.83Å; L52-I101 HydrophobicContact CB-CB 4.36Å; L52-I101 HydrophobicContact CB-CG1 3.81Å; L52-I101 HydrophobicContact CD1-CD1 4.4Å; L52-I101 HydrophobicContact CD1-CG1 3.65Å; L52-I101 HydrophobicContact CG-CG1 4.37Å; L52-I101 WeakPolarHBondContact O-CA 3.27Å; L52-L102 PolarHBondContact O-N 2.83Å; L52-I119 WeakPolarHBondContact CA-O 3.46Å; L52-I119 HydrophobicContact CD2-CB 4.02Å; L52-I119 HydrophobicContact CD2-CD1 3.99Å; L52-I119 HydrophobicContact CD2-CG1 4.47Å; L52-I119 HydrophobicContact CD2-CG2 4.38Å; L52-T121 HydrophobicContact CD2-CG2 3.73Å |
| 53 | I | 91.9 | Very high | 79.6 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 120.5 | -174.4 | -49.9 | 177 | 0 | 0 | 0 | 110.1 | I51 L102 L107 V118 I119 T121 L136 | I51-I53 HydrophobicContact CG2-CD1 4.41Å; I51-I53 HydrophobicContact CG2-CG1 3.86Å; I53-L102 WeakPolarHBondContact CA-O 3.36Å; I53-L102 HydrophobicContact CG1-CD1 4.13Å; I53-L102 HydrophobicContact CG2-CD1 4.08Å; I53-L107 HydrophobicContact CD1-CD2 4.16Å; I53-L107 HydrophobicContact CG2-CD2 4.5Å; I53-V118 HydrophobicContact CD1-CG1 3.44Å; I53-V118 VanDerWaalsContact CD1-CG1 3.44Å; I53-V118 HydrophobicContact CG1-CG1 4.1Å; I53-I119 PolarHBondContact N-O 3.24Å; I53-T121 PolarHBondContact O-N 3.29Å; I53-T121 PolarHBondContact O-OG1 3.11Å; I53-L136 HydrophobicContact CD1-CD1 3.76Å; I53-L136 HydrophobicContact CD1-CD2 3.89Å; I53-L136 HydrophobicContact CD1-CG 4.31Å |
| 54 | C | 91.1 | Very high | 80.8 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 167.2 | 167.2 | -53.3 | 0 | 0 | 0 | 0 | 110.2 | E59 A60 L63 L102 C103 D104 T121 T122 | C54-E59 HydrophobicContact CB-CB 3.77Å; C54-A60 HydrophobicContact CB-CB 4.13Å; C54-L63 VanDerWaalsContact SG-CD2 3.56Å; C54-L102 PolarHBondContact N-O 3.03Å; C54-C103 CarbonylContact O-C 3.5Å; C54-C103 VanDerWaalsContact O-CA 3.29Å; C54-C103 WeakPolarHBondContact O-CA 3.41Å; C54-D104 PolarHBondContact O-N 3.22Å; C54-T121 PolarHBondContact SG-OG1 3.4Å; C54-T122 WeakPolarHBondContact CA-OG1 3.13Å |
| 55 | Q | 88.4 | Confident | 82.3 | Confident | 58 Ų | 58 | 59.4 Ų | 59.4 | 27% | 0.271 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -80.3 | -46.7 | 173.2 | -170.1 | 176.4 | 18.4 | 0 | 0 | 110.3 | E59 D104 T122 P124 | Q55-E59 WeakPolarHBondContact CB-OE2 3.42Å; Q55-E59 PolarHBondContact N-OE2 3.13Å; Q55-D104 WeakPolarHBondContact CA-OD2 3.33Å; Q55-D104 PolarHBondContact O-N 2.93Å; Q55-T122 PolarHBondContact N-OG1 3.02Å; Q55-P124 HydrophobicContact CG-CB 4.27Å |
| 56 | Q | 85.9 | Confident | 84 | Confident | 98 Ų | 98 | 57.8 Ų | 57.8 | 46% | 0.458 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -119.5 | 157.5 | -173.6 | -56.6 | -171.5 | 59.1 | 0 | 0 | 113.6 | F58 E59 A60 | Q56-F58 VanDerWaalsContact C-N 3.34Å; Q56-F58 HydrophobicContact CB-CD1 3.86Å; Q56-F58 HydrophobicContact CB-CE1 3.79Å; Q56-F58 HydrophobicContact CG-CE1 4.26Å; Q56-F58 PolarHBondContact O-N 2.99Å; Q56-E59 HydrophobicContact CB-CG 4.28Å; Q56-E59 WeakPolarHBondContact CB-OE1 3.48Å; Q56-E59 WeakPolarHBondContact CG-OE1 3.48Å; Q56-E59 PolarHBondContact N-OE1 2.8Å; Q56-E59 PolarHBondContact N-OE2 3.11Å; Q56-E59 WeakPolarHBondContact O-CB 3.15Å; Q56-E59 PolarHBondContact O-N 2.74Å; Q56-A60 PolarHBondContact O-N 3.33Å; Q56-A60 VanDerWaalsContact O-N 3.16Å |
| 57 | N | 84.4 | Confident | 85.7 | Confident | 45 Ų | 45 | 51.6 Ų | 51.6 | 24% | 0.241 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.5 | -34.7 | -178.9 | -179 | 71.1 | 0 | 0 | 0 | 113.1 | E59 A60 E61 P79 | N57-E59 VanDerWaalsContact C-N 3.31Å; N57-E59 PolarHBondContact O-N 3Å; N57-A60 WeakPolarHBondContact O-CB 3.45Å; N57-A60 PolarHBondContact O-N 3.44Å; N57-E61 PolarHBondContact ND2-OE1 2.91Å; N57-E61 WeakPolarHBondContact O-CG 3.36Å; N57-E61 PolarHBondContact O-N 3.13Å; N57-P79 HydrophobicContact CB-CG 4.16Å; N57-P79 WeakPolarHBondContact OD1-CD 3.5Å; N57-P79 WeakPolarHBondContact OD1-CG 3.47Å |
| 58 | F | 82.5 | Confident | 86.9 | Confident | 127 Ų | 127 | 49.8 Ų | 49.8 | 56% | 0.557 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -68.3 | -32.7 | 178.3 | 79.6 | -98.2 | 0 | 0 | 0 | 112 | Q56 R62 | Q56-F58 VanDerWaalsContact C-N 3.34Å; Q56-F58 HydrophobicContact CB-CD1 3.86Å; Q56-F58 HydrophobicContact CB-CE1 3.79Å; Q56-F58 HydrophobicContact CG-CE1 4.26Å; Q56-F58 PolarHBondContact O-N 2.99Å; F58-R62 VanDerWaalsContact O-CB 3.29Å; F58-R62 WeakPolarHBondContact O-CB 3.27Å; F58-R62 PolarHBondContact O-N 2.8Å |
| 59 | E | 87.4 | Confident | 87.5 | Confident | 28 Ų | 28 | 52.1 Ų | 52.1 | 13% | 0.131 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.2 | -43.6 | 171.6 | -62.5 | 160.8 | -146.2 | 0 | 0 | 110.1 | C54 Q55 Q56 N57 R62 L63 T122 | C54-E59 HydrophobicContact CB-CB 3.77Å; Q55-E59 WeakPolarHBondContact CB-OE2 3.42Å; Q55-E59 PolarHBondContact N-OE2 3.13Å; Q56-E59 HydrophobicContact CB-CG 4.28Å; Q56-E59 WeakPolarHBondContact CB-OE1 3.48Å; Q56-E59 WeakPolarHBondContact CG-OE1 3.48Å; Q56-E59 PolarHBondContact N-OE1 2.8Å; Q56-E59 PolarHBondContact N-OE2 3.11Å; Q56-E59 WeakPolarHBondContact O-CB 3.15Å; Q56-E59 PolarHBondContact O-N 2.74Å; N57-E59 VanDerWaalsContact C-N 3.31Å; N57-E59 PolarHBondContact O-N 3Å; E59-R62 PolarHBondContact O-N 3.06Å; E59-L63 WeakPolarHBondContact O-CB 3.46Å; E59-L63 PolarHBondContact O-N 2.93Å; E59-T122 WeakPolarHBondContact OE2-CB 3.48Å; E59-T122 WeakPolarHBondContact OE2-CG2 3.46Å; E59-T122 PolarHBondContact OE2-OG1 3.44Å |
| 60 | A | 87.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.4 | -39.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | C54 Q56 N57 K64 L76 I101 | C54-A60 HydrophobicContact CB-CB 4.13Å; Q56-A60 PolarHBondContact O-N 3.33Å; Q56-A60 VanDerWaalsContact O-N 3.16Å; N57-A60 WeakPolarHBondContact O-CB 3.45Å; N57-A60 PolarHBondContact O-N 3.44Å; A60-K64 WeakPolarHBondContact O-CB 3.48Å; A60-K64 PolarHBondContact O-N 3.32Å; A60-K64 VanDerWaalsContact O-N 3.1Å; A60-L76 HydrophobicContact CB-CD1 3.49Å; A60-L76 VanDerWaalsContact CB-CD1 3.49Å; A60-I101 HydrophobicContact CB-CG2 3.82Å |
| 61 | E | 86.3 | Confident | 87.2 | Confident | 109 Ų | 109 | 56.2 Ų | 56.2 | 51% | 0.509 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 171.3 | -75.3 | 178.9 | -168.8 | 0 | 0 | 112 | N57 K64 F65 L76 | N57-E61 PolarHBondContact ND2-OE1 2.91Å; N57-E61 WeakPolarHBondContact O-CG 3.36Å; N57-E61 PolarHBondContact O-N 3.13Å; E61-K64 PolarHBondContact O-N 2.74Å; E61-F65 PolarHBondContact O-N 3.06Å; E61-L76 HydrophobicContact CB-CD2 4.35Å; E61-L76 HydrophobicContact CG-CD2 3.44Å; E61-L76 VanDerWaalsContact CG-CD2 3.44Å |
| 62 | R | 87.8 | Confident | 86.8 | Confident | 159 Ų | 159 | 56.8 Ų | 56.8 | 60% | 0.6 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -63.9 | -47.2 | 175.9 | -179.3 | 178.2 | 174.9 | -171.3 | -2.6 | 111.7 | F58 E59 K64 F65 E66 | F58-R62 VanDerWaalsContact O-CB 3.29Å; F58-R62 WeakPolarHBondContact O-CB 3.27Å; F58-R62 PolarHBondContact O-N 2.8Å; E59-R62 PolarHBondContact O-N 3.06Å; R62-K64 VanDerWaalsContact C-N 3.3Å; R62-K64 PolarHBondContact O-N 3.16Å; R62-F65 WeakPolarHBondContact O-CA 3.47Å; R62-F65 WeakPolarHBondContact O-CB 3.49Å; R62-F65 PolarHBondContact O-N 3.15Å; R62-E66 HydrophobicContact CG-CG 3.9Å; R62-E66 IonicContact CZ-OE1 3.55Å; R62-E66 IonicContact NE-OE1 2.7Å; R62-E66 PolarHBondContact NE-OE1 2.71Å; R62-E66 IonicContact NH2-OE1 3.69Å; R62-E66 PolarHBondContact NH2-OE1 3.46Å; R62-E66 WeakPolarHBondContact O-CB 3.23Å; R62-E66 WeakPolarHBondContact O-CG 3.38Å; R62-E66 PolarHBondContact O-N 3.27Å |
| 63 | L | 88.9 | Confident | 86.2 | Confident | 11 Ų | 11 | 62.4 Ų | 62.4 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.8 | -42.3 | 179.2 | 177.1 | 64.7 | 0 | 0 | 0 | 111.2 | L33 L36 L52 C54 E59 F65 E66 L67 I101 T121 | L33-L63 HydrophobicContact CD2-CD1 3.72Å; L36-L63 HydrophobicContact CD1-CD1 4.01Å; L52-L63 HydrophobicContact CB-CD2 4.28Å; L52-L63 HydrophobicContact CD2-CD2 4.37Å; C54-L63 VanDerWaalsContact SG-CD2 3.56Å; E59-L63 WeakPolarHBondContact O-CB 3.46Å; E59-L63 PolarHBondContact O-N 2.93Å; L63-F65 VanDerWaalsContact C-N 3.31Å; L63-F65 PolarHBondContact O-N 3.45Å; L63-E66 PolarHBondContact O-N 2.84Å; L63-L67 HydrophobicContact CD1-CD1 3.79Å; L63-L67 HydrophobicContact CD1-CG 3.93Å; L63-L67 HydrophobicContact CG-CD1 3.9Å; L63-L67 HydrophobicContact CG-CG 4.38Å; L63-L67 VanDerWaalsContact O-CB 3.32Å; L63-L67 WeakPolarHBondContact O-CB 3.44Å; L63-L67 VanDerWaalsContact O-CG 3.32Å; L63-L67 WeakPolarHBondContact O-CG 3.4Å; L63-L67 PolarHBondContact O-N 2.93Å; L63-I101 HydrophobicContact CD2-CD1 4.32Å; L63-I101 HydrophobicContact CD2-CG1 4.34Å; L63-I101 HydrophobicContact CD2-CG2 4.09Å; L63-I101 HydrophobicContact CG-CD1 4.17Å; L63-T121 HydrophobicContact CD2-CG2 3.81Å |
| 64 | K | 91.4 | Very high | 86.1 | Confident | 80 Ų | 80 | 62.8 Ų | 62.8 | 35% | 0.348 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 174.1 | 175.8 | 163.8 | 175.5 | 171.1 | 0 | 112.2 | A60 E61 R62 A68 T74 L76 I101 | A60-K64 WeakPolarHBondContact O-CB 3.48Å; A60-K64 PolarHBondContact O-N 3.32Å; A60-K64 VanDerWaalsContact O-N 3.1Å; E61-K64 PolarHBondContact O-N 2.74Å; R62-K64 VanDerWaalsContact C-N 3.3Å; R62-K64 PolarHBondContact O-N 3.16Å; K64-A68 VanDerWaalsContact O-CB 3.29Å; K64-A68 WeakPolarHBondContact O-CB 3.25Å; K64-A68 PolarHBondContact O-N 3.11Å; K64-A68 VanDerWaalsContact O-N 3.09Å; K64-T74 VanDerWaalsContact CE-O 3.3Å; K64-T74 WeakPolarHBondContact CE-O 3.31Å; K64-T74 PolarHBondContact NZ-O 3.11Å; K64-L76 HydrophobicContact CD-CB 3.55Å; K64-I101 HydrophobicContact CB-CD1 3.75Å; K64-I101 HydrophobicContact CG-CD1 4.49Å |
| 65 | F | 86 | Confident | 86.1 | Confident | 121 Ų | 121 | 64.4 Ų | 64.4 | 53% | 0.531 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.8 | -51 | 177.1 | -174.9 | -89.7 | 0 | 0 | 0 | 111.6 | E61 R62 L63 L67 A68 E69 | E61-F65 PolarHBondContact O-N 3.06Å; R62-F65 WeakPolarHBondContact O-CA 3.47Å; R62-F65 WeakPolarHBondContact O-CB 3.49Å; R62-F65 PolarHBondContact O-N 3.15Å; L63-F65 VanDerWaalsContact C-N 3.31Å; L63-F65 PolarHBondContact O-N 3.45Å; F65-L67 VanDerWaalsContact C-N 3.3Å; F65-L67 PolarHBondContact O-N 2.78Å; F65-A68 WeakPolarHBondContact O-CB 3.1Å; F65-A68 PolarHBondContact O-N 2.78Å; F65-E69 HydrophobicContact CD1-CG 4.25Å; F65-E69 HydrophobicContact CE1-CG 3.84Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.16Å; F65-E69 HydrophobicContact CZ-CG 4.2Å; F65-E69 PolarHBondContact O-N 3.44Å |
| 66 | E | 89.9 | Confident | 86.1 | Confident | 29 Ų | 29 | 62.9 Ų | 62.9 | 14% | 0.136 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.1 | -34.1 | -179.5 | -66.3 | -95.2 | -161 | 0 | 0 | 112.9 | L33 R62 L63 R70 | L33-E66 HydrophobicContact CD1-CB 3.98Å; L33-E66 HydrophobicContact CD1-CG 3.98Å; L33-E66 WeakPolarHBondContact CD1-OE2 3.42Å; L33-E66 HydrophobicContact CD2-CB 3.87Å; L33-E66 HydrophobicContact CD2-CG 4.47Å; L33-E66 HydrophobicContact CG-CB 4.48Å; R62-E66 HydrophobicContact CG-CG 3.9Å; R62-E66 IonicContact CZ-OE1 3.55Å; R62-E66 IonicContact NE-OE1 2.7Å; R62-E66 PolarHBondContact NE-OE1 2.71Å; R62-E66 IonicContact NH2-OE1 3.69Å; R62-E66 PolarHBondContact NH2-OE1 3.46Å; R62-E66 WeakPolarHBondContact O-CB 3.23Å; R62-E66 WeakPolarHBondContact O-CG 3.38Å; R62-E66 PolarHBondContact O-N 3.27Å; L63-E66 PolarHBondContact O-N 2.84Å; E66-R70 WeakPolarHBondContact O-CD 3.25Å; E66-R70 WeakPolarHBondContact O-CG 3.39Å; E66-R70 PolarHBondContact O-N 3.29Å; E66-R70 PolarHBondContact O-NH1 2.97Å; E66-R70 IonicContact OE2-CZ 3.42Å; E66-R70 IonicContact OE2-NH1 2.73Å; E66-R70 PolarHBondContact OE2-NH1 3.14Å; E66-R70 IonicContact OE2-NH2 2.67Å |
| 67 | L | 86.3 | Confident | 86 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -76.4 | -34.5 | 173.4 | -72.4 | 177.5 | 0 | 0 | 0 | 112.5 | L36 A37 L40 L52 L63 F65 R70 D71 V72 T74 I101 | L36-L67 HydrophobicContact CB-CD2 4.01Å; A37-L67 HydrophobicContact CB-CD2 4.2Å; L40-L67 HydrophobicContact CD1-CD1 3.86Å; L40-L67 HydrophobicContact CD1-CD2 4.16Å; L52-L67 HydrophobicContact CD1-CD1 4.13Å; L63-L67 HydrophobicContact CD1-CD1 3.79Å; L63-L67 HydrophobicContact CD1-CG 3.93Å; L63-L67 HydrophobicContact CG-CD1 3.9Å; L63-L67 HydrophobicContact CG-CG 4.38Å; L63-L67 VanDerWaalsContact O-CB 3.32Å; L63-L67 WeakPolarHBondContact O-CB 3.44Å; L63-L67 VanDerWaalsContact O-CG 3.32Å; L63-L67 WeakPolarHBondContact O-CG 3.4Å; L63-L67 PolarHBondContact O-N 2.93Å; F65-L67 VanDerWaalsContact C-N 3.3Å; F65-L67 PolarHBondContact O-N 2.78Å; L67-R70 CarbonylContact O-C 3.53Å; L67-R70 VanDerWaalsContact O-C 3.3Å; L67-R70 WeakPolarHBondContact O-CA 3.48Å; L67-R70 PolarHBondContact O-N 2.91Å; L67-R70 VanDerWaalsContact O-N 3.13Å; L67-D71 PolarHBondContact O-N 3.39Å; L67-V72 CarbonylContact C-O 3.54Å; L67-V72 HydrophobicContact CB-CB 4.29Å; L67-V72 WeakPolarHBondContact O-CB 3.47Å; L67-V72 PolarHBondContact O-N 3.19Å; L67-T74 HydrophobicContact CB-CG2 4.4Å; L67-T74 HydrophobicContact CD1-CG2 3.94Å; L67-I101 HydrophobicContact CD1-CD1 4.3Å |
| 68 | A | 82.8 | Confident | 85.4 | Confident | 51 Ų | 51 | 59.1 Ų | 59.1 | 42% | 0.421 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.4 | -36.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K64 F65 R70 D71 | K64-A68 VanDerWaalsContact O-CB 3.29Å; K64-A68 WeakPolarHBondContact O-CB 3.25Å; K64-A68 PolarHBondContact O-N 3.11Å; K64-A68 VanDerWaalsContact O-N 3.09Å; F65-A68 WeakPolarHBondContact O-CB 3.1Å; F65-A68 PolarHBondContact O-N 2.78Å; A68-R70 PolarHBondContact O-N 2.93Å; A68-D71 PolarHBondContact O-N 3.29Å |
| 69 | E | 81.4 | Confident | 84.8 | Confident | 120 Ų | 120 | 55.3 Ų | 55.3 | 56% | 0.561 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.9 | -26.8 | 170.5 | -69.3 | -163.4 | 136.1 | 0 | 0 | 112.3 | F65 D71 | F65-E69 HydrophobicContact CD1-CG 4.25Å; F65-E69 HydrophobicContact CE1-CG 3.84Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.16Å; F65-E69 HydrophobicContact CZ-CG 4.2Å; F65-E69 PolarHBondContact O-N 3.44Å; E69-D71 VanDerWaalsContact C-N 3.26Å; E69-D71 PolarHBondContact O-N 2.92Å |
| 70 | R | 86.4 | Confident | 83.7 | Confident | 37 Ų | 37 | 62 Ų | 62 | 14% | 0.14 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 20.7 | 173.9 | -65.6 | 168.5 | 176 | 85 | -3.1 | 112.8 | L33 D34 A37 R41 E66 L67 A68 V72 | L33-R70 VanDerWaalsContact CB-CZ 3.43Å; L33-R70 WeakPolarHBondContact O-CD 3.37Å; D34-R70 IonicContact OD1-CZ 2.68Å; D34-R70 IonicContact OD1-NE 3.16Å; D34-R70 PolarHBondContact OD1-NE 3.11Å; D34-R70 IonicContact OD1-NH2 3.27Å; A37-R70 HydrophobicContact CB-CB 3.71Å; A37-R70 HydrophobicContact CB-CG 4.37Å; R41-R70 PolarHBondContact NE-O 3.1Å; R41-R70 VanDerWaalsContact NE-O 3.11Å; R41-R70 PolarHBondContact NH2-O 3.49Å; E66-R70 WeakPolarHBondContact O-CD 3.25Å; E66-R70 WeakPolarHBondContact O-CG 3.39Å; E66-R70 PolarHBondContact O-N 3.29Å; E66-R70 PolarHBondContact O-NH1 2.97Å; E66-R70 IonicContact OE2-CZ 3.42Å; E66-R70 IonicContact OE2-NH1 2.73Å; E66-R70 PolarHBondContact OE2-NH1 3.14Å; E66-R70 IonicContact OE2-NH2 2.67Å; L67-R70 CarbonylContact O-C 3.53Å; L67-R70 VanDerWaalsContact O-C 3.3Å; L67-R70 WeakPolarHBondContact O-CA 3.48Å; L67-R70 PolarHBondContact O-N 2.91Å; L67-R70 VanDerWaalsContact O-N 3.13Å; A68-R70 PolarHBondContact O-N 2.93Å; R70-V72 PolarHBondContact O-N 3.08Å |
| 71 | D | 80.1 | Confident | 82.6 | Confident | 106 Ų | 106 | 63.2 Ų | 63.2 | 57% | 0.567 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 29 | 178 | -58.5 | -55.6 | 0 | 0 | 0 | 114 | L67 A68 E69 K797 | L67-D71 PolarHBondContact O-N 3.39Å; A68-D71 PolarHBondContact O-N 3.29Å; E69-D71 VanDerWaalsContact C-N 3.26Å; E69-D71 PolarHBondContact O-N 2.92Å; D71-K797 IonicContact OD1-NZ 3.2Å; D71-K797 PolarHBondContact OD1-NZ 3.03Å; D71-K797 IonicContact OD2-NZ 2.88Å; D71-K797 PolarHBondContact OD2-NZ 3.37Å |
| 72 | V | 82.6 | Confident | 81.5 | Confident | 12 Ų | 12 | 63 Ų | 63 | 7% | 0.073 | 34% | 0.336 | C | S | . | . | trans | -108.6 | 111.4 | 175.4 | -175.6 | 0 | 0 | 0 | 0 | 110.9 | A37 L40 R41 L67 R70 T74 | A37-V72 HydrophobicContact CB-CG2 3.9Å; L40-V72 HydrophobicContact CB-CG1 3.85Å; L40-V72 HydrophobicContact CD1-CG1 3.98Å; R41-V72 HydrophobicContact CG-CG2 3.73Å; L67-V72 CarbonylContact C-O 3.54Å; L67-V72 HydrophobicContact CB-CB 4.29Å; L67-V72 WeakPolarHBondContact O-CB 3.47Å; L67-V72 PolarHBondContact O-N 3.19Å; R70-V72 PolarHBondContact O-N 3.08Å; V72-T74 HydrophobicContact CG1-CG2 4.06Å; V72-T74 PolarHBondContact O-N 3.02Å | ||
| 73 | N | 81.8 | Confident | 80.6 | Confident | 119 Ų | 119 | 60.8 Ų | 60.8 | 64% | 0.636 | 33% | 0.334 | S | S | * | . | trans | -76.1 | 121.5 | 178.8 | -70.9 | -57.7 | 0 | 0 | 0 | 111.5 | Q98 | N73-Q98 HydrophobicContact CB-CG 4.28Š| ||
| 74 | T | 89.6 | Confident | 80.1 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 4% | 0.043 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 150.4 | -176.9 | 56.3 | 0 | 0 | 0 | 0 | 112.4 | L52 K64 L67 V72 A99 I101 | L52-T74 HydrophobicContact CD1-CG2 4.29Å; K64-T74 VanDerWaalsContact CE-O 3.3Å; K64-T74 WeakPolarHBondContact CE-O 3.31Å; K64-T74 PolarHBondContact NZ-O 3.11Å; L67-T74 HydrophobicContact CB-CG2 4.4Å; L67-T74 HydrophobicContact CD1-CG2 3.94Å; V72-T74 HydrophobicContact CG1-CG2 4.06Å; V72-T74 PolarHBondContact O-N 3.02Å; T74-A99 WeakPolarHBondContact CA-O 3.14Å; T74-A99 HydrophobicContact CG2-CB 4.31Å; T74-I101 HydrophobicContact CG2-CD1 4.09Å; T74-I101 VanDerWaalsContact OG1-CD1 3.3Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.46Å |
| 75 | I | 89.7 | Confident | 79.4 | Confident | 36 Ų | 36 | 59.6 Ų | 59.6 | 19% | 0.185 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 108.8 | 177.6 | -71.1 | 167.4 | 0 | 0 | 0 | 109 | V87 I96 Q98 A99 L100 I101 | I75-V87 HydrophobicContact CG2-CG1 3.98Å; I75-I96 HydrophobicContact CD1-CG2 3.2Å; I75-Q98 HydrophobicContact CD1-CB 3.99Å; I75-Q98 HydrophobicContact CG1-CB 4.15Å; I75-A99 PolarHBondContact N-O 3.37Å; I75-L100 HydrophobicContact CG2-CD1 4.19Å; I75-L100 CarbonylContact O-C 3.57Å; I75-L100 WeakPolarHBondContact O-CA 3.43Å; I75-I101 PolarHBondContact O-N 2.87Å |
| 76 | L | 89.4 | Confident | 79.1 | Confident | 26 Ų | 26 | 59.1 Ų | 59.1 | 14% | 0.136 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 127.9 | 162.6 | 175.5 | 64.6 | 0 | 0 | 0 | 109.5 | A60 E61 K64 P78 I101 | A60-L76 HydrophobicContact CB-CD1 3.49Å; A60-L76 VanDerWaalsContact CB-CD1 3.49Å; E61-L76 HydrophobicContact CB-CD2 4.35Å; E61-L76 HydrophobicContact CG-CD2 3.44Å; E61-L76 VanDerWaalsContact CG-CD2 3.44Å; K64-L76 HydrophobicContact CD-CB 3.55Å; L76-P78 WeakPolarHBondContact O-CD 3.32Å; L76-I101 CarbonylContact C-O 3.58Å; L76-I101 WeakPolarHBondContact CA-O 3.41Å; L76-I101 HydrophobicContact CD1-CB 4.36Å; L76-I101 HydrophobicContact CD1-CG2 4.04Å |
| 77 | L | 83.9 | Confident | 78.8 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | trans | -88.2 | 104.8 | 169.6 | -166.4 | 71.8 | 0 | 0 | 0 | 108.8 | V84 V87 L88 L100 I101 L102 M106 | L77-V84 HydrophobicContact CD1-CB 4.33Å; L77-V84 HydrophobicContact CD1-CG1 4.12Å; L77-V84 HydrophobicContact CD1-CG2 4.07Å; L77-V84 HydrophobicContact CD2-CG1 4.26Å; L77-V84 HydrophobicContact CG-CG1 4.29Å; L77-V84 HydrophobicContact CG-CG2 4.17Å; L77-V87 HydrophobicContact CD1-CB 4.22Å; L77-V87 HydrophobicContact CD1-CG1 4.04Å; L77-L88 HydrophobicContact CD1-CD2 4.37Å; L77-L88 HydrophobicContact CD1-CG 4.11Å; L77-L88 HydrophobicContact CD2-CD1 4.13Å; L77-L88 HydrophobicContact CD2-CD2 3.95Å; L77-L88 HydrophobicContact CD2-CG 4.14Å; L77-L100 HydrophobicContact CB-CD1 4.17Å; L77-L100 HydrophobicContact CD1-CD1 4.46Å; L77-I101 PolarHBondContact N-O 2.86Å; L77-L102 HydrophobicContact CB-CB 4.32Å; L77-M106 HydrophobicContact CD2-CB 4.36Å; L77-M106 HydrophobicContact CD2-CE 3.9Å; L77-M106 HydrophobicContact CG-CE 4.06Å | ||
| 78 | P | 72 | Confident | 78.7 | Confident | 63 Ų | 63 | 60.1 Ų | 60.1 | 41% | 0.409 | 35% | 0.351 | S | S | . | . | trans | -77.1 | 138.2 | -170.7 | 30.6 | -34.8 | 0 | 0 | 0 | 111.8 | L76 H80 G81 V84 | L76-P78 WeakPolarHBondContact O-CD 3.32Å; P78-H80 PolarHBondContact O-N 3.48Å; P78-G81 PolarHBondContact O-N 3.3Å; P78-V84 WeakPolarHBondContact O-CG2 3.34Å | ||
| 79 | P | 68.8 | Low | 78.6 | Confident | 47 Ų | 47 | 62 Ų | 62 | 31% | 0.305 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 133 | 176.7 | 23.9 | -33.1 | 0 | 0 | 0 | 111.7 | N57 G81 M106 | N57-P79 HydrophobicContact CB-CG 4.16Å; N57-P79 WeakPolarHBondContact OD1-CD 3.5Å; N57-P79 WeakPolarHBondContact OD1-CG 3.47Å; P79-G81 PolarHBondContact O-N 2.91Å; P79-G81 VanDerWaalsContact O-N 3.15Å; P79-M106 HydrophobicContact CB-SD 4.18Å |
| 80 | H | 65.3 | Low | 78.5 | Confident | 168 Ų | 168 | 60 Ų | 60 | 78% | 0.778 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 23.1 | -178.7 | -40.4 | -62.5 | 0 | 0 | 0 | 115.1 | P78 A82 | P78-H80 PolarHBondContact O-N 3.48Å; H80-A82 PolarHBondContact O-N 3.36Å |
| 81 | G | 63.7 | Low | 78.6 | Confident | 25 Ų | 25 | 58.4 Ų | 58.4 | 26% | 0.258 | 34% | 0.341 | S | S | . | . | trans | -69.6 | 123.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P78 P79 M83 V84 | P78-G81 PolarHBondContact O-N 3.3Å; P79-G81 PolarHBondContact O-N 2.91Å; P79-G81 VanDerWaalsContact O-N 3.15Å; G81-M83 PolarHBondContact O-N 2.9Å; G81-V84 WeakPolarHBondContact O-CB 3.45Å; G81-V84 WeakPolarHBondContact O-CG2 3.36Å; G81-V84 PolarHBondContact O-N 3.35Å | ||
| 82 | A | 63.9 | Low | 78.5 | Confident | 105 Ų | 105 | 55 Ų | 55 | 87% | 0.868 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -11.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | H80 | H80-A82 PolarHBondContact O-N 3.36Š|
| 83 | M | 68.6 | Low | 78.4 | Confident | 112 Ų | 112 | 61 Ų | 61 | 55% | 0.552 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -2.1 | 177.4 | -54.6 | -64.3 | -75.4 | 0 | 0 | 113.5 | G81 G85 Q86 V87 | G81-M83 PolarHBondContact O-N 2.9Å; M83-G85 PolarHBondContact O-N 2.93Å; M83-Q86 WeakPolarHBondContact O-CB 3.48Å; M83-Q86 PolarHBondContact O-N 3.46Å; M83-V87 HydrophobicContact CB-CG2 4.48Å; M83-V87 PolarHBondContact O-N 3.43Å |
| 84 | V | 78.3 | Confident | 78 | Confident | 12 Ų | 12 | 56.9 Ų | 56.9 | 7% | 0.073 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -51.5 | -51.1 | -173.1 | 159.2 | 0 | 0 | 0 | 0 | 112.2 | L77 P78 G81 Q86 V87 L88 M106 H109 | L77-V84 HydrophobicContact CD1-CB 4.33Å; L77-V84 HydrophobicContact CD1-CG1 4.12Å; L77-V84 HydrophobicContact CD1-CG2 4.07Å; L77-V84 HydrophobicContact CD2-CG1 4.26Å; L77-V84 HydrophobicContact CG-CG1 4.29Å; L77-V84 HydrophobicContact CG-CG2 4.17Å; P78-V84 WeakPolarHBondContact O-CG2 3.34Å; G81-V84 WeakPolarHBondContact O-CB 3.45Å; G81-V84 WeakPolarHBondContact O-CG2 3.36Å; G81-V84 PolarHBondContact O-N 3.35Å; V84-Q86 VanDerWaalsContact C-N 3.28Å; V84-Q86 PolarHBondContact O-N 3.43Å; V84-V87 PolarHBondContact O-N 3.11Å; V84-L88 HydrophobicContact CG1-CD1 3.9Å; V84-L88 WeakPolarHBondContact O-CG 3.2Å; V84-L88 PolarHBondContact O-N 2.89Å; V84-M106 HydrophobicContact CB-CE 4.37Å; V84-M106 HydrophobicContact CG1-CE 3.69Å; V84-M106 HydrophobicContact CG2-CE 3.75Å; V84-H109 HydrophobicContact CG1-CB 4.28Å |
| 85 | G | 77.2 | Confident | 77.4 | Confident | 54 Ų | 54 | 64.9 Ų | 64.9 | 56% | 0.557 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.5 | -30.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | M83 L89 | M83-G85 PolarHBondContact O-N 2.93Å; G85-L89 WeakPolarHBondContact O-CB 3.43Å; G85-L89 PolarHBondContact O-N 2.97Å |
| 86 | Q | 79.6 | Confident | 77 | Confident | 112 Ų | 112 | 64.9 Ų | 64.9 | 52% | 0.523 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -75.3 | -40.6 | 175.4 | -64.3 | -174 | -0.3 | 0 | 0 | 111.7 | M83 V84 L89 L90 | M83-Q86 WeakPolarHBondContact O-CB 3.48Å; M83-Q86 PolarHBondContact O-N 3.46Å; V84-Q86 VanDerWaalsContact C-N 3.28Å; V84-Q86 PolarHBondContact O-N 3.43Å; Q86-L89 PolarHBondContact O-N 2.9Å; Q86-L90 WeakPolarHBondContact O-CB 3.35Å; Q86-L90 VanDerWaalsContact O-CG 3.29Å; Q86-L90 WeakPolarHBondContact O-CG 3.31Å; Q86-L90 PolarHBondContact O-N 2.63Å |
| 87 | V | 82.6 | Confident | 76.5 | Confident | 37 Ų | 37 | 66.9 Ų | 66.9 | 22% | 0.224 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 175.6 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | I75 L77 M83 V84 L89 L90 W91 | I75-V87 HydrophobicContact CG2-CG1 3.98Å; L77-V87 HydrophobicContact CD1-CB 4.22Å; L77-V87 HydrophobicContact CD1-CG1 4.04Å; M83-V87 HydrophobicContact CB-CG2 4.48Å; M83-V87 PolarHBondContact O-N 3.43Å; V84-V87 PolarHBondContact O-N 3.11Å; V87-L89 PolarHBondContact O-N 3.31Å; V87-L90 PolarHBondContact O-N 2.9Å; V87-W91 VanDerWaalsContact O-CB 3.28Å; V87-W91 WeakPolarHBondContact O-CB 3.45Å; V87-W91 PolarHBondContact O-N 3.47Å |
| 88 | L | 84.3 | Confident | 76.7 | Confident | 12 Ų | 12 | 70.5 Ų | 70.5 | 6% | 0.063 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 176.1 | -72.5 | 172.7 | 0 | 0 | 0 | 112.5 | L77 V84 W91 S92 L100 H109 L110 | L77-L88 HydrophobicContact CD1-CD2 4.37Å; L77-L88 HydrophobicContact CD1-CG 4.11Å; L77-L88 HydrophobicContact CD2-CD1 4.13Å; L77-L88 HydrophobicContact CD2-CD2 3.95Å; L77-L88 HydrophobicContact CD2-CG 4.14Å; V84-L88 HydrophobicContact CG1-CD1 3.9Å; V84-L88 WeakPolarHBondContact O-CG 3.2Å; V84-L88 PolarHBondContact O-N 2.89Å; L88-W91 PolarHBondContact O-N 3.08Å; L88-S92 VanDerWaalsContact O-CB 3.3Å; L88-S92 WeakPolarHBondContact O-CB 3.31Å; L88-S92 PolarHBondContact O-N 3.19Å; L88-S92 PolarHBondContact O-OG 3.42Å; L88-S92 VanDerWaalsContact O-OG 3.12Å; L88-L100 HydrophobicContact CD2-CD2 3.74Å; L88-H109 WeakPolarHBondContact CD1-O 3.41Å; L88-L110 HydrophobicContact CD2-CD2 4.07Å |
| 89 | L | 80.5 | Confident | 77.5 | Confident | 92 Ų | 92 | 68.1 Ų | 68.1 | 48% | 0.482 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.5 | -35.9 | 177.4 | -178.8 | 63.1 | 0 | 0 | 0 | 113.3 | G85 Q86 V87 S92 K93 | G85-L89 WeakPolarHBondContact O-CB 3.43Å; G85-L89 PolarHBondContact O-N 2.97Å; Q86-L89 PolarHBondContact O-N 2.9Å; V87-L89 PolarHBondContact O-N 3.31Å; L89-S92 PolarHBondContact O-OG 3.43Å; L89-K93 HydrophobicContact CD1-CD 4.24Å; L89-K93 WeakPolarHBondContact O-CB 3.49Å; L89-K93 WeakPolarHBondContact O-CG 3.36Å; L89-K93 PolarHBondContact O-N 3.1Å |
| 90 | L | 81 | Confident | 78.5 | Confident | 78 Ų | 78 | 65.9 Ų | 65.9 | 41% | 0.408 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -74.7 | -36.7 | 176.5 | -70.7 | 170.3 | 0 | 0 | 0 | 111.6 | Q86 V87 G94 Y95 I96 | Q86-L90 WeakPolarHBondContact O-CB 3.35Å; Q86-L90 VanDerWaalsContact O-CG 3.29Å; Q86-L90 WeakPolarHBondContact O-CG 3.31Å; Q86-L90 PolarHBondContact O-N 2.63Å; V87-L90 PolarHBondContact O-N 2.9Å; L90-G94 PolarHBondContact O-N 3.17Å; L90-Y95 HydrophobicContact CD2-CD2 3.91Å; L90-Y95 HydrophobicContact CD2-CG 4.18Å; L90-Y95 WeakPolarHBondContact O-CB 3.47Å; L90-Y95 PolarHBondContact O-N 3.02Å; L90-I96 HydrophobicContact CB-CD1 3.52Å; L90-I96 HydrophobicContact CB-CG1 3.89Å; L90-I96 HydrophobicContact CD1-CD1 4.32Å; L90-I96 PolarHBondContact O-N 3.22Å |
| 91 | W | 87 | Confident | 79.8 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.7 | -48 | 175.4 | -169.9 | 85.5 | 0 | 0 | 0 | 112.4 | K49 T50 I51 V87 L88 K93 G94 I96 Q98 L100 V113 A115 | K49-W91 HydrophobicContact CB-CH2 3.73Å; K49-W91 HydrophobicContact CB-CZ2 3.84Å; K49-W91 HydrophobicContact CB-CZ3 4.42Å; K49-W91 HydrophobicContact CG-CH2 4.44Å; K49-W91 HydrophobicContact CG-CZ2 4.41Å; T50-W91 WeakPolarHBondContact O-CZ2 3.12Å; I51-W91 HydrophobicContact CD1-CH2 4.01Å; I51-W91 HydrophobicContact CD1-CZ3 4.3Å; I51-W91 HydrophobicContact CG1-CH2 3.53Å; I51-W91 HydrophobicContact CG1-CZ2 4.13Å; I51-W91 HydrophobicContact CG1-CZ3 4.27Å; V87-W91 VanDerWaalsContact O-CB 3.28Å; V87-W91 WeakPolarHBondContact O-CB 3.45Å; V87-W91 PolarHBondContact O-N 3.47Å; L88-W91 PolarHBondContact O-N 3.08Å; W91-K93 PolarHBondContact O-N 3.44Å; W91-G94 PolarHBondContact O-N 2.94Å; W91-I96 HydrophobicContact CB-CB 4.29Å; W91-I96 VanDerWaalsContact CD1-O 3.32Å; W91-Q98 PolarHBondContact NE1-O 2.91Å; W91-L100 HydrophobicContact CD2-CB 4.38Å; W91-L100 HydrophobicContact CD2-CD2 4.25Å; W91-L100 HydrophobicContact CE3-CD2 4.28Å; W91-L100 HydrophobicContact CZ2-CB 3.91Å; W91-L100 HydrophobicContact CZ3-CD2 4.5Å; W91-V113 HydrophobicContact CZ3-CB 4.29Å; W91-A115 HydrophobicContact CH2-CB 4.25Å |
| 92 | S | 79.8 | Confident | 81.1 | Confident | 34 Ų | 34 | 56.7 Ų | 56.7 | 24% | 0.238 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62 | -33 | 178.3 | 69.4 | 0 | 0 | 0 | 0 | 112.6 | K49 L88 L89 | K49-S92 PolarHBondContact NZ-O 3.28Å; L88-S92 VanDerWaalsContact O-CB 3.3Å; L88-S92 WeakPolarHBondContact O-CB 3.31Å; L88-S92 PolarHBondContact O-N 3.19Å; L88-S92 PolarHBondContact O-OG 3.42Å; L88-S92 VanDerWaalsContact O-OG 3.12Å; L89-S92 PolarHBondContact O-OG 3.43Å |
| 93 | K | 79.6 | Confident | 82.4 | Confident | 140 Ų | 140 | 52.1 Ų | 52.1 | 61% | 0.609 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 1 | 173.9 | -70.6 | -171.8 | 174.5 | -170.8 | 0 | 115.5 | L89 W91 Y95 | L89-K93 HydrophobicContact CD1-CD 4.24Å; L89-K93 WeakPolarHBondContact O-CB 3.49Å; L89-K93 WeakPolarHBondContact O-CG 3.36Å; L89-K93 PolarHBondContact O-N 3.1Å; W91-K93 PolarHBondContact O-N 3.44Å; K93-Y95 VanDerWaalsContact C-N 3.34Å; K93-Y95 HydrophobicContact CB-CD2 3.67Å; K93-Y95 HydrophobicContact CB-CE2 3.71Å; K93-Y95 HydrophobicContact CD-CE2 4.15Å; K93-Y95 PolarHBondContact O-N 3.24Å |
| 94 | G | 74 | Confident | 83.2 | Confident | 32 Ų | 32 | 48.4 Ų | 48.4 | 33% | 0.33 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 19 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L90 W91 N97 | L90-G94 PolarHBondContact O-N 3.17Å; W91-G94 PolarHBondContact O-N 2.94Å; G94-N97 PolarHBondContact O-OD1 3.4Å |
| 95 | Y | 76.8 | Confident | 83.4 | Confident | 175 Ų | 175 | 50.2 Ų | 50.2 | 69% | 0.686 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -79.6 | -9.2 | 166.2 | -64 | -74.8 | 0 | 0 | 0 | 112.3 | L90 K93 | L90-Y95 HydrophobicContact CD2-CD2 3.91Å; L90-Y95 HydrophobicContact CD2-CG 4.18Å; L90-Y95 WeakPolarHBondContact O-CB 3.47Å; L90-Y95 PolarHBondContact O-N 3.02Å; K93-Y95 VanDerWaalsContact C-N 3.34Å; K93-Y95 HydrophobicContact CB-CD2 3.67Å; K93-Y95 HydrophobicContact CB-CE2 3.71Å; K93-Y95 HydrophobicContact CD-CE2 4.15Å; K93-Y95 PolarHBondContact O-N 3.24Å |
| 96 | I | 81.5 | Confident | 83.8 | Confident | 35 Ų | 35 | 47.7 Ų | 47.7 | 18% | 0.179 | 26% | 0.255 | C | S | . | . | trans | -134.4 | 110.8 | -178.8 | -60 | 179.5 | 0 | 0 | 0 | 108.7 | I75 L90 W91 | I75-I96 HydrophobicContact CD1-CG2 3.2Å; L90-I96 HydrophobicContact CB-CD1 3.52Å; L90-I96 HydrophobicContact CB-CG1 3.89Å; L90-I96 HydrophobicContact CD1-CD1 4.32Å; L90-I96 PolarHBondContact O-N 3.22Å; W91-I96 HydrophobicContact CB-CB 4.29Å; W91-I96 VanDerWaalsContact CD1-O 3.32Å | ||
| 97 | N | 78.7 | Confident | 84 | Confident | 69 Ų | 69 | 42.6 Ų | 42.6 | 37% | 0.369 | 23% | 0.231 | S | C | . | . | trans | -102.6 | 21.4 | -171.5 | -71.7 | 4.6 | 0 | 0 | 0 | 113.1 | A45 N46 G94 | A45-N97 VanDerWaalsContact O-CB 3.31Å; A45-N97 WeakPolarHBondContact O-CB 3.37Å; N46-N97 PolarHBondContact OD1-ND2 2.97Å; G94-N97 PolarHBondContact O-OD1 3.4Å | ||
| 98 | Q | 87.2 | Confident | 83.8 | Confident | 76 Ų | 76 | 46.6 Ų | 46.6 | 36% | 0.355 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -102.1 | 145.3 | 179.6 | -65 | -178.8 | 16.5 | 0 | 0 | 109.9 | N73 I75 W91 L100 | N73-Q98 HydrophobicContact CB-CG 4.28Å; I75-Q98 HydrophobicContact CD1-CB 3.99Å; I75-Q98 HydrophobicContact CG1-CB 4.15Å; W91-Q98 PolarHBondContact NE1-O 2.91Å; Q98-L100 PolarHBondContact O-N 3.31Å |
| 99 | A | 88.6 | Confident | 83.4 | Confident | 13 Ų | 13 | 49.6 Ų | 49.6 | 11% | 0.107 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 136.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | L40 T50 L52 T74 I75 | L40-A99 HydrophobicContact CD2-CB 3.91Å; T50-A99 HydrophobicContact CG2-CB 4.36Å; T50-A99 WeakPolarHBondContact O-CA 3.38Å; L52-A99 HydrophobicContact CD1-CB 3.74Å; T74-A99 WeakPolarHBondContact CA-O 3.14Å; T74-A99 HydrophobicContact CG2-CB 4.31Å; I75-A99 PolarHBondContact N-O 3.37Å |
| 100 | L | 90.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 112.6 | -172.4 | -175.6 | 71.5 | 0 | 0 | 0 | 110.1 | T50 I51 L52 I75 L77 L88 W91 Q98 L102 L110 | T50-L100 PolarHBondContact O-N 3.16Å; I51-L100 CarbonylContact C-O 3.53Å; I51-L100 WeakPolarHBondContact CA-O 3.37Å; L52-L100 PolarHBondContact N-O 2.83Å; I75-L100 HydrophobicContact CG2-CD1 4.19Å; I75-L100 CarbonylContact O-C 3.57Å; I75-L100 WeakPolarHBondContact O-CA 3.43Å; L77-L100 HydrophobicContact CB-CD1 4.17Å; L77-L100 HydrophobicContact CD1-CD1 4.46Å; L88-L100 HydrophobicContact CD2-CD2 3.74Å; W91-L100 HydrophobicContact CD2-CB 4.38Å; W91-L100 HydrophobicContact CD2-CD2 4.25Å; W91-L100 HydrophobicContact CE3-CD2 4.28Å; W91-L100 HydrophobicContact CZ2-CB 3.91Å; W91-L100 HydrophobicContact CZ3-CD2 4.5Å; Q98-L100 PolarHBondContact O-N 3.31Å; L100-L102 HydrophobicContact CD2-CD2 4.25Å; L100-L110 HydrophobicContact CD2-CD2 4.26Å |
| 101 | I | 92.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 132.9 | 173.8 | -57.8 | 167.1 | 0 | 0 | 0 | 109.3 | L52 A60 L63 K64 L67 T74 I75 L76 L77 | L52-I101 HydrophobicContact CB-CB 4.36Å; L52-I101 HydrophobicContact CB-CG1 3.81Å; L52-I101 HydrophobicContact CD1-CD1 4.4Å; L52-I101 HydrophobicContact CD1-CG1 3.65Å; L52-I101 HydrophobicContact CG-CG1 4.37Å; L52-I101 WeakPolarHBondContact O-CA 3.27Å; A60-I101 HydrophobicContact CB-CG2 3.82Å; L63-I101 HydrophobicContact CD2-CD1 4.32Å; L63-I101 HydrophobicContact CD2-CG1 4.34Å; L63-I101 HydrophobicContact CD2-CG2 4.09Å; L63-I101 HydrophobicContact CG-CD1 4.17Å; K64-I101 HydrophobicContact CB-CD1 3.75Å; K64-I101 HydrophobicContact CG-CD1 4.49Å; L67-I101 HydrophobicContact CD1-CD1 4.3Å; T74-I101 HydrophobicContact CG2-CD1 4.09Å; T74-I101 VanDerWaalsContact OG1-CD1 3.3Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.46Å; I75-I101 PolarHBondContact O-N 2.87Å; L76-I101 CarbonylContact C-O 3.58Å; L76-I101 WeakPolarHBondContact CA-O 3.41Å; L76-I101 HydrophobicContact CD1-CB 4.36Å; L76-I101 HydrophobicContact CD1-CG2 4.04Å; L77-I101 PolarHBondContact N-O 2.86Å |
| 102 | L | 91.3 | Very high | 81.8 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 162.5 | 175.7 | 63.7 | 89.4 | 0 | 0 | 0 | 111.8 | I51 L52 I53 C54 L77 L100 M106 L107 L110 | I51-L102 HydrophobicContact CG2-CD2 3.71Å; I51-L102 HydrophobicContact CG2-CG 4.19Å; L52-L102 PolarHBondContact O-N 2.83Å; I53-L102 WeakPolarHBondContact CA-O 3.36Å; I53-L102 HydrophobicContact CG1-CD1 4.13Å; I53-L102 HydrophobicContact CG2-CD1 4.08Å; C54-L102 PolarHBondContact N-O 3.03Å; L77-L102 HydrophobicContact CB-CB 4.32Å; L100-L102 HydrophobicContact CD2-CD2 4.25Å; L102-M106 HydrophobicContact CB-CB 4.15Å; L102-L107 HydrophobicContact CD1-CD2 3.72Å; L102-L107 HydrophobicContact CD1-CG 4.26Å; L102-L110 HydrophobicContact CD2-CD1 4.01Å; L102-L110 HydrophobicContact CD2-CD2 3.69Å; L102-L110 HydrophobicContact CD2-CG 4.08Å |
| 103 | C | 90.3 | Very high | 81.5 | Confident | 9 Ų | 9 | 48.2 Ų | 48.2 | 6% | 0.061 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 166.8 | 171.9 | 60.2 | 0 | 0 | 0 | 0 | 111.9 | C54 G105 M106 | C54-C103 CarbonylContact O-C 3.5Å; C54-C103 VanDerWaalsContact O-CA 3.29Å; C54-C103 WeakPolarHBondContact O-CA 3.41Å; C103-G105 VanDerWaalsContact C-N 3.25Å; C103-G105 PolarHBondContact O-N 3.4Å; C103-G105 VanDerWaalsContact O-N 3.13Å; C103-M106 WeakPolarHBondContact O-CB 3.48Å; C103-M106 PolarHBondContact O-N 2.83Å |
| 104 | D | 86 | Confident | 81.2 | Confident | 35 Ų | 35 | 48.7 Ų | 48.7 | 19% | 0.187 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -51.8 | -39.8 | -177.6 | -78 | -38.1 | 0 | 0 | 0 | 113.8 | C54 Q55 M106 L107 R132 | C54-D104 PolarHBondContact O-N 3.22Å; Q55-D104 WeakPolarHBondContact CA-OD2 3.33Å; Q55-D104 PolarHBondContact O-N 2.93Å; D104-M106 PolarHBondContact O-N 3.18Å; D104-L107 HydrophobicContact CB-CD1 4.25Å; D104-L107 WeakPolarHBondContact O-CB 3.32Å; D104-L107 VanDerWaalsContact O-CG 3.31Å; D104-L107 WeakPolarHBondContact O-CG 3.42Å; D104-L107 PolarHBondContact O-N 2.87Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.19Å; D104-R132 IonicContact OD1-CZ 3.45Å; D104-R132 IonicContact OD1-NE 3.34Å; D104-R132 PolarHBondContact OD1-NE 3.22Å; D104-R132 IonicContact OD1-NH2 3.14Å; D104-R132 PolarHBondContact OD1-NH2 2.88Å; D104-R132 IonicContact OD2-CZ 2.71Å; D104-R132 IonicContact OD2-NE 3.81Å; D104-R132 IonicContact OD2-NH2 2.72Å; D104-R132 PolarHBondContact OD2-NH2 2.86Å |
| 105 | G | 82.1 | Confident | 81.6 | Confident | 50 Ų | 50 | 47.5 Ų | 47.5 | 52% | 0.515 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -64.3 | -1.2 | 176 | 0 | 0 | 0 | 0 | 0 | 115.9 | C103 | C103-G105 VanDerWaalsContact C-N 3.25Å; C103-G105 PolarHBondContact O-N 3.4Å; C103-G105 VanDerWaalsContact O-N 3.13Å |
| 106 | M | 85.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -110.6 | -0.6 | 174.8 | -63.8 | -54 | -67.4 | 0 | 0 | 113.5 | L77 P79 V84 L102 C103 D104 E108 H109 | L77-M106 HydrophobicContact CD2-CB 4.36Å; L77-M106 HydrophobicContact CD2-CE 3.9Å; L77-M106 HydrophobicContact CG-CE 4.06Å; P79-M106 HydrophobicContact CB-SD 4.18Å; V84-M106 HydrophobicContact CB-CE 4.37Å; V84-M106 HydrophobicContact CG1-CE 3.69Å; V84-M106 HydrophobicContact CG2-CE 3.75Å; L102-M106 HydrophobicContact CB-CB 4.15Å; C103-M106 WeakPolarHBondContact O-CB 3.48Å; C103-M106 PolarHBondContact O-N 2.83Å; D104-M106 PolarHBondContact O-N 3.18Å; M106-E108 PolarHBondContact O-N 3.24Å; M106-H109 HydrophobicContact CE-CB 3.99Å; M106-H109 WeakPolarHBondContact O-CB 3.32Å; M106-H109 PolarHBondContact O-N 3.26Å; M106-H109 VanDerWaalsContact O-N 3.12Å |
| 107 | L | 83.4 | Confident | 82.1 | Confident | 6 Ų | 6 | 41.1 Ų | 41.1 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -64.9 | -39.9 | -178.6 | -67.2 | 168.2 | 0 | 0 | 0 | 112.5 | I53 L102 D104 H109 L110 R132 W135 | I53-L107 HydrophobicContact CD1-CD2 4.16Å; I53-L107 HydrophobicContact CG2-CD2 4.5Å; L102-L107 HydrophobicContact CD1-CD2 3.72Å; L102-L107 HydrophobicContact CD1-CG 4.26Å; D104-L107 HydrophobicContact CB-CD1 4.25Å; D104-L107 WeakPolarHBondContact O-CB 3.32Å; D104-L107 VanDerWaalsContact O-CG 3.31Å; D104-L107 WeakPolarHBondContact O-CG 3.42Å; D104-L107 PolarHBondContact O-N 2.87Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.19Å; L107-H109 PolarHBondContact O-N 3.36Å; L107-L110 HydrophobicContact CD2-CD1 3.98Å; L107-L110 WeakPolarHBondContact O-CB 3.32Å; L107-L110 PolarHBondContact O-N 3.31Å; L107-R132 HydrophobicContact CD1-CB 3.98Å; L107-R132 HydrophobicContact CD1-CG 3.76Å; L107-R132 HydrophobicContact CD2-CG 4.49Å; L107-W135 HydrophobicContact CB-CB 4.04Å; L107-W135 HydrophobicContact CB-CG 4.09Å |
| 108 | E | 78.5 | Confident | 82.6 | Confident | 120 Ų | 120 | 37.9 Ų | 37.9 | 56% | 0.561 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -60.9 | -24.9 | 174.5 | 69.9 | -178.2 | -177.5 | 0 | 0 | 113 | M106 W135 | M106-E108 PolarHBondContact O-N 3.24Å; E108-W135 HydrophobicContact CB-CH2 3.84Å; E108-W135 HydrophobicContact CB-CZ2 3.89Å; E108-W135 HydrophobicContact CB-CZ3 4.23Å |
| 109 | H | 76.4 | Confident | 82.8 | Confident | 75 Ų | 75 | 34.2 Ų | 34.2 | 35% | 0.347 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -84.4 | -13.7 | -177.4 | -71 | 78 | 0 | 0 | 0 | 113.2 | V84 L88 M106 L107 G111 | V84-H109 HydrophobicContact CG1-CB 4.28Å; L88-H109 WeakPolarHBondContact CD1-O 3.41Å; M106-H109 HydrophobicContact CE-CB 3.99Å; M106-H109 WeakPolarHBondContact O-CB 3.32Å; M106-H109 PolarHBondContact O-N 3.26Å; M106-H109 VanDerWaalsContact O-N 3.12Å; L107-H109 PolarHBondContact O-N 3.36Å; H109-G111 VanDerWaalsContact C-N 3.31Å; H109-G111 PolarHBondContact O-N 2.68Å |
| 110 | L | 76.1 | Confident | 83 | Confident | 6 Ų | 6 | 33.6 Ų | 33.6 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | trans | -62.6 | -34 | -175.7 | -80.7 | 166.6 | 0 | 0 | 0 | 113.3 | I51 L88 L100 L102 L107 V113 | I51-L110 HydrophobicContact CD1-CD2 4.22Å; L88-L110 HydrophobicContact CD2-CD2 4.07Å; L100-L110 HydrophobicContact CD2-CD2 4.26Å; L102-L110 HydrophobicContact CD2-CD1 4.01Å; L102-L110 HydrophobicContact CD2-CD2 3.69Å; L102-L110 HydrophobicContact CD2-CG 4.08Å; L107-L110 HydrophobicContact CD2-CD1 3.98Å; L107-L110 WeakPolarHBondContact O-CB 3.32Å; L107-L110 PolarHBondContact O-N 3.31Å; L110-V113 HydrophobicContact CB-CG2 4.35Å; L110-V113 HydrophobicContact CD2-CG2 4.1Å; L110-V113 WeakPolarHBondContact O-CG1 3.38Å | ||
| 111 | G | 71.6 | Confident | 82.8 | Confident | 42 Ų | 42 | 34.7 Ų | 34.7 | 43% | 0.433 | 20% | 0.202 | S | C | . | . | trans | 64.1 | -141.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | H109 S139 | H109-G111 VanDerWaalsContact C-N 3.31Å; H109-G111 PolarHBondContact O-N 2.68Å; G111-S139 VanDerWaalsContact O-CA 3.23Å; G111-S139 WeakPolarHBondContact O-CA 3.34Å; G111-S139 WeakPolarHBondContact O-CB 3.41Å; G111-S139 PolarHBondContact O-OG 3.32Å; G111-S139 VanDerWaalsContact O-OG 3.11Å | ||
| 112 | V | 68.4 | Low | 82.4 | Confident | 122 Ų | 122 | 36.8 Ų | 36.8 | 74% | 0.739 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -103.2 | 118.4 | 172.3 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | ||
| 113 | V | 73.4 | Confident | 81.9 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | trans | -139.6 | 123.1 | -176.8 | -73.3 | 0 | 0 | 0 | 0 | 111.5 | I51 W91 L110 A115 S139 | I51-V113 HydrophobicContact CD1-CG2 4.38Å; W91-V113 HydrophobicContact CZ3-CB 4.29Å; L110-V113 HydrophobicContact CB-CG2 4.35Å; L110-V113 HydrophobicContact CD2-CG2 4.1Å; L110-V113 WeakPolarHBondContact O-CG1 3.38Å; V113-A115 PolarHBondContact O-N 3.44Å; V113-A115 VanDerWaalsContact O-N 3.1Å; V113-S139 CarbonylContact C-O 3.54Å; V113-S139 PolarHBondContact N-O 2.88Å | ||
| 114 | E | 72.9 | Confident | 81.4 | Confident | 151 Ų | 151 | 39.9 Ų | 39.9 | 71% | 0.706 | 23% | 0.232 | S | C | * | . | trans | -67.5 | 111.6 | 171.5 | -65.1 | 176.3 | 155.9 | 0 | 0 | 109.3 | K49 | K49-E114 WeakPolarHBondContact CD-O 3.47Š| ||
| 115 | A | 81.3 | Confident | 81.1 | Confident | 6 Ų | 6 | 44.4 Ų | 44.4 | 5% | 0.05 | 25% | 0.252 | C | S | . | . | trans | -120.9 | 137 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | K49 I51 W91 V113 V118 A140 A143 | K49-A115 CarbonylContact O-C 3.55Å; K49-A115 WeakPolarHBondContact O-CA 3.16Å; I51-A115 HydrophobicContact CD1-CB 3.77Å; I51-A115 HydrophobicContact CG1-CB 3.99Å; W91-A115 HydrophobicContact CH2-CB 4.25Å; V113-A115 PolarHBondContact O-N 3.44Å; V113-A115 VanDerWaalsContact O-N 3.1Å; A115-V118 HydrophobicContact CB-CG2 4.48Å; A115-A140 HydrophobicContact CB-CB 4.21Å; A115-A143 VanDerWaalsContact O-CB 3.27Å; A115-A143 WeakPolarHBondContact O-CB 3.4Å | ||
| 116 | N | 83.9 | Confident | 80.7 | Confident | 76 Ų | 76 | 47.5 Ų | 47.5 | 41% | 0.406 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -87.1 | -30.8 | -179.9 | -57 | 91.4 | 0 | 0 | 0 | 111.4 | E48 K49 E144 | E48-N116 HydrophobicContact CB-CB 4.26Å; E48-N116 HydrophobicContact CG-CB 4.42Å; K49-N116 PolarHBondContact N-OD1 3.31Å; K49-N116 PolarHBondContact O-N 3.48Å; N116-E144 PolarHBondContact O-N 3.25Å |
| 117 | L | 86.1 | Confident | 80.2 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 134.2 | -178.4 | 179.5 | 69.2 | 0 | 0 | 0 | 110.2 | T39 K49 T50 I51 I119 E144 L146 | T39-L117 HydrophobicContact CG2-CD2 4.33Å; K49-L117 PolarHBondContact O-N 3.13Å; T50-L117 WeakPolarHBondContact CA-O 3.27Å; T50-L117 HydrophobicContact CG2-CB 4.18Å; T50-L117 HydrophobicContact CG2-CD2 3.85Å; T50-L117 HydrophobicContact CG2-CG 4.12Å; I51-L117 PolarHBondContact N-O 2.98Å; L117-I119 HydrophobicContact CD1-CG1 4.42Å; L117-I119 HydrophobicContact CD2-CD1 3.73Å; L117-I119 HydrophobicContact CD2-CG1 3.79Å; L117-I119 HydrophobicContact CG-CD1 4.31Å; L117-I119 HydrophobicContact CG-CG1 3.81Å; L117-E144 WeakPolarHBondContact CA-O 3.4Å; L117-E144 HydrophobicContact CD1-CB 4.01Å; L117-E144 HydrophobicContact CD1-CG 4.17Å; L117-L146 HydrophobicContact CD1-CB 4.12Å |
| 118 | V | 89.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 123.6 | 169.7 | 178.9 | 0 | 0 | 0 | 0 | 108.6 | I51 I53 A115 L136 A140 A143 E144 M145 L146 | I51-V118 HydrophobicContact CB-CG2 4.38Å; I53-V118 HydrophobicContact CD1-CG1 3.44Å; I53-V118 VanDerWaalsContact CD1-CG1 3.44Å; I53-V118 HydrophobicContact CG1-CG1 4.1Å; A115-V118 HydrophobicContact CB-CG2 4.48Å; V118-L136 HydrophobicContact CG1-CD1 4.04Å; V118-L136 HydrophobicContact CG1-CD2 4.21Å; V118-L136 HydrophobicContact CG2-CD2 4.37Å; V118-A140 HydrophobicContact CG2-CB 4.25Å; V118-A143 HydrophobicContact CG2-CB 3.87Å; V118-E144 PolarHBondContact N-O 2.97Å; V118-M145 HydrophobicContact CB-CE 4.42Å; V118-M145 HydrophobicContact CB-SD 3.72Å; V118-M145 HydrophobicContact CG1-SD 4.11Å; V118-M145 HydrophobicContact CG2-CE 4.37Å; V118-M145 HydrophobicContact CG2-SD 4.32Å; V118-L146 PolarHBondContact O-N 3.12Å |
| 119 | I | 91.3 | Very high | 80.1 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 114.7 | -178.3 | -45.9 | 179.3 | 0 | 0 | 0 | 109.9 | L36 T39 L40 T50 I51 L52 I53 L117 T121 L146 I148 | L36-I119 HydrophobicContact CD2-CD1 4.24Å; L36-I119 HydrophobicContact CD2-CG2 3.72Å; T39-I119 HydrophobicContact CG2-CD1 4.5Å; L40-I119 HydrophobicContact CD2-CD1 4.13Å; T50-I119 HydrophobicContact CG2-CD1 3.87Å; T50-I119 HydrophobicContact CG2-CG1 4.11Å; I51-I119 PolarHBondContact O-N 3.24Å; L52-I119 WeakPolarHBondContact CA-O 3.46Å; L52-I119 HydrophobicContact CD2-CB 4.02Å; L52-I119 HydrophobicContact CD2-CD1 3.99Å; L52-I119 HydrophobicContact CD2-CG1 4.47Å; L52-I119 HydrophobicContact CD2-CG2 4.38Å; I53-I119 PolarHBondContact N-O 3.24Å; L117-I119 HydrophobicContact CD1-CG1 4.42Å; L117-I119 HydrophobicContact CD2-CD1 3.73Å; L117-I119 HydrophobicContact CD2-CG1 3.79Å; L117-I119 HydrophobicContact CG-CD1 4.31Å; L117-I119 HydrophobicContact CG-CG1 3.81Å; I119-T121 HydrophobicContact CG2-CG2 4.13Å; I119-T121 PolarHBondContact O-N 3.08Å; I119-L146 CarbonylContact C-O 3.53Å; I119-L146 VanDerWaalsContact CA-O 3.31Å; I119-L146 WeakPolarHBondContact CA-O 3.42Å; I119-L146 HydrophobicContact CD1-CD2 4.22Å; I119-L146 HydrophobicContact CG1-CB 4.28Å; I119-L146 HydrophobicContact CG1-CD2 4.18Å; I119-L146 HydrophobicContact CG2-CB 4.27Å; I119-L146 HydrophobicContact CG2-CD2 4Å; I119-L146 HydrophobicContact CG2-CG 4.11Å; I119-I148 HydrophobicContact CG2-CD1 4.28Å |
| 120 | H | 91.3 | Very high | 80.2 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 104.8 | 173.2 | -61 | -120.7 | 0 | 0 | 0 | 107.9 | F129 R132 L146 V147 I148 | H120-F129 AromaticContact CE1-CE2 3.75Å; H120-F129 AromaticContact ND1-CE2 3.42Å; H120-F129 WeakPolarHBondContact ND1-CE2 3.46Å; H120-R132 VanDerWaalsContact CE1-CD 3.44Å; H120-R132 WeakPolarHBondContact CE1-CD 3.45Å; H120-R132 VanDerWaalsContact ND1-CD 3.31Å; H120-R132 WeakPolarHBondContact ND1-CD 3.42Å; H120-R132 PolarHBondContact ND1-NH1 3.11Å; H120-L146 PolarHBondContact N-O 3.2Å; H120-V147 HydrophobicContact CB-CG1 4.44Å; H120-V147 HydrophobicContact CB-CG2 4.26Å; H120-I148 PolarHBondContact O-N 2.94Å |
| 121 | T | 87.4 | Confident | 80.4 | Confident | 22 Ų | 22 | 60 Ų | 60 | 14% | 0.135 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -89.9 | -24 | -175.4 | 60.3 | 0 | 0 | 0 | 0 | 113.4 | L36 L52 I53 C54 L63 I119 | L36-T121 HydrophobicContact CD1-CG2 4.06Å; L36-T121 HydrophobicContact CD2-CG2 3.96Å; L52-T121 HydrophobicContact CD2-CG2 3.73Å; I53-T121 PolarHBondContact O-N 3.29Å; I53-T121 PolarHBondContact O-OG1 3.11Å; C54-T121 PolarHBondContact SG-OG1 3.4Å; L63-T121 HydrophobicContact CD2-CG2 3.81Å; I119-T121 HydrophobicContact CG2-CG2 4.13Å; I119-T121 PolarHBondContact O-N 3.08Å |
| 122 | T | 84.3 | Confident | 81.2 | Confident | 45 Ų | 45 | 58.1 Ų | 58.1 | 28% | 0.276 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -132.7 | 139.2 | 164.4 | 48.4 | 0 | 0 | 0 | 0 | 109.6 | C54 Q55 E59 R132 | C54-T122 WeakPolarHBondContact CA-OG1 3.13Å; Q55-T122 PolarHBondContact N-OG1 3.02Å; E59-T122 WeakPolarHBondContact OE2-CB 3.48Å; E59-T122 WeakPolarHBondContact OE2-CG2 3.46Å; E59-T122 PolarHBondContact OE2-OG1 3.44Å; T122-R132 PolarHBondContact O-NH1 2.83Å |
| 123 | L | 81.3 | Confident | 81.9 | Confident | 60 Ų | 60 | 54.4 Ų | 54.4 | 31% | 0.314 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -96.8 | 120.8 | 179.9 | -85 | 169.7 | 0 | 0 | 0 | 110.2 | F129 V147 T149 | L123-F129 HydrophobicContact CD2-CD2 3.74Å; L123-F129 HydrophobicContact CD2-CE2 3.51Å; L123-F129 HydrophobicContact CD2-CZ 4.21Å; L123-V147 HydrophobicContact CD1-CG1 3.7Å; L123-V147 HydrophobicContact CD2-CG1 3.7Å; L123-V147 HydrophobicContact CG-CG1 3.82Å; L123-T149 HydrophobicContact CD1-CG2 4.28Å |
| 124 | P | 79.3 | Confident | 82.2 | Confident | 13 Ų | 13 | 61.2 Ų | 61.2 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -83.9 | 171.8 | 170.9 | 38 | -35.3 | 0 | 0 | 0 | 110.8 | Q55 K128 F129 | Q55-P124 HydrophobicContact CG-CB 4.27Å; P124-K128 HydrophobicContact CB-CB 3.9Å; P124-K128 HydrophobicContact CG-CB 4.14Å; P124-F129 HydrophobicContact CG-CB 4.08Å; P124-F129 HydrophobicContact CG-CD2 4.48Å |
| 125 | E | 78.8 | Confident | 82.6 | Confident | 131 Ų | 131 | 59.1 Ų | 59.1 | 61% | 0.612 | 29% | 0.287 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 148.1 | 170.7 | -60.5 | 162.7 | 143.5 | 0 | 0 | 112 | N127 K128 F129 | E125-N127 VanDerWaalsContact C-N 3.32Å; E125-N127 PolarHBondContact O-N 3Å; E125-N127 VanDerWaalsContact O-N 3.11Å; E125-K128 PolarHBondContact O-N 3.13Å; E125-K128 IonicContact OE2-NZ 3.67Å; E125-K128 PolarHBondContact OE2-NZ 3.3Å; E125-F129 PolarHBondContact O-N 3.1Å |
| 126 | L | 75.1 | Confident | 82.6 | Confident | 115 Ų | 115 | 58.9 Ų | 58.9 | 60% | 0.602 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -46.9 | -48.6 | -171 | -176.3 | 64.2 | 0 | 0 | 0 | 113.7 | K128 F129 E130 | L126-K128 VanDerWaalsContact C-N 3.32Å; L126-K128 PolarHBondContact O-N 3.4Å; L126-F129 CarbonylContact O-C 3.47Å; L126-F129 WeakPolarHBondContact O-CA 3.48Å; L126-F129 WeakPolarHBondContact O-CB 3.43Å; L126-F129 PolarHBondContact O-N 3.18Å; L126-E130 PolarHBondContact O-N 2.78Å |
| 127 | N | 74.1 | Confident | 82.1 | Confident | 123 Ų | 123 | 58.9 Ų | 58.9 | 66% | 0.658 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -58.6 | -41.5 | -179.4 | -56.9 | -0.3 | 0 | 0 | 0 | 112.4 | E125 E130 E131 | E125-N127 VanDerWaalsContact C-N 3.32Å; E125-N127 PolarHBondContact O-N 3Å; E125-N127 VanDerWaalsContact O-N 3.11Å; N127-E130 PolarHBondContact O-N 3.04Å; N127-E131 WeakPolarHBondContact O-CG 3.31Å; N127-E131 PolarHBondContact O-N 3.26Å |
| 128 | K | 76.4 | Confident | 81.2 | Confident | 89 Ų | 89 | 63 Ų | 63 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -75.1 | -29.2 | 176.9 | -70.7 | 171.3 | -175.2 | 145.1 | 0 | 111.8 | P124 E125 L126 E131 R132 | P124-K128 HydrophobicContact CB-CB 3.9Å; P124-K128 HydrophobicContact CG-CB 4.14Å; E125-K128 PolarHBondContact O-N 3.13Å; E125-K128 IonicContact OE2-NZ 3.67Å; E125-K128 PolarHBondContact OE2-NZ 3.3Å; L126-K128 VanDerWaalsContact C-N 3.32Å; L126-K128 PolarHBondContact O-N 3.4Å; K128-E131 PolarHBondContact O-N 3.26Å; K128-R132 WeakPolarHBondContact O-CB 3.48Å; K128-R132 PolarHBondContact O-N 3.16Å |
| 129 | F | 83.1 | Confident | 80.1 | Confident | 20 Ų | 20 | 63.2 Ų | 63.2 | 9% | 0.088 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.6 | -40.9 | 171.9 | -172.6 | -106.9 | 0 | 0 | 0 | 110.9 | F21 H120 L123 P124 E125 L126 R132 L133 | F21-F129 HydrophobicContact CE1-CZ 4.44Å; H120-F129 AromaticContact CE1-CE2 3.75Å; H120-F129 AromaticContact ND1-CE2 3.42Å; H120-F129 WeakPolarHBondContact ND1-CE2 3.46Å; L123-F129 HydrophobicContact CD2-CD2 3.74Å; L123-F129 HydrophobicContact CD2-CE2 3.51Å; L123-F129 HydrophobicContact CD2-CZ 4.21Å; P124-F129 HydrophobicContact CG-CB 4.08Å; P124-F129 HydrophobicContact CG-CD2 4.48Å; E125-F129 PolarHBondContact O-N 3.1Å; L126-F129 CarbonylContact O-C 3.47Å; L126-F129 WeakPolarHBondContact O-CA 3.48Å; L126-F129 WeakPolarHBondContact O-CB 3.43Å; L126-F129 PolarHBondContact O-N 3.18Å; F129-R132 WeakPolarHBondContact O-CB 3.4Å; F129-R132 PolarHBondContact O-N 2.84Å; F129-L133 HydrophobicContact CD1-CD1 3.99Å; F129-L133 HydrophobicContact CD1-CG 4.31Å; F129-L133 HydrophobicContact CE1-CD1 3.63Å; F129-L133 HydrophobicContact CE1-CD2 4.49Å; F129-L133 HydrophobicContact CE1-CG 4.11Å; F129-L133 HydrophobicContact CZ-CD1 4.26Å; F129-L133 HydrophobicContact CZ-CD2 4.32Å; F129-L133 HydrophobicContact CZ-CG 4.39Å; F129-L133 WeakPolarHBondContact O-CG 3.28Å; F129-L133 PolarHBondContact O-N 2.88Å |
| 130 | E | 79.8 | Confident | 78.8 | Confident | 115 Ų | 115 | 63.3 Ų | 63.3 | 54% | 0.537 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 172.6 | -70.9 | -179.5 | -176.4 | 0 | 0 | 112.2 | L126 N127 L133 K134 | L126-E130 PolarHBondContact O-N 2.78Å; N127-E130 PolarHBondContact O-N 3.04Å; E130-L133 PolarHBondContact O-N 2.83Å; E130-K134 WeakPolarHBondContact O-CB 3.42Å; E130-K134 PolarHBondContact O-N 2.85Å |
| 131 | E | 79.3 | Confident | 77.5 | Confident | 122 Ų | 122 | 72.4 Ų | 72.4 | 57% | 0.57 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.5 | -44.5 | 170.6 | -72.7 | 179.4 | 152.7 | 0 | 0 | 112.2 | N127 K128 L133 K134 W135 | N127-E131 WeakPolarHBondContact O-CG 3.31Å; N127-E131 PolarHBondContact O-N 3.26Å; K128-E131 PolarHBondContact O-N 3.26Å; E131-L133 PolarHBondContact O-N 3.08Å; E131-K134 WeakPolarHBondContact O-CB 3.48Å; E131-K134 PolarHBondContact O-N 2.85Å; E131-W135 VanDerWaalsContact O-CD1 3.24Å; E131-W135 PolarHBondContact O-N 2.95Å; E131-W135 VanDerWaalsContact O-N 3.08Å |
| 132 | R | 87.5 | Confident | 76.4 | Confident | 2 Ų | 2 | 79.5 Ų | 79.5 | 1% | 0.008 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.9 | -45.5 | 174.9 | 179.5 | -173.5 | -67.3 | -178.7 | 7.6 | 111.2 | D104 L107 H120 T122 K128 F129 W135 L136 | D104-R132 IonicContact OD1-CZ 3.45Å; D104-R132 IonicContact OD1-NE 3.34Å; D104-R132 PolarHBondContact OD1-NE 3.22Å; D104-R132 IonicContact OD1-NH2 3.14Å; D104-R132 PolarHBondContact OD1-NH2 2.88Å; D104-R132 IonicContact OD2-CZ 2.71Å; D104-R132 IonicContact OD2-NE 3.81Å; D104-R132 IonicContact OD2-NH2 2.72Å; D104-R132 PolarHBondContact OD2-NH2 2.86Å; L107-R132 HydrophobicContact CD1-CB 3.98Å; L107-R132 HydrophobicContact CD1-CG 3.76Å; L107-R132 HydrophobicContact CD2-CG 4.49Å; H120-R132 VanDerWaalsContact CE1-CD 3.44Å; H120-R132 WeakPolarHBondContact CE1-CD 3.45Å; H120-R132 VanDerWaalsContact ND1-CD 3.31Å; H120-R132 WeakPolarHBondContact ND1-CD 3.42Å; H120-R132 PolarHBondContact ND1-NH1 3.11Å; T122-R132 PolarHBondContact O-NH1 2.83Å; K128-R132 WeakPolarHBondContact O-CB 3.48Å; K128-R132 PolarHBondContact O-N 3.16Å; F129-R132 WeakPolarHBondContact O-CB 3.4Å; F129-R132 PolarHBondContact O-N 2.84Å; R132-W135 PolarHBondContact O-N 2.83Å; R132-L136 HydrophobicContact CG-CD1 3.99Å; R132-L136 VanDerWaalsContact O-CG 3.29Å; R132-L136 WeakPolarHBondContact O-CG 3.45Å; R132-L136 PolarHBondContact O-N 2.95Å |
| 133 | L | 83.6 | Confident | 76.1 | Confident | 44 Ų | 44 | 77.7 Ų | 77.7 | 23% | 0.23 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.7 | -37.5 | 176.9 | -68.5 | -174.8 | 0 | 0 | 0 | 112.6 | F21 F129 E130 E131 L136 S137 | F21-L133 HydrophobicContact CE1-CD1 4.38Å; F21-L133 HydrophobicContact CE1-CD2 3.68Å; F21-L133 HydrophobicContact CZ-CD1 3.9Å; F21-L133 HydrophobicContact CZ-CD2 3.68Å; F21-L133 HydrophobicContact CZ-CG 4.46Å; F129-L133 HydrophobicContact CD1-CD1 3.99Å; F129-L133 HydrophobicContact CD1-CG 4.31Å; F129-L133 HydrophobicContact CE1-CD1 3.63Å; F129-L133 HydrophobicContact CE1-CD2 4.49Å; F129-L133 HydrophobicContact CE1-CG 4.11Å; F129-L133 HydrophobicContact CZ-CD1 4.26Å; F129-L133 HydrophobicContact CZ-CD2 4.32Å; F129-L133 HydrophobicContact CZ-CG 4.39Å; F129-L133 WeakPolarHBondContact O-CG 3.28Å; F129-L133 PolarHBondContact O-N 2.88Å; E130-L133 PolarHBondContact O-N 2.83Å; E131-L133 PolarHBondContact O-N 3.08Å; L133-L136 HydrophobicContact CD2-CD1 4.43Å; L133-L136 PolarHBondContact O-N 2.97Å; L133-S137 WeakPolarHBondContact O-CB 3.18Å; L133-S137 PolarHBondContact O-N 2.89Å |
| 134 | K | 80.3 | Confident | 76.2 | Confident | 151 Ų | 151 | 78 Ų | 78 | 66% | 0.657 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -58.6 | -48.9 | 174.6 | -173.2 | 177.9 | 179.1 | -178.3 | 0 | 111.1 | E130 E131 S137 I138 | E130-K134 WeakPolarHBondContact O-CB 3.42Å; E130-K134 PolarHBondContact O-N 2.85Å; E131-K134 WeakPolarHBondContact O-CB 3.48Å; E131-K134 PolarHBondContact O-N 2.85Å; K134-S137 PolarHBondContact O-N 3.45Å; K134-S137 PolarHBondContact O-OG 2.89Å; K134-I138 PolarHBondContact O-N 3.32Å |
| 135 | W | 80.9 | Confident | 76.6 | Confident | 106 Ų | 106 | 77.8 Ų | 77.8 | 40% | 0.402 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 174.1 | -75.1 | 112.3 | 0 | 0 | 0 | 112.8 | L107 E108 E131 R132 S137 I138 S139 | L107-W135 HydrophobicContact CB-CB 4.04Å; L107-W135 HydrophobicContact CB-CG 4.09Å; E108-W135 HydrophobicContact CB-CH2 3.84Å; E108-W135 HydrophobicContact CB-CZ2 3.89Å; E108-W135 HydrophobicContact CB-CZ3 4.23Å; E131-W135 VanDerWaalsContact O-CD1 3.24Å; E131-W135 PolarHBondContact O-N 2.95Å; E131-W135 VanDerWaalsContact O-N 3.08Å; R132-W135 PolarHBondContact O-N 2.83Å; W135-S137 PolarHBondContact O-N 2.85Å; W135-I138 PolarHBondContact O-N 3.45Å; W135-S139 WeakPolarHBondContact O-CB 3.43Å; W135-S139 PolarHBondContact O-N 3.12Å; W135-S139 PolarHBondContact O-OG 3.25Å |
| 136 | L | 81.1 | Confident | 77 | Confident | 2 Ų | 2 | 72.2 Ų | 72.2 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.8 | -33.8 | 178.9 | -69.4 | 168.4 | 0 | 0 | 0 | 113.2 | I53 V118 R132 L133 I138 S139 A140 M145 | I53-L136 HydrophobicContact CD1-CD1 3.76Å; I53-L136 HydrophobicContact CD1-CD2 3.89Å; I53-L136 HydrophobicContact CD1-CG 4.31Å; V118-L136 HydrophobicContact CG1-CD1 4.04Å; V118-L136 HydrophobicContact CG1-CD2 4.21Å; V118-L136 HydrophobicContact CG2-CD2 4.37Å; R132-L136 HydrophobicContact CG-CD1 3.99Å; R132-L136 VanDerWaalsContact O-CG 3.29Å; R132-L136 WeakPolarHBondContact O-CG 3.45Å; R132-L136 PolarHBondContact O-N 2.95Å; L133-L136 HydrophobicContact CD2-CD1 4.43Å; L133-L136 PolarHBondContact O-N 2.97Å; L136-I138 PolarHBondContact O-N 3.46Å; L136-S139 PolarHBondContact O-N 3.12Å; L136-A140 HydrophobicContact CD2-CB 4.3Å; L136-A140 CarbonylContact O-C 3.59Å; L136-A140 PolarHBondContact O-N 3.07Å; L136-M145 HydrophobicContact CB-CE 4.43Å |
| 137 | S | 73.5 | Confident | 77.7 | Confident | 76 Ų | 76 | 66.7 Ų | 66.7 | 53% | 0.531 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.1 | -27.2 | 175 | 74.6 | 0 | 0 | 0 | 0 | 113.7 | L133 K134 W135 | L133-S137 WeakPolarHBondContact O-CB 3.18Å; L133-S137 PolarHBondContact O-N 2.89Å; K134-S137 PolarHBondContact O-N 3.45Å; K134-S137 PolarHBondContact O-OG 2.89Å; W135-S137 PolarHBondContact O-N 2.85Å |
| 138 | I | 68.5 | Low | 78.3 | Confident | 88 Ų | 88 | 61.1 Ų | 61.1 | 45% | 0.451 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -79.9 | -45.4 | 171.6 | -61.7 | 167.1 | 0 | 0 | 0 | 109.7 | K134 W135 L136 | K134-I138 PolarHBondContact O-N 3.32Å; W135-I138 PolarHBondContact O-N 3.45Å; L136-I138 PolarHBondContact O-N 3.46Å |
| 139 | S | 65.8 | Low | 78.5 | Confident | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -86.7 | -43.7 | -164.6 | -50 | 0 | 0 | 0 | 0 | 114.4 | G111 V113 W135 L136 | G111-S139 VanDerWaalsContact O-CA 3.23Å; G111-S139 WeakPolarHBondContact O-CA 3.34Å; G111-S139 WeakPolarHBondContact O-CB 3.41Å; G111-S139 PolarHBondContact O-OG 3.32Å; G111-S139 VanDerWaalsContact O-OG 3.11Å; V113-S139 CarbonylContact C-O 3.54Å; V113-S139 PolarHBondContact N-O 2.88Å; W135-S139 WeakPolarHBondContact O-CB 3.43Å; W135-S139 PolarHBondContact O-N 3.12Å; W135-S139 PolarHBondContact O-OG 3.25Å; L136-S139 PolarHBondContact O-N 3.12Å |
| 140 | A | 63.2 | Low | 77.5 | Confident | 3 Ų | 3 | 61.7 Ų | 61.7 | 3% | 0.025 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -128.8 | 65.2 | -165 | 0 | 0 | 0 | 0 | 0 | 111.5 | A115 V118 L136 | A115-A140 HydrophobicContact CB-CB 4.21Å; V118-A140 HydrophobicContact CG2-CB 4.25Å; L136-A140 HydrophobicContact CD2-CB 4.3Å; L136-A140 CarbonylContact O-C 3.59Å; L136-A140 PolarHBondContact O-N 3.07Å |
| 141 | R | 63.6 | Low | 76.4 | Confident | 191 Ų | 191 | 59 Ų | 59 | 72% | 0.721 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 138.5 | -178.4 | -67.3 | -176.2 | 176 | -171 | -1.2 | 111.9 | A143 | R141-A143 PolarHBondContact O-N 3.46Š|
| 142 | N | 66.2 | Low | 74.7 | Confident | 170 Ų | 170 | 58.1 Ų | 58.1 | 91% | 0.909 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 14.6 | 175.8 | -53.1 | -14 | 0 | 0 | 0 | 116.1 | ||
| 143 | A | 77.5 | Confident | 72.5 | Confident | 8 Ų | 8 | 64.7 Ų | 64.7 | 7% | 0.066 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -66 | 143.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | A115 V118 R141 M145 | A115-A143 VanDerWaalsContact O-CB 3.27Å; A115-A143 WeakPolarHBondContact O-CB 3.4Å; V118-A143 HydrophobicContact CG2-CB 3.87Å; R141-A143 PolarHBondContact O-N 3.46Å; A143-M145 HydrophobicContact CB-CE 4.29Å |
| 144 | E | 82.9 | Confident | 70.2 | Confident | 65 Ų | 65 | 71.5 Ų | 71.5 | 30% | 0.304 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 134.8 | 163.3 | -175.9 | 172.3 | -149 | 0 | 0 | 108.9 | K13 R43 N116 L117 V118 | K13-E144 IonicContact NZ-OE1 2.9Å; K13-E144 PolarHBondContact NZ-OE1 3.39Å; R43-E144 IonicContact CZ-OE2 3.82Å; R43-E144 IonicContact NH2-OE2 2.73Å; R43-E144 PolarHBondContact NH2-OE2 3.28Å; N116-E144 PolarHBondContact O-N 3.25Å; L117-E144 WeakPolarHBondContact CA-O 3.4Å; L117-E144 HydrophobicContact CD1-CB 4.01Å; L117-E144 HydrophobicContact CD1-CG 4.17Å; V118-E144 PolarHBondContact N-O 2.97Å |
| 145 | M | 87 | Confident | 67.8 | Low | 9 Ų | 9 | 70.1 Ų | 70.1 | 4% | 0.044 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 121.1 | 177.4 | -61.5 | -72.1 | 168.2 | 0 | 0 | 109.5 | T19 T20 F21 T22 V118 L136 A143 | T19-M145 HydrophobicContact CG2-CB 4.38Å; 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 3.37Å; F21-M145 WeakPolarHBondContact CA-O 3.36Å; F21-M145 HydrophobicContact CD1-CB 3.37Å; F21-M145 HydrophobicContact CD1-CG 3.93Å; F21-M145 HydrophobicContact CE1-CB 3.58Å; F21-M145 HydrophobicContact CE1-CG 3.59Å; F21-M145 HydrophobicContact CE1-SD 4.31Å; F21-M145 HydrophobicContact CG-CB 4.05Å; F21-M145 HydrophobicContact CZ-CB 4.41Å; F21-M145 HydrophobicContact CZ-CG 4.07Å; T22-M145 PolarHBondContact N-O 2.88Å; V118-M145 HydrophobicContact CB-CE 4.42Å; V118-M145 HydrophobicContact CB-SD 3.72Å; V118-M145 HydrophobicContact CG1-SD 4.11Å; V118-M145 HydrophobicContact CG2-CE 4.37Å; V118-M145 HydrophobicContact CG2-SD 4.32Å; L136-M145 HydrophobicContact CB-CE 4.43Å; A143-M145 HydrophobicContact CB-CE 4.29Å |
| 146 | L | 88.6 | Confident | 65.6 | Low | 14 Ų | 14 | 74 Ų | 74 | 7% | 0.073 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 129.1 | 172 | 178.6 | 63 | 0 | 0 | 0 | 108.9 | T22 A24 F35 T39 L117 V118 I119 H120 | T22-L146 HydrophobicContact CG2-CD1 4.17Å; T22-L146 CarbonylContact O-C 3.58Å; T22-L146 WeakPolarHBondContact O-CA 3.44Å; A24-L146 HydrophobicContact CB-CD1 4.21Å; F35-L146 HydrophobicContact CE1-CD1 4.4Å; F35-L146 HydrophobicContact CE1-CD2 4.21Å; T39-L146 HydrophobicContact CG2-CD2 4.14Å; L117-L146 HydrophobicContact CD1-CB 4.12Å; V118-L146 PolarHBondContact O-N 3.12Å; I119-L146 CarbonylContact C-O 3.53Å; I119-L146 VanDerWaalsContact CA-O 3.31Å; I119-L146 WeakPolarHBondContact CA-O 3.42Å; I119-L146 HydrophobicContact CD1-CD2 4.22Å; I119-L146 HydrophobicContact CG1-CB 4.28Å; I119-L146 HydrophobicContact CG1-CD2 4.18Å; I119-L146 HydrophobicContact CG2-CB 4.27Å; I119-L146 HydrophobicContact CG2-CD2 4Å; I119-L146 HydrophobicContact CG2-CG 4.11Å; H120-L146 PolarHBondContact N-O 3.2Å |
| 147 | V | 88.6 | Confident | 63.3 | Low | 0 Ų | 0 | 83.2 Ų | 83.2 | 0% | 0 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 125.3 | 179.8 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | F21 T22 Y23 A24 H120 L123 | F21-V147 HydrophobicContact CD1-CG2 4.1Å; T22-V147 PolarHBondContact O-N 3.44Å; Y23-V147 CarbonylContact C-O 3.54Å; Y23-V147 WeakPolarHBondContact CA-O 3.35Å; Y23-V147 HydrophobicContact CD1-CB 3.74Å; Y23-V147 HydrophobicContact CD1-CG1 3.67Å; Y23-V147 HydrophobicContact CD1-CG2 4.43Å; Y23-V147 HydrophobicContact CE1-CB 3.87Å; Y23-V147 HydrophobicContact CE1-CG1 3.63Å; Y23-V147 HydrophobicContact CE1-CG2 4.13Å; Y23-V147 HydrophobicContact CG-CB 4.27Å; A24-V147 PolarHBondContact N-O 2.84Å; H120-V147 HydrophobicContact CB-CG1 4.44Å; H120-V147 HydrophobicContact CB-CG2 4.26Å; L123-V147 HydrophobicContact CD1-CG1 3.7Å; L123-V147 HydrophobicContact CD2-CG1 3.7Å; L123-V147 HydrophobicContact CG-CG1 3.82Å |
| 148 | I | 88 | Confident | 61.4 | Low | 6 Ų | 6 | 88.8 Ų | 88.8 | 3% | 0.031 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 121.6 | 173.1 | -64.4 | 175.9 | 0 | 0 | 0 | 108.1 | A24 P26 F35 L36 I119 H120 | A24-I148 WeakPolarHBondContact O-CA 3.25Å; P26-I148 HydrophobicContact CG-CG2 4.11Å; F35-I148 HydrophobicContact CD1-CD1 4.12Å; F35-I148 HydrophobicContact CD1-CG1 4.49Å; F35-I148 HydrophobicContact CE1-CD1 4.42Å; F35-I148 HydrophobicContact CE1-CG1 4.45Å; L36-I148 HydrophobicContact CD1-CD1 3.79Å; L36-I148 HydrophobicContact CD2-CD1 3.49Å; L36-I148 VanDerWaalsContact CD2-CD1 3.49Å; L36-I148 HydrophobicContact CG-CD1 3.39Å; I119-I148 HydrophobicContact CG2-CD1 4.28Å; H120-I148 PolarHBondContact O-N 2.94Å |
| 149 | T | 79.6 | Confident | 59.4 | Low | 30 Ų | 30 | 88.1 Ų | 88.1 | 18% | 0.184 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -81 | 144.8 | 172.1 | 48.5 | 0 | 0 | 0 | 0 | 109.9 | Y23 A24 S25 L123 | Y23-T149 HydrophobicContact CD1-CG2 4.41Å; A24-T149 PolarHBondContact O-N 3.03Å; A24-T149 VanDerWaalsContact O-N 3.09Å; A24-T149 PolarHBondContact O-OG1 3.39Å; S25-T149 VanDerWaalsContact CA-OG1 3.26Å; S25-T149 WeakPolarHBondContact CA-OG1 3.4Å; S25-T149 WeakPolarHBondContact CB-OG1 3.38Å; S25-T149 PolarHBondContact OG-OG1 3.11Å; L123-T149 HydrophobicContact CD1-CG2 4.28Å |
| 150 | P | 62 | Low | 57.8 | Low | 90 Ų | 90 | 98.8 Ų | 98.8 | 58% | 0.584 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 160.2 | 167.9 | 30.7 | -34.5 | 0 | 0 | 0 | 110.5 | ||
| 151 | C | 57 | Low | 56.1 | Low | 60 Ų | 60 | 102.2 Ų | 102.2 | 41% | 0.405 | 53% | 0.534 | S | S | . | . | trans | -117.9 | 110.5 | 172 | -165.9 | 0 | 0 | 0 | 0 | 107.6 | E153 | C151-E153 PolarHBondContact O-N 2.74Š| ||
| 152 | D | 43.6 | Very low | 54.6 | Low | 102 Ų | 102 | 102 Ų | 102 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | trans | -84.8 | 70.3 | -163.7 | -62.5 | -23.2 | 0 | 0 | 0 | 112.7 | E154 N155 | D152-E154 PolarHBondContact O-N 3.21Å; D152-N155 PolarHBondContact O-N 3.08Å | ||
| 153 | E | 41.8 | Very low | 52.6 | Low | 141 Ų | 141 | 100.3 Ų | 100.3 | 66% | 0.659 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -7.5 | 176.5 | -68.7 | 179.8 | -153.7 | 0 | 0 | 114 | S28 C151 | S28-E153 VanDerWaalsContact CB-OE1 3.29Å; S28-E153 WeakPolarHBondContact CB-OE1 3.14Å; C151-E153 PolarHBondContact O-N 2.74Å |
| 154 | E | 35.2 | Very low | 50.4 | Low | 186 Ų | 186 | 109 Ų | 109 | 87% | 0.869 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -14.8 | -179.4 | -61.5 | -163 | 138.6 | 0 | 0 | 114.6 | D152 | D152-E154 PolarHBondContact O-N 3.21Š|
| 155 | N | 30.2 | Very low | 47.9 | Very low | 123 Ų | 123 | 110.8 Ų | 110.8 | 66% | 0.658 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -92.1 | -14.7 | -174.1 | -79.5 | -37.8 | 0 | 0 | 0 | 115.6 | D152 K157 | D152-N155 PolarHBondContact O-N 3.08Å; N155-K157 PolarHBondContact O-N 3.34Å |
| 156 | E | 33.4 | Very low | 44.8 | Very low | 186 Ų | 186 | 118.8 Ų | 118.8 | 87% | 0.869 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 15.2 | -177.2 | -68.1 | -161 | 147.1 | 0 | 0 | 115.3 | ||
| 157 | K | 33.9 | Very low | 42 | Very low | 196 Ų | 196 | 126.3 Ų | 126.3 | 85% | 0.852 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | -5.9 | -177.8 | -78.4 | 179 | -179.6 | 163.6 | 0 | 116.1 | N155 | N155-K157 PolarHBondContact O-N 3.34Š|
| 158 | E | 32.4 | Very low | 38.9 | Very low | 193 Ų | 193 | 131.5 Ų | 131.5 | 90% | 0.902 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -128.3 | 85.5 | 171.5 | -65.9 | -161.6 | 151.5 | 0 | 0 | 111.3 | ||
| 159 | G | 27.8 | Very low | 36.1 | Very low | 75 Ų | 75 | 140 Ų | 140 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | 168.9 | 68.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 160 | K | 31.1 | Very low | 33.4 | Very low | 227 Ų | 227 | 147.5 Ų | 147.5 | 99% | 0.987 | 77% | 0.773 | S | S | * | * | trans | -89 | 108.2 | 159.6 | -84.1 | -167.8 | 174.2 | -172.2 | 0 | 109.7 | ||||
| 161 | G | 28 | Very low | 31.5 | Very low | 75 Ų | 75 | 154.3 Ų | 154.3 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -162.1 | 131.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 162 | E | 31.6 | Very low | 29.9 | Very low | 187 Ų | 187 | 159.4 Ų | 159.4 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -86.4 | 145.8 | -177.6 | -61 | 170.5 | 130.8 | 0 | 0 | 111.4 | ||||
| 163 | T | 25.5 | Very low | 29.4 | Very low | 134 Ų | 134 | 159.2 Ų | 159.2 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | 137.3 | 126.6 | 141.9 | 51.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 164 | E | 30.3 | Very low | 28.5 | Very low | 190 Ų | 190 | 159.8 Ų | 159.8 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | trans | -69.5 | 141.9 | 144.5 | -63.7 | -174.8 | 127.4 | 0 | 0 | 107.1 | ||||
| 165 | P | 30.5 | Very low | 27.8 | Very low | 103 Ų | 103 | 158.9 Ų | 158.9 | 67% | 0.669 | 81% | 0.811 | S | S | * | * | -151.4 | 163.3 | 92.8 | 39.5 | -22.6 | 0 | 0 | 0 | 117.5 | |||||
| 166 | E | 21.8 | Very low | 27.4 | Very low | 177 Ų | 177 | 158 Ų | 158 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | 72.3 | 141.5 | 142 | -79.6 | 177.3 | 176.6 | 0 | 0 | 123.1 | ||||
| 167 | I | 30.4 | Very low | 26.9 | Very low | 171 Ų | 171 | 156 Ų | 156 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | -87 | 115.6 | 173.7 | -61.1 | 165.1 | 0 | 0 | 0 | 108.4 | ||||
| 168 | V | 23 | Very low | 26.5 | Very low | 110 Ų | 110 | 150.4 Ų | 150.4 | 67% | 0.667 | 80% | 0.796 | S | S | * | * | trans | -121.6 | 122.1 | 169.2 | -179.4 | 0 | 0 | 0 | 0 | 110.4 | Q170 | V168-Q170 HydrophobicContact CG1-CG 4.43Å; V168-Q170 PolarHBondContact O-N 3.43Å | ||
| 169 | Q | 28.4 | Very low | 26 | Very low | 185 Ų | 185 | 149.4 Ų | 149.4 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -71.2 | 121.8 | 168.7 | -64.9 | 176.6 | -8.8 | 0 | 0 | 109.6 | ||||
| 170 | Q | 23.8 | Very low | 25.9 | Very low | 187 Ų | 187 | 153.1 Ų | 153.1 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -123.6 | 130.9 | 154.7 | -70.9 | -162.5 | -4.8 | 0 | 0 | 110.3 | V168 | V168-Q170 HydrophobicContact CG1-CG 4.43Å; V168-Q170 PolarHBondContact O-N 3.43Å | ||
| 171 | R | 22.7 | Very low | 25.7 | Very low | 233 Ų | 233 | 147.3 Ų | 147.3 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -143.3 | 154.9 | -173.4 | -164.9 | -174.9 | -167.9 | -170.2 | 5.4 | 107.1 | ||||
| 172 | M | 22.6 | Very low | 25.5 | Very low | 166 Ų | 166 | 151.1 Ų | 151.1 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | 77.3 | 160.9 | 174.7 | -50.5 | -179.2 | 58.6 | 0 | 0 | 114.9 | ||||
| 173 | P | 34 | Very low | 25.2 | Very low | 98 Ų | 98 | 150 Ų | 150 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | -140.3 | -172 | -51.9 | 40.3 | -25.5 | 0 | 0 | 0 | 112.1 | |||||
| 174 | L | 21.4 | Very low | 25 | Very low | 153 Ų | 153 | 148.7 Ų | 148.7 | 80% | 0.801 | 77% | 0.768 | S | S | * | * | trans | 143.7 | 142.8 | 142.8 | -77.5 | 164.2 | 0 | 0 | 0 | 109.8 | ||||
| 175 | K | 20.7 | Very low | 24.7 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 73% | 0.726 | 76% | 0.761 | S | S | * | * | cis | -168.9 | 143.9 | -36.5 | -124 | -163.3 | -178.9 | -176 | 0 | 107.5 | ||||
| 176 | V | 22 | Very low | 24.4 | Very low | 104 Ų | 104 | 150.8 Ų | 150.8 | 63% | 0.63 | 76% | 0.762 | S | S | * | * | 37.3 | 135 | 116.2 | 163.1 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 177 | D | 22.9 | Very low | 24.6 | Very low | 144 Ų | 144 | 148.9 Ų | 148.9 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | cis | -174 | -178.8 | -2.1 | -101.4 | -8.1 | 0 | 0 | 0 | 106.6 | ||||
| 178 | A | 24.7 | Very low | 24.3 | Very low | 79 Ų | 79 | 147.4 Ų | 147.4 | 65% | 0.653 | 74% | 0.743 | S | S | * | * | cis | 176.4 | 163.4 | -34.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 179 | L | 23.1 | Very low | 24.4 | Very low | 172 Ų | 172 | 148.3 Ų | 148.3 | 90% | 0.901 | 74% | 0.74 | S | S | * | * | trans | -151.1 | 145.9 | 165.9 | -140.4 | 76.1 | 0 | 0 | 0 | 114.4 | ||||
| 180 | N | 26.3 | Very low | 24.3 | Very low | 153 Ų | 153 | 145.1 Ų | 145.1 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | -87.4 | -176 | 177.1 | -53.2 | -67.8 | 0 | 0 | 0 | 110.7 | ||||
| 181 | S | 26.6 | Very low | 24.4 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | cis | -156.3 | 179.8 | 14.7 | 49.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 182 | M | 22.7 | Very low | 25.4 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 76% | 0.759 | 72% | 0.718 | S | S | * | * | cis | -138.8 | 143.1 | 17.5 | -75.1 | 172.6 | 55.2 | 0 | 0 | 108.7 | ||||
| 183 | Q | 24.9 | Very low | 26.7 | Very low | 165 Ų | 165 | 133.9 Ų | 133.9 | 77% | 0.771 | 71% | 0.713 | S | S | * | * | 53.6 | 136.1 | 79.9 | -73.5 | -164.7 | -26.6 | 0 | 0 | 116.8 | |||||
| 184 | L | 22.2 | Very low | 26.3 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 56% | 0.555 | 72% | 0.717 | S | S | * | * | cis | -169 | -178.2 | -23.6 | -149.2 | 113.9 | 0 | 0 | 0 | 110.8 | ||||
| 185 | Y | 24.5 | Very low | 26.6 | Very low | 190 Ų | 190 | 132.7 Ų | 132.7 | 75% | 0.745 | 71% | 0.714 | S | S | * | * | trans | 76.5 | 125.4 | 173 | -58 | -76.8 | 0 | 0 | 0 | 116 | ||||
| 186 | E | 24.2 | Very low | 26.8 | Very low | 147 Ų | 147 | 128.7 Ų | 128.7 | 69% | 0.687 | 71% | 0.707 | S | S | * | * | cis | 75.4 | 148.7 | 42 | -58.3 | 178.5 | 178.2 | 0 | 0 | 112.5 | ||||
| 187 | I | 25.5 | Very low | 27.2 | Very low | 136 Ų | 136 | 132.2 Ų | 132.2 | 70% | 0.697 | 72% | 0.717 | S | S | * | * | cis | -157.7 | -179.1 | 14.6 | -135 | 169.4 | 0 | 0 | 0 | 108.9 | ||||
| 188 | K | 24.1 | Very low | 27.4 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 61% | 0.609 | 71% | 0.708 | S | S | * | * | cis | -156.5 | 141.7 | 8.5 | -135.6 | -171.7 | -165 | -102.5 | 0 | 111.2 | ||||
| 189 | E | 25.6 | Very low | 27.5 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 60% | 0.603 | 71% | 0.711 | S | S | * | * | 58.9 | 143.4 | 127.5 | -86.4 | 179.2 | -166 | 0 | 0 | 128 | |||||
| 190 | N | 25.3 | Very low | 27.7 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | trans | 82.1 | 94.2 | 135.9 | -64.2 | -12 | 0 | 0 | 0 | 124.1 | ||||
| 191 | T | 26.1 | Very low | 27.7 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | 57.5 | 156 | 115.3 | 35.8 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 192 | P | 44 | Very low | 27.7 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 72% | 0.721 | 71% | 0.708 | S | S | * | * | trans | -103.5 | -156.1 | -165.8 | 46.8 | -40.5 | 0 | 0 | 0 | 112.7 | ||||
| 193 | P | 50.5 | Low | 27.8 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | cis | -143.2 | -133.3 | 5.5 | 42.7 | -18.2 | 0 | 0 | 0 | 115.4 | ||||
| 194 | T | 24.9 | Very low | 27.9 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 73% | 0.73 | 71% | 0.713 | S | S | * | * | trans | 72 | 115.4 | 173.7 | 34.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 195 | S | 27.7 | Very low | 28.2 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | 88.4 | 155.1 | 78.5 | 84.3 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 196 | S | 26.1 | Very low | 28.2 | Very low | 83 Ų | 83 | 131.5 Ų | 131.5 | 58% | 0.58 | 72% | 0.721 | S | S | * | * | cis | -163.2 | 169.7 | -2.5 | 35.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 197 | E | 28.6 | Very low | 28.3 | Very low | 179 Ų | 179 | 131.4 Ų | 131.4 | 84% | 0.836 | 72% | 0.724 | S | S | * | * | trans | 58.5 | 152.6 | 141.9 | -77.5 | 156.1 | -156.6 | 0 | 0 | 121.1 | ||||
| 198 | D | 28.3 | Very low | 28.3 | Very low | 107 Ų | 107 | 130 Ų | 130 | 57% | 0.572 | 73% | 0.727 | S | S | * | * | cis | -170.8 | -179.8 | -15.3 | -161.9 | -5.2 | 0 | 0 | 0 | 109.3 | ||||
| 199 | Y | 26.2 | Very low | 28.3 | Very low | 186 Ų | 186 | 127.8 Ų | 127.8 | 73% | 0.729 | 73% | 0.734 | S | S | * | * | trans | 64.3 | 122.1 | 167.3 | -58.5 | -66.2 | 0 | 0 | 0 | 118.9 | ||||
| 200 | K | 27.2 | Very low | 28.2 | Very low | 173 Ų | 173 | 126.5 Ų | 126.5 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | 81.3 | 123 | 59.2 | -82.9 | -154.7 | 177.1 | -162.2 | 0 | 116.3 | |||||
| 201 | A | 25.7 | Very low | 28.1 | Very low | 102 Ų | 102 | 127.4 Ų | 127.4 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | trans | -161.7 | 152.3 | 139.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 202 | E | 27 | Very low | 28.6 | Very low | 172 Ų | 172 | 126.6 Ų | 126.6 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -124.9 | 152 | -174.6 | -66 | 154.2 | 122.2 | 0 | 0 | 111.3 | ||||
| 203 | A | 25.2 | Very low | 27.6 | Very low | 98 Ų | 98 | 125.5 Ų | 125.5 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | -171.3 | 82.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 204 | D | 27.6 | Very low | 26.4 | Very low | 154 Ų | 154 | 126.7 Ų | 126.7 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | 22.3 | 142.8 | 102 | -102.9 | 17.7 | 0 | 0 | 0 | 118.8 | |||||
| 205 | V | 27.6 | Very low | 26.4 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | cis | -160.5 | 175.9 | 11.5 | -157.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 206 | L | 25.7 | Very low | 26.3 | Very low | 149 Ų | 149 | 128.8 Ų | 128.8 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | trans | 84.2 | 147.5 | 153.9 | -61.5 | 173.3 | 0 | 0 | 0 | 120.1 | ||||
| 207 | L | 25.4 | Very low | 26.3 | Very low | 144 Ų | 144 | 131.6 Ų | 131.6 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | cis | -169.7 | 162.7 | -35.7 | -133 | -171.4 | 0 | 0 | 0 | 109.9 | ||||
| 208 | S | 24.9 | Very low | 26.1 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | 73.7 | 155.4 | 155.8 | 79.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 209 | A | 24.6 | Very low | 26 | Very low | 92 Ų | 92 | 132.5 Ų | 132.5 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | cis | -168.9 | 163.9 | -27.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 210 | A | 24.3 | Very low | 25.9 | Very low | 102 Ų | 102 | 133.1 Ų | 133.1 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | 70.4 | 123.3 | 151.4 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 211 | T | 22.5 | Very low | 25.9 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | trans | -81.2 | -170.5 | 156 | 33.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 212 | P | 36.7 | Very low | 25.8 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | cis | -141.8 | -178.3 | 6.3 | 43.6 | -24.1 | 0 | 0 | 0 | 118.4 | ||||
| 213 | A | 23.1 | Very low | 25.8 | Very low | 89 Ų | 89 | 138.6 Ų | 138.6 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | trans | 71.1 | 136.4 | 141.1 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 214 | T | 24.3 | Very low | 25.6 | Very low | 133 Ų | 133 | 140.2 Ų | 140.2 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | -162.7 | 145.6 | 115.2 | -73.2 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 215 | I | 26.5 | Very low | 25.6 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | -114.4 | 139.7 | 175.5 | -64.2 | 168.1 | 0 | 0 | 0 | 109 | ||||
| 216 | P | 25.5 | Very low | 25.4 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -112.5 | 128.2 | 143.6 | -4 | 24.5 | 0 | 0 | 0 | 111.3 | ||||
| 217 | N | 25.2 | Very low | 25.5 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | -71.3 | 145.8 | 157.6 | -101.2 | -16.8 | 0 | 0 | 0 | 108.6 | ||||
| 218 | D | 25 | Very low | 26 | Very low | 159 Ų | 159 | 135.5 Ų | 135.5 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | trans | -151.6 | 126.7 | 144 | -134.5 | -17.5 | 0 | 0 | 0 | 111.3 | ||||
| 219 | N | 25.5 | Very low | 26.7 | Very low | 147 Ų | 147 | 135.9 Ų | 135.9 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | -96.5 | 118.4 | -177.9 | -86.2 | -26.8 | 0 | 0 | 0 | 110.1 | ||||
| 220 | K | 24.8 | Very low | 27 | Very low | 199 Ų | 199 | 134.9 Ų | 134.9 | 87% | 0.865 | 74% | 0.744 | S | S | * | * | trans | -135.2 | 120.9 | 154.7 | -75.8 | -169.2 | 177.4 | 170.7 | 0 | 111.3 | ||||
| 221 | E | 27 | Very low | 27.4 | Very low | 196 Ų | 196 | 132.6 Ų | 132.6 | 92% | 0.916 | 73% | 0.726 | S | S | * | * | trans | -70.9 | 134.2 | 174.6 | -60.3 | 172.3 | 123.3 | 0 | 0 | 110.1 | ||||
| 222 | Q | 22.7 | Very low | 27.9 | Very low | 178 Ų | 178 | 129.2 Ų | 129.2 | 83% | 0.832 | 71% | 0.705 | S | S | * | * | trans | -133.9 | 125.9 | 158.5 | -75.8 | -167.1 | -26.9 | 0 | 0 | 108.6 | I224 | Q222-I224 PolarHBondContact O-N 3.05Š| ||
| 223 | E | 27 | Very low | 27.9 | Very low | 187 Ų | 187 | 127.9 Ų | 127.9 | 87% | 0.874 | 70% | 0.695 | S | S | * | * | trans | -70.3 | 113.5 | 179.4 | -64.5 | -173.7 | 110.9 | 0 | 0 | 110.8 | ||||
| 224 | I | 22.3 | Very low | 28.2 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 68% | 0.677 | 69% | 0.686 | S | S | * | * | trans | -111.8 | 101.3 | 170.3 | -49.5 | -177 | 0 | 0 | 0 | 108.7 | Q222 L226 | Q222-I224 PolarHBondContact O-N 3.05Å; I224-L226 VanDerWaalsContact C-N 3.28Å; I224-L226 HydrophobicContact CG2-CD1 4.12Å; I224-L226 HydrophobicContact CG2-CG 3.92Å; I224-L226 PolarHBondContact O-N 2.94Å | ||
| 225 | N | 26 | Very low | 28.7 | Very low | 158 Ų | 158 | 127.9 Ų | 127.9 | 85% | 0.845 | 67% | 0.671 | S | S | * | * | trans | -73.1 | 78.1 | 175.1 | -86.4 | -71.9 | 0 | 0 | 0 | 111.3 | ||||
| 226 | L | 24.8 | Very low | 29 | Very low | 143 Ų | 143 | 127.9 Ų | 127.9 | 75% | 0.749 | 67% | 0.672 | S | S | * | * | trans | -79.9 | 114.2 | 172.8 | -81.4 | 159.8 | 0 | 0 | 0 | 111 | I224 V228 | I224-L226 VanDerWaalsContact C-N 3.28Å; I224-L226 HydrophobicContact CG2-CD1 4.12Å; I224-L226 HydrophobicContact CG2-CG 3.92Å; I224-L226 PolarHBondContact O-N 2.94Å; L226-V228 PolarHBondContact O-N 3.41Å | ||
| 227 | S | 26.8 | Very low | 29.1 | Very low | 74 Ų | 74 | 125.6 Ų | 125.6 | 52% | 0.517 | 66% | 0.663 | S | S | . | * | trans | -72.3 | 124.6 | 168.7 | -174.6 | 0 | 0 | 0 | 0 | 110.2 | E229 D230 | S227-E229 PolarHBondContact O-N 3.33Å; S227-E229 VanDerWaalsContact O-N 3.15Å; S227-D230 PolarHBondContact O-N 2.7Å | ||
| 228 | V | 37.1 | Very low | 29.2 | Very low | 86 Ų | 86 | 122.5 Ų | 122.5 | 52% | 0.521 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.7 | -16.3 | -179.2 | -177.8 | 0 | 0 | 0 | 0 | 112.3 | L226 D230 A231 | L226-V228 PolarHBondContact O-N 3.41Å; V228-D230 PolarHBondContact O-N 3.41Å; V228-A231 PolarHBondContact O-N 3.16Å |
| 229 | E | 38.3 | Very low | 29.4 | Very low | 117 Ų | 117 | 123 Ų | 123 | 55% | 0.547 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -64.3 | -23.7 | -179.7 | -60.4 | -176 | 146.5 | 0 | 0 | 113.2 | S227 V233 | S227-E229 PolarHBondContact O-N 3.33Å; S227-E229 VanDerWaalsContact O-N 3.15Å; E229-V233 WeakPolarHBondContact O-CG2 3.5Å |
| 230 | D | 32.6 | Very low | 29.5 | Very low | 70 Ų | 70 | 124.5 Ų | 124.5 | 37% | 0.374 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -77 | -26.7 | -177.2 | -158.6 | 54.2 | 0 | 0 | 0 | 112.9 | S227 V228 K234 | S227-D230 PolarHBondContact O-N 2.7Å; V228-D230 PolarHBondContact O-N 3.41Å; D230-K234 WeakPolarHBondContact O-CB 3.42Å; D230-K234 WeakPolarHBondContact O-CD 3.31Å; D230-K234 VanDerWaalsContact O-CG 3.32Å; D230-K234 WeakPolarHBondContact O-CG 3.35Å; D230-K234 PolarHBondContact O-N 3.29Å; D230-K234 IonicContact OD1-NZ 2.93Å; D230-K234 WeakPolarHBondContact OD2-CE 3.39Å; D230-K234 IonicContact OD2-NZ 3.18Å; D230-K234 PolarHBondContact OD2-NZ 3.01Å |
| 231 | A | 31.1 | Very low | 29.6 | Very low | 55 Ų | 55 | 122.5 Ų | 122.5 | 46% | 0.455 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -77.8 | -41.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V228 L235 | V228-A231 PolarHBondContact O-N 3.16Å; A231-L235 PolarHBondContact O-N 2.86Å |
| 232 | T | 34 | Very low | 29.3 | Very low | 67 Ų | 67 | 117.2 Ų | 117.2 | 41% | 0.411 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -74.2 | -28.8 | 178.8 | 32.7 | 0 | 0 | 0 | 0 | 113 | I887 | T232-I887 HydrophobicContact CG2-CD1 3.91Å |
| 233 | V | 35.9 | Very low | 29.4 | Very low | 86 Ų | 86 | 113.9 Ų | 113.9 | 52% | 0.521 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -71.9 | -44 | 173.1 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | E229 L235 L236 A237 | E229-V233 WeakPolarHBondContact O-CG2 3.5Å; V233-L235 VanDerWaalsContact C-N 3.32Å; V233-L235 PolarHBondContact O-N 3.04Å; V233-L236 PolarHBondContact O-N 2.82Å; V233-A237 PolarHBondContact O-N 3.38Å |
| 234 | K | 30.6 | Very low | 29.2 | Very low | 125 Ų | 125 | 110.5 Ų | 110.5 | 54% | 0.543 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -62.8 | -36.1 | 177.7 | -77.2 | 171.7 | 177.9 | 169.7 | 0 | 113 | D230 L236 A237 S238 | D230-K234 WeakPolarHBondContact O-CB 3.42Å; D230-K234 WeakPolarHBondContact O-CD 3.31Å; D230-K234 VanDerWaalsContact O-CG 3.32Å; D230-K234 WeakPolarHBondContact O-CG 3.35Å; D230-K234 PolarHBondContact O-N 3.29Å; D230-K234 IonicContact OD1-NZ 2.93Å; D230-K234 WeakPolarHBondContact OD2-CE 3.39Å; D230-K234 IonicContact OD2-NZ 3.18Å; D230-K234 PolarHBondContact OD2-NZ 3.01Å; K234-L236 VanDerWaalsContact C-N 3.28Å; K234-L236 PolarHBondContact O-N 2.9Å; K234-A237 PolarHBondContact O-N 3.3Å; K234-A237 VanDerWaalsContact O-N 3.08Å; K234-S238 PolarHBondContact O-N 3.45Å; K234-S238 PolarHBondContact O-OG 3.06Å |
| 235 | L | 33.7 | Very low | 29.3 | Very low | 96 Ų | 96 | 111.4 Ų | 111.4 | 50% | 0.503 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -62.2 | -30.8 | 176.4 | -106 | 165.3 | 0 | 0 | 0 | 113.9 | A231 V233 S238 F239 | A231-L235 PolarHBondContact O-N 2.86Å; V233-L235 VanDerWaalsContact C-N 3.32Å; V233-L235 PolarHBondContact O-N 3.04Å; L235-S238 WeakPolarHBondContact CA-OG 3.49Å; L235-S238 PolarHBondContact O-OG 2.9Å; L235-F239 HydrophobicContact CD2-CE2 4.12Å; L235-F239 VanDerWaalsContact O-CD2 3.27Å; L235-F239 WeakPolarHBondContact O-CD2 3.1Å |
| 236 | L | 32.2 | Very low | 29.2 | Very low | 149 Ų | 149 | 109.6 Ų | 109.6 | 78% | 0.78 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -77.6 | -22.6 | 174.8 | -72.5 | 170.3 | 0 | 0 | 0 | 112.9 | V233 K234 | V233-L236 PolarHBondContact O-N 2.82Å; K234-L236 VanDerWaalsContact C-N 3.28Å; K234-L236 PolarHBondContact O-N 2.9Å |
| 237 | A | 29.1 | Very low | 29.2 | Very low | 73 Ų | 73 | 107.4 Ų | 107.4 | 60% | 0.603 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -84.1 | -30.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | V233 K234 F239 E240 | V233-A237 PolarHBondContact O-N 3.38Å; K234-A237 PolarHBondContact O-N 3.3Å; K234-A237 VanDerWaalsContact O-N 3.08Å; A237-F239 VanDerWaalsContact C-N 3.26Å; A237-F239 PolarHBondContact O-N 2.95Å; A237-E240 PolarHBondContact O-N 3.08Å |
| 238 | S | 27.6 | Very low | 28.9 | Very low | 76 Ų | 76 | 108.5 Ų | 108.5 | 53% | 0.531 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.8 | 2.5 | -174.3 | 59.4 | 0 | 0 | 0 | 0 | 115.8 | K234 L235 | K234-S238 PolarHBondContact O-N 3.45Å; K234-S238 PolarHBondContact O-OG 3.06Å; L235-S238 WeakPolarHBondContact CA-OG 3.49Å; L235-S238 PolarHBondContact O-OG 2.9Å |
| 239 | F | 28.7 | Very low | 28.4 | Very low | 170 Ų | 170 | 110.6 Ų | 110.6 | 75% | 0.746 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | -5.4 | 174 | -80.9 | -70.9 | 0 | 0 | 0 | 114.2 | L235 A237 | L235-F239 HydrophobicContact CD2-CE2 4.12Å; L235-F239 VanDerWaalsContact O-CD2 3.27Å; L235-F239 WeakPolarHBondContact O-CD2 3.1Å; A237-F239 VanDerWaalsContact C-N 3.26Å; A237-F239 PolarHBondContact O-N 2.95Å |
| 240 | E | 27.9 | Very low | 27.7 | Very low | 178 Ų | 178 | 112.4 Ų | 112.4 | 83% | 0.832 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -117.5 | 47 | 177.2 | -69 | -164.6 | 148.4 | 0 | 0 | 113.3 | A237 | A237-E240 PolarHBondContact O-N 3.08Š|
| 241 | L | 25.7 | Very low | 27.3 | Very low | 157 Ų | 157 | 118 Ų | 118 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | trans | -160 | 121.2 | 163.1 | -111.6 | 156.3 | 0 | 0 | 0 | 111.8 | ||||
| 242 | G | 22.1 | Very low | 26.9 | Very low | 85 Ų | 85 | 121.6 Ų | 121.6 | 88% | 0.876 | 73% | 0.728 | S | S | * | * | trans | -161.5 | 52.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 243 | S | 23.4 | Very low | 26.4 | Very low | 107 Ų | 107 | 123.8 Ų | 123.8 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | -165.1 | 122.1 | 164.7 | -174.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 244 | T | 24 | Very low | 26.7 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | trans | -138.1 | 173.2 | 168.1 | 60.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 245 | D | 24.7 | Very low | 26.3 | Very low | 150 Ų | 150 | 124.8 Ų | 124.8 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | 76 | 130.8 | 175.8 | -44.6 | 0.7 | 0 | 0 | 0 | 112.8 | ||||
| 246 | S | 23.8 | Very low | 25.7 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | cis | -155.8 | 176.4 | -9.5 | 60.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 247 | A | 23.3 | Very low | 25.3 | Very low | 98 Ų | 98 | 123 Ų | 123 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | cis | -148.6 | -178 | 7.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 248 | A | 22 | Very low | 25 | Very low | 96 Ų | 96 | 128.1 Ų | 128.1 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | trans | -119.7 | 141.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 249 | V | 25.4 | Very low | 24.7 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 79% | 0.788 | 81% | 0.814 | S | S | * | * | trans | -152.9 | 126.1 | 158.9 | 165.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 250 | D | 22.9 | Very low | 24.5 | Very low | 156 Ų | 156 | 131 Ų | 131 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | trans | 54.3 | 154.4 | 151.3 | -60.9 | -8.8 | 0 | 0 | 0 | 125.9 | ||||
| 251 | E | 24.4 | Very low | 24.2 | Very low | 188 Ų | 188 | 126.7 Ų | 126.7 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | -93.7 | 153.5 | -178.7 | -47.3 | 174.3 | 121.3 | 0 | 0 | 111.9 | ||||
| 252 | S | 23.6 | Very low | 24.2 | Very low | 130 Ų | 130 | 124.9 Ų | 124.9 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | 179.9 | 167.3 | 136.6 | 38.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 253 | S | 23.1 | Very low | 24.3 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -149.6 | -178.8 | -171.5 | -155 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 254 | P | 41.7 | Very low | 24.3 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | -121.2 | 167.7 | -67.3 | 35.6 | -23.5 | 0 | 0 | 0 | 112.6 | |||||
| 255 | A | 22.2 | Very low | 24.3 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -157.6 | 163.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 256 | A | 22.9 | Very low | 24.7 | Very low | 105 Ų | 105 | 129.7 Ų | 129.7 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | trans | -127.1 | 149.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 257 | A | 23.1 | Very low | 24.7 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | -155.5 | 157.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 258 | K | 22.6 | Very low | 24.7 | Very low | 179 Ų | 179 | 134.8 Ų | 134.8 | 78% | 0.778 | 80% | 0.802 | S | S | * | * | trans | -76.3 | 173.1 | 176.4 | -55 | 161.1 | -175.9 | 171 | 0 | 109.2 | ||||
| 259 | F | 22.2 | Very low | 24.8 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | cis | -175.8 | 161.5 | 45.4 | -121.8 | -56.1 | 0 | 0 | 0 | 112.8 | ||||
| 260 | N | 22.6 | Very low | 24.8 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | 71.1 | 146 | 148.8 | -72.4 | -20.9 | 0 | 0 | 0 | 122.3 | ||||
| 261 | A | 22.7 | Very low | 25.1 | Very low | 86 Ų | 86 | 138.8 Ų | 138.8 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | -129.4 | 169.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 262 | P | 26.1 | Very low | 25.4 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -125.3 | 133.6 | 132.4 | 33.3 | -24 | 0 | 0 | 0 | 110 | ||||
| 263 | V | 23.4 | Very low | 25.6 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | 65 | 107.9 | 63.9 | 179 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 264 | Y | 23.6 | Very low | 26.1 | Very low | 230 Ų | 230 | 139.5 Ų | 139.5 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | trans | -162.6 | 144.1 | 133.2 | -108.7 | -70.3 | 0 | 0 | 0 | 111.6 | ||||
| 265 | S | 24.3 | Very low | 25.6 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | -146 | 150.3 | 169.5 | 59.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 266 | P | 32.8 | Very low | 26 | Very low | 105 Ų | 105 | 140.3 Ų | 140.3 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | -142.4 | -171.4 | 91.1 | 24.2 | 0.7 | 0 | 0 | 0 | 111.5 | |||||
| 267 | F | 23.1 | Very low | 26.5 | Very low | 196 Ų | 196 | 141.4 Ų | 141.4 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | cis | -149.3 | -170.9 | 27.9 | -113.4 | -68.6 | 0 | 0 | 0 | 113 | ||||
| 268 | V | 24.8 | Very low | 26.9 | Very low | 129 Ų | 129 | 140 Ų | 140 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | trans | -135.2 | 138.5 | -168.2 | 174.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 269 | T | 23.6 | Very low | 27.5 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 77% | 0.767 | 76% | 0.764 | S | S | * | * | trans | -168 | 152.4 | 151.9 | 27.2 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 270 | E | 25 | Very low | 28.1 | Very low | 179 Ų | 179 | 138.2 Ų | 138.2 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | cis | -177.7 | 163.6 | -18.9 | -112.2 | -174.3 | 161.3 | 0 | 0 | 105.1 | ||||
| 271 | N | 29.3 | Very low | 28.6 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 87% | 0.872 | 76% | 0.755 | S | S | * | * | trans | -98.9 | 148.3 | 179.6 | -75.9 | -57.8 | 0 | 0 | 0 | 112.2 | ||||
| 272 | P | 31.3 | Very low | 29 | Very low | 117 Ų | 117 | 141 Ų | 141 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | -144 | 174 | 104.9 | 44 | -31.6 | 0 | 0 | 0 | 112.4 | |||||
| 273 | T | 27.6 | Very low | 29.3 | Very low | 131 Ų | 131 | 142.5 Ų | 142.5 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | cis | -149.1 | 155.8 | 5.5 | -22.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 274 | K | 32.5 | Very low | 29.8 | Very low | 198 Ų | 198 | 141.2 Ų | 141.2 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | trans | -88.9 | 135.6 | 163.3 | -68.4 | 177.5 | 176.8 | 178.1 | 0 | 110 | ||||
| 275 | S | 31.4 | Very low | 30.1 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | trans | -161.4 | -23.6 | 168.8 | -159.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 276 | L | 30.4 | Very low | 30.3 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -97.4 | -15 | -166.1 | -82.4 | 157.6 | 0 | 0 | 0 | 116.2 | A278 | L276-A278 VanDerWaalsContact C-N 3.26Å; L276-A278 PolarHBondContact O-N 3.04Å |
| 277 | D | 34.7 | Very low | 30.1 | Very low | 129 Ų | 129 | 139 Ų | 139 | 69% | 0.69 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -6.8 | -175 | -62.3 | -53.9 | 0 | 0 | 0 | 114.7 | ||
| 278 | A | 31.4 | Very low | 30.2 | Very low | 73 Ų | 73 | 138.7 Ų | 138.7 | 60% | 0.603 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -56.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L276 F280 Q281 | L276-A278 VanDerWaalsContact C-N 3.26Å; L276-A278 PolarHBondContact O-N 3.04Å; A278-F280 VanDerWaalsContact C-N 3.26Å; A278-F280 PolarHBondContact O-N 3.33Å; A278-Q281 PolarHBondContact O-N 3.33Å |
| 279 | E | 34.3 | Very low | 30.5 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -61.8 | -34.5 | -175.7 | -63.7 | -176.9 | 121 | 0 | 0 | 112.3 | Q281 E282 F283 | E279-Q281 VanDerWaalsContact C-N 3.29Å; E279-Q281 PolarHBondContact O-N 3Å; E279-E282 PolarHBondContact O-N 3.21Å; E279-F283 PolarHBondContact O-N 3.38Å |
| 280 | F | 35.1 | Very low | 30.7 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 68% | 0.68 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -66.5 | -28.3 | -178.6 | -157.4 | -98.1 | 0 | 0 | 0 | 113.2 | A278 V284 | A278-F280 VanDerWaalsContact C-N 3.26Å; A278-F280 PolarHBondContact O-N 3.33Å; F280-V284 WeakPolarHBondContact O-CG2 3.17Å |
| 281 | Q | 32.9 | Very low | 30.8 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -82.2 | -16.9 | 177.3 | -67.1 | -162.1 | 16.2 | 0 | 0 | 113.9 | A278 E279 | A278-Q281 PolarHBondContact O-N 3.33Å; E279-Q281 VanDerWaalsContact C-N 3.29Å; E279-Q281 PolarHBondContact O-N 3Å |
| 282 | E | 30.9 | Very low | 30.7 | Very low | 153 Ų | 153 | 134 Ų | 134 | 72% | 0.715 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -83.3 | -41.5 | 175 | -167.7 | 150.7 | -136.4 | 0 | 0 | 111 | E279 V284 K285 | E279-E282 PolarHBondContact O-N 3.21Å; E282-V284 PolarHBondContact O-N 3.05Å; E282-K285 PolarHBondContact O-N 3.35Å |
| 283 | F | 32.8 | Very low | 30.4 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 66% | 0.658 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -60.5 | -29.7 | 176.1 | -159.3 | -94.7 | 0 | 0 | 0 | 113.5 | E279 K285 S286 | E279-F283 PolarHBondContact O-N 3.38Å; F283-K285 VanDerWaalsContact C-N 3.28Å; F283-K285 PolarHBondContact O-N 3.45Å; F283-S286 PolarHBondContact O-OG 2.82Å; F283-S286 VanDerWaalsContact O-OG 3.06Å |
| 284 | V | 34.2 | Very low | 30.3 | Very low | 96 Ų | 96 | 133.9 Ų | 133.9 | 58% | 0.582 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -15.7 | 177.4 | 171.7 | 0 | 0 | 0 | 0 | 113 | F280 E282 | F280-V284 WeakPolarHBondContact O-CG2 3.17Å; E282-V284 PolarHBondContact O-N 3.05Å |
| 285 | K | 30.2 | Very low | 29.9 | Very low | 166 Ų | 166 | 129.8 Ų | 129.8 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -18.8 | -179.6 | -70.1 | 174.8 | -176.1 | 167.7 | 0 | 114.4 | E282 F283 | E282-K285 PolarHBondContact O-N 3.35Å; F283-K285 VanDerWaalsContact C-N 3.28Å; F283-K285 PolarHBondContact O-N 3.45Å |
| 286 | S | 27.2 | Very low | 29.7 | Very low | 87 Ų | 87 | 132.5 Ų | 132.5 | 61% | 0.608 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -82.4 | -14.8 | -176.8 | 61.5 | 0 | 0 | 0 | 0 | 114.4 | F283 K288 | F283-S286 PolarHBondContact O-OG 2.82Å; F283-S286 VanDerWaalsContact O-OG 3.06Å; S286-K288 PolarHBondContact O-N 3.19Å |
| 287 | L | 29.1 | Very low | 29.4 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 72% | 0.723 | 73% | 0.733 | S | S | * | * | trans | -103.5 | 64.7 | -175.2 | -69.4 | 172.2 | 0 | 0 | 0 | 112.9 | ||||
| 288 | K | 26.3 | Very low | 28.9 | Very low | 189 Ų | 189 | 136.6 Ų | 136.6 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | trans | -131.5 | 110.9 | 165.3 | -76.7 | -171.9 | 176 | -178.1 | 0 | 111.3 | S286 | S286-K288 PolarHBondContact O-N 3.19Š| ||
| 289 | V | 29.6 | Very low | 28.8 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 84% | 0.842 | 75% | 0.748 | S | S | * | * | trans | -112.1 | 134.9 | 168.4 | -179.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 290 | P | 29 | Very low | 28.3 | Very low | 109 Ų | 109 | 138.1 Ų | 138.1 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 155 | -178.7 | -16.8 | 31.4 | 0 | 0 | 0 | 113.3 | ||
| 291 | P | 27 | Very low | 27.9 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 144.8 | 170.9 | 31.8 | -34.2 | 0 | 0 | 0 | 111.6 | ||
| 292 | P | 27.1 | Very low | 27.5 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 145.7 | 173.4 | 32.6 | -34.4 | 0 | 0 | 0 | 112.1 | ||
| 293 | S | 24.4 | Very low | 27.2 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | -123.2 | 108.8 | -179.1 | 58.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 294 | V | 25.8 | Very low | 26.8 | Very low | 132 Ų | 132 | 131.1 Ų | 131.1 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | -146.2 | 102.1 | 169.7 | 174.8 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 295 | S | 23.7 | Very low | 26.3 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | 79.5 | 134.5 | 95.8 | -53.5 | 0 | 0 | 0 | 0 | 114 | |||||
| 296 | I | 27.3 | Very low | 26 | Very low | 163 Ų | 163 | 128.1 Ų | 128.1 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | -98.6 | 128.1 | 178.5 | -63.1 | 163.4 | 0 | 0 | 0 | 108.3 | ||||
| 297 | E | 24 | Very low | 25.9 | Very low | 185 Ų | 185 | 131.8 Ų | 131.8 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -135.9 | 127.5 | 161.3 | -69.6 | -170 | 151.8 | 0 | 0 | 109.5 | ||||
| 298 | E | 25.6 | Very low | 25.8 | Very low | 173 Ų | 173 | 135.6 Ų | 135.6 | 81% | 0.808 | 81% | 0.808 | S | S | * | * | trans | -87.1 | 148.9 | 165.4 | -62.8 | -175.9 | 132.5 | 0 | 0 | 109.7 | ||||
| 299 | P | 28 | Very low | 25.6 | Very low | 125 Ų | 125 | 137 Ų | 137 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | -121.6 | 125.3 | 150.2 | 33.7 | -24.8 | 0 | 0 | 0 | 112.2 | ||||
| 300 | V | 24 | Very low | 25.4 | Very low | 130 Ų | 130 | 139.4 Ų | 139.4 | 79% | 0.788 | 81% | 0.81 | S | S | * | * | trans | -86.8 | 123.3 | 174.4 | 176 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 301 | S | 26.3 | Very low | 25.1 | Very low | 104 Ų | 104 | 141.9 Ų | 141.9 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -166.1 | 135 | 145.8 | 45.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 302 | S | 24.2 | Very low | 25.1 | Very low | 113 Ų | 113 | 143.2 Ų | 143.2 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | cis | 81.4 | 73.7 | 34.8 | 86.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 303 | A | 24.8 | Very low | 24.9 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -142.8 | 131.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 304 | S | 24.1 | Very low | 24.9 | Very low | 121 Ų | 121 | 143.9 Ų | 143.9 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -121 | 127 | -174.3 | 56.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 305 | A | 24.6 | Very low | 24.8 | Very low | 91 Ų | 91 | 143.9 Ų | 143.9 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | -164.8 | 104.5 | 153.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 306 | S | 23.8 | Very low | 24.7 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | 64.1 | 103.1 | 72.5 | 77.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 307 | D | 25.1 | Very low | 24.5 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | -138.3 | 153 | 155.9 | -134.8 | -30.5 | 0 | 0 | 0 | 110.3 | ||||
| 308 | Y | 26 | Very low | 24.4 | Very low | 217 Ų | 217 | 140.6 Ų | 140.6 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | trans | -84.1 | 147.3 | -155.5 | -92.2 | -107.7 | 0 | 0 | 0 | 115 | ||||
| 309 | R | 23.1 | Very low | 24.3 | Very low | 220 Ų | 220 | 137.5 Ų | 137.5 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | trans | -71.3 | 138.5 | 159.3 | -67.6 | 178.7 | 177.7 | 173.7 | -1.5 | 109.4 | ||||
| 310 | H | 25.9 | Very low | 24.1 | Very low | 188 Ų | 188 | 139.9 Ų | 139.9 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | trans | -145.1 | 131.7 | 136.4 | -114 | -78.1 | 0 | 0 | 0 | 110.7 | ||||
| 311 | Q | 23.2 | Very low | 24.1 | Very low | 162 Ų | 162 | 144.4 Ų | 144.4 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | trans | -100 | 151.9 | 164 | -64.3 | 169.4 | -92.3 | 0 | 0 | 108 | ||||
| 312 | I | 25.5 | Very low | 24 | Very low | 145 Ų | 145 | 146.1 Ų | 146.1 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | 166.4 | 109.3 | 116.2 | -84.1 | 164.9 | 0 | 0 | 0 | 109.5 | |||||
| 313 | D | 23.1 | Very low | 24 | Very low | 136 Ų | 136 | 146.9 Ų | 146.9 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | 44 | 144.5 | 135.1 | -51.3 | -36.6 | 0 | 0 | 0 | 125.3 | ||||
| 314 | T | 24.2 | Very low | 23.9 | Very low | 123 Ų | 123 | 151.1 Ų | 151.1 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | 93.6 | 128.5 | 135.5 | 34.3 | 0 | 0 | 0 | 0 | 124 | ||||
| 315 | T | 23.1 | Very low | 23.8 | Very low | 133 Ų | 133 | 153.3 Ų | 153.3 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | trans | 86.7 | 137.8 | 144.4 | 53.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 316 | S | 22.7 | Very low | 23.7 | Very low | 105 Ų | 105 | 153.7 Ų | 153.7 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | 79.7 | 99.3 | 151.1 | -154.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 317 | L | 22.6 | Very low | 23.9 | Very low | 145 Ų | 145 | 154.9 Ų | 154.9 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | 32 | 142.6 | 121.7 | -76.4 | 159.5 | 0 | 0 | 0 | 122.3 | |||||
| 318 | D | 22.5 | Very low | 23.8 | Very low | 139 Ų | 139 | 151 Ų | 151 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | 63.7 | 95.2 | 150 | -59.1 | -23.3 | 0 | 0 | 0 | 120.4 | ||||
| 319 | S | 24 | Very low | 24.1 | Very low | 109 Ų | 109 | 145.6 Ų | 145.6 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | -169.5 | 103.4 | 122.5 | 32.9 | 0 | 0 | 0 | 0 | 112.8 | R321 | S319-R321 PolarHBondContact O-N 3.24Š| |||
| 320 | I | 23.5 | Very low | 24.5 | Very low | 174 Ų | 174 | 143 Ų | 143 | 89% | 0.892 | 79% | 0.792 | S | S | * | * | trans | -74.1 | 114.5 | 167.5 | -61.3 | 174.1 | 0 | 0 | 0 | 108.2 | ||||
| 321 | R | 23.4 | Very low | 24.8 | Very low | 225 Ų | 225 | 137 Ų | 137 | 85% | 0.849 | 78% | 0.775 | S | S | * | * | trans | -108.4 | 127.8 | 166.1 | -79.4 | -171.4 | 171.2 | -172.8 | -1.3 | 110.3 | S319 V323 | S319-R321 PolarHBondContact O-N 3.24Å; R321-V323 PolarHBondContact O-N 3.2Å | ||
| 322 | T | 24.7 | Very low | 25.7 | Very low | 140 Ų | 140 | 131.4 Ų | 131.4 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 126.4 | 176.4 | 38.4 | 0 | 0 | 0 | 0 | 110.9 | ||
| 323 | V | 23.1 | Very low | 26.2 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 79% | 0.788 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 135 | 166.9 | 178.8 | 0 | 0 | 0 | 0 | 107.6 | R321 | R321-V323 PolarHBondContact O-N 3.2Š|
| 324 | K | 22.9 | Very low | 27.1 | Very low | 198 Ų | 198 | 125.1 Ų | 125.1 | 86% | 0.861 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 124.5 | 174.5 | -70.6 | -179.9 | 175 | -178.3 | 0 | 109.2 | S326 | K324-S326 PolarHBondContact O-N 3.36Š|
| 325 | D | 23.3 | Very low | 28.3 | Very low | 168 Ų | 168 | 122.6 Ų | 122.6 | 90% | 0.898 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 128.1 | 167.8 | -72.1 | -49.9 | 0 | 0 | 0 | 110.4 | ||
| 326 | S | 22.6 | Very low | 29.1 | Very low | 98 Ų | 98 | 121.3 Ų | 121.3 | 69% | 0.685 | 70% | 0.701 | S | S | * | * | trans | -117.4 | 143.1 | 164.6 | -176.3 | 0 | 0 | 0 | 0 | 106.2 | K324 A328 | K324-S326 PolarHBondContact O-N 3.36Å; S326-A328 PolarHBondContact O-N 2.89Å | ||
| 327 | P | 27.2 | Very low | 30.1 | Very low | 134 Ų | 134 | 120 Ų | 120 | 87% | 0.87 | 70% | 0.697 | S | S | * | * | trans | -73.4 | 71.3 | -169.9 | 30.2 | -36.8 | 0 | 0 | 0 | 112.7 | ||||
| 328 | A | 23.5 | Very low | 31.8 | Very low | 82 Ų | 82 | 116.4 Ų | 116.4 | 68% | 0.678 | 69% | 0.694 | S | S | * | * | trans | -68.4 | 131.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | S326 L330 | S326-A328 PolarHBondContact O-N 2.89Å; A328-L330 PolarHBondContact O-N 3.36Å; A328-L330 VanDerWaalsContact O-N 3.11Å | ||
| 329 | S | 32.1 | Very low | 34.1 | Very low | 104 Ų | 104 | 111.2 Ų | 111.2 | 73% | 0.727 | 67% | 0.674 | S | S | * | * | trans | -64.9 | 112.9 | 173.8 | 42.5 | 0 | 0 | 0 | 0 | 109.8 | A331 | S329-A331 PolarHBondContact O-N 2.86Š| ||
| 330 | L | 30.9 | Very low | 36.9 | Very low | 164 Ų | 164 | 109.4 Ų | 109.4 | 86% | 0.859 | 66% | 0.655 | S | S | * | * | trans | -68.5 | 80.8 | 173.2 | -73.5 | 172.8 | 0 | 0 | 0 | 109.7 | A328 V332 | A328-L330 PolarHBondContact O-N 3.36Å; A328-L330 VanDerWaalsContact O-N 3.11Å; L330-V332 PolarHBondContact O-N 2.99Å; L330-V332 VanDerWaalsContact O-N 3.11Å | ||
| 331 | A | 32.3 | Very low | 39.8 | Very low | 63 Ų | 63 | 102 Ų | 102 | 52% | 0.521 | 62% | 0.618 | S | S | . | * | trans | -61.4 | 111.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | S329 V333 | S329-A331 PolarHBondContact O-N 2.86Å; A331-V333 PolarHBondContact O-N 3.28Å | ||
| 332 | V | 42.9 | Very low | 42.8 | Very low | 44 Ų | 44 | 92.8 Ų | 92.8 | 27% | 0.267 | 58% | 0.583 | S | S | . | * | trans | -58.6 | 109.3 | 175.2 | 178.5 | 0 | 0 | 0 | 0 | 108.2 | L330 P334 T569 | L330-V332 PolarHBondContact O-N 2.99Å; L330-V332 VanDerWaalsContact O-N 3.11Å; V332-P334 WeakPolarHBondContact O-CD 3.37Å; V332-T569 HydrophobicContact CG2-CG2 4.03Å | ||
| 333 | V | 35.6 | Very low | 45.5 | Very low | 113 Ų | 113 | 88.9 Ų | 88.9 | 69% | 0.685 | 56% | 0.557 | S | S | * | * | trans | -68.3 | 114.1 | 170.9 | 179.7 | 0 | 0 | 0 | 0 | 107.1 | A331 | A331-V333 PolarHBondContact O-N 3.28Š| ||
| 334 | P | 43.1 | Very low | 48.5 | Very low | 37 Ų | 37 | 86.5 Ų | 86.5 | 24% | 0.24 | 54% | 0.54 | C | S | . | . | P | Polyproline II helix | trans | -69 | 143.3 | -177 | -20.1 | 35.4 | 0 | 0 | 0 | 110.4 | V332 S336 P723 T724 | V332-P334 WeakPolarHBondContact O-CD 3.37Å; P334-S336 PolarHBondContact O-N 3.3Å; P334-S336 VanDerWaalsContact O-N 3.15Å; P334-P723 HydrophobicContact CB-CB 3.88Å; P334-T724 WeakPolarHBondContact CG-O 3.39Å |
| 335 | F | 49.3 | Very low | 51.5 | Low | 70 Ų | 70 | 82.8 Ų | 82.8 | 31% | 0.307 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 121.6 | 179.6 | -74.5 | -92.6 | 0 | 0 | 0 | 111.1 | A337 W350 V573 L577 | F335-A337 PolarHBondContact O-N 2.96Å; F335-W350 HydrophobicContact CB-CH2 4.4Å; F335-W350 HydrophobicContact CB-CZ2 4.3Å; F335-V573 HydrophobicContact CZ-CG1 4.24Å; F335-L577 HydrophobicContact CD2-CD1 4.4Å; F335-L577 HydrophobicContact CE1-CB 4.46Å; F335-L577 HydrophobicContact CE1-CD1 4.45Å; F335-L577 HydrophobicContact CE2-CD1 3.39Å; F335-L577 HydrophobicContact CZ-CB 3.97Å; F335-L577 HydrophobicContact CZ-CD1 3.42Å; F335-L577 VanDerWaalsContact CZ-CD1 3.42Å; F335-L577 HydrophobicContact CZ-CG 4.37Å |
| 336 | S | 40 | Very low | 54.4 | Low | 105 Ų | 105 | 76.8 Ų | 76.8 | 73% | 0.734 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 123.9 | -167 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | P334 | P334-S336 PolarHBondContact O-N 3.3Å; P334-S336 VanDerWaalsContact O-N 3.15Å |
| 337 | A | 42.7 | Very low | 57.7 | Low | 78 Ų | 78 | 72.1 Ų | 72.1 | 65% | 0.645 | 47% | 0.466 | S | S | * | . | S | Bend | trans | 59.5 | 133.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | F335 | F335-A337 PolarHBondContact O-N 2.96Š|
| 338 | G | 58.7 | Low | 60.8 | Low | 69 Ų | 69 | 65.8 Ų | 65.8 | 71% | 0.711 | 43% | 0.425 | S | S | * | . | trans | 93.2 | 0.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 339 | G | 69.4 | Low | 64 | Low | 30 Ų | 30 | 61.9 Ų | 61.9 | 31% | 0.309 | 39% | 0.393 | S | S | . | . | trans | -80.5 | 146.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 340 | I | 83.1 | Confident | 66.9 | Low | 71 Ų | 71 | 58.4 Ų | 58.4 | 36% | 0.364 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 127.7 | 175.3 | -54.5 | 171.9 | 0 | 0 | 0 | 109.7 | Y342 W350 S351 A354 | I340-Y342 HydrophobicContact CB-CE2 4.23Å; I340-Y342 HydrophobicContact CG2-CE1 3.94Å; I340-Y342 HydrophobicContact CG2-CE2 4Å; I340-Y342 WeakPolarHBondContact CG2-OH 3.34Å; I340-W350 WeakPolarHBondContact O-CA 3.43Å; I340-S351 PolarHBondContact N-O 3.01Å; I340-S351 PolarHBondContact O-N 3.1Å; I340-S351 VanDerWaalsContact O-N 3.13Å; I340-A354 HydrophobicContact CD1-CB 4.31Å |
| 341 | T | 85.1 | Confident | 69.7 | Low | 20 Ų | 20 | 50.6 Ų | 50.6 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120.2 | 177.6 | -54.9 | 0 | 0 | 0 | 0 | 113.1 | L348 G349 L720 K721 | T341-L348 HydrophobicContact CG2-CD1 3.61Å; T341-L348 HydrophobicContact CG2-CG 4.38Å; T341-G349 CarbonylContact C-O 3.53Å; T341-G349 VanDerWaalsContact CA-O 3.3Å; T341-G349 WeakPolarHBondContact CA-O 3.32Å; T341-L720 PolarHBondContact OG1-O 3.32Å; T341-K721 HydrophobicContact CG2-CG 3.95Å; T341-K721 PolarHBondContact O-NZ 3.06Å; T341-K721 VanDerWaalsContact O-NZ 3.16Å |
| 342 | Y | 85.4 | Confident | 72.1 | Confident | 31 Ų | 31 | 52.9 Ų | 52.9 | 12% | 0.122 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 145 | 175.6 | -50.9 | -84.1 | 0 | 0 | 0 | 110.5 | I340 L348 G349 H353 A354 V355 F391 | I340-Y342 HydrophobicContact CB-CE2 4.23Å; I340-Y342 HydrophobicContact CG2-CE1 3.94Å; I340-Y342 HydrophobicContact CG2-CE2 4Å; I340-Y342 WeakPolarHBondContact CG2-OH 3.34Å; Y342-L348 WeakPolarHBondContact O-CA 3.22Å; Y342-G349 PolarHBondContact N-O 3.42Å; Y342-G349 PolarHBondContact O-N 3.26Å; Y342-H353 PolarHBondContact OH-O 2.78Å; Y342-H353 VanDerWaalsContact OH-O 3.11Å; Y342-A354 WeakPolarHBondContact OH-CA 3.35Å; Y342-V355 HydrophobicContact CE2-CB 4.36Å; Y342-V355 PolarHBondContact OH-N 2.75Å; Y342-F391 HydrophobicContact CD1-CE1 4.28Å; Y342-F391 HydrophobicContact CG-CE1 4.11Å |
| 343 | N | 83.4 | Confident | 74.1 | Confident | 57 Ų | 57 | 53.4 Ų | 53.4 | 31% | 0.305 | 32% | 0.318 | S | S | . | . | trans | -144.7 | 42.2 | 176.8 | 68.5 | -41.5 | 0 | 0 | 0 | 112.3 | V347 L348 Y717 K721 | N343-V347 CarbonylContact C-O 3.59Å; N343-V347 VanDerWaalsContact CA-O 3.32Å; N343-V347 WeakPolarHBondContact CA-O 3.32Å; N343-L348 HydrophobicContact CB-CD1 4.49Å; N343-Y717 HydrophobicContact CB-CD2 3.96Å; N343-Y717 HydrophobicContact CB-CG 4.31Å; N343-K721 WeakPolarHBondContact OD1-CE 3.42Å; N343-K721 PolarHBondContact OD1-NZ 3.39Å | ||
| 344 | N | 84.2 | Confident | 76.5 | Confident | 80 Ų | 80 | 52.1 Ų | 52.1 | 43% | 0.428 | 32% | 0.319 | S | S | . | . | trans | -105.5 | 153.3 | -175.9 | -60.6 | -10.3 | 0 | 0 | 0 | 111 | G346 V347 F391 | N344-G346 PolarHBondContact O-N 3.21Å; N344-V347 PolarHBondContact N-O 3.33Å; N344-V347 PolarHBondContact O-N 3.27Å; N344-F391 HydrophobicContact CB-CZ 4.19Å | ||
| 345 | Y | 85.8 | Confident | 78.7 | Confident | 121 Ų | 121 | 50.8 Ų | 50.8 | 48% | 0.475 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 23.4 | 178.3 | -43 | -65.4 | 0 | 0 | 0 | 115.2 | V347 P357 A387 R390 F391 | Y345-V347 VanDerWaalsContact C-N 3.32Å; Y345-P357 HydrophobicContact CE2-CB 4.15Å; Y345-P357 HydrophobicContact CE2-CG 4.06Å; Y345-A387 WeakPolarHBondContact O-CB 3.34Å; Y345-R390 VanDerWaalsContact CE1-NH1 3.28Å; Y345-F391 HydrophobicContact CD2-CE2 4.14Å; Y345-F391 HydrophobicContact CD2-CZ 4.14Å |
| 346 | G | 85.5 | Confident | 80.7 | Confident | 41 Ų | 41 | 53.1 Ų | 53.1 | 42% | 0.423 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | -11.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | N344 Y717 | N344-G346 PolarHBondContact O-N 3.21Å; G346-Y717 VanDerWaalsContact O-CE2 3.31Å; G346-Y717 WeakPolarHBondContact O-CE2 3.26Å; G346-Y717 PolarHBondContact O-OH 3.3Å |
| 347 | V | 90.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -94.9 | 132 | -177.7 | 165.3 | 0 | 0 | 0 | 0 | 111.1 | N343 N344 Y345 A387 V388 F391 L586 F587 D588 | N343-V347 CarbonylContact C-O 3.59Å; N343-V347 VanDerWaalsContact CA-O 3.32Å; N343-V347 WeakPolarHBondContact CA-O 3.32Å; N344-V347 PolarHBondContact N-O 3.33Å; N344-V347 PolarHBondContact O-N 3.27Å; Y345-V347 VanDerWaalsContact C-N 3.32Å; V347-A387 HydrophobicContact CG2-CB 3.5Å; V347-V388 HydrophobicContact CG1-CG1 4.27Å; V347-V388 HydrophobicContact CG2-CG1 3.65Å; V347-F391 HydrophobicContact CB-CE2 4.16Å; V347-F391 HydrophobicContact CG1-CD2 4.18Å; V347-F391 HydrophobicContact CG1-CE2 4.11Å; V347-L586 HydrophobicContact CG1-CB 4.4Å; V347-L586 HydrophobicContact CG1-CD2 3.98Å; V347-F587 VanDerWaalsContact CA-O 3.29Å; V347-F587 WeakPolarHBondContact CA-O 3.27Å; V347-D588 HydrophobicContact CG2-CB 4.47Å | ||
| 348 | L | 92.6 | Very high | 85.4 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 127.7 | 160 | -173.8 | 80.4 | 0 | 0 | 0 | 108.6 | T341 Y342 N343 L586 F587 A593 Y596 Y717 L720 | T341-L348 HydrophobicContact CG2-CD1 3.61Å; T341-L348 HydrophobicContact CG2-CG 4.38Å; Y342-L348 WeakPolarHBondContact O-CA 3.22Å; N343-L348 HydrophobicContact CB-CD1 4.49Å; L348-L586 WeakPolarHBondContact O-CA 3.2Å; L348-F587 HydrophobicContact CB-CB 4.32Å; L348-F587 HydrophobicContact CB-CD2 4.48Å; L348-F587 HydrophobicContact CD2-CD2 4.11Å; L348-F587 PolarHBondContact N-O 3.49Å; L348-F587 PolarHBondContact O-N 3.11Å; L348-A593 HydrophobicContact CB-CB 4.38Å; L348-A593 HydrophobicContact CD2-CB 3.9Å; L348-Y596 HydrophobicContact CD2-CD1 4.38Å; L348-Y717 HydrophobicContact CB-CD1 4.05Å; L348-Y717 HydrophobicContact CB-CE1 3.76Å; L348-Y717 HydrophobicContact CB-CE2 4.34Å; L348-Y717 HydrophobicContact CB-CG 4.44Å; L348-Y717 HydrophobicContact CD1-CD1 4.01Å; L348-Y717 HydrophobicContact CD1-CG 4.03Å; L348-Y717 HydrophobicContact CG-CD1 4.46Å; L348-L720 HydrophobicContact CD1-CB 4.19Å; L348-L720 HydrophobicContact CD1-CD1 4.38Å; L348-L720 HydrophobicContact CD2-CB 4.2Å; L348-L720 HydrophobicContact CD2-CD1 3.55Å |
| 349 | G | 92.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 146.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T341 Y342 V585 | T341-G349 CarbonylContact C-O 3.53Å; T341-G349 VanDerWaalsContact CA-O 3.3Å; T341-G349 WeakPolarHBondContact CA-O 3.32Å; Y342-G349 PolarHBondContact N-O 3.42Å; Y342-G349 PolarHBondContact O-N 3.26Å; G349-V585 CarbonylContact C-O 3.52Å; G349-V585 VanDerWaalsContact CA-O 3.27Å; G349-V585 WeakPolarHBondContact CA-O 3.41Å |
| 350 | W | 91.5 | Very high | 87.6 | Confident | 30 Ų | 30 | 47.3 Ų | 47.3 | 11% | 0.114 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 133.2 | 171.8 | -179.2 | 91.5 | 0 | 0 | 0 | 110.4 | F335 I340 R352 V583 L584 V585 | F335-W350 HydrophobicContact CB-CH2 4.4Å; F335-W350 HydrophobicContact CB-CZ2 4.3Å; I340-W350 WeakPolarHBondContact O-CA 3.43Å; W350-R352 HydrophobicContact CH2-CG 4.11Å; W350-V583 HydrophobicContact CE3-CG1 4.48Å; W350-V583 HydrophobicContact CZ3-CG1 3.93Å; W350-L584 CarbonylContact O-C 3.59Å; W350-L584 WeakPolarHBondContact O-CA 3.45Å; W350-V585 HydrophobicContact CE3-CG2 4.24Å; W350-V585 PolarHBondContact N-O 3.21Å; W350-V585 PolarHBondContact O-N 2.8Å |
| 351 | S | 90.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 150.8 | 177.8 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | I340 H353 | I340-S351 PolarHBondContact N-O 3.01Å; I340-S351 PolarHBondContact O-N 3.1Å; I340-S351 VanDerWaalsContact O-N 3.13Å; S351-H353 WeakPolarHBondContact CB-O 3.26Å; S351-H353 PolarHBondContact O-N 2.82Å; S351-H353 PolarHBondContact OG-N 2.85Å; S351-H353 PolarHBondContact OG-O 3.29Å; S351-H353 VanDerWaalsContact OG-O 3.13Å |
| 352 | R | 83.3 | Confident | 87.5 | Confident | 112 Ų | 112 | 49 Ų | 49 | 42% | 0.423 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -68.7 | -20.4 | 167 | -62.3 | -173.1 | -174.2 | -81.9 | 1.6 | 112.9 | W350 P581 | W350-R352 HydrophobicContact CH2-CG 4.11Å; R352-P581 WeakPolarHBondContact CD-O 3.46Å; R352-P581 PolarHBondContact NE-O 3.39Å |
| 353 | H | 83.9 | Confident | 87.4 | Confident | 55 Ų | 55 | 52.5 Ų | 52.5 | 26% | 0.255 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -111.8 | 151.7 | -172.9 | -63.3 | -91.9 | 0 | 0 | 0 | 111.6 | Y342 S351 V355 K400 D582 | Y342-H353 PolarHBondContact OH-O 2.78Å; Y342-H353 VanDerWaalsContact OH-O 3.11Å; S351-H353 WeakPolarHBondContact CB-O 3.26Å; S351-H353 PolarHBondContact O-N 2.82Å; S351-H353 PolarHBondContact OG-N 2.85Å; S351-H353 PolarHBondContact OG-O 3.29Å; S351-H353 VanDerWaalsContact OG-O 3.13Å; H353-V355 PolarHBondContact O-N 3.26Å; H353-K400 PolarHBondContact CE1-NZ 3.19Å; H353-K400 PolarHBondContact ND1-NZ 3.45Å; H353-D582 IonicContact CD2-OD1 2.86Å; H353-D582 IonicContact CE1-OD1 3.37Å; H353-D582 IonicContact NE2-OD1 2.97Å; H353-D582 PolarHBondContact NE2-OD1 3.1Å |
| 354 | A | 87.3 | Confident | 87.4 | Confident | 85 Ų | 85 | 49.9 Ų | 49.9 | 70% | 0.702 | 27% | 0.269 | S | S | * | . | trans | -65 | 122.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | I340 Y342 | I340-A354 HydrophobicContact CD1-CB 4.31Å; Y342-A354 WeakPolarHBondContact OH-CA 3.35Å | ||
| 355 | V | 88.9 | Confident | 86.9 | Confident | 10 Ų | 10 | 48.3 Ų | 48.3 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | trans | -116.2 | 115 | 176.2 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | Y342 H353 F391 P394 H395 L584 | Y342-V355 HydrophobicContact CE2-CB 4.36Å; Y342-V355 PolarHBondContact OH-N 2.75Å; H353-V355 PolarHBondContact O-N 3.26Å; V355-F391 HydrophobicContact CG1-CB 4.23Å; V355-F391 HydrophobicContact CG1-CD1 4.31Å; V355-F391 WeakPolarHBondContact CG1-O 3.3Å; V355-P394 HydrophobicContact CG1-CG 4.4Å; V355-H395 HydrophobicContact CG1-CB 4.48Å; V355-H395 HydrophobicContact CG2-CB 4.36Å; V355-L584 HydrophobicContact CG1-CD2 4.41Å; V355-L584 HydrophobicContact CG2-CD1 4.3Å; V355-L584 HydrophobicContact CG2-CD2 4.39Å | ||
| 356 | V | 89.8 | Confident | 86.8 | Confident | 119 Ų | 119 | 47.3 Ų | 47.3 | 72% | 0.721 | 27% | 0.266 | S | S | * | . | P | Polyproline II helix | trans | -88.9 | 118.6 | 172.8 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | P394 | V356-P394 VanDerWaalsContact O-CG 3.32Å; V356-P394 WeakPolarHBondContact O-CG 3.26Å |
| 357 | P | 91.7 | Very high | 87 | Confident | 34 Ų | 34 | 45.6 Ų | 45.6 | 22% | 0.221 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -77.4 | 134.3 | -177.5 | 28.9 | -33 | 0 | 0 | 0 | 112.4 | Y345 R390 F391 | Y345-P357 HydrophobicContact CE2-CB 4.15Å; Y345-P357 HydrophobicContact CE2-CG 4.06Å; P357-R390 CarbonylContact C-O 3.55Å; P357-R390 WeakPolarHBondContact CA-O 3.36Å; P357-R390 HydrophobicContact CB-CB 4.1Å; P357-F391 HydrophobicContact CB-CD1 3.85Å; P357-F391 HydrophobicContact CB-CE1 3.8Å; P357-F391 HydrophobicContact CB-CG 4.33Å; P357-F391 HydrophobicContact CB-CZ 4.25Å; P357-F391 HydrophobicContact CG-CD1 4.4Å; P357-F391 HydrophobicContact CG-CE1 3.97Å; P357-F391 HydrophobicContact CG-CZ 4.5Å |
| 358 | C | 91.3 | Very high | 87 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.034 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -84.9 | 140.3 | 171.4 | 62.6 | 0 | 0 | 0 | 0 | 111.4 | E363 R390 | C358-E363 HydrophobicContact CB-CB 3.68Å; C358-R390 PolarHBondContact N-O 3.36Å; C358-R390 WeakPolarHBondContact O-CA 3.47Å; C358-R390 VanDerWaalsContact O-CB 3.22Å; C358-R390 WeakPolarHBondContact O-CB 3.44Å; C358-R390 VanDerWaalsContact O-CG 3.22Å; C358-R390 WeakPolarHBondContact O-CG 3.27Å; C358-R390 PolarHBondContact SG-O 3.48Å |
| 359 | Y | 87.6 | Confident | 86.8 | Confident | 115 Ų | 115 | 52.1 Ų | 52.1 | 45% | 0.451 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -78.8 | -33.6 | 177.1 | -172.3 | -94.6 | 0 | 0 | 0 | 112.9 | E363 R384 A385 R390 | Y359-E363 VanDerWaalsContact CB-OE2 3.24Å; Y359-E363 WeakPolarHBondContact CB-OE2 3.43Å; Y359-E363 PolarHBondContact N-OE2 2.82Å; Y359-R384 HydrophobicContact CD1-CB 4.48Å; Y359-R384 HydrophobicContact CE1-CB 4Å; Y359-A385 WeakPolarHBondContact O-CB 3.29Å; Y359-A385 PolarHBondContact O-N 3.19Å; Y359-R390 PolarHBondContact O-NH2 2.84Å |
| 360 | G | 85.6 | Confident | 86.8 | Confident | 6 Ų | 6 | 55 Ų | 55 | 6% | 0.062 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -150.3 | 179.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | T362 E363 A364 | G360-T362 PolarHBondContact O-N 2.99Å; G360-T362 VanDerWaalsContact O-N 3.16Å; G360-E363 PolarHBondContact O-N 3.1Å; G360-E363 VanDerWaalsContact O-N 3.13Å; G360-A364 PolarHBondContact O-N 3.41Å |
| 361 | L | 83.4 | Confident | 86.8 | Confident | 10 Ų | 10 | 53.5 Ų | 53.5 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -18.7 | -178.6 | -85.8 | 174.8 | 0 | 0 | 0 | 114.5 | R372 M375 Q376 A381 W393 | L361-R372 HydrophobicContact CD2-CG 4.46Å; L361-R372 WeakPolarHBondContact O-CD 3.46Å; L361-R372 VanDerWaalsContact O-CZ 3.3Å; L361-R372 PolarHBondContact O-NE 3.22Å; L361-R372 PolarHBondContact O-NH1 3.06Å; L361-M375 HydrophobicContact CD1-CB 4.06Å; L361-M375 HydrophobicContact CD1-CE 4.5Å; L361-M375 HydrophobicContact CD2-CE 3.7Å; L361-M375 HydrophobicContact CD2-SD 3.79Å; L361-Q376 HydrophobicContact CD1-CG 4.29Å; L361-A381 HydrophobicContact CD1-CB 4.06Å; L361-A381 HydrophobicContact CG-CB 4.05Å; L361-W393 HydrophobicContact CD2-CE3 4.25Å; L361-W393 HydrophobicContact CD2-CH2 3.61Å; L361-W393 HydrophobicContact CD2-CZ2 4.3Å; L361-W393 HydrophobicContact CD2-CZ3 3.58Å; L361-W393 HydrophobicContact CG-CH2 3.91Å; L361-W393 HydrophobicContact CG-CZ3 3.89Å |
| 362 | T | 82.6 | Confident | 86.9 | Confident | 115 Ų | 115 | 56.1 Ų | 56.1 | 71% | 0.706 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -39 | 174 | 38 | 0 | 0 | 0 | 0 | 112.4 | G360 R372 | G360-T362 PolarHBondContact O-N 2.99Å; G360-T362 VanDerWaalsContact O-N 3.16Å; T362-R372 VanDerWaalsContact C-NH1 3.3Å; T362-R372 PolarHBondContact O-NH1 3.32Å |
| 363 | E | 84 | Confident | 87.2 | Confident | 105 Ų | 105 | 57.7 Ų | 57.7 | 49% | 0.491 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -9.7 | -173.8 | -68.3 | 151.8 | -121.1 | 0 | 0 | 113.5 | C358 Y359 G360 P365 | C358-E363 HydrophobicContact CB-CB 3.68Å; Y359-E363 VanDerWaalsContact CB-OE2 3.24Å; Y359-E363 WeakPolarHBondContact CB-OE2 3.43Å; Y359-E363 PolarHBondContact N-OE2 2.82Å; G360-E363 PolarHBondContact O-N 3.1Å; G360-E363 VanDerWaalsContact O-N 3.13Å; E363-P365 WeakPolarHBondContact O-CD 3.38Å |
| 364 | A | 82.9 | Confident | 87.5 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 2% | 0.017 | 30% | 0.301 | C | S | . | . | trans | -67.1 | 119.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.2 | G360 I367 R372 W393 | G360-A364 PolarHBondContact O-N 3.41Å; A364-I367 HydrophobicContact CB-CD1 3.83Å; A364-I367 HydrophobicContact CB-CG1 4.28Å; A364-R372 PolarHBondContact O-NH2 3.32Å; A364-W393 HydrophobicContact CB-CB 4.26Å; A364-W393 HydrophobicContact CB-CE3 4.04Å | ||
| 365 | P | 75.2 | Confident | 87.7 | Confident | 48 Ų | 48 | 51 Ų | 51 | 31% | 0.312 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -72.2 | 150.6 | 178 | 29.5 | -32.7 | 0 | 0 | 0 | 111 | E363 I367 P394 S397 | E363-P365 WeakPolarHBondContact O-CD 3.38Å; P365-I367 PolarHBondContact O-N 3.11Å; P365-P394 HydrophobicContact CG-CB 3.78Å; P365-S397 WeakPolarHBondContact O-CB 3.31Å; P365-S397 PolarHBondContact O-OG 2.9Å |
| 366 | D | 83.6 | Confident | 87.7 | Confident | 100 Ų | 100 | 55.7 Ų | 55.7 | 54% | 0.535 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 59.6 | -4.4 | 171.6 | -44.6 | -37.2 | 0 | 0 | 0 | 117.9 | S368 Q422 | D366-S368 PolarHBondContact O-N 3.07Å; D366-Q422 PolarHBondContact O-NE2 3.46Å |
| 367 | I | 88.2 | Confident | 87.6 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | trans | -71.1 | 121.1 | 163.4 | -53.7 | -174.1 | 0 | 0 | 0 | 108.6 | A364 P365 I371 R372 W393 | A364-I367 HydrophobicContact CB-CD1 3.83Å; A364-I367 HydrophobicContact CB-CG1 4.28Å; P365-I367 PolarHBondContact O-N 3.11Å; I367-I371 HydrophobicContact CG2-CB 4.06Å; I367-I371 HydrophobicContact CG2-CG2 3.57Å; I367-R372 HydrophobicContact CG2-CG 3.99Å; I367-R372 PolarHBondContact O-NE 3.18Å; I367-R372 PolarHBondContact O-NH2 3.04Å; I367-W393 HydrophobicContact CD1-CB 4.2Å; I367-W393 HydrophobicContact CD1-CD2 4.28Å; I367-W393 HydrophobicContact CD1-CG 4.05Å | ||
| 368 | S | 90.4 | Very high | 87.4 | Confident | 32 Ų | 32 | 56.5 Ų | 56.5 | 22% | 0.224 | 28% | 0.283 | C | S | . | . | trans | -65.7 | 155.6 | -178.7 | 63.2 | 0 | 0 | 0 | 0 | 113.4 | D366 I370 I371 R372 Q422 | D366-S368 PolarHBondContact O-N 3.07Å; S368-I370 PolarHBondContact O-N 2.82Å; S368-I371 PolarHBondContact O-N 3.12Å; S368-I371 WeakPolarHBondContact OG-CB 3.3Å; S368-I371 VanDerWaalsContact OG-CG1 3.31Å; S368-I371 WeakPolarHBondContact OG-CG1 3.36Å; S368-I371 PolarHBondContact OG-N 2.73Å; S368-R372 VanDerWaalsContact O-CG 3.29Å; S368-R372 WeakPolarHBondContact O-CG 3.22Å; S368-R372 PolarHBondContact O-N 3.27Å; S368-Q422 VanDerWaalsContact CB-OE1 3.24Å; S368-Q422 PolarHBondContact OG-OE1 3.03Å | ||
| 369 | T | 89.9 | Confident | 87.2 | Confident | 108 Ų | 108 | 57.7 Ų | 57.7 | 66% | 0.663 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61 | -31.7 | 175.7 | 50.7 | 0 | 0 | 0 | 0 | 112.9 | R373 | T369-R373 PolarHBondContact O-N 3.07Å |
| 370 | I | 91.5 | Very high | 87.1 | Confident | 59 Ų | 59 | 53 Ų | 53 | 30% | 0.303 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.9 | -51.1 | 175.4 | -61.1 | 175 | 0 | 0 | 0 | 110.5 | S368 R372 R373 A374 L463 L464 | S368-I370 PolarHBondContact O-N 2.82Å; I370-R372 PolarHBondContact O-N 3.36Å; I370-R373 WeakPolarHBondContact O-CB 3.34Å; I370-R373 PolarHBondContact O-N 2.97Å; I370-R373 VanDerWaalsContact O-N 3.13Å; I370-A374 PolarHBondContact O-N 3.21Å; I370-L463 VanDerWaalsContact CG2-C 3.48Å; I370-L463 HydrophobicContact CG2-CB 3.61Å; I370-L463 WeakPolarHBondContact CG2-O 3.43Å; I370-L464 HydrophobicContact CB-CD2 4.16Å; I370-L464 HydrophobicContact CD1-CD2 4.33Å; I370-L464 HydrophobicContact CG2-CD2 3.88Å; I370-L464 HydrophobicContact CG2-CG 4.4Å |
| 371 | I | 92.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 178.2 | -70.7 | -75.4 | 0 | 0 | 0 | 111.3 | I367 S368 R373 A374 M375 P418 Q422 L460 L464 | I367-I371 HydrophobicContact CG2-CB 4.06Å; I367-I371 HydrophobicContact CG2-CG2 3.57Å; S368-I371 PolarHBondContact O-N 3.12Å; S368-I371 WeakPolarHBondContact OG-CB 3.3Å; S368-I371 VanDerWaalsContact OG-CG1 3.31Å; S368-I371 WeakPolarHBondContact OG-CG1 3.36Å; S368-I371 PolarHBondContact OG-N 2.73Å; I371-R373 VanDerWaalsContact C-N 3.28Å; I371-R373 PolarHBondContact O-N 3.31Å; I371-A374 PolarHBondContact O-N 3.2Å; I371-M375 HydrophobicContact CG2-CG 4.36Å; I371-M375 HydrophobicContact CG2-SD 3.96Å; I371-M375 WeakPolarHBondContact O-CB 3.22Å; I371-M375 VanDerWaalsContact O-CG 3.26Å; I371-M375 WeakPolarHBondContact O-CG 3.24Å; I371-M375 PolarHBondContact O-N 2.63Å; I371-P418 HydrophobicContact CG2-CB 3.68Å; I371-Q422 HydrophobicContact CD1-CB 4.48Å; I371-Q422 HydrophobicContact CG1-CB 4.09Å; I371-Q422 HydrophobicContact CG1-CG 4.22Å; I371-L460 HydrophobicContact CD1-CB 3.96Å; I371-L460 HydrophobicContact CD1-CD2 4.01Å; I371-L460 WeakPolarHBondContact CD1-O 3.41Å; I371-L460 HydrophobicContact CG2-CD2 4.2Å; I371-L464 HydrophobicContact CD1-CD1 4.22Å; I371-L464 HydrophobicContact CD1-CG 4.44Å; I371-L464 HydrophobicContact CG1-CD2 4.29Å |
| 372 | R | 90.9 | Very high | 86.5 | Confident | 55 Ų | 55 | 62.6 Ų | 62.6 | 21% | 0.208 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.5 | -41.5 | 172.3 | -68 | 172.6 | -154.1 | -140.8 | 6.2 | 111.6 | L361 T362 A364 I367 S368 I370 M375 Q376 | L361-R372 HydrophobicContact CD2-CG 4.46Å; L361-R372 WeakPolarHBondContact O-CD 3.46Å; L361-R372 VanDerWaalsContact O-CZ 3.3Å; L361-R372 PolarHBondContact O-NE 3.22Å; L361-R372 PolarHBondContact O-NH1 3.06Å; T362-R372 VanDerWaalsContact C-NH1 3.3Å; T362-R372 PolarHBondContact O-NH1 3.32Å; A364-R372 PolarHBondContact O-NH2 3.32Å; I367-R372 HydrophobicContact CG2-CG 3.99Å; I367-R372 PolarHBondContact O-NE 3.18Å; I367-R372 PolarHBondContact O-NH2 3.04Å; S368-R372 VanDerWaalsContact O-CG 3.29Å; S368-R372 WeakPolarHBondContact O-CG 3.22Å; S368-R372 PolarHBondContact O-N 3.27Å; I370-R372 PolarHBondContact O-N 3.36Å; R372-M375 PolarHBondContact O-N 3.47Å; R372-Q376 VanDerWaalsContact O-CG 3.28Å; R372-Q376 WeakPolarHBondContact O-CG 3.41Å; R372-Q376 PolarHBondContact O-N 3.33Å |
| 373 | R | 89.1 | Confident | 86.2 | Confident | 145 Ų | 145 | 62.3 Ų | 62.3 | 55% | 0.547 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66 | -45.4 | 176.4 | -173.8 | -176.8 | -67.5 | 149.8 | -2.2 | 112.3 | T369 I370 I371 M375 Q376 Q377 | T369-R373 PolarHBondContact O-N 3.07Å; I370-R373 WeakPolarHBondContact O-CB 3.34Å; I370-R373 PolarHBondContact O-N 2.97Å; I370-R373 VanDerWaalsContact O-N 3.13Å; I371-R373 VanDerWaalsContact C-N 3.28Å; I371-R373 PolarHBondContact O-N 3.31Å; R373-M375 VanDerWaalsContact C-N 3.33Å; R373-M375 PolarHBondContact O-N 2.97Å; R373-Q376 PolarHBondContact O-N 3.4Å; R373-Q377 WeakPolarHBondContact O-CG 3.49Å; R373-Q377 PolarHBondContact O-N 2.78Å |
| 374 | A | 91.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.4 | -45.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | I370 I371 Q376 Q377 M378 L460 L463 | I370-A374 PolarHBondContact O-N 3.21Å; I371-A374 PolarHBondContact O-N 3.2Å; A374-Q376 PolarHBondContact O-N 3.06Å; A374-Q377 PolarHBondContact O-N 2.85Å; A374-M378 HydrophobicContact CB-CE 4.13Å; A374-M378 WeakPolarHBondContact O-CE 3.47Å; A374-M378 PolarHBondContact O-N 3.2Å; A374-M378 VanDerWaalsContact O-N 3.08Å; A374-L460 HydrophobicContact CB-CD2 4.04Å; A374-L463 HydrophobicContact CB-CD1 3.87Å; A374-L463 HydrophobicContact CB-CG 4.4Å |
| 375 | M | 91.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.8 | -44.2 | 176.1 | -72 | 177.4 | 78.1 | 0 | 0 | 112.4 | L361 I371 R372 R373 M378 G379 V380 W393 W414 P418 L460 | L361-M375 HydrophobicContact CD1-CB 4.06Å; L361-M375 HydrophobicContact CD1-CE 4.5Å; L361-M375 HydrophobicContact CD2-CE 3.7Å; L361-M375 HydrophobicContact CD2-SD 3.79Å; I371-M375 HydrophobicContact CG2-CG 4.36Å; I371-M375 HydrophobicContact CG2-SD 3.96Å; I371-M375 WeakPolarHBondContact O-CB 3.22Å; I371-M375 VanDerWaalsContact O-CG 3.26Å; I371-M375 WeakPolarHBondContact O-CG 3.24Å; I371-M375 PolarHBondContact O-N 2.63Å; R372-M375 PolarHBondContact O-N 3.47Å; R373-M375 VanDerWaalsContact C-N 3.33Å; R373-M375 PolarHBondContact O-N 2.97Å; M375-M378 CarbonylContact O-C 3.6Å; M375-M378 PolarHBondContact O-N 2.95Å; M375-G379 PolarHBondContact O-N 3.38Å; M375-V380 HydrophobicContact CB-CB 4.12Å; M375-V380 HydrophobicContact CE-CB 4.35Å; M375-V380 HydrophobicContact CE-CG1 3.63Å; M375-V380 WeakPolarHBondContact O-CB 3.29Å; M375-V380 PolarHBondContact O-N 3.19Å; M375-W393 HydrophobicContact CE-CH2 3.99Å; M375-W393 HydrophobicContact CE-CZ2 3.51Å; M375-W414 HydrophobicContact CE-CE3 4.21Å; M375-W414 HydrophobicContact CE-CZ3 4.49Å; M375-W414 HydrophobicContact CG-CZ3 4.05Å; M375-P418 HydrophobicContact CE-CB 4.18Å; M375-P418 HydrophobicContact CE-CG 3.43Å; M375-P418 VanDerWaalsContact CE-CG 3.43Å; M375-P418 HydrophobicContact CG-CG 4.33Å; M375-P418 HydrophobicContact SD-CB 3.54Å; M375-P418 VanDerWaalsContact SD-CB 3.54Å; M375-P418 HydrophobicContact SD-CG 3.46Å; M375-P418 WeakPolarHBondContact SD-CG 3.44Å; M375-L460 HydrophobicContact CG-CD2 3.99Å |
| 376 | Q | 88.7 | Confident | 87.4 | Confident | 107 Ų | 107 | 68.3 Ų | 68.3 | 50% | 0.5 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 177 | -75.2 | 168.9 | -24.4 | 0 | 0 | 112.7 | L361 R372 R373 A374 G379 | L361-Q376 HydrophobicContact CD1-CG 4.29Å; R372-Q376 VanDerWaalsContact O-CG 3.28Å; R372-Q376 WeakPolarHBondContact O-CG 3.41Å; R372-Q376 PolarHBondContact O-N 3.33Å; R373-Q376 PolarHBondContact O-N 3.4Å; A374-Q376 PolarHBondContact O-N 3.06Å; Q376-G379 WeakPolarHBondContact O-CA 3.32Å; Q376-G379 PolarHBondContact O-N 2.99Å |
| 377 | Q | 87.6 | Confident | 87.7 | Confident | 117 Ų | 117 | 64.7 Ų | 64.7 | 55% | 0.547 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 174.8 | -73.2 | 173.3 | -18.6 | 0 | 0 | 111.4 | R373 A374 G379 | R373-Q377 WeakPolarHBondContact O-CG 3.49Å; R373-Q377 PolarHBondContact O-N 2.78Å; A374-Q377 PolarHBondContact O-N 2.85Å; Q377-G379 PolarHBondContact O-N 3.18Å; Q377-G379 VanDerWaalsContact O-N 3.12Å |
| 378 | M | 88.3 | Confident | 87.9 | Confident | 54 Ų | 54 | 64.5 Ų | 64.5 | 27% | 0.266 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 3.4 | 172.8 | -72 | 178.2 | -79.5 | 0 | 0 | 114.4 | A374 M375 V380 W414 T459 L460 | A374-M378 HydrophobicContact CB-CE 4.13Å; A374-M378 WeakPolarHBondContact O-CE 3.47Å; A374-M378 PolarHBondContact O-N 3.2Å; A374-M378 VanDerWaalsContact O-N 3.08Å; M375-M378 CarbonylContact O-C 3.6Å; M375-M378 PolarHBondContact O-N 2.95Å; M378-V380 VanDerWaalsContact C-N 3.27Å; M378-V380 HydrophobicContact CB-CG2 4.21Å; M378-V380 PolarHBondContact O-N 3.29Å; M378-W414 HydrophobicContact CE-CH2 3.7Å; M378-W414 HydrophobicContact CE-CZ3 4.46Å; M378-W414 HydrophobicContact SD-CH2 3.74Å; M378-W414 HydrophobicContact SD-CZ2 4.09Å; M378-T459 HydrophobicContact CE-CG2 3.72Å; M378-T459 HydrophobicContact CG-CG2 3.91Å; M378-T459 HydrophobicContact SD-CG2 3.72Å; M378-L460 HydrophobicContact CE-CD2 3.78Å; M378-L460 HydrophobicContact CE-CG 3.94Å |
| 379 | G | 86 | Confident | 88.1 | Confident | 29 Ų | 29 | 63.1 Ų | 63.1 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 8.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | M375 Q376 Q377 A381 | M375-G379 PolarHBondContact O-N 3.38Å; Q376-G379 WeakPolarHBondContact O-CA 3.32Å; Q376-G379 PolarHBondContact O-N 2.99Å; Q377-G379 PolarHBondContact O-N 3.18Å; Q377-G379 VanDerWaalsContact O-N 3.12Å; G379-A381 PolarHBondContact O-N 3.17Å |
| 380 | V | 85.8 | Confident | 88.3 | Confident | 18 Ų | 18 | 58.6 Ų | 58.6 | 11% | 0.109 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 123.2 | 179.4 | -174.8 | 0 | 0 | 0 | 0 | 109.5 | M375 M378 R382 W414 | M375-V380 HydrophobicContact CB-CB 4.12Å; M375-V380 HydrophobicContact CE-CB 4.35Å; M375-V380 HydrophobicContact CE-CG1 3.63Å; M375-V380 WeakPolarHBondContact O-CB 3.29Å; M375-V380 PolarHBondContact O-N 3.19Å; M378-V380 VanDerWaalsContact C-N 3.27Å; M378-V380 HydrophobicContact CB-CG2 4.21Å; M378-V380 PolarHBondContact O-N 3.29Å; V380-R382 VanDerWaalsContact C-N 3.3Å; V380-R382 PolarHBondContact O-N 2.66Å; V380-W414 HydrophobicContact CG1-CD2 4.26Å; V380-W414 HydrophobicContact CG1-CE3 4.12Å; V380-W414 HydrophobicContact CG2-CD2 3.86Å; V380-W414 HydrophobicContact CG2-CE3 3.95Å; V380-W414 HydrophobicContact CG2-CH2 4Å; V380-W414 HydrophobicContact CG2-CZ2 3.88Å; V380-W414 HydrophobicContact CG2-CZ3 4.02Å |
| 381 | A | 80.4 | Confident | 88.4 | Confident | 20 Ų | 20 | 55.8 Ų | 55.8 | 17% | 0.165 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 37.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | L361 G379 S383 R384 W393 | L361-A381 HydrophobicContact CD1-CB 4.06Å; L361-A381 HydrophobicContact CG-CB 4.05Å; G379-A381 PolarHBondContact O-N 3.17Å; A381-S383 PolarHBondContact O-N 3.24Å; A381-S383 VanDerWaalsContact O-N 3.07Å; A381-R384 WeakPolarHBondContact CA-O 3.4Å; A381-R384 WeakPolarHBondContact CB-O 3.43Å; A381-W393 HydrophobicContact CB-CH2 3.76Å; A381-W393 HydrophobicContact CB-CZ3 4.47Å |
| 382 | R | 75.1 | Confident | 88.5 | Confident | 197 Ų | 197 | 55.8 Ų | 55.8 | 74% | 0.743 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -47.6 | -35.6 | 177.1 | -76.2 | -176.9 | 175.5 | 167.9 | 4.6 | 114.8 | V380 | V380-R382 VanDerWaalsContact C-N 3.3Å; V380-R382 PolarHBondContact O-N 2.66Å |
| 383 | S | 76.1 | Confident | 88.7 | Confident | 109 Ų | 109 | 53.1 Ų | 53.1 | 76% | 0.762 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -120 | -30.7 | 180 | 57.2 | 0 | 0 | 0 | 0 | 114.5 | A381 | A381-S383 PolarHBondContact O-N 3.24Å; A381-S383 VanDerWaalsContact O-N 3.07Å |
| 384 | R | 85.6 | Confident | 88.9 | Confident | 153 Ų | 153 | 46.9 Ų | 46.9 | 58% | 0.577 | 23% | 0.229 | S | C | * | . | trans | -162.2 | 154 | 177.9 | 63.1 | -173.3 | -178.6 | -174 | 0.1 | 111.9 | Y359 A381 | Y359-R384 HydrophobicContact CD1-CB 4.48Å; Y359-R384 HydrophobicContact CE1-CB 4Å; A381-R384 WeakPolarHBondContact CA-O 3.4Å; A381-R384 WeakPolarHBondContact CB-O 3.43Å | ||
| 385 | A | 90.1 | Very high | 89 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 2% | 0.017 | 23% | 0.23 | C | C | . | . | trans | -70 | 142.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y359 Q389 R390 W393 | Y359-A385 WeakPolarHBondContact O-CB 3.29Å; Y359-A385 PolarHBondContact O-N 3.19Å; A385-Q389 HydrophobicContact CB-CB 4.44Å; A385-R390 HydrophobicContact CB-CG 3.95Å; A385-R390 PolarHBondContact O-NE 3.25Å; A385-R390 PolarHBondContact O-NH2 3.03Å; A385-W393 HydrophobicContact CB-CE3 4.12Å; A385-W393 HydrophobicContact CB-CH2 4.01Å; A385-W393 HydrophobicContact CB-CZ3 3.51Å | ||
| 386 | R | 91.6 | Very high | 89 | Confident | 126 Ų | 126 | 47.1 Ų | 47.1 | 48% | 0.475 | 23% | 0.23 | S | C | . | . | trans | -73.5 | 154.9 | 175.9 | -59.5 | 179.5 | 170.5 | -169.9 | -9.9 | 110.9 | V388 Q389 R390 Q409 I410 | R386-V388 PolarHBondContact O-N 2.72Å; R386-Q389 HydrophobicContact CB-CG 4.25Å; R386-Q389 VanDerWaalsContact N-OE1 3.15Å; R386-Q389 WeakPolarHBondContact O-CA 3.45Å; R386-Q389 VanDerWaalsContact O-CB 3.3Å; R386-Q389 WeakPolarHBondContact O-CB 3.39Å; R386-Q389 PolarHBondContact O-N 2.74Å; R386-R390 WeakPolarHBondContact O-CG 3.46Å; R386-R390 PolarHBondContact O-N 2.82Å; R386-Q409 PolarHBondContact NH1-O 3.14Å; R386-I410 WeakPolarHBondContact CD-O 3.37Å; R386-I410 PolarHBondContact NH1-O 3.45Å | ||
| 387 | A | 90.8 | Very high | 89.1 | Confident | 23 Ų | 23 | 42.1 Ų | 42.1 | 19% | 0.19 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -49.2 | -53 | -164.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y345 V347 Q389 R390 F391 | Y345-A387 WeakPolarHBondContact O-CB 3.34Å; V347-A387 HydrophobicContact CG2-CB 3.5Å; A387-Q389 PolarHBondContact O-N 2.66Å; A387-R390 WeakPolarHBondContact O-CB 3.27Å; A387-R390 PolarHBondContact O-N 3.4Å; A387-F391 WeakPolarHBondContact O-CD2 3.41Å |
| 388 | V | 93.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65 | -34.4 | 176.3 | -69.8 | 0 | 0 | 0 | 0 | 114 | V347 R386 R390 F391 A392 V404 I410 L586 D588 | V347-V388 HydrophobicContact CG1-CG1 4.27Å; V347-V388 HydrophobicContact CG2-CG1 3.65Å; R386-V388 PolarHBondContact O-N 2.72Å; V388-R390 VanDerWaalsContact C-N 3.25Å; V388-R390 PolarHBondContact O-N 2.78Å; V388-F391 PolarHBondContact O-N 2.95Å; V388-A392 WeakPolarHBondContact O-CB 3.31Å; V388-A392 PolarHBondContact O-N 3.49Å; V388-V404 HydrophobicContact CB-CG1 4.02Å; V388-V404 HydrophobicContact CG1-CG1 4.03Å; V388-V404 HydrophobicContact CG2-CG1 4.17Å; V388-I410 HydrophobicContact CG2-CD1 4.39Å; V388-L586 HydrophobicContact CB-CD1 4.16Å; V388-L586 HydrophobicContact CG1-CB 4.22Å; V388-L586 WeakPolarHBondContact O-CD1 3.29Å; V388-D588 HydrophobicContact CG1-CB 3.82Å |
| 389 | Q | 94 | Very high | 89.1 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.7 | -31.7 | -179.2 | -63.3 | 171.8 | -21.2 | 0 | 0 | 111.8 | A385 R386 A387 F391 A392 W393 G411 W414 S415 | A385-Q389 HydrophobicContact CB-CB 4.44Å; R386-Q389 HydrophobicContact CB-CG 4.25Å; R386-Q389 VanDerWaalsContact N-OE1 3.15Å; R386-Q389 WeakPolarHBondContact O-CA 3.45Å; R386-Q389 VanDerWaalsContact O-CB 3.3Å; R386-Q389 WeakPolarHBondContact O-CB 3.39Å; R386-Q389 PolarHBondContact O-N 2.74Å; A387-Q389 PolarHBondContact O-N 2.66Å; Q389-F391 PolarHBondContact O-N 3.46Å; Q389-A392 PolarHBondContact O-N 2.79Å; Q389-W393 HydrophobicContact CB-CD2 4.11Å; Q389-W393 HydrophobicContact CB-CH2 4.37Å; Q389-W393 HydrophobicContact CB-CZ2 3.92Å; Q389-W393 HydrophobicContact CG-CZ2 4.17Å; Q389-W393 WeakPolarHBondContact O-CB 3.41Å; Q389-W393 PolarHBondContact O-N 3.16Å; Q389-G411 PolarHBondContact NE2-O 3.48Å; Q389-W414 VanDerWaalsContact NE2-CB 3.32Å; Q389-S415 WeakPolarHBondContact CG-OG 3.24Å |
| 390 | R | 93.4 | Very high | 89.4 | Confident | 13 Ų | 13 | 38.1 Ų | 38.1 | 5% | 0.049 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.5 | -38.8 | 177.8 | -59.7 | -178.4 | 171.9 | -129.7 | -27.2 | 112.8 | Y345 P357 C358 Y359 A385 R386 A387 V388 P394 | Y345-R390 VanDerWaalsContact CE1-NH1 3.28Å; P357-R390 CarbonylContact C-O 3.55Å; P357-R390 WeakPolarHBondContact CA-O 3.36Å; P357-R390 HydrophobicContact CB-CB 4.1Å; C358-R390 PolarHBondContact N-O 3.36Å; C358-R390 WeakPolarHBondContact O-CA 3.47Å; C358-R390 VanDerWaalsContact O-CB 3.22Å; C358-R390 WeakPolarHBondContact O-CB 3.44Å; C358-R390 VanDerWaalsContact O-CG 3.22Å; C358-R390 WeakPolarHBondContact O-CG 3.27Å; C358-R390 PolarHBondContact SG-O 3.48Å; Y359-R390 PolarHBondContact O-NH2 2.84Å; A385-R390 HydrophobicContact CB-CG 3.95Å; A385-R390 PolarHBondContact O-NE 3.25Å; A385-R390 PolarHBondContact O-NH2 3.03Å; R386-R390 WeakPolarHBondContact O-CG 3.46Å; R386-R390 PolarHBondContact O-N 2.82Å; A387-R390 WeakPolarHBondContact O-CB 3.27Å; A387-R390 PolarHBondContact O-N 3.4Å; V388-R390 VanDerWaalsContact C-N 3.25Å; V388-R390 PolarHBondContact O-N 2.78Å; R390-P394 VanDerWaalsContact O-CD 3.32Å; R390-P394 WeakPolarHBondContact O-CD 3.48Å; R390-P394 WeakPolarHBondContact O-CG 3.48Å |
| 391 | F | 94.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -93.1 | -37.3 | 178.7 | -58 | -87.3 | 0 | 0 | 0 | 112 | Y342 N344 Y345 V347 V355 P357 A387 V388 Q389 L584 L586 | Y342-F391 HydrophobicContact CD1-CE1 4.28Å; Y342-F391 HydrophobicContact CG-CE1 4.11Å; N344-F391 HydrophobicContact CB-CZ 4.19Å; Y345-F391 HydrophobicContact CD2-CE2 4.14Å; Y345-F391 HydrophobicContact CD2-CZ 4.14Å; V347-F391 HydrophobicContact CB-CE2 4.16Å; V347-F391 HydrophobicContact CG1-CD2 4.18Å; V347-F391 HydrophobicContact CG1-CE2 4.11Å; V355-F391 HydrophobicContact CG1-CB 4.23Å; V355-F391 HydrophobicContact CG1-CD1 4.31Å; V355-F391 WeakPolarHBondContact CG1-O 3.3Å; P357-F391 HydrophobicContact CB-CD1 3.85Å; P357-F391 HydrophobicContact CB-CE1 3.8Å; P357-F391 HydrophobicContact CB-CG 4.33Å; P357-F391 HydrophobicContact CB-CZ 4.25Å; P357-F391 HydrophobicContact CG-CD1 4.4Å; P357-F391 HydrophobicContact CG-CE1 3.97Å; P357-F391 HydrophobicContact CG-CZ 4.5Å; A387-F391 WeakPolarHBondContact O-CD2 3.41Å; V388-F391 PolarHBondContact O-N 2.95Å; Q389-F391 PolarHBondContact O-N 3.46Å; F391-L584 HydrophobicContact CB-CD2 4.06Å; F391-L584 WeakPolarHBondContact O-CD2 3.12Å; F391-L586 HydrophobicContact CB-CD1 4.08Å; F391-L586 HydrophobicContact CB-CD2 3.8Å; F391-L586 HydrophobicContact CD2-CD2 4.34Å; F391-L586 HydrophobicContact CG-CD2 4.19Å |
| 392 | A | 95.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.3 | -46.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V388 Q389 H395 V396 V402 L586 | V388-A392 WeakPolarHBondContact O-CB 3.31Å; V388-A392 PolarHBondContact O-N 3.49Å; Q389-A392 PolarHBondContact O-N 2.79Å; A392-H395 PolarHBondContact O-N 2.87Å; A392-V396 VanDerWaalsContact O-CB 3.26Å; A392-V396 WeakPolarHBondContact O-CB 3.17Å; A392-V396 WeakPolarHBondContact O-CG2 3.47Å; A392-V396 PolarHBondContact O-N 3.47Å; A392-V402 HydrophobicContact CB-CG2 4.41Å; A392-L586 HydrophobicContact CB-CD1 3.88Å |
| 393 | W | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -54.8 | -54.9 | -179 | -68.4 | -18.7 | 0 | 0 | 0 | 113.4 | L361 A364 I367 M375 A381 A385 Q389 H395 V396 S397 W414 | L361-W393 HydrophobicContact CD2-CE3 4.25Å; L361-W393 HydrophobicContact CD2-CH2 3.61Å; L361-W393 HydrophobicContact CD2-CZ2 4.3Å; L361-W393 HydrophobicContact CD2-CZ3 3.58Å; L361-W393 HydrophobicContact CG-CH2 3.91Å; L361-W393 HydrophobicContact CG-CZ3 3.89Å; A364-W393 HydrophobicContact CB-CB 4.26Å; A364-W393 HydrophobicContact CB-CE3 4.04Å; I367-W393 HydrophobicContact CD1-CB 4.2Å; I367-W393 HydrophobicContact CD1-CD2 4.28Å; I367-W393 HydrophobicContact CD1-CG 4.05Å; M375-W393 HydrophobicContact CE-CH2 3.99Å; M375-W393 HydrophobicContact CE-CZ2 3.51Å; A381-W393 HydrophobicContact CB-CH2 3.76Å; A381-W393 HydrophobicContact CB-CZ3 4.47Å; A385-W393 HydrophobicContact CB-CE3 4.12Å; A385-W393 HydrophobicContact CB-CH2 4.01Å; A385-W393 HydrophobicContact CB-CZ3 3.51Å; Q389-W393 HydrophobicContact CB-CD2 4.11Å; Q389-W393 HydrophobicContact CB-CH2 4.37Å; Q389-W393 HydrophobicContact CB-CZ2 3.92Å; Q389-W393 HydrophobicContact CG-CZ2 4.17Å; Q389-W393 WeakPolarHBondContact O-CB 3.41Å; Q389-W393 PolarHBondContact O-N 3.16Å; W393-H395 PolarHBondContact O-N 2.97Å; W393-V396 PolarHBondContact O-N 3.38Å; W393-S397 VanDerWaalsContact O-CB 3.26Å; W393-S397 WeakPolarHBondContact O-CB 3.38Å; W393-S397 PolarHBondContact O-N 2.98Å; W393-S397 PolarHBondContact O-OG 2.62Å; W393-S397 VanDerWaalsContact O-OG 3.06Å; W393-W414 PolarHBondContact NE1-O 2.73Å |
| 394 | P | 92.7 | Very high | 92.6 | Very high | 13 Ų | 13 | 21.9 Ų | 21.9 | 8% | 0.084 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.4 | -16.7 | 179.9 | 25.3 | -34.5 | 0 | 0 | 0 | 115 | V355 V356 P365 R390 L398 | V355-P394 HydrophobicContact CG1-CG 4.4Å; V356-P394 VanDerWaalsContact O-CG 3.32Å; V356-P394 WeakPolarHBondContact O-CG 3.26Å; P365-P394 HydrophobicContact CG-CB 3.78Å; R390-P394 VanDerWaalsContact O-CD 3.32Å; R390-P394 WeakPolarHBondContact O-CD 3.48Å; R390-P394 WeakPolarHBondContact O-CG 3.48Å; P394-L398 WeakPolarHBondContact O-CD1 3.26Å; P394-L398 WeakPolarHBondContact O-CG 3.48Å |
| 395 | H | 92.8 | Very high | 93 | Very high | 5 Ų | 5 | 14.6 Ų | 14.6 | 2% | 0.023 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -91 | -42.6 | 176.1 | -176.2 | 92 | 0 | 0 | 0 | 111.9 | V355 A392 W393 L398 K400 S401 D582 L584 | V355-H395 HydrophobicContact CG1-CB 4.48Å; V355-H395 HydrophobicContact CG2-CB 4.36Å; A392-H395 PolarHBondContact O-N 2.87Å; W393-H395 PolarHBondContact O-N 2.97Å; H395-L398 PolarHBondContact O-N 2.91Å; H395-K400 WeakPolarHBondContact NE2-CB 3.14Å; H395-K400 PolarHBondContact O-N 2.95Å; H395-S401 PolarHBondContact CD2-O 3.02Å; H395-S401 PolarHBondContact NE2-O 2.9Å; H395-D582 PolarHBondContact CE1-O 3.11Å; H395-D582 PolarHBondContact NE2-O 2.93Å; H395-L584 HydrophobicContact CB-CB 4.47Å; H395-L584 HydrophobicContact CB-CD2 3.65Å; H395-L584 VanDerWaalsContact CD2-CB 3.43Å; H395-L584 WeakPolarHBondContact CD2-CB 3.39Å; H395-L584 VanDerWaalsContact NE2-CB 3.34Å; H395-L584 WeakPolarHBondContact NE2-CB 3.34Å; H395-L584 PolarHBondContact NE2-N 3.24Å |
| 396 | V | 93.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -71.1 | -36.2 | 179.7 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | A392 W393 L398 G399 V402 T419 Q559 L561 | A392-V396 VanDerWaalsContact O-CB 3.26Å; A392-V396 WeakPolarHBondContact O-CB 3.17Å; A392-V396 WeakPolarHBondContact O-CG2 3.47Å; A392-V396 PolarHBondContact O-N 3.47Å; W393-V396 PolarHBondContact O-N 3.38Å; V396-L398 PolarHBondContact O-N 3.45Å; V396-G399 WeakPolarHBondContact O-CA 3.44Å; V396-G399 PolarHBondContact O-N 3.45Å; V396-V402 HydrophobicContact CG2-CB 3.75Å; V396-V402 HydrophobicContact CG2-CG1 3.58Å; V396-V402 HydrophobicContact CG2-CG2 4.31Å; V396-T419 HydrophobicContact CG1-CG2 4.01Å; V396-Q559 PolarHBondContact O-NE2 3.06Å; V396-L561 HydrophobicContact CG1-CD2 4.03Å; V396-L561 HydrophobicContact CG2-CD2 4.14Å |
| 397 | S | 89.8 | Confident | 92.8 | Very high | 2 Ų | 2 | 11.6 Ų | 11.6 | 1% | 0.014 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -21.3 | 178 | 71.9 | 0 | 0 | 0 | 0 | 113.7 | P365 W393 G399 R423 | P365-S397 WeakPolarHBondContact O-CB 3.31Å; P365-S397 PolarHBondContact O-OG 2.9Å; W393-S397 VanDerWaalsContact O-CB 3.26Å; W393-S397 WeakPolarHBondContact O-CB 3.38Å; W393-S397 PolarHBondContact O-N 2.98Å; W393-S397 PolarHBondContact O-OG 2.62Å; W393-S397 VanDerWaalsContact O-OG 3.06Å; S397-G399 VanDerWaalsContact C-N 3.31Å; S397-R423 PolarHBondContact O-NH2 2.87Å |
| 398 | L | 88.6 | Confident | 92.3 | Very high | 86 Ų | 86 | 15 Ų | 15 | 45% | 0.45 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -0.2 | 168.6 | -62.9 | 176.4 | 0 | 0 | 0 | 113.9 | P394 H395 V396 | P394-L398 WeakPolarHBondContact O-CD1 3.26Å; P394-L398 WeakPolarHBondContact O-CG 3.48Å; H395-L398 PolarHBondContact O-N 2.91Å; V396-L398 PolarHBondContact O-N 3.45Å |
| 399 | G | 88.8 | Confident | 91.6 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 4% | 0.041 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 15.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V396 S397 R423 Q559 | V396-G399 WeakPolarHBondContact O-CA 3.44Å; V396-G399 PolarHBondContact O-N 3.45Å; S397-G399 VanDerWaalsContact C-N 3.31Å; G399-R423 VanDerWaalsContact CA-NH1 3.27Å; G399-Q559 VanDerWaalsContact C-CD 3.48Å; G399-Q559 VanDerWaalsContact C-NE2 3.26Å |
| 400 | K | 91.8 | Very high | 91.1 | Very high | 26 Ų | 26 | 24.4 Ų | 24.4 | 11% | 0.113 | 12% | 0.123 | C | C | . | . | trans | -91 | 146.3 | 177.8 | -60.7 | -175.1 | 179.4 | -176.6 | 0 | 111.6 | H353 H395 Q555 Q559 | H353-K400 PolarHBondContact CE1-NZ 3.19Å; H353-K400 PolarHBondContact ND1-NZ 3.45Å; H395-K400 WeakPolarHBondContact NE2-CB 3.14Å; H395-K400 PolarHBondContact O-N 2.95Å; K400-Q555 VanDerWaalsContact CE-OE1 3.31Å; K400-Q555 HydrophobicContact CG-CG 4.16Å; K400-Q559 PolarHBondContact O-NE2 2.94Å | ||
| 401 | S | 94.4 | Very high | 90.8 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 3% | 0.028 | 13% | 0.125 | C | C | . | . | trans | -67.9 | 148.7 | -176.1 | -61.6 | 0 | 0 | 0 | 0 | 112.3 | H395 L560 V583 L584 | H395-S401 PolarHBondContact CD2-O 3.02Å; H395-S401 PolarHBondContact NE2-O 2.9Å; S401-L560 WeakPolarHBondContact CA-O 3.18Å; S401-L560 WeakPolarHBondContact CB-O 3.28Å; S401-L560 PolarHBondContact OG-N 3.12Å; S401-L560 VanDerWaalsContact OG-N 3.16Å; S401-L560 PolarHBondContact OG-O 3.32Å; S401-V583 WeakPolarHBondContact O-CA 3.26Å; S401-L584 PolarHBondContact O-N 3.42Å | ||
| 402 | V | 95.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 140.9 | -179 | 79.4 | 0 | 0 | 0 | 0 | 111.8 | A392 V396 V404 Y416 L560 L561 V562 M580 L584 L586 | A392-V402 HydrophobicContact CB-CG2 4.41Å; V396-V402 HydrophobicContact CG2-CB 3.75Å; V396-V402 HydrophobicContact CG2-CG1 3.58Å; V396-V402 HydrophobicContact CG2-CG2 4.31Å; V402-V404 HydrophobicContact CG1-CG2 4.29Å; V402-V404 HydrophobicContact CG2-CG2 3.91Å; V402-Y416 HydrophobicContact CG1-CD1 4.34Å; V402-L560 PolarHBondContact N-O 3.39Å; V402-L561 HydrophobicContact CG1-CD2 3.76Å; V402-V562 PolarHBondContact O-N 3.17Å; V402-M580 VanDerWaalsContact O-CE 3.27Å; V402-M580 WeakPolarHBondContact O-CE 3.44Å; V402-L584 WeakPolarHBondContact CA-O 3.35Å; V402-L584 HydrophobicContact CG2-CB 4.22Å; V402-L584 HydrophobicContact CG2-CD2 4.27Å; V402-L584 HydrophobicContact CG2-CG 4.29Å; V402-L584 VanDerWaalsContact CG2-O 3.3Å; V402-L584 WeakPolarHBondContact CG2-O 3.4Å; V402-L586 HydrophobicContact CG2-CD1 4.48Å |
| 403 | L | 96.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 110.3 | 173 | 171.9 | 56.3 | 0 | 0 | 0 | 109 | V405 V562 W567 M572 I576 L577 M580 V583 L584 V585 L586 | L403-V405 HydrophobicContact CD1-CG2 4.1Å; L403-V405 HydrophobicContact CG-CG2 4.3Å; L403-V562 CarbonylContact C-O 3.56Å; L403-V562 WeakPolarHBondContact CA-O 3.29Å; L403-V562 HydrophobicContact CD1-CB 3.74Å; L403-V562 HydrophobicContact CD1-CG1 3.6Å; L403-W567 HydrophobicContact CD2-CH2 4.1Å; L403-W567 HydrophobicContact CD2-CZ3 3.66Å; L403-W567 HydrophobicContact CG-CZ3 4.49Å; L403-M572 HydrophobicContact CD1-CE 4.4Å; L403-M572 HydrophobicContact CD1-SD 4.03Å; L403-M572 HydrophobicContact CD2-SD 4.07Å; L403-I576 HydrophobicContact CD2-CG2 4.43Å; L403-L577 HydrophobicContact CD2-CD2 3.98Å; L403-M580 HydrophobicContact CB-CE 4.24Å; L403-V583 HydrophobicContact CB-CG2 4.02Å; L403-L584 PolarHBondContact N-O 3.03Å; L403-V585 HydrophobicContact CB-CG1 4.48Å; L403-V585 HydrophobicContact CB-CG2 4.44Å; L403-V585 HydrophobicContact CD2-CG1 4.25Å; L403-V585 HydrophobicContact CD2-CG2 4.45Å; L403-V585 HydrophobicContact CG-CG1 4.27Å; L403-V585 CarbonylContact O-C 3.38Å; L403-V585 WeakPolarHBondContact O-CA 3.44Å; L403-L586 PolarHBondContact O-N 3.36Å |
| 404 | V | 96.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 117.7 | -176.9 | -168.8 | 0 | 0 | 0 | 0 | 110.6 | V388 V402 K412 V562 S563 G564 L586 | V388-V404 HydrophobicContact CB-CG1 4.02Å; V388-V404 HydrophobicContact CG1-CG1 4.03Å; V388-V404 HydrophobicContact CG2-CG1 4.17Å; V402-V404 HydrophobicContact CG1-CG2 4.29Å; V402-V404 HydrophobicContact CG2-CG2 3.91Å; V404-K412 HydrophobicContact CB-CD 4.45Å; V404-K412 HydrophobicContact CB-CG 4.42Å; V404-K412 HydrophobicContact CG1-CB 4.39Å; V404-K412 HydrophobicContact CG1-CD 4.21Å; V404-K412 HydrophobicContact CG1-CG 3.88Å; V404-K412 WeakPolarHBondContact O-CD 3.3Å; V404-V562 PolarHBondContact N-O 3Å; V404-S563 CarbonylContact O-C 3.56Å; V404-S563 WeakPolarHBondContact O-CA 3.36Å; V404-G564 PolarHBondContact O-N 3.36Å; V404-L586 HydrophobicContact CG1-CB 4.38Å; V404-L586 HydrophobicContact CG2-CD1 4.34Å |
| 405 | V | 95.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 138 | -178.6 | -179.6 | 0 | 0 | 0 | 0 | 110.6 | L403 W567 L586 F587 D588 E592 | L403-V405 HydrophobicContact CD1-CG2 4.1Å; L403-V405 HydrophobicContact CG-CG2 4.3Å; V405-W567 HydrophobicContact CG2-CE3 4.15Å; V405-L586 PolarHBondContact N-O 3.24Å; V405-F587 HydrophobicContact CB-CD1 4.01Å; V405-F587 HydrophobicContact CB-CE1 4.21Å; V405-F587 HydrophobicContact CG1-CD1 4.17Å; V405-F587 HydrophobicContact CG1-CE1 4.34Å; V405-F587 WeakPolarHBondContact O-CA 3.41Å; V405-D588 PolarHBondContact O-N 3.25Å; V405-D588 VanDerWaalsContact O-N 3.08Å; V405-E592 HydrophobicContact CG1-CB 4.39Å |
| 406 | G | 91.4 | Very high | 91 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | 151.3 | -174.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | K412 G564 R565 | G406-K412 PolarHBondContact O-NZ 3.25Å; G406-G564 PolarHBondContact N-O 2.97Å; G406-G564 VanDerWaalsContact O-O 3.12Å; G406-R565 WeakPolarHBondContact O-CA 3.42Å | ||
| 407 | N | 85.8 | Confident | 91.1 | Very high | 64 Ų | 64 | 25.7 Ų | 25.7 | 34% | 0.342 | 13% | 0.131 | S | C | . | . | trans | -58.7 | 173 | -167.3 | -62.7 | -79.1 | 0 | 0 | 0 | 115.1 | I410 K412 D589 K710 | N407-I410 HydrophobicContact CB-CG2 4Å; N407-K412 PolarHBondContact O-NZ 3.13Å; N407-D589 PolarHBondContact ND2-OD2 3.09Å; N407-D589 PolarHBondContact OD1-OD2 2.73Å; N407-K710 PolarHBondContact OD1-NZ 2.96Å | ||
| 408 | L | 79.4 | Confident | 91.4 | Very high | 95 Ų | 95 | 25.6 Ų | 25.6 | 50% | 0.497 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 156.7 | 165.5 | -86.6 | 179.9 | 0 | 0 | 0 | 110.8 | I410 | L408-I410 PolarHBondContact O-N 2.85Š|
| 409 | Q | 79.7 | Confident | 91.6 | Very high | 178 Ų | 178 | 21.8 Ų | 21.8 | 83% | 0.832 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 4.2 | 172.7 | -58.7 | -178.5 | 3 | 0 | 0 | 117.3 | R386 G411 | R386-Q409 PolarHBondContact NH1-O 3.14Å; Q409-G411 PolarHBondContact O-N 3.46Å |
| 410 | I | 82.9 | Confident | 91.9 | Very high | 23 Ų | 23 | 21.8 Ų | 21.8 | 12% | 0.118 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -65.8 | -18.2 | 175 | 70.3 | 171.3 | 0 | 0 | 0 | 113.2 | R386 V388 N407 L408 K412 D588 | R386-I410 WeakPolarHBondContact CD-O 3.37Å; R386-I410 PolarHBondContact NH1-O 3.45Å; V388-I410 HydrophobicContact CG2-CD1 4.39Å; N407-I410 HydrophobicContact CB-CG2 4Å; L408-I410 PolarHBondContact O-N 2.85Å; I410-K412 HydrophobicContact CD1-CD 4.15Å; I410-K412 HydrophobicContact CD1-CG 3.64Å; I410-K412 HydrophobicContact CG1-CD 4.4Å; I410-K412 HydrophobicContact CG1-CG 3.54Å; I410-D588 HydrophobicContact CD1-CB 3.48Å; I410-D588 VanDerWaalsContact CD1-CB 3.48Å; I410-D588 WeakPolarHBondContact CG2-OD2 3.28Å |
| 411 | G | 87.7 | Confident | 92 | Very high | 8 Ų | 8 | 20.5 Ų | 20.5 | 8% | 0.082 | 10% | 0.104 | C | C | . | . | trans | 100.9 | 28.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q389 Q409 W414 S415 | Q389-G411 PolarHBondContact NE2-O 3.48Å; Q409-G411 PolarHBondContact O-N 3.46Å; G411-W414 CarbonylContact O-C 3.59Å; G411-W414 WeakPolarHBondContact O-CB 3.37Å; G411-W414 PolarHBondContact O-N 2.74Å; G411-S415 PolarHBondContact O-N 3.49Å; G411-S415 VanDerWaalsContact O-N 3.08Å; G411-S415 PolarHBondContact O-OG 2.89Å | ||
| 412 | K | 93.9 | Very high | 92 | Very high | 9 Ų | 9 | 21.2 Ų | 21.2 | 4% | 0.039 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -53.3 | -56.4 | -179.6 | -61.9 | -164.1 | -71 | -95.4 | 0 | 113.5 | V404 G406 N407 I410 W414 S415 Y416 N528 S563 G564 | V404-K412 HydrophobicContact CB-CD 4.45Å; V404-K412 HydrophobicContact CB-CG 4.42Å; V404-K412 HydrophobicContact CG1-CB 4.39Å; V404-K412 HydrophobicContact CG1-CD 4.21Å; V404-K412 HydrophobicContact CG1-CG 3.88Å; V404-K412 WeakPolarHBondContact O-CD 3.3Å; G406-K412 PolarHBondContact O-NZ 3.25Å; N407-K412 PolarHBondContact O-NZ 3.13Å; I410-K412 HydrophobicContact CD1-CD 4.15Å; I410-K412 HydrophobicContact CD1-CG 3.64Å; I410-K412 HydrophobicContact CG1-CD 4.4Å; I410-K412 HydrophobicContact CG1-CG 3.54Å; K412-W414 VanDerWaalsContact C-N 3.27Å; K412-W414 PolarHBondContact O-N 3.39Å; K412-S415 WeakPolarHBondContact O-CA 3.47Å; K412-S415 WeakPolarHBondContact O-CB 3.45Å; K412-S415 PolarHBondContact O-N 2.8Å; K412-S415 PolarHBondContact O-OG 2.98Å; K412-Y416 WeakPolarHBondContact O-CE1 3.47Å; K412-N528 WeakPolarHBondContact CE-OD1 3.37Å; K412-S563 WeakPolarHBondContact CB-OG 3.21Å; K412-S563 WeakPolarHBondContact CD-OG 3.17Å; K412-S563 WeakPolarHBondContact CE-OG 3.46Å; K412-G564 WeakPolarHBondContact CD-O 3.41Å; K412-G564 WeakPolarHBondContact CE-O 3.27Å; K412-G564 PolarHBondContact NZ-O 3.36Å |
| 413 | T | 94.9 | Very high | 91.8 | Very high | 17 Ų | 17 | 25.4 Ų | 25.4 | 10% | 0.104 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -53.4 | -46.2 | 177.1 | -34.9 | 0 | 0 | 0 | 0 | 111.3 | S415 Y416 L417 F442 I453 W456 D527 | T413-S415 PolarHBondContact O-N 2.85Å; T413-S415 VanDerWaalsContact O-N 3.13Å; T413-Y416 PolarHBondContact O-N 3.42Å; T413-L417 HydrophobicContact CG2-CB 4.35Å; T413-L417 HydrophobicContact CG2-CD2 4.28Å; T413-L417 WeakPolarHBondContact O-CB 3.39Å; T413-L417 PolarHBondContact O-N 3.4Å; T413-F442 HydrophobicContact CG2-CZ 4.05Å; T413-I453 HydrophobicContact CG2-CD1 4.23Å; T413-I453 HydrophobicContact CG2-CG1 4.25Å; T413-W456 HydrophobicContact CG2-CZ3 4.29Å; T413-D527 WeakPolarHBondContact CB-OD2 3.46Å; T413-D527 WeakPolarHBondContact CG2-OD2 3.49Å; T413-D527 PolarHBondContact OG1-OD2 2.85Å |
| 414 | W | 94.5 | Very high | 91.7 | Very high | 23 Ų | 23 | 25.6 Ų | 25.6 | 9% | 0.087 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -66.2 | -9.8 | 176.2 | -76.6 | 105.4 | 0 | 0 | 0 | 115.1 | M375 M378 V380 Q389 W393 G411 K412 Y416 L417 P418 W456 L460 | M375-W414 HydrophobicContact CE-CE3 4.21Å; M375-W414 HydrophobicContact CE-CZ3 4.49Å; M375-W414 HydrophobicContact CG-CZ3 4.05Å; M378-W414 HydrophobicContact CE-CH2 3.7Å; M378-W414 HydrophobicContact CE-CZ3 4.46Å; M378-W414 HydrophobicContact SD-CH2 3.74Å; M378-W414 HydrophobicContact SD-CZ2 4.09Å; V380-W414 HydrophobicContact CG1-CD2 4.26Å; V380-W414 HydrophobicContact CG1-CE3 4.12Å; V380-W414 HydrophobicContact CG2-CD2 3.86Å; V380-W414 HydrophobicContact CG2-CE3 3.95Å; V380-W414 HydrophobicContact CG2-CH2 4Å; V380-W414 HydrophobicContact CG2-CZ2 3.88Å; V380-W414 HydrophobicContact CG2-CZ3 4.02Å; Q389-W414 VanDerWaalsContact NE2-CB 3.32Å; W393-W414 PolarHBondContact NE1-O 2.73Å; G411-W414 CarbonylContact O-C 3.59Å; G411-W414 WeakPolarHBondContact O-CB 3.37Å; G411-W414 PolarHBondContact O-N 2.74Å; K412-W414 VanDerWaalsContact C-N 3.27Å; K412-W414 PolarHBondContact O-N 3.39Å; W414-Y416 PolarHBondContact O-N 2.86Å; W414-L417 HydrophobicContact CH2-CD2 4.46Å; W414-P418 HydrophobicContact CE3-CG 3.87Å; W414-P418 HydrophobicContact CZ3-CG 4.08Å; W414-W456 HydrophobicContact CH2-CB 4.17Å; W414-W456 HydrophobicContact CH2-CG 4.31Å; W414-W456 HydrophobicContact CZ2-CB 3.89Å; W414-W456 AromaticContact CZ2-CD1 3.77Å; W414-W456 AromaticContact CZ2-CD2 3.81Å; W414-W456 HydrophobicContact CZ2-CD2 3.81Å; W414-W456 HydrophobicContact CZ2-CE3 4.4Å; W414-W456 AromaticContact CZ2-CG 3.56Å; W414-W456 HydrophobicContact CZ2-CG 3.56Å; W414-W456 AromaticContact NE1-CD2 3.89Å; W414-W456 AromaticContact NE1-CE2 3.85Å; W414-W456 AromaticContact NE1-CE3 3.95Å; W414-W456 AromaticContact NE1-CZ2 3.91Å; W414-L460 HydrophobicContact CH2-CD1 4.15Å; W414-L460 HydrophobicContact CH2-CD2 4.44Å; W414-L460 HydrophobicContact CH2-CG 4.42Å; W414-L460 HydrophobicContact CZ3-CD1 4.01Å; W414-L460 HydrophobicContact CZ3-CD2 4.17Å; W414-L460 HydrophobicContact CZ3-CG 4.47Å |
| 415 | S | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -75.9 | -12.5 | 174.4 | -54.4 | 0 | 0 | 0 | 0 | 112.7 | Q389 G411 K412 T413 | Q389-S415 WeakPolarHBondContact CG-OG 3.24Å; G411-S415 PolarHBondContact O-N 3.49Å; G411-S415 VanDerWaalsContact O-N 3.08Å; G411-S415 PolarHBondContact O-OG 2.89Å; K412-S415 WeakPolarHBondContact O-CA 3.47Å; K412-S415 WeakPolarHBondContact O-CB 3.45Å; K412-S415 PolarHBondContact O-N 2.8Å; K412-S415 PolarHBondContact O-OG 2.98Å; T413-S415 PolarHBondContact O-N 2.85Å; T413-S415 VanDerWaalsContact O-N 3.13Å |
| 416 | Y | 95.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -143.3 | -27 | 177.9 | 54.7 | -97.4 | 0 | 0 | 0 | 114.9 | V402 K412 T413 W414 P418 T419 V420 F442 A525 D527 L561 | V402-Y416 HydrophobicContact CG1-CD1 4.34Å; K412-Y416 WeakPolarHBondContact O-CE1 3.47Å; T413-Y416 PolarHBondContact O-N 3.42Å; W414-Y416 PolarHBondContact O-N 2.86Å; Y416-P418 VanDerWaalsContact C-N 3.35Å; Y416-P418 VanDerWaalsContact O-N 3.17Å; Y416-T419 WeakPolarHBondContact O-CB 3.38Å; Y416-T419 PolarHBondContact O-N 2.83Å; Y416-V420 HydrophobicContact CD2-CG2 4.03Å; Y416-V420 PolarHBondContact O-N 2.81Å; Y416-F442 AromaticContact CE2-CE2 3.84Å; Y416-F442 HydrophobicContact CE2-CE2 3.84Å; Y416-F442 AromaticContact CE2-CZ 3.93Å; Y416-F442 HydrophobicContact CE2-CZ 3.93Å; Y416-A525 HydrophobicContact CE2-CB 4.12Å; Y416-D527 VanDerWaalsContact OH-CB 3.3Å; Y416-D527 WeakPolarHBondContact OH-CB 3.33Å; Y416-D527 VanDerWaalsContact OH-CG 3.26Å; Y416-D527 PolarHBondContact OH-OD1 2.85Å; Y416-L561 HydrophobicContact CD2-CB 4.23Å; Y416-L561 HydrophobicContact CD2-CD1 3.76Å; Y416-L561 HydrophobicContact CE2-CB 4.46Å; Y416-L561 HydrophobicContact CG-CB 4.27Å; Y416-L561 HydrophobicContact CG-CD1 4.01Å |
| 417 | L | 95.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -48.3 | -42 | -178.5 | -176.9 | 67.5 | 0 | 0 | 0 | 115 | T413 W414 T419 V420 C421 F442 I453 W456 M457 L460 | T413-L417 HydrophobicContact CG2-CB 4.35Å; T413-L417 HydrophobicContact CG2-CD2 4.28Å; T413-L417 WeakPolarHBondContact O-CB 3.39Å; T413-L417 PolarHBondContact O-N 3.4Å; W414-L417 HydrophobicContact CH2-CD2 4.46Å; L417-T419 VanDerWaalsContact C-N 3.32Å; L417-T419 PolarHBondContact O-N 2.71Å; L417-V420 PolarHBondContact O-N 3.02Å; L417-C421 PolarHBondContact O-N 3.31Å; L417-C421 PolarHBondContact O-SG 2.75Å; L417-C421 VanDerWaalsContact O-SG 3.39Å; L417-F442 HydrophobicContact CD1-CE2 3.97Å; L417-I453 HydrophobicContact CD1-CG2 4.37Å; L417-W456 HydrophobicContact CD2-CB 3.77Å; L417-W456 HydrophobicContact CD2-CE3 4.01Å; L417-M457 HydrophobicContact CD1-CE 3.69Å; L417-M457 HydrophobicContact CD1-CG 3.84Å; L417-L460 HydrophobicContact CD2-CD1 4.13Å; L417-L460 HydrophobicContact CG-CD1 3.86Å |
| 418 | P | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60 | -41.7 | 177.2 | -22.4 | 33.4 | 0 | 0 | 0 | 113 | I371 M375 W414 Y416 Q422 | I371-P418 HydrophobicContact CG2-CB 3.68Å; M375-P418 HydrophobicContact CE-CB 4.18Å; M375-P418 HydrophobicContact CE-CG 3.43Å; M375-P418 VanDerWaalsContact CE-CG 3.43Å; M375-P418 HydrophobicContact CG-CG 4.33Å; M375-P418 HydrophobicContact SD-CB 3.54Å; M375-P418 VanDerWaalsContact SD-CB 3.54Å; M375-P418 HydrophobicContact SD-CG 3.46Å; M375-P418 WeakPolarHBondContact SD-CG 3.44Å; W414-P418 HydrophobicContact CE3-CG 3.87Å; W414-P418 HydrophobicContact CZ3-CG 4.08Å; Y416-P418 VanDerWaalsContact C-N 3.35Å; Y416-P418 VanDerWaalsContact O-N 3.17Å; P418-Q422 WeakPolarHBondContact O-CB 3.33Å; P418-Q422 PolarHBondContact O-N 3.3Å; P418-Q422 VanDerWaalsContact O-N 3.11Å |
| 419 | T | 93.1 | Very high | 92.1 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 4% | 0.037 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -70.8 | -39.2 | 178 | -50.5 | 0 | 0 | 0 | 0 | 111.3 | V396 Y416 L417 Q422 R423 | V396-T419 HydrophobicContact CG1-CG2 4.01Å; Y416-T419 WeakPolarHBondContact O-CB 3.38Å; Y416-T419 PolarHBondContact O-N 2.83Å; L417-T419 VanDerWaalsContact C-N 3.32Å; L417-T419 PolarHBondContact O-N 2.71Å; T419-Q422 PolarHBondContact O-N 2.98Å; T419-R423 HydrophobicContact CG2-CG 4.15Å; T419-R423 WeakPolarHBondContact O-CB 3.44Å; T419-R423 WeakPolarHBondContact O-CG 3.23Å; T419-R423 PolarHBondContact O-N 2.8Å |
| 420 | V | 95 | Very high | 92.6 | Very high | 4 Ų | 4 | 25.9 Ų | 25.9 | 2% | 0.024 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.2 | -50.8 | 175.1 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | Y416 L417 S424 C440 F442 I495 L561 | Y416-V420 HydrophobicContact CD2-CG2 4.03Å; Y416-V420 PolarHBondContact O-N 2.81Å; L417-V420 PolarHBondContact O-N 3.02Å; V420-S424 WeakPolarHBondContact O-CB 3.39Å; V420-S424 PolarHBondContact O-N 3.44Å; V420-S424 PolarHBondContact O-OG 3.13Å; V420-C440 HydrophobicContact CG1-CB 4.38Å; V420-F442 HydrophobicContact CG1-CD2 4.49Å; V420-I495 HydrophobicContact CG1-CD1 4.21Å; V420-L561 HydrophobicContact CG2-CD1 3.31Å |
| 421 | C | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.1 | -49.8 | 178.8 | -66.7 | 0 | 0 | 0 | 0 | 111.6 | L417 H425 L460 L461 | L417-C421 PolarHBondContact O-N 3.31Å; L417-C421 PolarHBondContact O-SG 2.75Å; L417-C421 VanDerWaalsContact O-SG 3.39Å; C421-H425 WeakPolarHBondContact O-CB 3.49Å; C421-H425 PolarHBondContact O-N 2.72Å; C421-H425 VanDerWaalsContact O-N 3.07Å; C421-L460 HydrophobicContact CB-CB 3.88Å; C421-L460 HydrophobicContact CB-CD1 4.1Å; C421-L460 VanDerWaalsContact SG-CD1 3.53Å; C421-L461 HydrophobicContact CB-CD2 3.88Å; C421-L461 HydrophobicContact CB-CG 4.07Å; C421-L461 WeakPolarHBondContact O-CD2 3.25Å |
| 422 | Q | 93.6 | Very high | 92.5 | Very high | 19 Ų | 19 | 30.1 Ų | 30.1 | 9% | 0.089 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.4 | -52.7 | -178.9 | -165.5 | -174.7 | -60.5 | 0 | 0 | 112.3 | D366 S368 I371 P418 T419 H425 E426 | D366-Q422 PolarHBondContact O-NE2 3.46Å; S368-Q422 VanDerWaalsContact CB-OE1 3.24Å; S368-Q422 PolarHBondContact OG-OE1 3.03Å; I371-Q422 HydrophobicContact CD1-CB 4.48Å; I371-Q422 HydrophobicContact CG1-CB 4.09Å; I371-Q422 HydrophobicContact CG1-CG 4.22Å; P418-Q422 WeakPolarHBondContact O-CB 3.33Å; P418-Q422 PolarHBondContact O-N 3.3Å; P418-Q422 VanDerWaalsContact O-N 3.11Å; T419-Q422 PolarHBondContact O-N 2.98Å; Q422-H425 PolarHBondContact O-N 3.41Å; Q422-E426 HydrophobicContact CG-CG 4.44Å; Q422-E426 WeakPolarHBondContact CG-OE1 3.44Å; Q422-E426 PolarHBondContact NE2-OE1 3Å; Q422-E426 WeakPolarHBondContact O-CB 3.45Å; Q422-E426 WeakPolarHBondContact O-CG 3.34Å; Q422-E426 PolarHBondContact O-N 3.33Å |
| 423 | R | 92.1 | Very high | 91.8 | Very high | 88 Ų | 88 | 35.9 Ų | 35.9 | 33% | 0.332 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.7 | -41.8 | -178.2 | -72.4 | -176.3 | 165.3 | -134.6 | -8.6 | 112.2 | S397 G399 T419 H425 E426 D427 | S397-R423 PolarHBondContact O-NH2 2.87Å; G399-R423 VanDerWaalsContact CA-NH1 3.27Å; T419-R423 HydrophobicContact CG2-CG 4.15Å; T419-R423 WeakPolarHBondContact O-CB 3.44Å; T419-R423 WeakPolarHBondContact O-CG 3.23Å; T419-R423 PolarHBondContact O-N 2.8Å; R423-H425 VanDerWaalsContact C-N 3.28Å; R423-H425 PolarHBondContact O-N 3Å; R423-E426 PolarHBondContact O-N 2.97Å; R423-D427 WeakPolarHBondContact O-CB 3.47Å; R423-D427 PolarHBondContact O-N 2.91Å |
| 424 | S | 93.8 | Very high | 91.1 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 3% | 0.028 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.8 | -38.3 | 179.6 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | V420 L428 C440 | V420-S424 WeakPolarHBondContact O-CB 3.39Å; V420-S424 PolarHBondContact O-N 3.44Å; V420-S424 PolarHBondContact O-OG 3.13Å; S424-L428 WeakPolarHBondContact O-CB 3.39Å; S424-L428 PolarHBondContact O-N 2.96Å; S424-C440 WeakPolarHBondContact OG-CB 3.41Å |
| 425 | H | 93.3 | Very high | 90.5 | Very high | 17 Ų | 17 | 40.7 Ų | 40.7 | 8% | 0.079 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.4 | -51.5 | 173.9 | 177.5 | 82.9 | 0 | 0 | 0 | 112.1 | C421 Q422 R423 D427 L428 Q429 L461 L464 G465 D472 | C421-H425 WeakPolarHBondContact O-CB 3.49Å; C421-H425 PolarHBondContact O-N 2.72Å; C421-H425 VanDerWaalsContact O-N 3.07Å; Q422-H425 PolarHBondContact O-N 3.41Å; R423-H425 VanDerWaalsContact C-N 3.28Å; R423-H425 PolarHBondContact O-N 3Å; H425-D427 VanDerWaalsContact C-N 3.3Å; H425-D427 PolarHBondContact O-N 3.2Å; H425-L428 WeakPolarHBondContact O-CA 3.36Å; H425-L428 WeakPolarHBondContact O-CB 3.49Å; H425-L428 PolarHBondContact O-N 3Å; H425-Q429 PolarHBondContact CE1-NE2 3.29Å; H425-Q429 VanDerWaalsContact CE1-NE2 3.28Å; H425-Q429 WeakPolarHBondContact O-CG 3.32Å; H425-Q429 PolarHBondContact O-N 3.39Å; H425-L461 HydrophobicContact CB-CD2 3.85Å; H425-L464 HydrophobicContact CB-CD1 3.85Å; H425-G465 PolarHBondContact CE1-O 3.49Å; H425-D472 IonicContact CE1-OD1 2.74Å; H425-D472 IonicContact CG-OD1 3.26Å; H425-D472 IonicContact ND1-OD1 2.97Å; H425-D472 PolarHBondContact ND1-OD1 3.16Å |
| 426 | E | 91.8 | Very high | 90.3 | Very high | 63 Ų | 63 | 46.3 Ų | 46.3 | 29% | 0.294 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -53.8 | -45.4 | 178.1 | -82.4 | -174.7 | -135.3 | 0 | 0 | 112.3 | Q422 R423 Q429 R430 | Q422-E426 HydrophobicContact CG-CG 4.44Å; Q422-E426 WeakPolarHBondContact CG-OE1 3.44Å; Q422-E426 PolarHBondContact NE2-OE1 3Å; Q422-E426 WeakPolarHBondContact O-CB 3.45Å; Q422-E426 WeakPolarHBondContact O-CG 3.34Å; Q422-E426 PolarHBondContact O-N 3.33Å; R423-E426 PolarHBondContact O-N 2.97Å; E426-Q429 PolarHBondContact O-N 3.19Å; E426-R430 WeakPolarHBondContact O-CD 3.43Å; E426-R430 VanDerWaalsContact O-CG 3.32Å; E426-R430 WeakPolarHBondContact O-CG 3.41Å; E426-R430 PolarHBondContact O-N 3.01Å; E426-R430 IonicContact OE2-CZ 2.97Å; E426-R430 IonicContact OE2-NH1 3.57Å; E426-R430 PolarHBondContact OE2-NH1 2.8Å; E426-R430 IonicContact OE2-NH2 3.94Å; E426-R430 PolarHBondContact OE2-NH2 3.13Å |
| 427 | D | 91.3 | Very high | 90.1 | Very high | 44 Ų | 44 | 46.3 Ų | 46.3 | 24% | 0.235 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -73.7 | -31.3 | 177.7 | -77.4 | -18.9 | 0 | 0 | 0 | 112.1 | R423 H425 R430 R431 T439 | R423-D427 WeakPolarHBondContact O-CB 3.47Å; R423-D427 PolarHBondContact O-N 2.91Å; H425-D427 VanDerWaalsContact C-N 3.3Å; H425-D427 PolarHBondContact O-N 3.2Å; D427-R430 CarbonylContact O-C 3.28Å; D427-R430 WeakPolarHBondContact O-CA 3.41Å; D427-R430 WeakPolarHBondContact O-CB 3.5Å; D427-R430 PolarHBondContact O-N 2.83Å; D427-R430 IonicContact OD1-CZ 3.07Å; D427-R430 IonicContact OD1-NH1 3.85Å; D427-R430 PolarHBondContact OD1-NH1 3.27Å; D427-R431 VanDerWaalsContact O-CG 3.27Å; D427-R431 WeakPolarHBondContact O-CG 3.33Å; D427-R431 PolarHBondContact O-N 2.74Å; D427-T439 HydrophobicContact CB-CG2 3.67Å |
| 428 | L | 92.1 | Very high | 90 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.6 | -43.1 | 170.5 | -179.1 | 63.7 | 0 | 0 | 0 | 111.7 | S424 H425 R430 R431 F470 P492 | S424-L428 WeakPolarHBondContact O-CB 3.39Å; S424-L428 PolarHBondContact O-N 2.96Å; H425-L428 WeakPolarHBondContact O-CA 3.36Å; H425-L428 WeakPolarHBondContact O-CB 3.49Å; H425-L428 PolarHBondContact O-N 3Å; L428-R430 PolarHBondContact O-N 3.32Å; L428-R431 PolarHBondContact O-N 2.93Å; L428-R431 VanDerWaalsContact O-N 3.1Å; L428-F470 HydrophobicContact CD1-CB 3.89Å; L428-F470 HydrophobicContact CD1-CD2 3.82Å; L428-F470 HydrophobicContact CD1-CG 4.2Å; L428-F470 HydrophobicContact CD2-CB 4.01Å; L428-F470 HydrophobicContact CG-CB 4.17Å; L428-F470 HydrophobicContact CG-CD2 4.25Å; L428-P492 HydrophobicContact CD1-CB 3.79Å |
| 429 | Q | 89.3 | Confident | 90 | Very high | 62 Ų | 62 | 46.4 Ų | 46.4 | 29% | 0.29 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.5 | 174.5 | -57.2 | -47 | -64.7 | 0 | 0 | 112.9 | H425 E426 S468 | H425-Q429 PolarHBondContact CE1-NE2 3.29Å; H425-Q429 VanDerWaalsContact CE1-NE2 3.28Å; H425-Q429 WeakPolarHBondContact O-CG 3.32Å; H425-Q429 PolarHBondContact O-N 3.39Å; E426-Q429 PolarHBondContact O-N 3.19Å; Q429-S468 PolarHBondContact NE2-OG 2.93Å; Q429-S468 PolarHBondContact OE1-OG 3.38Å |
| 430 | R | 89 | Confident | 90.2 | Very high | 157 Ų | 157 | 46.1 Ų | 46.1 | 59% | 0.592 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -5.2 | 175.6 | -62.5 | 165 | -169.9 | 136.9 | 7.3 | 113.3 | E426 D427 L428 | E426-R430 WeakPolarHBondContact O-CD 3.43Å; E426-R430 VanDerWaalsContact O-CG 3.32Å; E426-R430 WeakPolarHBondContact O-CG 3.41Å; E426-R430 PolarHBondContact O-N 3.01Å; E426-R430 IonicContact OE2-CZ 2.97Å; E426-R430 IonicContact OE2-NH1 3.57Å; E426-R430 PolarHBondContact OE2-NH1 2.8Å; E426-R430 IonicContact OE2-NH2 3.94Å; E426-R430 PolarHBondContact OE2-NH2 3.13Å; D427-R430 CarbonylContact O-C 3.28Å; D427-R430 WeakPolarHBondContact O-CA 3.41Å; D427-R430 WeakPolarHBondContact O-CB 3.5Å; D427-R430 PolarHBondContact O-N 2.83Å; D427-R430 IonicContact OD1-CZ 3.07Å; D427-R430 IonicContact OD1-NH1 3.85Å; D427-R430 PolarHBondContact OD1-NH1 3.27Å; L428-R430 PolarHBondContact O-N 3.32Å |
| 431 | R | 86.9 | Confident | 90.3 | Very high | 34 Ų | 34 | 46 Ų | 46 | 13% | 0.128 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -81.1 | 139.7 | -178.6 | -66 | -157.1 | 69 | -175.5 | 2.6 | 111.5 | D427 L428 R436 G437 P492 | D427-R431 VanDerWaalsContact O-CG 3.27Å; D427-R431 WeakPolarHBondContact O-CG 3.33Å; D427-R431 PolarHBondContact O-N 2.74Å; L428-R431 PolarHBondContact O-N 2.93Å; L428-R431 VanDerWaalsContact O-N 3.1Å; R431-R436 PolarHBondContact NH1-O 3.21Å; R431-R436 VanDerWaalsContact NH2-N 3.19Å; R431-R436 PolarHBondContact NH2-O 3.18Å; R431-R436 VanDerWaalsContact NH2-O 3.14Å; R431-G437 PolarHBondContact NH1-O 3.25Å; R431-P492 HydrophobicContact CB-CB 4.22Å; R431-P492 HydrophobicContact CB-CG 4.49Å |
| 432 | P | 82 | Confident | 90.5 | Very high | 86 Ų | 86 | 46 Ų | 46 | 56% | 0.558 | 22% | 0.224 | S | C | * | . | trans | -73.2 | 149.6 | 169.5 | 32 | -35 | 0 | 0 | 0 | 111 | V434 G435 | P432-V434 PolarHBondContact O-N 3.45Å; P432-G435 WeakPolarHBondContact O-CA 3.41Å; P432-G435 PolarHBondContact O-N 2.88Å | ||
| 433 | D | 78.6 | Confident | 90.7 | Very high | 129 Ų | 129 | 45.1 Ų | 45.1 | 69% | 0.69 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -25.8 | -177.9 | -52 | -9.4 | 0 | 0 | 0 | 114.5 | G435 F470 | D433-G435 VanDerWaalsContact C-N 3.26Å; D433-F470 HydrophobicContact CB-CZ 4.35Å |
| 434 | V | 80.6 | Confident | 90.8 | Very high | 128 Ų | 128 | 41 Ų | 41 | 78% | 0.776 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -11.7 | 178.3 | -164.6 | 0 | 0 | 0 | 0 | 112.1 | P432 | P432-V434 PolarHBondContact O-N 3.45Š|
| 435 | G | 83 | Confident | 90.7 | Very high | 13 Ų | 13 | 41.3 Ų | 41.3 | 13% | 0.134 | 21% | 0.206 | C | C | . | . | trans | -65.5 | 161.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | P432 D433 K491 P492 | P432-G435 WeakPolarHBondContact O-CA 3.41Å; P432-G435 PolarHBondContact O-N 2.88Å; D433-G435 VanDerWaalsContact C-N 3.26Å; G435-K491 CarbonylContact O-C 3.52Å; G435-P492 WeakPolarHBondContact O-CD 3.4Å; G435-P492 WeakPolarHBondContact O-CG 3.31Å | ||
| 436 | R | 89.3 | Confident | 90.5 | Very high | 118 Ų | 118 | 43.8 Ų | 43.8 | 45% | 0.445 | 22% | 0.22 | S | C | . | . | trans | -133.5 | 141.3 | -175.4 | -53.3 | -166.8 | -178 | 174 | 3.7 | 113.2 | R431 K490 D517 | R431-R436 PolarHBondContact NH1-O 3.21Å; R431-R436 VanDerWaalsContact NH2-N 3.19Å; R431-R436 PolarHBondContact NH2-O 3.18Å; R431-R436 VanDerWaalsContact NH2-O 3.14Å; R436-K490 WeakPolarHBondContact CG-O 3.43Å; R436-D517 PolarHBondContact O-N 3.41Å | ||
| 437 | G | 91.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 63.6 | -159.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | R431 L489 K491 V493 | R431-G437 PolarHBondContact NH1-O 3.25Å; G437-L489 WeakPolarHBondContact CA-O 3.26Å; G437-L489 PolarHBondContact N-O 2.94Å; G437-K491 WeakPolarHBondContact CA-O 3.21Å; G437-K491 PolarHBondContact N-O 3.24Å; G437-V493 PolarHBondContact O-N 2.9Å |
| 438 | P | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 145.3 | -161.3 | 32.9 | -32 | 0 | 0 | 0 | 112.4 | C440 I441 V493 L496 V521 | P438-C440 WeakPolarHBondContact CB-O 3.47Å; P438-I441 HydrophobicContact CG-CD1 4.4Å; P438-I441 HydrophobicContact CG-CG1 3.8Å; P438-V493 CarbonylContact C-O 3.53Å; P438-V493 VanDerWaalsContact CA-O 3.27Å; P438-V493 WeakPolarHBondContact CA-O 3.41Å; P438-L496 HydrophobicContact CB-CB 3.77Å; P438-L496 HydrophobicContact CG-CB 3.93Å; P438-L496 HydrophobicContact CG-CD2 4.43Å; P438-V521 HydrophobicContact CG-CG2 4.38Å; P438-V521 WeakPolarHBondContact O-CG2 3.46Å |
| 439 | T | 94.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | -32.4 | 162.8 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | D427 V493 G494 V521 K522 C523 | D427-T439 HydrophobicContact CB-CG2 3.67Å; T439-V493 PolarHBondContact N-O 2.77Å; T439-V493 PolarHBondContact OG1-O 3.16Å; T439-G494 WeakPolarHBondContact CA-O 3.33Å; T439-G494 WeakPolarHBondContact CB-O 3.49Å; T439-G494 PolarHBondContact N-O 2.95Å; T439-V521 CarbonylContact O-C 3.3Å; T439-V521 WeakPolarHBondContact O-CA 3.4Å; T439-K522 HydrophobicContact CG2-CB 4.34Å; T439-K522 HydrophobicContact CG2-CG 4.12Å; T439-K522 PolarHBondContact O-N 3.39Å; T439-C523 PolarHBondContact O-N 2.93Å |
| 440 | C | 96.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 137.6 | 176.2 | 178.6 | 0 | 0 | 0 | 0 | 112.5 | V420 S424 P438 G494 I495 L496 C523 | V420-C440 HydrophobicContact CG1-CB 4.38Å; S424-C440 WeakPolarHBondContact OG-CB 3.41Å; P438-C440 WeakPolarHBondContact CB-O 3.47Å; C440-G494 PolarHBondContact N-O 2.98Å; C440-I495 HydrophobicContact CB-CG1 4.32Å; C440-I495 HydrophobicContact CB-CG2 4.46Å; C440-I495 CarbonylContact O-C 3.56Å; C440-I495 WeakPolarHBondContact O-CA 3.35Å; C440-L496 PolarHBondContact O-N 2.89Å; C440-C523 VanDerWaalsContact CA-O 3.27Å; C440-C523 WeakPolarHBondContact CA-O 3.42Å; C440-C523 HydrophobicContact CB-CB 4.06Å; C440-C523 PolarHBondContact SG-O 2.9Å; C440-C523 VanDerWaalsContact SG-O 3.42Å; C440-C523 VanDerWaalsContact SG-SG 3.64Å |
| 441 | I | 97.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 122 | 169.1 | -57.6 | 175.3 | 0 | 0 | 0 | 108.6 | P438 V443 L503 F516 V521 C523 I524 A525 F551 | P438-I441 HydrophobicContact CG-CD1 4.4Å; P438-I441 HydrophobicContact CG-CG1 3.8Å; I441-V443 HydrophobicContact CG2-CG2 4.16Å; I441-L503 HydrophobicContact CG2-CD1 4.22Å; I441-L503 HydrophobicContact CG2-CD2 3.87Å; I441-F516 HydrophobicContact CD1-CE2 4.09Å; I441-F516 HydrophobicContact CD1-CZ 3.87Å; I441-V521 HydrophobicContact CD1-CG1 4.29Å; I441-V521 HydrophobicContact CD1-CG2 4.11Å; I441-V521 HydrophobicContact CG1-CG1 4.19Å; I441-V521 HydrophobicContact CG1-CG2 4.32Å; I441-C523 PolarHBondContact N-O 2.82Å; I441-I524 HydrophobicContact CB-CG1 4.38Å; I441-I524 CarbonylContact O-C 3.55Å; I441-I524 VanDerWaalsContact O-CA 3.31Å; I441-I524 WeakPolarHBondContact O-CA 3.47Å; I441-A525 PolarHBondContact O-N 2.86Å; I441-F551 HydrophobicContact CD1-CE1 4.42Å; I441-F551 HydrophobicContact CD1-CZ 3.83Å |
| 442 | F | 98.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 120.1 | 178.7 | -157.2 | -63.4 | 0 | 0 | 0 | 109.5 | T413 Y416 L417 V420 I453 M457 I495 L496 L497 T498 A525 D527 | T413-F442 HydrophobicContact CG2-CZ 4.05Å; Y416-F442 AromaticContact CE2-CE2 3.84Å; Y416-F442 HydrophobicContact CE2-CE2 3.84Å; Y416-F442 AromaticContact CE2-CZ 3.93Å; Y416-F442 HydrophobicContact CE2-CZ 3.93Å; L417-F442 HydrophobicContact CD1-CE2 3.97Å; V420-F442 HydrophobicContact CG1-CD2 4.49Å; F442-I453 HydrophobicContact CD1-CG2 4.5Å; F442-I453 HydrophobicContact CE1-CD1 3.81Å; F442-I453 HydrophobicContact CE1-CG2 4.06Å; F442-I453 HydrophobicContact CE2-CG2 4.44Å; F442-I453 HydrophobicContact CZ-CD1 4.23Å; F442-I453 HydrophobicContact CZ-CG2 4.02Å; F442-M457 HydrophobicContact CB-CE 4.05Å; F442-M457 HydrophobicContact CD1-CE 4.42Å; F442-M457 HydrophobicContact CD2-CE 3.26Å; F442-M457 HydrophobicContact CE2-CE 3.73Å; F442-M457 HydrophobicContact CG-CE 3.66Å; F442-M457 HydrophobicContact CZ-CE 4.49Å; F442-I495 HydrophobicContact CB-CG2 4.02Å; F442-L496 PolarHBondContact N-O 3.42Å; F442-L497 HydrophobicContact CB-CB 4.38Å; F442-L497 HydrophobicContact CB-CD1 3.9Å; F442-L497 HydrophobicContact CD1-CD1 3.51Å; F442-L497 HydrophobicContact CE1-CD1 4.35Å; F442-L497 HydrophobicContact CG-CD1 3.95Å; F442-L497 WeakPolarHBondContact O-CA 3.46Å; F442-T498 PolarHBondContact O-N 2.94Å; F442-A525 HydrophobicContact CD1-CB 4.4Å; F442-A525 HydrophobicContact CD2-CB 3.55Å; F442-A525 HydrophobicContact CE2-CB 3.75Å; F442-A525 HydrophobicContact CG-CB 3.91Å; F442-A525 HydrophobicContact CZ-CB 4.25Å; F442-D527 HydrophobicContact CE1-CB 3.71Å; F442-D527 HydrophobicContact CZ-CB 4.02Å |
| 443 | V | 98.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.8 | 179.8 | -167.8 | 0 | 0 | 0 | 0 | 109.2 | I441 T498 V500 L503 A525 L526 D527 M532 | I441-V443 HydrophobicContact CG2-CG2 4.16Å; V443-T498 WeakPolarHBondContact CA-O 3.46Å; V443-V500 HydrophobicContact CG1-CG2 3.76Å; V443-L503 HydrophobicContact CG2-CD2 3.63Å; V443-A525 PolarHBondContact N-O 3.01Å; V443-L526 HydrophobicContact CB-CD2 3.87Å; V443-L526 HydrophobicContact CG2-CD2 3.88Å; V443-D527 PolarHBondContact O-N 3.23Å; V443-M532 HydrophobicContact CB-CE 4.11Å; V443-M532 HydrophobicContact CG1-CE 3.98Å; V443-M532 HydrophobicContact CG1-SD 4.03Å; V443-M532 WeakPolarHBondContact O-CE 3.48Å |
| 444 | C | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -132.2 | 166.7 | 171.8 | 69.9 | 0 | 0 | 0 | 0 | 111.3 | N446 G450 I453 W477 T498 | C444-N446 PolarHBondContact O-N 2.88Å; C444-N446 PolarHBondContact SG-O 2.89Å; C444-G450 WeakPolarHBondContact SG-CA 3.32Å; C444-G450 PolarHBondContact SG-N 3.08Å; C444-I453 HydrophobicContact CB-CD1 4.17Å; C444-W477 VanDerWaalsContact SG-CH2 3.51Å; C444-T498 PolarHBondContact N-O 2.98Å | ||
| 445 | P | 91.2 | Very high | 93.2 | Very high | 11 Ų | 11 | 39 Ų | 39 | 7% | 0.071 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -72.7 | -23.2 | -167.7 | -17.9 | 32.2 | 0 | 0 | 0 | 115.2 | Q449 D527 N528 D531 M532 | P445-Q449 VanDerWaalsContact CD-OE1 3.23Å; P445-D527 WeakPolarHBondContact CD-O 3.44Å; P445-N528 HydrophobicContact CG-CB 3.87Å; P445-D531 HydrophobicContact CB-CB 3.69Å; P445-D531 HydrophobicContact CG-CB 3.49Å; P445-D531 VanDerWaalsContact CG-CB 3.49Å; P445-M532 HydrophobicContact CB-CG 4.22Å; P445-M532 HydrophobicContact CG-CG 4.06Å |
| 446 | N | 89.4 | Confident | 93.8 | Very high | 70 Ų | 70 | 41.4 Ų | 41.4 | 37% | 0.374 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -163.6 | 164 | -179.6 | 55.9 | 69.4 | 0 | 0 | 0 | 111.9 | C444 G448 Q449 G450 | C444-N446 PolarHBondContact O-N 2.88Å; C444-N446 PolarHBondContact SG-O 2.89Å; N446-G448 PolarHBondContact O-N 3.16Å; N446-G448 WeakPolarHBondContact OD1-CA 3.35Å; N446-G448 PolarHBondContact OD1-N 2.75Å; N446-G448 VanDerWaalsContact OD1-N 3.09Å; N446-Q449 PolarHBondContact O-N 3.08Å; N446-Q449 PolarHBondContact OD1-N 2.9Å; N446-G450 PolarHBondContact O-N 3.24Å |
| 447 | Q | 91.3 | Very high | 94.1 | Very high | 82 Ų | 82 | 35.8 Ų | 35.8 | 38% | 0.383 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -56.5 | -30.9 | 177 | -175 | -168.7 | 78.1 | 0 | 0 | 113.4 | G450 K451 W477 | Q447-G450 PolarHBondContact O-N 3.3Å; Q447-K451 VanDerWaalsContact CD-CE 3.43Å; Q447-K451 VanDerWaalsContact CD-NZ 3.3Å; Q447-K451 HydrophobicContact CG-CD 3.92Å; Q447-K451 HydrophobicContact CG-CG 4.11Å; Q447-K451 WeakPolarHBondContact O-CB 3.48Å; Q447-K451 WeakPolarHBondContact O-CG 3.06Å; Q447-K451 PolarHBondContact O-N 2.84Å; Q447-W477 HydrophobicContact CB-CB 4.41Å; Q447-W477 HydrophobicContact CB-CD2 4.06Å; Q447-W477 HydrophobicContact CB-CE3 4.02Å; Q447-W477 HydrophobicContact CB-CG 4.24Å; Q447-W477 HydrophobicContact CG-CB 3.92Å; Q447-W477 HydrophobicContact CG-CD2 3.84Å; Q447-W477 HydrophobicContact CG-CE3 4.33Å; Q447-W477 HydrophobicContact CG-CG 3.63Å; Q447-W477 VanDerWaalsContact NE2-CB 3.27Å |
| 448 | G | 90.9 | Very high | 94.1 | Very high | 51 Ų | 51 | 38.8 Ų | 38.8 | 53% | 0.526 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.7 | -48.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N446 G450 Q452 | N446-G448 PolarHBondContact O-N 3.16Å; N446-G448 WeakPolarHBondContact OD1-CA 3.35Å; N446-G448 PolarHBondContact OD1-N 2.75Å; N446-G448 VanDerWaalsContact OD1-N 3.09Å; G448-G450 VanDerWaalsContact C-N 3.32Å; G448-Q452 PolarHBondContact O-N 2.78Å |
| 449 | Q | 89.6 | Confident | 94 | Very high | 37 Ų | 37 | 41.4 Ų | 41.4 | 17% | 0.173 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.9 | -38.3 | 170.3 | -65.1 | -172.8 | 19.6 | 0 | 0 | 110.9 | P445 N446 Q452 I453 N528 | P445-Q449 VanDerWaalsContact CD-OE1 3.23Å; N446-Q449 PolarHBondContact O-N 3.08Å; N446-Q449 PolarHBondContact OD1-N 2.9Å; Q449-Q452 WeakPolarHBondContact O-CB 3.37Å; Q449-Q452 PolarHBondContact O-N 3.13Å; Q449-Q452 VanDerWaalsContact O-N 3.15Å; Q449-I453 WeakPolarHBondContact O-CG1 3.44Å; Q449-I453 PolarHBondContact O-N 3.1Å; Q449-N528 PolarHBondContact OE1-ND2 3.44Å |
| 450 | G | 94.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -53.8 | -56.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | C444 N446 Q447 G448 Q452 I453 E454 W477 | C444-G450 WeakPolarHBondContact SG-CA 3.32Å; C444-G450 PolarHBondContact SG-N 3.08Å; N446-G450 PolarHBondContact O-N 3.24Å; Q447-G450 PolarHBondContact O-N 3.3Å; G448-G450 VanDerWaalsContact C-N 3.32Å; G450-Q452 PolarHBondContact O-N 2.99Å; G450-I453 PolarHBondContact O-N 3.5Å; G450-E454 VanDerWaalsContact O-CB 3.31Å; G450-E454 WeakPolarHBondContact O-CB 3.41Å; G450-E454 PolarHBondContact O-N 2.63Å; G450-W477 VanDerWaalsContact CA-CH2 3.47Å |
| 451 | K | 94.2 | Very high | 93.7 | Very high | 91 Ų | 91 | 41.7 Ų | 41.7 | 40% | 0.396 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.1 | -26.2 | 176.9 | -76 | 172.2 | 171.1 | 169.1 | 0 | 113.2 | Q447 R455 | Q447-K451 VanDerWaalsContact CD-CE 3.43Å; Q447-K451 VanDerWaalsContact CD-NZ 3.3Å; Q447-K451 HydrophobicContact CG-CD 3.92Å; Q447-K451 HydrophobicContact CG-CG 4.11Å; Q447-K451 WeakPolarHBondContact O-CB 3.48Å; Q447-K451 WeakPolarHBondContact O-CG 3.06Å; Q447-K451 PolarHBondContact O-N 2.84Å; K451-R455 WeakPolarHBondContact O-CD 3.3Å; K451-R455 VanDerWaalsContact O-CG 3.27Å; K451-R455 WeakPolarHBondContact O-CG 3.34Å; K451-R455 PolarHBondContact O-N 2.97Å |
| 452 | Q | 93.4 | Very high | 93.2 | Very high | 103 Ų | 103 | 46.2 Ų | 46.2 | 48% | 0.481 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -75.8 | -43.3 | 173.1 | -174.4 | 174.2 | 34 | 0 | 0 | 111.8 | G448 Q449 G450 R455 W456 | G448-Q452 PolarHBondContact O-N 2.78Å; Q449-Q452 WeakPolarHBondContact O-CB 3.37Å; Q449-Q452 PolarHBondContact O-N 3.13Å; Q449-Q452 VanDerWaalsContact O-N 3.15Å; G450-Q452 PolarHBondContact O-N 2.99Å; Q452-R455 PolarHBondContact O-N 2.86Å; Q452-W456 HydrophobicContact CG-CD2 4.45Å; Q452-W456 HydrophobicContact CG-CH2 3.82Å; Q452-W456 HydrophobicContact CG-CZ2 3.64Å; Q452-W456 HydrophobicContact CG-CZ3 4.31Å; Q452-W456 PolarHBondContact O-N 3.08Å |
| 453 | I | 95.6 | Very high | 92.4 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.2 | -40.6 | 178.4 | -66 | 170.2 | 0 | 0 | 0 | 110.7 | T413 L417 F442 C444 Q449 G450 R455 W456 M457 L497 | T413-I453 HydrophobicContact CG2-CD1 4.23Å; T413-I453 HydrophobicContact CG2-CG1 4.25Å; L417-I453 HydrophobicContact CD1-CG2 4.37Å; F442-I453 HydrophobicContact CD1-CG2 4.5Å; F442-I453 HydrophobicContact CE1-CD1 3.81Å; F442-I453 HydrophobicContact CE1-CG2 4.06Å; F442-I453 HydrophobicContact CE2-CG2 4.44Å; F442-I453 HydrophobicContact CZ-CD1 4.23Å; F442-I453 HydrophobicContact CZ-CG2 4.02Å; C444-I453 HydrophobicContact CB-CD1 4.17Å; Q449-I453 WeakPolarHBondContact O-CG1 3.44Å; Q449-I453 PolarHBondContact O-N 3.1Å; G450-I453 PolarHBondContact O-N 3.5Å; I453-R455 PolarHBondContact O-N 3.46Å; I453-W456 HydrophobicContact CG1-CE3 4.11Å; I453-W456 HydrophobicContact CG1-CZ3 4.06Å; I453-W456 PolarHBondContact O-N 3.48Å; I453-W456 VanDerWaalsContact O-N 3.13Å; I453-M457 HydrophobicContact CG2-CE 3.69Å; I453-M457 HydrophobicContact CG2-CG 4.31Å; I453-M457 HydrophobicContact CG2-SD 4.13Å; I453-M457 WeakPolarHBondContact O-CG 3.44Å; I453-M457 PolarHBondContact O-N 2.77Å; I453-L497 HydrophobicContact CB-CD2 4.46Å; I453-L497 HydrophobicContact CG2-CD1 4.37Å; I453-L497 HydrophobicContact CG2-CD2 4.25Å |
| 454 | E | 95.6 | Very high | 91.7 | Very high | 51 Ų | 51 | 51.3 Ų | 51.3 | 24% | 0.238 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -52.7 | -48.7 | 172.6 | -177.9 | 172.7 | -150.1 | 0 | 0 | 111.6 | G450 W456 M457 S458 T475 L497 | G450-E454 VanDerWaalsContact O-CB 3.31Å; G450-E454 WeakPolarHBondContact O-CB 3.41Å; G450-E454 PolarHBondContact O-N 2.63Å; E454-W456 PolarHBondContact O-N 3.42Å; E454-M457 PolarHBondContact O-N 3.49Å; E454-S458 PolarHBondContact O-N 3.2Å; E454-S458 PolarHBondContact O-OG 2.87Å; E454-S458 VanDerWaalsContact O-OG 3.13Å; E454-T475 HydrophobicContact CB-CG2 4.42Å; E454-T475 VanDerWaalsContact CD-CG2 3.44Å; E454-T475 HydrophobicContact CG-CG2 3.91Å; E454-T475 WeakPolarHBondContact OE1-CB 3.08Å; E454-T475 WeakPolarHBondContact OE1-CG2 3.2Å; E454-T475 PolarHBondContact OE1-OG1 3.42Å; E454-L497 HydrophobicContact CB-CD2 3.91Å |
| 455 | R | 93.9 | Very high | 90.6 | Very high | 183 Ų | 183 | 53.1 Ų | 53.1 | 69% | 0.691 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -59.3 | -44.1 | 175.6 | -70.9 | 166.8 | -175.1 | -173.3 | 0.2 | 112.3 | K451 Q452 I453 T459 | K451-R455 WeakPolarHBondContact O-CD 3.3Å; K451-R455 VanDerWaalsContact O-CG 3.27Å; K451-R455 WeakPolarHBondContact O-CG 3.34Å; K451-R455 PolarHBondContact O-N 2.97Å; Q452-R455 PolarHBondContact O-N 2.86Å; I453-R455 PolarHBondContact O-N 3.46Å; R455-T459 PolarHBondContact O-N 3.24Å; R455-T459 VanDerWaalsContact O-N 3.1Å; R455-T459 PolarHBondContact O-OG1 3.49Å; R455-T459 VanDerWaalsContact O-OG1 3.06Å |
| 456 | W | 94.8 | Very high | 89.5 | Confident | 64 Ų | 64 | 55.5 Ų | 55.5 | 24% | 0.242 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.8 | -41.3 | 176.4 | -62.7 | -30.1 | 0 | 0 | 0 | 112.5 | T413 W414 L417 Q452 I453 E454 T459 L460 | T413-W456 HydrophobicContact CG2-CZ3 4.29Å; W414-W456 HydrophobicContact CH2-CB 4.17Å; W414-W456 HydrophobicContact CH2-CG 4.31Å; W414-W456 HydrophobicContact CZ2-CB 3.89Å; W414-W456 AromaticContact CZ2-CD1 3.77Å; W414-W456 AromaticContact CZ2-CD2 3.81Å; W414-W456 HydrophobicContact CZ2-CD2 3.81Å; W414-W456 HydrophobicContact CZ2-CE3 4.4Å; W414-W456 AromaticContact CZ2-CG 3.56Å; W414-W456 HydrophobicContact CZ2-CG 3.56Å; W414-W456 AromaticContact NE1-CD2 3.89Å; W414-W456 AromaticContact NE1-CE2 3.85Å; W414-W456 AromaticContact NE1-CE3 3.95Å; W414-W456 AromaticContact NE1-CZ2 3.91Å; L417-W456 HydrophobicContact CD2-CB 3.77Å; L417-W456 HydrophobicContact CD2-CE3 4.01Å; Q452-W456 HydrophobicContact CG-CD2 4.45Å; Q452-W456 HydrophobicContact CG-CH2 3.82Å; Q452-W456 HydrophobicContact CG-CZ2 3.64Å; Q452-W456 HydrophobicContact CG-CZ3 4.31Å; Q452-W456 PolarHBondContact O-N 3.08Å; I453-W456 HydrophobicContact CG1-CE3 4.11Å; I453-W456 HydrophobicContact CG1-CZ3 4.06Å; I453-W456 PolarHBondContact O-N 3.48Å; I453-W456 VanDerWaalsContact O-N 3.13Å; E454-W456 PolarHBondContact O-N 3.42Å; W456-T459 PolarHBondContact O-N 3.04Å; W456-L460 VanDerWaalsContact O-CG 3.27Å; W456-L460 WeakPolarHBondContact O-CG 3.46Å; W456-L460 PolarHBondContact O-N 3.46Å |
| 457 | M | 95.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.5 | -52 | 174.4 | -73.1 | 176.9 | 170.3 | 0 | 0 | 110.6 | L417 F442 I453 E454 T459 L460 L461 V473 I495 L497 | L417-M457 HydrophobicContact CD1-CE 3.69Å; L417-M457 HydrophobicContact CD1-CG 3.84Å; F442-M457 HydrophobicContact CB-CE 4.05Å; F442-M457 HydrophobicContact CD1-CE 4.42Å; F442-M457 HydrophobicContact CD2-CE 3.26Å; F442-M457 HydrophobicContact CE2-CE 3.73Å; F442-M457 HydrophobicContact CG-CE 3.66Å; F442-M457 HydrophobicContact CZ-CE 4.49Å; I453-M457 HydrophobicContact CG2-CE 3.69Å; I453-M457 HydrophobicContact CG2-CG 4.31Å; I453-M457 HydrophobicContact CG2-SD 4.13Å; I453-M457 WeakPolarHBondContact O-CG 3.44Å; I453-M457 PolarHBondContact O-N 2.77Å; E454-M457 PolarHBondContact O-N 3.49Å; M457-T459 VanDerWaalsContact C-N 3.31Å; M457-T459 PolarHBondContact O-N 2.84Å; M457-L460 PolarHBondContact O-N 3.45Å; M457-L461 HydrophobicContact CB-CD1 4.08Å; M457-L461 WeakPolarHBondContact O-CB 3.22Å; M457-L461 WeakPolarHBondContact O-CD1 3.43Å; M457-L461 VanDerWaalsContact O-CG 3.24Å; M457-L461 WeakPolarHBondContact O-CG 3.22Å; M457-L461 PolarHBondContact O-N 3.03Å; M457-V473 HydrophobicContact CB-CG2 4.13Å; M457-V473 HydrophobicContact SD-CG1 4.35Å; M457-V473 HydrophobicContact SD-CG2 4.5Å; M457-I495 HydrophobicContact CE-CD1 4.04Å; M457-I495 HydrophobicContact CE-CG2 3.92Å; M457-I495 HydrophobicContact CG-CD1 4.4Å; M457-I495 HydrophobicContact SD-CD1 4Å; M457-I495 HydrophobicContact SD-CG2 4.14Å; M457-L497 HydrophobicContact SD-CD2 3.99Å |
| 458 | S | 92.3 | Very high | 86.9 | Confident | 63 Ų | 63 | 54.6 Ų | 54.6 | 44% | 0.441 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59 | -38.4 | 179.4 | -60.6 | 0 | 0 | 0 | 0 | 112.8 | E454 C462 | E454-S458 PolarHBondContact O-N 3.2Å; E454-S458 PolarHBondContact O-OG 2.87Å; E454-S458 VanDerWaalsContact O-OG 3.13Å; S458-C462 WeakPolarHBondContact O-CB 3.42Å; S458-C462 PolarHBondContact O-N 3.03Å |
| 459 | T | 91.3 | Very high | 86.1 | Confident | 55 Ų | 55 | 55.7 Ų | 55.7 | 34% | 0.337 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69.1 | -36 | 174.4 | -50.4 | 0 | 0 | 0 | 0 | 113.1 | M378 R455 W456 M457 | M378-T459 HydrophobicContact CE-CG2 3.72Å; M378-T459 HydrophobicContact CG-CG2 3.91Å; M378-T459 HydrophobicContact SD-CG2 3.72Å; R455-T459 PolarHBondContact O-N 3.24Å; R455-T459 VanDerWaalsContact O-N 3.1Å; R455-T459 PolarHBondContact O-OG1 3.49Å; R455-T459 VanDerWaalsContact O-OG1 3.06Å; W456-T459 PolarHBondContact O-N 3.04Å; M457-T459 VanDerWaalsContact C-N 3.31Å; M457-T459 PolarHBondContact O-N 2.84Å |
| 460 | L | 93.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.1 | -41.3 | 176 | -70.9 | 167.2 | 0 | 0 | 0 | 112.2 | I371 A374 M375 M378 W414 L417 C421 W456 M457 | I371-L460 HydrophobicContact CD1-CB 3.96Å; I371-L460 HydrophobicContact CD1-CD2 4.01Å; I371-L460 WeakPolarHBondContact CD1-O 3.41Å; I371-L460 HydrophobicContact CG2-CD2 4.2Å; A374-L460 HydrophobicContact CB-CD2 4.04Å; M375-L460 HydrophobicContact CG-CD2 3.99Å; M378-L460 HydrophobicContact CE-CD2 3.78Å; M378-L460 HydrophobicContact CE-CG 3.94Å; W414-L460 HydrophobicContact CH2-CD1 4.15Å; W414-L460 HydrophobicContact CH2-CD2 4.44Å; W414-L460 HydrophobicContact CH2-CG 4.42Å; W414-L460 HydrophobicContact CZ3-CD1 4.01Å; W414-L460 HydrophobicContact CZ3-CD2 4.17Å; W414-L460 HydrophobicContact CZ3-CG 4.47Å; L417-L460 HydrophobicContact CD2-CD1 4.13Å; L417-L460 HydrophobicContact CG-CD1 3.86Å; C421-L460 HydrophobicContact CB-CB 3.88Å; C421-L460 HydrophobicContact CB-CD1 4.1Å; C421-L460 VanDerWaalsContact SG-CD1 3.53Å; W456-L460 VanDerWaalsContact O-CG 3.27Å; W456-L460 WeakPolarHBondContact O-CG 3.46Å; W456-L460 PolarHBondContact O-N 3.46Å; M457-L460 PolarHBondContact O-N 3.45Å |
| 461 | L | 91.9 | Very high | 85.8 | Confident | 9 Ų | 9 | 59 Ų | 59 | 5% | 0.047 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -81.2 | -38.2 | -173.3 | -66.1 | 160.9 | 0 | 0 | 0 | 111.9 | C421 H425 M457 L463 L464 D472 V473 I495 | C421-L461 HydrophobicContact CB-CD2 3.88Å; C421-L461 HydrophobicContact CB-CG 4.07Å; C421-L461 WeakPolarHBondContact O-CD2 3.25Å; H425-L461 HydrophobicContact CB-CD2 3.85Å; M457-L461 HydrophobicContact CB-CD1 4.08Å; M457-L461 WeakPolarHBondContact O-CB 3.22Å; M457-L461 WeakPolarHBondContact O-CD1 3.43Å; M457-L461 VanDerWaalsContact O-CG 3.24Å; M457-L461 WeakPolarHBondContact O-CG 3.22Å; M457-L461 PolarHBondContact O-N 3.03Å; L461-L463 PolarHBondContact O-N 3.46Å; L461-L463 VanDerWaalsContact O-N 3.14Å; L461-L464 HydrophobicContact CD2-CD1 4.32Å; L461-L464 WeakPolarHBondContact O-CB 3.39Å; L461-L464 PolarHBondContact O-N 2.94Å; L461-D472 HydrophobicContact CD1-CB 4.23Å; L461-V473 HydrophobicContact CD1-CG2 3.38Å; L461-I495 HydrophobicContact CD1-CD1 4.32Å |
| 462 | C | 87.2 | Confident | 85.6 | Confident | 97 Ų | 97 | 56 Ų | 56 | 66% | 0.655 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -53.7 | -37.4 | 179.6 | 178.6 | 0 | 0 | 0 | 0 | 113.4 | S458 L464 G465 | S458-C462 WeakPolarHBondContact O-CB 3.42Å; S458-C462 PolarHBondContact O-N 3.03Å; C462-L464 VanDerWaalsContact C-N 3.34Å; C462-L464 PolarHBondContact O-N 3.38Å; C462-G465 PolarHBondContact O-N 3.46Å |
| 463 | L | 81.6 | Confident | 85.7 | Confident | 66 Ų | 66 | 52.5 Ų | 52.5 | 35% | 0.346 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -15.4 | 178.7 | -60.4 | -163 | 0 | 0 | 0 | 114.6 | I370 A374 L461 G465 | I370-L463 VanDerWaalsContact CG2-C 3.48Å; I370-L463 HydrophobicContact CG2-CB 3.61Å; I370-L463 WeakPolarHBondContact CG2-O 3.43Å; A374-L463 HydrophobicContact CB-CD1 3.87Å; A374-L463 HydrophobicContact CB-CG 4.4Å; L461-L463 PolarHBondContact O-N 3.46Å; L461-L463 VanDerWaalsContact O-N 3.14Å; L463-G465 VanDerWaalsContact C-N 3.32Å |
| 464 | L | 83.9 | Confident | 85.7 | Confident | 41 Ų | 41 | 52.3 Ų | 52.3 | 22% | 0.215 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -21.7 | 172 | -64.2 | 171.7 | 0 | 0 | 0 | 111.7 | I370 I371 H425 L461 C462 | I370-L464 HydrophobicContact CB-CD2 4.16Å; I370-L464 HydrophobicContact CD1-CD2 4.33Å; I370-L464 HydrophobicContact CG2-CD2 3.88Å; I370-L464 HydrophobicContact CG2-CG 4.4Å; I371-L464 HydrophobicContact CD1-CD1 4.22Å; I371-L464 HydrophobicContact CD1-CG 4.44Å; I371-L464 HydrophobicContact CG1-CD2 4.29Å; H425-L464 HydrophobicContact CB-CD1 3.85Å; L461-L464 HydrophobicContact CD2-CD1 4.32Å; L461-L464 WeakPolarHBondContact O-CB 3.39Å; L461-L464 PolarHBondContact O-N 2.94Å; C462-L464 VanDerWaalsContact C-N 3.34Å; C462-L464 PolarHBondContact O-N 3.38Å |
| 465 | G | 72.6 | Confident | 85.7 | Confident | 38 Ų | 38 | 51 Ų | 51 | 39% | 0.392 | 31% | 0.313 | S | S | . | . | trans | 76.7 | -174.7 | -168 | 0 | 0 | 0 | 0 | 0 | 112 | H425 C462 L463 | H425-G465 PolarHBondContact CE1-O 3.49Å; C462-G465 PolarHBondContact O-N 3.46Å; L463-G465 VanDerWaalsContact C-N 3.32Å | ||
| 466 | S | 66.3 | Low | 85.7 | Confident | 61 Ų | 61 | 42.3 Ų | 42.3 | 43% | 0.427 | 28% | 0.28 | S | S | . | . | trans | -146.7 | 112.7 | 171.6 | -163.1 | 0 | 0 | 0 | 0 | 109.1 | D472 | S466-D472 PolarHBondContact OG-OD2 2.9Š| ||
| 467 | A | 62 | Low | 85.6 | Confident | 98 Ų | 98 | 40.9 Ų | 40.9 | 81% | 0.81 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -99.3 | -24.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 468 | S | 65.6 | Low | 85.2 | Confident | 35 Ų | 35 | 43.4 Ų | 43.4 | 25% | 0.245 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -83.3 | -10.4 | -177.8 | 65.3 | 0 | 0 | 0 | 0 | 115.1 | Q429 F470 | Q429-S468 PolarHBondContact NE2-OG 2.93Å; Q429-S468 PolarHBondContact OE1-OG 3.38Å; S468-F470 PolarHBondContact O-N 3.43Å; S468-F470 WeakPolarHBondContact OG-CD2 3.48Å |
| 469 | G | 73.8 | Confident | 84.8 | Confident | 73 Ų | 73 | 45.4 Ų | 45.4 | 75% | 0.753 | 29% | 0.289 | S | S | * | . | trans | 65.2 | 16.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 470 | F | 85.5 | Confident | 84.5 | Confident | 33 Ų | 33 | 47.2 Ų | 47.2 | 15% | 0.145 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -93.5 | 160.4 | 176 | -62.2 | -45.4 | 0 | 0 | 0 | 111.6 | L428 D433 S468 D472 P492 | L428-F470 HydrophobicContact CD1-CB 3.89Å; L428-F470 HydrophobicContact CD1-CD2 3.82Å; L428-F470 HydrophobicContact CD1-CG 4.2Å; L428-F470 HydrophobicContact CD2-CB 4.01Å; L428-F470 HydrophobicContact CG-CB 4.17Å; L428-F470 HydrophobicContact CG-CD2 4.25Å; D433-F470 HydrophobicContact CB-CZ 4.35Å; S468-F470 PolarHBondContact O-N 3.43Å; S468-F470 WeakPolarHBondContact OG-CD2 3.48Å; F470-D472 PolarHBondContact O-N 2.9Å; F470-P492 HydrophobicContact CD1-CB 4.33Å; F470-P492 HydrophobicContact CD1-CG 4.36Å; F470-P492 HydrophobicContact CD2-CB 3.83Å; F470-P492 HydrophobicContact CD2-CG 4.22Å; F470-P492 HydrophobicContact CE1-CB 4.47Å; F470-P492 HydrophobicContact CE1-CG 4.04Å; F470-P492 HydrophobicContact CE2-CB 3.99Å; F470-P492 HydrophobicContact CE2-CG 3.88Å; F470-P492 HydrophobicContact CG-CB 4.06Å; F470-P492 HydrophobicContact CG-CG 4.49Å; F470-P492 HydrophobicContact CZ-CB 4.33Å; F470-P492 HydrophobicContact CZ-CG 3.81Å |
| 471 | E | 90.7 | Very high | 84.1 | Confident | 74 Ų | 74 | 51.2 Ų | 51.2 | 35% | 0.346 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 111.5 | 176.8 | -61.6 | -173.4 | -109.4 | 0 | 0 | 110.4 | V473 V474 R488 V493 G494 | E471-V473 VanDerWaalsContact C-N 3.28Å; E471-V473 PolarHBondContact O-N 3Å; E471-V474 HydrophobicContact CB-CG2 3.95Å; E471-R488 WeakPolarHBondContact OE1-CG 3.39Å; E471-R488 IonicContact OE1-NE 2.71Å; E471-R488 PolarHBondContact OE1-NE 3.22Å; E471-R488 VanDerWaalsContact OE1-NE 3.1Å; E471-R488 IonicContact OE2-CZ 2.82Å; E471-R488 VanDerWaalsContact OE2-CZ 3.23Å; E471-R488 IonicContact OE2-NE 3.61Å; E471-R488 PolarHBondContact OE2-NE 3.06Å; E471-R488 IonicContact OE2-NH2 3.6Å; E471-R488 PolarHBondContact OE2-NH2 2.76Å; E471-V493 WeakPolarHBondContact O-CA 3.35Å; E471-G494 PolarHBondContact O-N 2.86Å |
| 472 | D | 91.6 | Very high | 83.9 | Confident | 29 Ų | 29 | 51.8 Ų | 51.8 | 16% | 0.155 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | -31.4 | 176.2 | -73.4 | -81.7 | 0 | 0 | 0 | 112.6 | H425 L461 S466 F470 G494 I495 | H425-D472 IonicContact CE1-OD1 2.74Å; H425-D472 IonicContact CG-OD1 3.26Å; H425-D472 IonicContact ND1-OD1 2.97Å; H425-D472 PolarHBondContact ND1-OD1 3.16Å; L461-D472 HydrophobicContact CD1-CB 4.23Å; S466-D472 PolarHBondContact OG-OD2 2.9Å; F470-D472 PolarHBondContact O-N 2.9Å; D472-G494 CarbonylContact O-C 3.53Å; D472-G494 WeakPolarHBondContact O-CA 3.14Å; D472-I495 PolarHBondContact O-N 2.58Å |
| 473 | V | 94.9 | Very high | 83.9 | Confident | 29 Ų | 29 | 52.8 Ų | 52.8 | 18% | 0.176 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 129.7 | 174.6 | -170.6 | 0 | 0 | 0 | 0 | 111 | M457 L461 E471 T475 I495 | M457-V473 HydrophobicContact CB-CG2 4.13Å; M457-V473 HydrophobicContact SD-CG1 4.35Å; M457-V473 HydrophobicContact SD-CG2 4.5Å; L461-V473 HydrophobicContact CD1-CG2 3.38Å; E471-V473 VanDerWaalsContact C-N 3.28Å; E471-V473 PolarHBondContact O-N 3Å; V473-T475 HydrophobicContact CG1-CG2 4.06Å; V473-I495 CarbonylContact C-O 3.58Å; V473-I495 WeakPolarHBondContact CA-O 3.44Å; V473-I495 HydrophobicContact CG2-CB 4.5Å |
| 474 | V | 95.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 123 | 166.3 | 171.4 | 0 | 0 | 0 | 0 | 108.3 | E471 I485 R488 V493 I495 L496 L497 | E471-V474 HydrophobicContact CB-CG2 3.95Å; V474-I485 HydrophobicContact CG1-CD1 3.83Å; V474-I485 HydrophobicContact CG1-CG2 4.4Å; V474-R488 HydrophobicContact CG2-CB 4.45Å; V474-V493 HydrophobicContact CB-CG1 4.04Å; V474-V493 HydrophobicContact CG2-CB 4.46Å; V474-V493 HydrophobicContact CG2-CG1 3.62Å; V474-V493 HydrophobicContact CG2-CG2 3.91Å; V474-I495 PolarHBondContact N-O 3.14Å; V474-L496 HydrophobicContact CG1-CD1 4.27Å; V474-L496 WeakPolarHBondContact O-CA 3.26Å; V474-L497 PolarHBondContact O-N 2.63Å |
| 475 | T | 95.8 | Very high | 84.7 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 15% | 0.147 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 139.9 | 175.3 | 50.7 | 0 | 0 | 0 | 0 | 112.3 | E454 V473 W477 I485 L497 | E454-T475 HydrophobicContact CB-CG2 4.42Å; E454-T475 VanDerWaalsContact CD-CG2 3.44Å; E454-T475 HydrophobicContact CG-CG2 3.91Å; E454-T475 WeakPolarHBondContact OE1-CB 3.08Å; E454-T475 WeakPolarHBondContact OE1-CG2 3.2Å; E454-T475 PolarHBondContact OE1-OG1 3.42Å; V473-T475 HydrophobicContact CG1-CG2 4.06Å; T475-W477 HydrophobicContact CG2-CZ2 4.49Å; T475-I485 VanDerWaalsContact O-CD1 3.27Å; T475-I485 WeakPolarHBondContact O-CD1 3.16Å; T475-L497 WeakPolarHBondContact CA-O 3.35Å; T475-L497 HydrophobicContact CG2-CB 4.07Å; T475-L497 HydrophobicContact CG2-CD2 3.95Å; T475-L497 HydrophobicContact CG2-CG 4.21Å |
| 476 | H | 94.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 108.1 | -179.9 | 175.1 | -141.9 | 0 | 0 | 0 | 109.6 | D478 I485 L496 L497 T498 L502 L506 | H476-D478 PolarHBondContact NE2-O 3.32Å; H476-I485 HydrophobicContact CB-CD1 4.17Å; H476-I485 HydrophobicContact CB-CG1 3.97Å; H476-I485 HydrophobicContact CB-CG2 4.11Å; H476-L496 HydrophobicContact CB-CD1 4.38Å; H476-L497 PolarHBondContact N-O 2.72Å; H476-T498 PolarHBondContact ND1-OG1 2.84Å; H476-T498 WeakPolarHBondContact O-CB 3.37Å; H476-T498 PolarHBondContact O-OG1 2.71Å; H476-L502 PolarHBondContact CE1-O 3.18Å; H476-L502 VanDerWaalsContact O-CD1 3.26Å; H476-L502 WeakPolarHBondContact O-CD1 2.99Å; H476-L506 WeakPolarHBondContact ND1-CD1 3.29Å |
| 477 | W | 92.6 | Very high | 86.6 | Confident | 34 Ų | 34 | 53.2 Ų | 53.2 | 13% | 0.129 | 30% | 0.303 | C | S | . | . | trans | -128.1 | -5.8 | -173.7 | -58.3 | 125.8 | 0 | 0 | 0 | 115.3 | C444 Q447 G450 T475 L497 T498 | C444-W477 VanDerWaalsContact SG-CH2 3.51Å; Q447-W477 HydrophobicContact CB-CB 4.41Å; Q447-W477 HydrophobicContact CB-CD2 4.06Å; Q447-W477 HydrophobicContact CB-CE3 4.02Å; Q447-W477 HydrophobicContact CB-CG 4.24Å; Q447-W477 HydrophobicContact CG-CB 3.92Å; Q447-W477 HydrophobicContact CG-CD2 3.84Å; Q447-W477 HydrophobicContact CG-CE3 4.33Å; Q447-W477 HydrophobicContact CG-CG 3.63Å; Q447-W477 VanDerWaalsContact NE2-CB 3.27Å; G450-W477 VanDerWaalsContact CA-CH2 3.47Å; T475-W477 HydrophobicContact CG2-CZ2 4.49Å; W477-L497 HydrophobicContact CH2-CD1 4.15Å; W477-L497 HydrophobicContact CH2-CG 3.93Å; W477-L497 HydrophobicContact CZ2-CD1 4.39Å; W477-L497 HydrophobicContact CZ2-CD2 4.08Å; W477-L497 HydrophobicContact CZ2-CG 3.73Å; W477-T498 VanDerWaalsContact CZ3-C 3.43Å | ||
| 478 | D | 87.3 | Confident | 88 | Confident | 52 Ų | 52 | 51.4 Ų | 51.4 | 28% | 0.278 | 28% | 0.276 | S | S | . | . | trans | -137.3 | 136.3 | -177.6 | 177.3 | 14.3 | 0 | 0 | 0 | 110.7 | H476 T480 Q481 | H476-D478 PolarHBondContact NE2-O 3.32Å; D478-T480 VanDerWaalsContact C-N 3.27Å; D478-T480 PolarHBondContact O-N 3.48Å; D478-T480 PolarHBondContact OD1-N 2.68Å; D478-T480 PolarHBondContact OD2-OG1 3.02Å; D478-Q481 HydrophobicContact CB-CG 4.03Å; D478-Q481 WeakPolarHBondContact O-CB 3.14Å; D478-Q481 PolarHBondContact O-N 3.05Å; D478-Q481 VanDerWaalsContact O-N 3.17Å | ||
| 479 | K | 82.8 | Confident | 89.3 | Confident | 106 Ų | 106 | 49.8 Ų | 49.8 | 46% | 0.461 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -68.5 | -25.5 | -178.7 | -59.2 | -170.7 | 172.7 | 169.6 | 0 | 112.3 | Q481 D501 L502 Q505 | K479-Q481 VanDerWaalsContact C-N 3.25Å; K479-Q481 PolarHBondContact O-N 2.84Å; K479-D501 WeakPolarHBondContact CE-OD2 3.29Å; K479-D501 IonicContact NZ-OD2 3.36Å; K479-D501 PolarHBondContact NZ-OD2 3.14Å; K479-L502 HydrophobicContact CD-CD2 4.25Å; K479-L502 HydrophobicContact CG-CD2 3.44Å; K479-L502 VanDerWaalsContact CG-CD2 3.44Å; K479-Q505 VanDerWaalsContact CG-OE1 3.27Å |
| 480 | T | 85.1 | Confident | 90 | Very high | 93 Ų | 93 | 51.9 Ų | 51.9 | 57% | 0.571 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -66.8 | -29.5 | 173.7 | 78.1 | 0 | 0 | 0 | 0 | 111.9 | D478 L482 | D478-T480 VanDerWaalsContact C-N 3.27Å; D478-T480 PolarHBondContact O-N 3.48Å; D478-T480 PolarHBondContact OD1-N 2.68Å; D478-T480 PolarHBondContact OD2-OG1 3.02Å; T480-L482 VanDerWaalsContact C-N 3.27Å; T480-L482 PolarHBondContact O-N 3.24Å |
| 481 | Q | 86.2 | Confident | 90.2 | Very high | 84 Ų | 84 | 57 Ų | 57 | 39% | 0.393 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -81.8 | -1.2 | -174 | -60.7 | 177.7 | -4.7 | 0 | 0 | 113.6 | D478 K479 V483 D484 I485 | D478-Q481 HydrophobicContact CB-CG 4.03Å; D478-Q481 WeakPolarHBondContact O-CB 3.14Å; D478-Q481 PolarHBondContact O-N 3.05Å; D478-Q481 VanDerWaalsContact O-N 3.17Å; K479-Q481 VanDerWaalsContact C-N 3.25Å; K479-Q481 PolarHBondContact O-N 2.84Å; Q481-V483 PolarHBondContact O-N 3.4Å; Q481-D484 WeakPolarHBondContact O-CB 3.37Å; Q481-D484 PolarHBondContact O-N 3.05Å; Q481-I485 HydrophobicContact CB-CG1 4.45Å; Q481-I485 PolarHBondContact O-N 3.46Å; Q481-I485 VanDerWaalsContact O-N 3.08Å |
| 482 | L | 86.4 | Confident | 90.3 | Very high | 21 Ų | 21 | 53.5 Ų | 53.5 | 11% | 0.11 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -48.7 | -38.7 | -175.4 | -173.8 | 71.6 | 0 | 0 | 0 | 113.1 | T480 V486 Q505 L506 H509 | T480-L482 VanDerWaalsContact C-N 3.27Å; T480-L482 PolarHBondContact O-N 3.24Å; L482-V486 HydrophobicContact CG-CG2 4.47Å; L482-V486 VanDerWaalsContact O-CB 3.31Å; L482-V486 WeakPolarHBondContact O-CB 3.42Å; L482-V486 WeakPolarHBondContact O-CG2 3.25Å; L482-V486 PolarHBondContact O-N 3.27Å; L482-Q505 HydrophobicContact CD1-CG 4.14Å; L482-Q505 HydrophobicContact CD2-CG 4.22Å; L482-L506 HydrophobicContact CD1-CD2 3.6Å; L482-L506 HydrophobicContact CD1-CG 3.97Å; L482-H509 HydrophobicContact CD2-CB 4.43Å |
| 483 | V | 87.4 | Confident | 90.4 | Very high | 118 Ų | 118 | 52.2 Ų | 52.2 | 72% | 0.715 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -71.7 | -35.3 | -179.6 | -176.2 | 0 | 0 | 0 | 0 | 112.6 | Q481 R487 | Q481-V483 PolarHBondContact O-N 3.4Å; V483-R487 WeakPolarHBondContact O-CB 3.4Å; V483-R487 PolarHBondContact O-N 3.07Å; V483-R487 VanDerWaalsContact O-N 3.08Å |
| 484 | D | 90.8 | Very high | 90.4 | Very high | 46 Ų | 46 | 50.9 Ų | 50.9 | 25% | 0.246 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.9 | -49 | 172.6 | 173.4 | 68.9 | 0 | 0 | 0 | 110.9 | Q481 V486 R487 R488 | Q481-D484 WeakPolarHBondContact O-CB 3.37Å; Q481-D484 PolarHBondContact O-N 3.05Å; D484-V486 PolarHBondContact O-N 3.31Å; D484-R487 CarbonylContact O-C 3.55Å; D484-R487 WeakPolarHBondContact O-CA 3.38Å; D484-R487 WeakPolarHBondContact O-CB 3.35Å; D484-R487 PolarHBondContact O-N 3.09Å; D484-R487 IonicContact OD1-CZ 2.77Å; D484-R487 IonicContact OD1-NH1 2.68Å; D484-R487 PolarHBondContact OD1-NH1 3.12Å; D484-R487 IonicContact OD1-NH2 3.78Å; D484-R487 PolarHBondContact OD1-NH2 3.49Å; D484-R488 WeakPolarHBondContact O-CG 3.37Å; D484-R488 PolarHBondContact O-N 3.45Å; D484-R488 WeakPolarHBondContact OD2-CD 3.49Å; D484-R488 IonicContact OD2-CZ 3.2Å; D484-R488 IonicContact OD2-NE 3.67Å; D484-R488 IonicContact OD2-NH1 2.72Å; D484-R488 PolarHBondContact OD2-NH1 3.13Å |
| 485 | I | 92 | Very high | 90.5 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.8 | -44.6 | -178.2 | -57.8 | -58.3 | 0 | 0 | 0 | 110.6 | V474 T475 H476 Q481 R487 R488 L489 L496 L506 | V474-I485 HydrophobicContact CG1-CD1 3.83Å; V474-I485 HydrophobicContact CG1-CG2 4.4Å; T475-I485 VanDerWaalsContact O-CD1 3.27Å; T475-I485 WeakPolarHBondContact O-CD1 3.16Å; H476-I485 HydrophobicContact CB-CD1 4.17Å; H476-I485 HydrophobicContact CB-CG1 3.97Å; H476-I485 HydrophobicContact CB-CG2 4.11Å; Q481-I485 HydrophobicContact CB-CG1 4.45Å; Q481-I485 PolarHBondContact O-N 3.46Å; Q481-I485 VanDerWaalsContact O-N 3.08Å; I485-R487 VanDerWaalsContact C-N 3.26Å; I485-R487 PolarHBondContact O-N 3.3Å; I485-R488 PolarHBondContact O-N 2.94Å; I485-L489 HydrophobicContact CG2-CD1 3.81Å; I485-L489 HydrophobicContact CG2-CG 4.22Å; I485-L489 WeakPolarHBondContact O-CB 3.17Å; I485-L489 VanDerWaalsContact O-CG 3.27Å; I485-L489 WeakPolarHBondContact O-CG 3.45Å; I485-L489 PolarHBondContact O-N 2.71Å; I485-L496 HydrophobicContact CG2-CD1 4.46Å; I485-L506 HydrophobicContact CG2-CD1 4.18Å; I485-L506 HydrophobicContact CG2-CD2 4.05Å |
| 486 | V | 90.1 | Very high | 90.6 | Very high | 24 Ų | 24 | 49.7 Ų | 49.7 | 15% | 0.145 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.9 | -31.9 | 173 | 168.8 | 0 | 0 | 0 | 0 | 112 | L482 D484 K490 L506 I515 | L482-V486 HydrophobicContact CG-CG2 4.47Å; L482-V486 VanDerWaalsContact O-CB 3.31Å; L482-V486 WeakPolarHBondContact O-CB 3.42Å; L482-V486 WeakPolarHBondContact O-CG2 3.25Å; L482-V486 PolarHBondContact O-N 3.27Å; D484-V486 PolarHBondContact O-N 3.31Å; V486-K490 WeakPolarHBondContact O-CG 3.22Å; V486-L506 HydrophobicContact CG2-CD2 3.73Å; V486-I515 HydrophobicContact CG1-CG1 4.41Å; V486-I515 HydrophobicContact CG2-CD1 4.01Å; V486-I515 HydrophobicContact CG2-CG1 4.4Å |
| 487 | R | 89.3 | Confident | 90.7 | Very high | 145 Ų | 145 | 49.7 Ų | 49.7 | 55% | 0.547 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -70.2 | -44.9 | 172.7 | 168.2 | 172.4 | 46.2 | 48.9 | -2.3 | 112 | V483 D484 I485 K490 | V483-R487 WeakPolarHBondContact O-CB 3.4Å; V483-R487 PolarHBondContact O-N 3.07Å; V483-R487 VanDerWaalsContact O-N 3.08Å; D484-R487 CarbonylContact O-C 3.55Å; D484-R487 WeakPolarHBondContact O-CA 3.38Å; D484-R487 WeakPolarHBondContact O-CB 3.35Å; D484-R487 PolarHBondContact O-N 3.09Å; D484-R487 IonicContact OD1-CZ 2.77Å; D484-R487 IonicContact OD1-NH1 2.68Å; D484-R487 PolarHBondContact OD1-NH1 3.12Å; D484-R487 IonicContact OD1-NH2 3.78Å; D484-R487 PolarHBondContact OD1-NH2 3.49Å; I485-R487 VanDerWaalsContact C-N 3.26Å; I485-R487 PolarHBondContact O-N 3.3Å; R487-K490 WeakPolarHBondContact O-CB 3.37Å; R487-K490 PolarHBondContact O-N 2.91Å |
| 488 | R | 91.8 | Very high | 91 | Very high | 60 Ų | 60 | 48.1 Ų | 48.1 | 23% | 0.226 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.5 | -44.6 | -178.7 | -71.9 | 161 | 71.9 | -171.2 | 2.3 | 111.5 | E471 V474 D484 I485 K490 K491 | E471-R488 WeakPolarHBondContact OE1-CG 3.39Å; E471-R488 IonicContact OE1-NE 2.71Å; E471-R488 PolarHBondContact OE1-NE 3.22Å; E471-R488 VanDerWaalsContact OE1-NE 3.1Å; E471-R488 IonicContact OE2-CZ 2.82Å; E471-R488 VanDerWaalsContact OE2-CZ 3.23Å; E471-R488 IonicContact OE2-NE 3.61Å; E471-R488 PolarHBondContact OE2-NE 3.06Å; E471-R488 IonicContact OE2-NH2 3.6Å; E471-R488 PolarHBondContact OE2-NH2 2.76Å; V474-R488 HydrophobicContact CG2-CB 4.45Å; D484-R488 WeakPolarHBondContact O-CG 3.37Å; D484-R488 PolarHBondContact O-N 3.45Å; D484-R488 WeakPolarHBondContact OD2-CD 3.49Å; D484-R488 IonicContact OD2-CZ 3.2Å; D484-R488 IonicContact OD2-NE 3.67Å; D484-R488 IonicContact OD2-NH1 2.72Å; D484-R488 PolarHBondContact OD2-NH1 3.13Å; I485-R488 PolarHBondContact O-N 2.94Å; R488-K490 PolarHBondContact O-N 3.17Å; R488-K491 PolarHBondContact O-N 2.89Å; R488-K491 VanDerWaalsContact O-N 3.13Å |
| 489 | L | 91.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -6.2 | 177.7 | -62.1 | 177.4 | 0 | 0 | 0 | 114.7 | G437 I485 K491 V493 L496 I515 | G437-L489 WeakPolarHBondContact CA-O 3.26Å; G437-L489 PolarHBondContact N-O 2.94Å; I485-L489 HydrophobicContact CG2-CD1 3.81Å; I485-L489 HydrophobicContact CG2-CG 4.22Å; I485-L489 WeakPolarHBondContact O-CB 3.17Å; I485-L489 VanDerWaalsContact O-CG 3.27Å; I485-L489 WeakPolarHBondContact O-CG 3.45Å; I485-L489 PolarHBondContact O-N 2.71Å; L489-K491 PolarHBondContact O-N 2.92Å; L489-V493 HydrophobicContact CD2-CB 4.38Å; L489-V493 HydrophobicContact CD2-CG1 4.42Å; L489-V493 HydrophobicContact CD2-CG2 4.19Å; L489-L496 HydrophobicContact CD1-CD1 4.38Å; L489-L496 HydrophobicContact CD1-CD2 4Å; L489-L496 HydrophobicContact CD2-CD1 4.46Å; L489-I515 HydrophobicContact CB-CG2 3.53Å; L489-I515 HydrophobicContact CD1-CG2 3.97Å; L489-I515 HydrophobicContact CG-CG2 4.42Å; L489-I515 VanDerWaalsContact O-O 3.07Å |
| 490 | K | 89.1 | Confident | 91.9 | Very high | 117 Ų | 117 | 41.2 Ų | 41.2 | 51% | 0.509 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -10.7 | 169.7 | -75.5 | 172.4 | -177.1 | -177.4 | 0 | 113.8 | R436 V486 R487 R488 | R436-K490 WeakPolarHBondContact CG-O 3.43Å; V486-K490 WeakPolarHBondContact O-CG 3.22Å; R487-K490 WeakPolarHBondContact O-CB 3.37Å; R487-K490 PolarHBondContact O-N 2.91Å; R488-K490 PolarHBondContact O-N 3.17Å |
| 491 | K | 90.1 | Very high | 92.2 | Very high | 141 Ų | 141 | 38.4 Ų | 38.4 | 61% | 0.613 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -105.4 | 168.3 | 170.1 | -70.6 | -172.7 | 175.3 | -172 | 0 | 110.5 | G435 G437 R488 L489 | G435-K491 CarbonylContact O-C 3.52Å; G437-K491 WeakPolarHBondContact CA-O 3.21Å; G437-K491 PolarHBondContact N-O 3.24Å; R488-K491 PolarHBondContact O-N 2.89Å; R488-K491 VanDerWaalsContact O-N 3.13Å; L489-K491 PolarHBondContact O-N 2.92Å |
| 492 | P | 92.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 139.9 | 166.7 | -20.1 | 33.9 | 0 | 0 | 0 | 111.1 | L428 R431 G435 F470 | L428-P492 HydrophobicContact CD1-CB 3.79Å; R431-P492 HydrophobicContact CB-CB 4.22Å; R431-P492 HydrophobicContact CB-CG 4.49Å; G435-P492 WeakPolarHBondContact O-CD 3.4Å; G435-P492 WeakPolarHBondContact O-CG 3.31Å; F470-P492 HydrophobicContact CD1-CB 4.33Å; F470-P492 HydrophobicContact CD1-CG 4.36Å; F470-P492 HydrophobicContact CD2-CB 3.83Å; F470-P492 HydrophobicContact CD2-CG 4.22Å; F470-P492 HydrophobicContact CE1-CB 4.47Å; F470-P492 HydrophobicContact CE1-CG 4.04Å; F470-P492 HydrophobicContact CE2-CB 3.99Å; F470-P492 HydrophobicContact CE2-CG 3.88Å; F470-P492 HydrophobicContact CG-CB 4.06Å; F470-P492 HydrophobicContact CG-CG 4.49Å; F470-P492 HydrophobicContact CZ-CB 4.33Å; F470-P492 HydrophobicContact CZ-CG 3.81Å |
| 493 | V | 93.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 147 | 178.5 | 168 | 0 | 0 | 0 | 0 | 108.5 | G437 P438 T439 E471 V474 L489 | G437-V493 PolarHBondContact O-N 2.9Å; P438-V493 CarbonylContact C-O 3.53Å; P438-V493 VanDerWaalsContact CA-O 3.27Å; P438-V493 WeakPolarHBondContact CA-O 3.41Å; T439-V493 PolarHBondContact N-O 2.77Å; T439-V493 PolarHBondContact OG1-O 3.16Å; E471-V493 WeakPolarHBondContact O-CA 3.35Å; V474-V493 HydrophobicContact CB-CG1 4.04Å; V474-V493 HydrophobicContact CG2-CB 4.46Å; V474-V493 HydrophobicContact CG2-CG1 3.62Å; V474-V493 HydrophobicContact CG2-CG2 3.91Å; L489-V493 HydrophobicContact CD2-CB 4.38Å; L489-V493 HydrophobicContact CD2-CG1 4.42Å; L489-V493 HydrophobicContact CD2-CG2 4.19Å |
| 494 | G | 94.2 | Very high | 93 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | -71.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T439 C440 E471 D472 | T439-G494 WeakPolarHBondContact CA-O 3.33Å; T439-G494 WeakPolarHBondContact CB-O 3.49Å; T439-G494 PolarHBondContact N-O 2.95Å; C440-G494 PolarHBondContact N-O 2.98Å; E471-G494 PolarHBondContact O-N 2.86Å; D472-G494 CarbonylContact O-C 3.53Å; D472-G494 WeakPolarHBondContact O-CA 3.14Å |
| 495 | I | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 129.3 | -175.2 | -50.1 | 178.9 | 0 | 0 | 0 | 110.6 | V420 C440 F442 M457 L461 D472 V473 V474 | V420-I495 HydrophobicContact CG1-CD1 4.21Å; C440-I495 HydrophobicContact CB-CG1 4.32Å; C440-I495 HydrophobicContact CB-CG2 4.46Å; C440-I495 CarbonylContact O-C 3.56Å; C440-I495 WeakPolarHBondContact O-CA 3.35Å; F442-I495 HydrophobicContact CB-CG2 4.02Å; M457-I495 HydrophobicContact CE-CD1 4.04Å; M457-I495 HydrophobicContact CE-CG2 3.92Å; M457-I495 HydrophobicContact CG-CD1 4.4Å; M457-I495 HydrophobicContact SD-CD1 4Å; M457-I495 HydrophobicContact SD-CG2 4.14Å; L461-I495 HydrophobicContact CD1-CD1 4.32Å; D472-I495 PolarHBondContact O-N 2.58Å; V473-I495 CarbonylContact C-O 3.58Å; V473-I495 WeakPolarHBondContact CA-O 3.44Å; V473-I495 HydrophobicContact CG2-CB 4.5Å; V474-I495 PolarHBondContact N-O 3.14Å |
| 496 | L | 97.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 115.8 | 162.5 | 171.4 | 62.4 | 0 | 0 | 0 | 108.8 | P438 C440 F442 V474 H476 I485 L489 T498 L506 | P438-L496 HydrophobicContact CB-CB 3.77Å; P438-L496 HydrophobicContact CG-CB 3.93Å; P438-L496 HydrophobicContact CG-CD2 4.43Å; C440-L496 PolarHBondContact O-N 2.89Å; F442-L496 PolarHBondContact N-O 3.42Å; V474-L496 HydrophobicContact CG1-CD1 4.27Å; V474-L496 WeakPolarHBondContact O-CA 3.26Å; H476-L496 HydrophobicContact CB-CD1 4.38Å; I485-L496 HydrophobicContact CG2-CD1 4.46Å; L489-L496 HydrophobicContact CD1-CD1 4.38Å; L489-L496 HydrophobicContact CD1-CD2 4Å; L489-L496 HydrophobicContact CD2-CD1 4.46Å; L496-T498 HydrophobicContact CG-CG2 4.45Å; L496-L506 HydrophobicContact CD2-CD1 4.16Å |
| 497 | L | 98.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 122 | 179.4 | 168.3 | 68.4 | 0 | 0 | 0 | 110.8 | F442 I453 E454 M457 V474 T475 H476 W477 | F442-L497 HydrophobicContact CB-CB 4.38Å; F442-L497 HydrophobicContact CB-CD1 3.9Å; F442-L497 HydrophobicContact CD1-CD1 3.51Å; F442-L497 HydrophobicContact CE1-CD1 4.35Å; F442-L497 HydrophobicContact CG-CD1 3.95Å; F442-L497 WeakPolarHBondContact O-CA 3.46Å; I453-L497 HydrophobicContact CB-CD2 4.46Å; I453-L497 HydrophobicContact CG2-CD1 4.37Å; I453-L497 HydrophobicContact CG2-CD2 4.25Å; E454-L497 HydrophobicContact CB-CD2 3.91Å; M457-L497 HydrophobicContact SD-CD2 3.99Å; V474-L497 PolarHBondContact O-N 2.63Å; T475-L497 WeakPolarHBondContact CA-O 3.35Å; T475-L497 HydrophobicContact CG2-CB 4.07Å; T475-L497 HydrophobicContact CG2-CD2 3.95Å; T475-L497 HydrophobicContact CG2-CG 4.21Å; H476-L497 PolarHBondContact N-O 2.72Å; W477-L497 HydrophobicContact CH2-CD1 4.15Å; W477-L497 HydrophobicContact CH2-CG 3.93Å; W477-L497 HydrophobicContact CZ2-CD1 4.39Å; W477-L497 HydrophobicContact CZ2-CD2 4.08Å; W477-L497 HydrophobicContact CZ2-CG 3.73Å |
| 498 | T | 97.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160 | -175.1 | -169.2 | -165.7 | 0 | 0 | 0 | 0 | 113.4 | F442 V443 C444 H476 W477 L496 L502 L503 | F442-T498 PolarHBondContact O-N 2.94Å; V443-T498 WeakPolarHBondContact CA-O 3.46Å; C444-T498 PolarHBondContact N-O 2.98Å; H476-T498 PolarHBondContact ND1-OG1 2.84Å; H476-T498 WeakPolarHBondContact O-CB 3.37Å; H476-T498 PolarHBondContact O-OG1 2.71Å; W477-T498 VanDerWaalsContact CZ3-C 3.43Å; L496-T498 HydrophobicContact CG-CG2 4.45Å; T498-L502 VanDerWaalsContact OG1-CB 3.31Å; T498-L502 WeakPolarHBondContact OG1-CB 3.31Å; T498-L503 HydrophobicContact CG2-CB 3.88Å |
| 499 | S | 95.5 | Very high | 91.2 | Very high | 10 Ų | 10 | 28.6 Ų | 28.6 | 7% | 0.07 | 14% | 0.136 | C | C | . | . | trans | -104.2 | 168.9 | 172.8 | 63.3 | 0 | 0 | 0 | 0 | 112.6 | D501 L502 L503 | S499-D501 PolarHBondContact OG-OD1 3.05Å; S499-L502 PolarHBondContact O-N 3.1Å; S499-L502 WeakPolarHBondContact OG-CB 3.43Å; S499-L502 VanDerWaalsContact OG-CD1 3.31Å; S499-L502 WeakPolarHBondContact OG-CD1 3.31Å; S499-L502 VanDerWaalsContact OG-CG 3.24Å; S499-L502 WeakPolarHBondContact OG-CG 3.17Å; S499-L503 WeakPolarHBondContact O-CB 3.4Å; S499-L503 PolarHBondContact O-N 3.19Å | ||
| 500 | V | 94.4 | Very high | 89.8 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.5 | -49.1 | -177.4 | 171.5 | 0 | 0 | 0 | 0 | 113 | V443 L503 L504 M532 L536 D539 L543 | V443-V500 HydrophobicContact CG1-CG2 3.76Å; V500-L503 PolarHBondContact O-N 3.42Å; V500-L504 PolarHBondContact O-N 3.48Å; V500-M532 HydrophobicContact CG2-CB 4.02Å; V500-M532 HydrophobicContact CG2-CG 4.08Å; V500-M532 HydrophobicContact CG2-SD 3.54Å; V500-M532 VanDerWaalsContact CG2-SD 3.54Å; V500-L536 HydrophobicContact CB-CD1 4.31Å; V500-D539 VanDerWaalsContact CG1-C 3.47Å; V500-D539 HydrophobicContact CG1-CB 4.16Å; V500-D539 WeakPolarHBondContact CG1-O 3.3Å; V500-L543 HydrophobicContact CB-CD2 4.38Å; V500-L543 HydrophobicContact CG1-CB 4.26Å; V500-L543 HydrophobicContact CG1-CD2 4.08Å; V500-L543 HydrophobicContact CG2-CD2 4.13Å |
| 501 | D | 91.3 | Very high | 88.2 | Confident | 34 Ų | 34 | 30.7 Ų | 30.7 | 18% | 0.182 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.2 | -37.6 | -177.8 | 63.8 | -42.4 | 0 | 0 | 0 | 112.2 | K479 S499 L504 Q505 L536 | K479-D501 WeakPolarHBondContact CE-OD2 3.29Å; K479-D501 IonicContact NZ-OD2 3.36Å; K479-D501 PolarHBondContact NZ-OD2 3.14Å; S499-D501 PolarHBondContact OG-OD1 3.05Å; D501-L504 PolarHBondContact O-N 2.84Å; D501-Q505 WeakPolarHBondContact O-CB 3.42Å; D501-Q505 PolarHBondContact O-N 2.78Å; D501-L536 HydrophobicContact CB-CD1 3.91Å |
| 502 | L | 93.2 | Very high | 86.3 | Confident | 6 Ų | 6 | 29.5 Ų | 29.5 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.7 | -36.3 | 176.7 | -68.5 | -178.7 | 0 | 0 | 0 | 112.5 | H476 K479 T498 S499 Q505 L506 | H476-L502 PolarHBondContact CE1-O 3.18Å; H476-L502 VanDerWaalsContact O-CD1 3.26Å; H476-L502 WeakPolarHBondContact O-CD1 2.99Å; K479-L502 HydrophobicContact CD-CD2 4.25Å; K479-L502 HydrophobicContact CG-CD2 3.44Å; K479-L502 VanDerWaalsContact CG-CD2 3.44Å; T498-L502 VanDerWaalsContact OG1-CB 3.31Å; T498-L502 WeakPolarHBondContact OG1-CB 3.31Å; S499-L502 PolarHBondContact O-N 3.1Å; S499-L502 WeakPolarHBondContact OG-CB 3.43Å; S499-L502 VanDerWaalsContact OG-CD1 3.31Å; S499-L502 WeakPolarHBondContact OG-CD1 3.31Å; S499-L502 VanDerWaalsContact OG-CG 3.24Å; S499-L502 WeakPolarHBondContact OG-CG 3.17Å; L502-Q505 PolarHBondContact O-N 2.89Å; L502-L506 PolarHBondContact O-N 2.82Å; L502-L506 VanDerWaalsContact O-N 3.12Å |
| 503 | L | 93.3 | Very high | 84.7 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.9 | -47.9 | 169.6 | -178.3 | 56.5 | 0 | 0 | 0 | 110.9 | I441 V443 T498 S499 V500 Q505 L506 L507 L543 | I441-L503 HydrophobicContact CG2-CD1 4.22Å; I441-L503 HydrophobicContact CG2-CD2 3.87Å; V443-L503 HydrophobicContact CG2-CD2 3.63Å; T498-L503 HydrophobicContact CG2-CB 3.88Å; S499-L503 WeakPolarHBondContact O-CB 3.4Å; S499-L503 PolarHBondContact O-N 3.19Å; V500-L503 PolarHBondContact O-N 3.42Å; L503-Q505 VanDerWaalsContact C-N 3.25Å; L503-Q505 PolarHBondContact O-N 3.06Å; L503-L506 WeakPolarHBondContact O-CB 3.07Å; L503-L506 PolarHBondContact O-N 2.68Å; L503-L506 VanDerWaalsContact O-N 3.16Å; L503-L507 HydrophobicContact CD1-CD1 4.16Å; L503-L507 HydrophobicContact CD1-CG 4.07Å; L503-L507 HydrophobicContact CG-CD1 3.98Å; L503-L507 HydrophobicContact CG-CG 4.3Å; L503-L507 VanDerWaalsContact O-CG 3.28Å; L503-L507 WeakPolarHBondContact O-CG 3.5Å; L503-L507 PolarHBondContact O-N 3.5Å; L503-L543 HydrophobicContact CD2-CD1 3.72Å; L503-L543 HydrophobicContact CD2-CD2 4.05Å; L503-L543 HydrophobicContact CG-CD1 4.13Å |
| 504 | L | 90.8 | Very high | 83.5 | Confident | 8 Ų | 8 | 34.1 Ų | 34.1 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.3 | -36.7 | 175.1 | -80.9 | -175.7 | 0 | 0 | 0 | 112.4 | V500 D501 L507 N508 D539 K542 L543 | V500-L504 PolarHBondContact O-N 3.48Å; D501-L504 PolarHBondContact O-N 2.84Å; L504-L507 CarbonylContact O-C 3.53Å; L504-L507 PolarHBondContact O-N 3.02Å; L504-N508 WeakPolarHBondContact O-CB 3.5Å; L504-N508 PolarHBondContact O-N 2.93Å; L504-N508 PolarHBondContact O-ND2 3.38Å; L504-D539 HydrophobicContact CD1-CB 3.84Å; L504-D539 VanDerWaalsContact CD1-O 3.29Å; L504-D539 WeakPolarHBondContact CD1-O 3.42Å; L504-K542 HydrophobicContact CD1-CB 3.97Å; L504-K542 HydrophobicContact CD1-CD 4.48Å; L504-L543 HydrophobicContact CD2-CB 4.2Å; L504-L543 HydrophobicContact CD2-CD1 4.3Å; L504-L543 HydrophobicContact CG-CB 4.26Å |
| 505 | Q | 88.8 | Confident | 82.6 | Confident | 40 Ų | 40 | 34.5 Ų | 34.5 | 19% | 0.187 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61 | -48.5 | 174.8 | -170.1 | 172.4 | -7.5 | 0 | 0 | 111.1 | K479 L482 D501 L502 L503 L507 N508 H509 | K479-Q505 VanDerWaalsContact CG-OE1 3.27Å; L482-Q505 HydrophobicContact CD1-CG 4.14Å; L482-Q505 HydrophobicContact CD2-CG 4.22Å; D501-Q505 WeakPolarHBondContact O-CB 3.42Å; D501-Q505 PolarHBondContact O-N 2.78Å; L502-Q505 PolarHBondContact O-N 2.89Å; L503-Q505 VanDerWaalsContact C-N 3.25Å; L503-Q505 PolarHBondContact O-N 3.06Å; Q505-L507 VanDerWaalsContact C-N 3.33Å; Q505-L507 PolarHBondContact O-N 3.06Å; Q505-N508 PolarHBondContact O-N 3.31Å; Q505-H509 PolarHBondContact O-CD2 3.29Å; Q505-H509 VanDerWaalsContact O-CD2 3.27Å; Q505-H509 PolarHBondContact O-N 2.85Å |
| 506 | L | 88.9 | Confident | 81.9 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.6 | -44.7 | 172.8 | -74.3 | 165 | 0 | 0 | 0 | 112.3 | H476 L482 I485 V486 L496 L502 L503 N508 I515 | H476-L506 WeakPolarHBondContact ND1-CD1 3.29Å; L482-L506 HydrophobicContact CD1-CD2 3.6Å; L482-L506 HydrophobicContact CD1-CG 3.97Å; I485-L506 HydrophobicContact CG2-CD1 4.18Å; I485-L506 HydrophobicContact CG2-CD2 4.05Å; V486-L506 HydrophobicContact CG2-CD2 3.73Å; L496-L506 HydrophobicContact CD2-CD1 4.16Å; L502-L506 PolarHBondContact O-N 2.82Å; L502-L506 VanDerWaalsContact O-N 3.12Å; L503-L506 WeakPolarHBondContact O-CB 3.07Å; L503-L506 PolarHBondContact O-N 2.68Å; L503-L506 VanDerWaalsContact O-N 3.16Å; L506-N508 VanDerWaalsContact C-N 3.34Å; L506-N508 PolarHBondContact O-N 2.93Å; L506-I515 HydrophobicContact CD2-CD1 4.33Å; L506-I515 WeakPolarHBondContact O-CD1 3.41Å |
| 507 | L | 85.2 | Confident | 81.4 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 6% | 0.058 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -75.1 | -15.9 | -178.1 | -64.1 | -178 | 0 | 0 | 0 | 114.7 | L503 L504 Q505 F516 L543 R546 M550 | L503-L507 HydrophobicContact CD1-CD1 4.16Å; L503-L507 HydrophobicContact CD1-CG 4.07Å; L503-L507 HydrophobicContact CG-CD1 3.98Å; L503-L507 HydrophobicContact CG-CG 4.3Å; L503-L507 VanDerWaalsContact O-CG 3.28Å; L503-L507 WeakPolarHBondContact O-CG 3.5Å; L503-L507 PolarHBondContact O-N 3.5Å; L504-L507 CarbonylContact O-C 3.53Å; L504-L507 PolarHBondContact O-N 3.02Å; Q505-L507 VanDerWaalsContact C-N 3.33Å; Q505-L507 PolarHBondContact O-N 3.06Å; L507-F516 HydrophobicContact CD2-CE1 4.25Å; L507-F516 HydrophobicContact CD2-CZ 3.94Å; L507-L543 HydrophobicContact CD1-CD1 4.13Å; L507-R546 PolarHBondContact O-NH1 3.47Å; L507-M550 HydrophobicContact CD1-SD 4.15Å; L507-M550 HydrophobicContact CD2-CE 3.69Å; L507-M550 HydrophobicContact CD2-SD 3.79Å; L507-M550 HydrophobicContact CG-SD 4.45Å |
| 508 | N | 81.3 | Confident | 80.8 | Confident | 104 Ų | 104 | 39.5 Ų | 39.5 | 56% | 0.556 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -99.6 | -33.1 | -179.9 | -69.9 | -17.6 | 0 | 0 | 0 | 112.2 | L504 Q505 L506 N510 R546 | L504-N508 WeakPolarHBondContact O-CB 3.5Å; L504-N508 PolarHBondContact O-N 2.93Å; L504-N508 PolarHBondContact O-ND2 3.38Å; Q505-N508 PolarHBondContact O-N 3.31Å; L506-N508 VanDerWaalsContact C-N 3.34Å; L506-N508 PolarHBondContact O-N 2.93Å; N508-N510 PolarHBondContact O-N 2.89Å; N508-R546 PolarHBondContact OD1-NH1 3.23Å |
| 509 | H | 71 | Confident | 80.3 | Confident | 120 Ų | 120 | 43.8 Ų | 43.8 | 56% | 0.556 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -73.4 | -7.1 | 177.1 | -84.1 | -81.3 | 0 | 0 | 0 | 114 | L482 Q505 | L482-H509 HydrophobicContact CD2-CB 4.43Å; Q505-H509 PolarHBondContact O-CD2 3.29Å; Q505-H509 VanDerWaalsContact O-CD2 3.27Å; Q505-H509 PolarHBondContact O-N 2.85Å |
| 510 | N | 63.1 | Low | 80 | Confident | 46 Ų | 46 | 43.7 Ų | 43.7 | 25% | 0.246 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -145 | 110.6 | -176.8 | -86.2 | -83.8 | 0 | 0 | 0 | 111.3 | N508 V512 S514 I515 | N508-N510 PolarHBondContact O-N 2.89Å; N510-V512 PolarHBondContact O-N 3.03Å; N510-S514 VanDerWaalsContact CB-OG 3.3Å; N510-S514 WeakPolarHBondContact CB-OG 3.22Å; N510-S514 VanDerWaalsContact CG-OG 3.28Å; N510-S514 PolarHBondContact OD1-OG 2.83Å; N510-I515 HydrophobicContact CB-CD1 3.65Å; N510-I515 HydrophobicContact CB-CG1 3.65Å |
| 511 | P | 55.3 | Low | 79.9 | Confident | 115 Ų | 115 | 43.7 Ų | 43.7 | 75% | 0.747 | 26% | 0.255 | S | S | * | . | trans | -68.8 | 117.4 | 172.4 | 27.9 | -32.2 | 0 | 0 | 0 | 110.4 | ||||
| 512 | V | 51.1 | Low | 80.1 | Confident | 116 Ų | 116 | 46.3 Ų | 46.3 | 70% | 0.703 | 27% | 0.265 | S | S | * | . | S | Bend | trans | 26 | 103.2 | 164.6 | -170 | 0 | 0 | 0 | 0 | 116.7 | N510 | N510-V512 PolarHBondContact O-N 3.03Š|
| 513 | G | 57.9 | Low | 80.2 | Confident | 52 Ų | 52 | 46.4 Ų | 46.4 | 54% | 0.536 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 103.6 | -10.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 514 | S | 68.3 | Low | 80.3 | Confident | 47 Ų | 47 | 46.3 Ų | 46.3 | 33% | 0.329 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -75.3 | -41.6 | 179.9 | 58.9 | 0 | 0 | 0 | 0 | 114.1 | N510 | N510-S514 VanDerWaalsContact CB-OG 3.3Å; N510-S514 WeakPolarHBondContact CB-OG 3.22Å; N510-S514 VanDerWaalsContact CG-OG 3.28Å; N510-S514 PolarHBondContact OD1-OG 2.83Å |
| 515 | I | 76 | Confident | 80.7 | Confident | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -77.6 | -61.9 | 176.9 | -51.1 | 173.7 | 0 | 0 | 0 | 109.7 | V486 L489 L506 N510 | V486-I515 HydrophobicContact CG1-CG1 4.41Å; V486-I515 HydrophobicContact CG2-CD1 4.01Å; V486-I515 HydrophobicContact CG2-CG1 4.4Å; L489-I515 HydrophobicContact CB-CG2 3.53Å; L489-I515 HydrophobicContact CD1-CG2 3.97Å; L489-I515 HydrophobicContact CG-CG2 4.42Å; L489-I515 VanDerWaalsContact O-O 3.07Å; L506-I515 HydrophobicContact CD2-CD1 4.33Å; L506-I515 WeakPolarHBondContact O-CD1 3.41Å; N510-I515 HydrophobicContact CB-CD1 3.65Å; N510-I515 HydrophobicContact CB-CG1 3.65Å |
| 516 | F | 82.1 | Confident | 81.1 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 6% | 0.057 | 26% | 0.255 | C | S | . | . | trans | -141.8 | 157.3 | -171.4 | 65.4 | -100.8 | 0 | 0 | 0 | 113.3 | I441 L507 V521 F551 | I441-F516 HydrophobicContact CD1-CE2 4.09Å; I441-F516 HydrophobicContact CD1-CZ 3.87Å; L507-F516 HydrophobicContact CD2-CE1 4.25Å; L507-F516 HydrophobicContact CD2-CZ 3.94Å; F516-V521 HydrophobicContact CD2-CG2 4.23Å; F516-V521 HydrophobicContact CE2-CG2 4.08Å; F516-F551 HydrophobicContact CE2-CE1 4.17Å; F516-F551 HydrophobicContact CE2-CZ 4.05Å; F516-F551 HydrophobicContact CZ-CZ 4.38Å | ||
| 517 | D | 85.9 | Confident | 81.4 | Confident | 70 Ų | 70 | 44.2 Ų | 44.2 | 37% | 0.374 | 26% | 0.255 | S | S | . | . | trans | -83.4 | 118.6 | 175.4 | 169.5 | 23.7 | 0 | 0 | 0 | 110.5 | R436 Q519 A520 | R436-D517 PolarHBondContact O-N 3.41Å; D517-Q519 VanDerWaalsContact C-N 3.31Å; D517-Q519 PolarHBondContact O-N 2.94Å; D517-Q519 WeakPolarHBondContact OD1-CB 3.35Å; D517-Q519 PolarHBondContact OD1-N 3Å; D517-A520 HydrophobicContact CB-CB 4.15Å; D517-A520 WeakPolarHBondContact O-CB 3.46Å; D517-A520 PolarHBondContact O-N 3.27Å; D517-A520 PolarHBondContact OD2-N 2.91Å | ||
| 518 | A | 85.6 | Confident | 81.9 | Confident | 23 Ų | 23 | 44.3 Ų | 44.3 | 19% | 0.19 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -22.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | A520 V521 M550 F551 | A518-A520 VanDerWaalsContact C-N 3.25Å; A518-A520 PolarHBondContact O-N 3.47Å; A518-V521 PolarHBondContact O-N 2.87Å; A518-M550 WeakPolarHBondContact CB-O 3.47Å; A518-F551 HydrophobicContact CB-CD1 4.06Å; A518-F551 HydrophobicContact CB-CE1 3.85Å |
| 519 | Q | 87.3 | Confident | 82.5 | Confident | 90 Ų | 90 | 39.4 Ų | 39.4 | 42% | 0.421 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -17 | 173.7 | -64.2 | -66 | -44.6 | 0 | 0 | 112.4 | D517 K522 | D517-Q519 VanDerWaalsContact C-N 3.31Å; D517-Q519 PolarHBondContact O-N 2.94Å; D517-Q519 WeakPolarHBondContact OD1-CB 3.35Å; D517-Q519 PolarHBondContact OD1-N 3Å; Q519-K522 PolarHBondContact O-NZ 3.07Å |
| 520 | A | 89.4 | Confident | 83.5 | Confident | 8 Ų | 8 | 34.4 Ų | 34.4 | 7% | 0.066 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -23.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D517 A518 K522 | D517-A520 HydrophobicContact CB-CB 4.15Å; D517-A520 WeakPolarHBondContact O-CB 3.46Å; D517-A520 PolarHBondContact O-N 3.27Å; D517-A520 PolarHBondContact OD2-N 2.91Å; A518-A520 VanDerWaalsContact C-N 3.25Å; A518-A520 PolarHBondContact O-N 3.47Å; A520-K522 WeakPolarHBondContact O-CG 3.48Å; A520-K522 PolarHBondContact O-N 2.64Å; A520-K522 VanDerWaalsContact O-N 3.13Å |
| 521 | V | 93 | Very high | 84.7 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | trans | -70.1 | 109.3 | 175.6 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | P438 T439 I441 F516 A518 C523 I524 F551 | P438-V521 HydrophobicContact CG-CG2 4.38Å; P438-V521 WeakPolarHBondContact O-CG2 3.46Å; T439-V521 CarbonylContact O-C 3.3Å; T439-V521 WeakPolarHBondContact O-CA 3.4Å; I441-V521 HydrophobicContact CD1-CG1 4.29Å; I441-V521 HydrophobicContact CD1-CG2 4.11Å; I441-V521 HydrophobicContact CG1-CG1 4.19Å; I441-V521 HydrophobicContact CG1-CG2 4.32Å; F516-V521 HydrophobicContact CD2-CG2 4.23Å; F516-V521 HydrophobicContact CE2-CG2 4.08Å; A518-V521 PolarHBondContact O-N 2.87Å; V521-C523 WeakPolarHBondContact CG1-O 3.47Å; V521-I524 HydrophobicContact CG1-CD1 4.29Å; V521-I524 HydrophobicContact CG1-CG1 3.82Å; V521-F551 HydrophobicContact CB-CD1 4.04Å; V521-F551 HydrophobicContact CB-CE1 3.79Å; V521-F551 HydrophobicContact CG1-CD1 4.27Å; V521-F551 HydrophobicContact CG1-CE1 4.07Å; V521-F551 HydrophobicContact CG2-CD1 4.49Å; V521-F551 HydrophobicContact CG2-CE1 3.75Å | ||
| 522 | K | 94.1 | Very high | 86.5 | Confident | 89 Ų | 89 | 27 Ų | 27 | 39% | 0.387 | 16% | 0.161 | S | C | . | . | trans | -96 | -14.9 | 179.8 | -55.2 | -47.6 | -177.6 | -172.1 | 0 | 113.2 | T439 Q519 A520 C558 Q559 | T439-K522 HydrophobicContact CG2-CB 4.34Å; T439-K522 HydrophobicContact CG2-CG 4.12Å; T439-K522 PolarHBondContact O-N 3.39Å; Q519-K522 PolarHBondContact O-NZ 3.07Å; A520-K522 WeakPolarHBondContact O-CG 3.48Å; A520-K522 PolarHBondContact O-N 2.64Å; A520-K522 VanDerWaalsContact O-N 3.13Å; K522-C558 WeakPolarHBondContact O-CA 3.46Å; K522-Q559 PolarHBondContact O-N 3.38Å | ||
| 523 | C | 95.3 | Very high | 88.3 | Confident | 9 Ų | 9 | 22.5 Ų | 22.5 | 6% | 0.061 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 136.5 | -176.5 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | T439 C440 I441 V521 Q559 L561 | T439-C523 PolarHBondContact O-N 2.93Å; C440-C523 VanDerWaalsContact CA-O 3.27Å; C440-C523 WeakPolarHBondContact CA-O 3.42Å; C440-C523 HydrophobicContact CB-CB 4.06Å; C440-C523 PolarHBondContact SG-O 2.9Å; C440-C523 VanDerWaalsContact SG-O 3.42Å; C440-C523 VanDerWaalsContact SG-SG 3.64Å; I441-C523 PolarHBondContact N-O 2.82Å; V521-C523 WeakPolarHBondContact CG1-O 3.47Å; C523-Q559 CarbonylContact C-O 3.58Å; C523-Q559 WeakPolarHBondContact CA-O 3.31Å; C523-L561 WeakPolarHBondContact SG-CD1 3.29Å |
| 524 | I | 96.9 | Very high | 89.5 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 127.6 | 167.4 | -62.1 | -179.6 | 0 | 0 | 0 | 108.3 | I441 V521 L526 L547 F551 L553 Q559 L560 L561 | I441-I524 HydrophobicContact CB-CG1 4.38Å; I441-I524 CarbonylContact O-C 3.55Å; I441-I524 VanDerWaalsContact O-CA 3.31Å; I441-I524 WeakPolarHBondContact O-CA 3.47Å; V521-I524 HydrophobicContact CG1-CD1 4.29Å; V521-I524 HydrophobicContact CG1-CG1 3.82Å; I524-L526 HydrophobicContact CG2-CD2 4.19Å; I524-L547 HydrophobicContact CD1-CD2 3.94Å; I524-F551 HydrophobicContact CD1-CB 4.28Å; I524-F551 HydrophobicContact CD1-CD1 4.16Å; I524-F551 HydrophobicContact CD1-CD2 3.37Å; I524-F551 HydrophobicContact CD1-CE1 4.38Å; I524-F551 HydrophobicContact CD1-CE2 3.64Å; I524-F551 HydrophobicContact CD1-CG 3.67Å; I524-F551 HydrophobicContact CD1-CZ 4.14Å; I524-L553 HydrophobicContact CD1-CD2 4.42Å; I524-Q559 PolarHBondContact N-O 3.33Å; I524-L560 HydrophobicContact CB-CD1 4.12Å; I524-L560 HydrophobicContact CG2-CD1 4.04Å; I524-L560 WeakPolarHBondContact O-CA 3.41Å; I524-L561 PolarHBondContact O-N 2.82Å |
| 525 | A | 97.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 127.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | Y416 I441 F442 V443 L561 | Y416-A525 HydrophobicContact CE2-CB 4.12Å; I441-A525 PolarHBondContact O-N 2.86Å; F442-A525 HydrophobicContact CD1-CB 4.4Å; F442-A525 HydrophobicContact CD2-CB 3.55Å; F442-A525 HydrophobicContact CE2-CB 3.75Å; F442-A525 HydrophobicContact CG-CB 3.91Å; F442-A525 HydrophobicContact CZ-CB 4.25Å; V443-A525 PolarHBondContact N-O 3.01Å; A525-L561 CarbonylContact C-O 3.59Å; A525-L561 WeakPolarHBondContact CA-O 3.29Å; A525-L561 HydrophobicContact CB-CB 4.24Å; A525-L561 HydrophobicContact CB-CD1 4.45Å |
| 526 | L | 97.6 | Very high | 90.8 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 86.4 | 176.6 | -54.7 | -179.1 | 0 | 0 | 0 | 108.7 | V443 I524 L529 M532 L544 L547 L560 L561 V562 S563 | V443-L526 HydrophobicContact CB-CD2 3.87Å; V443-L526 HydrophobicContact CG2-CD2 3.88Å; I524-L526 HydrophobicContact CG2-CD2 4.19Å; L526-L529 HydrophobicContact CD1-CD1 4.45Å; L526-M532 HydrophobicContact CB-CE 4.06Å; L526-L544 HydrophobicContact CD1-CD2 3.7Å; L526-L547 HydrophobicContact CD1-CD1 4.27Å; L526-L560 HydrophobicContact CD1-CD1 4.26Å; L526-L560 HydrophobicContact CG-CD1 4.29Å; L526-L561 PolarHBondContact N-O 3.06Å; L526-V562 HydrophobicContact CB-CG2 4.44Å; L526-V562 HydrophobicContact CD1-CG2 4.38Å; L526-S563 PolarHBondContact O-N 2.75Å |
| 527 | D | 96.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 132.3 | -177.1 | -163.8 | 12 | 0 | 0 | 0 | 112.3 | T413 Y416 F442 V443 P445 L529 M532 S563 | T413-D527 WeakPolarHBondContact CB-OD2 3.46Å; T413-D527 WeakPolarHBondContact CG2-OD2 3.49Å; T413-D527 PolarHBondContact OG1-OD2 2.85Å; Y416-D527 VanDerWaalsContact OH-CB 3.3Å; Y416-D527 WeakPolarHBondContact OH-CB 3.33Å; Y416-D527 VanDerWaalsContact OH-CG 3.26Å; Y416-D527 PolarHBondContact OH-OD1 2.85Å; F442-D527 HydrophobicContact CE1-CB 3.71Å; F442-D527 HydrophobicContact CZ-CB 4.02Å; V443-D527 PolarHBondContact O-N 3.23Å; P445-D527 WeakPolarHBondContact CD-O 3.44Å; D527-L529 PolarHBondContact O-N 3.28Å; D527-M532 WeakPolarHBondContact O-CE 3.48Å; D527-S563 WeakPolarHBondContact OD1-CB 3.29Å; D527-S563 PolarHBondContact OD1-OG 3.17Å |
| 528 | N | 93.8 | Very high | 91 | Very high | 14 Ų | 14 | 27.2 Ų | 27.2 | 8% | 0.075 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 50.9 | -174 | -59.1 | -57.1 | 0 | 0 | 0 | 113.2 | K412 P445 Q449 N530 D531 M532 S563 | K412-N528 WeakPolarHBondContact CE-OD1 3.37Å; P445-N528 HydrophobicContact CG-CB 3.87Å; Q449-N528 PolarHBondContact OE1-ND2 3.44Å; N528-N530 PolarHBondContact O-N 3.16Å; N528-D531 HydrophobicContact CB-CB 4.21Å; N528-D531 WeakPolarHBondContact O-CA 3.42Å; N528-D531 WeakPolarHBondContact O-CB 3.25Å; N528-D531 PolarHBondContact O-N 3.11Å; N528-M532 PolarHBondContact O-N 2.98Å; N528-S563 CarbonylContact C-O 3.52Å; N528-S563 WeakPolarHBondContact CA-O 3.38Å; N528-S563 PolarHBondContact N-O 3.29Å; N528-S563 PolarHBondContact N-OG 2.93Å |
| 529 | L | 94.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -47.3 | -38 | 179.6 | 178.7 | 64.6 | 0 | 0 | 0 | 113.8 | L526 D527 D531 M532 V533 T540 V562 S563 L571 M572 I576 | L526-L529 HydrophobicContact CD1-CD1 4.45Å; D527-L529 PolarHBondContact O-N 3.28Å; L529-D531 VanDerWaalsContact C-N 3.3Å; L529-D531 PolarHBondContact O-N 2.95Å; L529-M532 HydrophobicContact CD1-SD 4.05Å; L529-M532 VanDerWaalsContact O-CB 3.32Å; L529-M532 WeakPolarHBondContact O-CB 3.11Å; L529-M532 PolarHBondContact O-N 3.39Å; L529-M532 VanDerWaalsContact O-N 3.12Å; L529-V533 HydrophobicContact CD1-CG2 4.33Å; L529-V533 HydrophobicContact CG-CG2 4.49Å; L529-V533 WeakPolarHBondContact O-CG2 3.47Å; L529-V533 PolarHBondContact O-N 2.77Å; L529-T540 HydrophobicContact CD1-CG2 3.79Å; L529-V562 HydrophobicContact CB-CG1 4.12Å; L529-V562 HydrophobicContact CD2-CG1 3.77Å; L529-S563 PolarHBondContact N-O 3.18Å; L529-L571 HydrophobicContact CD2-CD2 3.99Å; L529-L571 HydrophobicContact CD2-CG 4.4Å; L529-L571 HydrophobicContact CG-CD2 4.19Å; L529-M572 HydrophobicContact CD2-CE 4.37Å; L529-I576 HydrophobicContact CD2-CD1 3.56Å; L529-I576 HydrophobicContact CD2-CG1 3.77Å |
| 530 | N | 90.8 | Very high | 91.5 | Very high | 15 Ų | 15 | 23.8 Ų | 23.8 | 8% | 0.08 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.4 | -28 | 177.4 | -46.4 | 101.8 | 0 | 0 | 0 | 113.5 | N528 R534 G564 R565 I566 | N528-N530 PolarHBondContact O-N 3.16Å; N530-R534 WeakPolarHBondContact O-CB 3.25Å; N530-R534 PolarHBondContact O-N 3.49Å; N530-G564 WeakPolarHBondContact OD1-CA 3.07Å; N530-R565 PolarHBondContact OD1-N 2.78Å; N530-I566 HydrophobicContact CB-CG1 4.02Å; N530-I566 WeakPolarHBondContact ND2-CG1 3.32Å; N530-I566 PolarHBondContact ND2-O 3.31Å; N530-I566 PolarHBondContact OD1-N 2.87Å; N530-I566 VanDerWaalsContact OD1-N 3.13Å; N530-I566 PolarHBondContact OD1-O 3.47Å |
| 531 | D | 89.8 | Confident | 91.6 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -71.2 | -36.8 | 171.3 | -74.6 | -39.7 | 0 | 0 | 0 | 110.2 | P445 N528 L529 R534 V535 R565 | P445-D531 HydrophobicContact CB-CB 3.69Å; P445-D531 HydrophobicContact CG-CB 3.49Å; P445-D531 VanDerWaalsContact CG-CB 3.49Å; N528-D531 HydrophobicContact CB-CB 4.21Å; N528-D531 WeakPolarHBondContact O-CA 3.42Å; N528-D531 WeakPolarHBondContact O-CB 3.25Å; N528-D531 PolarHBondContact O-N 3.11Å; L529-D531 VanDerWaalsContact C-N 3.3Å; L529-D531 PolarHBondContact O-N 2.95Å; D531-R534 PolarHBondContact O-N 2.95Å; D531-R534 IonicContact OD1-CZ 2.68Å; D531-R534 IonicContact OD1-NH1 3.57Å; D531-R534 PolarHBondContact OD1-NH1 2.79Å; D531-R534 IonicContact OD1-NH2 3.02Å; D531-R534 PolarHBondContact OD1-NH2 2.97Å; D531-V535 WeakPolarHBondContact O-CG2 3.4Å; D531-V535 PolarHBondContact O-N 2.86Å; D531-R565 IonicContact OD1-CZ 3.66Å; D531-R565 IonicContact OD1-NE 3.52Å; D531-R565 PolarHBondContact OD1-NE 3.25Å; D531-R565 IonicContact OD1-NH2 2.64Å; D531-R565 PolarHBondContact OD1-NH2 3.26Å; D531-R565 IonicContact OD2-CZ 3.52Å; D531-R565 IonicContact OD2-NE 2.69Å; D531-R565 PolarHBondContact OD2-NE 2.97Å; D531-R565 IonicContact OD2-NH2 2.69Å; D531-R565 PolarHBondContact OD2-NH2 3.38Å |
| 532 | M | 91.9 | Very high | 91.5 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.015 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.5 | -51.3 | 172.5 | -50.1 | -177.5 | -165.8 | 0 | 0 | 111 | V443 P445 V500 L526 D527 N528 L529 R534 V535 L536 T540 | V443-M532 HydrophobicContact CB-CE 4.11Å; V443-M532 HydrophobicContact CG1-CE 3.98Å; V443-M532 HydrophobicContact CG1-SD 4.03Å; V443-M532 WeakPolarHBondContact O-CE 3.48Å; P445-M532 HydrophobicContact CB-CG 4.22Å; P445-M532 HydrophobicContact CG-CG 4.06Å; V500-M532 HydrophobicContact CG2-CB 4.02Å; V500-M532 HydrophobicContact CG2-CG 4.08Å; V500-M532 HydrophobicContact CG2-SD 3.54Å; V500-M532 VanDerWaalsContact CG2-SD 3.54Å; L526-M532 HydrophobicContact CB-CE 4.06Å; D527-M532 WeakPolarHBondContact O-CE 3.48Å; N528-M532 PolarHBondContact O-N 2.98Å; L529-M532 HydrophobicContact CD1-SD 4.05Å; L529-M532 VanDerWaalsContact O-CB 3.32Å; L529-M532 WeakPolarHBondContact O-CB 3.11Å; L529-M532 PolarHBondContact O-N 3.39Å; L529-M532 VanDerWaalsContact O-N 3.12Å; M532-R534 PolarHBondContact O-N 3.27Å; M532-V535 PolarHBondContact O-N 3.19Å; M532-V535 VanDerWaalsContact O-N 3.16Å; M532-L536 CarbonylContact O-C 3.57Å; M532-L536 PolarHBondContact O-N 3.48Å; M532-T540 HydrophobicContact CB-CG2 4.08Å; M532-T540 PolarHBondContact O-OG1 2.71Å |
| 533 | V | 89.6 | Confident | 91.5 | Very high | 23 Ų | 23 | 25.6 Ų | 25.6 | 14% | 0.139 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.2 | -20.5 | 179.5 | 176.4 | 0 | 0 | 0 | 0 | 112.6 | L529 P537 T540 L571 | L529-V533 HydrophobicContact CD1-CG2 4.33Å; L529-V533 HydrophobicContact CG-CG2 4.49Å; L529-V533 WeakPolarHBondContact O-CG2 3.47Å; L529-V533 PolarHBondContact O-N 2.77Å; V533-P537 WeakPolarHBondContact O-CA 3.15Å; V533-P537 VanDerWaalsContact O-CB 3.29Å; V533-P537 WeakPolarHBondContact O-CB 3.44Å; V533-P537 VanDerWaalsContact O-CD 3.28Å; V533-P537 WeakPolarHBondContact O-CD 3.27Å; V533-T540 HydrophobicContact CG2-CG2 3.58Å; V533-L571 HydrophobicContact CG2-CD1 4.3Å; V533-L571 HydrophobicContact CG2-CD2 3.86Å |
| 534 | R | 83.7 | Confident | 91.4 | Very high | 144 Ų | 144 | 25.4 Ų | 25.4 | 54% | 0.543 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -77.4 | -38.9 | 171.9 | -173.3 | -179.6 | 64.2 | -105.1 | -7.6 | 112.7 | N530 D531 M532 P955 | N530-R534 WeakPolarHBondContact O-CB 3.25Å; N530-R534 PolarHBondContact O-N 3.49Å; D531-R534 PolarHBondContact O-N 2.95Å; D531-R534 IonicContact OD1-CZ 2.68Å; D531-R534 IonicContact OD1-NH1 3.57Å; D531-R534 PolarHBondContact OD1-NH1 2.79Å; D531-R534 IonicContact OD1-NH2 3.02Å; D531-R534 PolarHBondContact OD1-NH2 2.97Å; M532-R534 PolarHBondContact O-N 3.27Å; R534-P955 WeakPolarHBondContact O-CG 3.37Å |
| 535 | V | 84.4 | Confident | 91.2 | Very high | 46 Ų | 46 | 30.5 Ų | 30.5 | 28% | 0.279 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -89.5 | -40.4 | -174.1 | -177.2 | 0 | 0 | 0 | 0 | 111.8 | D531 M532 | D531-V535 WeakPolarHBondContact O-CG2 3.4Å; D531-V535 PolarHBondContact O-N 2.86Å; M532-V535 PolarHBondContact O-N 3.19Å; M532-V535 VanDerWaalsContact O-N 3.16Å |
| 536 | L | 87.5 | Confident | 90.8 | Very high | 29 Ų | 29 | 33 Ų | 33 | 15% | 0.152 | 16% | 0.157 | C | C | . | . | trans | -133.5 | 57.6 | -175.9 | -59.5 | 175.6 | 0 | 0 | 0 | 111.5 | V500 D501 M532 N538 D539 T540 D957 | V500-L536 HydrophobicContact CB-CD1 4.31Å; D501-L536 HydrophobicContact CB-CD1 3.91Å; M532-L536 CarbonylContact O-C 3.57Å; M532-L536 PolarHBondContact O-N 3.48Å; L536-N538 PolarHBondContact O-N 3.16Å; L536-D539 HydrophobicContact CB-CB 4.42Å; L536-D539 PolarHBondContact O-N 3.17Å; L536-T540 VanDerWaalsContact O-CB 3.32Å; L536-T540 WeakPolarHBondContact O-CB 3.19Å; L536-T540 PolarHBondContact O-N 2.67Å; L536-T540 PolarHBondContact O-OG1 3.42Å; L536-D957 HydrophobicContact CD2-CB 4.04Å | ||
| 537 | P | 86.9 | Confident | 90.4 | Very high | 30 Ų | 30 | 33 Ų | 33 | 20% | 0.195 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -49.7 | -51.6 | -178.6 | 13.9 | -28.1 | 0 | 0 | 0 | 114 | V533 T540 M541 P955 D957 | V533-P537 WeakPolarHBondContact O-CA 3.15Å; V533-P537 VanDerWaalsContact O-CB 3.29Å; V533-P537 WeakPolarHBondContact O-CB 3.44Å; V533-P537 VanDerWaalsContact O-CD 3.28Å; V533-P537 WeakPolarHBondContact O-CD 3.27Å; P537-T540 PolarHBondContact O-N 3.46Å; P537-M541 WeakPolarHBondContact O-CG 3.46Å; P537-M541 PolarHBondContact O-N 2.87Å; P537-P955 HydrophobicContact CG-CB 4.15Å; P537-P955 HydrophobicContact CG-CG 4.14Å; P537-D957 WeakPolarHBondContact CD-OD1 3.38Å; P537-D957 WeakPolarHBondContact CD-OD2 3.43Å; P537-D957 VanDerWaalsContact CG-OD1 3.28Å; P537-D957 WeakPolarHBondContact CG-OD1 3.36Å; P537-D957 WeakPolarHBondContact CG-OD2 3.49Å |
| 538 | N | 85.4 | Confident | 90.1 | Very high | 39 Ų | 39 | 36.2 Ų | 36.2 | 21% | 0.209 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.8 | -43.6 | -173.6 | -67.3 | -87.7 | 0 | 0 | 0 | 112.1 | L536 T540 M541 K542 D957 F1011 | L536-N538 PolarHBondContact O-N 3.16Å; N538-T540 VanDerWaalsContact C-N 3.34Å; N538-M541 PolarHBondContact O-N 2.86Å; N538-K542 WeakPolarHBondContact O-CG 3.48Å; N538-K542 PolarHBondContact O-N 3.35Å; N538-D957 VanDerWaalsContact CB-OD2 3.26Å; N538-D957 WeakPolarHBondContact CB-OD2 3.47Å; N538-D957 PolarHBondContact N-OD2 2.75Å; N538-D957 PolarHBondContact ND2-OD2 3.03Å; N538-F1011 WeakPolarHBondContact ND2-CE1 3.33Å |
| 539 | D | 89.7 | Confident | 89.9 | Confident | 40 Ų | 40 | 42 Ų | 42 | 21% | 0.214 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -72.3 | -30.2 | 179.3 | -74.4 | -12.9 | 0 | 0 | 0 | 111.3 | V500 L504 L536 K542 L543 | V500-D539 VanDerWaalsContact CG1-C 3.47Å; V500-D539 HydrophobicContact CG1-CB 4.16Å; V500-D539 WeakPolarHBondContact CG1-O 3.3Å; L504-D539 HydrophobicContact CD1-CB 3.84Å; L504-D539 VanDerWaalsContact CD1-O 3.29Å; L504-D539 WeakPolarHBondContact CD1-O 3.42Å; L536-D539 HydrophobicContact CB-CB 4.42Å; L536-D539 PolarHBondContact O-N 3.17Å; D539-K542 PolarHBondContact O-N 3.35Å; D539-K542 WeakPolarHBondContact OD1-CE 3.19Å; D539-K542 IonicContact OD1-NZ 3.8Å; D539-K542 PolarHBondContact OD1-NZ 3.06Å; D539-L543 WeakPolarHBondContact O-CB 3.37Å; D539-L543 PolarHBondContact O-N 3.37Å |
| 540 | T | 92.6 | Very high | 89.4 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.5 | -42.3 | 170.6 | -50.8 | 0 | 0 | 0 | 0 | 111 | L529 M532 V533 L536 P537 N538 L543 L544 | L529-T540 HydrophobicContact CD1-CG2 3.79Å; M532-T540 HydrophobicContact CB-CG2 4.08Å; M532-T540 PolarHBondContact O-OG1 2.71Å; V533-T540 HydrophobicContact CG2-CG2 3.58Å; L536-T540 VanDerWaalsContact O-CB 3.32Å; L536-T540 WeakPolarHBondContact O-CB 3.19Å; L536-T540 PolarHBondContact O-N 2.67Å; L536-T540 PolarHBondContact O-OG1 3.42Å; P537-T540 PolarHBondContact O-N 3.46Å; N538-T540 VanDerWaalsContact C-N 3.34Å; T540-L543 PolarHBondContact O-N 3.5Å; T540-L544 WeakPolarHBondContact O-CG 3.37Å; T540-L544 PolarHBondContact O-N 3.31Å |
| 541 | M | 91.6 | Very high | 89.3 | Confident | 46 Ų | 46 | 43.1 Ų | 43.1 | 23% | 0.227 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.7 | -42.6 | 176.1 | -65.4 | -41 | -57.6 | 0 | 0 | 112.6 | P537 N538 L543 L544 Q545 L571 H575 | P537-M541 WeakPolarHBondContact O-CG 3.46Å; P537-M541 PolarHBondContact O-N 2.87Å; N538-M541 PolarHBondContact O-N 2.86Å; M541-L543 VanDerWaalsContact C-N 3.34Å; M541-L543 PolarHBondContact O-N 2.64Å; M541-L544 HydrophobicContact CE-CD1 4.36Å; M541-L544 PolarHBondContact O-N 2.57Å; M541-L544 HydrophobicContact SD-CD1 4.39Å; M541-Q545 WeakPolarHBondContact O-CG 3.37Å; M541-Q545 PolarHBondContact O-N 3.13Å; M541-L571 HydrophobicContact CE-CD1 4.14Å; M541-L571 HydrophobicContact SD-CD1 3.73Å; M541-H575 HydrophobicContact CE-CB 4.13Å; M541-H575 WeakPolarHBondContact CE-CD2 3.42Å; M541-H575 VanDerWaalsContact CE-CG 3.48Å; M541-H575 WeakPolarHBondContact CE-NE2 3.39Å |
| 542 | K | 91.7 | Very high | 89.2 | Confident | 90 Ų | 90 | 47.3 Ų | 47.3 | 39% | 0.391 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.1 | -44.1 | 173.8 | -69.4 | 168.2 | -157.1 | 163 | 0 | 111.7 | L504 N538 D539 Q545 R546 | L504-K542 HydrophobicContact CD1-CB 3.97Å; L504-K542 HydrophobicContact CD1-CD 4.48Å; N538-K542 WeakPolarHBondContact O-CG 3.48Å; N538-K542 PolarHBondContact O-N 3.35Å; D539-K542 PolarHBondContact O-N 3.35Å; D539-K542 WeakPolarHBondContact OD1-CE 3.19Å; D539-K542 IonicContact OD1-NZ 3.8Å; D539-K542 PolarHBondContact OD1-NZ 3.06Å; K542-Q545 PolarHBondContact O-N 2.86Å; K542-R546 WeakPolarHBondContact O-CG 3.37Å; K542-R546 PolarHBondContact O-N 3.27Å |
| 543 | L | 93.1 | Very high | 89 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.8 | -49.3 | 177.3 | 177.5 | 61.1 | 0 | 0 | 0 | 110.9 | V500 L503 L504 L507 D539 T540 M541 Q545 R546 L547 | V500-L543 HydrophobicContact CB-CD2 4.38Å; V500-L543 HydrophobicContact CG1-CB 4.26Å; V500-L543 HydrophobicContact CG1-CD2 4.08Å; V500-L543 HydrophobicContact CG2-CD2 4.13Å; L503-L543 HydrophobicContact CD2-CD1 3.72Å; L503-L543 HydrophobicContact CD2-CD2 4.05Å; L503-L543 HydrophobicContact CG-CD1 4.13Å; L504-L543 HydrophobicContact CD2-CB 4.2Å; L504-L543 HydrophobicContact CD2-CD1 4.3Å; L504-L543 HydrophobicContact CG-CB 4.26Å; L507-L543 HydrophobicContact CD1-CD1 4.13Å; D539-L543 WeakPolarHBondContact O-CB 3.37Å; D539-L543 PolarHBondContact O-N 3.37Å; T540-L543 PolarHBondContact O-N 3.5Å; M541-L543 VanDerWaalsContact C-N 3.34Å; M541-L543 PolarHBondContact O-N 2.64Å; L543-Q545 VanDerWaalsContact C-N 3.28Å; L543-Q545 PolarHBondContact O-N 3.08Å; L543-R546 PolarHBondContact O-N 3.24Å; L543-R546 VanDerWaalsContact O-N 3.08Å; L543-L547 HydrophobicContact CD1-CD2 4.22Å; L543-L547 WeakPolarHBondContact O-CG 3.42Å; L543-L547 PolarHBondContact O-N 2.82Å |
| 544 | L | 93.6 | Very high | 88.6 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.6 | -35.2 | 178.8 | -67.3 | 178.8 | 0 | 0 | 0 | 113.1 | L526 T540 M541 L547 P548 L571 H575 I576 | L526-L544 HydrophobicContact CD1-CD2 3.7Å; T540-L544 WeakPolarHBondContact O-CG 3.37Å; T540-L544 PolarHBondContact O-N 3.31Å; M541-L544 HydrophobicContact CE-CD1 4.36Å; M541-L544 PolarHBondContact O-N 2.57Å; M541-L544 HydrophobicContact SD-CD1 4.39Å; L544-L547 HydrophobicContact CD2-CD1 4.09Å; L544-P548 VanDerWaalsContact O-CD 3.25Å; L544-P548 WeakPolarHBondContact O-CD 3.27Å; L544-L571 HydrophobicContact CD1-CD1 3.65Å; L544-H575 HydrophobicContact CD1-CB 4.29Å; L544-I576 HydrophobicContact CD1-CD1 3.8Å; L544-I576 HydrophobicContact CD2-CD1 3.52Å; L544-I576 HydrophobicContact CG-CD1 4.31Å |
| 545 | Q | 91.8 | Very high | 88 | Confident | 110 Ų | 110 | 45.9 Ų | 45.9 | 51% | 0.514 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.7 | -39.2 | 173.4 | -72.9 | 168.4 | -23.6 | 0 | 0 | 112.2 | M541 K542 L543 P548 | M541-Q545 WeakPolarHBondContact O-CG 3.37Å; M541-Q545 PolarHBondContact O-N 3.13Å; K542-Q545 PolarHBondContact O-N 2.86Å; L543-Q545 VanDerWaalsContact C-N 3.28Å; L543-Q545 PolarHBondContact O-N 3.08Å; Q545-P548 WeakPolarHBondContact O-CD 3.48Å; Q545-P548 WeakPolarHBondContact O-CG 3.35Å |
| 546 | R | 89.6 | Confident | 87.5 | Confident | 52 Ų | 52 | 50.2 Ų | 50.2 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -79.1 | -19.1 | -179.9 | -64.6 | -160.9 | 67.8 | -156.6 | -12 | 114.9 | L507 N508 K542 L543 E549 M550 | L507-R546 PolarHBondContact O-NH1 3.47Å; N508-R546 PolarHBondContact OD1-NH1 3.23Å; K542-R546 WeakPolarHBondContact O-CG 3.37Å; K542-R546 PolarHBondContact O-N 3.27Å; L543-R546 PolarHBondContact O-N 3.24Å; L543-R546 VanDerWaalsContact O-N 3.08Å; R546-E549 WeakPolarHBondContact CG-OE2 3.18Å; R546-E549 IonicContact NE-OE2 2.7Å; R546-E549 PolarHBondContact NE-OE2 3.15Å; R546-E549 WeakPolarHBondContact O-CB 3.39Å; R546-E549 PolarHBondContact O-N 3.01Å; R546-M550 PolarHBondContact O-N 2.92Å |
| 547 | L | 90.6 | Very high | 87.5 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.9 | -52.6 | 177.3 | -72.4 | -174.5 | 0 | 0 | 0 | 113.8 | I524 L526 L543 L544 E549 M550 F551 L553 L579 | I524-L547 HydrophobicContact CD1-CD2 3.94Å; L526-L547 HydrophobicContact CD1-CD1 4.27Å; L543-L547 HydrophobicContact CD1-CD2 4.22Å; L543-L547 WeakPolarHBondContact O-CG 3.42Å; L543-L547 PolarHBondContact O-N 2.82Å; L544-L547 HydrophobicContact CD2-CD1 4.09Å; L547-E549 VanDerWaalsContact C-N 3.31Å; L547-E549 PolarHBondContact O-N 3.05Å; L547-M550 PolarHBondContact O-N 2.97Å; L547-F551 HydrophobicContact CD2-CD2 4.01Å; L547-F551 HydrophobicContact CD2-CE2 4.02Å; L547-F551 WeakPolarHBondContact O-CD2 3.46Å; L547-F551 PolarHBondContact O-N 2.68Å; L547-L553 HydrophobicContact CB-CD1 4.19Å; L547-L579 HydrophobicContact CB-CD1 4.49Å |
| 548 | P | 89.8 | Confident | 87.7 | Confident | 68 Ų | 68 | 52.1 Ų | 52.1 | 44% | 0.442 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.8 | -22.5 | 177.5 | 26.7 | -36 | 0 | 0 | 0 | 114.5 | L544 Q545 M550 L579 | L544-P548 VanDerWaalsContact O-CD 3.25Å; L544-P548 WeakPolarHBondContact O-CD 3.27Å; Q545-P548 WeakPolarHBondContact O-CD 3.48Å; Q545-P548 WeakPolarHBondContact O-CG 3.35Å; P548-M550 PolarHBondContact O-N 3.03Å; P548-L579 HydrophobicContact CB-CD2 3.87Å; P548-L579 HydrophobicContact CG-CD2 3.88Å |
| 549 | E | 88.6 | Confident | 88.1 | Confident | 135 Ų | 135 | 50.8 Ų | 50.8 | 63% | 0.631 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -65.4 | -30 | 172.6 | -55.8 | 175.8 | 161.4 | 0 | 0 | 111.8 | R546 L547 | R546-E549 WeakPolarHBondContact CG-OE2 3.18Å; R546-E549 IonicContact NE-OE2 2.7Å; R546-E549 PolarHBondContact NE-OE2 3.15Å; R546-E549 WeakPolarHBondContact O-CB 3.39Å; R546-E549 PolarHBondContact O-N 3.01Å; L547-E549 VanDerWaalsContact C-N 3.31Å; L547-E549 PolarHBondContact O-N 3.05Å |
| 550 | M | 84.9 | Confident | 88.4 | Confident | 30 Ų | 30 | 48.9 Ų | 48.9 | 15% | 0.148 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -107 | -31.8 | -169.9 | -66.7 | -165.4 | 62.3 | 0 | 0 | 113.9 | L507 A518 R546 L547 P548 | L507-M550 HydrophobicContact CD1-SD 4.15Å; L507-M550 HydrophobicContact CD2-CE 3.69Å; L507-M550 HydrophobicContact CD2-SD 3.79Å; L507-M550 HydrophobicContact CG-SD 4.45Å; A518-M550 WeakPolarHBondContact CB-O 3.47Å; R546-M550 PolarHBondContact O-N 2.92Å; L547-M550 PolarHBondContact O-N 2.97Å; P548-M550 PolarHBondContact O-N 3.03Å |
| 551 | F | 88.8 | Confident | 88.7 | Confident | 10 Ų | 10 | 48.8 Ų | 48.8 | 4% | 0.044 | 24% | 0.239 | C | C | . | . | trans | -126.8 | 136.6 | -168 | -55.2 | -71.6 | 0 | 0 | 0 | 112.7 | I441 F516 A518 V521 I524 L547 L553 | I441-F551 HydrophobicContact CD1-CE1 4.42Å; I441-F551 HydrophobicContact CD1-CZ 3.83Å; F516-F551 HydrophobicContact CE2-CE1 4.17Å; F516-F551 HydrophobicContact CE2-CZ 4.05Å; F516-F551 HydrophobicContact CZ-CZ 4.38Å; A518-F551 HydrophobicContact CB-CD1 4.06Å; A518-F551 HydrophobicContact CB-CE1 3.85Å; V521-F551 HydrophobicContact CB-CD1 4.04Å; V521-F551 HydrophobicContact CB-CE1 3.79Å; V521-F551 HydrophobicContact CG1-CD1 4.27Å; V521-F551 HydrophobicContact CG1-CE1 4.07Å; V521-F551 HydrophobicContact CG2-CD1 4.49Å; V521-F551 HydrophobicContact CG2-CE1 3.75Å; I524-F551 HydrophobicContact CD1-CB 4.28Å; I524-F551 HydrophobicContact CD1-CD1 4.16Å; I524-F551 HydrophobicContact CD1-CD2 3.37Å; I524-F551 HydrophobicContact CD1-CE1 4.38Å; I524-F551 HydrophobicContact CD1-CE2 3.64Å; I524-F551 HydrophobicContact CD1-CG 3.67Å; I524-F551 HydrophobicContact CD1-CZ 4.14Å; L547-F551 HydrophobicContact CD2-CD2 4.01Å; L547-F551 HydrophobicContact CD2-CE2 4.02Å; L547-F551 WeakPolarHBondContact O-CD2 3.46Å; L547-F551 PolarHBondContact O-N 2.68Å; F551-L553 HydrophobicContact CB-CD2 3.87Å; F551-L553 HydrophobicContact CB-CG 4.13Å; F551-L553 PolarHBondContact O-N 3.02Å | ||
| 552 | Q | 88.3 | Confident | 88.9 | Confident | 89 Ų | 89 | 46.6 Ų | 46.6 | 42% | 0.416 | 23% | 0.229 | S | C | . | . | trans | -79.4 | 85.8 | 173.1 | -70.1 | 176.5 | 6.3 | 0 | 0 | 109.5 | T554 K557 C558 | Q552-T554 PolarHBondContact O-N 2.81Å; Q552-K557 HydrophobicContact CB-CB 3.97Å; Q552-K557 HydrophobicContact CB-CG 4.25Å; Q552-K557 WeakPolarHBondContact O-CB 3.42Å; Q552-K557 VanDerWaalsContact OE1-CE 3.29Å; Q552-K557 VanDerWaalsContact OE1-NZ 3.1Å; Q552-C558 WeakPolarHBondContact O-CB 3.17Å; Q552-C558 PolarHBondContact O-N 2.83Å; Q552-C558 VanDerWaalsContact O-N 3.1Å | ||
| 553 | L | 87.8 | Confident | 89.2 | Confident | 16 Ų | 16 | 42.3 Ų | 42.3 | 8% | 0.084 | 21% | 0.21 | C | C | . | . | trans | -79.1 | 63.8 | -174.7 | -59.9 | 175.5 | 0 | 0 | 0 | 112.4 | I524 L547 F551 C558 L560 L579 | I524-L553 HydrophobicContact CD1-CD2 4.42Å; L547-L553 HydrophobicContact CB-CD1 4.19Å; F551-L553 HydrophobicContact CB-CD2 3.87Å; F551-L553 HydrophobicContact CB-CG 4.13Å; F551-L553 PolarHBondContact O-N 3.02Å; L553-C558 HydrophobicContact CD2-CB 4.05Å; L553-L560 HydrophobicContact CD1-CD2 4.38Å; L553-L579 HydrophobicContact CD1-CB 3.87Å; L553-L579 HydrophobicContact CD1-CD1 4.1Å; L553-L579 HydrophobicContact CD1-CD2 4.26Å; L553-L579 HydrophobicContact CD1-CG 4.3Å | ||
| 554 | T | 79.9 | Confident | 89.2 | Confident | 64 Ų | 64 | 42.3 Ų | 42.3 | 39% | 0.393 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -128.9 | 161.4 | 177.7 | 65.8 | 0 | 0 | 0 | 0 | 111.1 | Q552 N556 K557 C558 | Q552-T554 PolarHBondContact O-N 2.81Å; T554-N556 PolarHBondContact O-N 2.84Å; T554-K557 PolarHBondContact O-N 3.16Å; T554-K557 VanDerWaalsContact O-N 3.08Å; T554-K557 WeakPolarHBondContact OG1-CB 3.34Å; T554-K557 WeakPolarHBondContact OG1-CG 3.36Å; T554-C558 PolarHBondContact O-N 3.24Å |
| 555 | Q | 70.6 | Confident | 89.1 | Confident | 60 Ų | 60 | 45.6 Ų | 45.6 | 28% | 0.28 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 140.3 | 172.7 | -161.3 | -170.8 | -42 | 0 | 0 | 110.3 | K400 K557 | K400-Q555 VanDerWaalsContact CE-OE1 3.31Å; K400-Q555 HydrophobicContact CG-CG 4.16Å; Q555-K557 PolarHBondContact O-N 3.2Å; Q555-K557 VanDerWaalsContact O-N 3.17Å |
| 556 | N | 75.3 | Confident | 89.1 | Confident | 137 Ų | 137 | 42.1 Ų | 42.1 | 73% | 0.733 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 6.6 | -177.2 | -47.1 | -27.5 | 0 | 0 | 0 | 116 | T554 | T554-N556 PolarHBondContact O-N 2.84Š|
| 557 | K | 86.6 | Confident | 89.2 | Confident | 95 Ų | 95 | 39.7 Ų | 39.7 | 41% | 0.413 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -78.1 | 173.9 | -72.1 | -68.1 | -166.4 | 156.1 | 0 | 111.6 | Q552 T554 Q555 | Q552-K557 HydrophobicContact CB-CB 3.97Å; Q552-K557 HydrophobicContact CB-CG 4.25Å; Q552-K557 WeakPolarHBondContact O-CB 3.42Å; Q552-K557 VanDerWaalsContact OE1-CE 3.29Å; Q552-K557 VanDerWaalsContact OE1-NZ 3.1Å; T554-K557 PolarHBondContact O-N 3.16Å; T554-K557 VanDerWaalsContact O-N 3.08Å; T554-K557 WeakPolarHBondContact OG1-CB 3.34Å; T554-K557 WeakPolarHBondContact OG1-CG 3.36Å; Q555-K557 PolarHBondContact O-N 3.2Å; Q555-K557 VanDerWaalsContact O-N 3.17Å |
| 558 | C | 92 | Very high | 89.1 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.02 | 20% | 0.199 | C | C | . | . | trans | -134.7 | 113.6 | 173.1 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | K522 Q552 L553 T554 | K522-C558 WeakPolarHBondContact O-CA 3.46Å; Q552-C558 WeakPolarHBondContact O-CB 3.17Å; Q552-C558 PolarHBondContact O-N 2.83Å; Q552-C558 VanDerWaalsContact O-N 3.1Å; L553-C558 HydrophobicContact CD2-CB 4.05Å; T554-C558 PolarHBondContact O-N 3.24Å | ||
| 559 | Q | 93.6 | Very high | 89 | Confident | 11 Ų | 11 | 38.3 Ų | 38.3 | 5% | 0.051 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 136.7 | 176.6 | -171.3 | 175.3 | 14.4 | 0 | 0 | 110 | V396 G399 K400 K522 C523 I524 L561 | V396-Q559 PolarHBondContact O-NE2 3.06Å; G399-Q559 VanDerWaalsContact C-CD 3.48Å; G399-Q559 VanDerWaalsContact C-NE2 3.26Å; K400-Q559 PolarHBondContact O-NE2 2.94Å; K522-Q559 PolarHBondContact O-N 3.38Å; C523-Q559 CarbonylContact C-O 3.58Å; C523-Q559 WeakPolarHBondContact CA-O 3.31Å; I524-Q559 PolarHBondContact N-O 3.33Å; Q559-L561 HydrophobicContact CG-CD2 3.92Å; Q559-L561 HydrophobicContact CG-CG 4.3Å |
| 560 | L | 96.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127.5 | 173.1 | -177.7 | 55.8 | 0 | 0 | 0 | 109.8 | S401 V402 I524 L526 L553 V562 L579 M580 | S401-L560 WeakPolarHBondContact CA-O 3.18Å; S401-L560 WeakPolarHBondContact CB-O 3.28Å; S401-L560 PolarHBondContact OG-N 3.12Å; S401-L560 VanDerWaalsContact OG-N 3.16Å; S401-L560 PolarHBondContact OG-O 3.32Å; V402-L560 PolarHBondContact N-O 3.39Å; I524-L560 HydrophobicContact CB-CD1 4.12Å; I524-L560 HydrophobicContact CG2-CD1 4.04Å; I524-L560 WeakPolarHBondContact O-CA 3.41Å; L526-L560 HydrophobicContact CD1-CD1 4.26Å; L526-L560 HydrophobicContact CG-CD1 4.29Å; L553-L560 HydrophobicContact CD1-CD2 4.38Å; L560-V562 HydrophobicContact CD1-CG2 4.15Å; L560-V562 HydrophobicContact CD2-CG2 4.42Å; L560-V562 HydrophobicContact CG-CG2 3.94Å; L560-L579 HydrophobicContact CD2-CB 3.75Å; L560-L579 HydrophobicContact CD2-CD1 4.29Å; L560-M580 HydrophobicContact CB-CE 4.47Å; L560-M580 HydrophobicContact CB-CG 4.22Å; L560-M580 HydrophobicContact CD2-CG 3.71Å; L560-M580 HydrophobicContact CD2-SD 4.19Å; L560-M580 HydrophobicContact CG-CE 4.3Å; L560-M580 HydrophobicContact CG-CG 4.14Å; L560-M580 HydrophobicContact CG-SD 4.36Å; L560-M580 WeakPolarHBondContact O-CE 3.36Å |
| 561 | L | 97.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 122 | -178.2 | -54.4 | 171.3 | 0 | 0 | 0 | 108.2 | V396 V402 Y416 V420 C523 I524 A525 L526 Q559 | V396-L561 HydrophobicContact CG1-CD2 4.03Å; V396-L561 HydrophobicContact CG2-CD2 4.14Å; V402-L561 HydrophobicContact CG1-CD2 3.76Å; Y416-L561 HydrophobicContact CD2-CB 4.23Å; Y416-L561 HydrophobicContact CD2-CD1 3.76Å; Y416-L561 HydrophobicContact CE2-CB 4.46Å; Y416-L561 HydrophobicContact CG-CB 4.27Å; Y416-L561 HydrophobicContact CG-CD1 4.01Å; V420-L561 HydrophobicContact CG2-CD1 3.31Å; C523-L561 WeakPolarHBondContact SG-CD1 3.29Å; I524-L561 PolarHBondContact O-N 2.82Å; A525-L561 CarbonylContact C-O 3.59Å; A525-L561 WeakPolarHBondContact CA-O 3.29Å; A525-L561 HydrophobicContact CB-CB 4.24Å; A525-L561 HydrophobicContact CB-CD1 4.45Å; L526-L561 PolarHBondContact N-O 3.06Å; Q559-L561 HydrophobicContact CG-CD2 3.92Å; Q559-L561 HydrophobicContact CG-CG 4.3Å |
| 562 | V | 97.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 135.2 | -175.7 | -173.4 | 0 | 0 | 0 | 0 | 110.1 | V402 L403 V404 L526 L529 L560 I576 M580 | V402-V562 PolarHBondContact O-N 3.17Å; L403-V562 CarbonylContact C-O 3.56Å; L403-V562 WeakPolarHBondContact CA-O 3.29Å; L403-V562 HydrophobicContact CD1-CB 3.74Å; L403-V562 HydrophobicContact CD1-CG1 3.6Å; V404-V562 PolarHBondContact N-O 3Å; L526-V562 HydrophobicContact CB-CG2 4.44Å; L526-V562 HydrophobicContact CD1-CG2 4.38Å; L529-V562 HydrophobicContact CB-CG1 4.12Å; L529-V562 HydrophobicContact CD2-CG1 3.77Å; L560-V562 HydrophobicContact CD1-CG2 4.15Å; L560-V562 HydrophobicContact CD2-CG2 4.42Å; L560-V562 HydrophobicContact CG-CG2 3.94Å; V562-I576 HydrophobicContact CG1-CG2 4.41Å; V562-I576 HydrophobicContact CG2-CG2 4.02Å; V562-M580 HydrophobicContact CB-CE 4.46Å; V562-M580 HydrophobicContact CG2-CE 3.97Å; V562-M580 HydrophobicContact CG2-SD 4.06Å |
| 563 | S | 96.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 137.5 | 177.7 | 148.4 | 0 | 0 | 0 | 0 | 109.7 | V404 K412 L526 D527 N528 L529 | V404-S563 CarbonylContact O-C 3.56Å; V404-S563 WeakPolarHBondContact O-CA 3.36Å; K412-S563 WeakPolarHBondContact CB-OG 3.21Å; K412-S563 WeakPolarHBondContact CD-OG 3.17Å; K412-S563 WeakPolarHBondContact CE-OG 3.46Å; L526-S563 PolarHBondContact O-N 2.75Å; D527-S563 WeakPolarHBondContact OD1-CB 3.29Å; D527-S563 PolarHBondContact OD1-OG 3.17Å; N528-S563 CarbonylContact C-O 3.52Å; N528-S563 WeakPolarHBondContact CA-O 3.38Å; N528-S563 PolarHBondContact N-O 3.29Å; N528-S563 PolarHBondContact N-OG 2.93Å; L529-S563 PolarHBondContact N-O 3.18Å |
| 564 | G | 94.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 156.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V404 G406 K412 N530 | V404-G564 PolarHBondContact O-N 3.36Å; G406-G564 PolarHBondContact N-O 2.97Å; G406-G564 VanDerWaalsContact O-O 3.12Å; K412-G564 WeakPolarHBondContact CD-O 3.41Å; K412-G564 WeakPolarHBondContact CE-O 3.27Å; K412-G564 PolarHBondContact NZ-O 3.36Å; N530-G564 WeakPolarHBondContact OD1-CA 3.07Å |
| 565 | R | 90.8 | Very high | 89.7 | Confident | 75 Ų | 75 | 34.9 Ų | 34.9 | 28% | 0.283 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -88.5 | -37.6 | 167.9 | -60.5 | -168.2 | -165.9 | -157.7 | 8.5 | 112.4 | G406 N530 D531 | G406-R565 WeakPolarHBondContact O-CA 3.42Å; N530-R565 PolarHBondContact OD1-N 2.78Å; D531-R565 IonicContact OD1-CZ 3.66Å; D531-R565 IonicContact OD1-NE 3.52Å; D531-R565 PolarHBondContact OD1-NE 3.25Å; D531-R565 IonicContact OD1-NH2 2.64Å; D531-R565 PolarHBondContact OD1-NH2 3.26Å; D531-R565 IonicContact OD2-CZ 3.52Å; D531-R565 IonicContact OD2-NE 2.69Å; D531-R565 PolarHBondContact OD2-NE 2.97Å; D531-R565 IonicContact OD2-NH2 2.69Å; D531-R565 PolarHBondContact OD2-NH2 3.38Å |
| 566 | I | 91.6 | Very high | 90.8 | Very high | 37 Ų | 37 | 32 Ų | 32 | 19% | 0.19 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -135.2 | 148.6 | -172.1 | 64.8 | 174.5 | 0 | 0 | 0 | 112.1 | N530 H568 E592 K752 | N530-I566 HydrophobicContact CB-CG1 4.02Å; N530-I566 WeakPolarHBondContact ND2-CG1 3.32Å; N530-I566 PolarHBondContact ND2-O 3.31Å; N530-I566 PolarHBondContact OD1-N 2.87Å; N530-I566 VanDerWaalsContact OD1-N 3.13Å; N530-I566 PolarHBondContact OD1-O 3.47Å; I566-H568 PolarHBondContact O-N 2.91Å; I566-H568 VanDerWaalsContact O-N 3.11Å; I566-E592 WeakPolarHBondContact CA-OE2 3.26Å; I566-E592 WeakPolarHBondContact CB-OE2 3.1Å; I566-K752 HydrophobicContact CD1-CB 4.05Å; I566-K752 HydrophobicContact CD1-CG 4.49Å |
| 567 | W | 92.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 0% | 0.004 | 13% | 0.126 | C | C | . | . | trans | -79.2 | 80.7 | 173.2 | -173.3 | -97.3 | 0 | 0 | 0 | 111.6 | L403 V405 T569 M572 V573 L577 V585 F587 E592 Y596 H753 | L403-W567 HydrophobicContact CD2-CH2 4.1Å; L403-W567 HydrophobicContact CD2-CZ3 3.66Å; L403-W567 HydrophobicContact CG-CZ3 4.49Å; V405-W567 HydrophobicContact CG2-CE3 4.15Å; W567-T569 PolarHBondContact NE1-OG1 2.87Å; W567-T569 PolarHBondContact O-N 3.3Å; W567-M572 HydrophobicContact CD2-CB 4.38Å; W567-M572 HydrophobicContact CD2-CG 4.17Å; W567-M572 HydrophobicContact CE3-CB 4.3Å; W567-M572 HydrophobicContact CE3-CG 3.94Å; W567-M572 HydrophobicContact CH2-CB 3.46Å; W567-M572 VanDerWaalsContact CH2-CB 3.46Å; W567-M572 HydrophobicContact CH2-CG 4Å; W567-M572 HydrophobicContact CZ2-CB 3.5Å; W567-M572 HydrophobicContact CZ2-CG 4.18Å; W567-M572 HydrophobicContact CZ3-CB 3.89Å; W567-M572 HydrophobicContact CZ3-CG 3.89Å; W567-V573 HydrophobicContact CZ2-CG2 4.19Å; W567-L577 HydrophobicContact CH2-CD1 4.05Å; W567-L577 HydrophobicContact CZ2-CD1 4.48Å; W567-V585 HydrophobicContact CZ3-CG1 4.04Å; W567-F587 HydrophobicContact CB-CE1 4.13Å; W567-F587 AromaticContact CD2-CE1 3.88Å; W567-F587 HydrophobicContact CD2-CE1 3.88Å; W567-F587 AromaticContact CD2-CZ 3.93Å; W567-F587 HydrophobicContact CD2-CZ 3.93Å; W567-F587 AromaticContact CE3-CE1 3.43Å; W567-F587 HydrophobicContact CE3-CE1 3.43Å; W567-F587 VanDerWaalsContact CE3-CE1 3.43Å; W567-F587 AromaticContact CE3-CZ 3.4Å; W567-F587 HydrophobicContact CE3-CZ 3.4Å; W567-F587 VanDerWaalsContact CE3-CZ 3.4Å; W567-F587 HydrophobicContact CG-CE1 4.14Å; W567-F587 HydrophobicContact CH2-CZ 4.47Å; W567-F587 HydrophobicContact CZ3-CE1 4.17Å; W567-F587 AromaticContact CZ3-CZ 3.69Å; W567-F587 HydrophobicContact CZ3-CZ 3.69Å; W567-E592 PolarHBondContact N-OE2 2.88Å; W567-Y596 HydrophobicContact CD2-CD2 4.24Å; W567-Y596 AromaticContact CE2-CD2 3.67Å; W567-Y596 AromaticContact CH2-CD2 3.87Å; W567-Y596 HydrophobicContact CH2-CD2 3.87Å; W567-Y596 HydrophobicContact CH2-CE2 4.23Å; W567-Y596 AromaticContact CZ2-CD2 3.49Å; W567-Y596 HydrophobicContact CZ2-CD2 3.49Å; W567-Y596 VanDerWaalsContact CZ2-CD2 3.49Å; W567-Y596 HydrophobicContact CZ2-CE2 4.12Å; W567-Y596 HydrophobicContact CZ2-CG 4.48Å; W567-Y596 HydrophobicContact CZ3-CD2 4.38Å; W567-H753 PolarHBondContact O-CE1 3.29Å; W567-H753 VanDerWaalsContact O-CE1 3.27Å; W567-H753 PolarHBondContact O-ND1 2.98Å; W567-H753 VanDerWaalsContact O-ND1 3.12Å | ||
| 568 | H | 88.8 | Confident | 91.7 | Very high | 11 Ų | 11 | 25.8 Ų | 25.8 | 5% | 0.051 | 13% | 0.133 | C | C | . | . | trans | -78.3 | 94.3 | 173.2 | -175.8 | -76.3 | 0 | 0 | 0 | 110.5 | I566 D570 L571 M572 R1012 | I566-H568 PolarHBondContact O-N 2.91Å; I566-H568 VanDerWaalsContact O-N 3.11Å; H568-D570 IonicContact CE1-OD2 3.15Å; H568-D570 PolarHBondContact CE1-OD2 3.49Å; H568-D570 IonicContact NE2-OD2 2.59Å; H568-D570 PolarHBondContact O-N 3.13Å; H568-L571 HydrophobicContact CB-CB 4.19Å; H568-L571 HydrophobicContact CB-CD2 4.41Å; H568-L571 WeakPolarHBondContact ND1-CB 3.11Å; H568-L571 PolarHBondContact ND1-N 3.42Å; H568-L571 WeakPolarHBondContact O-CB 3.3Å; H568-L571 PolarHBondContact O-N 3.27Å; H568-L571 VanDerWaalsContact O-N 3.1Å; H568-M572 WeakPolarHBondContact O-CG 3.13Å; H568-M572 PolarHBondContact O-N 2.95Å; H568-R1012 PolarHBondContact CD2-NH1 2.91Å; H568-R1012 PolarHBondContact CE1-NH2 2.84Å; H568-R1012 VanDerWaalsContact NE2-CZ 3.33Å; H568-R1012 PolarHBondContact NE2-NH1 2.97Å; H568-R1012 PolarHBondContact NE2-NH2 3.39Å | ||
| 569 | T | 88.1 | Confident | 91.6 | Very high | 31 Ų | 31 | 26.7 Ų | 26.7 | 19% | 0.19 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -45 | -59.4 | -169.5 | -59.6 | 0 | 0 | 0 | 0 | 114.6 | V332 W567 L571 M572 V573 | V332-T569 HydrophobicContact CG2-CG2 4.03Å; W567-T569 PolarHBondContact NE1-OG1 2.87Å; W567-T569 PolarHBondContact O-N 3.3Å; T569-L571 VanDerWaalsContact C-N 3.27Å; T569-L571 PolarHBondContact O-N 2.67Å; T569-M572 PolarHBondContact O-N 2.69Å; T569-V573 HydrophobicContact CG2-CG2 4.11Å; T569-V573 WeakPolarHBondContact O-CB 3.37Å; T569-V573 WeakPolarHBondContact O-CG2 3.37Å; T569-V573 PolarHBondContact O-N 2.81Å |
| 570 | D | 85.8 | Confident | 91.5 | Very high | 38 Ų | 38 | 26.3 Ų | 26.3 | 20% | 0.203 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.5 | -39.4 | -175.8 | -29.5 | -35 | 0 | 0 | 0 | 112.2 | H568 Q574 K754 | H568-D570 IonicContact CE1-OD2 3.15Å; H568-D570 PolarHBondContact CE1-OD2 3.49Å; H568-D570 IonicContact NE2-OD2 2.59Å; H568-D570 PolarHBondContact O-N 3.13Å; D570-Q574 WeakPolarHBondContact O-CA 3.47Å; D570-Q574 WeakPolarHBondContact O-CB 3.43Å; D570-Q574 VanDerWaalsContact O-CG 3.31Å; D570-Q574 WeakPolarHBondContact O-CG 3.46Å; D570-Q574 PolarHBondContact O-N 3.37Å; D570-K754 WeakPolarHBondContact OD2-CE 3.42Å; D570-K754 IonicContact OD2-NZ 2.69Å; D570-K754 PolarHBondContact OD2-NZ 3.38Å |
| 571 | L | 89.6 | Confident | 90.7 | Very high | 6 Ų | 6 | 28.8 Ų | 28.8 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.6 | -49.5 | 179.6 | 176 | 70.7 | 0 | 0 | 0 | 110 | L529 V533 M541 L544 H568 T569 H575 I576 | L529-L571 HydrophobicContact CD2-CD2 3.99Å; L529-L571 HydrophobicContact CD2-CG 4.4Å; L529-L571 HydrophobicContact CG-CD2 4.19Å; V533-L571 HydrophobicContact CG2-CD1 4.3Å; V533-L571 HydrophobicContact CG2-CD2 3.86Å; M541-L571 HydrophobicContact CE-CD1 4.14Å; M541-L571 HydrophobicContact SD-CD1 3.73Å; L544-L571 HydrophobicContact CD1-CD1 3.65Å; H568-L571 HydrophobicContact CB-CB 4.19Å; H568-L571 HydrophobicContact CB-CD2 4.41Å; H568-L571 WeakPolarHBondContact ND1-CB 3.11Å; H568-L571 PolarHBondContact ND1-N 3.42Å; H568-L571 WeakPolarHBondContact O-CB 3.3Å; H568-L571 PolarHBondContact O-N 3.27Å; H568-L571 VanDerWaalsContact O-N 3.1Å; T569-L571 VanDerWaalsContact C-N 3.27Å; T569-L571 PolarHBondContact O-N 2.67Å; L571-H575 WeakPolarHBondContact O-CB 3.42Å; L571-H575 PolarHBondContact O-N 3.17Å; L571-H575 VanDerWaalsContact O-N 3.16Å; L571-I576 HydrophobicContact CG-CG1 4.45Å; L571-I576 PolarHBondContact O-N 3.19Å |
| 572 | M | 91 | Very high | 90.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -69.2 | -45.8 | -176.7 | -60.6 | -57.6 | 177.1 | 0 | 0 | 111.2 | L403 L529 W567 H568 T569 I576 L577 | L403-M572 HydrophobicContact CD1-CE 4.4Å; L403-M572 HydrophobicContact CD1-SD 4.03Å; L403-M572 HydrophobicContact CD2-SD 4.07Å; L529-M572 HydrophobicContact CD2-CE 4.37Å; W567-M572 HydrophobicContact CD2-CB 4.38Å; W567-M572 HydrophobicContact CD2-CG 4.17Å; W567-M572 HydrophobicContact CE3-CB 4.3Å; W567-M572 HydrophobicContact CE3-CG 3.94Å; W567-M572 HydrophobicContact CH2-CB 3.46Å; W567-M572 VanDerWaalsContact CH2-CB 3.46Å; W567-M572 HydrophobicContact CH2-CG 4Å; W567-M572 HydrophobicContact CZ2-CB 3.5Å; W567-M572 HydrophobicContact CZ2-CG 4.18Å; W567-M572 HydrophobicContact CZ3-CB 3.89Å; W567-M572 HydrophobicContact CZ3-CG 3.89Å; H568-M572 WeakPolarHBondContact O-CG 3.13Å; H568-M572 PolarHBondContact O-N 2.95Å; T569-M572 PolarHBondContact O-N 2.69Å; M572-I576 PolarHBondContact O-N 3.22Å; M572-I576 HydrophobicContact SD-CB 4.35Å; M572-I576 HydrophobicContact SD-CG1 4.16Å; M572-I576 HydrophobicContact SD-CG2 4.46Å; M572-L577 WeakPolarHBondContact O-CB 3.4Å; M572-L577 VanDerWaalsContact O-CG 3.31Å; M572-L577 WeakPolarHBondContact O-CG 3.4Å; M572-L577 PolarHBondContact O-N 3.4Å |
| 573 | V | 88.2 | Confident | 89.8 | Confident | 46 Ų | 46 | 30.7 Ų | 30.7 | 28% | 0.279 | 16% | 0.162 | S | C | . | . | I | π-helix | trans | -77.6 | -40 | -174.6 | 178.7 | 0 | 0 | 0 | 0 | 112.8 | F335 W567 T569 P578 | F335-V573 HydrophobicContact CZ-CG1 4.24Å; W567-V573 HydrophobicContact CZ2-CG2 4.19Å; T569-V573 HydrophobicContact CG2-CG2 4.11Å; T569-V573 WeakPolarHBondContact O-CB 3.37Å; T569-V573 WeakPolarHBondContact O-CG2 3.37Å; T569-V573 PolarHBondContact O-N 2.81Å; V573-P578 WeakPolarHBondContact O-CD 3.44Å; V573-P578 WeakPolarHBondContact O-CG 3.07Å |
| 574 | Q | 87.6 | Confident | 89.7 | Confident | 123 Ų | 123 | 30.7 Ų | 30.7 | 58% | 0.575 | 16% | 0.162 | S | C | * | . | I | π-helix | trans | -91.6 | -24.5 | -174.3 | -53.3 | 174.6 | -0.8 | 0 | 0 | 113.3 | D570 | D570-Q574 WeakPolarHBondContact O-CA 3.47Å; D570-Q574 WeakPolarHBondContact O-CB 3.43Å; D570-Q574 VanDerWaalsContact O-CG 3.31Å; D570-Q574 WeakPolarHBondContact O-CG 3.46Å; D570-Q574 PolarHBondContact O-N 3.37Å |
| 575 | H | 90.1 | Very high | 89.7 | Confident | 59 Ų | 59 | 30.7 Ų | 30.7 | 27% | 0.273 | 16% | 0.162 | S | C | . | . | I | π-helix | trans | -127.9 | -17.9 | -170.3 | -57.6 | -72.2 | 0 | 0 | 0 | 116 | M541 L544 L571 L579 | M541-H575 HydrophobicContact CE-CB 4.13Å; M541-H575 WeakPolarHBondContact CE-CD2 3.42Å; M541-H575 VanDerWaalsContact CE-CG 3.48Å; M541-H575 WeakPolarHBondContact CE-NE2 3.39Å; L544-H575 HydrophobicContact CD1-CB 4.29Å; L571-H575 WeakPolarHBondContact O-CB 3.42Å; L571-H575 PolarHBondContact O-N 3.17Å; L571-H575 VanDerWaalsContact O-N 3.16Å; H575-L579 VanDerWaalsContact O-CD1 3.31Å; H575-L579 WeakPolarHBondContact O-CD1 3.28Å |
| 576 | I | 93.3 | Very high | 90 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -108.1 | -58.2 | -178.6 | -61 | -63.1 | 0 | 0 | 0 | 111.9 | L403 L529 L544 V562 L571 M572 P578 L579 M580 | L403-I576 HydrophobicContact CD2-CG2 4.43Å; L529-I576 HydrophobicContact CD2-CD1 3.56Å; L529-I576 HydrophobicContact CD2-CG1 3.77Å; L544-I576 HydrophobicContact CD1-CD1 3.8Å; L544-I576 HydrophobicContact CD2-CD1 3.52Å; L544-I576 HydrophobicContact CG-CD1 4.31Å; V562-I576 HydrophobicContact CG1-CG2 4.41Å; V562-I576 HydrophobicContact CG2-CG2 4.02Å; L571-I576 HydrophobicContact CG-CG1 4.45Å; L571-I576 PolarHBondContact O-N 3.19Å; M572-I576 PolarHBondContact O-N 3.22Å; M572-I576 HydrophobicContact SD-CB 4.35Å; M572-I576 HydrophobicContact SD-CG1 4.16Å; M572-I576 HydrophobicContact SD-CG2 4.46Å; I576-P578 VanDerWaalsContact C-CD 3.43Å; I576-L579 WeakPolarHBondContact O-CA 3.49Å; I576-L579 WeakPolarHBondContact O-CB 3.2Å; I576-L579 PolarHBondContact O-N 3.44Å; I576-M580 HydrophobicContact CG2-SD 3.43Å; I576-M580 WeakPolarHBondContact CG2-SD 3.44Å; I576-M580 WeakPolarHBondContact O-CG 3.29Å |
| 577 | L | 91 | Very high | 90.1 | Very high | 15 Ų | 15 | 25.4 Ų | 25.4 | 8% | 0.079 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -59.1 | -33.9 | -178.4 | -67.4 | 178.3 | 0 | 0 | 0 | 114.7 | F335 L403 W567 M572 L579 M580 V583 V585 | F335-L577 HydrophobicContact CD2-CD1 4.4Å; F335-L577 HydrophobicContact CE1-CB 4.46Å; F335-L577 HydrophobicContact CE1-CD1 4.45Å; F335-L577 HydrophobicContact CE2-CD1 3.39Å; F335-L577 HydrophobicContact CZ-CB 3.97Å; F335-L577 HydrophobicContact CZ-CD1 3.42Å; F335-L577 VanDerWaalsContact CZ-CD1 3.42Å; F335-L577 HydrophobicContact CZ-CG 4.37Å; L403-L577 HydrophobicContact CD2-CD2 3.98Å; W567-L577 HydrophobicContact CH2-CD1 4.05Å; W567-L577 HydrophobicContact CZ2-CD1 4.48Å; M572-L577 WeakPolarHBondContact O-CB 3.4Å; M572-L577 VanDerWaalsContact O-CG 3.31Å; M572-L577 WeakPolarHBondContact O-CG 3.4Å; M572-L577 PolarHBondContact O-N 3.4Å; L577-L579 PolarHBondContact O-N 2.73Å; L577-M580 PolarHBondContact O-N 2.68Å; L577-V583 HydrophobicContact CD2-CG1 3.98Å; L577-V583 HydrophobicContact CD2-CG2 4.39Å; L577-V585 HydrophobicContact CD2-CG2 4.03Å |
| 578 | P | 89.9 | Confident | 90.1 | Very high | 86 Ų | 86 | 27.8 Ų | 27.8 | 56% | 0.558 | 15% | 0.152 | S | C | * | . | G | 310 helix | trans | -61.4 | -21.6 | 172.4 | -25.4 | 36.9 | 0 | 0 | 0 | 114 | V573 I576 M580 | V573-P578 WeakPolarHBondContact O-CD 3.44Å; V573-P578 WeakPolarHBondContact O-CG 3.07Å; I576-P578 VanDerWaalsContact C-CD 3.43Å; P578-M580 VanDerWaalsContact C-N 3.34Å |
| 579 | L | 90.6 | Very high | 90.3 | Very high | 22 Ų | 22 | 27.5 Ų | 27.5 | 12% | 0.115 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -90.4 | 5.8 | 176.6 | -49.6 | -177.2 | 0 | 0 | 0 | 112.9 | L547 P548 L553 L560 H575 I576 L577 | L547-L579 HydrophobicContact CB-CD1 4.49Å; P548-L579 HydrophobicContact CB-CD2 3.87Å; P548-L579 HydrophobicContact CG-CD2 3.88Å; L553-L579 HydrophobicContact CD1-CB 3.87Å; L553-L579 HydrophobicContact CD1-CD1 4.1Å; L553-L579 HydrophobicContact CD1-CD2 4.26Å; L553-L579 HydrophobicContact CD1-CG 4.3Å; L560-L579 HydrophobicContact CD2-CB 3.75Å; L560-L579 HydrophobicContact CD2-CD1 4.29Å; H575-L579 VanDerWaalsContact O-CD1 3.31Å; H575-L579 WeakPolarHBondContact O-CD1 3.28Å; I576-L579 WeakPolarHBondContact O-CA 3.49Å; I576-L579 WeakPolarHBondContact O-CB 3.2Å; I576-L579 PolarHBondContact O-N 3.44Å; L577-L579 PolarHBondContact O-N 2.73Å |
| 580 | M | 90.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | trans | -140.7 | 67.2 | -169.3 | -52.1 | 174.3 | 84.1 | 0 | 0 | 111.8 | V402 L403 L560 V562 I576 L577 P578 D582 V583 | V402-M580 VanDerWaalsContact O-CE 3.27Å; V402-M580 WeakPolarHBondContact O-CE 3.44Å; L403-M580 HydrophobicContact CB-CE 4.24Å; L560-M580 HydrophobicContact CB-CE 4.47Å; L560-M580 HydrophobicContact CB-CG 4.22Å; L560-M580 HydrophobicContact CD2-CG 3.71Å; L560-M580 HydrophobicContact CD2-SD 4.19Å; L560-M580 HydrophobicContact CG-CE 4.3Å; L560-M580 HydrophobicContact CG-CG 4.14Å; L560-M580 HydrophobicContact CG-SD 4.36Å; L560-M580 WeakPolarHBondContact O-CE 3.36Å; V562-M580 HydrophobicContact CB-CE 4.46Å; V562-M580 HydrophobicContact CG2-CE 3.97Å; V562-M580 HydrophobicContact CG2-SD 4.06Å; I576-M580 HydrophobicContact CG2-SD 3.43Å; I576-M580 WeakPolarHBondContact CG2-SD 3.44Å; I576-M580 WeakPolarHBondContact O-CG 3.29Å; L577-M580 PolarHBondContact O-N 2.68Å; P578-M580 VanDerWaalsContact C-N 3.34Å; M580-D582 VanDerWaalsContact C-N 3.3Å; M580-D582 PolarHBondContact O-N 3.41Å; M580-V583 HydrophobicContact CB-CB 3.81Å; M580-V583 HydrophobicContact CB-CG2 4.21Å; M580-V583 HydrophobicContact CE-CG2 3.83Å; M580-V583 WeakPolarHBondContact O-CB 3.35Å; M580-V583 WeakPolarHBondContact O-CG1 3.28Å; M580-V583 PolarHBondContact O-N 2.86Å; M580-V583 HydrophobicContact SD-CG2 4.25Å | ||
| 581 | P | 80.6 | Confident | 91 | Very high | 52 Ų | 52 | 24.5 Ų | 24.5 | 34% | 0.338 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -39.3 | -174.4 | 21.1 | -32.9 | 0 | 0 | 0 | 113.9 | R352 | R352-P581 WeakPolarHBondContact CD-O 3.46Å; R352-P581 PolarHBondContact NE-O 3.39Å |
| 582 | D | 83.5 | Confident | 91.3 | Very high | 35 Ų | 35 | 24.6 Ų | 24.6 | 19% | 0.187 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 35.9 | -177.3 | -60.3 | -73.2 | 0 | 0 | 0 | 113.1 | H353 H395 M580 | H353-D582 IonicContact CD2-OD1 2.86Å; H353-D582 IonicContact CE1-OD1 3.37Å; H353-D582 IonicContact NE2-OD1 2.97Å; H353-D582 PolarHBondContact NE2-OD1 3.1Å; H395-D582 PolarHBondContact CE1-O 3.11Å; H395-D582 PolarHBondContact NE2-O 2.93Å; M580-D582 VanDerWaalsContact C-N 3.3Å; M580-D582 PolarHBondContact O-N 3.41Å |
| 583 | V | 91.8 | Very high | 91.3 | Very high | 5 Ų | 5 | 24.6 Ų | 24.6 | 3% | 0.03 | 14% | 0.135 | C | C | . | . | trans | -67.1 | 140.1 | -176.9 | 67.3 | 0 | 0 | 0 | 0 | 113.6 | W350 S401 L403 L577 M580 V585 | W350-V583 HydrophobicContact CE3-CG1 4.48Å; W350-V583 HydrophobicContact CZ3-CG1 3.93Å; S401-V583 WeakPolarHBondContact O-CA 3.26Å; L403-V583 HydrophobicContact CB-CG2 4.02Å; L577-V583 HydrophobicContact CD2-CG1 3.98Å; L577-V583 HydrophobicContact CD2-CG2 4.39Å; M580-V583 HydrophobicContact CB-CB 3.81Å; M580-V583 HydrophobicContact CB-CG2 4.21Å; M580-V583 HydrophobicContact CE-CG2 3.83Å; M580-V583 WeakPolarHBondContact O-CB 3.35Å; M580-V583 WeakPolarHBondContact O-CG1 3.28Å; M580-V583 PolarHBondContact O-N 2.86Å; M580-V583 HydrophobicContact SD-CG2 4.25Å; V583-V585 HydrophobicContact CG1-CG2 3.98Å; V583-V585 HydrophobicContact CG2-CG2 3.88Å | ||
| 584 | L | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 115.6 | 153.4 | 169.4 | 66.8 | 0 | 0 | 0 | 108.2 | W350 V355 F391 H395 S401 V402 L403 L586 | W350-L584 CarbonylContact O-C 3.59Å; W350-L584 WeakPolarHBondContact O-CA 3.45Å; V355-L584 HydrophobicContact CG1-CD2 4.41Å; V355-L584 HydrophobicContact CG2-CD1 4.3Å; V355-L584 HydrophobicContact CG2-CD2 4.39Å; F391-L584 HydrophobicContact CB-CD2 4.06Å; F391-L584 WeakPolarHBondContact O-CD2 3.12Å; H395-L584 HydrophobicContact CB-CB 4.47Å; H395-L584 HydrophobicContact CB-CD2 3.65Å; H395-L584 VanDerWaalsContact CD2-CB 3.43Å; H395-L584 WeakPolarHBondContact CD2-CB 3.39Å; H395-L584 VanDerWaalsContact NE2-CB 3.34Å; H395-L584 WeakPolarHBondContact NE2-CB 3.34Å; H395-L584 PolarHBondContact NE2-N 3.24Å; S401-L584 PolarHBondContact O-N 3.42Å; V402-L584 WeakPolarHBondContact CA-O 3.35Å; V402-L584 HydrophobicContact CG2-CB 4.22Å; V402-L584 HydrophobicContact CG2-CD2 4.27Å; V402-L584 HydrophobicContact CG2-CG 4.29Å; V402-L584 VanDerWaalsContact CG2-O 3.3Å; V402-L584 WeakPolarHBondContact CG2-O 3.4Å; L403-L584 PolarHBondContact N-O 3.03Å; L584-L586 HydrophobicContact CD1-CD2 3.76Å; L584-L586 HydrophobicContact CD1-CG 4.31Å; L584-L586 HydrophobicContact CD2-CD1 4.11Å; L584-L586 HydrophobicContact CD2-CD2 4.13Å; L584-L586 HydrophobicContact CD2-CG 4.17Å; L584-L586 HydrophobicContact CG-CD1 4.4Å; L584-L586 HydrophobicContact CG-CD2 3.92Å; L584-L586 HydrophobicContact CG-CG 3.93Å |
| 585 | V | 95 | Very high | 91.7 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 132.6 | 172.1 | -170.3 | 0 | 0 | 0 | 0 | 108.4 | G349 W350 L403 W567 L577 V583 F587 | G349-V585 CarbonylContact C-O 3.52Å; G349-V585 VanDerWaalsContact CA-O 3.27Å; G349-V585 WeakPolarHBondContact CA-O 3.41Å; W350-V585 HydrophobicContact CE3-CG2 4.24Å; W350-V585 PolarHBondContact N-O 3.21Å; W350-V585 PolarHBondContact O-N 2.8Å; L403-V585 HydrophobicContact CB-CG1 4.48Å; L403-V585 HydrophobicContact CB-CG2 4.44Å; L403-V585 HydrophobicContact CD2-CG1 4.25Å; L403-V585 HydrophobicContact CD2-CG2 4.45Å; L403-V585 HydrophobicContact CG-CG1 4.27Å; L403-V585 CarbonylContact O-C 3.38Å; L403-V585 WeakPolarHBondContact O-CA 3.44Å; W567-V585 HydrophobicContact CZ3-CG1 4.04Å; L577-V585 HydrophobicContact CD2-CG2 4.03Å; V583-V585 HydrophobicContact CG1-CG2 3.98Å; V583-V585 HydrophobicContact CG2-CG2 3.88Å; V585-F587 HydrophobicContact CG1-CD2 4.24Å; V585-F587 HydrophobicContact CG1-CE2 3.47Å; V585-F587 VanDerWaalsContact CG1-CE2 3.47Å; V585-F587 HydrophobicContact CG1-CZ 3.82Å |
| 586 | L | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 132.4 | 179.7 | -63 | 177.1 | 0 | 0 | 0 | 111.1 | V347 L348 V388 F391 A392 V402 L403 V404 V405 L584 | V347-L586 HydrophobicContact CG1-CB 4.4Å; V347-L586 HydrophobicContact CG1-CD2 3.98Å; L348-L586 WeakPolarHBondContact O-CA 3.2Å; V388-L586 HydrophobicContact CB-CD1 4.16Å; V388-L586 HydrophobicContact CG1-CB 4.22Å; V388-L586 WeakPolarHBondContact O-CD1 3.29Å; F391-L586 HydrophobicContact CB-CD1 4.08Å; F391-L586 HydrophobicContact CB-CD2 3.8Å; F391-L586 HydrophobicContact CD2-CD2 4.34Å; F391-L586 HydrophobicContact CG-CD2 4.19Å; A392-L586 HydrophobicContact CB-CD1 3.88Å; V402-L586 HydrophobicContact CG2-CD1 4.48Å; L403-L586 PolarHBondContact O-N 3.36Å; V404-L586 HydrophobicContact CG1-CB 4.38Å; V404-L586 HydrophobicContact CG2-CD1 4.34Å; V405-L586 PolarHBondContact N-O 3.24Å; L584-L586 HydrophobicContact CD1-CD2 3.76Å; L584-L586 HydrophobicContact CD1-CG 4.31Å; L584-L586 HydrophobicContact CD2-CD1 4.11Å; L584-L586 HydrophobicContact CD2-CD2 4.13Å; L584-L586 HydrophobicContact CD2-CG 4.17Å; L584-L586 HydrophobicContact CG-CD1 4.4Å; L584-L586 HydrophobicContact CG-CD2 3.92Å; L584-L586 HydrophobicContact CG-CG 3.93Å |
| 587 | F | 95 | Very high | 91.3 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 0% | 0.004 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 118 | 171.8 | -58 | -96.3 | 0 | 0 | 0 | 110.1 | V347 L348 V405 W567 V585 D589 E592 A593 Y596 | V347-F587 VanDerWaalsContact CA-O 3.29Å; V347-F587 WeakPolarHBondContact CA-O 3.27Å; L348-F587 HydrophobicContact CB-CB 4.32Å; L348-F587 HydrophobicContact CB-CD2 4.48Å; L348-F587 HydrophobicContact CD2-CD2 4.11Å; L348-F587 PolarHBondContact N-O 3.49Å; L348-F587 PolarHBondContact O-N 3.11Å; V405-F587 HydrophobicContact CB-CD1 4.01Å; V405-F587 HydrophobicContact CB-CE1 4.21Å; V405-F587 HydrophobicContact CG1-CD1 4.17Å; V405-F587 HydrophobicContact CG1-CE1 4.34Å; V405-F587 WeakPolarHBondContact O-CA 3.41Å; W567-F587 HydrophobicContact CB-CE1 4.13Å; W567-F587 AromaticContact CD2-CE1 3.88Å; W567-F587 HydrophobicContact CD2-CE1 3.88Å; W567-F587 AromaticContact CD2-CZ 3.93Å; W567-F587 HydrophobicContact CD2-CZ 3.93Å; W567-F587 AromaticContact CE3-CE1 3.43Å; W567-F587 HydrophobicContact CE3-CE1 3.43Å; W567-F587 VanDerWaalsContact CE3-CE1 3.43Å; W567-F587 AromaticContact CE3-CZ 3.4Å; W567-F587 HydrophobicContact CE3-CZ 3.4Å; W567-F587 VanDerWaalsContact CE3-CZ 3.4Å; W567-F587 HydrophobicContact CG-CE1 4.14Å; W567-F587 HydrophobicContact CH2-CZ 4.47Å; W567-F587 HydrophobicContact CZ3-CE1 4.17Å; W567-F587 AromaticContact CZ3-CZ 3.69Å; W567-F587 HydrophobicContact CZ3-CZ 3.69Å; V585-F587 HydrophobicContact CG1-CD2 4.24Å; V585-F587 HydrophobicContact CG1-CE2 3.47Å; V585-F587 VanDerWaalsContact CG1-CE2 3.47Å; V585-F587 HydrophobicContact CG1-CZ 3.82Å; F587-D589 VanDerWaalsContact C-N 3.35Å; F587-E592 HydrophobicContact CD1-CB 4.32Å; F587-A593 HydrophobicContact CB-CB 3.72Å; F587-A593 HydrophobicContact CD1-CB 4.08Å; F587-A593 HydrophobicContact CD2-CB 4.3Å; F587-A593 HydrophobicContact CG-CB 3.79Å; F587-Y596 HydrophobicContact CD2-CD1 4.44Å; F587-Y596 HydrophobicContact CE1-CG 4.21Å; F587-Y596 AromaticContact CE2-CD1 3.53Å; F587-Y596 HydrophobicContact CE2-CD1 3.53Å; F587-Y596 HydrophobicContact CE2-CD2 4.32Å; F587-Y596 AromaticContact CE2-CE1 3.94Å; F587-Y596 HydrophobicContact CE2-CE1 3.94Å; F587-Y596 AromaticContact CE2-CG 3.74Å; F587-Y596 HydrophobicContact CE2-CG 3.74Å; F587-Y596 VanDerWaalsContact CZ-CB 3.41Å; F587-Y596 AromaticContact CZ-CD1 3.65Å; F587-Y596 HydrophobicContact CZ-CD1 3.65Å; F587-Y596 AromaticContact CZ-CD2 3.83Å; F587-Y596 HydrophobicContact CZ-CD2 3.83Å; F587-Y596 HydrophobicContact CZ-CE1 4.37Å; F587-Y596 AromaticContact CZ-CG 3.33Å; F587-Y596 HydrophobicContact CZ-CG 3.33Å |
| 588 | D | 91.9 | Very high | 91.1 | Very high | 50 Ų | 50 | 17.5 Ų | 17.5 | 27% | 0.267 | 11% | 0.108 | S | C | . | . | S | Bend | trans | -85.3 | -15 | 167.9 | -160 | 79.5 | 0 | 0 | 0 | 111.7 | V347 V388 V405 I410 | V347-D588 HydrophobicContact CG2-CB 4.47Å; V388-D588 HydrophobicContact CG1-CB 3.82Å; V405-D588 PolarHBondContact O-N 3.25Å; V405-D588 VanDerWaalsContact O-N 3.08Å; I410-D588 HydrophobicContact CD1-CB 3.48Å; I410-D588 VanDerWaalsContact CD1-CB 3.48Å; I410-D588 WeakPolarHBondContact CG2-OD2 3.28Å |
| 589 | D | 93.4 | Very high | 91.1 | Very high | 6 Ų | 6 | 14 Ų | 14 | 3% | 0.032 | 9% | 0.085 | C | C | . | . | trans | -111.7 | 114.8 | -178.8 | -164.9 | -56.7 | 0 | 0 | 0 | 111 | N407 F587 L591 E592 A593 K710 | N407-D589 PolarHBondContact ND2-OD2 3.09Å; N407-D589 PolarHBondContact OD1-OD2 2.73Å; F587-D589 VanDerWaalsContact C-N 3.35Å; D589-L591 VanDerWaalsContact C-N 3.31Å; D589-L591 PolarHBondContact O-N 3.12Å; D589-L591 PolarHBondContact OD1-N 2.94Å; D589-E592 HydrophobicContact CB-CB 4Å; D589-E592 HydrophobicContact CB-CG 3.76Å; D589-E592 PolarHBondContact O-N 3.33Å; D589-E592 PolarHBondContact OD1-N 3.24Å; D589-A593 WeakPolarHBondContact O-CB 3.06Å; D589-A593 PolarHBondContact O-N 3.46Å; D589-K710 WeakPolarHBondContact OD2-CE 3.46Å; D589-K710 IonicContact OD2-NZ 2.74Å; D589-K710 PolarHBondContact OD2-NZ 3.45Å | ||
| 590 | A | 93.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 17.2 Ų | 17.2 | 3% | 0.033 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -72.8 | -21.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S594 F713 S714 Y717 | A590-S594 WeakPolarHBondContact O-CB 3.38Å; A590-S594 PolarHBondContact O-N 2.88Å; A590-S594 VanDerWaalsContact O-N 3.11Å; A590-S594 PolarHBondContact O-OG 2.86Å; A590-F713 HydrophobicContact CB-CB 3.99Å; A590-F713 WeakPolarHBondContact O-CB 3.47Å; A590-S714 VanDerWaalsContact CB-N 3.34Å; A590-Y717 HydrophobicContact CB-CE1 3.64Å; A590-Y717 WeakPolarHBondContact CB-OH 3.06Å |
| 591 | L | 95 | Very high | 91.3 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -76.7 | -41.6 | 174.4 | 173.9 | 60.1 | 0 | 0 | 0 | 110.3 | D589 A593 S594 V595 L601 W706 K710 F713 F749 | D589-L591 VanDerWaalsContact C-N 3.31Å; D589-L591 PolarHBondContact O-N 3.12Å; D589-L591 PolarHBondContact OD1-N 2.94Å; L591-A593 VanDerWaalsContact C-N 3.32Å; L591-A593 PolarHBondContact O-N 3.43Å; L591-S594 WeakPolarHBondContact O-CB 3.48Å; L591-S594 PolarHBondContact O-N 3.44Å; L591-S594 VanDerWaalsContact O-N 3.08Å; L591-V595 PolarHBondContact O-N 2.95Å; L591-L601 HydrophobicContact CD1-CD1 4.25Å; L591-L601 HydrophobicContact CD1-CD2 4.46Å; L591-W706 HydrophobicContact CD2-CH2 4.21Å; L591-W706 HydrophobicContact CD2-CZ2 4.09Å; L591-K710 HydrophobicContact CB-CB 4.06Å; L591-K710 HydrophobicContact CB-CD 4.13Å; L591-K710 HydrophobicContact CB-CG 3.91Å; L591-K710 HydrophobicContact CD2-CD 3.94Å; L591-K710 HydrophobicContact CD2-CG 3.77Å; L591-K710 HydrophobicContact CG-CG 4.49Å; L591-F713 HydrophobicContact CB-CD2 4.06Å; L591-F713 HydrophobicContact CB-CG 4.23Å; L591-F713 HydrophobicContact CD1-CD1 3.91Å; L591-F713 HydrophobicContact CD1-CD2 4.02Å; L591-F713 HydrophobicContact CD1-CE1 3.71Å; L591-F713 HydrophobicContact CD1-CE2 3.83Å; L591-F713 HydrophobicContact CD1-CG 4.07Å; L591-F713 HydrophobicContact CD1-CZ 3.68Å; L591-F749 HydrophobicContact CD1-CE1 4.04Å; L591-F749 HydrophobicContact CD1-CE2 4.34Å; L591-F749 HydrophobicContact CD1-CZ 3.78Å; L591-F749 HydrophobicContact CD2-CD1 4.42Å; L591-F749 HydrophobicContact CD2-CD2 3.74Å; L591-F749 HydrophobicContact CD2-CE1 4.25Å; L591-F749 HydrophobicContact CD2-CE2 3.52Å; L591-F749 HydrophobicContact CD2-CG 4.19Å; L591-F749 HydrophobicContact CD2-CZ 3.8Å; L591-F749 HydrophobicContact CG-CD2 4.25Å; L591-F749 HydrophobicContact CG-CE1 4.09Å; L591-F749 HydrophobicContact CG-CE2 3.5Å; L591-F749 VanDerWaalsContact CG-CE2 3.5Å; L591-F749 HydrophobicContact CG-CZ 3.42Å; L591-F749 VanDerWaalsContact CG-CZ 3.42Å |
| 592 | E | 94.3 | Very high | 91.8 | Very high | 9 Ų | 9 | 18.3 Ų | 18.3 | 4% | 0.042 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.4 | -42.4 | 170.7 | -62.8 | -66.9 | 150.4 | 0 | 0 | 111.5 | V405 I566 W567 F587 D589 S594 V595 Y596 F749 H753 | V405-E592 HydrophobicContact CG1-CB 4.39Å; I566-E592 WeakPolarHBondContact CA-OE2 3.26Å; I566-E592 WeakPolarHBondContact CB-OE2 3.1Å; W567-E592 PolarHBondContact N-OE2 2.88Å; F587-E592 HydrophobicContact CD1-CB 4.32Å; D589-E592 HydrophobicContact CB-CB 4Å; D589-E592 HydrophobicContact CB-CG 3.76Å; D589-E592 PolarHBondContact O-N 3.33Å; D589-E592 PolarHBondContact OD1-N 3.24Å; E592-S594 PolarHBondContact O-N 2.91Å; E592-V595 PolarHBondContact O-N 3.02Å; E592-Y596 PolarHBondContact O-N 3.46Å; E592-Y596 VanDerWaalsContact O-N 3.12Å; E592-F749 VanDerWaalsContact OE1-CE2 3.31Å; E592-F749 WeakPolarHBondContact OE1-CE2 3.41Å; E592-H753 IonicContact OE1-CE1 2.9Å; E592-H753 IonicContact OE1-NE2 3.7Å; E592-H753 PolarHBondContact OE1-NE2 3.16Å; E592-H753 VanDerWaalsContact OE1-NE2 3.07Å; E592-H753 IonicContact OE2-CE1 3.71Å; E592-H753 PolarHBondContact OE2-CE1 2.59Å; E592-H753 IonicContact OE2-NE2 2.74Å; E592-H753 PolarHBondContact OE2-NE2 3.12Å |
| 593 | A | 92.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.6 | -28.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L348 F587 D589 L591 G597 Y717 L720 | L348-A593 HydrophobicContact CB-CB 4.38Å; L348-A593 HydrophobicContact CD2-CB 3.9Å; F587-A593 HydrophobicContact CB-CB 3.72Å; F587-A593 HydrophobicContact CD1-CB 4.08Å; F587-A593 HydrophobicContact CD2-CB 4.3Å; F587-A593 HydrophobicContact CG-CB 3.79Å; D589-A593 WeakPolarHBondContact O-CB 3.06Å; D589-A593 PolarHBondContact O-N 3.46Å; L591-A593 VanDerWaalsContact C-N 3.32Å; L591-A593 PolarHBondContact O-N 3.43Å; A593-G597 PolarHBondContact O-N 2.92Å; A593-Y717 HydrophobicContact CB-CE1 3.99Å; A593-L720 HydrophobicContact CB-CD1 4.49Å |
| 594 | S | 92.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.007 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -77.8 | -30.9 | 178.2 | -65 | 0 | 0 | 0 | 0 | 112.5 | A590 L591 E592 G597 G598 V599 | A590-S594 WeakPolarHBondContact O-CB 3.38Å; A590-S594 PolarHBondContact O-N 2.88Å; A590-S594 VanDerWaalsContact O-N 3.11Å; A590-S594 PolarHBondContact O-OG 2.86Å; L591-S594 WeakPolarHBondContact O-CB 3.48Å; L591-S594 PolarHBondContact O-N 3.44Å; L591-S594 VanDerWaalsContact O-N 3.08Å; E592-S594 PolarHBondContact O-N 2.91Å; S594-G597 CarbonylContact O-C 3.58Å; S594-G597 PolarHBondContact O-N 2.91Å; S594-G598 PolarHBondContact O-N 3.41Å; S594-G598 VanDerWaalsContact O-N 3.15Å; S594-V599 WeakPolarHBondContact O-CB 3.42Å; S594-V599 PolarHBondContact O-N 3.07Å |
| 595 | V | 91.1 | Very high | 92.3 | Very high | 17 Ų | 17 | 21.1 Ų | 21.1 | 10% | 0.103 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -69.8 | -44.7 | 170 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | L591 E592 G597 G598 F749 | L591-V595 PolarHBondContact O-N 2.95Å; E592-V595 PolarHBondContact O-N 3.02Å; V595-G597 PolarHBondContact O-N 2.9Å; V595-G598 PolarHBondContact O-N 3.43Å; V595-F749 HydrophobicContact CG2-CE1 3.69Å; V595-F749 HydrophobicContact CG2-CZ 3.49Å; V595-F749 VanDerWaalsContact CG2-CZ 3.49Å |
| 596 | Y | 89.6 | Confident | 92.2 | Very high | 37 Ų | 37 | 21.1 Ų | 21.1 | 15% | 0.145 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -52.6 | -39.8 | 168.7 | 164.4 | -109.3 | 0 | 0 | 0 | 112 | L348 W567 F587 E592 G598 | L348-Y596 HydrophobicContact CD2-CD1 4.38Å; W567-Y596 HydrophobicContact CD2-CD2 4.24Å; W567-Y596 AromaticContact CE2-CD2 3.67Å; W567-Y596 AromaticContact CH2-CD2 3.87Å; W567-Y596 HydrophobicContact CH2-CD2 3.87Å; W567-Y596 HydrophobicContact CH2-CE2 4.23Å; W567-Y596 AromaticContact CZ2-CD2 3.49Å; W567-Y596 HydrophobicContact CZ2-CD2 3.49Å; W567-Y596 VanDerWaalsContact CZ2-CD2 3.49Å; W567-Y596 HydrophobicContact CZ2-CE2 4.12Å; W567-Y596 HydrophobicContact CZ2-CG 4.48Å; W567-Y596 HydrophobicContact CZ3-CD2 4.38Å; F587-Y596 HydrophobicContact CD2-CD1 4.44Å; F587-Y596 HydrophobicContact CE1-CG 4.21Å; F587-Y596 AromaticContact CE2-CD1 3.53Å; F587-Y596 HydrophobicContact CE2-CD1 3.53Å; F587-Y596 HydrophobicContact CE2-CD2 4.32Å; F587-Y596 AromaticContact CE2-CE1 3.94Å; F587-Y596 HydrophobicContact CE2-CE1 3.94Å; F587-Y596 AromaticContact CE2-CG 3.74Å; F587-Y596 HydrophobicContact CE2-CG 3.74Å; F587-Y596 VanDerWaalsContact CZ-CB 3.41Å; F587-Y596 AromaticContact CZ-CD1 3.65Å; F587-Y596 HydrophobicContact CZ-CD1 3.65Å; F587-Y596 AromaticContact CZ-CD2 3.83Å; F587-Y596 HydrophobicContact CZ-CD2 3.83Å; F587-Y596 HydrophobicContact CZ-CE1 4.37Å; F587-Y596 AromaticContact CZ-CG 3.33Å; F587-Y596 HydrophobicContact CZ-CG 3.33Å; E592-Y596 PolarHBondContact O-N 3.46Å; E592-Y596 VanDerWaalsContact O-N 3.12Å; Y596-G598 VanDerWaalsContact C-N 3.34Å; Y596-G598 PolarHBondContact O-N 2.92Å |
| 597 | G | 85.9 | Confident | 91.8 | Very high | 11 Ų | 11 | 23.2 Ų | 23.2 | 11% | 0.113 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -6.6 | 178 | 0 | 0 | 0 | 0 | 0 | 117.1 | A593 S594 V595 V599 V728 | A593-G597 PolarHBondContact O-N 2.92Å; S594-G597 CarbonylContact O-C 3.58Å; S594-G597 PolarHBondContact O-N 2.91Å; V595-G597 PolarHBondContact O-N 2.9Å; G597-V599 VanDerWaalsContact C-N 3.32Å; G597-V599 PolarHBondContact O-N 3.13Å; G597-V728 VanDerWaalsContact O-CB 3.27Å; G597-V728 WeakPolarHBondContact O-CB 3.27Å; G597-V728 WeakPolarHBondContact O-CG2 3.45Å |
| 598 | G | 87 | Confident | 91.4 | Very high | 27 Ų | 27 | 28.1 Ų | 28.1 | 28% | 0.278 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 35 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | S594 V595 Y596 V728 | S594-G598 PolarHBondContact O-N 3.41Å; S594-G598 VanDerWaalsContact O-N 3.15Å; V595-G598 PolarHBondContact O-N 3.43Å; Y596-G598 VanDerWaalsContact C-N 3.34Å; Y596-G598 PolarHBondContact O-N 2.92Å; G598-V728 PolarHBondContact O-N 3Å |
| 599 | V | 90 | Very high | 91.2 | Very high | 12 Ų | 12 | 29 Ų | 29 | 7% | 0.073 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 130.2 | 168.6 | 177 | 0 | 0 | 0 | 0 | 109 | S594 G597 F716 G729 | S594-V599 WeakPolarHBondContact O-CB 3.42Å; S594-V599 PolarHBondContact O-N 3.07Å; G597-V599 VanDerWaalsContact C-N 3.32Å; G597-V599 PolarHBondContact O-N 3.13Å; V599-F716 HydrophobicContact CG1-CD2 4.12Å; V599-F716 HydrophobicContact CG1-CE1 4.39Å; V599-F716 HydrophobicContact CG1-CE2 3.69Å; V599-F716 HydrophobicContact CG1-CZ 3.83Å; V599-F716 HydrophobicContact CG2-CB 4.43Å; V599-F716 HydrophobicContact CG2-CD1 4.42Å; V599-F716 HydrophobicContact CG2-CD2 4.17Å; V599-F716 HydrophobicContact CG2-CG 4.11Å; V599-G729 WeakPolarHBondContact CA-O 3.47Å |
| 600 | Q | 91.1 | Very high | 90.9 | Very high | 91 Ų | 91 | 33.2 Ų | 33.2 | 43% | 0.425 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 131.4 | 176.9 | -69.6 | 176.9 | -18.5 | 0 | 0 | 110.6 | P727 G729 Q730 S731 | Q600-P727 HydrophobicContact CG-CB 4.18Å; Q600-G729 PolarHBondContact N-O 2.98Å; Q600-Q730 HydrophobicContact CB-CG 4.32Å; Q600-Q730 CarbonylContact O-C 3.57Å; Q600-Q730 WeakPolarHBondContact O-CA 3.39Å; Q600-S731 PolarHBondContact O-N 3.03Å |
| 601 | L | 93.1 | Very high | 90.7 | Very high | 36 Ų | 36 | 36.9 Ų | 36.9 | 19% | 0.188 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 130.3 | 173.2 | -54.8 | -174 | 0 | 0 | 0 | 109.7 | L591 F713 F749 Y750 L755 | L591-L601 HydrophobicContact CD1-CD1 4.25Å; L591-L601 HydrophobicContact CD1-CD2 4.46Å; L601-F713 HydrophobicContact CD2-CE1 3.62Å; L601-F713 HydrophobicContact CD2-CZ 4.14Å; L601-F749 HydrophobicContact CD1-CD1 4.18Å; L601-F749 HydrophobicContact CD1-CE1 3.78Å; L601-Y750 HydrophobicContact CB-CE2 4.18Å; L601-Y750 WeakPolarHBondContact CB-OH 3.44Å; L601-Y750 HydrophobicContact CD1-CE2 4.09Å; L601-Y750 PolarHBondContact O-OH 3.06Å; L601-L755 HydrophobicContact CD1-CD1 3.9Å |
| 602 | D | 92.1 | Very high | 90.5 | Very high | 41 Ų | 41 | 37 Ų | 37 | 22% | 0.219 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 138.4 | 171.9 | 178.2 | 16.3 | 0 | 0 | 0 | 108.1 | R604 S731 V732 V733 | D602-R604 IonicContact OD2-CZ 3.83Å; D602-R604 IonicContact OD2-NE 2.73Å; D602-R604 PolarHBondContact OD2-NE 2.94Å; D602-R604 IonicContact OD2-NH2 2.96Å; D602-R604 PolarHBondContact OD2-NH2 2.94Å; D602-R604 VanDerWaalsContact OD2-NH2 3.11Å; D602-S731 PolarHBondContact N-O 2.99Å; D602-V732 HydrophobicContact CB-CG1 4.44Å; D602-V732 HydrophobicContact CB-CG2 4.17Å; D602-V733 PolarHBondContact O-N 3.49Å |
| 603 | V | 94.2 | Very high | 90.2 | Very high | 27 Ų | 27 | 37.6 Ų | 37.6 | 16% | 0.164 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 103.5 | 179.5 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | V733 A735 L746 Y750 L761 | V603-V733 WeakPolarHBondContact CA-O 3.11Å; V603-V733 HydrophobicContact CG1-CB 4.47Å; V603-V733 HydrophobicContact CG2-CB 4.26Å; V603-V733 HydrophobicContact CG2-CG2 4.48Å; V603-A735 HydrophobicContact CG1-CB 4.22Å; V603-L746 HydrophobicContact CG1-CD1 4.34Å; V603-L746 HydrophobicContact CG2-CD1 4.14Å; V603-Y750 HydrophobicContact CG2-CE2 4.23Å; V603-L761 HydrophobicContact CB-CD1 4.43Å; V603-L761 HydrophobicContact CG1-CD1 4.09Å; V603-L761 HydrophobicContact CG1-CD2 4.16Å |
| 604 | R | 93.6 | Very high | 90 | Very high | 44 Ų | 44 | 42.4 Ų | 42.4 | 17% | 0.166 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 119.4 | 177.1 | -52.4 | -169.9 | -172.2 | -164.3 | -6.8 | 107.9 | D602 V606 E622 V732 V733 F734 A735 | D602-R604 IonicContact OD2-CZ 3.83Å; D602-R604 IonicContact OD2-NE 2.73Å; D602-R604 PolarHBondContact OD2-NE 2.94Å; D602-R604 IonicContact OD2-NH2 2.96Å; D602-R604 PolarHBondContact OD2-NH2 2.94Å; D602-R604 VanDerWaalsContact OD2-NH2 3.11Å; R604-V606 HydrophobicContact CB-CG2 4.17Å; R604-E622 IonicContact NH2-OE2 2.69Å; R604-V732 HydrophobicContact CG-CG1 4.28Å; R604-V733 PolarHBondContact N-O 2.91Å; R604-F734 HydrophobicContact CB-CD1 4.2Å; R604-F734 WeakPolarHBondContact O-CA 3.43Å; R604-A735 PolarHBondContact O-N 2.89Å |
| 605 | V | 93.3 | Very high | 89.8 | Confident | 28 Ų | 28 | 44.9 Ų | 44.9 | 17% | 0.17 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 123.9 | 173.8 | 179.7 | 0 | 0 | 0 | 0 | 108 | A735 P737 L761 I764 | V605-A735 CarbonylContact C-O 3.48Å; V605-A735 VanDerWaalsContact CA-O 3.24Å; V605-A735 WeakPolarHBondContact CA-O 3.47Å; V605-P737 HydrophobicContact CG1-CG 3.81Å; V605-L761 HydrophobicContact CG2-CD2 3.41Å; V605-L761 VanDerWaalsContact CG2-CD2 3.41Å; V605-I764 HydrophobicContact CB-CD1 4.34Å; V605-I764 HydrophobicContact CG1-CD1 3.77Å; V605-I764 HydrophobicContact CG2-CD1 3.82Å |
| 606 | V | 92.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | trans | -141 | 125.3 | -170 | -172.5 | 0 | 0 | 0 | 0 | 107.7 | R604 E611 K612 A735 K736 | R604-V606 HydrophobicContact CB-CG2 4.17Å; V606-E611 HydrophobicContact CG1-CB 3.65Å; V606-E611 HydrophobicContact CG1-CG 3.67Å; V606-E611 VanDerWaalsContact CG1-OE2 3.25Å; V606-E611 WeakPolarHBondContact CG1-OE2 3.33Å; V606-K612 HydrophobicContact CB-CG 3.99Å; V606-K612 HydrophobicContact CG1-CB 4.17Å; V606-K612 HydrophobicContact CG1-CG 3.52Å; V606-K612 VanDerWaalsContact CG1-N 3.34Å; V606-A735 PolarHBondContact N-O 2.89Å; V606-K736 WeakPolarHBondContact O-CA 3.44Å | ||
| 607 | A | 86.5 | Confident | 89.5 | Confident | 43 Ų | 43 | 45.7 Ų | 45.7 | 36% | 0.355 | 25% | 0.247 | S | C | . | . | trans | -80.7 | -53.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | E611 | A607-E611 PolarHBondContact N-OE2 3.01Š| ||
| 608 | D | 87.6 | Confident | 89.5 | Confident | 105 Ų | 105 | 47 Ų | 47 | 56% | 0.561 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -107.9 | 150 | -165.6 | -64.7 | -54.5 | 0 | 0 | 0 | 112.7 | E611 K612 | D608-E611 HydrophobicContact CB-CB 4.46Å; D608-E611 WeakPolarHBondContact O-CB 3.5Å; D608-E611 PolarHBondContact O-N 2.91Å; D608-K612 PolarHBondContact O-N 3.27Å; D608-K612 VanDerWaalsContact O-N 3.07Å |
| 609 | E | 86.7 | Confident | 89.4 | Confident | 69 Ų | 69 | 45.8 Ų | 45.8 | 32% | 0.322 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.6 | -36.9 | -179.4 | -64.5 | -64 | 135.3 | 0 | 0 | 113.7 | E611 K612 I613 Y700 K736 | E609-E611 VanDerWaalsContact C-N 3.3Å; E609-E611 PolarHBondContact O-N 3.41Å; E609-K612 WeakPolarHBondContact O-CB 3.4Å; E609-K612 PolarHBondContact O-N 2.83Å; E609-K612 WeakPolarHBondContact OE1-CE 2.96Å; E609-K612 IonicContact OE1-NZ 3.33Å; E609-K612 PolarHBondContact OE1-NZ 3.31Å; E609-K612 IonicContact OE2-NZ 3.04Å; E609-I613 WeakPolarHBondContact O-CG1 3.32Å; E609-I613 PolarHBondContact O-N 3.12Å; E609-I613 VanDerWaalsContact O-N 3.12Å; E609-Y700 VanDerWaalsContact OE2-CE1 3.23Å; E609-Y700 WeakPolarHBondContact OE2-CE1 3.32Å; E609-Y700 VanDerWaalsContact OE2-CZ 3.3Å; E609-Y700 PolarHBondContact OE2-OH 2.96Å; E609-K736 WeakPolarHBondContact OE1-CE 3.33Å; E609-K736 IonicContact OE1-NZ 3.43Å; E609-K736 PolarHBondContact OE1-NZ 2.67Å |
| 610 | P | 87.7 | Confident | 88.9 | Confident | 94 Ų | 94 | 46.6 Ų | 46.6 | 61% | 0.61 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -59.2 | -39.8 | 170.3 | -25.2 | 36 | 0 | 0 | 0 | 112.8 | K612 I613 E614 | P610-K612 VanDerWaalsContact C-N 3.33Å; P610-K612 PolarHBondContact O-N 2.86Å; P610-I613 PolarHBondContact O-N 2.85Å; P610-I613 VanDerWaalsContact O-N 3.12Å; P610-E614 PolarHBondContact O-N 3.46Å |
| 611 | E | 89.3 | Confident | 88.3 | Confident | 81 Ų | 81 | 46.1 Ų | 46.1 | 38% | 0.379 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.4 | -37.9 | 177.6 | -168.1 | -169.8 | -158.1 | 0 | 0 | 111.3 | V606 A607 D608 E609 I613 E614 H615 | V606-E611 HydrophobicContact CG1-CB 3.65Å; V606-E611 HydrophobicContact CG1-CG 3.67Å; V606-E611 VanDerWaalsContact CG1-OE2 3.25Å; V606-E611 WeakPolarHBondContact CG1-OE2 3.33Å; A607-E611 PolarHBondContact N-OE2 3.01Å; D608-E611 HydrophobicContact CB-CB 4.46Å; D608-E611 WeakPolarHBondContact O-CB 3.5Å; D608-E611 PolarHBondContact O-N 2.91Å; E609-E611 VanDerWaalsContact C-N 3.3Å; E609-E611 PolarHBondContact O-N 3.41Å; E611-I613 VanDerWaalsContact C-N 3.32Å; E611-I613 PolarHBondContact O-N 2.77Å; E611-E614 PolarHBondContact O-N 3.28Å; E611-H615 WeakPolarHBondContact O-CB 3.5Å; E611-H615 PolarHBondContact O-N 3.4Å; E611-H615 PolarHBondContact O-ND1 3.45Å; E611-H615 IonicContact OE1-CE1 3.66Å |
| 612 | K | 90.1 | Very high | 87.4 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.009 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 171.6 | -75.1 | -173.1 | -179.1 | 174.3 | 0 | 112 | V606 D608 E609 P610 H615 L616 Y700 S701 F734 | V606-K612 HydrophobicContact CB-CG 3.99Å; V606-K612 HydrophobicContact CG1-CB 4.17Å; V606-K612 HydrophobicContact CG1-CG 3.52Å; V606-K612 VanDerWaalsContact CG1-N 3.34Å; D608-K612 PolarHBondContact O-N 3.27Å; D608-K612 VanDerWaalsContact O-N 3.07Å; E609-K612 WeakPolarHBondContact O-CB 3.4Å; E609-K612 PolarHBondContact O-N 2.83Å; E609-K612 WeakPolarHBondContact OE1-CE 2.96Å; E609-K612 IonicContact OE1-NZ 3.33Å; E609-K612 PolarHBondContact OE1-NZ 3.31Å; E609-K612 IonicContact OE2-NZ 3.04Å; P610-K612 VanDerWaalsContact C-N 3.33Å; P610-K612 PolarHBondContact O-N 2.86Å; K612-H615 PolarHBondContact O-N 2.77Å; K612-L616 VanDerWaalsContact O-CB 3.23Å; K612-L616 WeakPolarHBondContact O-CB 3.45Å; K612-L616 PolarHBondContact O-N 2.92Å; K612-Y700 HydrophobicContact CB-CE2 4.12Å; K612-Y700 HydrophobicContact CD-CD1 4.48Å; K612-Y700 HydrophobicContact CD-CE1 3.85Å; K612-Y700 HydrophobicContact CD-CE2 4.03Å; K612-Y700 WeakPolarHBondContact CE-O 3.27Å; K612-Y700 PolarHBondContact NZ-O 2.69Å; K612-S701 PolarHBondContact NZ-OG 3.1Å; K612-S701 VanDerWaalsContact NZ-OG 3.14Å; K612-F734 HydrophobicContact CB-CD2 4.18Å; K612-F734 HydrophobicContact CB-CE2 4.38Å; K612-F734 HydrophobicContact CD-CB 4.46Å; K612-F734 HydrophobicContact CD-CD2 4.15Å; K612-F734 HydrophobicContact CG-CD2 4.05Å |
| 613 | I | 88.6 | Confident | 86.5 | Confident | 22 Ų | 22 | 50.8 Ų | 50.8 | 11% | 0.113 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.2 | -38.8 | 178.1 | -62.8 | -60.1 | 0 | 0 | 0 | 111.1 | E609 P610 E611 L616 K617 L644 I651 Y700 | E609-I613 WeakPolarHBondContact O-CG1 3.32Å; E609-I613 PolarHBondContact O-N 3.12Å; E609-I613 VanDerWaalsContact O-N 3.12Å; P610-I613 PolarHBondContact O-N 2.85Å; P610-I613 VanDerWaalsContact O-N 3.12Å; E611-I613 VanDerWaalsContact C-N 3.32Å; E611-I613 PolarHBondContact O-N 2.77Å; I613-L616 PolarHBondContact O-N 3.35Å; I613-K617 HydrophobicContact CG2-CD 4.49Å; I613-K617 WeakPolarHBondContact O-CG 3.37Å; I613-K617 PolarHBondContact O-N 3.13Å; I613-L644 HydrophobicContact CD1-CD1 3.49Å; I613-L644 VanDerWaalsContact CD1-CD1 3.49Å; I613-I651 HydrophobicContact CG2-CD1 4.37Å; I613-Y700 HydrophobicContact CD1-CE2 4.4Å |
| 614 | E | 87.9 | Confident | 84.5 | Confident | 101 Ų | 101 | 60.9 Ų | 60.9 | 47% | 0.472 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.9 | -40.5 | 172.8 | -59 | -42.5 | 121.2 | 0 | 0 | 112.5 | P610 E611 L616 K617 A618 | P610-E614 PolarHBondContact O-N 3.46Å; E611-E614 PolarHBondContact O-N 3.28Å; E614-L616 VanDerWaalsContact C-N 3.26Å; E614-L616 PolarHBondContact O-N 2.89Å; E614-K617 WeakPolarHBondContact O-CB 3.33Å; E614-K617 PolarHBondContact O-N 3.49Å; E614-K617 IonicContact OE1-NZ 3.87Å; E614-K617 PolarHBondContact OE1-NZ 3.06Å; E614-K617 WeakPolarHBondContact OE2-CD 3.45Å; E614-K617 IonicContact OE2-NZ 2.71Å; E614-K617 PolarHBondContact OE2-NZ 3.47Å; E614-A618 WeakPolarHBondContact O-CB 3.34Å; E614-A618 PolarHBondContact O-N 3.25Å |
| 615 | H | 88.8 | Confident | 82.6 | Confident | 53 Ų | 53 | 63.2 Ų | 63.2 | 25% | 0.245 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.5 | -35.1 | 172.9 | -82.2 | 60.1 | 0 | 0 | 0 | 112.4 | E611 K612 L619 F734 | E611-H615 WeakPolarHBondContact O-CB 3.5Å; E611-H615 PolarHBondContact O-N 3.4Å; E611-H615 PolarHBondContact O-ND1 3.45Å; E611-H615 IonicContact OE1-CE1 3.66Å; K612-H615 PolarHBondContact O-N 2.77Å; H615-L619 WeakPolarHBondContact O-CB 3.37Å; H615-L619 PolarHBondContact O-N 3.41Å; H615-F734 HydrophobicContact CB-CE1 4.41Å; H615-F734 HydrophobicContact CB-CZ 4.19Å |
| 616 | L | 88.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -72.2 | -42.4 | 175.9 | -179.5 | 53.1 | 0 | 0 | 0 | 112.1 | K612 I613 E614 A618 L619 I620 M633 L644 L648 I698 F734 | K612-L616 VanDerWaalsContact O-CB 3.23Å; K612-L616 WeakPolarHBondContact O-CB 3.45Å; K612-L616 PolarHBondContact O-N 2.92Å; I613-L616 PolarHBondContact O-N 3.35Å; E614-L616 VanDerWaalsContact C-N 3.26Å; E614-L616 PolarHBondContact O-N 2.89Å; L616-A618 VanDerWaalsContact C-N 3.33Å; L616-A618 PolarHBondContact O-N 2.91Å; L616-L619 PolarHBondContact O-N 2.68Å; L616-I620 HydrophobicContact CD1-CD1 3.88Å; L616-I620 HydrophobicContact CD1-CG1 4.22Å; L616-I620 HydrophobicContact CG-CD1 3.97Å; L616-I620 WeakPolarHBondContact O-CB 3.4Å; L616-I620 WeakPolarHBondContact O-CD1 3.33Å; L616-I620 VanDerWaalsContact O-CG1 3.24Å; L616-I620 WeakPolarHBondContact O-CG1 3.27Å; L616-I620 PolarHBondContact O-N 3.46Å; L616-M633 HydrophobicContact CD1-CE 3.42Å; L616-M633 VanDerWaalsContact CD1-CE 3.42Å; L616-M633 HydrophobicContact CD2-CE 3.54Å; L616-M633 HydrophobicContact CD2-SD 4.42Å; L616-M633 HydrophobicContact CG-CE 4.13Å; L616-L644 HydrophobicContact CD2-CD1 4.44Å; L616-L648 HydrophobicContact CD2-CD2 3.86Å; L616-I698 HydrophobicContact CD1-CD1 3.95Å; L616-F734 HydrophobicContact CB-CE2 4.18Å; L616-F734 HydrophobicContact CB-CZ 4.23Å |
| 617 | K | 84.4 | Confident | 78.8 | Confident | 71 Ų | 71 | 65.8 Ų | 65.8 | 31% | 0.309 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.6 | -47.2 | 170.4 | -76.7 | 162.5 | 170.6 | 176.5 | 0 | 111.4 | I613 E614 I620 A621 I651 | I613-K617 HydrophobicContact CG2-CD 4.49Å; I613-K617 WeakPolarHBondContact O-CG 3.37Å; I613-K617 PolarHBondContact O-N 3.13Å; E614-K617 WeakPolarHBondContact O-CB 3.33Å; E614-K617 PolarHBondContact O-N 3.49Å; E614-K617 IonicContact OE1-NZ 3.87Å; E614-K617 PolarHBondContact OE1-NZ 3.06Å; E614-K617 WeakPolarHBondContact OE2-CD 3.45Å; E614-K617 IonicContact OE2-NZ 2.71Å; E614-K617 PolarHBondContact OE2-NZ 3.47Å; K617-I620 PolarHBondContact O-N 2.66Å; K617-A621 WeakPolarHBondContact O-CB 3.23Å; K617-A621 PolarHBondContact O-N 3.06Å; K617-I651 HydrophobicContact CD-CD1 4.26Å; K617-I651 HydrophobicContact CG-CD1 3.6Å |
| 618 | A | 86.3 | Confident | 77.5 | Confident | 39 Ų | 39 | 69.1 Ų | 69.1 | 32% | 0.322 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59 | -50.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E614 L616 I620 A621 E622 | E614-A618 WeakPolarHBondContact O-CB 3.34Å; E614-A618 PolarHBondContact O-N 3.25Å; L616-A618 VanDerWaalsContact C-N 3.33Å; L616-A618 PolarHBondContact O-N 2.91Å; A618-I620 VanDerWaalsContact C-N 3.28Å; A618-I620 PolarHBondContact O-N 3.01Å; A618-A621 PolarHBondContact O-N 2.71Å; A618-A621 VanDerWaalsContact O-N 3.11Å; A618-E622 WeakPolarHBondContact O-CB 3.41Å; A618-E622 WeakPolarHBondContact O-CG 3.33Å; A618-E622 PolarHBondContact O-N 3Å |
| 619 | L | 85.5 | Confident | 76.8 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.9 | -36.1 | 177.5 | 179.5 | 64 | 0 | 0 | 0 | 113.3 | H615 L616 L696 I698 V732 | H615-L619 WeakPolarHBondContact O-CB 3.37Å; H615-L619 PolarHBondContact O-N 3.41Å; L616-L619 PolarHBondContact O-N 2.68Å; L619-L696 HydrophobicContact CD2-CD2 4.41Å; L619-L696 HydrophobicContact CG-CD2 4.45Å; L619-I698 HydrophobicContact CD2-CD1 3.74Å; L619-I698 HydrophobicContact CD2-CG1 3.99Å; L619-V732 HydrophobicContact CD1-CG2 4.07Å; L619-V732 HydrophobicContact CD2-CB 4.18Å; L619-V732 HydrophobicContact CD2-CG1 4.2Å; L619-V732 HydrophobicContact CD2-CG2 3.95Å |
| 620 | I | 79.3 | Confident | 76.6 | Confident | 30 Ų | 30 | 64.8 Ų | 64.8 | 15% | 0.154 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -71 | -42 | 175.8 | -68.4 | 165.2 | 0 | 0 | 0 | 111 | L616 K617 A618 F626 V653 | L616-I620 HydrophobicContact CD1-CD1 3.88Å; L616-I620 HydrophobicContact CD1-CG1 4.22Å; L616-I620 HydrophobicContact CG-CD1 3.97Å; L616-I620 WeakPolarHBondContact O-CB 3.4Å; L616-I620 WeakPolarHBondContact O-CD1 3.33Å; L616-I620 VanDerWaalsContact O-CG1 3.24Å; L616-I620 WeakPolarHBondContact O-CG1 3.27Å; L616-I620 PolarHBondContact O-N 3.46Å; K617-I620 PolarHBondContact O-N 2.66Å; A618-I620 VanDerWaalsContact C-N 3.28Å; A618-I620 PolarHBondContact O-N 3.01Å; I620-F626 HydrophobicContact CB-CD2 4.17Å; I620-F626 HydrophobicContact CB-CE2 4.22Å; I620-F626 HydrophobicContact CG1-CD2 4.16Å; I620-F626 HydrophobicContact CG1-CE1 4.41Å; I620-F626 HydrophobicContact CG1-CE2 3.72Å; I620-F626 HydrophobicContact CG1-CZ 3.86Å; I620-F626 HydrophobicContact CG2-CB 4.44Å; I620-F626 HydrophobicContact CG2-CD1 4.45Å; I620-F626 HydrophobicContact CG2-CD2 4.12Å; I620-F626 HydrophobicContact CG2-CG 4.09Å; I620-V653 HydrophobicContact CD1-CG1 4.32Å; I620-V653 HydrophobicContact CD1-CG2 4.21Å |
| 621 | A | 77.8 | Confident | 76.6 | Confident | 80 Ų | 80 | 60.4 Ų | 60.4 | 66% | 0.661 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -76.5 | -35.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | K617 A618 R623 | K617-A621 WeakPolarHBondContact O-CB 3.23Å; K617-A621 PolarHBondContact O-N 3.06Å; A618-A621 PolarHBondContact O-N 2.71Å; A618-A621 VanDerWaalsContact O-N 3.11Å; A621-R623 VanDerWaalsContact C-N 3.26Å; A621-R623 PolarHBondContact O-N 2.98Å |
| 622 | E | 75.6 | Confident | 76.8 | Confident | 116 Ų | 116 | 56.5 Ų | 56.5 | 54% | 0.542 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -56.3 | -42 | 174.7 | -78.9 | 164.1 | -171.7 | 0 | 0 | 111.1 | R604 A618 R624 | R604-E622 IonicContact NH2-OE2 2.69Å; A618-E622 WeakPolarHBondContact O-CB 3.41Å; A618-E622 WeakPolarHBondContact O-CG 3.33Å; A618-E622 PolarHBondContact O-N 3Å; E622-R624 PolarHBondContact O-N 3.47Å |
| 623 | R | 71.9 | Confident | 77 | Confident | 59 Ų | 59 | 56.4 Ų | 56.4 | 22% | 0.223 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -79.7 | 88.5 | 176.6 | -75.9 | -170.1 | 174.6 | -117.3 | -1.1 | 110.7 | A621 N625 F626 E629 | A621-R623 VanDerWaalsContact C-N 3.26Å; A621-R623 PolarHBondContact O-N 2.98Å; R623-N625 PolarHBondContact O-N 3.26Å; R623-F626 HydrophobicContact CB-CD2 3.99Å; R623-F626 PolarHBondContact O-N 3.45Å; R623-E629 IonicContact CZ-OE2 2.98Å; R623-E629 IonicContact NH1-OE2 2.91Å; R623-E629 PolarHBondContact NH1-OE2 3.48Å |
| 624 | R | 52.3 | Low | 77.3 | Confident | 240 Ų | 240 | 55.4 Ų | 55.4 | 91% | 0.906 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.1 | -15.6 | 173.9 | -61.7 | -177.2 | 179.7 | -175 | -1.3 | 116.4 | E622 | E622-R624 PolarHBondContact O-N 3.47Š|
| 625 | N | 53.7 | Low | 77.7 | Confident | 93 Ų | 93 | 50.6 Ų | 50.6 | 50% | 0.497 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | 22.7 | 178.9 | -88.3 | -17.1 | 0 | 0 | 0 | 114.2 | R623 A627 N628 E629 | R623-N625 PolarHBondContact O-N 3.26Å; N625-A627 PolarHBondContact O-N 3.47Å; N625-N628 PolarHBondContact O-N 3.23Å; N625-E629 PolarHBondContact O-N 2.71Å |
| 626 | F | 55.3 | Low | 77.7 | Confident | 19 Ų | 19 | 50.3 Ų | 50.3 | 8% | 0.083 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -54.1 | -28.9 | 173.1 | -140.4 | -73.3 | 0 | 0 | 0 | 111.9 | I620 R623 N628 E629 A631 S676 L696 | I620-F626 HydrophobicContact CB-CD2 4.17Å; I620-F626 HydrophobicContact CB-CE2 4.22Å; I620-F626 HydrophobicContact CG1-CD2 4.16Å; I620-F626 HydrophobicContact CG1-CE1 4.41Å; I620-F626 HydrophobicContact CG1-CE2 3.72Å; I620-F626 HydrophobicContact CG1-CZ 3.86Å; I620-F626 HydrophobicContact CG2-CB 4.44Å; I620-F626 HydrophobicContact CG2-CD1 4.45Å; I620-F626 HydrophobicContact CG2-CD2 4.12Å; I620-F626 HydrophobicContact CG2-CG 4.09Å; R623-F626 HydrophobicContact CB-CD2 3.99Å; R623-F626 PolarHBondContact O-N 3.45Å; F626-N628 PolarHBondContact O-N 3.32Å; F626-E629 PolarHBondContact O-N 3.35Å; F626-A631 HydrophobicContact CE1-CB 3.77Å; F626-A631 HydrophobicContact CE2-CB 4.49Å; F626-A631 HydrophobicContact CZ-CB 3.51Å; F626-S676 WeakPolarHBondContact O-CA 3.43Å; F626-L696 HydrophobicContact CE2-CD2 3.66Å; F626-L696 HydrophobicContact CZ-CD2 4.02Å |
| 627 | A | 51.9 | Low | 77.8 | Confident | 63 Ų | 63 | 53.4 Ų | 53.4 | 52% | 0.521 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -60.7 | -7.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | N625 S676 | N625-A627 PolarHBondContact O-N 3.47Å; A627-S676 WeakPolarHBondContact O-CA 3.41Å; A627-S676 WeakPolarHBondContact O-CB 3.46Å; A627-S676 PolarHBondContact O-OG 2.88Å |
| 628 | N | 58.8 | Low | 78.1 | Confident | 113 Ų | 113 | 52.8 Ų | 52.8 | 60% | 0.604 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -136 | -0.1 | -179.8 | -69.4 | -56.4 | 0 | 0 | 0 | 113.8 | N625 F626 | N625-N628 PolarHBondContact O-N 3.23Å; F626-N628 PolarHBondContact O-N 3.32Å |
| 629 | E | 73.3 | Confident | 78.5 | Confident | 61 Ų | 61 | 55.1 Ų | 55.1 | 29% | 0.285 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -116.9 | 114.7 | -173.3 | -79.5 | -172.6 | -167.9 | 0 | 0 | 111.7 | R623 N625 F626 A631 P675 P695 | R623-E629 IonicContact CZ-OE2 2.98Å; R623-E629 IonicContact NH1-OE2 2.91Å; R623-E629 PolarHBondContact NH1-OE2 3.48Å; N625-E629 PolarHBondContact O-N 2.71Å; F626-E629 PolarHBondContact O-N 3.35Å; E629-A631 PolarHBondContact O-N 3.45Å; E629-P675 CarbonylContact C-O 3.24Å; E629-P675 VanDerWaalsContact C-O 3.24Å; E629-P695 HydrophobicContact CB-CG 3.73Å; E629-P695 HydrophobicContact CG-CG 3.96Å |
| 630 | P | 81.3 | Confident | 78.8 | Confident | 23 Ų | 23 | 56.4 Ų | 56.4 | 15% | 0.149 | 30% | 0.304 | C | S | . | . | trans | -73.4 | 119.6 | -175.9 | 26.2 | -32.6 | 0 | 0 | 0 | 111.5 | W670 P675 P695 | P630-W670 HydrophobicContact CB-CH2 3.98Å; P630-W670 HydrophobicContact CB-CZ2 3.54Å; P630-P675 WeakPolarHBondContact CA-O 3.38Å; P630-P675 VanDerWaalsContact N-O 3.11Å; P630-P695 WeakPolarHBondContact O-CD 3.26Å | ||
| 631 | A | 87.9 | Confident | 79.6 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.008 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 138.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F626 E629 G677 L678 L679 L696 | F626-A631 HydrophobicContact CE1-CB 3.77Å; F626-A631 HydrophobicContact CE2-CB 4.49Å; F626-A631 HydrophobicContact CZ-CB 3.51Å; E629-A631 PolarHBondContact O-N 3.45Å; A631-G677 PolarHBondContact N-O 3.23Å; A631-L678 HydrophobicContact CB-CD1 3.66Å; A631-L679 PolarHBondContact O-N 3.27Å; A631-L696 HydrophobicContact CB-CB 4.2Å; A631-L696 HydrophobicContact CB-CD2 4.16Å; A631-L696 HydrophobicContact CB-CG 4.37Å |
| 632 | V | 92.9 | Very high | 80.3 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 134.5 | 172.6 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | W670 L679 V681 C691 I694 L696 L697 I698 L715 | V632-W670 HydrophobicContact CG2-CH2 3.66Å; V632-W670 HydrophobicContact CG2-CZ2 4.22Å; V632-W670 HydrophobicContact CG2-CZ3 4.48Å; V632-L679 HydrophobicContact CG2-CB 4.49Å; V632-L679 HydrophobicContact CG2-CD2 4.49Å; V632-V681 HydrophobicContact CG1-CG1 4.39Å; V632-V681 HydrophobicContact CG1-CG2 3.9Å; V632-C691 HydrophobicContact CG2-CB 4.31Å; V632-I694 HydrophobicContact CB-CD1 4.44Å; V632-I694 HydrophobicContact CG2-CD1 4.31Å; V632-I694 HydrophobicContact CG2-CG2 3.81Å; V632-L696 PolarHBondContact N-O 3.08Å; V632-L696 VanDerWaalsContact N-O 3.1Å; V632-L697 HydrophobicContact CB-CD1 4.27Å; V632-L697 HydrophobicContact CG1-CD1 4.39Å; V632-L697 CarbonylContact O-C 3.22Å; V632-L697 WeakPolarHBondContact O-CA 3.29Å; V632-I698 PolarHBondContact O-N 3.49Å; V632-L715 HydrophobicContact CB-CD1 4.45Å; V632-L715 HydrophobicContact CG1-CD1 3.89Å |
| 633 | M | 94.3 | Very high | 81 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 122.9 | 177.3 | -179.9 | 178.7 | -75.6 | 0 | 0 | 110.3 | L616 L644 L678 L679 L680 V681 I698 Y700 | L616-M633 HydrophobicContact CD1-CE 3.42Å; L616-M633 VanDerWaalsContact CD1-CE 3.42Å; L616-M633 HydrophobicContact CD2-CE 3.54Å; L616-M633 HydrophobicContact CD2-SD 4.42Å; L616-M633 HydrophobicContact CG-CE 4.13Å; M633-L644 HydrophobicContact SD-CD2 3.42Å; M633-L644 WeakPolarHBondContact SD-CD2 3.4Å; M633-L644 HydrophobicContact SD-CG 4.44Å; M633-L678 HydrophobicContact CB-CD1 4.06Å; M633-L678 HydrophobicContact CB-CG 4.43Å; M633-L678 HydrophobicContact CE-CD1 4.43Å; M633-L678 HydrophobicContact CE-CD2 3.97Å; M633-L678 HydrophobicContact SD-CD2 4.22Å; M633-L679 PolarHBondContact N-O 3.39Å; M633-L680 HydrophobicContact CB-CD2 3.91Å; M633-L680 HydrophobicContact CG-CD2 4.14Å; M633-L680 HydrophobicContact SD-CD2 3.62Å; M633-V681 PolarHBondContact O-N 3.04Å; M633-I698 CarbonylContact C-O 3.51Å; M633-I698 VanDerWaalsContact CA-O 3.28Å; M633-I698 WeakPolarHBondContact CA-O 3.26Å; M633-I698 HydrophobicContact CB-CB 4.21Å; M633-I698 HydrophobicContact CE-CB 3.99Å; M633-I698 HydrophobicContact CE-CD1 3.69Å; M633-I698 HydrophobicContact CE-CG1 4.44Å; M633-I698 HydrophobicContact CE-CG2 3.7Å; M633-I698 HydrophobicContact CG-CB 4.13Å; M633-I698 HydrophobicContact CG-CG2 4.24Å; M633-Y700 HydrophobicContact CE-CD2 4.48Å; M633-Y700 HydrophobicContact SD-CD2 4.08Å; M633-Y700 HydrophobicContact SD-CG 4.4Å |
| 634 | V | 96.4 | Very high | 82 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 117.9 | 179.4 | -164.3 | 0 | 0 | 0 | 0 | 110 | V681 V686 L697 I698 Y700 R712 | V634-V681 WeakPolarHBondContact CA-O 3.43Å; V634-V681 HydrophobicContact CB-CG2 4.24Å; V634-V681 HydrophobicContact CG1-CG2 4.21Å; V634-V681 HydrophobicContact CG2-CG2 3.81Å; V634-V686 HydrophobicContact CG1-CG2 4.35Å; V634-V686 HydrophobicContact CG2-CG2 4.47Å; V634-L697 HydrophobicContact CG2-CD1 3.91Å; V634-I698 PolarHBondContact N-O 2.92Å; V634-Y700 PolarHBondContact O-N 2.85Å; V634-Y700 VanDerWaalsContact O-N 3.16Å; V634-R712 HydrophobicContact CB-CG 4.37Å; V634-R712 HydrophobicContact CG1-CG 4.09Å; V634-R712 VanDerWaalsContact CG1-NE 3.32Å; V634-R712 HydrophobicContact CG2-CB 4.4Å; V634-R712 HydrophobicContact CG2-CG 4.18Å; V634-R712 PolarHBondContact O-NH1 3.31Å |
| 635 | C | 94.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 162.5 | 170.3 | -62.5 | 0 | 0 | 0 | 0 | 110.2 | E640 V641 V681 | C635-E640 HydrophobicContact CB-CB 4.26Å; C635-E640 HydrophobicContact CB-CG 4.01Å; C635-E640 WeakPolarHBondContact CB-OE2 3.27Å; C635-V641 HydrophobicContact CB-CG2 3.57Å; C635-V681 PolarHBondContact N-O 3.16Å |
| 636 | S | 89.3 | Confident | 85.6 | Confident | 48 Ų | 48 | 48.9 Ų | 48.9 | 34% | 0.336 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -71 | -33.5 | 178.2 | 64.6 | 0 | 0 | 0 | 0 | 113.4 | E640 | S636-E640 WeakPolarHBondContact CB-OE2 3.38Å; S636-E640 PolarHBondContact N-OE2 3Å; S636-E640 PolarHBondContact OG-OE2 2.85Å |
| 637 | N | 90.4 | Very high | 87.2 | Confident | 65 Ų | 65 | 50.5 Ų | 50.5 | 35% | 0.348 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -155 | 168.4 | -174.6 | 69 | 78.8 | 0 | 0 | 0 | 112.8 | T639 E640 V641 T682 | N637-T639 WeakPolarHBondContact OD1-CA 3.42Å; N637-T639 VanDerWaalsContact OD1-CB 3.25Å; N637-T639 WeakPolarHBondContact OD1-CB 3.44Å; N637-T639 PolarHBondContact OD1-N 3.18Å; N637-E640 PolarHBondContact O-N 3.35Å; N637-E640 PolarHBondContact OD1-N 3.07Å; N637-V641 PolarHBondContact O-N 3.38Å; N637-T682 VanDerWaalsContact C-CG2 3.43Å |
| 638 | S | 92.4 | Very high | 88.9 | Confident | 58 Ų | 58 | 47.5 Ų | 47.5 | 41% | 0.406 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -69.4 | -30 | -176.6 | 51.2 | 0 | 0 | 0 | 0 | 114.3 | V641 L642 | S638-V641 WeakPolarHBondContact O-CB 3.32Å; S638-V641 PolarHBondContact O-N 3.11Å; S638-L642 WeakPolarHBondContact O-CG 3.41Å; S638-L642 PolarHBondContact O-N 3.09Å |
| 639 | T | 93.3 | Very high | 90.2 | Very high | 87 Ų | 87 | 46.4 Ų | 46.4 | 53% | 0.534 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.4 | -43.6 | 175.4 | -52.5 | 0 | 0 | 0 | 0 | 110.9 | N637 V641 L642 L643 | N637-T639 WeakPolarHBondContact OD1-CA 3.42Å; N637-T639 VanDerWaalsContact OD1-CB 3.25Å; N637-T639 WeakPolarHBondContact OD1-CB 3.44Å; N637-T639 PolarHBondContact OD1-N 3.18Å; T639-V641 VanDerWaalsContact C-N 3.34Å; T639-V641 PolarHBondContact O-N 3.41Å; T639-L642 PolarHBondContact O-N 2.98Å; T639-L643 HydrophobicContact CG2-CD1 4.25Å; T639-L643 WeakPolarHBondContact O-CG 3.22Å; T639-L643 PolarHBondContact O-N 2.9Å |
| 640 | E | 93.1 | Very high | 90.9 | Very high | 29 Ų | 29 | 47.8 Ų | 47.8 | 14% | 0.136 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.3 | -43.4 | 173.5 | -175.1 | 175.3 | -139.5 | 0 | 0 | 111.3 | C635 S636 N637 L642 L643 L644 Y700 S701 | C635-E640 HydrophobicContact CB-CB 4.26Å; C635-E640 HydrophobicContact CB-CG 4.01Å; C635-E640 WeakPolarHBondContact CB-OE2 3.27Å; S636-E640 WeakPolarHBondContact CB-OE2 3.38Å; S636-E640 PolarHBondContact N-OE2 3Å; S636-E640 PolarHBondContact OG-OE2 2.85Å; N637-E640 PolarHBondContact O-N 3.35Å; N637-E640 PolarHBondContact OD1-N 3.07Å; E640-L642 PolarHBondContact O-N 2.87Å; E640-L643 PolarHBondContact O-N 3.47Å; E640-L644 WeakPolarHBondContact O-CB 3.15Å; E640-L644 PolarHBondContact O-N 2.95Å; E640-Y700 HydrophobicContact CG-CD1 4.3Å; E640-Y700 WeakPolarHBondContact OE1-CD1 3.36Å; E640-S701 VanDerWaalsContact OE1-CB 3.25Å; E640-S701 WeakPolarHBondContact OE1-CB 3.37Å; E640-S701 PolarHBondContact OE1-OG 3.27Å |
| 641 | V | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.5 | -43.9 | 173.6 | 170.2 | 0 | 0 | 0 | 0 | 112.2 | C635 N637 S638 T639 R645 I657 V659 L680 T682 | C635-V641 HydrophobicContact CB-CG2 3.57Å; N637-V641 PolarHBondContact O-N 3.38Å; S638-V641 WeakPolarHBondContact O-CB 3.32Å; S638-V641 PolarHBondContact O-N 3.11Å; T639-V641 VanDerWaalsContact C-N 3.34Å; T639-V641 PolarHBondContact O-N 3.41Å; V641-R645 WeakPolarHBondContact O-CB 3.38Å; V641-R645 PolarHBondContact O-N 2.88Å; V641-I657 HydrophobicContact CG1-CB 4.46Å; V641-I657 HydrophobicContact CG1-CD1 3.87Å; V641-I657 HydrophobicContact CG1-CG1 3.92Å; V641-I657 HydrophobicContact CG1-CG2 3.83Å; V641-V659 HydrophobicContact CB-CG1 4.09Å; V641-V659 HydrophobicContact CG1-CG1 3.83Å; V641-V659 HydrophobicContact CG2-CG1 4.1Å; V641-L680 HydrophobicContact CG1-CB 3.76Å; V641-L680 HydrophobicContact CG1-CD1 4.25Å; V641-L680 HydrophobicContact CG2-CB 4.48Å; V641-T682 HydrophobicContact CG2-CG2 4.17Å |
| 642 | L | 92.4 | Very high | 90.5 | Very high | 96 Ų | 96 | 52.6 Ų | 52.6 | 50% | 0.503 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -70.6 | -39.1 | -179 | -72.1 | 172.8 | 0 | 0 | 0 | 113 | S638 T639 E640 R646 I657 | S638-L642 WeakPolarHBondContact O-CG 3.41Å; S638-L642 PolarHBondContact O-N 3.09Å; T639-L642 PolarHBondContact O-N 2.98Å; E640-L642 PolarHBondContact O-N 2.87Å; L642-R646 WeakPolarHBondContact O-CG 3.24Å; L642-R646 PolarHBondContact O-N 3.27Å; L642-I657 HydrophobicContact CD2-CD1 4.26Å |
| 643 | L | 92 | Very high | 89.8 | Confident | 99 Ų | 99 | 54 Ų | 54 | 52% | 0.518 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.6 | -48.5 | 174.4 | -69.9 | 172.7 | 0 | 0 | 0 | 110.7 | T639 E640 R645 R646 S647 | T639-L643 HydrophobicContact CG2-CD1 4.25Å; T639-L643 WeakPolarHBondContact O-CG 3.22Å; T639-L643 PolarHBondContact O-N 2.9Å; E640-L643 PolarHBondContact O-N 3.47Å; L643-R645 VanDerWaalsContact C-N 3.33Å; L643-R645 PolarHBondContact O-N 3.41Å; L643-R646 WeakPolarHBondContact O-CB 3.31Å; L643-R646 PolarHBondContact O-N 3.44Å; L643-R646 VanDerWaalsContact O-N 3.08Å; L643-S647 PolarHBondContact O-N 2.72Å; L643-S647 VanDerWaalsContact O-N 3.11Å; L643-S647 PolarHBondContact O-OG 2.99Å |
| 644 | L | 92.1 | Very high | 89.1 | Confident | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.9 | -36.6 | -179.2 | -174 | 53.4 | 0 | 0 | 0 | 112.2 | I613 L616 M633 E640 R646 S647 L648 L680 Y700 | I613-L644 HydrophobicContact CD1-CD1 3.49Å; I613-L644 VanDerWaalsContact CD1-CD1 3.49Å; L616-L644 HydrophobicContact CD2-CD1 4.44Å; M633-L644 HydrophobicContact SD-CD2 3.42Å; M633-L644 WeakPolarHBondContact SD-CD2 3.4Å; M633-L644 HydrophobicContact SD-CG 4.44Å; E640-L644 WeakPolarHBondContact O-CB 3.15Å; E640-L644 PolarHBondContact O-N 2.95Å; L644-R646 VanDerWaalsContact C-N 3.3Å; L644-R646 PolarHBondContact O-N 3.47Å; L644-S647 PolarHBondContact O-N 2.75Å; L644-L648 HydrophobicContact CD1-CD1 4.4Å; L644-L648 HydrophobicContact CD1-CG 4.23Å; L644-L648 HydrophobicContact CG-CD1 4.06Å; L644-L648 HydrophobicContact CG-CG 4.39Å; L644-L648 WeakPolarHBondContact O-CB 3.33Å; L644-L648 VanDerWaalsContact O-CG 3.25Å; L644-L648 WeakPolarHBondContact O-CG 3.42Å; L644-L648 PolarHBondContact O-N 3.4Å; L644-L680 HydrophobicContact CD2-CD2 4.49Å; L644-Y700 HydrophobicContact CD1-CD2 4.32Å; L644-Y700 HydrophobicContact CD1-CE2 3.74Å; L644-Y700 HydrophobicContact CD2-CD1 4Å; L644-Y700 HydrophobicContact CD2-CD2 3.52Å; L644-Y700 HydrophobicContact CD2-CE1 4.23Å; L644-Y700 HydrophobicContact CD2-CE2 3.76Å; L644-Y700 HydrophobicContact CD2-CG 3.66Å; L644-Y700 HydrophobicContact CG-CE2 4.43Å |
| 645 | R | 91 | Very high | 88.7 | Confident | 88 Ų | 88 | 60.3 Ų | 60.3 | 33% | 0.332 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.5 | -41.8 | 172.5 | -164.4 | -139.8 | -178.5 | 112.3 | 5.1 | 112 | V641 L643 L648 Q649 I657 L680 | V641-R645 WeakPolarHBondContact O-CB 3.38Å; V641-R645 PolarHBondContact O-N 2.88Å; L643-R645 VanDerWaalsContact C-N 3.33Å; L643-R645 PolarHBondContact O-N 3.41Å; R645-L648 PolarHBondContact O-N 3.17Å; R645-Q649 WeakPolarHBondContact O-CB 3.37Å; R645-Q649 VanDerWaalsContact O-CG 3.25Å; R645-Q649 WeakPolarHBondContact O-CG 3.41Å; R645-Q649 PolarHBondContact O-N 3.15Å; R645-Q649 PolarHBondContact O-OE1 3.49Å; R645-I657 HydrophobicContact CB-CD1 4.02Å; R645-I657 HydrophobicContact CG-CD1 3.93Å; R645-I657 HydrophobicContact CG-CG1 4.47Å; R645-L680 HydrophobicContact CB-CD1 3.93Å; R645-L680 HydrophobicContact CG-CD1 4.42Å |
| 646 | R | 90.7 | Very high | 88.4 | Confident | 170 Ų | 170 | 61.6 Ų | 61.6 | 64% | 0.642 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -65.8 | -45.9 | 177.6 | -65.3 | 171.4 | -177.3 | 175.9 | 0.9 | 111.3 | L642 L643 L644 L648 Q649 A650 | L642-R646 WeakPolarHBondContact O-CG 3.24Å; L642-R646 PolarHBondContact O-N 3.27Å; L643-R646 WeakPolarHBondContact O-CB 3.31Å; L643-R646 PolarHBondContact O-N 3.44Å; L643-R646 VanDerWaalsContact O-N 3.08Å; L644-R646 VanDerWaalsContact C-N 3.3Å; L644-R646 PolarHBondContact O-N 3.47Å; R646-L648 VanDerWaalsContact C-N 3.32Å; R646-L648 PolarHBondContact O-N 2.65Å; R646-Q649 PolarHBondContact O-N 2.97Å; R646-A650 WeakPolarHBondContact O-CB 3.45Å; R646-A650 PolarHBondContact O-N 2.83Å |
| 647 | S | 89 | Confident | 88.5 | Confident | 53 Ų | 53 | 60.2 Ų | 60.2 | 37% | 0.371 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 176.4 | -57 | 0 | 0 | 0 | 0 | 112.1 | L643 L644 A650 I651 | L643-S647 PolarHBondContact O-N 2.72Å; L643-S647 VanDerWaalsContact O-N 3.11Å; L643-S647 PolarHBondContact O-OG 2.99Å; L644-S647 PolarHBondContact O-N 2.75Å; S647-A650 PolarHBondContact O-N 2.88Å; S647-I651 PolarHBondContact O-N 3.27Å |
| 648 | L | 86.8 | Confident | 88.6 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.3 | -44.2 | 176.2 | -73 | 171.5 | 0 | 0 | 0 | 112.6 | L616 L644 R645 R646 A650 I651 G652 V653 A655 L678 L680 | L616-L648 HydrophobicContact CD2-CD2 3.86Å; L644-L648 HydrophobicContact CD1-CD1 4.4Å; L644-L648 HydrophobicContact CD1-CG 4.23Å; L644-L648 HydrophobicContact CG-CD1 4.06Å; L644-L648 HydrophobicContact CG-CG 4.39Å; L644-L648 WeakPolarHBondContact O-CB 3.33Å; L644-L648 VanDerWaalsContact O-CG 3.25Å; L644-L648 WeakPolarHBondContact O-CG 3.42Å; L644-L648 PolarHBondContact O-N 3.4Å; R645-L648 PolarHBondContact O-N 3.17Å; R646-L648 VanDerWaalsContact C-N 3.32Å; R646-L648 PolarHBondContact O-N 2.65Å; L648-A650 VanDerWaalsContact C-N 3.31Å; L648-A650 PolarHBondContact O-N 2.68Å; L648-I651 HydrophobicContact CD2-CD1 4.28Å; L648-I651 CarbonylContact O-C 3.4Å; L648-I651 WeakPolarHBondContact O-CG1 3.38Å; L648-I651 PolarHBondContact O-N 3.16Å; L648-I651 VanDerWaalsContact O-N 3.11Å; L648-G652 PolarHBondContact O-N 2.86Å; L648-V653 CarbonylContact C-O 3.53Å; L648-V653 HydrophobicContact CB-CB 4.17Å; L648-V653 HydrophobicContact CB-CG1 4.46Å; L648-V653 HydrophobicContact CD2-CB 4.03Å; L648-V653 HydrophobicContact CD2-CG1 4Å; L648-V653 PolarHBondContact O-N 3.13Å; L648-A655 HydrophobicContact CD1-CB 4.05Å; L648-L678 HydrophobicContact CD1-CD2 3.68Å; L648-L680 HydrophobicContact CD1-CD1 4.17Å; L648-L680 HydrophobicContact CD1-CD2 4.06Å |
| 649 | Q | 87.1 | Confident | 88.5 | Confident | 91 Ų | 91 | 56.2 Ų | 56.2 | 43% | 0.425 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 176.3 | -74.5 | 175.4 | -56.2 | 0 | 0 | 112 | R645 R646 I651 G652 | R645-Q649 WeakPolarHBondContact O-CB 3.37Å; R645-Q649 VanDerWaalsContact O-CG 3.25Å; R645-Q649 WeakPolarHBondContact O-CG 3.41Å; R645-Q649 PolarHBondContact O-N 3.15Å; R645-Q649 PolarHBondContact O-OE1 3.49Å; R646-Q649 PolarHBondContact O-N 2.97Å; Q649-I651 PolarHBondContact O-N 3.26Å; Q649-G652 PolarHBondContact O-N 3.29Å; Q649-G652 VanDerWaalsContact O-N 3.13Å |
| 650 | A | 86.8 | Confident | 88.3 | Confident | 89 Ų | 89 | 54.6 Ų | 54.6 | 74% | 0.736 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.5 | -19.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R646 S647 L648 | R646-A650 WeakPolarHBondContact O-CB 3.45Å; R646-A650 PolarHBondContact O-N 2.83Å; S647-A650 PolarHBondContact O-N 2.88Å; L648-A650 VanDerWaalsContact C-N 3.31Å; L648-A650 PolarHBondContact O-N 2.68Å |
| 651 | I | 80.2 | Confident | 87.8 | Confident | 59 Ų | 59 | 57.7 Ų | 57.7 | 30% | 0.303 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 15.3 | 175.8 | 67.4 | 166.2 | 0 | 0 | 0 | 112.9 | I613 K617 S647 L648 Q649 V653 | I613-I651 HydrophobicContact CG2-CD1 4.37Å; K617-I651 HydrophobicContact CD-CD1 4.26Å; K617-I651 HydrophobicContact CG-CD1 3.6Å; S647-I651 PolarHBondContact O-N 3.27Å; L648-I651 HydrophobicContact CD2-CD1 4.28Å; L648-I651 CarbonylContact O-C 3.4Å; L648-I651 WeakPolarHBondContact O-CG1 3.38Å; L648-I651 PolarHBondContact O-N 3.16Å; L648-I651 VanDerWaalsContact O-N 3.11Å; Q649-I651 PolarHBondContact O-N 3.26Å; I651-V653 HydrophobicContact CD1-CG2 4.16Å; I651-V653 HydrophobicContact CG1-CB 4.47Å; I651-V653 HydrophobicContact CG1-CG2 4.09Å; I651-V653 PolarHBondContact O-N 3Å |
| 652 | G | 80.1 | Confident | 87.3 | Confident | 66 Ų | 66 | 61.9 Ų | 61.9 | 68% | 0.68 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | 7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | L648 Q649 | L648-G652 PolarHBondContact O-N 2.86Å; Q649-G652 PolarHBondContact O-N 3.29Å; Q649-G652 VanDerWaalsContact O-N 3.13Å |
| 653 | V | 80.1 | Confident | 86.9 | Confident | 31 Ų | 31 | 58.5 Ų | 58.5 | 19% | 0.188 | 34% | 0.339 | C | S | . | . | trans | -91.5 | 112.8 | -179.8 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | I620 L648 I651 | I620-V653 HydrophobicContact CD1-CG1 4.32Å; I620-V653 HydrophobicContact CD1-CG2 4.21Å; L648-V653 CarbonylContact C-O 3.53Å; L648-V653 HydrophobicContact CB-CB 4.17Å; L648-V653 HydrophobicContact CB-CG1 4.46Å; L648-V653 HydrophobicContact CD2-CB 4.03Å; L648-V653 HydrophobicContact CD2-CG1 4Å; L648-V653 PolarHBondContact O-N 3.13Å; I651-V653 HydrophobicContact CD1-CG2 4.16Å; I651-V653 HydrophobicContact CG1-CB 4.47Å; I651-V653 HydrophobicContact CG1-CG2 4.09Å; I651-V653 PolarHBondContact O-N 3Å | ||
| 654 | N | 79.5 | Confident | 86.6 | Confident | 125 Ų | 125 | 56.8 Ų | 56.8 | 67% | 0.668 | 33% | 0.325 | S | S | * | . | trans | -76.1 | 127.8 | 173.5 | -79.3 | -40.8 | 0 | 0 | 0 | 111.3 | ||||
| 655 | A | 86.3 | Confident | 86.2 | Confident | 6 Ų | 6 | 60 Ų | 60 | 5% | 0.05 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 130.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | L648 L678 L680 | L648-A655 HydrophobicContact CD1-CB 4.05Å; A655-L678 CarbonylContact C-O 3.21Å; A655-L678 VanDerWaalsContact CA-O 3.31Å; A655-L678 WeakPolarHBondContact CA-O 3.42Å; A655-L678 HydrophobicContact CB-CB 4.31Å; A655-L680 HydrophobicContact CB-CD1 3.99Å; A655-L680 HydrophobicContact CB-CG 4.01Å |
| 656 | H | 88.9 | Confident | 85.8 | Confident | 28 Ų | 28 | 58.1 Ų | 58.1 | 13% | 0.13 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 159.2 | 170.4 | -67.4 | -106.7 | 0 | 0 | 0 | 109.8 | W670 L678 L679 L680 | H656-W670 HydrophobicContact CB-CB 4.07Å; H656-W670 HydrophobicContact CB-CG 4.38Å; H656-W670 AromaticContact CD2-CD1 3.73Å; H656-L678 PolarHBondContact N-O 2.91Å; H656-L679 HydrophobicContact CB-CD1 3.83Å; H656-L680 PolarHBondContact O-N 3.22Å |
| 657 | I | 91.9 | Very high | 85.5 | Confident | 18 Ų | 18 | 50.4 Ų | 50.4 | 9% | 0.092 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 134.5 | -176.6 | -68.2 | -177.7 | 0 | 0 | 0 | 110.7 | V641 L642 R645 V659 N666 L680 | V641-I657 HydrophobicContact CG1-CB 4.46Å; V641-I657 HydrophobicContact CG1-CD1 3.87Å; V641-I657 HydrophobicContact CG1-CG1 3.92Å; V641-I657 HydrophobicContact CG1-CG2 3.83Å; L642-I657 HydrophobicContact CD2-CD1 4.26Å; R645-I657 HydrophobicContact CB-CD1 4.02Å; R645-I657 HydrophobicContact CG-CD1 3.93Å; R645-I657 HydrophobicContact CG-CG1 4.47Å; I657-V659 HydrophobicContact CG2-CG1 3.79Å; I657-V659 HydrophobicContact CG2-CG2 4.46Å; I657-N666 WeakPolarHBondContact O-CB 3.26Å; I657-N666 PolarHBondContact O-ND2 2.87Å; I657-L680 WeakPolarHBondContact CA-O 3.5Å; I657-L680 HydrophobicContact CG1-CB 4.38Å; I657-L680 HydrophobicContact CG1-CD1 4.42Å |
| 658 | C | 91.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 102 | 164.4 | -173.9 | 0 | 0 | 0 | 0 | 110.1 | C663 V667 L679 L680 V681 V685 | C658-C663 HydrophobicContact CB-CB 4.24Å; C658-C663 PolarHBondContact SG-O 2.96Å; C658-V667 HydrophobicContact CB-CG2 3.94Å; C658-L679 HydrophobicContact CB-CD1 4.32Å; C658-L680 PolarHBondContact N-O 3.34Å; C658-V681 HydrophobicContact CB-CG1 4.16Å; C658-V681 VanDerWaalsContact O-CA 3.31Å; C658-V681 WeakPolarHBondContact O-CA 3.18Å; C658-V685 WeakPolarHBondContact O-CG2 3.19Å |
| 659 | V | 90.5 | Very high | 84.8 | Confident | 40 Ų | 40 | 53.7 Ų | 53.7 | 24% | 0.242 | 34% | 0.336 | C | S | . | . | trans | -111.9 | -6.1 | -179.4 | -62.3 | 0 | 0 | 0 | 0 | 114 | V641 I657 T682 | V641-V659 HydrophobicContact CB-CG1 4.09Å; V641-V659 HydrophobicContact CG1-CG1 3.83Å; V641-V659 HydrophobicContact CG2-CG1 4.1Å; I657-V659 HydrophobicContact CG2-CG1 3.79Å; I657-V659 HydrophobicContact CG2-CG2 4.46Å; V659-T682 HydrophobicContact CB-CG2 4.34Å; V659-T682 HydrophobicContact CG1-CG2 4.07Å | ||
| 660 | S | 89.3 | Confident | 84.7 | Confident | 52 Ų | 52 | 49.4 Ų | 49.4 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -153.2 | 167.5 | 177.3 | 70.9 | 0 | 0 | 0 | 0 | 110.6 | A662 C663 | S660-A662 PolarHBondContact O-N 2.98Å; S660-C663 WeakPolarHBondContact O-CB 3.42Å; S660-C663 PolarHBondContact O-N 2.9Å |
| 661 | E | 83.4 | Confident | 84.4 | Confident | 95 Ų | 95 | 48.8 Ų | 48.8 | 44% | 0.444 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -61.4 | -30.6 | -178.9 | -53.1 | -137 | 118.7 | 0 | 0 | 113.1 | C663 Y664 R688 | E661-C663 PolarHBondContact O-N 3.3Å; E661-C663 VanDerWaalsContact O-N 3.16Å; E661-Y664 VanDerWaalsContact CA-CE2 3.48Å; E661-Y664 HydrophobicContact CB-CD2 3.95Å; E661-Y664 HydrophobicContact CB-CE2 3.46Å; E661-Y664 VanDerWaalsContact CB-CE2 3.46Å; E661-Y664 HydrophobicContact CG-CE2 3.69Å; E661-Y664 WeakPolarHBondContact O-CB 3.4Å; E661-Y664 WeakPolarHBondContact O-CD2 3.45Å; E661-Y664 VanDerWaalsContact O-CG 3.32Å; E661-Y664 PolarHBondContact O-N 3.28Å; E661-Y664 VanDerWaalsContact O-N 3.08Å; E661-Y664 VanDerWaalsContact OE1-CE2 3.31Å; E661-Y664 WeakPolarHBondContact OE1-CE2 3.27Å; E661-Y664 PolarHBondContact OE1-OH 2.92Å; E661-R688 WeakPolarHBondContact OE1-CD 3.44Å; E661-R688 IonicContact OE1-CZ 2.63Å; E661-R688 IonicContact OE1-NE 2.83Å; E661-R688 IonicContact OE1-NH1 3.36Å; E661-R688 PolarHBondContact OE1-NH1 3.33Å; E661-R688 IonicContact OE2-CZ 3.92Å; E661-R688 IonicContact OE2-NH1 2.68Å; E661-R688 PolarHBondContact OE2-NH1 2.8Å |
| 662 | A | 83.8 | Confident | 84.1 | Confident | 87 Ų | 87 | 53.8 Ų | 53.8 | 72% | 0.719 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -61.9 | -20.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S660 | S660-A662 PolarHBondContact O-N 2.98Š|
| 663 | C | 84.7 | Confident | 83.4 | Confident | 26 Ų | 26 | 55.8 Ų | 55.8 | 18% | 0.176 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -93.8 | 8.6 | 176.8 | -57.2 | 0 | 0 | 0 | 0 | 113.8 | C658 S660 E661 S665 N666 | C658-C663 HydrophobicContact CB-CB 4.24Å; C658-C663 PolarHBondContact SG-O 2.96Å; S660-C663 WeakPolarHBondContact O-CB 3.42Å; S660-C663 PolarHBondContact O-N 2.9Å; E661-C663 PolarHBondContact O-N 3.3Å; E661-C663 VanDerWaalsContact O-N 3.16Å; C663-S665 PolarHBondContact O-N 2.88Å; C663-N666 VanDerWaalsContact O-CB 3.27Å; C663-N666 WeakPolarHBondContact O-CB 3.1Å; C663-N666 PolarHBondContact O-N 2.86Å; C663-N666 VanDerWaalsContact O-N 3.08Å |
| 664 | Y | 85.6 | Confident | 82.3 | Confident | 62 Ų | 62 | 55.8 Ų | 55.8 | 24% | 0.243 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.2 | -24.9 | 178 | -70.2 | -37.7 | 0 | 0 | 0 | 113.2 | E661 N666 V667 A668 V685 L689 | E661-Y664 VanDerWaalsContact CA-CE2 3.48Å; E661-Y664 HydrophobicContact CB-CD2 3.95Å; E661-Y664 HydrophobicContact CB-CE2 3.46Å; E661-Y664 VanDerWaalsContact CB-CE2 3.46Å; E661-Y664 HydrophobicContact CG-CE2 3.69Å; E661-Y664 WeakPolarHBondContact O-CB 3.4Å; E661-Y664 WeakPolarHBondContact O-CD2 3.45Å; E661-Y664 VanDerWaalsContact O-CG 3.32Å; E661-Y664 PolarHBondContact O-N 3.28Å; E661-Y664 VanDerWaalsContact O-N 3.08Å; E661-Y664 VanDerWaalsContact OE1-CE2 3.31Å; E661-Y664 WeakPolarHBondContact OE1-CE2 3.27Å; E661-Y664 PolarHBondContact OE1-OH 2.92Å; Y664-N666 VanDerWaalsContact C-N 3.26Å; Y664-N666 PolarHBondContact O-N 2.88Å; Y664-V667 WeakPolarHBondContact O-CB 3.44Å; Y664-V667 PolarHBondContact O-N 3.1Å; Y664-V667 VanDerWaalsContact O-N 3.14Å; Y664-A668 PolarHBondContact O-N 3.46Å; Y664-V685 HydrophobicContact CE1-CB 4.06Å; Y664-V685 HydrophobicContact CE1-CG1 4.19Å; Y664-L689 HydrophobicContact CD1-CD1 4.07Å; Y664-L689 HydrophobicContact CE1-CD1 4.03Å |
| 665 | S | 82.5 | Confident | 81.1 | Confident | 75 Ų | 75 | 53 Ų | 53 | 52% | 0.524 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -54.5 | -41.5 | 168.7 | 45.6 | 0 | 0 | 0 | 0 | 112.4 | C663 V667 A668 E669 | C663-S665 PolarHBondContact O-N 2.88Å; S665-V667 PolarHBondContact O-N 2.85Å; S665-A668 CarbonylContact O-C 3.52Å; S665-A668 PolarHBondContact O-N 2.67Å; S665-A668 VanDerWaalsContact O-N 3.11Å; S665-E669 PolarHBondContact O-N 2.81Å |
| 666 | N | 83 | Confident | 79.7 | Confident | 48 Ų | 48 | 55.4 Ų | 55.4 | 26% | 0.257 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.5 | -25 | 179.8 | -54.1 | -1.2 | 0 | 0 | 0 | 112.2 | I657 C663 Y664 E669 W670 | I657-N666 WeakPolarHBondContact O-CB 3.26Å; I657-N666 PolarHBondContact O-ND2 2.87Å; C663-N666 VanDerWaalsContact O-CB 3.27Å; C663-N666 WeakPolarHBondContact O-CB 3.1Å; C663-N666 PolarHBondContact O-N 2.86Å; C663-N666 VanDerWaalsContact O-N 3.08Å; Y664-N666 VanDerWaalsContact C-N 3.26Å; Y664-N666 PolarHBondContact O-N 2.88Å; N666-E669 PolarHBondContact O-N 2.88Å; N666-W670 VanDerWaalsContact O-CB 3.28Å; N666-W670 WeakPolarHBondContact O-CB 3.31Å; N666-W670 PolarHBondContact O-N 2.73Å |
| 667 | V | 85.5 | Confident | 78.9 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -74.7 | -43.2 | 176.6 | -170.4 | 0 | 0 | 0 | 0 | 110.2 | C658 Y664 S665 E669 W670 L671 L679 L689 | C658-V667 HydrophobicContact CB-CG2 3.94Å; Y664-V667 WeakPolarHBondContact O-CB 3.44Å; Y664-V667 PolarHBondContact O-N 3.1Å; Y664-V667 VanDerWaalsContact O-N 3.14Å; S665-V667 PolarHBondContact O-N 2.85Å; V667-E669 PolarHBondContact O-N 3.49Å; V667-W670 HydrophobicContact CG1-CE3 4Å; V667-W670 HydrophobicContact CG1-CZ3 4.28Å; V667-W670 PolarHBondContact O-N 3.05Å; V667-L671 HydrophobicContact CG1-CD1 4.35Å; V667-L671 WeakPolarHBondContact O-CB 3.24Å; V667-L671 VanDerWaalsContact O-CG 3.29Å; V667-L671 WeakPolarHBondContact O-CG 3.28Å; V667-L671 PolarHBondContact O-N 3.16Å; V667-L679 HydrophobicContact CG1-CD2 4.32Å; V667-L679 HydrophobicContact CG2-CD2 4.36Å; V667-L689 HydrophobicContact CG1-CD1 4.5Å; V667-L689 HydrophobicContact CG2-CD1 3.72Å |
| 668 | A | 80.8 | Confident | 78.6 | Confident | 58 Ų | 58 | 53.6 Ų | 53.6 | 48% | 0.479 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -73.2 | -7.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y664 S665 R672 | Y664-A668 PolarHBondContact O-N 3.46Å; S665-A668 CarbonylContact O-C 3.52Å; S665-A668 PolarHBondContact O-N 2.67Å; S665-A668 VanDerWaalsContact O-N 3.11Å; A668-R672 WeakPolarHBondContact O-CB 3.47Å; A668-R672 PolarHBondContact O-NE 3.31Å; A668-R672 PolarHBondContact O-NH2 3.38Å |
| 669 | E | 79.9 | Confident | 78.6 | Confident | 65 Ų | 65 | 53.6 Ų | 53.6 | 30% | 0.304 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -91.4 | -50.4 | 168.9 | -177.1 | 166.4 | -123 | 0 | 0 | 111.7 | S665 N666 V667 L671 R672 Q673 | S665-E669 PolarHBondContact O-N 2.81Å; N666-E669 PolarHBondContact O-N 2.88Å; V667-E669 PolarHBondContact O-N 3.49Å; E669-L671 VanDerWaalsContact C-N 3.35Å; E669-L671 PolarHBondContact O-N 2.62Å; E669-R672 WeakPolarHBondContact O-CA 3.43Å; E669-R672 WeakPolarHBondContact O-CB 3.33Å; E669-R672 PolarHBondContact O-N 3.39Å; E669-Q673 HydrophobicContact CG-CG 4.13Å; E669-Q673 PolarHBondContact O-N 2.91Å; E669-Q673 PolarHBondContact OE1-NE2 2.99Å |
| 670 | W | 85.3 | Confident | 78.8 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -48.8 | -52.7 | 171.9 | 167.2 | 60 | 0 | 0 | 0 | 112 | P630 V632 H656 N666 V667 R672 S674 G677 L679 C691 I694 | P630-W670 HydrophobicContact CB-CH2 3.98Å; P630-W670 HydrophobicContact CB-CZ2 3.54Å; V632-W670 HydrophobicContact CG2-CH2 3.66Å; V632-W670 HydrophobicContact CG2-CZ2 4.22Å; V632-W670 HydrophobicContact CG2-CZ3 4.48Å; H656-W670 HydrophobicContact CB-CB 4.07Å; H656-W670 HydrophobicContact CB-CG 4.38Å; H656-W670 AromaticContact CD2-CD1 3.73Å; N666-W670 VanDerWaalsContact O-CB 3.28Å; N666-W670 WeakPolarHBondContact O-CB 3.31Å; N666-W670 PolarHBondContact O-N 2.73Å; V667-W670 HydrophobicContact CG1-CE3 4Å; V667-W670 HydrophobicContact CG1-CZ3 4.28Å; V667-W670 PolarHBondContact O-N 3.05Å; W670-R672 PolarHBondContact O-N 2.76Å; W670-S674 CarbonylContact O-C 3.57Å; W670-S674 PolarHBondContact O-N 3.31Å; W670-G677 VanDerWaalsContact NE1-C 3.34Å; W670-G677 PolarHBondContact NE1-O 3.37Å; W670-L679 HydrophobicContact CD2-CB 3.87Å; W670-L679 HydrophobicContact CD2-CD1 4.42Å; W670-L679 HydrophobicContact CD2-CD2 4.29Å; W670-L679 HydrophobicContact CD2-CG 4.41Å; W670-L679 HydrophobicContact CE3-CB 4.19Å; W670-L679 HydrophobicContact CE3-CD2 3.78Å; W670-L679 HydrophobicContact CE3-CG 4.39Å; W670-L679 HydrophobicContact CG-CB 4.39Å; W670-L679 HydrophobicContact CG-CD1 4.46Å; W670-L679 HydrophobicContact CH2-CB 4.17Å; W670-L679 HydrophobicContact CH2-CD2 4.25Å; W670-L679 HydrophobicContact CZ2-CB 3.82Å; W670-L679 HydrophobicContact CZ3-CB 4.35Å; W670-L679 HydrophobicContact CZ3-CD2 3.78Å; W670-C691 HydrophobicContact CH2-CB 4.14Å; W670-C691 HydrophobicContact CZ3-CB 3.87Å; W670-I694 HydrophobicContact CH2-CG2 4.25Å |
| 671 | L | 79.6 | Confident | 79.1 | Confident | 77 Ų | 77 | 49.2 Ų | 49.2 | 40% | 0.403 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.4 | -13.9 | 177.9 | -69.9 | 172.5 | 0 | 0 | 0 | 114.9 | V667 E669 C691 | V667-L671 HydrophobicContact CG1-CD1 4.35Å; V667-L671 WeakPolarHBondContact O-CB 3.24Å; V667-L671 VanDerWaalsContact O-CG 3.29Å; V667-L671 WeakPolarHBondContact O-CG 3.28Å; V667-L671 PolarHBondContact O-N 3.16Å; E669-L671 VanDerWaalsContact C-N 3.35Å; E669-L671 PolarHBondContact O-N 2.62Å; L671-C691 WeakPolarHBondContact CD2-O 3.21Å |
| 672 | R | 74.8 | Confident | 79.6 | Confident | 163 Ų | 163 | 44.8 Ų | 44.8 | 62% | 0.615 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -109.2 | -39.7 | -173.3 | -165.4 | -152.8 | -38.4 | 135.8 | 13.8 | 112.8 | A668 E669 W670 | A668-R672 WeakPolarHBondContact O-CB 3.47Å; A668-R672 PolarHBondContact O-NE 3.31Å; A668-R672 PolarHBondContact O-NH2 3.38Å; E669-R672 WeakPolarHBondContact O-CA 3.43Å; E669-R672 WeakPolarHBondContact O-CB 3.33Å; E669-R672 PolarHBondContact O-N 3.39Å; W670-R672 PolarHBondContact O-N 2.76Å |
| 673 | Q | 64.5 | Low | 80.1 | Confident | 109 Ų | 109 | 41 Ų | 41 | 51% | 0.509 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -92.6 | -35.8 | -177.8 | -71.3 | 172.7 | -4.5 | 0 | 0 | 112.2 | E669 | E669-Q673 HydrophobicContact CG-CG 4.13Å; E669-Q673 PolarHBondContact O-N 2.91Å; E669-Q673 PolarHBondContact OE1-NE2 2.99Å |
| 674 | S | 57.4 | Low | 80.4 | Confident | 31 Ų | 31 | 44.4 Ų | 44.4 | 22% | 0.217 | 24% | 0.241 | C | C | . | . | trans | -141.7 | 76.2 | -168.3 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | W670 S676 G677 | W670-S674 CarbonylContact O-C 3.57Å; W670-S674 PolarHBondContact O-N 3.31Å; S674-S676 PolarHBondContact O-N 3.28Å; S674-S676 VanDerWaalsContact O-N 3.09Å; S674-G677 PolarHBondContact O-N 2.98Å | ||
| 675 | P | 54.4 | Low | 80.7 | Confident | 66 Ų | 66 | 41.5 Ų | 41.5 | 43% | 0.429 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -25.1 | 162.4 | -22.3 | 33.9 | 0 | 0 | 0 | 112.3 | E629 P630 G677 | E629-P675 CarbonylContact C-O 3.24Å; E629-P675 VanDerWaalsContact C-O 3.24Å; P630-P675 WeakPolarHBondContact CA-O 3.38Å; P630-P675 VanDerWaalsContact N-O 3.11Å; P675-G677 VanDerWaalsContact C-N 3.29Å; P675-G677 PolarHBondContact O-N 3.43Å |
| 676 | S | 56.8 | Low | 81.1 | Confident | 57 Ų | 57 | 38 Ų | 38 | 40% | 0.399 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -10.8 | 171.5 | -33.9 | 0 | 0 | 0 | 0 | 116.3 | F626 A627 S674 | F626-S676 WeakPolarHBondContact O-CA 3.43Å; A627-S676 WeakPolarHBondContact O-CA 3.41Å; A627-S676 WeakPolarHBondContact O-CB 3.46Å; A627-S676 PolarHBondContact O-OG 2.88Å; S674-S676 PolarHBondContact O-N 3.28Å; S674-S676 VanDerWaalsContact O-N 3.09Å |
| 677 | G | 71.4 | Confident | 81.3 | Confident | 6 Ų | 6 | 39.5 Ų | 39.5 | 6% | 0.062 | 22% | 0.218 | C | C | . | . | trans | -90.6 | 150.2 | -159.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A631 W670 S674 P675 | A631-G677 PolarHBondContact N-O 3.23Å; W670-G677 VanDerWaalsContact NE1-C 3.34Å; W670-G677 PolarHBondContact NE1-O 3.37Å; S674-G677 PolarHBondContact O-N 2.98Å; P675-G677 VanDerWaalsContact C-N 3.29Å; P675-G677 PolarHBondContact O-N 3.43Å | ||
| 678 | L | 86.1 | Confident | 81.3 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 131.7 | 164.3 | -171.3 | 68.8 | 0 | 0 | 0 | 110.2 | A631 M633 L648 A655 H656 L680 I698 | A631-L678 HydrophobicContact CB-CD1 3.66Å; M633-L678 HydrophobicContact CB-CD1 4.06Å; M633-L678 HydrophobicContact CB-CG 4.43Å; M633-L678 HydrophobicContact CE-CD1 4.43Å; M633-L678 HydrophobicContact CE-CD2 3.97Å; M633-L678 HydrophobicContact SD-CD2 4.22Å; L648-L678 HydrophobicContact CD1-CD2 3.68Å; A655-L678 CarbonylContact C-O 3.21Å; A655-L678 VanDerWaalsContact CA-O 3.31Å; A655-L678 WeakPolarHBondContact CA-O 3.42Å; A655-L678 HydrophobicContact CB-CB 4.31Å; H656-L678 PolarHBondContact N-O 2.91Å; L678-L680 HydrophobicContact CD2-CD2 3.69Å; L678-L680 HydrophobicContact CG-CD2 4.07Å; L678-I698 HydrophobicContact CD1-CD1 4.44Å |
| 679 | L | 91.7 | Very high | 81.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 116 | 169.9 | -177.4 | 71.7 | 0 | 0 | 0 | 110.4 | A631 V632 M633 H656 C658 V667 W670 V681 L689 | A631-L679 PolarHBondContact O-N 3.27Å; V632-L679 HydrophobicContact CG2-CB 4.49Å; V632-L679 HydrophobicContact CG2-CD2 4.49Å; M633-L679 PolarHBondContact N-O 3.39Å; H656-L679 HydrophobicContact CB-CD1 3.83Å; C658-L679 HydrophobicContact CB-CD1 4.32Å; V667-L679 HydrophobicContact CG1-CD2 4.32Å; V667-L679 HydrophobicContact CG2-CD2 4.36Å; W670-L679 HydrophobicContact CD2-CB 3.87Å; W670-L679 HydrophobicContact CD2-CD1 4.42Å; W670-L679 HydrophobicContact CD2-CD2 4.29Å; W670-L679 HydrophobicContact CD2-CG 4.41Å; W670-L679 HydrophobicContact CE3-CB 4.19Å; W670-L679 HydrophobicContact CE3-CD2 3.78Å; W670-L679 HydrophobicContact CE3-CG 4.39Å; W670-L679 HydrophobicContact CG-CB 4.39Å; W670-L679 HydrophobicContact CG-CD1 4.46Å; W670-L679 HydrophobicContact CH2-CB 4.17Å; W670-L679 HydrophobicContact CH2-CD2 4.25Å; W670-L679 HydrophobicContact CZ2-CB 3.82Å; W670-L679 HydrophobicContact CZ3-CB 4.35Å; W670-L679 HydrophobicContact CZ3-CD2 3.78Å; L679-V681 HydrophobicContact CD2-CG1 3.79Å; L679-V681 HydrophobicContact CG-CG1 3.75Å; L679-L689 HydrophobicContact CD2-CD2 4.4Å |
| 680 | L | 94.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 127.3 | 173.3 | -52.4 | 178.8 | 0 | 0 | 0 | 110.3 | M633 V641 L644 R645 L648 A655 H656 I657 C658 L678 | M633-L680 HydrophobicContact CB-CD2 3.91Å; M633-L680 HydrophobicContact CG-CD2 4.14Å; M633-L680 HydrophobicContact SD-CD2 3.62Å; V641-L680 HydrophobicContact CG1-CB 3.76Å; V641-L680 HydrophobicContact CG1-CD1 4.25Å; V641-L680 HydrophobicContact CG2-CB 4.48Å; L644-L680 HydrophobicContact CD2-CD2 4.49Å; R645-L680 HydrophobicContact CB-CD1 3.93Å; R645-L680 HydrophobicContact CG-CD1 4.42Å; L648-L680 HydrophobicContact CD1-CD1 4.17Å; L648-L680 HydrophobicContact CD1-CD2 4.06Å; A655-L680 HydrophobicContact CB-CD1 3.99Å; A655-L680 HydrophobicContact CB-CG 4.01Å; H656-L680 PolarHBondContact O-N 3.22Å; I657-L680 WeakPolarHBondContact CA-O 3.5Å; I657-L680 HydrophobicContact CG1-CB 4.38Å; I657-L680 HydrophobicContact CG1-CD1 4.42Å; C658-L680 PolarHBondContact N-O 3.34Å; L678-L680 HydrophobicContact CD2-CD2 3.69Å; L678-L680 HydrophobicContact CG-CD2 4.07Å |
| 681 | V | 95.6 | Very high | 81.7 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 162.2 | -179.2 | -53.3 | 0 | 0 | 0 | 0 | 113.1 | V632 M633 V634 C635 C658 L679 V685 V686 L689 | V632-V681 HydrophobicContact CG1-CG1 4.39Å; V632-V681 HydrophobicContact CG1-CG2 3.9Å; M633-V681 PolarHBondContact O-N 3.04Å; V634-V681 WeakPolarHBondContact CA-O 3.43Å; V634-V681 HydrophobicContact CB-CG2 4.24Å; V634-V681 HydrophobicContact CG1-CG2 4.21Å; V634-V681 HydrophobicContact CG2-CG2 3.81Å; C635-V681 PolarHBondContact N-O 3.16Å; C658-V681 HydrophobicContact CB-CG1 4.16Å; C658-V681 VanDerWaalsContact O-CA 3.31Å; C658-V681 WeakPolarHBondContact O-CA 3.18Å; L679-V681 HydrophobicContact CD2-CG1 3.79Å; L679-V681 HydrophobicContact CG-CG1 3.75Å; V681-V685 HydrophobicContact CB-CG2 3.79Å; V681-V685 HydrophobicContact CG1-CG2 4.27Å; V681-V686 HydrophobicContact CG2-CG2 4.31Å; V681-L689 HydrophobicContact CG1-CD2 3.92Å |
| 682 | T | 94.8 | Very high | 81.8 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 163.5 | 166.8 | 55.2 | 0 | 0 | 0 | 0 | 111.4 | N637 V641 V659 D684 V685 | N637-T682 VanDerWaalsContact C-CG2 3.43Å; V641-T682 HydrophobicContact CG2-CG2 4.17Å; V659-T682 HydrophobicContact CB-CG2 4.34Å; V659-T682 HydrophobicContact CG1-CG2 4.07Å; T682-D684 PolarHBondContact O-N 2.93Å; T682-V685 WeakPolarHBondContact O-CG2 3.47Å; T682-V685 PolarHBondContact O-N 3.44Å |
| 683 | D | 93.2 | Very high | 82.3 | Confident | 7 Ų | 7 | 46.8 Ų | 46.8 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -14.4 | 174.1 | -79.8 | -68.2 | 0 | 0 | 0 | 114.5 | A703 R708 R712 | D683-A703 VanDerWaalsContact OD2-CB 3.22Å; D683-A703 WeakPolarHBondContact OD2-CB 3.49Å; D683-R708 PolarHBondContact O-NH2 3.48Å; D683-R712 VanDerWaalsContact OD1-CG 3.29Å; D683-R712 WeakPolarHBondContact OD1-CG 3.5Å; D683-R712 IonicContact OD1-CZ 3.21Å; D683-R712 IonicContact OD1-NE 3.41Å; D683-R712 PolarHBondContact OD1-NE 2.9Å; D683-R712 IonicContact OD1-NH2 2.76Å; D683-R712 IonicContact OD2-CZ 3.89Å; D683-R712 IonicContact OD2-NE 3.11Å; D683-R712 PolarHBondContact OD2-NE 2.86Å; D683-R712 IonicContact OD2-NH2 3.36Å; D683-R712 PolarHBondContact OD2-NH2 3.1Å |
| 684 | D | 91.3 | Very high | 83.4 | Confident | 97 Ų | 97 | 41.6 Ų | 41.6 | 52% | 0.519 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -33.8 | -175.3 | -56.2 | -65.2 | 0 | 0 | 0 | 113.4 | T682 P687 R708 | T682-D684 PolarHBondContact O-N 2.93Å; D684-P687 WeakPolarHBondContact O-CD 3.4Å; D684-R708 VanDerWaalsContact CA-NH2 3.27Å; D684-R708 IonicContact OD1-CZ 3.77Å; D684-R708 VanDerWaalsContact OD1-CZ 3.32Å; D684-R708 IonicContact OD1-NH1 3.47Å; D684-R708 PolarHBondContact OD1-NH1 3.44Å; D684-R708 IonicContact OD1-NH2 2.78Å; D684-R708 PolarHBondContact OD1-NH2 2.91Å |
| 685 | V | 92.1 | Very high | 84.8 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -27.5 | 177.5 | -67.8 | 0 | 0 | 0 | 0 | 112.9 | C658 Y664 V681 T682 P687 R688 L689 | C658-V685 WeakPolarHBondContact O-CG2 3.19Å; Y664-V685 HydrophobicContact CE1-CB 4.06Å; Y664-V685 HydrophobicContact CE1-CG1 4.19Å; V681-V685 HydrophobicContact CB-CG2 3.79Å; V681-V685 HydrophobicContact CG1-CG2 4.27Å; T682-V685 WeakPolarHBondContact O-CG2 3.47Å; T682-V685 PolarHBondContact O-N 3.44Å; V685-P687 VanDerWaalsContact O-N 3.16Å; V685-R688 PolarHBondContact O-N 3.29Å; V685-R688 VanDerWaalsContact O-N 3.14Å; V685-L689 HydrophobicContact CB-CD1 4.5Å; V685-L689 HydrophobicContact CG2-CD1 4.48Å; V685-L689 WeakPolarHBondContact O-CB 3.43Å; V685-L689 PolarHBondContact O-N 2.66Å; V685-L689 VanDerWaalsContact O-N 3.1Å |
| 686 | V | 91.6 | Very high | 86.5 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -44 | -47.2 | -177.3 | 168.3 | 0 | 0 | 0 | 0 | 114.3 | V634 V681 R688 L689 N711 | V634-V686 HydrophobicContact CG1-CG2 4.35Å; V634-V686 HydrophobicContact CG2-CG2 4.47Å; V681-V686 HydrophobicContact CG2-CG2 4.31Å; V686-R688 PolarHBondContact O-N 2.9Å; V686-L689 PolarHBondContact O-N 3.32Å; V686-N711 WeakPolarHBondContact CG1-O 3.41Å |
| 687 | P | 86.4 | Confident | 88.3 | Confident | 78 Ų | 78 | 36 Ų | 36 | 51% | 0.506 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -63.4 | -15.6 | -173.8 | -19.6 | 31.2 | 0 | 0 | 0 | 115.6 | D684 V685 | D684-P687 WeakPolarHBondContact O-CD 3.4Å; V685-P687 VanDerWaalsContact O-N 3.16Å |
| 688 | R | 85.2 | Confident | 89.4 | Confident | 163 Ų | 163 | 35.7 Ų | 35.7 | 62% | 0.615 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -126.7 | -2.7 | -178.4 | -58.1 | 175.4 | 84.6 | -165.2 | 9.8 | 112.8 | E661 V685 V686 | E661-R688 WeakPolarHBondContact OE1-CD 3.44Å; E661-R688 IonicContact OE1-CZ 2.63Å; E661-R688 IonicContact OE1-NE 2.83Å; E661-R688 IonicContact OE1-NH1 3.36Å; E661-R688 PolarHBondContact OE1-NH1 3.33Å; E661-R688 IonicContact OE2-CZ 3.92Å; E661-R688 IonicContact OE2-NH1 2.68Å; E661-R688 PolarHBondContact OE2-NH1 2.8Å; V685-R688 PolarHBondContact O-N 3.29Å; V685-R688 VanDerWaalsContact O-N 3.14Å; V686-R688 PolarHBondContact O-N 2.9Å |
| 689 | L | 87.7 | Confident | 89.9 | Confident | 17 Ų | 17 | 35.7 Ų | 35.7 | 9% | 0.089 | 18% | 0.18 | C | C | . | . | trans | -66.7 | 136.7 | -178.6 | -161.1 | 68.9 | 0 | 0 | 0 | 111.3 | Y664 V667 L679 V681 V685 V686 C691 L715 | Y664-L689 HydrophobicContact CD1-CD1 4.07Å; Y664-L689 HydrophobicContact CE1-CD1 4.03Å; V667-L689 HydrophobicContact CG1-CD1 4.5Å; V667-L689 HydrophobicContact CG2-CD1 3.72Å; L679-L689 HydrophobicContact CD2-CD2 4.4Å; V681-L689 HydrophobicContact CG1-CD2 3.92Å; V685-L689 HydrophobicContact CB-CD1 4.5Å; V685-L689 HydrophobicContact CG2-CD1 4.48Å; V685-L689 WeakPolarHBondContact O-CB 3.43Å; V685-L689 PolarHBondContact O-N 2.66Å; V685-L689 VanDerWaalsContact O-N 3.1Å; V686-L689 PolarHBondContact O-N 3.32Å; L689-C691 WeakPolarHBondContact CD2-SG 3.43Å; L689-L715 HydrophobicContact CB-CD2 4.06Å; L689-L715 HydrophobicContact CD2-CD2 3.92Å; L689-L715 HydrophobicContact CG-CD2 4.38Å | ||
| 690 | K | 84.6 | Confident | 90 | Very high | 181 Ų | 181 | 36 Ų | 36 | 79% | 0.787 | 18% | 0.182 | S | C | * | . | trans | -123.1 | 74.4 | -177.5 | -65.9 | -177.4 | -176.7 | 176.9 | 0 | 111.3 | G692 | K690-G692 VanDerWaalsContact C-N 3.25Å; K690-G692 PolarHBondContact O-N 3.19Å | ||
| 691 | C | 81.7 | Confident | 90 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.034 | 19% | 0.189 | C | C | . | . | trans | -74.9 | -1.4 | -178.1 | -63.9 | 0 | 0 | 0 | 0 | 115.5 | V632 W670 L671 L689 I694 | V632-C691 HydrophobicContact CG2-CB 4.31Å; W670-C691 HydrophobicContact CH2-CB 4.14Å; W670-C691 HydrophobicContact CZ3-CB 3.87Å; L671-C691 WeakPolarHBondContact CD2-O 3.21Å; L689-C691 WeakPolarHBondContact CD2-SG 3.43Å; C691-I694 HydrophobicContact CB-CG2 3.7Å | ||
| 692 | G | 83.4 | Confident | 89.8 | Confident | 40 Ų | 40 | 37.8 Ų | 37.8 | 41% | 0.412 | 19% | 0.192 | S | C | . | . | trans | 65.1 | -147.8 | -166.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | K690 A718 | K690-G692 VanDerWaalsContact C-N 3.25Å; K690-G692 PolarHBondContact O-N 3.19Å; G692-A718 WeakPolarHBondContact O-CB 3.48Å | ||
| 693 | K | 85.6 | Confident | 89.6 | Confident | 117 Ų | 117 | 37.8 Ų | 37.8 | 51% | 0.509 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -82.6 | 131.2 | 176.8 | -66.4 | -173 | 178.1 | -178.5 | 0 | 110.8 | A718 N719 | K693-A718 HydrophobicContact CG-CB 4.33Å; K693-N719 WeakPolarHBondContact CA-OD1 3.47Å |
| 694 | I | 87.1 | Confident | 89.3 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -122.8 | 113.8 | 180 | 53.4 | 148 | 0 | 0 | 0 | 112.1 | V632 W670 C691 L696 L697 L715 F716 N719 | V632-I694 HydrophobicContact CB-CD1 4.44Å; V632-I694 HydrophobicContact CG2-CD1 4.31Å; V632-I694 HydrophobicContact CG2-CG2 3.81Å; W670-I694 HydrophobicContact CH2-CG2 4.25Å; C691-I694 HydrophobicContact CB-CG2 3.7Å; I694-L696 VanDerWaalsContact C-N 3.3Å; I694-L696 PolarHBondContact O-N 3.04Å; I694-L697 HydrophobicContact CD1-CB 4.35Å; I694-L697 HydrophobicContact CD1-CD1 4.47Å; I694-L715 HydrophobicContact CD1-CB 3.62Å; I694-L715 HydrophobicContact CG1-CB 4.37Å; I694-F716 HydrophobicContact CD1-CD1 4.25Å; I694-F716 HydrophobicContact CD1-CE1 4.16Å; I694-F716 HydrophobicContact CG1-CD1 4.15Å; I694-F716 HydrophobicContact CG1-CE1 4.32Å; I694-F716 WeakPolarHBondContact O-CE1 3.48Å; I694-N719 PolarHBondContact N-OD1 3.33Å; I694-N719 PolarHBondContact O-ND2 3.08Å | ||
| 695 | P | 86.4 | Confident | 89.2 | Confident | 34 Ų | 34 | 43 Ų | 43 | 22% | 0.221 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -70.3 | -20.6 | 177.9 | 26 | -35.6 | 0 | 0 | 0 | 114.4 | E629 P630 G729 Q730 | E629-P695 HydrophobicContact CB-CG 3.73Å; E629-P695 HydrophobicContact CG-CG 3.96Å; P630-P695 WeakPolarHBondContact O-CD 3.26Å; P695-G729 WeakPolarHBondContact O-CA 3.44Å; P695-Q730 PolarHBondContact O-N 3.48Å |
| 696 | L | 89.8 | Confident | 89.2 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 127.3 | -175.6 | -178 | 60.4 | 0 | 0 | 0 | 112.3 | L619 F626 A631 V632 I694 I698 Q730 V732 | L619-L696 HydrophobicContact CD2-CD2 4.41Å; L619-L696 HydrophobicContact CG-CD2 4.45Å; F626-L696 HydrophobicContact CE2-CD2 3.66Å; F626-L696 HydrophobicContact CZ-CD2 4.02Å; A631-L696 HydrophobicContact CB-CB 4.2Å; A631-L696 HydrophobicContact CB-CD2 4.16Å; A631-L696 HydrophobicContact CB-CG 4.37Å; V632-L696 PolarHBondContact N-O 3.08Å; V632-L696 VanDerWaalsContact N-O 3.1Å; I694-L696 VanDerWaalsContact C-N 3.3Å; I694-L696 PolarHBondContact O-N 3.04Å; L696-I698 HydrophobicContact CD1-CG1 4.27Å; L696-I698 HydrophobicContact CD2-CD1 4.03Å; L696-I698 HydrophobicContact CD2-CG1 4.23Å; L696-I698 HydrophobicContact CG-CD1 4.32Å; L696-I698 HydrophobicContact CG-CG1 3.99Å; L696-Q730 WeakPolarHBondContact CA-O 3.32Å; L696-Q730 HydrophobicContact CD1-CB 4.2Å; L696-Q730 HydrophobicContact CD1-CG 4.46Å; L696-V732 HydrophobicContact CD1-CG2 3.96Å |
| 697 | L | 94.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 130 | 168.6 | -177.7 | 62.2 | 0 | 0 | 0 | 109.2 | V632 V634 I694 H699 R712 L715 F716 Q730 S731 V732 | V632-L697 HydrophobicContact CB-CD1 4.27Å; V632-L697 HydrophobicContact CG1-CD1 4.39Å; V632-L697 CarbonylContact O-C 3.22Å; V632-L697 WeakPolarHBondContact O-CA 3.29Å; V634-L697 HydrophobicContact CG2-CD1 3.91Å; I694-L697 HydrophobicContact CD1-CB 4.35Å; I694-L697 HydrophobicContact CD1-CD1 4.47Å; L697-H699 WeakPolarHBondContact CD2-NE2 3.47Å; L697-R712 HydrophobicContact CD2-CB 4.41Å; L697-L715 HydrophobicContact CD1-CD1 3.81Å; L697-F716 HydrophobicContact CB-CE1 4.3Å; L697-F716 HydrophobicContact CB-CE2 3.8Å; L697-F716 HydrophobicContact CB-CZ 3.43Å; L697-F716 VanDerWaalsContact CB-CZ 3.43Å; L697-F716 HydrophobicContact CD2-CD2 4.34Å; L697-F716 HydrophobicContact CD2-CE2 3.65Å; L697-F716 HydrophobicContact CD2-CZ 4.2Å; L697-F716 HydrophobicContact CG-CE2 4.39Å; L697-F716 HydrophobicContact CG-CZ 4.47Å; L697-Q730 PolarHBondContact N-O 3.12Å; L697-S731 CarbonylContact O-C 3.6Å; L697-S731 WeakPolarHBondContact O-CA 3.35Å; L697-V732 PolarHBondContact O-N 2.71Å |
| 698 | I | 95.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 126.5 | 177.6 | -54.6 | 169.3 | 0 | 0 | 0 | 109.2 | L616 L619 V632 M633 V634 L678 L696 V732 | L616-I698 HydrophobicContact CD1-CD1 3.95Å; L619-I698 HydrophobicContact CD2-CD1 3.74Å; L619-I698 HydrophobicContact CD2-CG1 3.99Å; V632-I698 PolarHBondContact O-N 3.49Å; M633-I698 CarbonylContact C-O 3.51Å; M633-I698 VanDerWaalsContact CA-O 3.28Å; M633-I698 WeakPolarHBondContact CA-O 3.26Å; M633-I698 HydrophobicContact CB-CB 4.21Å; M633-I698 HydrophobicContact CE-CB 3.99Å; M633-I698 HydrophobicContact CE-CD1 3.69Å; M633-I698 HydrophobicContact CE-CG1 4.44Å; M633-I698 HydrophobicContact CE-CG2 3.7Å; M633-I698 HydrophobicContact CG-CB 4.13Å; M633-I698 HydrophobicContact CG-CG2 4.24Å; V634-I698 PolarHBondContact N-O 2.92Å; L678-I698 HydrophobicContact CD1-CD1 4.44Å; L696-I698 HydrophobicContact CD1-CG1 4.27Å; L696-I698 HydrophobicContact CD2-CD1 4.03Å; L696-I698 HydrophobicContact CD2-CG1 4.23Å; L696-I698 HydrophobicContact CG-CD1 4.32Å; L696-I698 HydrophobicContact CG-CG1 3.99Å; I698-V732 CarbonylContact C-O 3.52Å; I698-V732 WeakPolarHBondContact CA-O 3.29Å |
| 699 | H | 96.3 | Very high | 90 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 93.5 | 173.2 | -56.1 | -123.4 | 0 | 0 | 0 | 107.1 | L697 S701 F709 R712 F713 S731 V732 V733 F734 | L697-H699 WeakPolarHBondContact CD2-NE2 3.47Å; H699-S701 VanDerWaalsContact C-N 3.3Å; H699-S701 PolarHBondContact O-N 3.22Å; H699-F709 HydrophobicContact CB-CE2 4.28Å; H699-F709 AromaticContact CE1-CE2 3.72Å; H699-F709 AromaticContact CE1-CZ 3.97Å; H699-F709 AromaticContact CG-CE2 3.89Å; H699-F709 AromaticContact ND1-CD2 3.58Å; H699-F709 AromaticContact ND1-CE2 3.14Å; H699-F709 WeakPolarHBondContact ND1-CE2 3.23Å; H699-F709 AromaticContact ND1-CZ 3.83Å; H699-R712 VanDerWaalsContact ND1-CD 3.26Å; H699-R712 WeakPolarHBondContact ND1-CD 3.35Å; H699-R712 PolarHBondContact ND1-NH1 2.86Å; H699-F713 AromaticContact CE1-CE2 3.44Å; H699-F713 VanDerWaalsContact CE1-CE2 3.44Å; H699-F713 WeakPolarHBondContact CE1-CE2 3.27Å; H699-F713 AromaticContact CE1-CZ 3.73Å; H699-F713 AromaticContact NE2-CE2 3.81Å; H699-F713 AromaticContact NE2-CZ 3.62Å; H699-S731 PolarHBondContact NE2-OG 2.75Å; H699-V732 PolarHBondContact N-O 2.72Å; H699-V733 HydrophobicContact CB-CB 4.44Å; H699-V733 HydrophobicContact CB-CG1 4.23Å; H699-V733 HydrophobicContact CB-CG2 4.31Å; H699-F734 PolarHBondContact O-N 3.43Å |
| 700 | Y | 95.1 | Very high | 90.3 | Very high | 8 Ų | 8 | 40.7 Ų | 40.7 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -68.4 | -32.8 | -174.7 | -173.7 | -89 | 0 | 0 | 0 | 112.6 | E609 K612 I613 M633 V634 E640 L644 F734 | E609-Y700 VanDerWaalsContact OE2-CE1 3.23Å; E609-Y700 WeakPolarHBondContact OE2-CE1 3.32Å; E609-Y700 VanDerWaalsContact OE2-CZ 3.3Å; E609-Y700 PolarHBondContact OE2-OH 2.96Å; K612-Y700 HydrophobicContact CB-CE2 4.12Å; K612-Y700 HydrophobicContact CD-CD1 4.48Å; K612-Y700 HydrophobicContact CD-CE1 3.85Å; K612-Y700 HydrophobicContact CD-CE2 4.03Å; K612-Y700 WeakPolarHBondContact CE-O 3.27Å; K612-Y700 PolarHBondContact NZ-O 2.69Å; I613-Y700 HydrophobicContact CD1-CE2 4.4Å; M633-Y700 HydrophobicContact CE-CD2 4.48Å; M633-Y700 HydrophobicContact SD-CD2 4.08Å; M633-Y700 HydrophobicContact SD-CG 4.4Å; V634-Y700 PolarHBondContact O-N 2.85Å; V634-Y700 VanDerWaalsContact O-N 3.16Å; E640-Y700 HydrophobicContact CG-CD1 4.3Å; E640-Y700 WeakPolarHBondContact OE1-CD1 3.36Å; L644-Y700 HydrophobicContact CD1-CD2 4.32Å; L644-Y700 HydrophobicContact CD1-CE2 3.74Å; L644-Y700 HydrophobicContact CD2-CD1 4Å; L644-Y700 HydrophobicContact CD2-CD2 3.52Å; L644-Y700 HydrophobicContact CD2-CE1 4.23Å; L644-Y700 HydrophobicContact CD2-CE2 3.76Å; L644-Y700 HydrophobicContact CD2-CG 3.66Å; L644-Y700 HydrophobicContact CG-CE2 4.43Å; Y700-F734 AromaticContact CD2-CD2 3.95Å; Y700-F734 HydrophobicContact CD2-CD2 3.95Å; Y700-F734 HydrophobicContact CD2-CE2 4.11Å; Y700-F734 HydrophobicContact CE2-CD2 4.3Å; Y700-F734 HydrophobicContact CE2-CE2 4.36Å |
| 701 | S | 92.2 | Very high | 90.7 | Very high | 21 Ų | 21 | 34.4 Ų | 34.4 | 15% | 0.147 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -144.3 | 154.3 | 169.2 | -70.8 | 0 | 0 | 0 | 0 | 108.9 | K612 E640 H699 R712 | K612-S701 PolarHBondContact NZ-OG 3.1Å; K612-S701 VanDerWaalsContact NZ-OG 3.14Å; E640-S701 VanDerWaalsContact OE1-CB 3.25Å; E640-S701 WeakPolarHBondContact OE1-CB 3.37Å; E640-S701 PolarHBondContact OE1-OG 3.27Å; H699-S701 VanDerWaalsContact C-N 3.3Å; H699-S701 PolarHBondContact O-N 3.22Å; S701-R712 PolarHBondContact O-NH1 3.39Å; S701-R712 PolarHBondContact O-NH2 3.06Å; S701-R712 VanDerWaalsContact O-NH2 3.13Å |
| 702 | F | 92 | Very high | 91.4 | Very high | 15 Ų | 15 | 34.1 Ų | 34.1 | 7% | 0.066 | 20% | 0.195 | C | C | . | . | trans | -60.6 | 160.5 | 176 | -76.9 | -74.6 | 0 | 0 | 0 | 112.7 | F709 R712 V733 A735 D739 N742 L746 | F702-F709 AromaticContact CD1-CD2 3.71Å; F702-F709 HydrophobicContact CD1-CD2 3.71Å; F702-F709 AromaticContact CD1-CE2 3.68Å; F702-F709 HydrophobicContact CD1-CE2 3.68Å; F702-F709 HydrophobicContact CD1-CG 4.48Å; F702-F709 HydrophobicContact CD1-CZ 4.44Å; F702-F709 HydrophobicContact CE1-CD2 4.24Å; F702-F709 AromaticContact CE1-CE2 3.78Å; F702-F709 HydrophobicContact CE1-CE2 3.78Å; F702-F709 HydrophobicContact CE1-CZ 4.15Å; F702-R712 PolarHBondContact O-NH2 3.01Å; F702-V733 HydrophobicContact CE1-CG1 3.82Å; F702-V733 HydrophobicContact CZ-CG1 3.8Å; F702-A735 HydrophobicContact CE2-CB 3.56Å; F702-A735 HydrophobicContact CZ-CB 3.87Å; F702-D739 HydrophobicContact CD2-CB 3.79Å; F702-D739 VanDerWaalsContact CD2-OD2 3.29Å; F702-D739 WeakPolarHBondContact CD2-OD2 3.44Å; F702-D739 HydrophobicContact CE2-CB 3.65Å; F702-D739 WeakPolarHBondContact CE2-OD2 3.46Å; F702-N742 HydrophobicContact CD1-CB 3.68Å; F702-N742 HydrophobicContact CD2-CB 4.01Å; F702-N742 HydrophobicContact CE1-CB 3.62Å; F702-N742 HydrophobicContact CE2-CB 3.92Å; F702-N742 HydrophobicContact CG-CB 3.89Å; F702-N742 HydrophobicContact CZ-CB 3.74Å; F702-L746 HydrophobicContact CE1-CD1 3.72Å; F702-L746 HydrophobicContact CZ-CD1 3.7Å | ||
| 703 | A | 90.6 | Very high | 91.9 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 3% | 0.033 | 18% | 0.176 | C | C | . | . | trans | -81.6 | 152.9 | 168 | 0 | 0 | 0 | 0 | 0 | 109.8 | D683 M705 R708 F709 | D683-A703 VanDerWaalsContact OD2-CB 3.22Å; D683-A703 WeakPolarHBondContact OD2-CB 3.49Å; A703-M705 PolarHBondContact O-N 3.02Å; A703-M705 VanDerWaalsContact O-N 3.11Å; A703-R708 HydrophobicContact CB-CB 3.83Å; A703-F709 HydrophobicContact CB-CB 3.93Å | ||
| 704 | S | 86.5 | Confident | 92.3 | Very high | 107 Ų | 107 | 27.7 Ų | 27.7 | 75% | 0.748 | 16% | 0.158 | S | C | * | . | S | Bend | trans | -59.7 | -21.2 | 176.1 | 54.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 705 | M | 90.1 | Very high | 92.5 | Very high | 106 Ų | 106 | 28.1 Ų | 28.1 | 52% | 0.522 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -135.6 | 139.4 | 177 | -68.2 | -174.8 | -77.5 | 0 | 0 | 111.3 | A703 A707 R708 F709 | A703-M705 PolarHBondContact O-N 3.02Å; A703-M705 VanDerWaalsContact O-N 3.11Å; M705-A707 PolarHBondContact O-N 3.01Å; M705-R708 HydrophobicContact CB-CG 4.23Å; M705-R708 HydrophobicContact CE-CG 4.1Å; M705-R708 WeakPolarHBondContact O-CA 3.42Å; M705-R708 WeakPolarHBondContact O-CB 3.37Å; M705-R708 PolarHBondContact O-N 3.08Å; M705-F709 PolarHBondContact O-N 3.47Å |
| 706 | W | 92.4 | Very high | 92.8 | Very high | 51 Ų | 51 | 26.5 Ų | 26.5 | 19% | 0.193 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.8 | -35.8 | 178 | -176 | -125.5 | 0 | 0 | 0 | 113.1 | L591 R708 F709 K710 K745 L746 | L591-W706 HydrophobicContact CD2-CH2 4.21Å; L591-W706 HydrophobicContact CD2-CZ2 4.09Å; W706-R708 VanDerWaalsContact C-N 3.34Å; W706-R708 PolarHBondContact O-N 3.32Å; W706-F709 HydrophobicContact CE3-CB 4.27Å; W706-F709 AromaticContact CE3-CD1 3.65Å; W706-F709 HydrophobicContact CE3-CD1 3.65Å; W706-F709 HydrophobicContact CE3-CE1 4.35Å; W706-F709 HydrophobicContact CE3-CG 4.18Å; W706-F709 AromaticContact CH2-CD1 3.89Å; W706-F709 HydrophobicContact CH2-CD1 3.89Å; W706-F709 AromaticContact CH2-CE1 3.86Å; W706-F709 HydrophobicContact CH2-CE1 3.86Å; W706-F709 AromaticContact CZ3-CD1 3.26Å; W706-F709 HydrophobicContact CZ3-CD1 3.26Å; W706-F709 AromaticContact CZ3-CE1 3.5Å; W706-F709 HydrophobicContact CZ3-CE1 3.5Å; W706-F709 HydrophobicContact CZ3-CG 4.1Å; W706-F709 HydrophobicContact CZ3-CZ 4.47Å; W706-F709 PolarHBondContact O-N 3.32Å; W706-K710 HydrophobicContact CD2-CD 4.47Å; W706-K710 HydrophobicContact CD2-CG 4.25Å; W706-K710 HydrophobicContact CZ2-CD 4.06Å; W706-K710 HydrophobicContact CZ2-CG 4.15Å; W706-K710 WeakPolarHBondContact O-CG 3.37Å; W706-K710 PolarHBondContact O-N 2.93Å; W706-K745 HydrophobicContact CB-CD 4.03Å; W706-K745 HydrophobicContact CD2-CB 4.01Å; W706-K745 HydrophobicContact CD2-CD 3.88Å; W706-K745 HydrophobicContact CD2-CG 4.41Å; W706-K745 HydrophobicContact CE3-CB 3.99Å; W706-K745 HydrophobicContact CE3-CD 4.12Å; W706-K745 HydrophobicContact CG-CD 3.83Å; W706-K745 HydrophobicContact CH2-CB 3.95Å; W706-K745 HydrophobicContact CZ2-CB 3.94Å; W706-K745 HydrophobicContact CZ3-CB 3.95Å; W706-L746 HydrophobicContact CH2-CD2 4.02Å; W706-L746 HydrophobicContact CH2-CG 4.17Å; W706-L746 HydrophobicContact CZ3-CD2 4.42Å; W706-L746 HydrophobicContact CZ3-CG 4.28Å |
| 707 | A | 90.8 | Very high | 92.8 | Very high | 71 Ų | 71 | 26.9 Ų | 26.9 | 59% | 0.587 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -62.4 | -38.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | M705 N711 | M705-A707 PolarHBondContact O-N 3.01Å; A707-N711 WeakPolarHBondContact O-CB 3.47Å; A707-N711 PolarHBondContact O-N 3.4Å |
| 708 | R | 92.8 | Very high | 92.4 | Very high | 72 Ų | 72 | 28 Ų | 28 | 27% | 0.272 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -70.2 | -44.4 | 175.9 | -61.7 | -168 | 74.1 | 154.4 | 9.7 | 111 | D683 D684 A703 M705 W706 K710 N711 R712 | D683-R708 PolarHBondContact O-NH2 3.48Å; D684-R708 VanDerWaalsContact CA-NH2 3.27Å; D684-R708 IonicContact OD1-CZ 3.77Å; D684-R708 VanDerWaalsContact OD1-CZ 3.32Å; D684-R708 IonicContact OD1-NH1 3.47Å; D684-R708 PolarHBondContact OD1-NH1 3.44Å; D684-R708 IonicContact OD1-NH2 2.78Å; D684-R708 PolarHBondContact OD1-NH2 2.91Å; A703-R708 HydrophobicContact CB-CB 3.83Å; M705-R708 HydrophobicContact CB-CG 4.23Å; M705-R708 HydrophobicContact CE-CG 4.1Å; M705-R708 WeakPolarHBondContact O-CA 3.42Å; M705-R708 WeakPolarHBondContact O-CB 3.37Å; M705-R708 PolarHBondContact O-N 3.08Å; W706-R708 VanDerWaalsContact C-N 3.34Å; W706-R708 PolarHBondContact O-N 3.32Å; R708-K710 VanDerWaalsContact C-N 3.35Å; R708-K710 PolarHBondContact O-N 3.14Å; R708-N711 WeakPolarHBondContact O-CA 3.33Å; R708-N711 WeakPolarHBondContact O-CB 3.39Å; R708-N711 PolarHBondContact O-N 3.17Å; R708-R712 PolarHBondContact O-N 2.85Å; R708-R712 VanDerWaalsContact O-N 3.17Å |
| 709 | F | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.2 | -47.6 | 174.4 | 176.8 | -92.5 | 0 | 0 | 0 | 112.1 | H699 F702 A703 M705 W706 N711 R712 F713 V733 L746 | H699-F709 HydrophobicContact CB-CE2 4.28Å; H699-F709 AromaticContact CE1-CE2 3.72Å; H699-F709 AromaticContact CE1-CZ 3.97Å; H699-F709 AromaticContact CG-CE2 3.89Å; H699-F709 AromaticContact ND1-CD2 3.58Å; H699-F709 AromaticContact ND1-CE2 3.14Å; H699-F709 WeakPolarHBondContact ND1-CE2 3.23Å; H699-F709 AromaticContact ND1-CZ 3.83Å; F702-F709 AromaticContact CD1-CD2 3.71Å; F702-F709 HydrophobicContact CD1-CD2 3.71Å; F702-F709 AromaticContact CD1-CE2 3.68Å; F702-F709 HydrophobicContact CD1-CE2 3.68Å; F702-F709 HydrophobicContact CD1-CG 4.48Å; F702-F709 HydrophobicContact CD1-CZ 4.44Å; F702-F709 HydrophobicContact CE1-CD2 4.24Å; F702-F709 AromaticContact CE1-CE2 3.78Å; F702-F709 HydrophobicContact CE1-CE2 3.78Å; F702-F709 HydrophobicContact CE1-CZ 4.15Å; A703-F709 HydrophobicContact CB-CB 3.93Å; M705-F709 PolarHBondContact O-N 3.47Å; W706-F709 HydrophobicContact CE3-CB 4.27Å; W706-F709 AromaticContact CE3-CD1 3.65Å; W706-F709 HydrophobicContact CE3-CD1 3.65Å; W706-F709 HydrophobicContact CE3-CE1 4.35Å; W706-F709 HydrophobicContact CE3-CG 4.18Å; W706-F709 AromaticContact CH2-CD1 3.89Å; W706-F709 HydrophobicContact CH2-CD1 3.89Å; W706-F709 AromaticContact CH2-CE1 3.86Å; W706-F709 HydrophobicContact CH2-CE1 3.86Å; W706-F709 AromaticContact CZ3-CD1 3.26Å; W706-F709 HydrophobicContact CZ3-CD1 3.26Å; W706-F709 AromaticContact CZ3-CE1 3.5Å; W706-F709 HydrophobicContact CZ3-CE1 3.5Å; W706-F709 HydrophobicContact CZ3-CG 4.1Å; W706-F709 HydrophobicContact CZ3-CZ 4.47Å; W706-F709 PolarHBondContact O-N 3.32Å; F709-N711 VanDerWaalsContact C-N 3.32Å; F709-N711 PolarHBondContact O-N 3.42Å; F709-R712 VanDerWaalsContact O-CB 3.3Å; F709-R712 WeakPolarHBondContact O-CB 3.31Å; F709-R712 PolarHBondContact O-N 3.13Å; F709-F713 HydrophobicContact CD1-CE2 4.31Å; F709-F713 AromaticContact CE1-CE2 3.8Å; F709-F713 HydrophobicContact CE1-CE2 3.8Å; F709-F713 HydrophobicContact CE1-CZ 4.4Å; F709-F713 HydrophobicContact CZ-CE2 4.11Å; F709-F713 HydrophobicContact CZ-CZ 4.45Å; F709-V733 HydrophobicContact CE2-CG1 4.24Å; F709-V733 HydrophobicContact CE2-CG2 4.32Å; F709-V733 HydrophobicContact CZ-CG1 4.42Å; F709-V733 HydrophobicContact CZ-CG2 3.96Å; F709-L746 HydrophobicContact CE1-CD2 4.12Å; F709-L746 HydrophobicContact CZ-CD2 4.22Å |
| 710 | K | 94.8 | Very high | 91.2 | Very high | 19 Ų | 19 | 29.4 Ų | 29.4 | 8% | 0.083 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64 | -36.3 | 175.4 | -68.5 | -165.3 | -66.3 | 175.1 | 0 | 112.3 | N407 D589 L591 W706 R708 R712 F713 | N407-K710 PolarHBondContact OD1-NZ 2.96Å; D589-K710 WeakPolarHBondContact OD2-CE 3.46Å; D589-K710 IonicContact OD2-NZ 2.74Å; D589-K710 PolarHBondContact OD2-NZ 3.45Å; L591-K710 HydrophobicContact CB-CB 4.06Å; L591-K710 HydrophobicContact CB-CD 4.13Å; L591-K710 HydrophobicContact CB-CG 3.91Å; L591-K710 HydrophobicContact CD2-CD 3.94Å; L591-K710 HydrophobicContact CD2-CG 3.77Å; L591-K710 HydrophobicContact CG-CG 4.49Å; W706-K710 HydrophobicContact CD2-CD 4.47Å; W706-K710 HydrophobicContact CD2-CG 4.25Å; W706-K710 HydrophobicContact CZ2-CD 4.06Å; W706-K710 HydrophobicContact CZ2-CG 4.15Å; W706-K710 WeakPolarHBondContact O-CG 3.37Å; W706-K710 PolarHBondContact O-N 2.93Å; R708-K710 VanDerWaalsContact C-N 3.35Å; R708-K710 PolarHBondContact O-N 3.14Å; K710-R712 VanDerWaalsContact C-N 3.25Å; K710-R712 PolarHBondContact O-N 3.24Å; K710-F713 WeakPolarHBondContact O-CB 3.02Å; K710-F713 WeakPolarHBondContact O-CD2 3.33Å; K710-F713 PolarHBondContact O-N 2.79Å |
| 711 | N | 93.1 | Very high | 89.9 | Confident | 49 Ų | 49 | 33.4 Ų | 33.4 | 26% | 0.262 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65 | -23.2 | 176.7 | -170.4 | 64.8 | 0 | 0 | 0 | 113.9 | V686 A707 R708 F709 F713 S714 | V686-N711 WeakPolarHBondContact CG1-O 3.41Å; A707-N711 WeakPolarHBondContact O-CB 3.47Å; A707-N711 PolarHBondContact O-N 3.4Å; R708-N711 WeakPolarHBondContact O-CA 3.33Å; R708-N711 WeakPolarHBondContact O-CB 3.39Å; R708-N711 PolarHBondContact O-N 3.17Å; F709-N711 VanDerWaalsContact C-N 3.32Å; F709-N711 PolarHBondContact O-N 3.42Å; N711-F713 PolarHBondContact O-N 2.8Å; N711-S714 VanDerWaalsContact O-CB 3.26Å; N711-S714 WeakPolarHBondContact O-CB 3.44Å; N711-S714 PolarHBondContact O-N 3.04Å; N711-S714 PolarHBondContact O-OG 3.02Å |
| 712 | R | 95.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -55.4 | -31.4 | 172.2 | -61.6 | 176.6 | 176.3 | -169.2 | 0.1 | 112.9 | V634 D683 L697 H699 S701 F702 R708 F709 K710 S714 L715 | V634-R712 HydrophobicContact CB-CG 4.37Å; V634-R712 HydrophobicContact CG1-CG 4.09Å; V634-R712 VanDerWaalsContact CG1-NE 3.32Å; V634-R712 HydrophobicContact CG2-CB 4.4Å; V634-R712 HydrophobicContact CG2-CG 4.18Å; V634-R712 PolarHBondContact O-NH1 3.31Å; D683-R712 VanDerWaalsContact OD1-CG 3.29Å; D683-R712 WeakPolarHBondContact OD1-CG 3.5Å; D683-R712 IonicContact OD1-CZ 3.21Å; D683-R712 IonicContact OD1-NE 3.41Å; D683-R712 PolarHBondContact OD1-NE 2.9Å; D683-R712 IonicContact OD1-NH2 2.76Å; D683-R712 IonicContact OD2-CZ 3.89Å; D683-R712 IonicContact OD2-NE 3.11Å; D683-R712 PolarHBondContact OD2-NE 2.86Å; D683-R712 IonicContact OD2-NH2 3.36Å; D683-R712 PolarHBondContact OD2-NH2 3.1Å; L697-R712 HydrophobicContact CD2-CB 4.41Å; H699-R712 VanDerWaalsContact ND1-CD 3.26Å; H699-R712 WeakPolarHBondContact ND1-CD 3.35Å; H699-R712 PolarHBondContact ND1-NH1 2.86Å; S701-R712 PolarHBondContact O-NH1 3.39Å; S701-R712 PolarHBondContact O-NH2 3.06Å; S701-R712 VanDerWaalsContact O-NH2 3.13Å; F702-R712 PolarHBondContact O-NH2 3.01Å; R708-R712 PolarHBondContact O-N 2.85Å; R708-R712 VanDerWaalsContact O-N 3.17Å; F709-R712 VanDerWaalsContact O-CB 3.3Å; F709-R712 WeakPolarHBondContact O-CB 3.31Å; F709-R712 PolarHBondContact O-N 3.13Å; K710-R712 VanDerWaalsContact C-N 3.25Å; K710-R712 PolarHBondContact O-N 3.24Å; R712-S714 PolarHBondContact O-N 3.42Å; R712-L715 WeakPolarHBondContact O-CG 3.27Å; R712-L715 PolarHBondContact O-N 3.18Å |
| 713 | F | 94.8 | Very high | 86.1 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -70.1 | -13.3 | 178.2 | -69 | -94.3 | 0 | 0 | 0 | 113.7 | A590 L591 L601 H699 F709 K710 N711 L715 F716 S731 | A590-F713 HydrophobicContact CB-CB 3.99Å; A590-F713 WeakPolarHBondContact O-CB 3.47Å; L591-F713 HydrophobicContact CB-CD2 4.06Å; L591-F713 HydrophobicContact CB-CG 4.23Å; L591-F713 HydrophobicContact CD1-CD1 3.91Å; L591-F713 HydrophobicContact CD1-CD2 4.02Å; L591-F713 HydrophobicContact CD1-CE1 3.71Å; L591-F713 HydrophobicContact CD1-CE2 3.83Å; L591-F713 HydrophobicContact CD1-CG 4.07Å; L591-F713 HydrophobicContact CD1-CZ 3.68Å; L601-F713 HydrophobicContact CD2-CE1 3.62Å; L601-F713 HydrophobicContact CD2-CZ 4.14Å; H699-F713 AromaticContact CE1-CE2 3.44Å; H699-F713 VanDerWaalsContact CE1-CE2 3.44Å; H699-F713 WeakPolarHBondContact CE1-CE2 3.27Å; H699-F713 AromaticContact CE1-CZ 3.73Å; H699-F713 AromaticContact NE2-CE2 3.81Å; H699-F713 AromaticContact NE2-CZ 3.62Å; F709-F713 HydrophobicContact CD1-CE2 4.31Å; F709-F713 AromaticContact CE1-CE2 3.8Å; F709-F713 HydrophobicContact CE1-CE2 3.8Å; F709-F713 HydrophobicContact CE1-CZ 4.4Å; F709-F713 HydrophobicContact CZ-CE2 4.11Å; F709-F713 HydrophobicContact CZ-CZ 4.45Å; K710-F713 WeakPolarHBondContact O-CB 3.02Å; K710-F713 WeakPolarHBondContact O-CD2 3.33Å; K710-F713 PolarHBondContact O-N 2.79Å; N711-F713 PolarHBondContact O-N 2.8Å; F713-L715 PolarHBondContact O-N 2.81Å; F713-L715 VanDerWaalsContact O-N 3.13Å; F713-F716 HydrophobicContact CB-CD2 4.49Å; F713-F716 HydrophobicContact CD1-CD2 4.04Å; F713-F716 AromaticContact CD1-CE2 3.95Å; F713-F716 HydrophobicContact CD1-CE2 3.95Å; F713-F716 HydrophobicContact CE1-CE2 4.39Å; F713-F716 WeakPolarHBondContact O-CB 3.37Å; F713-F716 PolarHBondContact O-N 3.43Å; F713-S731 WeakPolarHBondContact CE1-OG 3.44Å; F713-S731 WeakPolarHBondContact CZ-OG 3.32Å |
| 714 | S | 93.4 | Very high | 84.3 | Confident | 19 Ų | 19 | 40 Ų | 40 | 13% | 0.133 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -60.9 | -21.6 | 174.9 | 64 | 0 | 0 | 0 | 0 | 113 | A590 N711 R712 F716 Y717 | A590-S714 VanDerWaalsContact CB-N 3.34Å; N711-S714 VanDerWaalsContact O-CB 3.26Å; N711-S714 WeakPolarHBondContact O-CB 3.44Å; N711-S714 PolarHBondContact O-N 3.04Å; N711-S714 PolarHBondContact O-OG 3.02Å; R712-S714 PolarHBondContact O-N 3.42Å; S714-F716 PolarHBondContact O-N 3.43Å; S714-Y717 WeakPolarHBondContact O-CB 3.36Å; S714-Y717 PolarHBondContact O-N 2.83Å |
| 715 | L | 92.6 | Very high | 82.4 | Confident | 9 Ų | 9 | 40.2 Ų | 40.2 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -60.5 | -27.4 | 173.2 | -59.8 | 175.4 | 0 | 0 | 0 | 112.6 | V632 L689 I694 L697 R712 F713 Y717 | V632-L715 HydrophobicContact CB-CD1 4.45Å; V632-L715 HydrophobicContact CG1-CD1 3.89Å; L689-L715 HydrophobicContact CB-CD2 4.06Å; L689-L715 HydrophobicContact CD2-CD2 3.92Å; L689-L715 HydrophobicContact CG-CD2 4.38Å; I694-L715 HydrophobicContact CD1-CB 3.62Å; I694-L715 HydrophobicContact CG1-CB 4.37Å; L697-L715 HydrophobicContact CD1-CD1 3.81Å; R712-L715 WeakPolarHBondContact O-CG 3.27Å; R712-L715 PolarHBondContact O-N 3.18Å; F713-L715 PolarHBondContact O-N 2.81Å; F713-L715 VanDerWaalsContact O-N 3.13Å; L715-Y717 VanDerWaalsContact C-N 3.3Å; L715-Y717 PolarHBondContact O-N 3.13Å |
| 716 | F | 91.6 | Very high | 80.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -75 | -12.2 | 174.3 | -68.4 | -62.2 | 0 | 0 | 0 | 114 | V599 I694 L697 F713 S714 A718 N719 L720 | V599-F716 HydrophobicContact CG1-CD2 4.12Å; V599-F716 HydrophobicContact CG1-CE1 4.39Å; V599-F716 HydrophobicContact CG1-CE2 3.69Å; V599-F716 HydrophobicContact CG1-CZ 3.83Å; V599-F716 HydrophobicContact CG2-CB 4.43Å; V599-F716 HydrophobicContact CG2-CD1 4.42Å; V599-F716 HydrophobicContact CG2-CD2 4.17Å; V599-F716 HydrophobicContact CG2-CG 4.11Å; I694-F716 HydrophobicContact CD1-CD1 4.25Å; I694-F716 HydrophobicContact CD1-CE1 4.16Å; I694-F716 HydrophobicContact CG1-CD1 4.15Å; I694-F716 HydrophobicContact CG1-CE1 4.32Å; I694-F716 WeakPolarHBondContact O-CE1 3.48Å; L697-F716 HydrophobicContact CB-CE1 4.3Å; L697-F716 HydrophobicContact CB-CE2 3.8Å; L697-F716 HydrophobicContact CB-CZ 3.43Å; L697-F716 VanDerWaalsContact CB-CZ 3.43Å; L697-F716 HydrophobicContact CD2-CD2 4.34Å; L697-F716 HydrophobicContact CD2-CE2 3.65Å; L697-F716 HydrophobicContact CD2-CZ 4.2Å; L697-F716 HydrophobicContact CG-CE2 4.39Å; L697-F716 HydrophobicContact CG-CZ 4.47Å; F713-F716 HydrophobicContact CB-CD2 4.49Å; F713-F716 HydrophobicContact CD1-CD2 4.04Å; F713-F716 AromaticContact CD1-CE2 3.95Å; F713-F716 HydrophobicContact CD1-CE2 3.95Å; F713-F716 HydrophobicContact CE1-CE2 4.39Å; F713-F716 WeakPolarHBondContact O-CB 3.37Å; F713-F716 PolarHBondContact O-N 3.43Å; S714-F716 PolarHBondContact O-N 3.43Å; F716-A718 PolarHBondContact O-N 3.44Å; F716-N719 WeakPolarHBondContact O-CA 3.31Å; F716-N719 WeakPolarHBondContact O-CB 3.46Å; F716-N719 PolarHBondContact O-N 3.06Å; F716-L720 WeakPolarHBondContact O-CG 3.16Å; F716-L720 PolarHBondContact O-N 3.33Å |
| 717 | Y | 90.3 | Very high | 79.3 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 4% | 0.043 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -56.4 | -23.3 | -175.4 | -73.3 | -4.7 | 0 | 0 | 0 | 114.5 | N343 G346 L348 A590 A593 S714 L715 L720 K721 | N343-Y717 HydrophobicContact CB-CD2 3.96Å; N343-Y717 HydrophobicContact CB-CG 4.31Å; G346-Y717 VanDerWaalsContact O-CE2 3.31Å; G346-Y717 WeakPolarHBondContact O-CE2 3.26Å; G346-Y717 PolarHBondContact O-OH 3.3Å; L348-Y717 HydrophobicContact CB-CD1 4.05Å; L348-Y717 HydrophobicContact CB-CE1 3.76Å; L348-Y717 HydrophobicContact CB-CE2 4.34Å; L348-Y717 HydrophobicContact CB-CG 4.44Å; L348-Y717 HydrophobicContact CD1-CD1 4.01Å; L348-Y717 HydrophobicContact CD1-CG 4.03Å; L348-Y717 HydrophobicContact CG-CD1 4.46Å; A590-Y717 HydrophobicContact CB-CE1 3.64Å; A590-Y717 WeakPolarHBondContact CB-OH 3.06Å; A593-Y717 HydrophobicContact CB-CE1 3.99Å; S714-Y717 WeakPolarHBondContact O-CB 3.36Å; S714-Y717 PolarHBondContact O-N 2.83Å; L715-Y717 VanDerWaalsContact C-N 3.3Å; L715-Y717 PolarHBondContact O-N 3.13Å; Y717-L720 HydrophobicContact CD1-CD1 4.26Å; Y717-K721 WeakPolarHBondContact O-CG 3.43Å |
| 718 | A | 85.5 | Confident | 78.7 | Confident | 24 Ų | 24 | 43.7 Ų | 43.7 | 20% | 0.198 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -76.6 | -31.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | G692 K693 F716 | G692-A718 WeakPolarHBondContact O-CB 3.48Å; K693-A718 HydrophobicContact CG-CB 4.33Å; F716-A718 PolarHBondContact O-N 3.44Å |
| 719 | N | 84.9 | Confident | 78.5 | Confident | 10 Ų | 10 | 40.6 Ų | 40.6 | 5% | 0.053 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -68.4 | -42.8 | 175.9 | -51.7 | 25 | 0 | 0 | 0 | 109.6 | K693 I694 F716 K721 S722 V728 | K693-N719 WeakPolarHBondContact CA-OD1 3.47Å; I694-N719 PolarHBondContact N-OD1 3.33Å; I694-N719 PolarHBondContact O-ND2 3.08Å; F716-N719 WeakPolarHBondContact O-CA 3.31Å; F716-N719 WeakPolarHBondContact O-CB 3.46Å; F716-N719 PolarHBondContact O-N 3.06Å; N719-K721 PolarHBondContact O-N 3.02Å; N719-S722 PolarHBondContact O-N 3.21Å; N719-V728 HydrophobicContact CB-CG1 3.41Å; N719-V728 VanDerWaalsContact CB-CG1 3.41Å; N719-V728 PolarHBondContact ND2-O 3.15Å |
| 720 | L | 80.8 | Confident | 78.3 | Confident | 19 Ų | 19 | 42.1 Ų | 42.1 | 10% | 0.099 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -65 | 3.5 | 180 | -54.1 | -179.1 | 0 | 0 | 0 | 114.9 | T341 L348 A593 F716 Y717 V728 | T341-L720 PolarHBondContact OG1-O 3.32Å; L348-L720 HydrophobicContact CD1-CB 4.19Å; L348-L720 HydrophobicContact CD1-CD1 4.38Å; L348-L720 HydrophobicContact CD2-CB 4.2Å; L348-L720 HydrophobicContact CD2-CD1 3.55Å; A593-L720 HydrophobicContact CB-CD1 4.49Å; F716-L720 WeakPolarHBondContact O-CG 3.16Å; F716-L720 PolarHBondContact O-N 3.33Å; Y717-L720 HydrophobicContact CD1-CD1 4.26Å; L720-V728 HydrophobicContact CD2-CB 4.5Å; L720-V728 HydrophobicContact CD2-CG1 3.9Å |
| 721 | K | 68 | Low | 78.3 | Confident | 93 Ų | 93 | 41.2 Ų | 41.2 | 40% | 0.404 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -85.9 | -4.1 | 173 | -57 | -153.6 | 173.8 | -149.3 | 0 | 114.3 | T341 N343 Y717 N719 | T341-K721 HydrophobicContact CG2-CG 3.95Å; T341-K721 PolarHBondContact O-NZ 3.06Å; T341-K721 VanDerWaalsContact O-NZ 3.16Å; N343-K721 WeakPolarHBondContact OD1-CE 3.42Å; N343-K721 PolarHBondContact OD1-NZ 3.39Å; Y717-K721 WeakPolarHBondContact O-CG 3.43Å; N719-K721 PolarHBondContact O-N 3.02Å |
| 722 | S | 54 | Low | 78.4 | Confident | 45 Ų | 45 | 38.9 Ų | 38.9 | 32% | 0.315 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -125.7 | 122.8 | -171.9 | -157.3 | 0 | 0 | 0 | 0 | 110.2 | N719 T724 | N719-S722 PolarHBondContact O-N 3.21Å; S722-T724 PolarHBondContact O-N 3.09Å; S722-T724 VanDerWaalsContact O-N 3.08Å |
| 723 | P | 51.5 | Low | 78.4 | Confident | 82 Ų | 82 | 39.1 Ų | 39.1 | 53% | 0.532 | 21% | 0.214 | S | C | . | . | trans | -70.4 | 105 | 169.3 | 28.5 | -31.9 | 0 | 0 | 0 | 109.1 | P334 | P334-P723 HydrophobicContact CB-CB 3.88Š| ||
| 724 | T | 51 | Low | 78.5 | Confident | 52 Ų | 52 | 39 Ų | 39 | 32% | 0.319 | 21% | 0.213 | S | C | . | . | trans | -126.6 | 131.1 | 178.2 | 52.9 | 0 | 0 | 0 | 0 | 111.5 | P334 S722 R726 | P334-T724 WeakPolarHBondContact CG-O 3.39Å; S722-T724 PolarHBondContact O-N 3.09Å; S722-T724 VanDerWaalsContact O-N 3.08Å; T724-R726 PolarHBondContact O-N 2.99Å | ||
| 725 | T | 47.2 | Very low | 78.5 | Confident | 111 Ų | 111 | 38.1 Ų | 38.1 | 68% | 0.681 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -76.6 | 22.1 | 178.7 | 50.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 726 | R | 56.8 | Low | 78.5 | Confident | 200 Ų | 200 | 40.3 Ų | 40.3 | 76% | 0.755 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -129.7 | 154.8 | -178.5 | -69 | -173.9 | 178.7 | -175.4 | 0 | 109.5 | T724 V728 | T724-R726 PolarHBondContact O-N 2.99Å; R726-V728 WeakPolarHBondContact O-CG2 3.21Å; R726-V728 PolarHBondContact O-N 3.35Å |
| 727 | P | 61.7 | Low | 78.5 | Confident | 75 Ų | 75 | 42.3 Ų | 42.3 | 49% | 0.487 | 23% | 0.229 | S | C | . | . | trans | -49.5 | 125.9 | 175.6 | -27.3 | 35.2 | 0 | 0 | 0 | 111.2 | Q600 G729 | Q600-P727 HydrophobicContact CG-CB 4.18Å; P727-G729 VanDerWaalsContact C-N 3.28Å; P727-G729 PolarHBondContact O-N 3.26Å | ||
| 728 | V | 78.4 | Confident | 78.6 | Confident | 25 Ų | 25 | 46.1 Ų | 46.1 | 15% | 0.152 | 25% | 0.254 | C | S | . | . | trans | -83.3 | -10.8 | -166.5 | -175.5 | 0 | 0 | 0 | 0 | 112 | G597 G598 N719 L720 R726 | G597-V728 VanDerWaalsContact O-CB 3.27Å; G597-V728 WeakPolarHBondContact O-CB 3.27Å; G597-V728 WeakPolarHBondContact O-CG2 3.45Å; G598-V728 PolarHBondContact O-N 3Å; N719-V728 HydrophobicContact CB-CG1 3.41Å; N719-V728 VanDerWaalsContact CB-CG1 3.41Å; N719-V728 PolarHBondContact ND2-O 3.15Å; L720-V728 HydrophobicContact CD2-CB 4.5Å; L720-V728 HydrophobicContact CD2-CG1 3.9Å; R726-V728 WeakPolarHBondContact O-CG2 3.21Å; R726-V728 PolarHBondContact O-N 3.35Å | ||
| 729 | G | 87.4 | Confident | 78.9 | Confident | 8 Ų | 8 | 47 Ų | 47 | 8% | 0.082 | 26% | 0.255 | C | S | . | . | trans | 178.5 | 171 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111 | V599 Q600 P695 P727 | V599-G729 WeakPolarHBondContact CA-O 3.47Å; Q600-G729 PolarHBondContact N-O 2.98Å; P695-G729 WeakPolarHBondContact O-CA 3.44Å; P727-G729 VanDerWaalsContact C-N 3.28Å; P727-G729 PolarHBondContact O-N 3.26Å | ||
| 730 | Q | 91.4 | Very high | 79.2 | Confident | 32 Ų | 32 | 47.6 Ų | 47.6 | 15% | 0.15 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 139.7 | 167.8 | -172.2 | -175.2 | 10.6 | 0 | 0 | 109.9 | Q600 P695 L696 L697 V732 | Q600-Q730 HydrophobicContact CB-CG 4.32Å; Q600-Q730 CarbonylContact O-C 3.57Å; Q600-Q730 WeakPolarHBondContact O-CA 3.39Å; P695-Q730 PolarHBondContact O-N 3.48Å; L696-Q730 WeakPolarHBondContact CA-O 3.32Å; L696-Q730 HydrophobicContact CD1-CB 4.2Å; L696-Q730 HydrophobicContact CD1-CG 4.46Å; L697-Q730 PolarHBondContact N-O 3.12Å; Q730-V732 HydrophobicContact CG-CG2 4.11Å |
| 731 | S | 94.9 | Very high | 79.7 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 113 | 174.6 | -166.6 | 0 | 0 | 0 | 0 | 109.5 | Q600 D602 L697 H699 F713 | Q600-S731 PolarHBondContact O-N 3.03Å; D602-S731 PolarHBondContact N-O 2.99Å; L697-S731 CarbonylContact O-C 3.6Å; L697-S731 WeakPolarHBondContact O-CA 3.35Å; H699-S731 PolarHBondContact NE2-OG 2.75Å; F713-S731 WeakPolarHBondContact CE1-OG 3.44Å; F713-S731 WeakPolarHBondContact CZ-OG 3.32Å |
| 732 | V | 95.2 | Very high | 80.9 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 125.7 | 179.6 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | D602 R604 L619 L696 L697 I698 H699 Q730 F734 | D602-V732 HydrophobicContact CB-CG1 4.44Å; D602-V732 HydrophobicContact CB-CG2 4.17Å; R604-V732 HydrophobicContact CG-CG1 4.28Å; L619-V732 HydrophobicContact CD1-CG2 4.07Å; L619-V732 HydrophobicContact CD2-CB 4.18Å; L619-V732 HydrophobicContact CD2-CG1 4.2Å; L619-V732 HydrophobicContact CD2-CG2 3.95Å; L696-V732 HydrophobicContact CD1-CG2 3.96Å; L697-V732 PolarHBondContact O-N 2.71Å; I698-V732 CarbonylContact C-O 3.52Å; I698-V732 WeakPolarHBondContact CA-O 3.29Å; H699-V732 PolarHBondContact N-O 2.72Å; Q730-V732 HydrophobicContact CG-CG2 4.11Å; V732-F734 HydrophobicContact CG1-CD1 4.16Å; V732-F734 HydrophobicContact CG1-CE1 3.81Å |
| 733 | V | 96 | Very high | 82.9 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.024 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 124.8 | 178.6 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | D602 V603 R604 H699 F702 F709 L746 | D602-V733 PolarHBondContact O-N 3.49Å; V603-V733 WeakPolarHBondContact CA-O 3.11Å; V603-V733 HydrophobicContact CG1-CB 4.47Å; V603-V733 HydrophobicContact CG2-CB 4.26Å; V603-V733 HydrophobicContact CG2-CG2 4.48Å; R604-V733 PolarHBondContact N-O 2.91Å; H699-V733 HydrophobicContact CB-CB 4.44Å; H699-V733 HydrophobicContact CB-CG1 4.23Å; H699-V733 HydrophobicContact CB-CG2 4.31Å; F702-V733 HydrophobicContact CE1-CG1 3.82Å; F702-V733 HydrophobicContact CZ-CG1 3.8Å; F709-V733 HydrophobicContact CE2-CG1 4.24Å; F709-V733 HydrophobicContact CE2-CG2 4.32Å; F709-V733 HydrophobicContact CZ-CG1 4.42Å; F709-V733 HydrophobicContact CZ-CG2 3.96Å; V733-L746 HydrophobicContact CG1-CD1 4.31Å |
| 734 | F | 95.6 | Very high | 85 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 118.1 | 167.2 | -63.7 | -11 | 0 | 0 | 0 | 108.7 | R604 K612 H615 L616 H699 Y700 V732 | R604-F734 HydrophobicContact CB-CD1 4.2Å; R604-F734 WeakPolarHBondContact O-CA 3.43Å; K612-F734 HydrophobicContact CB-CD2 4.18Å; K612-F734 HydrophobicContact CB-CE2 4.38Å; K612-F734 HydrophobicContact CD-CB 4.46Å; K612-F734 HydrophobicContact CD-CD2 4.15Å; K612-F734 HydrophobicContact CG-CD2 4.05Å; H615-F734 HydrophobicContact CB-CE1 4.41Å; H615-F734 HydrophobicContact CB-CZ 4.19Å; L616-F734 HydrophobicContact CB-CE2 4.18Å; L616-F734 HydrophobicContact CB-CZ 4.23Å; H699-F734 PolarHBondContact O-N 3.43Å; Y700-F734 AromaticContact CD2-CD2 3.95Å; Y700-F734 HydrophobicContact CD2-CD2 3.95Å; Y700-F734 HydrophobicContact CD2-CE2 4.11Å; Y700-F734 HydrophobicContact CE2-CD2 4.3Å; Y700-F734 HydrophobicContact CE2-CE2 4.36Å; V732-F734 HydrophobicContact CG1-CD1 4.16Å; V732-F734 HydrophobicContact CG1-CE1 3.81Å |
| 735 | A | 94.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 137.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V603 R604 V605 V606 F702 I743 | V603-A735 HydrophobicContact CG1-CB 4.22Å; R604-A735 PolarHBondContact O-N 2.89Å; V605-A735 CarbonylContact C-O 3.48Å; V605-A735 VanDerWaalsContact CA-O 3.24Å; V605-A735 WeakPolarHBondContact CA-O 3.47Å; V606-A735 PolarHBondContact N-O 2.89Å; F702-A735 HydrophobicContact CE2-CB 3.56Å; F702-A735 HydrophobicContact CZ-CB 3.87Å; A735-I743 HydrophobicContact CB-CG1 4.36Å |
| 736 | K | 92.6 | Very high | 89.3 | Confident | 55 Ų | 55 | 37.1 Ų | 37.1 | 24% | 0.239 | 19% | 0.187 | C | C | . | . | trans | -87.6 | 150.3 | 172.5 | -58.5 | -160.5 | 176.5 | -158.3 | 0 | 110.8 | V606 E609 T738 D739 I743 | V606-K736 WeakPolarHBondContact O-CA 3.44Å; E609-K736 WeakPolarHBondContact OE1-CE 3.33Å; E609-K736 IonicContact OE1-NZ 3.43Å; E609-K736 PolarHBondContact OE1-NZ 2.67Å; K736-T738 WeakPolarHBondContact CB-OG1 3.42Å; K736-T738 PolarHBondContact O-N 3.05Å; K736-D739 WeakPolarHBondContact CB-OD2 3.45Å; K736-D739 PolarHBondContact N-OD2 3.07Å; K736-D739 WeakPolarHBondContact O-CB 3.22Å; K736-D739 PolarHBondContact O-N 2.95Å; K736-I743 WeakPolarHBondContact O-CD1 3.44Å | ||
| 737 | P | 91.6 | Very high | 91.2 | Very high | 42 Ų | 42 | 27.6 Ų | 27.6 | 27% | 0.273 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -7.3 | 171.1 | -24 | 33.7 | 0 | 0 | 0 | 115 | V605 R768 | V605-P737 HydrophobicContact CG1-CG 3.81Å; P737-R768 PolarHBondContact O-NE 3.38Å; P737-R768 PolarHBondContact O-NH2 3.14Å |
| 738 | T | 90.9 | Very high | 92.7 | Very high | 91 Ų | 91 | 25.2 Ų | 25.2 | 56% | 0.558 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -13.2 | 173 | 50.1 | 0 | 0 | 0 | 0 | 113.8 | K736 V740 | K736-T738 WeakPolarHBondContact CB-OG1 3.42Å; K736-T738 PolarHBondContact O-N 3.05Å; T738-V740 PolarHBondContact O-N 2.88Å |
| 739 | D | 91.6 | Very high | 93.4 | Very high | 43 Ų | 43 | 24.6 Ų | 24.6 | 23% | 0.23 | 13% | 0.129 | C | C | . | . | trans | -80.8 | 37.4 | -175.3 | -62.4 | -31.2 | 0 | 0 | 0 | 112.7 | F702 K736 E741 N742 I743 | F702-D739 HydrophobicContact CD2-CB 3.79Å; F702-D739 VanDerWaalsContact CD2-OD2 3.29Å; F702-D739 WeakPolarHBondContact CD2-OD2 3.44Å; F702-D739 HydrophobicContact CE2-CB 3.65Å; F702-D739 WeakPolarHBondContact CE2-OD2 3.46Å; K736-D739 WeakPolarHBondContact CB-OD2 3.45Å; K736-D739 PolarHBondContact N-OD2 3.07Å; K736-D739 WeakPolarHBondContact O-CB 3.22Å; K736-D739 PolarHBondContact O-N 2.95Å; D739-E741 PolarHBondContact O-N 2.9Å; D739-N742 PolarHBondContact O-N 2.83Å; D739-I743 HydrophobicContact CB-CD1 4.37Å; D739-I743 HydrophobicContact CB-CG1 4.38Å; D739-I743 WeakPolarHBondContact O-CG1 3.4Å; D739-I743 PolarHBondContact O-N 3.29Å | ||
| 740 | V | 91.6 | Very high | 93.6 | Very high | 21 Ų | 21 | 25.2 Ų | 25.2 | 13% | 0.127 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -47.6 | -44.1 | -168.9 | -169.8 | 0 | 0 | 0 | 0 | 112.3 | T738 N742 I743 W744 L765 R768 | T738-V740 PolarHBondContact O-N 2.88Å; V740-N742 PolarHBondContact O-N 2.66Å; V740-I743 PolarHBondContact O-N 3.01Å; V740-W744 WeakPolarHBondContact O-CB 3.3Å; V740-W744 PolarHBondContact O-N 2.98Å; V740-L765 HydrophobicContact CG1-CD2 3.78Å; V740-R768 HydrophobicContact CG1-CB 4.24Å; V740-R768 HydrophobicContact CG1-CG 4.49Å; V740-R768 HydrophobicContact CG2-CB 4.19Å; V740-R768 HydrophobicContact CG2-CG 3.7Å |
| 741 | E | 92.4 | Very high | 93.5 | Very high | 84 Ų | 84 | 24.4 Ų | 24.4 | 39% | 0.393 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -63.1 | -37.8 | -179.4 | -179.8 | 60.4 | -166.5 | 0 | 0 | 113.5 | D739 K745 H796 | D739-E741 PolarHBondContact O-N 2.9Å; E741-K745 WeakPolarHBondContact O-CD 3.38Å; E741-K745 WeakPolarHBondContact O-CG 3.41Å; E741-K745 PolarHBondContact O-N 2.88Å; E741-K745 WeakPolarHBondContact OE1-CE 3.46Å; E741-K745 IonicContact OE1-NZ 3.77Å; E741-K745 PolarHBondContact OE1-NZ 2.95Å; E741-H796 VanDerWaalsContact CD-NE2 3.31Å; E741-H796 IonicContact OE1-CE1 3.35Å; E741-H796 IonicContact OE1-NE2 3.95Å; E741-H796 PolarHBondContact OE1-NE2 3.42Å; E741-H796 VanDerWaalsContact OE1-NE2 3.16Å; E741-H796 IonicContact OE2-CD2 3.17Å; E741-H796 IonicContact OE2-CE1 2.86Å; E741-H796 IonicContact OE2-NE2 2.71Å; E741-H796 PolarHBondContact OE2-NE2 3.34Å |
| 742 | N | 93.5 | Very high | 93.2 | Very high | 24 Ų | 24 | 28.6 Ų | 28.6 | 13% | 0.128 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -86.9 | -32.6 | 178.7 | -69.6 | -43.1 | 0 | 0 | 0 | 111.8 | F702 D739 V740 W744 K745 L746 | F702-N742 HydrophobicContact CD1-CB 3.68Å; F702-N742 HydrophobicContact CD2-CB 4.01Å; F702-N742 HydrophobicContact CE1-CB 3.62Å; F702-N742 HydrophobicContact CE2-CB 3.92Å; F702-N742 HydrophobicContact CG-CB 3.89Å; F702-N742 HydrophobicContact CZ-CB 3.74Å; D739-N742 PolarHBondContact O-N 2.83Å; V740-N742 PolarHBondContact O-N 2.66Å; N742-W744 VanDerWaalsContact C-N 3.29Å; N742-W744 PolarHBondContact O-N 2.91Å; N742-K745 PolarHBondContact O-N 2.98Å; N742-L746 WeakPolarHBondContact O-CB 3.49Å; N742-L746 PolarHBondContact O-N 3.04Å |
| 743 | I | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.1 | -39.3 | 169.9 | -70 | 174.3 | 0 | 0 | 0 | 110.5 | A735 K736 D739 V740 S747 L761 I764 L765 | A735-I743 HydrophobicContact CB-CG1 4.36Å; K736-I743 WeakPolarHBondContact O-CD1 3.44Å; D739-I743 HydrophobicContact CB-CD1 4.37Å; D739-I743 HydrophobicContact CB-CG1 4.38Å; D739-I743 WeakPolarHBondContact O-CG1 3.4Å; D739-I743 PolarHBondContact O-N 3.29Å; V740-I743 PolarHBondContact O-N 3.01Å; I743-S747 VanDerWaalsContact O-CB 3.29Å; I743-S747 WeakPolarHBondContact O-CB 3.47Å; I743-S747 PolarHBondContact O-N 3.28Å; I743-S747 PolarHBondContact O-OG 3.29Å; I743-L761 HydrophobicContact CG2-CB 3.86Å; I743-L761 HydrophobicContact CG2-CD2 4.21Å; I743-L761 HydrophobicContact CG2-CG 4.43Å; I743-I764 HydrophobicContact CD1-CD1 4.45Å; I743-I764 HydrophobicContact CD1-CG2 4.21Å; I743-L765 HydrophobicContact CB-CD2 4.42Å; I743-L765 HydrophobicContact CG2-CD1 4.38Å; I743-L765 HydrophobicContact CG2-CD2 3.99Å; I743-L765 HydrophobicContact CG2-CG 4.01Å |
| 744 | W | 95.1 | Very high | 92.3 | Very high | 25 Ų | 25 | 34 Ų | 34 | 10% | 0.095 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.5 | -48.9 | 174.6 | -166.5 | 93.7 | 0 | 0 | 0 | 111.2 | V740 N742 L746 S747 D748 L765 L794 H796 L950 | V740-W744 WeakPolarHBondContact O-CB 3.3Å; V740-W744 PolarHBondContact O-N 2.98Å; N742-W744 VanDerWaalsContact C-N 3.29Å; N742-W744 PolarHBondContact O-N 2.91Å; W744-L746 PolarHBondContact O-N 3.17Å; W744-S747 PolarHBondContact O-N 3.47Å; W744-S747 VanDerWaalsContact O-N 3.16Å; W744-D748 HydrophobicContact CE3-CB 4.09Å; W744-D748 HydrophobicContact CH2-CB 4.09Å; W744-D748 HydrophobicContact CZ3-CB 3.78Å; W744-D748 WeakPolarHBondContact O-CB 3.44Å; W744-D748 PolarHBondContact O-N 3.29Å; W744-L765 HydrophobicContact CB-CD1 4.34Å; W744-L765 HydrophobicContact CB-CD2 3.85Å; W744-L765 HydrophobicContact CG-CD1 4.44Å; W744-L765 HydrophobicContact CG-CD2 4.44Å; W744-L794 PolarHBondContact NE1-O 2.84Å; W744-H796 HydrophobicContact CD2-CB 4Å; W744-H796 AromaticContact CD2-CD2 3.67Å; W744-H796 HydrophobicContact CE3-CB 4.33Å; W744-H796 AromaticContact CE3-CD2 3.72Å; W744-H796 AromaticContact CG-CD2 3.95Å; W744-H796 HydrophobicContact CH2-CB 4.12Å; W744-H796 HydrophobicContact CZ2-CB 3.75Å; W744-H796 HydrophobicContact CZ3-CB 4.39Å; W744-L950 HydrophobicContact CD2-CD1 4.09Å; W744-L950 HydrophobicContact CG-CD1 4.32Å; W744-L950 HydrophobicContact CZ2-CB 3.96Å; W744-L950 HydrophobicContact CZ2-CD1 3.96Å |
| 745 | K | 94.6 | Very high | 91.9 | Very high | 47 Ų | 47 | 36.2 Ų | 36.2 | 20% | 0.204 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.6 | -37.9 | 179 | -70.7 | 165.2 | -171.6 | 163.3 | 0 | 113.2 | W706 E741 N742 F749 | W706-K745 HydrophobicContact CB-CD 4.03Å; W706-K745 HydrophobicContact CD2-CB 4.01Å; W706-K745 HydrophobicContact CD2-CD 3.88Å; W706-K745 HydrophobicContact CD2-CG 4.41Å; W706-K745 HydrophobicContact CE3-CB 3.99Å; W706-K745 HydrophobicContact CE3-CD 4.12Å; W706-K745 HydrophobicContact CG-CD 3.83Å; W706-K745 HydrophobicContact CH2-CB 3.95Å; W706-K745 HydrophobicContact CZ2-CB 3.94Å; W706-K745 HydrophobicContact CZ3-CB 3.95Å; E741-K745 WeakPolarHBondContact O-CD 3.38Å; E741-K745 WeakPolarHBondContact O-CG 3.41Å; E741-K745 PolarHBondContact O-N 2.88Å; E741-K745 WeakPolarHBondContact OE1-CE 3.46Å; E741-K745 IonicContact OE1-NZ 3.77Å; E741-K745 PolarHBondContact OE1-NZ 2.95Å; N742-K745 PolarHBondContact O-N 2.98Å; K745-F749 VanDerWaalsContact O-CB 3.29Å; K745-F749 WeakPolarHBondContact O-CB 3.39Å; K745-F749 PolarHBondContact O-N 3.48Å |
| 746 | L | 95 | Very high | 91.6 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.8 | -43.5 | 171.8 | -79.7 | 172 | 0 | 0 | 0 | 111.9 | V603 F702 W706 F709 V733 N742 W744 D748 F749 Y750 | V603-L746 HydrophobicContact CG1-CD1 4.34Å; V603-L746 HydrophobicContact CG2-CD1 4.14Å; F702-L746 HydrophobicContact CE1-CD1 3.72Å; F702-L746 HydrophobicContact CZ-CD1 3.7Å; W706-L746 HydrophobicContact CH2-CD2 4.02Å; W706-L746 HydrophobicContact CH2-CG 4.17Å; W706-L746 HydrophobicContact CZ3-CD2 4.42Å; W706-L746 HydrophobicContact CZ3-CG 4.28Å; F709-L746 HydrophobicContact CE1-CD2 4.12Å; F709-L746 HydrophobicContact CZ-CD2 4.22Å; V733-L746 HydrophobicContact CG1-CD1 4.31Å; N742-L746 WeakPolarHBondContact O-CB 3.49Å; N742-L746 PolarHBondContact O-N 3.04Å; W744-L746 PolarHBondContact O-N 3.17Å; L746-D748 VanDerWaalsContact C-N 3.34Å; L746-D748 PolarHBondContact O-N 2.76Å; L746-F749 WeakPolarHBondContact O-CB 3.31Å; L746-F749 PolarHBondContact O-N 3.17Å; L746-Y750 VanDerWaalsContact O-CD2 3.26Å; L746-Y750 WeakPolarHBondContact O-CD2 3.45Å; L746-Y750 PolarHBondContact O-N 2.69Å |
| 747 | S | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.9 | -40.5 | 179.2 | -60.2 | 0 | 0 | 0 | 0 | 111.9 | I743 W744 Y750 M751 L761 | I743-S747 VanDerWaalsContact O-CB 3.29Å; I743-S747 WeakPolarHBondContact O-CB 3.47Å; I743-S747 PolarHBondContact O-N 3.28Å; I743-S747 PolarHBondContact O-OG 3.29Å; W744-S747 PolarHBondContact O-N 3.47Å; W744-S747 VanDerWaalsContact O-N 3.16Å; S747-Y750 PolarHBondContact O-N 2.97Å; S747-M751 VanDerWaalsContact O-CG 3.31Å; S747-M751 WeakPolarHBondContact O-CG 3.47Å; S747-M751 PolarHBondContact O-N 2.86Å; S747-M751 VanDerWaalsContact O-N 3.08Å; S747-L761 WeakPolarHBondContact OG-CB 3.35Å |
| 748 | D | 93.1 | Very high | 91.5 | Very high | 25 Ų | 25 | 41 Ų | 41 | 13% | 0.134 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 173.3 | 177.6 | 56.2 | 0 | 0 | 0 | 111.6 | W744 L746 M751 K752 L950 | W744-D748 HydrophobicContact CE3-CB 4.09Å; W744-D748 HydrophobicContact CH2-CB 4.09Å; W744-D748 HydrophobicContact CZ3-CB 3.78Å; W744-D748 WeakPolarHBondContact O-CB 3.44Å; W744-D748 PolarHBondContact O-N 3.29Å; L746-D748 VanDerWaalsContact C-N 3.34Å; L746-D748 PolarHBondContact O-N 2.76Å; D748-M751 PolarHBondContact O-N 3.45Å; D748-K752 WeakPolarHBondContact O-CB 3.25Å; D748-K752 WeakPolarHBondContact O-CG 3.31Å; D748-K752 PolarHBondContact O-N 2.76Å; D748-K752 WeakPolarHBondContact OD1-CE 3.06Å; D748-K752 IonicContact OD1-NZ 3.39Å; D748-K752 PolarHBondContact OD1-NZ 3.19Å; D748-K752 IonicContact OD2-NZ 2.74Å; D748-K752 PolarHBondContact OD2-NZ 3.05Å; D748-L950 HydrophobicContact CB-CD1 3.91Å; D748-L950 HydrophobicContact CB-CG 4.48Å |
| 749 | F | 93.2 | Very high | 91.5 | Very high | 12 Ų | 12 | 38.9 Ų | 38.9 | 5% | 0.053 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.6 | -48.5 | 175.5 | -174.1 | -88.6 | 0 | 0 | 0 | 112.2 | L591 E592 V595 L601 K745 L746 M751 K752 H753 L755 | L591-F749 HydrophobicContact CD1-CE1 4.04Å; L591-F749 HydrophobicContact CD1-CE2 4.34Å; L591-F749 HydrophobicContact CD1-CZ 3.78Å; L591-F749 HydrophobicContact CD2-CD1 4.42Å; L591-F749 HydrophobicContact CD2-CD2 3.74Å; L591-F749 HydrophobicContact CD2-CE1 4.25Å; L591-F749 HydrophobicContact CD2-CE2 3.52Å; L591-F749 HydrophobicContact CD2-CG 4.19Å; L591-F749 HydrophobicContact CD2-CZ 3.8Å; L591-F749 HydrophobicContact CG-CD2 4.25Å; L591-F749 HydrophobicContact CG-CE1 4.09Å; L591-F749 HydrophobicContact CG-CE2 3.5Å; L591-F749 VanDerWaalsContact CG-CE2 3.5Å; L591-F749 HydrophobicContact CG-CZ 3.42Å; L591-F749 VanDerWaalsContact CG-CZ 3.42Å; E592-F749 VanDerWaalsContact OE1-CE2 3.31Å; E592-F749 WeakPolarHBondContact OE1-CE2 3.41Å; V595-F749 HydrophobicContact CG2-CE1 3.69Å; V595-F749 HydrophobicContact CG2-CZ 3.49Å; V595-F749 VanDerWaalsContact CG2-CZ 3.49Å; L601-F749 HydrophobicContact CD1-CD1 4.18Å; L601-F749 HydrophobicContact CD1-CE1 3.78Å; K745-F749 VanDerWaalsContact O-CB 3.29Å; K745-F749 WeakPolarHBondContact O-CB 3.39Å; K745-F749 PolarHBondContact O-N 3.48Å; L746-F749 WeakPolarHBondContact O-CB 3.31Å; L746-F749 PolarHBondContact O-N 3.17Å; F749-M751 PolarHBondContact O-N 3.43Å; F749-K752 PolarHBondContact O-N 3.26Å; F749-H753 AromaticContact CD1-CD2 3.84Å; F749-H753 AromaticContact CD2-CD2 3.64Å; F749-H753 AromaticContact CD2-NE2 3.89Å; F749-H753 AromaticContact CE1-CD2 3.54Å; F749-H753 AromaticContact CE2-CD2 3.34Å; F749-H753 WeakPolarHBondContact CE2-CD2 3.46Å; F749-H753 AromaticContact CE2-NE2 3.29Å; F749-H753 VanDerWaalsContact CE2-NE2 3.29Å; F749-H753 WeakPolarHBondContact CE2-NE2 3.27Å; F749-H753 AromaticContact CG-CD2 3.87Å; F749-H753 AromaticContact CZ-CD2 3.27Å; F749-H753 WeakPolarHBondContact CZ-CD2 3.39Å; F749-H753 AromaticContact CZ-NE2 3.46Å; F749-H753 WeakPolarHBondContact CZ-NE2 3.42Å; F749-H753 WeakPolarHBondContact O-CB 3.45Å; F749-H753 PolarHBondContact O-CD2 3.17Å; F749-H753 VanDerWaalsContact O-CD2 3.31Å; F749-H753 PolarHBondContact O-N 3.35Å; F749-L755 HydrophobicContact CD1-CD1 4.44Å; F749-L755 HydrophobicContact CE1-CD1 4.32Å |
| 750 | Y | 92.9 | Very high | 91.5 | Very high | 20 Ų | 20 | 43 Ų | 43 | 8% | 0.078 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.6 | -48.8 | 178.2 | -92.1 | -119.3 | 0 | 0 | 0 | 111.7 | L601 V603 L746 S747 K752 H753 K754 L755 P756 P758 | L601-Y750 HydrophobicContact CB-CE2 4.18Å; L601-Y750 WeakPolarHBondContact CB-OH 3.44Å; L601-Y750 HydrophobicContact CD1-CE2 4.09Å; L601-Y750 PolarHBondContact O-OH 3.06Å; V603-Y750 HydrophobicContact CG2-CE2 4.23Å; L746-Y750 VanDerWaalsContact O-CD2 3.26Å; L746-Y750 WeakPolarHBondContact O-CD2 3.45Å; L746-Y750 PolarHBondContact O-N 2.69Å; S747-Y750 PolarHBondContact O-N 2.97Å; Y750-K752 PolarHBondContact O-N 2.94Å; Y750-H753 PolarHBondContact O-N 3.33Å; Y750-K754 PolarHBondContact O-N 2.93Å; Y750-L755 HydrophobicContact CD1-CB 3.48Å; Y750-L755 VanDerWaalsContact CD1-CB 3.48Å; Y750-L755 HydrophobicContact CD1-CD1 4.14Å; Y750-L755 HydrophobicContact CD1-CG 4.46Å; Y750-L755 HydrophobicContact CD2-CD1 4.03Å; Y750-L755 HydrophobicContact CE1-CB 4.07Å; Y750-L755 HydrophobicContact CE1-CD1 4.32Å; Y750-L755 HydrophobicContact CE2-CD1 4.22Å; Y750-L755 HydrophobicContact CG-CB 3.83Å; Y750-L755 HydrophobicContact CG-CD1 4.01Å; Y750-L755 PolarHBondContact O-N 2.73Å; Y750-P756 WeakPolarHBondContact CD1-O 3.48Å; Y750-P758 HydrophobicContact CD1-CB 4.36Å; Y750-P758 HydrophobicContact CD1-CG 4.39Å; Y750-P758 HydrophobicContact CG-CG 4.37Å |
| 751 | M | 89.3 | Confident | 91.7 | Very high | 16 Ų | 16 | 42.4 Ų | 42.4 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.1 | -44.8 | 177.9 | -68.8 | -64.2 | -53.5 | 0 | 0 | 112 | S747 D748 F749 H753 K754 R757 E948 L950 | S747-M751 VanDerWaalsContact O-CG 3.31Å; S747-M751 WeakPolarHBondContact O-CG 3.47Å; S747-M751 PolarHBondContact O-N 2.86Å; S747-M751 VanDerWaalsContact O-N 3.08Å; D748-M751 PolarHBondContact O-N 3.45Å; F749-M751 PolarHBondContact O-N 3.43Å; M751-H753 VanDerWaalsContact C-N 3.26Å; M751-H753 PolarHBondContact O-N 3.45Å; M751-K754 PolarHBondContact O-N 2.69Å; M751-R757 HydrophobicContact SD-CB 4.37Å; M751-R757 HydrophobicContact SD-CG 3.97Å; M751-E948 HydrophobicContact CE-CB 3.95Å; M751-E948 HydrophobicContact CE-CG 4.39Å; M751-L950 HydrophobicContact CG-CD2 3.95Å |
| 752 | K | 87.4 | Confident | 91.8 | Very high | 88 Ų | 88 | 39 Ų | 39 | 38% | 0.383 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.8 | -27.7 | 179.9 | -79.8 | 168.1 | 174.8 | 158.5 | 0 | 113.9 | I566 D748 F749 Y750 | I566-K752 HydrophobicContact CD1-CB 4.05Å; I566-K752 HydrophobicContact CD1-CG 4.49Å; D748-K752 WeakPolarHBondContact O-CB 3.25Å; D748-K752 WeakPolarHBondContact O-CG 3.31Å; D748-K752 PolarHBondContact O-N 2.76Å; D748-K752 WeakPolarHBondContact OD1-CE 3.06Å; D748-K752 IonicContact OD1-NZ 3.39Å; D748-K752 PolarHBondContact OD1-NZ 3.19Å; D748-K752 IonicContact OD2-NZ 2.74Å; D748-K752 PolarHBondContact OD2-NZ 3.05Å; F749-K752 PolarHBondContact O-N 3.26Å; Y750-K752 PolarHBondContact O-N 2.94Å |
| 753 | H | 88 | Confident | 91.8 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 7% | 0.065 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | 9.2 | -178.1 | -76.9 | -67.1 | 0 | 0 | 0 | 114.6 | W567 E592 F749 Y750 M751 L755 | W567-H753 PolarHBondContact O-CE1 3.29Å; W567-H753 VanDerWaalsContact O-CE1 3.27Å; W567-H753 PolarHBondContact O-ND1 2.98Å; W567-H753 VanDerWaalsContact O-ND1 3.12Å; E592-H753 IonicContact OE1-CE1 2.9Å; E592-H753 IonicContact OE1-NE2 3.7Å; E592-H753 PolarHBondContact OE1-NE2 3.16Å; E592-H753 VanDerWaalsContact OE1-NE2 3.07Å; E592-H753 IonicContact OE2-CE1 3.71Å; E592-H753 PolarHBondContact OE2-CE1 2.59Å; E592-H753 IonicContact OE2-NE2 2.74Å; E592-H753 PolarHBondContact OE2-NE2 3.12Å; F749-H753 AromaticContact CD1-CD2 3.84Å; F749-H753 AromaticContact CD2-CD2 3.64Å; F749-H753 AromaticContact CD2-NE2 3.89Å; F749-H753 AromaticContact CE1-CD2 3.54Å; F749-H753 AromaticContact CE2-CD2 3.34Å; F749-H753 WeakPolarHBondContact CE2-CD2 3.46Å; F749-H753 AromaticContact CE2-NE2 3.29Å; F749-H753 VanDerWaalsContact CE2-NE2 3.29Å; F749-H753 WeakPolarHBondContact CE2-NE2 3.27Å; F749-H753 AromaticContact CG-CD2 3.87Å; F749-H753 AromaticContact CZ-CD2 3.27Å; F749-H753 WeakPolarHBondContact CZ-CD2 3.39Å; F749-H753 AromaticContact CZ-NE2 3.46Å; F749-H753 WeakPolarHBondContact CZ-NE2 3.42Å; F749-H753 WeakPolarHBondContact O-CB 3.45Å; F749-H753 PolarHBondContact O-CD2 3.17Å; F749-H753 VanDerWaalsContact O-CD2 3.31Å; F749-H753 PolarHBondContact O-N 3.35Å; Y750-H753 PolarHBondContact O-N 3.33Å; M751-H753 VanDerWaalsContact C-N 3.26Å; M751-H753 PolarHBondContact O-N 3.45Å; H753-L755 HydrophobicContact CB-CD1 4.46Å; H753-L755 HydrophobicContact CB-CG 4.01Å; H753-L755 PolarHBondContact O-N 2.74Å |
| 754 | K | 85.2 | Confident | 91.7 | Very high | 102 Ų | 102 | 40.4 Ų | 40.4 | 44% | 0.443 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 28.4 | -174.5 | -61.8 | -177.6 | 165.4 | -170.9 | 0 | 113.9 | D570 Y750 M751 | D570-K754 WeakPolarHBondContact OD2-CE 3.42Å; D570-K754 IonicContact OD2-NZ 2.69Å; D570-K754 PolarHBondContact OD2-NZ 3.38Å; Y750-K754 PolarHBondContact O-N 2.93Å; M751-K754 PolarHBondContact O-N 2.69Å |
| 755 | L | 87.1 | Confident | 91.6 | Very high | 48 Ų | 48 | 39.3 Ų | 39.3 | 25% | 0.251 | 21% | 0.212 | S | C | . | . | trans | -72 | 157.2 | 170.6 | -56.5 | -176.3 | 0 | 0 | 0 | 109.2 | L601 F749 Y750 H753 R757 | L601-L755 HydrophobicContact CD1-CD1 3.9Å; F749-L755 HydrophobicContact CD1-CD1 4.44Å; F749-L755 HydrophobicContact CE1-CD1 4.32Å; Y750-L755 HydrophobicContact CD1-CB 3.48Å; Y750-L755 VanDerWaalsContact CD1-CB 3.48Å; Y750-L755 HydrophobicContact CD1-CD1 4.14Å; Y750-L755 HydrophobicContact CD1-CG 4.46Å; Y750-L755 HydrophobicContact CD2-CD1 4.03Å; Y750-L755 HydrophobicContact CE1-CB 4.07Å; Y750-L755 HydrophobicContact CE1-CD1 4.32Å; Y750-L755 HydrophobicContact CE2-CD1 4.22Å; Y750-L755 HydrophobicContact CG-CB 3.83Å; Y750-L755 HydrophobicContact CG-CD1 4.01Å; Y750-L755 PolarHBondContact O-N 2.73Å; H753-L755 HydrophobicContact CB-CD1 4.46Å; H753-L755 HydrophobicContact CB-CG 4.01Å; H753-L755 PolarHBondContact O-N 2.74Å; L755-R757 PolarHBondContact O-N 2.96Å | ||
| 756 | P | 88.6 | Confident | 91.6 | Very high | 110 Ų | 110 | 38.2 Ų | 38.2 | 71% | 0.714 | 21% | 0.21 | S | C | * | . | trans | -50.9 | 125 | -177.8 | -28.9 | 36.2 | 0 | 0 | 0 | 112.3 | Y750 P758 | Y750-P756 WeakPolarHBondContact CD1-O 3.48Å; P756-P758 WeakPolarHBondContact O-CD 3.5Å; P756-P758 VanDerWaalsContact O-N 3.1Å | ||
| 757 | R | 89.5 | Confident | 91.4 | Very high | 70 Ų | 70 | 42.5 Ų | 42.5 | 26% | 0.264 | 23% | 0.23 | S | C | . | . | trans | -53.8 | 115.5 | -173.4 | 177.3 | 170.1 | 171 | 86.1 | -13 | 110.2 | M751 L755 G759 L762 H1014 | M751-R757 HydrophobicContact SD-CB 4.37Å; M751-R757 HydrophobicContact SD-CG 3.97Å; L755-R757 PolarHBondContact O-N 2.96Å; R757-G759 VanDerWaalsContact C-N 3.27Å; R757-G759 PolarHBondContact O-N 2.62Å; R757-L762 HydrophobicContact CG-CD1 4.06Å; R757-H1014 VanDerWaalsContact CZ-CD2 3.4Å; R757-H1014 PolarHBondContact NE-CD2 3.42Å; R757-H1014 PolarHBondContact NE-NE2 2.77Å; R757-H1014 PolarHBondContact NH2-CD2 3.08Å | ||
| 758 | P | 92 | Very high | 91.1 | Very high | 17 Ų | 17 | 45.7 Ų | 45.7 | 11% | 0.11 | 24% | 0.242 | C | C | . | . | trans | -83.2 | 68.5 | -165.6 | 33.2 | -36.9 | 0 | 0 | 0 | 111.5 | Y750 P756 H760 L761 L762 | Y750-P758 HydrophobicContact CD1-CB 4.36Å; Y750-P758 HydrophobicContact CD1-CG 4.39Å; Y750-P758 HydrophobicContact CG-CG 4.37Å; P756-P758 WeakPolarHBondContact O-CD 3.5Å; P756-P758 VanDerWaalsContact O-N 3.1Å; P758-H760 VanDerWaalsContact C-N 3.27Å; P758-H760 PolarHBondContact O-N 3.06Å; P758-H760 VanDerWaalsContact O-N 3.12Å; P758-L761 HydrophobicContact CB-CB 4.11Å; P758-L761 HydrophobicContact CB-CD1 3.9Å; P758-L761 HydrophobicContact CB-CG 4Å; P758-L761 HydrophobicContact CG-CB 4.46Å; P758-L761 HydrophobicContact CG-CD1 4.42Å; P758-L761 WeakPolarHBondContact O-CA 3.49Å; P758-L761 WeakPolarHBondContact O-CB 3.11Å; P758-L761 PolarHBondContact O-N 2.78Å; P758-L762 PolarHBondContact O-N 2.86Å | ||
| 759 | G | 90.9 | Very high | 90.9 | Very high | 47 Ų | 47 | 45.3 Ų | 45.3 | 49% | 0.485 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -51.6 | -39.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R757 L762 G763 | R757-G759 VanDerWaalsContact C-N 3.27Å; R757-G759 PolarHBondContact O-N 2.62Å; G759-L762 PolarHBondContact O-N 3.15Å; G759-G763 PolarHBondContact O-N 3.35Å |
| 760 | H | 91.8 | Very high | 90.5 | Very high | 130 Ų | 130 | 47.6 Ų | 47.6 | 60% | 0.602 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -62.8 | -42.6 | 175.5 | -174.3 | -121.7 | 0 | 0 | 0 | 112.8 | P758 L762 G763 I764 | P758-H760 VanDerWaalsContact C-N 3.27Å; P758-H760 PolarHBondContact O-N 3.06Å; P758-H760 VanDerWaalsContact O-N 3.12Å; H760-L762 VanDerWaalsContact C-N 3.35Å; H760-G763 PolarHBondContact O-N 3.38Å; H760-I764 WeakPolarHBondContact O-CG1 3.37Å; H760-I764 PolarHBondContact O-N 3.1Å; H760-I764 VanDerWaalsContact O-N 3.17Å |
| 761 | L | 95 | Very high | 90.3 | Very high | 9 Ų | 9 | 49.9 Ų | 49.9 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65 | -40.4 | 176 | -58.5 | -170.2 | 0 | 0 | 0 | 111.3 | V603 V605 I743 S747 P758 G763 I764 L765 | V603-L761 HydrophobicContact CB-CD1 4.43Å; V603-L761 HydrophobicContact CG1-CD1 4.09Å; V603-L761 HydrophobicContact CG1-CD2 4.16Å; V605-L761 HydrophobicContact CG2-CD2 3.41Å; V605-L761 VanDerWaalsContact CG2-CD2 3.41Å; I743-L761 HydrophobicContact CG2-CB 3.86Å; I743-L761 HydrophobicContact CG2-CD2 4.21Å; I743-L761 HydrophobicContact CG2-CG 4.43Å; S747-L761 WeakPolarHBondContact OG-CB 3.35Å; P758-L761 HydrophobicContact CB-CB 4.11Å; P758-L761 HydrophobicContact CB-CD1 3.9Å; P758-L761 HydrophobicContact CB-CG 4Å; P758-L761 HydrophobicContact CG-CB 4.46Å; P758-L761 HydrophobicContact CG-CD1 4.42Å; P758-L761 WeakPolarHBondContact O-CA 3.49Å; P758-L761 WeakPolarHBondContact O-CB 3.11Å; P758-L761 PolarHBondContact O-N 2.78Å; L761-G763 VanDerWaalsContact C-N 3.31Å; L761-G763 PolarHBondContact O-N 3.24Å; L761-I764 HydrophobicContact CD2-CD1 4.48Å; L761-I764 PolarHBondContact O-N 3.07Å; L761-L765 WeakPolarHBondContact O-CG 3.3Å; L761-L765 PolarHBondContact O-N 3.18Å; L761-L765 VanDerWaalsContact O-N 3.09Å |
| 762 | L | 94.1 | Very high | 89.9 | Confident | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 175.6 | -56.9 | -174.3 | 0 | 0 | 0 | 111.8 | R757 P758 G759 H760 L765 S766 L794 L950 | R757-L762 HydrophobicContact CG-CD1 4.06Å; P758-L762 PolarHBondContact O-N 2.86Å; G759-L762 PolarHBondContact O-N 3.15Å; H760-L762 VanDerWaalsContact C-N 3.35Å; L762-L765 HydrophobicContact CD2-CD1 4.23Å; L762-L765 PolarHBondContact O-N 3.23Å; L762-S766 PolarHBondContact O-N 3.43Å; L762-S766 PolarHBondContact O-OG 2.88Å; L762-S766 VanDerWaalsContact O-OG 3.12Å; L762-L794 HydrophobicContact CB-CD2 4.18Å; L762-L794 HydrophobicContact CD1-CD1 4.36Å; L762-L794 HydrophobicContact CD2-CD1 4.37Å; L762-L950 HydrophobicContact CD2-CD2 3.63Å |
| 763 | G | 93.4 | Very high | 89.4 | Confident | 34 Ų | 34 | 50 Ų | 50 | 35% | 0.351 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.4 | -46 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | G759 H760 L761 L765 S766 Q767 | G759-G763 PolarHBondContact O-N 3.35Å; H760-G763 PolarHBondContact O-N 3.38Å; L761-G763 VanDerWaalsContact C-N 3.31Å; L761-G763 PolarHBondContact O-N 3.24Å; G763-L765 VanDerWaalsContact C-N 3.34Å; G763-L765 PolarHBondContact O-N 2.88Å; G763-S766 WeakPolarHBondContact CA-OG 3.29Å; G763-S766 PolarHBondContact O-N 2.78Å; G763-S766 PolarHBondContact O-OG 3.44Å; G763-Q767 WeakPolarHBondContact O-CB 3.49Å; G763-Q767 PolarHBondContact O-N 2.88Å |
| 764 | I | 94 | Very high | 88.8 | Confident | 20 Ų | 20 | 55.6 Ų | 55.6 | 10% | 0.103 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 175.3 | -63.4 | 163.9 | 0 | 0 | 0 | 110.8 | V605 I743 H760 L761 Q767 R768 | V605-I764 HydrophobicContact CB-CD1 4.34Å; V605-I764 HydrophobicContact CG1-CD1 3.77Å; V605-I764 HydrophobicContact CG2-CD1 3.82Å; I743-I764 HydrophobicContact CD1-CD1 4.45Å; I743-I764 HydrophobicContact CD1-CG2 4.21Å; H760-I764 WeakPolarHBondContact O-CG1 3.37Å; H760-I764 PolarHBondContact O-N 3.1Å; H760-I764 VanDerWaalsContact O-N 3.17Å; L761-I764 HydrophobicContact CD2-CD1 4.48Å; L761-I764 PolarHBondContact O-N 3.07Å; I764-Q767 PolarHBondContact O-N 2.92Å; I764-R768 HydrophobicContact CG2-CG 4.37Å; I764-R768 WeakPolarHBondContact O-CB 3.49Å; I764-R768 VanDerWaalsContact O-CG 3.23Å; I764-R768 WeakPolarHBondContact O-CG 3.05Å; I764-R768 PolarHBondContact O-N 2.95Å |
| 765 | L | 93.9 | Very high | 88.2 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 177.8 | -65.2 | 171.6 | 0 | 0 | 0 | 111.9 | V740 I743 W744 L761 L762 G763 R769 L794 | V740-L765 HydrophobicContact CG1-CD2 3.78Å; I743-L765 HydrophobicContact CB-CD2 4.42Å; I743-L765 HydrophobicContact CG2-CD1 4.38Å; I743-L765 HydrophobicContact CG2-CD2 3.99Å; I743-L765 HydrophobicContact CG2-CG 4.01Å; W744-L765 HydrophobicContact CB-CD1 4.34Å; W744-L765 HydrophobicContact CB-CD2 3.85Å; W744-L765 HydrophobicContact CG-CD1 4.44Å; W744-L765 HydrophobicContact CG-CD2 4.44Å; L761-L765 WeakPolarHBondContact O-CG 3.3Å; L761-L765 PolarHBondContact O-N 3.18Å; L761-L765 VanDerWaalsContact O-N 3.09Å; L762-L765 HydrophobicContact CD2-CD1 4.23Å; L762-L765 PolarHBondContact O-N 3.23Å; G763-L765 VanDerWaalsContact C-N 3.34Å; G763-L765 PolarHBondContact O-N 2.88Å; L765-R769 VanDerWaalsContact O-CG 3.32Å; L765-R769 WeakPolarHBondContact O-CG 3.28Å; L765-R769 PolarHBondContact O-N 2.65Å; L765-L794 HydrophobicContact CB-CD2 4.22Å |
| 766 | S | 92.9 | Very high | 87.2 | Confident | 24 Ų | 24 | 55.6 Ų | 55.6 | 17% | 0.168 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.2 | -40.7 | 177.8 | 48.6 | 0 | 0 | 0 | 0 | 112.9 | L762 G763 R769 L770 | L762-S766 PolarHBondContact O-N 3.43Å; L762-S766 PolarHBondContact O-OG 2.88Å; L762-S766 VanDerWaalsContact O-OG 3.12Å; G763-S766 WeakPolarHBondContact CA-OG 3.29Å; G763-S766 PolarHBondContact O-N 2.78Å; G763-S766 PolarHBondContact O-OG 3.44Å; S766-R769 PolarHBondContact O-N 3.1Å; S766-L770 PolarHBondContact O-N 3.24Å |
| 767 | Q | 91.3 | Very high | 85.9 | Confident | 94 Ų | 94 | 57.8 Ų | 57.8 | 44% | 0.439 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 179.4 | 175.6 | 57.9 | 24.6 | 0 | 0 | 111.1 | G763 I764 R769 L770 E771 | G763-Q767 WeakPolarHBondContact O-CB 3.49Å; G763-Q767 PolarHBondContact O-N 2.88Å; I764-Q767 PolarHBondContact O-N 2.92Å; Q767-R769 VanDerWaalsContact C-N 3.26Å; Q767-R769 PolarHBondContact O-N 3.33Å; Q767-L770 WeakPolarHBondContact O-CB 3.39Å; Q767-L770 PolarHBondContact O-N 3.09Å; Q767-E771 WeakPolarHBondContact CG-OE1 3.5Å; Q767-E771 PolarHBondContact NE2-OE1 3.41Å; Q767-E771 PolarHBondContact O-N 3.19Å; Q767-E771 VanDerWaalsContact O-N 3.16Å |
| 768 | R | 89.8 | Confident | 84.6 | Confident | 67 Ų | 67 | 55.9 Ų | 55.9 | 25% | 0.253 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61 | -32.3 | 178 | -71.7 | -76.4 | -175.9 | -146.1 | 5.1 | 113 | P737 V740 I764 L770 E771 E772 | P737-R768 PolarHBondContact O-NE 3.38Å; P737-R768 PolarHBondContact O-NH2 3.14Å; V740-R768 HydrophobicContact CG1-CB 4.24Å; V740-R768 HydrophobicContact CG1-CG 4.49Å; V740-R768 HydrophobicContact CG2-CB 4.19Å; V740-R768 HydrophobicContact CG2-CG 3.7Å; I764-R768 HydrophobicContact CG2-CG 4.37Å; I764-R768 WeakPolarHBondContact O-CB 3.49Å; I764-R768 VanDerWaalsContact O-CG 3.23Å; I764-R768 WeakPolarHBondContact O-CG 3.05Å; I764-R768 PolarHBondContact O-N 2.95Å; R768-L770 VanDerWaalsContact C-N 3.29Å; R768-L770 PolarHBondContact O-N 3.43Å; R768-E771 WeakPolarHBondContact CD-OE2 3.46Å; R768-E771 IonicContact CZ-OE2 3.66Å; R768-E771 IonicContact NE-OE2 3.71Å; R768-E771 IonicContact NH1-OE2 3.56Å; R768-E771 PolarHBondContact NH1-OE2 3.08Å; R768-E771 PolarHBondContact O-N 3.05Å; R768-E772 WeakPolarHBondContact O-CB 3.46Å; R768-E772 VanDerWaalsContact O-CG 3.23Å; R768-E772 WeakPolarHBondContact O-CG 3.5Å; R768-E772 PolarHBondContact O-N 3.49Å |
| 769 | R | 88 | Confident | 82.8 | Confident | 17 Ų | 17 | 61.1 Ų | 61.1 | 6% | 0.064 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70.6 | -20.9 | 175.6 | -69 | -71.3 | 177.1 | -107.7 | -12.6 | 114.2 | L765 S766 Q767 E772 R795 H796 H802 | L765-R769 VanDerWaalsContact O-CG 3.32Å; L765-R769 WeakPolarHBondContact O-CG 3.28Å; L765-R769 PolarHBondContact O-N 2.65Å; S766-R769 PolarHBondContact O-N 3.1Å; Q767-R769 VanDerWaalsContact C-N 3.26Å; Q767-R769 PolarHBondContact O-N 3.33Å; R769-E772 WeakPolarHBondContact CD-OE2 3.4Å; R769-E772 IonicContact CZ-OE2 2.67Å; R769-E772 IonicContact NE-OE2 2.68Å; R769-E772 IonicContact NH1-OE1 3.79Å; R769-E772 PolarHBondContact NH1-OE1 2.93Å; R769-E772 IonicContact NH1-OE2 2.73Å; R769-E772 PolarHBondContact NH1-OE2 2.87Å; R769-R795 PolarHBondContact NE-O 2.74Å; R769-R795 PolarHBondContact NH2-O 2.97Å; R769-H796 PolarHBondContact NH2-O 3.5Å; R769-H802 PolarHBondContact O-ND1 3.02Å |
| 770 | L | 86.3 | Confident | 81.5 | Confident | 59 Ų | 59 | 60.2 Ų | 60.2 | 31% | 0.309 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -78.7 | -53.6 | 170 | -62.7 | 172.1 | 0 | 0 | 0 | 109.5 | S766 Q767 R768 E772 Q773 E774 M787 H802 | S766-L770 PolarHBondContact O-N 3.24Å; Q767-L770 WeakPolarHBondContact O-CB 3.39Å; Q767-L770 PolarHBondContact O-N 3.09Å; R768-L770 VanDerWaalsContact C-N 3.29Å; R768-L770 PolarHBondContact O-N 3.43Å; L770-E772 PolarHBondContact O-N 3.2Å; L770-Q773 CarbonylContact O-C 3.57Å; L770-Q773 WeakPolarHBondContact O-CA 3.32Å; L770-Q773 PolarHBondContact O-N 2.7Å; L770-E774 PolarHBondContact O-N 3.46Å; L770-M787 HydrophobicContact CD2-CE 3.8Å; L770-H802 HydrophobicContact CD2-CB 4.12Å |
| 771 | E | 87 | Confident | 80.4 | Confident | 69 Ų | 69 | 62.2 Ų | 62.2 | 32% | 0.322 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.5 | -44.3 | -179.2 | -66.1 | 169.5 | -175.4 | 0 | 0 | 113.1 | Q767 R768 Q773 E774 L775 | Q767-E771 WeakPolarHBondContact CG-OE1 3.5Å; Q767-E771 PolarHBondContact NE2-OE1 3.41Å; Q767-E771 PolarHBondContact O-N 3.19Å; Q767-E771 VanDerWaalsContact O-N 3.16Å; R768-E771 WeakPolarHBondContact CD-OE2 3.46Å; R768-E771 IonicContact CZ-OE2 3.66Å; R768-E771 IonicContact NE-OE2 3.71Å; R768-E771 IonicContact NH1-OE2 3.56Å; R768-E771 PolarHBondContact NH1-OE2 3.08Å; R768-E771 PolarHBondContact O-N 3.05Å; E771-Q773 PolarHBondContact O-N 2.76Å; E771-E774 PolarHBondContact O-N 3.39Å; E771-E774 VanDerWaalsContact O-N 3.16Å; E771-L775 PolarHBondContact O-N 2.82Å; E771-L775 VanDerWaalsContact O-N 3.12Å |
| 772 | E | 82.7 | Confident | 79.8 | Confident | 80 Ų | 80 | 64.3 Ų | 64.3 | 37% | 0.374 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -54.7 | -35 | 174.3 | -78.8 | 170.8 | 168.3 | 0 | 0 | 112.3 | R768 R769 L770 H776 | R768-E772 WeakPolarHBondContact O-CB 3.46Å; R768-E772 VanDerWaalsContact O-CG 3.23Å; R768-E772 WeakPolarHBondContact O-CG 3.5Å; R768-E772 PolarHBondContact O-N 3.49Å; R769-E772 WeakPolarHBondContact CD-OE2 3.4Å; R769-E772 IonicContact CZ-OE2 2.67Å; R769-E772 IonicContact NE-OE2 2.68Å; R769-E772 IonicContact NH1-OE1 3.79Å; R769-E772 PolarHBondContact NH1-OE1 2.93Å; R769-E772 IonicContact NH1-OE2 2.73Å; R769-E772 PolarHBondContact NH1-OE2 2.87Å; L770-E772 PolarHBondContact O-N 3.2Å; E772-H776 PolarHBondContact O-N 3.37Å; E772-H776 PolarHBondContact O-ND1 3.04Å |
| 773 | Q | 76.7 | Confident | 79.4 | Confident | 27 Ų | 27 | 64.7 Ų | 64.7 | 13% | 0.126 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -92.7 | -10.7 | -177 | -162.8 | -124.9 | -68.8 | 0 | 0 | 113.6 | L770 E771 H776 H802 | L770-Q773 CarbonylContact O-C 3.57Å; L770-Q773 WeakPolarHBondContact O-CA 3.32Å; L770-Q773 PolarHBondContact O-N 2.7Å; E771-Q773 PolarHBondContact O-N 2.76Å; Q773-H776 CarbonylContact C-O 3.54Å; Q773-H802 VanDerWaalsContact OE1-CA 3.27Å |
| 774 | E | 74.8 | Confident | 79.3 | Confident | 131 Ų | 131 | 63.1 Ų | 63.1 | 61% | 0.612 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -78.8 | -32.7 | 163.6 | -58.1 | -152.2 | 121.8 | 0 | 0 | 110.7 | L770 E771 K1031 | L770-E774 PolarHBondContact O-N 3.46Å; E771-E774 PolarHBondContact O-N 3.39Å; E771-E774 VanDerWaalsContact O-N 3.16Å; E774-K1031 IonicContact OE1-NZ 3.26Å; E774-K1031 PolarHBondContact OE1-NZ 3.45Å |
| 775 | L | 72.7 | Confident | 79.1 | Confident | 94 Ų | 94 | 67.4 Ų | 67.4 | 49% | 0.492 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -77.8 | -36.3 | 176.2 | -166.2 | 65.9 | 0 | 0 | 0 | 113.1 | M1 E2 P3 E771 | M1-L775 VanDerWaalsContact O-CD2 3.31Å; M1-L775 WeakPolarHBondContact O-CD2 3.42Å; E2-L775 HydrophobicContact CG-CD1 4.35Å; E2-L775 HydrophobicContact CG-CD2 4.06Å; E2-L775 HydrophobicContact CG-CG 4.17Å; P3-L775 WeakPolarHBondContact CD-O 3.23Å; E771-L775 PolarHBondContact O-N 2.82Å; E771-L775 VanDerWaalsContact O-N 3.12Å |
| 776 | H | 65.9 | Low | 79 | Confident | 55 Ų | 55 | 67.6 Ų | 67.6 | 26% | 0.255 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -106.5 | 111.1 | 173.5 | -50.3 | 71.3 | 0 | 0 | 0 | 110 | M1 P3 E772 Q773 | M1-H776 VanDerWaalsContact C-CE1 3.48Å; M1-H776 PolarHBondContact O-CE1 3.36Å; M1-H776 PolarHBondContact O-NE2 3.31Å; P3-H776 HydrophobicContact CB-CB 4.37Å; P3-H776 VanDerWaalsContact N-CD2 3.27Å; E772-H776 PolarHBondContact O-N 3.37Å; E772-H776 PolarHBondContact O-ND1 3.04Å; Q773-H776 CarbonylContact C-O 3.54Å |
| 777 | Q | 62.3 | Low | 79 | Confident | 156 Ų | 156 | 66.9 Ų | 66.9 | 73% | 0.729 | 33% | 0.327 | S | S | * | . | trans | -47.5 | 139.1 | 174.5 | -68.9 | -174.3 | -2.5 | 0 | 0 | 111.2 | T779 | Q777-T779 PolarHBondContact O-N 3.13Š| ||
| 778 | P | 60.4 | Low | 79 | Confident | 31 Ų | 31 | 63.5 Ų | 63.5 | 20% | 0.201 | 32% | 0.315 | C | S | . | . | trans | -64.8 | 97.6 | -167.3 | 24.9 | -34.6 | 0 | 0 | 0 | 112.4 | S780 R801 | P778-S780 PolarHBondContact O-N 3.47Å; P778-R801 HydrophobicContact CB-CB 4.39Å; P778-R801 HydrophobicContact CB-CG 4.33Å | ||
| 779 | T | 55.1 | Low | 79.1 | Confident | 126 Ų | 126 | 60.5 Ų | 60.5 | 77% | 0.773 | 30% | 0.304 | S | S | * | . | trans | -66.6 | -16.1 | -179.3 | 51.7 | 0 | 0 | 0 | 0 | 113.9 | Q777 | Q777-T779 PolarHBondContact O-N 3.13Š| ||
| 780 | S | 64 | Low | 79.4 | Confident | 28 Ų | 28 | 60.9 Ų | 60.9 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | trans | -114.3 | 129.2 | 175.9 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | P778 S782 M799 | P778-S780 PolarHBondContact O-N 3.47Å; S780-S782 PolarHBondContact O-N 3.06Å; S780-S782 PolarHBondContact OG-N 3.32Å; S780-M799 WeakPolarHBondContact CB-O 3.34Å | ||
| 781 | R | 68.9 | Low | 79.7 | Confident | 172 Ų | 172 | 58.6 Ų | 58.6 | 65% | 0.649 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -65.1 | -25.1 | 172.1 | -66.7 | -177.9 | 176 | -174 | -3.3 | 112.5 | R801 W805 | R781-R801 PolarHBondContact O-NE 2.94Å; R781-R801 PolarHBondContact O-NH2 2.75Å; R781-W805 HydrophobicContact CB-CH2 4.38Å |
| 782 | S | 81.1 | Confident | 80 | Confident | 54 Ų | 54 | 55.8 Ų | 55.8 | 38% | 0.378 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -85.8 | 128.9 | -173.4 | -68.2 | 0 | 0 | 0 | 0 | 113.1 | S780 R801 | S780-S782 PolarHBondContact O-N 3.06Å; S780-S782 PolarHBondContact OG-N 3.32Å; S782-R801 PolarHBondContact O-N 2.77Å |
| 783 | L | 87 | Confident | 80.5 | Confident | 20 Ų | 20 | 52 Ų | 52 | 11% | 0.105 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -61.6 | 143.6 | 170.8 | -170 | 67.8 | 0 | 0 | 0 | 111.3 | H785 M787 A788 R801 M804 | L783-H785 PolarHBondContact O-N 3.43Å; L783-M787 HydrophobicContact CD1-CG 4.45Å; L783-A788 HydrophobicContact CD2-CB 3.77Å; L783-A788 HydrophobicContact CG-CB 4.19Å; L783-R801 CarbonylContact C-O 3.48Å; L783-R801 WeakPolarHBondContact CA-O 3.34Å; L783-M804 HydrophobicContact CD2-CE 3.75Å |
| 784 | C | 90.3 | Very high | 81.3 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 128.2 | -177.6 | 178 | 0 | 0 | 0 | 0 | 110.9 | Q786 M787 A788 C793 C798 R801 H802 | C784-Q786 PolarHBondContact O-N 2.91Å; C784-Q786 VanDerWaalsContact O-N 3.17Å; C784-M787 HydrophobicContact CB-CB 3.9Å; C784-M787 WeakPolarHBondContact O-CB 3.21Å; C784-M787 PolarHBondContact O-N 2.86Å; C784-A788 WeakPolarHBondContact O-CB 3.47Å; C784-A788 PolarHBondContact O-N 3.39Å; C784-C793 VanDerWaalsContact SG-SG 3.69Å; C784-C798 VanDerWaalsContact SG-SG 3.61Å; C784-R801 VanDerWaalsContact CB-O 3.31Å; C784-R801 WeakPolarHBondContact CB-O 3.33Å; C784-R801 PolarHBondContact N-O 2.96Å; C784-H802 WeakPolarHBondContact CB-CD2 3.16Å |
| 785 | H | 89.8 | Confident | 81.9 | Confident | 110 Ų | 110 | 47.7 Ų | 47.7 | 51% | 0.509 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -19.2 | -176.2 | -71.4 | 52.5 | 0 | 0 | 0 | 114.5 | L783 A789 | L783-H785 PolarHBondContact O-N 3.43Å; H785-A789 VanDerWaalsContact O-CB 3.27Å; H785-A789 WeakPolarHBondContact O-CB 3.32Å |
| 786 | Q | 92.9 | Very high | 82.5 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.028 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -44.9 | 168.5 | -72.8 | -163.7 | 1.9 | 0 | 0 | 111.1 | C784 A788 A789 F790 D792 L950 D951 R952 | C784-Q786 PolarHBondContact O-N 2.91Å; C784-Q786 VanDerWaalsContact O-N 3.17Å; Q786-A788 PolarHBondContact O-N 2.85Å; Q786-A789 PolarHBondContact O-N 2.76Å; Q786-F790 HydrophobicContact CB-CD2 4.25Å; Q786-F790 WeakPolarHBondContact O-CD2 3.32Å; Q786-F790 PolarHBondContact O-N 3.34Å; Q786-D792 CarbonylContact C-O 3.59Å; Q786-D792 VanDerWaalsContact C-O 3.22Å; Q786-L950 PolarHBondContact NE2-O 3.21Å; Q786-L950 VanDerWaalsContact NE2-O 3.1Å; Q786-D951 PolarHBondContact NE2-O 3.36Å; Q786-R952 VanDerWaalsContact OE1-NH1 3.16Å |
| 787 | M | 92.1 | Very high | 83.4 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 4% | 0.044 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.7 | -50.1 | 177.7 | 179.3 | 53.9 | 80.5 | 0 | 0 | 111.1 | L770 L783 C784 A789 F790 G791 D792 H802 M1026 | L770-M787 HydrophobicContact CD2-CE 3.8Å; L783-M787 HydrophobicContact CD1-CG 4.45Å; C784-M787 HydrophobicContact CB-CB 3.9Å; C784-M787 WeakPolarHBondContact O-CB 3.21Å; C784-M787 PolarHBondContact O-N 2.86Å; M787-A789 PolarHBondContact O-N 3.04Å; M787-F790 PolarHBondContact O-N 2.91Å; M787-G791 WeakPolarHBondContact O-CA 3.29Å; M787-G791 PolarHBondContact O-N 2.69Å; M787-G791 VanDerWaalsContact SD-O 3.38Å; M787-D792 PolarHBondContact N-O 3.28Å; M787-H802 HydrophobicContact CE-CB 4.01Å; M787-M1026 HydrophobicContact CG-CG 4.21Å; M787-M1026 HydrophobicContact CG-SD 3.61Å; M787-M1026 HydrophobicContact SD-CB 4.15Å; M787-M1026 HydrophobicContact SD-CG 3.81Å; M787-M1026 HydrophobicContact SD-SD 3.69Å; M787-M1026 VanDerWaalsContact SD-SD 3.69Å |
| 788 | A | 91.3 | Very high | 84.5 | Confident | 23 Ų | 23 | 42.8 Ų | 42.8 | 19% | 0.19 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.9 | -2.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L783 C784 Q786 | L783-A788 HydrophobicContact CD2-CB 3.77Å; L783-A788 HydrophobicContact CG-CB 4.19Å; C784-A788 WeakPolarHBondContact O-CB 3.47Å; C784-A788 PolarHBondContact O-N 3.39Å; Q786-A788 PolarHBondContact O-N 2.85Å |
| 789 | A | 92.5 | Very high | 85.5 | Confident | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.033 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -122.7 | -29.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | H785 Q786 M787 R941 | H785-A789 VanDerWaalsContact O-CB 3.27Å; H785-A789 WeakPolarHBondContact O-CB 3.32Å; Q786-A789 PolarHBondContact O-N 2.76Å; M787-A789 PolarHBondContact O-N 3.04Å; A789-R941 VanDerWaalsContact CB-NH1 3.27Å |
| 790 | F | 93.7 | Very high | 87 | Confident | 24 Ų | 24 | 46.4 Ų | 46.4 | 11% | 0.105 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -132.8 | -5.8 | -170.7 | -52.3 | -67.6 | 0 | 0 | 0 | 113.6 | Q786 M787 D792 Q946 R952 K1022 | Q786-F790 HydrophobicContact CB-CD2 4.25Å; Q786-F790 WeakPolarHBondContact O-CD2 3.32Å; Q786-F790 PolarHBondContact O-N 3.34Å; M787-F790 PolarHBondContact O-N 2.91Å; F790-D792 PolarHBondContact O-N 2.72Å; F790-Q946 HydrophobicContact CE1-CB 3.89Å; F790-Q946 HydrophobicContact CZ-CB 4.15Å; F790-R952 HydrophobicContact CE2-CB 4.25Å; F790-R952 VanDerWaalsContact CE2-CD 3.48Å; F790-R952 HydrophobicContact CE2-CG 4.49Å; F790-K1022 WeakPolarHBondContact O-CB 3.43Å; F790-K1022 WeakPolarHBondContact O-CD 3.44Å |
| 791 | G | 93 | Very high | 88.2 | Confident | 11 Ų | 11 | 45.2 Ų | 45.2 | 11% | 0.113 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 69.3 | 10.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | M787 | M787-G791 WeakPolarHBondContact O-CA 3.29Å; M787-G791 PolarHBondContact O-N 2.69Å; M787-G791 VanDerWaalsContact SD-O 3.38Å |
| 792 | D | 93.7 | Very high | 89.2 | Confident | 11 Ų | 11 | 37.3 Ų | 37.3 | 6% | 0.059 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -149.7 | 168.1 | 175.9 | 63 | 14.3 | 0 | 0 | 0 | 111.8 | Q786 M787 F790 R952 K1022 | Q786-D792 CarbonylContact C-O 3.59Å; Q786-D792 VanDerWaalsContact C-O 3.22Å; M787-D792 PolarHBondContact N-O 3.28Å; F790-D792 PolarHBondContact O-N 2.72Å; D792-R952 PolarHBondContact O-NH1 3.12Å; D792-R952 IonicContact OD1-CZ 2.73Å; D792-R952 IonicContact OD1-NH1 2.71Å; D792-R952 PolarHBondContact OD1-NH1 2.85Å; D792-R952 IonicContact OD1-NH2 2.72Å; D792-R952 PolarHBondContact OD1-NH2 2.98Å; D792-R952 IonicContact OD2-NH2 2.63Å; D792-R952 PolarHBondContact OD2-NH2 2.77Å; D792-K1022 HydrophobicContact CB-CD 4.4Å; D792-K1022 WeakPolarHBondContact OD2-CE 3.08Å; D792-K1022 IonicContact OD2-NZ 3.32Å; D792-K1022 PolarHBondContact OD2-NZ 3.03Å |
| 793 | C | 92.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | trans | -131.7 | 124.9 | 176.8 | -173.4 | 0 | 0 | 0 | 0 | 110.6 | C784 H802 | C784-C793 VanDerWaalsContact SG-SG 3.69Å; C793-H802 PolarHBondContact SG-NE2 3.05Å | ||
| 794 | L | 92.4 | Very high | 89.7 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | trans | -114.5 | 12.5 | -178.6 | -59 | 179.2 | 0 | 0 | 0 | 112.7 | W744 L762 L765 L950 | W744-L794 PolarHBondContact NE1-O 2.84Å; L762-L794 HydrophobicContact CB-CD2 4.18Å; L762-L794 HydrophobicContact CD1-CD1 4.36Å; L762-L794 HydrophobicContact CD2-CD1 4.37Å; L765-L794 HydrophobicContact CB-CD2 4.22Å; L794-L950 HydrophobicContact CD1-CD2 4.46Å | ||
| 795 | R | 88.9 | Confident | 89.6 | Confident | 64 Ų | 64 | 36.1 Ų | 36.1 | 24% | 0.242 | 17% | 0.173 | C | C | . | . | trans | -67.1 | 146.6 | 179.8 | -68.5 | 177.8 | 166.2 | 178.1 | -7.2 | 112.2 | R769 K797 C798 Y800 | R769-R795 PolarHBondContact NE-O 2.74Å; R769-R795 PolarHBondContact NH2-O 2.97Å; R795-K797 WeakPolarHBondContact CB-O 3.22Å; R795-C798 HydrophobicContact CB-CB 4.21Å; R795-Y800 VanDerWaalsContact NH1-CD2 3.32Å | ||
| 796 | H | 85.1 | Confident | 89.6 | Confident | 62 Ų | 62 | 37.5 Ų | 37.5 | 29% | 0.287 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -67.3 | -42.1 | -179.5 | -178.2 | -110.5 | 0 | 0 | 0 | 114.1 | E741 W744 R769 | E741-H796 VanDerWaalsContact CD-NE2 3.31Å; E741-H796 IonicContact OE1-CE1 3.35Å; E741-H796 IonicContact OE1-NE2 3.95Å; E741-H796 PolarHBondContact OE1-NE2 3.42Å; E741-H796 VanDerWaalsContact OE1-NE2 3.16Å; E741-H796 IonicContact OE2-CD2 3.17Å; E741-H796 IonicContact OE2-CE1 2.86Å; E741-H796 IonicContact OE2-NE2 2.71Å; E741-H796 PolarHBondContact OE2-NE2 3.34Å; W744-H796 HydrophobicContact CD2-CB 4Å; W744-H796 AromaticContact CD2-CD2 3.67Å; W744-H796 HydrophobicContact CE3-CB 4.33Å; W744-H796 AromaticContact CE3-CD2 3.72Å; W744-H796 AromaticContact CG-CD2 3.95Å; W744-H796 HydrophobicContact CH2-CB 4.12Å; W744-H796 HydrophobicContact CZ2-CB 3.75Å; W744-H796 HydrophobicContact CZ3-CB 4.39Å; R769-H796 PolarHBondContact NH2-O 3.5Å |
| 797 | K | 83.5 | Confident | 89.2 | Confident | 113 Ų | 113 | 41.4 Ų | 41.4 | 49% | 0.491 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -128.2 | 149 | 160.1 | -69.9 | -174.6 | 176.5 | -176.3 | 0 | 107.4 | D71 R795 | D71-K797 IonicContact OD1-NZ 3.2Å; D71-K797 PolarHBondContact OD1-NZ 3.03Å; D71-K797 IonicContact OD2-NZ 2.88Å; D71-K797 PolarHBondContact OD2-NZ 3.37Å; R795-K797 WeakPolarHBondContact CB-O 3.22Å |
| 798 | C | 85.2 | Confident | 88.9 | Confident | 28 Ų | 28 | 42 Ų | 42 | 19% | 0.189 | 20% | 0.197 | C | C | . | . | trans | -145.4 | 123.3 | 174.5 | -164.9 | 0 | 0 | 0 | 0 | 111.8 | C784 R795 H802 | C784-C798 VanDerWaalsContact SG-SG 3.61Å; R795-C798 HydrophobicContact CB-CB 4.21Å; C798-H802 PolarHBondContact SG-NE2 3.11Å | ||
| 799 | M | 83.3 | Confident | 88.8 | Confident | 139 Ų | 139 | 42.1 Ų | 42.1 | 69% | 0.685 | 20% | 0.195 | S | C | * | . | trans | -99.2 | 14.7 | -179.3 | -50.8 | -54.5 | -67.1 | 0 | 0 | 113.1 | S780 | S780-M799 WeakPolarHBondContact CB-O 3.34Š| ||
| 800 | Y | 86.3 | Confident | 88.7 | Confident | 93 Ų | 93 | 48.2 Ų | 48.2 | 37% | 0.365 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -108.1 | 152.4 | -177 | -63.4 | -91 | 0 | 0 | 0 | 110.7 | R795 H802 | R795-Y800 VanDerWaalsContact NH1-CD2 3.32Å; Y800-H802 PolarHBondContact O-CE1 3.31Å |
| 801 | R | 88.9 | Confident | 88.5 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -65.1 | 131.8 | 175.5 | 171.6 | 168.9 | 59.5 | 91 | -5.3 | 110.5 | P778 R781 S782 L783 C784 V803 E808 | P778-R801 HydrophobicContact CB-CB 4.39Å; P778-R801 HydrophobicContact CB-CG 4.33Å; R781-R801 PolarHBondContact O-NE 2.94Å; R781-R801 PolarHBondContact O-NH2 2.75Å; S782-R801 PolarHBondContact O-N 2.77Å; L783-R801 CarbonylContact C-O 3.48Å; L783-R801 WeakPolarHBondContact CA-O 3.34Å; C784-R801 VanDerWaalsContact CB-O 3.31Å; C784-R801 WeakPolarHBondContact CB-O 3.33Å; C784-R801 PolarHBondContact N-O 2.96Å; R801-V803 VanDerWaalsContact CD-O 3.29Å; R801-V803 WeakPolarHBondContact CD-O 3.49Å; R801-V803 WeakPolarHBondContact CG-O 3.47Å; R801-V803 PolarHBondContact NH1-O 2.97Å; R801-E808 IonicContact CZ-OE1 3.76Å; R801-E808 IonicContact CZ-OE2 3.78Å; R801-E808 IonicContact NH1-OE1 3.92Å; R801-E808 IonicContact NH1-OE2 2.71Å; R801-E808 PolarHBondContact NH1-OE2 2.9Å; R801-E808 IonicContact NH2-OE1 2.79Å; R801-E808 PolarHBondContact NH2-OE1 3.25Å; R801-E808 IonicContact NH2-OE2 3.67Å; R801-E808 PolarHBondContact NH2-OE2 2.64Å |
| 802 | H | 90.6 | Very high | 88.4 | Confident | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.028 | 23% | 0.232 | C | C | . | . | trans | -104.4 | 3.2 | 174 | -52.6 | 117.3 | 0 | 0 | 0 | 113.1 | R769 L770 Q773 C784 M787 C793 C798 Y800 | R769-H802 PolarHBondContact O-ND1 3.02Å; L770-H802 HydrophobicContact CD2-CB 4.12Å; Q773-H802 VanDerWaalsContact OE1-CA 3.27Å; C784-H802 WeakPolarHBondContact CB-CD2 3.16Å; M787-H802 HydrophobicContact CE-CB 4.01Å; C793-H802 PolarHBondContact SG-NE2 3.05Å; C798-H802 PolarHBondContact SG-NE2 3.11Å; Y800-H802 PolarHBondContact O-CE1 3.31Å | ||
| 803 | V | 87.8 | Confident | 88.2 | Confident | 15 Ų | 15 | 55.3 Ų | 55.3 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -108.4 | 120.3 | 175.2 | 173.2 | 0 | 0 | 0 | 0 | 109.8 | R801 K1031 | R801-V803 VanDerWaalsContact CD-O 3.29Å; R801-V803 WeakPolarHBondContact CD-O 3.49Å; R801-V803 WeakPolarHBondContact CG-O 3.47Å; R801-V803 PolarHBondContact NH1-O 2.97Å; V803-K1031 HydrophobicContact CG1-CB 3.98Å; V803-K1031 HydrophobicContact CG1-CD 3.94Å; V803-K1031 HydrophobicContact CG1-CG 3.73Å |
| 804 | M | 88.8 | Confident | 88.1 | Confident | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | trans | -71.3 | 141.3 | 173.1 | 176.7 | 162.3 | -91 | 0 | 0 | 111 | L783 E808 V809 I986 H987 M1026 V1027 S1030 K1031 | L783-M804 HydrophobicContact CD2-CE 3.75Å; M804-E808 HydrophobicContact CE-CB 4.29Å; M804-E808 HydrophobicContact CG-CB 3.96Å; M804-V809 HydrophobicContact CG-CG2 3.99Å; M804-V809 HydrophobicContact SD-CB 4.43Å; M804-V809 HydrophobicContact SD-CG2 3.85Å; M804-I986 HydrophobicContact CE-CG2 3.95Å; M804-I986 HydrophobicContact SD-CG2 3.95Å; M804-H987 HydrophobicContact CE-CB 3.96Å; M804-M1026 HydrophobicContact CB-CG 4.21Å; M804-M1026 HydrophobicContact CE-CE 3.9Å; M804-M1026 HydrophobicContact SD-CE 3.93Å; M804-V1027 HydrophobicContact SD-CG2 4.18Å; M804-S1030 VanDerWaalsContact O-CA 3.25Å; M804-S1030 WeakPolarHBondContact O-CA 3.16Å; M804-S1030 WeakPolarHBondContact O-CB 3.38Å; M804-K1031 PolarHBondContact O-N 3.22Å; M804-K1031 VanDerWaalsContact O-N 3.11Å | ||
| 805 | W | 89.2 | Confident | 88.2 | Confident | 31 Ų | 31 | 57.7 Ų | 57.7 | 12% | 0.117 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -85.3 | 154.5 | 171.4 | -62.4 | -41.3 | 0 | 0 | 0 | 111.4 | R781 D807 E808 V809 K1031 C1033 Y1035 | R781-W805 HydrophobicContact CB-CH2 4.38Å; W805-D807 VanDerWaalsContact C-N 3.32Å; W805-D807 WeakPolarHBondContact CB-OD1 3.37Å; W805-D807 PolarHBondContact O-N 3.49Å; W805-E808 HydrophobicContact CB-CG 4.13Å; W805-E808 HydrophobicContact CE3-CG 4.29Å; W805-E808 PolarHBondContact N-OE2 3.47Å; W805-E808 WeakPolarHBondContact O-CB 3.25Å; W805-E808 PolarHBondContact O-N 3.03Å; W805-V809 PolarHBondContact O-N 3.15Å; W805-K1031 CarbonylContact C-O 3.54Å; W805-K1031 VanDerWaalsContact CA-O 3.23Å; W805-K1031 WeakPolarHBondContact CA-O 3.42Å; W805-C1033 HydrophobicContact CB-CB 4.4Å; W805-C1033 HydrophobicContact CD2-CB 3.91Å; W805-C1033 HydrophobicContact CE3-CB 4.31Å; W805-C1033 HydrophobicContact CG-CB 3.96Å; W805-Y1035 HydrophobicContact CZ2-CD2 4.42Å |
| 806 | R | 88.9 | Confident | 88.5 | Confident | 138 Ų | 138 | 55.7 Ų | 55.7 | 52% | 0.521 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.3 | -33.9 | -177 | -69 | -170.5 | -172.7 | 141.6 | 3.7 | 114.1 | E808 V809 K1031 D1032 | R806-E808 VanDerWaalsContact C-N 3.27Å; R806-E808 PolarHBondContact O-N 2.99Å; R806-V809 PolarHBondContact O-N 3.33Å; R806-K1031 PolarHBondContact N-O 3Å; R806-D1032 WeakPolarHBondContact CD-OD1 3.47Å; R806-D1032 IonicContact CZ-OD1 3.71Å; R806-D1032 IonicContact CZ-OD2 3.65Å; R806-D1032 VanDerWaalsContact CZ-OD2 3.26Å; R806-D1032 IonicContact NE-OD1 3.95Å; R806-D1032 IonicContact NH1-OD1 3.68Å; R806-D1032 PolarHBondContact NH1-OD1 2.69Å; R806-D1032 IonicContact NH1-OD2 2.62Å; R806-D1032 PolarHBondContact NH1-OD2 2.69Å; R806-D1032 IonicContact NH2-OD2 3.64Å |
| 807 | D | 84.9 | Confident | 88.7 | Confident | 88 Ų | 88 | 57.7 Ų | 57.7 | 47% | 0.471 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69 | -25.2 | 173.4 | 64.4 | -47.7 | 0 | 0 | 0 | 112.5 | W805 M1036 | W805-D807 VanDerWaalsContact C-N 3.32Å; W805-D807 WeakPolarHBondContact CB-OD1 3.37Å; W805-D807 PolarHBondContact O-N 3.49Å; D807-M1036 HydrophobicContact CB-CE 4.1Å; D807-M1036 WeakPolarHBondContact OD2-CE 3.23Å |
| 808 | E | 86.8 | Confident | 89 | Confident | 21 Ų | 21 | 58.3 Ų | 58.3 | 10% | 0.098 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -80.6 | -19.4 | 176.3 | -65 | 178.8 | 139.7 | 0 | 0 | 113.9 | R801 M804 W805 R806 H987 | R801-E808 IonicContact CZ-OE1 3.76Å; R801-E808 IonicContact CZ-OE2 3.78Å; R801-E808 IonicContact NH1-OE1 3.92Å; R801-E808 IonicContact NH1-OE2 2.71Å; R801-E808 PolarHBondContact NH1-OE2 2.9Å; R801-E808 IonicContact NH2-OE1 2.79Å; R801-E808 PolarHBondContact NH2-OE1 3.25Å; R801-E808 IonicContact NH2-OE2 3.67Å; R801-E808 PolarHBondContact NH2-OE2 2.64Å; M804-E808 HydrophobicContact CE-CB 4.29Å; M804-E808 HydrophobicContact CG-CB 3.96Å; W805-E808 HydrophobicContact CB-CG 4.13Å; W805-E808 HydrophobicContact CE3-CG 4.29Å; W805-E808 PolarHBondContact N-OE2 3.47Å; W805-E808 WeakPolarHBondContact O-CB 3.25Å; W805-E808 PolarHBondContact O-N 3.03Å; R806-E808 VanDerWaalsContact C-N 3.27Å; R806-E808 PolarHBondContact O-N 2.99Å; E808-H987 WeakPolarHBondContact CA-ND1 3.07Å; E808-H987 WeakPolarHBondContact CB-ND1 3.31Å; E808-H987 WeakPolarHBondContact O-CA 3.37Å; E808-H987 WeakPolarHBondContact O-CB 3.47Å; E808-H987 PolarHBondContact O-N 3.32Å; E808-H987 PolarHBondContact O-ND1 3.37Å |
| 809 | V | 89 | Confident | 89.5 | Confident | 26 Ų | 26 | 58.5 Ų | 58.5 | 16% | 0.158 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.6 | -49.8 | -176.4 | 168.3 | 0 | 0 | 0 | 0 | 111.6 | M804 W805 R806 H987 V1027 | M804-V809 HydrophobicContact CG-CG2 3.99Å; M804-V809 HydrophobicContact SD-CB 4.43Å; M804-V809 HydrophobicContact SD-CG2 3.85Å; W805-V809 PolarHBondContact O-N 3.15Å; R806-V809 PolarHBondContact O-N 3.33Å; V809-H987 PolarHBondContact O-N 2.88Å; V809-V1027 HydrophobicContact CG1-CG1 3.62Å; V809-V1027 HydrophobicContact CG1-CG2 4.4Å; V809-V1027 HydrophobicContact CG2-CG1 4.31Å |
| 810 | L | 89.2 | Confident | 90.1 | Very high | 132 Ų | 132 | 57.4 Ų | 57.4 | 69% | 0.691 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -76.5 | 131.8 | -172.7 | -66 | 177.1 | 0 | 0 | 0 | 111.1 | ||
| 811 | P | 90.6 | Very high | 90.6 | Very high | 13 Ų | 13 | 53.5 Ų | 53.5 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 150.2 | 173.2 | 32.9 | -36.2 | 0 | 0 | 0 | 111.1 | K817 A985 H987 | P811-K817 HydrophobicContact CG-CD 4.43Å; P811-K817 HydrophobicContact CG-CG 4.09Å; P811-A985 HydrophobicContact CB-CB 3.94Å; P811-A985 HydrophobicContact CG-CB 3.9Å; P811-A985 WeakPolarHBondContact CG-O 3.44Å; P811-H987 VanDerWaalsContact CA-O 3.23Å; P811-H987 WeakPolarHBondContact CA-O 3.17Å; P811-H987 VanDerWaalsContact CB-O 3.32Å; P811-H987 WeakPolarHBondContact CB-O 3.47Å |
| 812 | P | 90.3 | Very high | 90.9 | Very high | 38 Ų | 38 | 59.1 Ų | 59.1 | 25% | 0.247 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 147.3 | 178.3 | -23.9 | 32.9 | 0 | 0 | 0 | 112.4 | H814 Y815 H987 | P812-H814 PolarHBondContact O-N 3.41Å; P812-Y815 HydrophobicContact CB-CD2 3.87Å; P812-Y815 HydrophobicContact CB-CE2 4.25Å; P812-Y815 HydrophobicContact CG-CD2 3.95Å; P812-Y815 HydrophobicContact CG-CE2 3.98Å; P812-Y815 VanDerWaalsContact O-CB 3.28Å; P812-Y815 WeakPolarHBondContact O-CB 3.29Å; P812-Y815 PolarHBondContact O-N 3.38Å; P812-H987 WeakPolarHBondContact CD-O 3.4Å |
| 813 | D | 89.9 | Confident | 91.1 | Very high | 144 Ų | 144 | 58.8 Ų | 58.8 | 77% | 0.77 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.7 | -167.4 | -67.1 | -54.9 | 0 | 0 | 0 | 116.5 | Y815 K817 | D813-Y815 VanDerWaalsContact C-N 3.34Å; D813-K817 IonicContact OD1-NZ 2.83Å; D813-K817 PolarHBondContact OD1-NZ 2.87Å |
| 814 | H | 91.5 | Very high | 91.3 | Very high | 48 Ų | 48 | 59 Ų | 59 | 22% | 0.222 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -12.5 | 172.3 | 55.9 | -78.3 | 0 | 0 | 0 | 113.2 | P812 Q841 | P812-H814 PolarHBondContact O-N 3.41Å; H814-Q841 PolarHBondContact O-NE2 3.27Å; H814-Q841 PolarHBondContact O-OE1 3.47Å |
| 815 | Y | 94.1 | Very high | 91.4 | Very high | 6 Ų | 6 | 60 Ų | 60 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -74.2 | 134.4 | 177 | -82.7 | -131.7 | 0 | 0 | 0 | 110.7 | P812 D813 K817 R935 M938 R988 I990 | P812-Y815 HydrophobicContact CB-CD2 3.87Å; P812-Y815 HydrophobicContact CB-CE2 4.25Å; P812-Y815 HydrophobicContact CG-CD2 3.95Å; P812-Y815 HydrophobicContact CG-CE2 3.98Å; P812-Y815 VanDerWaalsContact O-CB 3.28Å; P812-Y815 WeakPolarHBondContact O-CB 3.29Å; P812-Y815 PolarHBondContact O-N 3.38Å; D813-Y815 VanDerWaalsContact C-N 3.34Å; Y815-K817 PolarHBondContact O-N 3.25Å; Y815-R935 HydrophobicContact CE2-CG 4.39Å; Y815-M938 HydrophobicContact CD1-SD 4.29Å; Y815-M938 HydrophobicContact CD2-CE 3.83Å; Y815-M938 HydrophobicContact CD2-CG 4.49Å; Y815-M938 HydrophobicContact CD2-SD 4.04Å; Y815-M938 HydrophobicContact CE1-CB 4.02Å; Y815-M938 HydrophobicContact CE1-CG 4.08Å; Y815-M938 HydrophobicContact CE1-SD 4.24Å; Y815-M938 HydrophobicContact CE2-CE 3.87Å; Y815-M938 HydrophobicContact CE2-CG 3.85Å; Y815-M938 HydrophobicContact CE2-SD 3.99Å; Y815-M938 HydrophobicContact CG-CE 4.45Å; Y815-M938 HydrophobicContact CG-SD 4.19Å; Y815-R988 WeakPolarHBondContact CE1-O 3.44Å; Y815-R988 PolarHBondContact OH-O 3.26Å; Y815-I990 HydrophobicContact CD1-CD1 3.98Å; Y815-I990 HydrophobicContact CD1-CG1 3.71Å; Y815-I990 HydrophobicContact CE1-CD1 4.33Å; Y815-I990 HydrophobicContact CE1-CG1 4.1Å |
| 816 | P | 93.9 | Very high | 91.5 | Very high | 21 Ų | 21 | 59.7 Ų | 59.7 | 14% | 0.136 | 30% | 0.303 | C | S | . | . | trans | -69 | 119.8 | 176 | 27.4 | -33 | 0 | 0 | 0 | 109.9 | I821 L838 V982 I990 | P816-I821 HydrophobicContact CB-CG2 3.7Å; P816-I821 HydrophobicContact CG-CG2 3.63Å; P816-L838 HydrophobicContact CG-CD1 3.82Å; P816-V982 HydrophobicContact CB-CG2 4.33Å; P816-V982 HydrophobicContact CG-CG2 4.25Å; P816-I990 HydrophobicContact CG-CD1 3.93Å | ||
| 817 | K | 90.1 | Very high | 91.6 | Very high | 105 Ų | 105 | 55.1 Ų | 55.1 | 46% | 0.457 | 29% | 0.291 | S | S | . | . | trans | -85.1 | -19.8 | -177 | -61.6 | 174.9 | -174.6 | 173.6 | 0 | 112.5 | P811 D813 Y815 | P811-K817 HydrophobicContact CG-CD 4.43Å; P811-K817 HydrophobicContact CG-CG 4.09Å; D813-K817 IonicContact OD1-NZ 2.83Å; D813-K817 PolarHBondContact OD1-NZ 2.87Å; Y815-K817 PolarHBondContact O-N 3.25Å | ||
| 818 | N | 90.9 | Very high | 91.9 | Very high | 126 Ų | 126 | 51.4 Ų | 51.4 | 67% | 0.674 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -160.9 | 177.9 | 171.8 | 58.3 | 61.4 | 0 | 0 | 0 | 110.3 | ||
| 819 | G | 94.3 | Very high | 92.1 | Very high | 32 Ų | 32 | 52.8 Ų | 52.8 | 33% | 0.33 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 96.1 | -176.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | V981 V982 | G819-V981 WeakPolarHBondContact O-CA 3.28Å; G819-V982 PolarHBondContact O-N 3.09Å |
| 820 | L | 95.9 | Very high | 92.3 | Very high | 116 Ų | 116 | 52.3 Ų | 52.3 | 61% | 0.607 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 132 | 175.2 | -178.4 | 71.6 | 0 | 0 | 0 | 109.8 | H979 V981 | L820-H979 HydrophobicContact CD1-CB 4.29Å; L820-V981 HydrophobicContact CD1-CG2 4.04Å |
| 821 | I | 96.4 | Very high | 92.6 | Very high | 11 Ų | 11 | 46 Ų | 46 | 6% | 0.056 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 144.3 | 176.6 | 55.6 | 163.6 | 0 | 0 | 0 | 110.9 | P816 F823 L838 L940 H979 A980 V982 I990 | P816-I821 HydrophobicContact CB-CG2 3.7Å; P816-I821 HydrophobicContact CG-CG2 3.63Å; I821-F823 HydrophobicContact CD1-CD1 3.99Å; I821-F823 HydrophobicContact CD1-CE1 4.2Å; I821-F823 HydrophobicContact CG1-CD1 4.15Å; I821-F823 HydrophobicContact CG1-CE1 4.35Å; I821-L838 HydrophobicContact CB-CD2 4.25Å; I821-L838 HydrophobicContact CD1-CD2 4.12Å; I821-L940 HydrophobicContact CD1-CD1 3.57Å; I821-H979 WeakPolarHBondContact O-CA 3.5Å; I821-H979 WeakPolarHBondContact O-CB 3.48Å; I821-A980 HydrophobicContact CG1-CB 4.36Å; I821-A980 VanDerWaalsContact CG1-O 3.29Å; I821-A980 WeakPolarHBondContact CG1-O 3.3Å; I821-A980 PolarHBondContact N-O 2.76Å; I821-A980 PolarHBondContact O-N 2.75Å; I821-A980 VanDerWaalsContact O-N 3.16Å; I821-V982 HydrophobicContact CD1-CG2 3.87Å; I821-V982 HydrophobicContact CG1-CG2 3.99Å; I821-V982 HydrophobicContact CG2-CG2 3.79Å; I821-I990 HydrophobicContact CD1-CG2 4.36Å |
| 822 | R | 95.6 | Very high | 92.8 | Very high | 121 Ų | 121 | 45.9 Ų | 45.9 | 46% | 0.457 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133.7 | 170 | -59 | -178.5 | -71.8 | -155.2 | 3.1 | 110.2 | S839 D840 F978 H979 | R822-S839 PolarHBondContact O-N 2.97Å; R822-D840 WeakPolarHBondContact CB-OD2 3.31Å; R822-D840 IonicContact CZ-OD1 2.69Å; R822-D840 VanDerWaalsContact CZ-OD1 3.29Å; R822-D840 IonicContact CZ-OD2 3.08Å; R822-D840 IonicContact NE-OD1 3.45Å; R822-D840 PolarHBondContact NE-OD1 2.85Å; R822-D840 VanDerWaalsContact NE-OD1 3.14Å; R822-D840 IonicContact NE-OD2 3.68Å; R822-D840 PolarHBondContact NE-OD2 3.46Å; R822-D840 IonicContact NH2-OD1 2.77Å; R822-D840 PolarHBondContact NH2-OD1 2.88Å; R822-D840 IonicContact NH2-OD2 2.75Å; R822-F978 WeakPolarHBondContact CA-O 3.38Å; R822-H979 HydrophobicContact CG-CB 4.4Å |
| 823 | F | 94.7 | Very high | 93 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 160.9 | -171.9 | 59.8 | -91.5 | 0 | 0 | 0 | 113.8 | I821 V825 V836 R837 L838 L940 F978 A980 I995 | I821-F823 HydrophobicContact CD1-CD1 3.99Å; I821-F823 HydrophobicContact CD1-CE1 4.2Å; I821-F823 HydrophobicContact CG1-CD1 4.15Å; I821-F823 HydrophobicContact CG1-CE1 4.35Å; F823-V825 HydrophobicContact CD2-CG2 4.19Å; F823-V825 HydrophobicContact CE2-CG2 3.94Å; F823-V836 HydrophobicContact CB-CB 4.15Å; F823-V836 HydrophobicContact CB-CG2 4.42Å; F823-V836 HydrophobicContact CD2-CB 3.68Å; F823-V836 HydrophobicContact CD2-CG1 3.48Å; F823-V836 VanDerWaalsContact CD2-CG1 3.48Å; F823-V836 HydrophobicContact CD2-CG2 4.36Å; F823-V836 HydrophobicContact CE2-CB 4.37Å; F823-V836 HydrophobicContact CE2-CG1 3.68Å; F823-V836 HydrophobicContact CG-CB 4.12Å; F823-V836 HydrophobicContact CG-CG1 4.32Å; F823-V836 HydrophobicContact CG-CG2 4.42Å; F823-R837 CarbonylContact C-O 3.56Å; F823-R837 VanDerWaalsContact CA-O 3.22Å; F823-R837 WeakPolarHBondContact CA-O 3.14Å; F823-R837 WeakPolarHBondContact CB-O 3.39Å; F823-L838 HydrophobicContact CB-CD2 4.18Å; F823-L940 HydrophobicContact CD1-CD1 4.41Å; F823-L940 HydrophobicContact CE1-CD1 4.04Å; F823-L940 HydrophobicContact CZ-CD1 4.19Å; F823-L940 HydrophobicContact CZ-CD2 4.17Å; F823-F978 WeakPolarHBondContact CD1-O 3.31Å; F823-F978 HydrophobicContact CD2-CB 4.05Å; F823-F978 HydrophobicContact CE1-CB 4.46Å; F823-F978 HydrophobicContact CE2-CB 3.65Å; F823-F978 HydrophobicContact CZ-CB 3.89Å; F823-F978 PolarHBondContact N-O 2.92Å; F823-F978 PolarHBondContact O-N 2.84Å; F823-A980 HydrophobicContact CE1-CB 3.79Å; F823-A980 HydrophobicContact CZ-CB 4.34Å; F823-I995 HydrophobicContact CE2-CG2 4.3Å; F823-I995 HydrophobicContact CZ-CD1 4.19Å; F823-I995 HydrophobicContact CZ-CG1 4.2Å; F823-I995 HydrophobicContact CZ-CG2 3.72Å |
| 824 | L | 92.4 | Very high | 93.3 | Very high | 18 Ų | 18 | 37.7 Ų | 37.7 | 9% | 0.094 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 130.3 | 170 | -177.8 | 59.9 | 0 | 0 | 0 | 108.5 | L826 V836 R837 S839 P852 R976 | L824-L826 PolarHBondContact O-N 3.22Å; L824-V836 CarbonylContact O-C 3.55Å; L824-V836 WeakPolarHBondContact O-CA 3.17Å; L824-R837 PolarHBondContact N-O 3.23Å; L824-R837 PolarHBondContact O-N 3.39Å; L824-S839 PolarHBondContact N-OG 2.96Å; L824-P852 HydrophobicContact CD2-CB 3.59Å; L824-P852 HydrophobicContact CD2-CG 3.59Å; L824-R976 WeakPolarHBondContact CD1-O 3.2Å |
| 825 | V | 92 | Very high | 93.5 | Very high | 25 Ų | 25 | 35.4 Ų | 35.4 | 15% | 0.152 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 119.5 | 174.6 | 179.2 | 0 | 0 | 0 | 0 | 109 | F823 L834 V836 F967 F978 | F823-V825 HydrophobicContact CD2-CG2 4.19Å; F823-V825 HydrophobicContact CE2-CG2 3.94Å; V825-L834 HydrophobicContact CG1-CD1 4.46Å; V825-L834 HydrophobicContact CG1-CD2 4.49Å; V825-L834 HydrophobicContact CG2-CD1 4.05Å; V825-V836 HydrophobicContact CG2-CG1 4.38Å; V825-F967 HydrophobicContact CB-CD1 4.42Å; V825-F967 HydrophobicContact CG1-CD2 4.48Å; V825-F967 HydrophobicContact CG2-CD1 3.88Å; V825-F967 HydrophobicContact CG2-CE1 3.74Å; V825-F967 HydrophobicContact CG2-CZ 4.29Å; V825-F978 HydrophobicContact CG2-CD2 3.84Å; V825-F978 HydrophobicContact CG2-CE2 4.24Å; V825-F978 HydrophobicContact CG2-CG 4.31Å |
| 826 | L | 89.9 | Confident | 93.5 | Very high | 24 Ų | 24 | 35.1 Ų | 35.1 | 13% | 0.126 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | -51.8 | 176.9 | -56.3 | 173 | 0 | 0 | 0 | 110.1 | L824 A835 R837 F851 P852 T911 A937 | L824-L826 PolarHBondContact O-N 3.22Å; L826-A835 HydrophobicContact CB-CB 4.47Å; L826-A835 WeakPolarHBondContact CB-O 3.29Å; L826-A835 PolarHBondContact N-O 3.45Å; L826-R837 HydrophobicContact CD1-CB 4.09Å; L826-R837 HydrophobicContact CD2-CB 4.17Å; L826-R837 HydrophobicContact CG-CB 4.24Å; L826-F851 HydrophobicContact CD2-CZ 4.25Å; L826-P852 HydrophobicContact CD2-CG 4.45Å; L826-T911 WeakPolarHBondContact CB-O 3.33Å; L826-A937 HydrophobicContact CD1-CB 3.85Å |
| 827 | V | 90.4 | Very high | 93.5 | Very high | 42 Ų | 42 | 34.3 Ų | 34.3 | 26% | 0.255 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 141.7 | -179.8 | -166 | 0 | 0 | 0 | 0 | 110.2 | Y829 L834 A835 | V827-Y829 HydrophobicContact CB-CD1 4.34Å; V827-Y829 HydrophobicContact CB-CE1 3.67Å; V827-Y829 HydrophobicContact CG1-CD1 3.74Å; V827-Y829 HydrophobicContact CG1-CE1 3.39Å; V827-Y829 HydrophobicContact CG2-CE1 4.45Å; V827-L834 CarbonylContact O-C 3.53Å; V827-L834 WeakPolarHBondContact O-CA 3.47Å; V827-A835 HydrophobicContact CB-CB 4.29Å; V827-A835 PolarHBondContact N-O 2.87Å; V827-A835 PolarHBondContact O-N 3.39Å |
| 828 | C | 92.4 | Very high | 93.8 | Very high | 10 Ų | 10 | 29.7 Ų | 29.7 | 7% | 0.068 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 102.3 | 172.9 | 171.3 | 0 | 0 | 0 | 0 | 108.8 | L834 R959 R963 F967 | C828-L834 HydrophobicContact CB-CD2 3.81Å; C828-R959 VanDerWaalsContact O-CD 3.32Å; C828-R959 WeakPolarHBondContact O-CD 3.44Å; C828-R959 VanDerWaalsContact O-CG 3.29Å; C828-R959 WeakPolarHBondContact O-CG 3.32Å; C828-R963 HydrophobicContact CB-CB 4.46Å; C828-F967 HydrophobicContact CB-CD2 4.13Å; C828-F967 HydrophobicContact CB-CE2 4.03Å |
| 829 | Y | 91.6 | Very high | 93.8 | Very high | 50 Ų | 50 | 24.5 Ų | 24.5 | 20% | 0.196 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -38.3 | -179.9 | -52.5 | -51.2 | 0 | 0 | 0 | 111.7 | V827 A833 A835 S912 T913 E914 R959 | V827-Y829 HydrophobicContact CB-CD1 4.34Å; V827-Y829 HydrophobicContact CB-CE1 3.67Å; V827-Y829 HydrophobicContact CG1-CD1 3.74Å; V827-Y829 HydrophobicContact CG1-CE1 3.39Å; V827-Y829 HydrophobicContact CG2-CE1 4.45Å; Y829-A833 WeakPolarHBondContact CB-O 3.27Å; Y829-A833 PolarHBondContact N-O 3.24Å; Y829-A833 VanDerWaalsContact N-O 3.07Å; Y829-A835 HydrophobicContact CE2-CB 3.8Å; Y829-A835 WeakPolarHBondContact OH-CB 3.18Å; Y829-S912 PolarHBondContact OH-OG 2.93Å; Y829-T913 PolarHBondContact OH-N 2.9Å; Y829-T913 PolarHBondContact OH-OG1 2.79Å; Y829-E914 HydrophobicContact CD1-CG 4.2Å; Y829-E914 HydrophobicContact CE1-CG 3.47Å; Y829-E914 VanDerWaalsContact CE1-CG 3.47Å; Y829-R959 WeakPolarHBondContact O-CD 3.37Å; Y829-R959 WeakPolarHBondContact O-CG 3.36Å |
| 830 | S | 93.3 | Very high | 93.6 | Very high | 16 Ų | 16 | 27.3 Ų | 27.3 | 11% | 0.112 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 170.4 | 175.5 | 74.3 | 0 | 0 | 0 | 0 | 110.6 | A832 A833 W954 | S830-A832 PolarHBondContact O-N 2.88Å; S830-A832 PolarHBondContact OG-N 2.87Å; S830-A833 PolarHBondContact N-O 3.43Å; S830-A833 PolarHBondContact O-N 3.09Å; S830-A833 PolarHBondContact OG-N 3.34Å; S830-A833 VanDerWaalsContact OG-N 3.13Å; S830-W954 VanDerWaalsContact CB-CD1 3.46Å |
| 831 | P | 94.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -17.3 | 168.7 | -30.9 | 39.2 | 0 | 0 | 0 | 116 | W954 A958 V962 V1007 | P831-W954 HydrophobicContact CB-CD2 4.17Å; P831-W954 HydrophobicContact CB-CE3 4.01Å; P831-W954 HydrophobicContact CB-CH2 3.95Å; P831-W954 HydrophobicContact CB-CZ2 4.14Å; P831-W954 HydrophobicContact CB-CZ3 3.9Å; P831-W954 HydrophobicContact CG-CD2 3.87Å; P831-W954 HydrophobicContact CG-CE3 3.6Å; P831-W954 HydrophobicContact CG-CG 4.4Å; P831-W954 HydrophobicContact CG-CH2 4.44Å; P831-W954 HydrophobicContact CG-CZ3 3.91Å; P831-A958 HydrophobicContact CG-CB 3.96Å; P831-V962 HydrophobicContact CB-CG2 4.03Å; P831-V962 HydrophobicContact CG-CG2 3.97Å; P831-V1007 HydrophobicContact CB-CG1 3.96Å; P831-V1007 HydrophobicContact CB-CG2 3.8Å |
| 832 | A | 94.8 | Very high | 93.3 | Very high | 9 Ų | 9 | 26.6 Ų | 26.6 | 7% | 0.074 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | -0.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | S830 R941 I942 L945 W954 | S830-A832 PolarHBondContact O-N 2.88Å; S830-A832 PolarHBondContact OG-N 2.87Å; A832-R941 VanDerWaalsContact O-CA 3.26Å; A832-R941 WeakPolarHBondContact O-CA 3.35Å; A832-I942 PolarHBondContact O-N 3.06Å; A832-L945 HydrophobicContact CB-CB 4.03Å; A832-L945 HydrophobicContact CB-CD2 3.94Å; A832-L945 HydrophobicContact CB-CG 3.96Å; A832-L945 VanDerWaalsContact CB-O 3.26Å; A832-L945 WeakPolarHBondContact CB-O 3.4Å; A832-W954 HydrophobicContact CB-CZ2 4.05Å |
| 833 | A | 95 | Very high | 93 | Very high | 9 Ų | 9 | 24 Ų | 24 | 7% | 0.074 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 130.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y829 S830 R941 | Y829-A833 WeakPolarHBondContact CB-O 3.27Å; Y829-A833 PolarHBondContact N-O 3.24Å; Y829-A833 VanDerWaalsContact N-O 3.07Å; S830-A833 PolarHBondContact N-O 3.43Å; S830-A833 PolarHBondContact O-N 3.09Å; S830-A833 PolarHBondContact OG-N 3.34Å; S830-A833 VanDerWaalsContact OG-N 3.13Å; A833-R941 HydrophobicContact CB-CG 4Å |
| 834 | L | 95.5 | Very high | 92.8 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 153.5 | -172.2 | -48.6 | 175.7 | 0 | 0 | 0 | 110.6 | V825 V827 C828 V836 L940 F967 I995 | V825-L834 HydrophobicContact CG1-CD1 4.46Å; V825-L834 HydrophobicContact CG1-CD2 4.49Å; V825-L834 HydrophobicContact CG2-CD1 4.05Å; V827-L834 CarbonylContact O-C 3.53Å; V827-L834 WeakPolarHBondContact O-CA 3.47Å; C828-L834 HydrophobicContact CB-CD2 3.81Å; L834-V836 HydrophobicContact CB-CG1 3.92Å; L834-V836 HydrophobicContact CD1-CG1 4.31Å; L834-L940 HydrophobicContact CD1-CD2 4.36Å; L834-L940 PolarHBondContact N-O 2.82Å; L834-L940 PolarHBondContact O-N 2.59Å; L834-F967 HydrophobicContact CD1-CE1 4.22Å; L834-F967 HydrophobicContact CD1-CE2 4.34Å; L834-F967 HydrophobicContact CD1-CZ 3.6Å; L834-F967 HydrophobicContact CD2-CE2 3.62Å; L834-F967 HydrophobicContact CD2-CZ 3.71Å; L834-F967 HydrophobicContact CG-CZ 4.34Å; L834-I995 HydrophobicContact CD1-CD1 3.46Å; L834-I995 VanDerWaalsContact CD1-CD1 3.46Å; L834-I995 HydrophobicContact CG-CD1 4.49Å |
| 835 | A | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 131.5 | 153.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | L826 V827 Y829 T913 M938 | L826-A835 HydrophobicContact CB-CB 4.47Å; L826-A835 WeakPolarHBondContact CB-O 3.29Å; L826-A835 PolarHBondContact N-O 3.45Å; V827-A835 HydrophobicContact CB-CB 4.29Å; V827-A835 PolarHBondContact N-O 2.87Å; V827-A835 PolarHBondContact O-N 3.39Å; Y829-A835 HydrophobicContact CE2-CB 3.8Å; Y829-A835 WeakPolarHBondContact OH-CB 3.18Å; A835-T913 HydrophobicContact CB-CG2 4.36Å; A835-M938 WeakPolarHBondContact CA-O 3.33Å |
| 836 | V | 95.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 155.3 | -176.4 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | F823 L824 V825 L834 M938 L940 | F823-V836 HydrophobicContact CB-CB 4.15Å; F823-V836 HydrophobicContact CB-CG2 4.42Å; F823-V836 HydrophobicContact CD2-CB 3.68Å; F823-V836 HydrophobicContact CD2-CG1 3.48Å; F823-V836 VanDerWaalsContact CD2-CG1 3.48Å; F823-V836 HydrophobicContact CD2-CG2 4.36Å; F823-V836 HydrophobicContact CE2-CB 4.37Å; F823-V836 HydrophobicContact CE2-CG1 3.68Å; F823-V836 HydrophobicContact CG-CB 4.12Å; F823-V836 HydrophobicContact CG-CG1 4.32Å; F823-V836 HydrophobicContact CG-CG2 4.42Å; L824-V836 CarbonylContact O-C 3.55Å; L824-V836 WeakPolarHBondContact O-CA 3.17Å; V825-V836 HydrophobicContact CG2-CG1 4.38Å; L834-V836 HydrophobicContact CB-CG1 3.92Å; L834-V836 HydrophobicContact CD1-CG1 4.31Å; V836-M938 HydrophobicContact CG2-CB 4.26Å; V836-M938 PolarHBondContact N-O 2.67Å; V836-M938 PolarHBondContact O-N 3.2Å; V836-L940 HydrophobicContact CG1-CB 4.04Å; V836-L940 HydrophobicContact CG2-CB 3.72Å; V836-L940 HydrophobicContact CG2-CD1 4.07Å; V836-L940 HydrophobicContact CG2-CG 4.48Å |
| 837 | R | 94.5 | Very high | 92.1 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.015 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.8 | 166.6 | -178.3 | 164.5 | 78.4 | -145.4 | -13.2 | 110.4 | F823 L824 L826 S839 F842 T844 P852 E936 | F823-R837 CarbonylContact C-O 3.56Å; F823-R837 VanDerWaalsContact CA-O 3.22Å; F823-R837 WeakPolarHBondContact CA-O 3.14Å; F823-R837 WeakPolarHBondContact CB-O 3.39Å; L824-R837 PolarHBondContact N-O 3.23Å; L824-R837 PolarHBondContact O-N 3.39Å; L826-R837 HydrophobicContact CD1-CB 4.09Å; L826-R837 HydrophobicContact CD2-CB 4.17Å; L826-R837 HydrophobicContact CG-CB 4.24Å; R837-S839 PolarHBondContact O-N 3.29Å; R837-F842 WeakPolarHBondContact CD-O 3.43Å; R837-F842 HydrophobicContact CG-CB 3.6Å; R837-F842 HydrophobicContact CG-CD2 4.29Å; R837-F842 HydrophobicContact CG-CG 4.37Å; R837-F842 PolarHBondContact NE-O 3.39Å; R837-F842 VanDerWaalsContact NE-O 3.09Å; R837-T844 PolarHBondContact NH2-OG1 3.04Å; R837-P852 PolarHBondContact NH1-O 2.86Å; R837-P852 PolarHBondContact NH2-O 3.17Å; R837-E936 WeakPolarHBondContact CD-OE2 3.08Å; R837-E936 HydrophobicContact CG-CB 4.18Å; R837-E936 IonicContact CZ-OE2 2.66Å; R837-E936 IonicContact NE-OE2 2.69Å; R837-E936 IonicContact NH1-OE2 3.23Å; R837-E936 PolarHBondContact NH1-OE2 2.9Å |
| 838 | L | 95 | Very high | 91.7 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 115.7 | 177.6 | -58.1 | -176.4 | 0 | 0 | 0 | 109.9 | P816 I821 F823 D840 Q841 F842 M938 | P816-L838 HydrophobicContact CG-CD1 3.82Å; I821-L838 HydrophobicContact CB-CD2 4.25Å; I821-L838 HydrophobicContact CD1-CD2 4.12Å; F823-L838 HydrophobicContact CB-CD2 4.18Å; L838-D840 VanDerWaalsContact C-N 3.27Å; L838-D840 PolarHBondContact O-N 2.8Å; L838-Q841 HydrophobicContact CB-CB 4.3Å; L838-Q841 HydrophobicContact CB-CG 4.43Å; L838-Q841 PolarHBondContact O-N 3.16Å; L838-F842 PolarHBondContact O-N 3Å; L838-M938 HydrophobicContact CD1-CE 3.72Å; L838-M938 HydrophobicContact CD1-SD 3.59Å; L838-M938 VanDerWaalsContact CD1-SD 3.59Å; L838-M938 HydrophobicContact CD2-SD 4.41Å; L838-M938 HydrophobicContact CG-CE 4.11Å; L838-M938 HydrophobicContact CG-SD 3.74Å |
| 839 | S | 91.7 | Very high | 91.1 | Very high | 17 Ų | 17 | 37.3 Ų | 37.3 | 12% | 0.119 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -22.4 | -172.7 | -64.1 | 0 | 0 | 0 | 0 | 113.1 | R822 L824 R837 | R822-S839 PolarHBondContact O-N 2.97Å; L824-S839 PolarHBondContact N-OG 2.96Å; R837-S839 PolarHBondContact O-N 3.29Å |
| 840 | D | 90.6 | Very high | 90.5 | Very high | 92 Ų | 92 | 40.1 Ų | 40.1 | 49% | 0.492 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -18.3 | 178 | -64.1 | -47 | 0 | 0 | 0 | 113.6 | R822 L838 | R822-D840 WeakPolarHBondContact CB-OD2 3.31Å; R822-D840 IonicContact CZ-OD1 2.69Å; R822-D840 VanDerWaalsContact CZ-OD1 3.29Å; R822-D840 IonicContact CZ-OD2 3.08Å; R822-D840 IonicContact NE-OD1 3.45Å; R822-D840 PolarHBondContact NE-OD1 2.85Å; R822-D840 VanDerWaalsContact NE-OD1 3.14Å; R822-D840 IonicContact NE-OD2 3.68Å; R822-D840 PolarHBondContact NE-OD2 3.46Å; R822-D840 IonicContact NH2-OD1 2.77Å; R822-D840 PolarHBondContact NH2-OD1 2.88Å; R822-D840 IonicContact NH2-OD2 2.75Å; L838-D840 VanDerWaalsContact C-N 3.27Å; L838-D840 PolarHBondContact O-N 2.8Å |
| 841 | Q | 91.4 | Very high | 89.8 | Confident | 83 Ų | 83 | 41.4 Ų | 41.4 | 39% | 0.388 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -40.5 | 175.6 | -66.2 | -178 | -2.8 | 0 | 0 | 112 | H814 L838 P843 | H814-Q841 PolarHBondContact O-NE2 3.27Å; H814-Q841 PolarHBondContact O-OE1 3.47Å; L838-Q841 HydrophobicContact CB-CB 4.3Å; L838-Q841 HydrophobicContact CB-CG 4.43Å; L838-Q841 PolarHBondContact O-N 3.16Å; Q841-P843 WeakPolarHBondContact O-CD 3.41Å |
| 842 | F | 92.8 | Very high | 89.4 | Confident | 28 Ų | 28 | 42 Ų | 42 | 12% | 0.123 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -129 | 76.4 | -172.7 | -49.7 | -69.7 | 0 | 0 | 0 | 109.5 | R837 L838 P934 E936 M938 | R837-F842 WeakPolarHBondContact CD-O 3.43Å; R837-F842 HydrophobicContact CG-CB 3.6Å; R837-F842 HydrophobicContact CG-CD2 4.29Å; R837-F842 HydrophobicContact CG-CG 4.37Å; R837-F842 PolarHBondContact NE-O 3.39Å; R837-F842 VanDerWaalsContact NE-O 3.09Å; L838-F842 PolarHBondContact O-N 3Å; F842-P934 HydrophobicContact CE1-CG 3.88Å; F842-P934 HydrophobicContact CZ-CB 4.47Å; F842-P934 HydrophobicContact CZ-CG 3.95Å; F842-E936 HydrophobicContact CB-CG 4.26Å; F842-E936 HydrophobicContact CD1-CG 3.92Å; F842-E936 HydrophobicContact CD2-CB 4.46Å; F842-E936 HydrophobicContact CD2-CG 4.45Å; F842-E936 HydrophobicContact CE1-CG 4.41Å; F842-E936 HydrophobicContact CG-CB 4.35Å; F842-E936 HydrophobicContact CG-CG 3.95Å; F842-M938 HydrophobicContact CE2-CE 3.98Å |
| 843 | P | 91.3 | Very high | 89.1 | Confident | 67 Ų | 67 | 42.4 Ų | 42.4 | 44% | 0.435 | 23% | 0.226 | S | C | . | . | trans | -61.2 | 161 | 179.7 | 26.7 | -35.1 | 0 | 0 | 0 | 111.6 | Q841 S854 | Q841-P843 WeakPolarHBondContact O-CD 3.41Å; P843-S854 WeakPolarHBondContact O-CA 3.36Å | ||
| 844 | T | 89.7 | Confident | 89 | Confident | 43 Ų | 43 | 42 Ų | 42 | 26% | 0.264 | 22% | 0.223 | S | C | . | . | trans | -91 | 108 | 175.6 | -59.1 | 0 | 0 | 0 | 0 | 109.2 | R837 P852 M853 | R837-T844 PolarHBondContact NH2-OG1 3.04Å; T844-P852 HydrophobicContact CG2-CB 3.56Å; T844-M853 CarbonylContact C-O 3.53Å; T844-M853 WeakPolarHBondContact CA-O 3.38Å | ||
| 845 | A | 88.8 | Confident | 88.9 | Confident | 50 Ų | 50 | 46.3 Ų | 46.3 | 41% | 0.413 | 25% | 0.246 | S | C | . | . | trans | -75.9 | -47.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | M853 D855 | A845-M853 PolarHBondContact N-O 3.23Å; A845-D855 WeakPolarHBondContact CB-OD1 3.48Å | ||
| 846 | I | 87.6 | Confident | 88.8 | Confident | 67 Ų | 67 | 46.8 Ų | 46.8 | 34% | 0.344 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 164.5 | -173.7 | -162.2 | 164 | 0 | 0 | 0 | 112.2 | M853 E858 | I846-M853 HydrophobicContact CG2-CB 3.94Å; I846-M853 HydrophobicContact CG2-CE 3.65Å; I846-M853 PolarHBondContact N-O 2.9Å; I846-M853 PolarHBondContact O-N 3.35Å; I846-E858 VanDerWaalsContact CB-OE2 3.25Å; I846-E858 WeakPolarHBondContact CB-OE2 3.48Å; I846-E858 HydrophobicContact CG2-CB 4.06Å; I846-E858 HydrophobicContact CG2-CG 4.05Å; I846-E858 WeakPolarHBondContact CG2-OE2 3.23Å |
| 847 | R | 83.3 | Confident | 88.7 | Confident | 74 Ų | 74 | 47.5 Ų | 47.5 | 28% | 0.279 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 115.2 | 168 | -72.4 | -177.9 | 173.9 | -82.5 | -9.7 | 111.1 | N850 F851 R974 N975 | R847-N850 PolarHBondContact NH1-O 2.65Å; R847-F851 VanDerWaalsContact CA-O 3.27Å; R847-F851 WeakPolarHBondContact CA-O 3.21Å; R847-R974 VanDerWaalsContact CZ-O 3.29Å; R847-R974 PolarHBondContact NH2-O 2.82Å; R847-N975 PolarHBondContact NE-OD1 3.11Å; R847-N975 VanDerWaalsContact NE-OD1 3.1Å; R847-N975 PolarHBondContact NH2-OD1 2.85Å |
| 848 | F | 82.1 | Confident | 88.6 | Confident | 62 Ų | 62 | 49 Ų | 49 | 27% | 0.272 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 123.6 | 177.4 | 179.7 | -92.2 | 0 | 0 | 0 | 109.1 | N850 F851 M853 Q861 R889 | F848-N850 PolarHBondContact O-N 3.22Å; F848-F851 PolarHBondContact N-O 2.73Å; F848-F851 WeakPolarHBondContact O-CB 3.15Å; F848-F851 PolarHBondContact O-N 2.91Å; F848-M853 HydrophobicContact CB-CE 3.59Å; F848-M853 HydrophobicContact CB-CG 4.41Å; F848-M853 HydrophobicContact CB-SD 3.85Å; F848-M853 HydrophobicContact CG-CE 4.25Å; F848-M853 HydrophobicContact CG-SD 4.45Å; F848-Q861 HydrophobicContact CE2-CG 4.43Å; F848-Q861 HydrophobicContact CZ-CG 4.39Å; F848-R889 HydrophobicContact CD1-CG 3.63Å; F848-R889 HydrophobicContact CE1-CG 3.66Å |
| 849 | L | 80.1 | Confident | 88.6 | Confident | 102 Ų | 102 | 54.3 Ų | 54.3 | 53% | 0.534 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 43.3 | -171.7 | -55.3 | 177.5 | 0 | 0 | 0 | 112.3 | F851 N888 | L849-F851 PolarHBondContact O-N 3.26Å; L849-F851 VanDerWaalsContact O-N 3.09Å; L849-N888 HydrophobicContact CD1-CB 3.98Å |
| 850 | N | 78.1 | Confident | 88.7 | Confident | 109 Ų | 109 | 53.6 Ų | 53.6 | 58% | 0.583 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | -12.3 | -170.2 | -63.7 | -67.4 | 0 | 0 | 0 | 117 | R847 F848 | R847-N850 PolarHBondContact NH1-O 2.65Å; F848-N850 PolarHBondContact O-N 3.22Å |
| 851 | F | 79.9 | Confident | 88.9 | Confident | 44 Ų | 44 | 49.7 Ų | 49.7 | 19% | 0.193 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 133.6 | 179.6 | -164.7 | -83.2 | 0 | 0 | 0 | 112.1 | L826 R847 F848 L849 M853 T911 | L826-F851 HydrophobicContact CD2-CZ 4.25Å; R847-F851 VanDerWaalsContact CA-O 3.27Å; R847-F851 WeakPolarHBondContact CA-O 3.21Å; F848-F851 PolarHBondContact N-O 2.73Å; F848-F851 WeakPolarHBondContact O-CB 3.15Å; F848-F851 PolarHBondContact O-N 2.91Å; L849-F851 PolarHBondContact O-N 3.26Å; L849-F851 VanDerWaalsContact O-N 3.09Å; F851-M853 HydrophobicContact CD1-CG 4.35Å; F851-M853 PolarHBondContact O-N 2.71Å; F851-T911 HydrophobicContact CE1-CG2 3.61Å; F851-T911 HydrophobicContact CZ-CG2 3.84Å |
| 852 | P | 84.9 | Confident | 89.1 | Confident | 13 Ų | 13 | 53 Ų | 53 | 8% | 0.084 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 110.5 | -179.1 | 30.8 | -33.8 | 0 | 0 | 0 | 112.8 | L824 L826 R837 T844 | L824-P852 HydrophobicContact CD2-CB 3.59Å; L824-P852 HydrophobicContact CD2-CG 3.59Å; L826-P852 HydrophobicContact CD2-CG 4.45Å; R837-P852 PolarHBondContact NH1-O 2.86Å; R837-P852 PolarHBondContact NH2-O 3.17Å; T844-P852 HydrophobicContact CG2-CB 3.56Å |
| 853 | M | 88.1 | Confident | 89.2 | Confident | 17 Ų | 17 | 53.7 Ų | 53.7 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 150.6 | 175.5 | -53.4 | -163.8 | -47.6 | 0 | 0 | 111.6 | T844 A845 I846 F848 F851 E858 Q861 | T844-M853 CarbonylContact C-O 3.53Å; T844-M853 WeakPolarHBondContact CA-O 3.38Å; A845-M853 PolarHBondContact N-O 3.23Å; I846-M853 HydrophobicContact CG2-CB 3.94Å; I846-M853 HydrophobicContact CG2-CE 3.65Å; I846-M853 PolarHBondContact N-O 2.9Å; I846-M853 PolarHBondContact O-N 3.35Å; F848-M853 HydrophobicContact CB-CE 3.59Å; F848-M853 HydrophobicContact CB-CG 4.41Å; F848-M853 HydrophobicContact CB-SD 3.85Å; F848-M853 HydrophobicContact CG-CE 4.25Å; F848-M853 HydrophobicContact CG-SD 4.45Å; F851-M853 HydrophobicContact CD1-CG 4.35Å; F851-M853 PolarHBondContact O-N 2.71Å; M853-E858 HydrophobicContact CE-CB 4.32Å; M853-Q861 HydrophobicContact CE-CB 4.21Å |
| 854 | S | 92.4 | Very high | 89.4 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | trans | -86.7 | 178.7 | 167.7 | 62.6 | 0 | 0 | 0 | 0 | 111.4 | P843 L856 G857 E858 E936 | P843-S854 WeakPolarHBondContact O-CA 3.36Å; S854-L856 PolarHBondContact O-N 3.36Å; S854-L856 PolarHBondContact OG-N 3.21Å; S854-G857 PolarHBondContact O-N 3.44Å; S854-G857 PolarHBondContact OG-N 2.86Å; S854-E858 VanDerWaalsContact O-CB 3.3Å; S854-E858 WeakPolarHBondContact O-CB 3.4Å; S854-E858 PolarHBondContact O-N 3.49Å; S854-E936 WeakPolarHBondContact CB-OE1 3.49Å; S854-E936 VanDerWaalsContact CB-OE2 3.31Å; S854-E936 WeakPolarHBondContact CB-OE2 3.04Å; S854-E936 PolarHBondContact OG-OE1 2.78Å; S854-E936 PolarHBondContact OG-OE2 3.23Å | ||
| 855 | D | 93.3 | Very high | 89.6 | Confident | 91 Ų | 91 | 52 Ų | 52 | 49% | 0.487 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.4 | -25.5 | 168.8 | -52.3 | -76.5 | 0 | 0 | 0 | 113.2 | A845 R859 | A845-D855 WeakPolarHBondContact CB-OD1 3.48Å; D855-R859 WeakPolarHBondContact O-CB 3.4Å; D855-R859 WeakPolarHBondContact O-CG 3.3Å; D855-R859 PolarHBondContact O-N 3.32Å; D855-R859 PolarHBondContact O-NE 3.28Å |
| 856 | L | 93.7 | Very high | 89.9 | Confident | 11 Ų | 11 | 54.8 Ų | 54.8 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -77.1 | -50.1 | 174.3 | 179.3 | 60.9 | 0 | 0 | 0 | 110.9 | S854 E858 R859 V860 F930 E936 | S854-L856 PolarHBondContact O-N 3.36Å; S854-L856 PolarHBondContact OG-N 3.21Å; L856-E858 VanDerWaalsContact C-N 3.27Å; L856-E858 PolarHBondContact O-N 2.97Å; L856-R859 PolarHBondContact O-N 3.14Å; L856-R859 VanDerWaalsContact O-N 3.16Å; L856-V860 HydrophobicContact CD1-CG2 4.21Å; L856-V860 WeakPolarHBondContact O-CG2 3.37Å; L856-V860 PolarHBondContact O-N 2.84Å; L856-F930 HydrophobicContact CD1-CD1 3.93Å; L856-E936 WeakPolarHBondContact CB-OE1 3.48Å |
| 857 | G | 92.5 | Very high | 90.1 | Very high | 15 Ų | 15 | 58.5 Ų | 58.5 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.7 | -37.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S854 Q861 | S854-G857 PolarHBondContact O-N 3.44Å; S854-G857 PolarHBondContact OG-N 2.86Å; G857-Q861 WeakPolarHBondContact O-CB 3.46Å; G857-Q861 PolarHBondContact O-N 2.9Å |
| 858 | E | 93.4 | Very high | 90.7 | Very high | 34 Ų | 34 | 59 Ų | 59 | 16% | 0.159 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65 | -42.4 | 174.2 | -173.6 | 173.9 | 146.4 | 0 | 0 | 112.7 | I846 M853 S854 L856 R862 | I846-E858 VanDerWaalsContact CB-OE2 3.25Å; I846-E858 WeakPolarHBondContact CB-OE2 3.48Å; I846-E858 HydrophobicContact CG2-CB 4.06Å; I846-E858 HydrophobicContact CG2-CG 4.05Å; I846-E858 WeakPolarHBondContact CG2-OE2 3.23Å; M853-E858 HydrophobicContact CE-CB 4.32Å; S854-E858 VanDerWaalsContact O-CB 3.3Å; S854-E858 WeakPolarHBondContact O-CB 3.4Å; S854-E858 PolarHBondContact O-N 3.49Å; L856-E858 VanDerWaalsContact C-N 3.27Å; L856-E858 PolarHBondContact O-N 2.97Å; E858-R862 WeakPolarHBondContact O-CB 3.44Å; E858-R862 WeakPolarHBondContact O-CG 3.29Å; E858-R862 PolarHBondContact O-N 2.93Å; E858-R862 IonicContact OE1-CZ 3.54Å; E858-R862 IonicContact OE1-NH1 3.29Å; E858-R862 PolarHBondContact OE1-NH1 2.79Å; E858-R862 IonicContact OE1-NH2 2.95Å; E858-R862 PolarHBondContact OE1-NH2 3.23Å |
| 859 | R | 94.8 | Very high | 91.2 | Very high | 119 Ų | 119 | 57.9 Ų | 57.9 | 45% | 0.449 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.9 | -41.6 | 175.2 | -74.6 | -179.4 | -60.2 | 144.5 | 2.9 | 112.4 | D855 L856 R862 H863 F930 | D855-R859 WeakPolarHBondContact O-CB 3.4Å; D855-R859 WeakPolarHBondContact O-CG 3.3Å; D855-R859 PolarHBondContact O-N 3.32Å; D855-R859 PolarHBondContact O-NE 3.28Å; L856-R859 PolarHBondContact O-N 3.14Å; L856-R859 VanDerWaalsContact O-N 3.16Å; R859-R862 PolarHBondContact O-N 3.24Å; R859-H863 VanDerWaalsContact O-CB 3.29Å; R859-H863 WeakPolarHBondContact O-CB 3.46Å; R859-H863 PolarHBondContact O-N 2.92Å; R859-F930 HydrophobicContact CB-CE1 3.86Å; R859-F930 HydrophobicContact CB-CZ 4.23Å |
| 860 | V | 94.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.6 | -48.4 | 176.2 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | L856 R862 H863 Y864 R892 F930 | L856-V860 HydrophobicContact CD1-CG2 4.21Å; L856-V860 WeakPolarHBondContact O-CG2 3.37Å; L856-V860 PolarHBondContact O-N 2.84Å; V860-R862 PolarHBondContact O-N 2.98Å; V860-H863 PolarHBondContact O-N 3.33Å; V860-Y864 HydrophobicContact CG1-CD2 4.05Å; V860-Y864 HydrophobicContact CG1-CE2 4.38Å; V860-Y864 WeakPolarHBondContact O-CD2 3.49Å; V860-Y864 PolarHBondContact O-N 3.34Å; V860-Y864 VanDerWaalsContact O-N 3.09Å; V860-R892 HydrophobicContact CG1-CG 4.39Å; V860-R892 HydrophobicContact CG2-CG 4.07Å; V860-F930 HydrophobicContact CG2-CB 4.38Å; V860-F930 HydrophobicContact CG2-CD1 3.83Å; V860-F930 HydrophobicContact CG2-CD2 3.9Å; V860-F930 HydrophobicContact CG2-CE1 4.03Å; V860-F930 HydrophobicContact CG2-CE2 4.1Å; V860-F930 HydrophobicContact CG2-CG 3.78Å; V860-F930 HydrophobicContact CG2-CZ 4.16Å |
| 861 | Q | 94.8 | Very high | 92.6 | Very high | 10 Ų | 10 | 56.2 Ų | 56.2 | 5% | 0.047 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.2 | -52.4 | 176.5 | -172.7 | 73.8 | 31.2 | 0 | 0 | 111.3 | F848 M853 G857 H863 Y864 E865 N888 | F848-Q861 HydrophobicContact CE2-CG 4.43Å; F848-Q861 HydrophobicContact CZ-CG 4.39Å; M853-Q861 HydrophobicContact CE-CB 4.21Å; G857-Q861 WeakPolarHBondContact O-CB 3.46Å; G857-Q861 PolarHBondContact O-N 2.9Å; Q861-H863 VanDerWaalsContact C-N 3.28Å; Q861-H863 PolarHBondContact O-N 3.35Å; Q861-Y864 PolarHBondContact O-N 3.05Å; Q861-E865 PolarHBondContact NE2-OE2 3.18Å; Q861-E865 WeakPolarHBondContact O-CB 3.47Å; Q861-E865 PolarHBondContact O-N 3.49Å; Q861-N888 PolarHBondContact NE2-O 3.35Å |
| 862 | R | 93.8 | Very high | 93.2 | Very high | 153 Ų | 153 | 59.6 Ų | 59.6 | 58% | 0.577 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60.3 | -36.9 | -179.7 | -78 | -169.6 | -177.1 | 119.2 | 12.3 | 113 | E858 R859 V860 | E858-R862 WeakPolarHBondContact O-CB 3.44Å; E858-R862 WeakPolarHBondContact O-CG 3.29Å; E858-R862 PolarHBondContact O-N 2.93Å; E858-R862 IonicContact OE1-CZ 3.54Å; E858-R862 IonicContact OE1-NH1 3.29Å; E858-R862 PolarHBondContact OE1-NH1 2.79Å; E858-R862 IonicContact OE1-NH2 2.95Å; E858-R862 PolarHBondContact OE1-NH2 3.23Å; R859-R862 PolarHBondContact O-N 3.24Å; V860-R862 PolarHBondContact O-N 2.98Å |
| 863 | H | 95.5 | Very high | 93.5 | Very high | 43 Ų | 43 | 59.3 Ų | 59.3 | 20% | 0.199 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.7 | -51.1 | -179 | -174.7 | 86.6 | 0 | 0 | 0 | 111.6 | R859 V860 Q861 L866 N869 F930 | R859-H863 VanDerWaalsContact O-CB 3.29Å; R859-H863 WeakPolarHBondContact O-CB 3.46Å; R859-H863 PolarHBondContact O-N 2.92Å; V860-H863 PolarHBondContact O-N 3.33Å; Q861-H863 VanDerWaalsContact C-N 3.28Å; Q861-H863 PolarHBondContact O-N 3.35Å; H863-L866 PolarHBondContact O-N 2.75Å; H863-N869 WeakPolarHBondContact O-CB 3.5Å; H863-N869 PolarHBondContact O-ND2 2.98Å; H863-F930 HydrophobicContact CB-CE2 3.73Å; H863-F930 HydrophobicContact CB-CZ 3.81Å; H863-F930 AromaticContact CD2-CE2 3.91Å; H863-F930 AromaticContact CG-CE2 3.75Å |
| 864 | Y | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -84.9 | -10.9 | -174.8 | -70.3 | -83.1 | 0 | 0 | 0 | 114.6 | V860 Q861 L866 R870 V883 Y890 S925 C926 V927 F930 | V860-Y864 HydrophobicContact CG1-CD2 4.05Å; V860-Y864 HydrophobicContact CG1-CE2 4.38Å; V860-Y864 WeakPolarHBondContact O-CD2 3.49Å; V860-Y864 PolarHBondContact O-N 3.34Å; V860-Y864 VanDerWaalsContact O-N 3.09Å; Q861-Y864 PolarHBondContact O-N 3.05Å; Y864-L866 PolarHBondContact O-N 3Å; Y864-R870 VanDerWaalsContact O-CG 3.3Å; Y864-R870 WeakPolarHBondContact O-CG 3.41Å; Y864-R870 PolarHBondContact O-NE 3.08Å; Y864-V883 HydrophobicContact CD1-CG1 4.38Å; Y864-V883 HydrophobicContact CD2-CG1 3.94Å; Y864-V883 HydrophobicContact CD2-CG2 4.41Å; Y864-V883 HydrophobicContact CE1-CB 4.39Å; Y864-V883 HydrophobicContact CE1-CG1 4.5Å; Y864-V883 HydrophobicContact CE2-CB 4.22Å; Y864-V883 HydrophobicContact CE2-CG1 4.07Å; Y864-V883 HydrophobicContact CE2-CG2 3.74Å; Y864-V883 HydrophobicContact CG-CG1 4.11Å; Y864-Y890 VanDerWaalsContact CB-CD1 3.43Å; Y864-Y890 VanDerWaalsContact CB-CG 3.43Å; Y864-Y890 HydrophobicContact CG-CD1 4.26Å; Y864-Y890 HydrophobicContact CG-CG 4.45Å; Y864-Y890 WeakPolarHBondContact O-CE2 3.41Å; Y864-Y890 VanDerWaalsContact O-CZ 3.24Å; Y864-Y890 PolarHBondContact O-OH 3.47Å; Y864-S925 PolarHBondContact OH-O 3.24Å; Y864-C926 WeakPolarHBondContact OH-CA 3.38Å; Y864-V927 PolarHBondContact OH-N 2.69Å; Y864-V927 VanDerWaalsContact OH-N 3.12Å; Y864-F930 HydrophobicContact CD2-CE2 4.48Å; Y864-F930 AromaticContact CE2-CD2 3.92Å; Y864-F930 HydrophobicContact CE2-CD2 3.92Å; Y864-F930 AromaticContact CE2-CE2 3.88Å; Y864-F930 HydrophobicContact CE2-CE2 3.88Å |
| 865 | E | 94.2 | Very high | 93.2 | Very high | 74 Ų | 74 | 69.6 Ų | 69.6 | 35% | 0.346 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.9 | -27.6 | 167.6 | -151.8 | 70.9 | -107.2 | 0 | 0 | 111.6 | Q861 E867 R870 K885 Y890 | Q861-E865 PolarHBondContact NE2-OE2 3.18Å; Q861-E865 WeakPolarHBondContact O-CB 3.47Å; Q861-E865 PolarHBondContact O-N 3.49Å; E865-E867 PolarHBondContact O-N 3.02Å; E865-R870 PolarHBondContact O-NH2 3.03Å; E865-R870 IonicContact OE1-NH2 3.64Å; E865-K885 IonicContact OE1-NZ 2.69Å; E865-K885 PolarHBondContact OE1-NZ 3.18Å; E865-Y890 HydrophobicContact CB-CE2 4.46Å |
| 866 | L | 95.3 | Very high | 93 | Very high | 109 Ų | 109 | 65.8 Ų | 65.8 | 57% | 0.571 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -73.5 | 120.2 | 170.9 | -60.9 | 175.7 | 0 | 0 | 0 | 110.5 | H863 Y864 A868 N869 | H863-L866 PolarHBondContact O-N 2.75Å; Y864-L866 PolarHBondContact O-N 3Å; L866-A868 VanDerWaalsContact C-N 3.27Å; L866-A868 PolarHBondContact O-N 3.21Å; L866-N869 PolarHBondContact O-N 2.69Å |
| 867 | E | 92.4 | Very high | 92.8 | Very high | 144 Ų | 144 | 68.6 Ų | 68.6 | 67% | 0.673 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -62.3 | -35.2 | -172.2 | -44 | -139.9 | 120.6 | 0 | 0 | 112.6 | E865 N869 R870 | E865-E867 PolarHBondContact O-N 3.02Å; E867-N869 PolarHBondContact O-N 3.1Å; E867-N869 VanDerWaalsContact O-N 3.09Å; E867-R870 WeakPolarHBondContact O-CB 3.47Å; E867-R870 PolarHBondContact O-N 3.24Å; E867-R870 IonicContact OE1-CZ 3.28Å; E867-R870 VanDerWaalsContact OE1-CZ 3.28Å; E867-R870 IonicContact OE1-NH1 2.65Å; E867-R870 PolarHBondContact OE1-NH1 2.94Å; E867-R870 IonicContact OE1-NH2 3.23Å; E867-R870 PolarHBondContact OE1-NH2 2.99Å |
| 868 | A | 94.2 | Very high | 92.6 | Very high | 84 Ų | 84 | 70.8 Ų | 70.8 | 69% | 0.694 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -61.2 | -15.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L866 H871 | L866-A868 VanDerWaalsContact C-N 3.27Å; L866-A868 PolarHBondContact O-N 3.21Å; A868-H871 PolarHBondContact O-CE1 3.4Å |
| 869 | N | 93.4 | Very high | 92.3 | Very high | 39 Ų | 39 | 71.5 Ų | 71.5 | 21% | 0.209 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -95.6 | -10.9 | 176.1 | -66.1 | -26.8 | 0 | 0 | 0 | 113 | H863 L866 E867 H871 | H863-N869 WeakPolarHBondContact O-CB 3.5Å; H863-N869 PolarHBondContact O-ND2 2.98Å; L866-N869 PolarHBondContact O-N 2.69Å; E867-N869 PolarHBondContact O-N 3.1Å; E867-N869 VanDerWaalsContact O-N 3.09Å; N869-H871 PolarHBondContact O-N 2.94Å; N869-H871 PolarHBondContact O-ND1 3.31Å; N869-H871 VanDerWaalsContact O-ND1 3.1Å |
| 870 | R | 93.6 | Very high | 92.1 | Very high | 57 Ų | 57 | 69 Ų | 69 | 22% | 0.215 | 37% | 0.371 | C | S | . | . | trans | -81 | 51.1 | -172.5 | -58.1 | -178.4 | -164.6 | 156.8 | 6.1 | 113.2 | Y864 E865 E867 M872 Y890 Y924 | Y864-R870 VanDerWaalsContact O-CG 3.3Å; Y864-R870 WeakPolarHBondContact O-CG 3.41Å; Y864-R870 PolarHBondContact O-NE 3.08Å; E865-R870 PolarHBondContact O-NH2 3.03Å; E865-R870 IonicContact OE1-NH2 3.64Å; E867-R870 WeakPolarHBondContact O-CB 3.47Å; E867-R870 PolarHBondContact O-N 3.24Å; E867-R870 IonicContact OE1-CZ 3.28Å; E867-R870 VanDerWaalsContact OE1-CZ 3.28Å; E867-R870 IonicContact OE1-NH1 2.65Å; E867-R870 PolarHBondContact OE1-NH1 2.94Å; E867-R870 IonicContact OE1-NH2 3.23Å; E867-R870 PolarHBondContact OE1-NH2 2.99Å; R870-M872 PolarHBondContact O-N 3.31Å; R870-Y890 VanDerWaalsContact CZ-OH 3.26Å; R870-Y890 PolarHBondContact NE-OH 3.05Å; R870-Y924 HydrophobicContact CB-CD1 3.93Å; R870-Y924 HydrophobicContact CB-CE1 3.76Å; R870-Y924 WeakPolarHBondContact O-CD1 3.43Å | ||
| 871 | H | 93.6 | Very high | 92.1 | Very high | 120 Ų | 120 | 70.6 Ų | 70.6 | 56% | 0.556 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 116.9 | 176 | -59.1 | 89.6 | 0 | 0 | 0 | 110.1 | A868 N869 Y924 S925 | A868-H871 PolarHBondContact O-CE1 3.4Å; N869-H871 PolarHBondContact O-N 2.94Å; N869-H871 PolarHBondContact O-ND1 3.31Å; N869-H871 VanDerWaalsContact O-ND1 3.1Å; H871-Y924 CarbonylContact O-C 3.56Å; H871-Y924 WeakPolarHBondContact O-CA 3.31Å; H871-Y924 WeakPolarHBondContact O-CB 3.41Å; H871-S925 PolarHBondContact O-N 3.45Å |
| 872 | M | 92.9 | Very high | 92.1 | Very high | 114 Ų | 114 | 70.1 Ų | 70.1 | 56% | 0.562 | 38% | 0.377 | S | S | * | . | B | Isolated β-bridge | trans | -58.7 | 142.7 | 174.3 | -83.6 | 175.2 | 45.5 | 0 | 0 | 111.1 | R870 P874 L923 | R870-M872 PolarHBondContact O-N 3.31Å; M872-P874 WeakPolarHBondContact O-CD 3.34Å; M872-L923 WeakPolarHBondContact CA-O 3.42Å |
| 873 | H | 91.3 | Very high | 92.2 | Very high | 8 Ų | 8 | 62.9 Ų | 62.9 | 4% | 0.037 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 118.8 | 178.6 | -159.8 | -64.7 | 0 | 0 | 0 | 110.4 | N875 P876 E880 L923 | H873-N875 PolarHBondContact CE1-O 2.88Å; H873-P876 HydrophobicContact CB-CG 4.32Å; H873-P876 WeakPolarHBondContact ND1-CA 3.43Å; H873-E880 IonicContact CE1-OE1 3.81Å; H873-E880 IonicContact CE1-OE2 3.2Å; H873-E880 PolarHBondContact CE1-OE2 3.35Å; H873-E880 VanDerWaalsContact NE2-CD 3.27Å; H873-E880 IonicContact NE2-OE1 3.14Å; H873-E880 PolarHBondContact NE2-OE1 3.06Å; H873-E880 IonicContact NE2-OE2 2.67Å; H873-E880 PolarHBondContact NE2-OE2 3.28Å; H873-L923 HydrophobicContact CB-CB 3.89Å; H873-L923 PolarHBondContact N-O 3.04Å |
| 874 | P | 85.4 | Confident | 92.2 | Very high | 118 Ų | 118 | 60.8 Ų | 60.8 | 77% | 0.766 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -74 | -34.5 | -166.7 | 27.4 | -34.9 | 0 | 0 | 0 | 113.4 | M872 | M872-P874 WeakPolarHBondContact O-CD 3.34Š|
| 875 | N | 88.6 | Confident | 92.1 | Very high | 116 Ų | 116 | 64.2 Ų | 64.2 | 62% | 0.62 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -153.8 | 91.3 | 176.5 | -179.1 | 38.2 | 0 | 0 | 0 | 109.5 | H873 V877 | H873-N875 PolarHBondContact CE1-O 2.88Å; N875-V877 PolarHBondContact O-N 3.2Å |
| 876 | P | 89.7 | Confident | 91.8 | Very high | 12 Ų | 12 | 61.7 Ų | 61.7 | 8% | 0.078 | 34% | 0.344 | C | S | . | . | trans | -60.3 | 134.2 | 179.7 | -23.4 | 34 | 0 | 0 | 0 | 112.2 | H873 I895 V898 V904 T920 L923 | H873-P876 HydrophobicContact CB-CG 4.32Å; H873-P876 WeakPolarHBondContact ND1-CA 3.43Å; P876-I895 HydrophobicContact CB-CD1 3.8Å; P876-V898 HydrophobicContact CB-CG2 4.18Å; P876-V898 WeakPolarHBondContact O-CG2 3.08Å; P876-V904 HydrophobicContact CB-CG1 4.4Å; P876-V904 HydrophobicContact CB-CG2 4.25Å; P876-V904 HydrophobicContact CG-CG2 4.21Å; P876-T920 HydrophobicContact CG-CG2 3.79Å; P876-L923 HydrophobicContact CB-CD2 4.2Å; P876-L923 HydrophobicContact CG-CD2 4.17Å | ||
| 877 | V | 89.8 | Confident | 91.2 | Very high | 69 Ų | 69 | 60.4 Ų | 60.4 | 42% | 0.418 | 34% | 0.337 | S | S | . | . | trans | -124.9 | 137.1 | 177 | -174.6 | 0 | 0 | 0 | 0 | 110.6 | N875 G879 E880 I895 | N875-V877 PolarHBondContact O-N 3.2Å; V877-G879 PolarHBondContact O-N 3.25Å; V877-E880 WeakPolarHBondContact O-CB 3.08Å; V877-E880 PolarHBondContact O-N 2.98Å; V877-I895 WeakPolarHBondContact O-CB 3.27Å | ||
| 878 | P | 87.7 | Confident | 90.9 | Very high | 61 Ų | 61 | 58.8 Ų | 58.8 | 40% | 0.396 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 128 | 172.9 | -26.6 | 36.5 | 0 | 0 | 0 | 112.6 | V898 | P878-V898 HydrophobicContact CG-CG2 4.45Š|
| 879 | G | 85.8 | Confident | 90.7 | Very high | 50 Ų | 50 | 56 Ų | 56 | 52% | 0.515 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.5 | -22 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V877 I895 | V877-G879 PolarHBondContact O-N 3.25Å; G879-I895 PolarHBondContact N-O 2.51Å |
| 880 | E | 91.1 | Very high | 90.7 | Very high | 65 Ų | 65 | 54.5 Ų | 54.5 | 30% | 0.304 | 30% | 0.295 | S | S | . | . | trans | -77.7 | 151.5 | -179.5 | -177.7 | 168.5 | -159 | 0 | 0 | 112.7 | H873 V877 I895 | H873-E880 IonicContact CE1-OE1 3.81Å; H873-E880 IonicContact CE1-OE2 3.2Å; H873-E880 PolarHBondContact CE1-OE2 3.35Å; H873-E880 VanDerWaalsContact NE2-CD 3.27Å; H873-E880 IonicContact NE2-OE1 3.14Å; H873-E880 PolarHBondContact NE2-OE1 3.06Å; H873-E880 IonicContact NE2-OE2 2.67Å; H873-E880 PolarHBondContact NE2-OE2 3.28Å; V877-E880 WeakPolarHBondContact O-CB 3.08Å; V877-E880 PolarHBondContact O-N 2.98Å; E880-I895 HydrophobicContact CB-CD1 4.1Å; E880-I895 PolarHBondContact O-N 2.87Å | ||
| 881 | M | 94.5 | Very high | 90.7 | Very high | 37 Ų | 37 | 52.1 Ų | 52.1 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 126.6 | 175.2 | -164 | -171.6 | -57.1 | 0 | 0 | 111.2 | R892 V893 L909 C926 | M881-R892 HydrophobicContact SD-CB 4.34Å; M881-V893 CarbonylContact C-O 3.59Å; M881-V893 VanDerWaalsContact CA-O 3.28Å; M881-V893 WeakPolarHBondContact CA-O 3.35Å; M881-V893 VanDerWaalsContact CG-O 3.3Å; M881-V893 WeakPolarHBondContact CG-O 3.38Å; M881-L909 HydrophobicContact CE-CD1 4.03Å; M881-L909 HydrophobicContact CG-CD1 3.87Å; M881-L909 HydrophobicContact SD-CD1 3.97Å; M881-C926 HydrophobicContact CB-CB 4.46Å; M881-C926 HydrophobicContact CG-CB 4.38Å; M881-C926 WeakPolarHBondContact O-CB 3.45Å |
| 882 | A | 95.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | -178.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V893 I895 L923 | A882-V893 HydrophobicContact CB-CG2 3.92Å; A882-V893 PolarHBondContact N-O 2.73Å; A882-V893 PolarHBondContact O-N 2.76Å; A882-I895 HydrophobicContact CB-CD1 4.18Å; A882-I895 HydrophobicContact CB-CG1 4.41Å; A882-L923 HydrophobicContact CB-CD2 3.95Å; A882-L923 HydrophobicContact CB-CG 4.17Å |
| 883 | V | 96.6 | Very high | 91 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 141.8 | 173.2 | 174.6 | 0 | 0 | 0 | 0 | 109.9 | Y864 Y890 E891 R892 Y924 C926 | Y864-V883 HydrophobicContact CD1-CG1 4.38Å; Y864-V883 HydrophobicContact CD2-CG1 3.94Å; Y864-V883 HydrophobicContact CD2-CG2 4.41Å; Y864-V883 HydrophobicContact CE1-CB 4.39Å; Y864-V883 HydrophobicContact CE1-CG1 4.5Å; Y864-V883 HydrophobicContact CE2-CB 4.22Å; Y864-V883 HydrophobicContact CE2-CG1 4.07Å; Y864-V883 HydrophobicContact CE2-CG2 3.74Å; Y864-V883 HydrophobicContact CG-CG1 4.11Å; V883-Y890 HydrophobicContact CG1-CD1 4.22Å; V883-E891 WeakPolarHBondContact CA-O 3.23Å; V883-R892 HydrophobicContact CG2-CG 4.39Å; V883-Y924 PolarHBondContact N-O 2.94Å; V883-Y924 PolarHBondContact O-N 2.74Å; V883-C926 HydrophobicContact CG2-CB 4.23Å |
| 884 | V | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 157 | 176.1 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | N886 Y890 E891 V893 V906 Y918 L923 | V884-N886 HydrophobicContact CG2-CB 4.42Å; V884-Y890 WeakPolarHBondContact O-CA 3.3Å; V884-E891 PolarHBondContact N-O 2.77Å; V884-E891 PolarHBondContact O-N 2.88Å; V884-V893 HydrophobicContact CB-CG1 4.48Å; V884-V893 HydrophobicContact CG1-CG1 4.19Å; V884-V893 HydrophobicContact CG1-CG2 4.05Å; V884-V893 HydrophobicContact CG2-CG1 3.63Å; V884-V906 HydrophobicContact CG1-CG2 4.45Å; V884-Y918 HydrophobicContact CB-CE1 4.38Å; V884-Y918 HydrophobicContact CB-CE2 4.33Å; V884-Y918 HydrophobicContact CG1-CD2 4.19Å; V884-Y918 HydrophobicContact CG1-CE2 4.34Å; V884-Y918 HydrophobicContact CG1-CG 4.38Å; V884-Y918 HydrophobicContact CG2-CE1 4.42Å; V884-Y918 HydrophobicContact CG2-CE2 3.89Å; V884-L923 HydrophobicContact CG1-CD1 3.82Å; V884-L923 HydrophobicContact CG1-CG 4.04Å |
| 885 | K | 93.6 | Very high | 91.4 | Very high | 71 Ų | 71 | 37 Ų | 37 | 31% | 0.309 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 105.4 | 169.8 | -160.9 | 173.1 | -158.6 | 152.7 | 0 | 110.5 | E865 R889 Y890 | E865-K885 IonicContact OE1-NZ 2.69Å; E865-K885 PolarHBondContact OE1-NZ 3.18Å; K885-R889 CarbonylContact C-O 3.57Å; K885-R889 VanDerWaalsContact CA-O 3.32Å; K885-R889 WeakPolarHBondContact CA-O 3.44Å; K885-Y890 HydrophobicContact CB-CD1 4.12Å; K885-Y890 HydrophobicContact CB-CE1 3.82Å; K885-Y890 HydrophobicContact CD-CE1 3.97Å; K885-Y890 HydrophobicContact CD-CE2 4.03Å; K885-Y890 WeakPolarHBondContact CD-OH 3.39Å; K885-Y890 WeakPolarHBondContact CE-OH 3.04Å; K885-Y890 HydrophobicContact CG-CD1 4.31Å; K885-Y890 HydrophobicContact CG-CE1 3.95Å; K885-Y890 HydrophobicContact CG-CE2 4.32Å; K885-Y890 PolarHBondContact NZ-OH 3.48Å |
| 886 | N | 88.2 | Confident | 91.4 | Very high | 22 Ų | 22 | 33.8 Ų | 33.8 | 12% | 0.118 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 111.4 | -176.7 | -176.9 | 15.1 | 0 | 0 | 0 | 111.5 | V884 N888 R889 E891 Y918 | V884-N886 HydrophobicContact CG2-CB 4.42Å; N886-N888 PolarHBondContact O-N 3.13Å; N886-R889 PolarHBondContact N-O 3.1Å; N886-R889 PolarHBondContact O-N 3.26Å; N886-R889 VanDerWaalsContact O-N 3.1Å; N886-R889 PolarHBondContact O-NH2 2.88Å; N886-E891 WeakPolarHBondContact CB-OE2 3.33Å; N886-E891 PolarHBondContact ND2-OE2 2.97Å; N886-Y918 WeakPolarHBondContact CB-OH 3.5Å |
| 887 | I | 82.1 | Confident | 91.3 | Very high | 81 Ų | 81 | 35.1 Ų | 35.1 | 42% | 0.415 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 62.4 | -177 | -50.9 | 170.4 | 0 | 0 | 0 | 110.1 | T232 R889 | T232-I887 HydrophobicContact CG2-CD1 3.91Å; I887-R889 PolarHBondContact O-N 2.71Å |
| 888 | N | 85.6 | Confident | 91 | Very high | 110 Ų | 110 | 35 Ų | 35 | 59% | 0.588 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 6.3 | -178.9 | -60.6 | -23.5 | 0 | 0 | 0 | 117 | L849 Q861 N886 | L849-N888 HydrophobicContact CD1-CB 3.98Å; Q861-N888 PolarHBondContact NE2-O 3.35Å; N886-N888 PolarHBondContact O-N 3.13Å |
| 889 | R | 90.3 | Very high | 90.7 | Very high | 25 Ų | 25 | 36 Ų | 36 | 9% | 0.094 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 147.5 | 175.9 | -65.5 | 168.1 | -58.1 | 109.5 | 32.9 | 111.4 | F848 K885 N886 I887 E891 | F848-R889 HydrophobicContact CD1-CG 3.63Å; F848-R889 HydrophobicContact CE1-CG 3.66Å; K885-R889 CarbonylContact C-O 3.57Å; K885-R889 VanDerWaalsContact CA-O 3.32Å; K885-R889 WeakPolarHBondContact CA-O 3.44Å; N886-R889 PolarHBondContact N-O 3.1Å; N886-R889 PolarHBondContact O-N 3.26Å; N886-R889 VanDerWaalsContact O-N 3.1Å; N886-R889 PolarHBondContact O-NH2 2.88Å; I887-R889 PolarHBondContact O-N 2.71Å; R889-E891 HydrophobicContact CB-CG 4.41Å; R889-E891 IonicContact CZ-OE1 2.96Å; R889-E891 IonicContact NH1-OE1 3.13Å; R889-E891 PolarHBondContact NH1-OE1 2.9Å; R889-E891 IonicContact NH2-OE1 3.1Å; R889-E891 PolarHBondContact NH2-OE1 2.86Å; R889-E891 IonicContact NH2-OE2 3.87Å |
| 890 | Y | 94.3 | Very high | 89.8 | Confident | 8 Ų | 8 | 39.2 Ų | 39.2 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 120.5 | 170.4 | -68.7 | -83.3 | 0 | 0 | 0 | 109.6 | Y864 E865 R870 V883 V884 K885 Y924 | Y864-Y890 VanDerWaalsContact CB-CD1 3.43Å; Y864-Y890 VanDerWaalsContact CB-CG 3.43Å; Y864-Y890 HydrophobicContact CG-CD1 4.26Å; Y864-Y890 HydrophobicContact CG-CG 4.45Å; Y864-Y890 WeakPolarHBondContact O-CE2 3.41Å; Y864-Y890 VanDerWaalsContact O-CZ 3.24Å; Y864-Y890 PolarHBondContact O-OH 3.47Å; E865-Y890 HydrophobicContact CB-CE2 4.46Å; R870-Y890 VanDerWaalsContact CZ-OH 3.26Å; R870-Y890 PolarHBondContact NE-OH 3.05Å; V883-Y890 HydrophobicContact CG1-CD1 4.22Å; V884-Y890 WeakPolarHBondContact O-CA 3.3Å; K885-Y890 HydrophobicContact CB-CD1 4.12Å; K885-Y890 HydrophobicContact CB-CE1 3.82Å; K885-Y890 HydrophobicContact CD-CE1 3.97Å; K885-Y890 HydrophobicContact CD-CE2 4.03Å; K885-Y890 WeakPolarHBondContact CD-OH 3.39Å; K885-Y890 WeakPolarHBondContact CE-OH 3.04Å; K885-Y890 HydrophobicContact CG-CD1 4.31Å; K885-Y890 HydrophobicContact CG-CE1 3.95Å; K885-Y890 HydrophobicContact CG-CE2 4.32Å; K885-Y890 PolarHBondContact NZ-OH 3.48Å; Y890-Y924 HydrophobicContact CD1-CD2 4.45Å; Y890-Y924 HydrophobicContact CD1-CE2 4.33Å; Y890-Y924 HydrophobicContact CE1-CD2 4.27Å; Y890-Y924 AromaticContact CE1-CE2 3.79Å; Y890-Y924 HydrophobicContact CE1-CE2 3.79Å |
| 891 | E | 93.9 | Very high | 88.8 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 3% | 0.033 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 136.7 | -173.5 | -62.9 | -176.9 | 140.8 | 0 | 0 | 110.2 | V883 V884 N886 R889 L908 T911 | V883-E891 WeakPolarHBondContact CA-O 3.23Å; V884-E891 PolarHBondContact N-O 2.77Å; V884-E891 PolarHBondContact O-N 2.88Å; N886-E891 WeakPolarHBondContact CB-OE2 3.33Å; N886-E891 PolarHBondContact ND2-OE2 2.97Å; R889-E891 HydrophobicContact CB-CG 4.41Å; R889-E891 IonicContact CZ-OE1 2.96Å; R889-E891 IonicContact NH1-OE1 3.13Å; R889-E891 PolarHBondContact NH1-OE1 2.9Å; R889-E891 IonicContact NH2-OE1 3.1Å; R889-E891 PolarHBondContact NH2-OE1 2.86Å; R889-E891 IonicContact NH2-OE2 3.87Å; E891-L908 HydrophobicContact CB-CD2 4.49Å; E891-L908 WeakPolarHBondContact OE2-CD1 3.29Å; E891-T911 HydrophobicContact CG-CG2 4.29Å; E891-T911 WeakPolarHBondContact OE1-CB 3.46Å; E891-T911 WeakPolarHBondContact OE1-CG2 3.48Å; E891-T911 PolarHBondContact OE1-OG1 2.91Å |
| 892 | R | 96 | Very high | 88.1 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 138.7 | 171.5 | -56.6 | -173.8 | -55.2 | 150.7 | 4 | 109.7 | V860 M881 V883 L909 D910 F930 S933 P934 | V860-R892 HydrophobicContact CG1-CG 4.39Å; V860-R892 HydrophobicContact CG2-CG 4.07Å; M881-R892 HydrophobicContact SD-CB 4.34Å; V883-R892 HydrophobicContact CG2-CG 4.39Å; R892-L909 HydrophobicContact CB-CB 4.44Å; R892-L909 HydrophobicContact CB-CD1 4.19Å; R892-L909 PolarHBondContact O-N 3.27Å; R892-L909 VanDerWaalsContact O-N 3.1Å; R892-D910 IonicContact CZ-OD1 3.92Å; R892-D910 IonicContact CZ-OD2 3.04Å; R892-D910 IonicContact NE-OD1 2.66Å; R892-D910 IonicContact NE-OD2 2.76Å; R892-D910 PolarHBondContact NE-OD2 2.89Å; R892-D910 IonicContact NH2-OD1 2.76Å; R892-D910 PolarHBondContact NH2-OD1 2.92Å; R892-D910 IonicContact NH2-OD2 2.69Å; R892-D910 PolarHBondContact NH2-OD2 3.4Å; R892-F930 WeakPolarHBondContact CD-O 3.36Å; R892-F930 PolarHBondContact NH1-O 3.23Å; R892-S933 PolarHBondContact NH1-O 3.49Å; R892-P934 PolarHBondContact NH2-O 3.04Å |
| 893 | V | 95.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 152.5 | -177.9 | -49.3 | 0 | 0 | 0 | 0 | 111.2 | M881 A882 V884 V906 Q907 L908 | M881-V893 CarbonylContact C-O 3.59Å; M881-V893 VanDerWaalsContact CA-O 3.28Å; M881-V893 WeakPolarHBondContact CA-O 3.35Å; M881-V893 VanDerWaalsContact CG-O 3.3Å; M881-V893 WeakPolarHBondContact CG-O 3.38Å; A882-V893 HydrophobicContact CB-CG2 3.92Å; A882-V893 PolarHBondContact N-O 2.73Å; A882-V893 PolarHBondContact O-N 2.76Å; V884-V893 HydrophobicContact CB-CG1 4.48Å; V884-V893 HydrophobicContact CG1-CG1 4.19Å; V884-V893 HydrophobicContact CG1-CG2 4.05Å; V884-V893 HydrophobicContact CG2-CG1 3.63Å; V893-V906 HydrophobicContact CB-CB 3.8Å; V893-V906 HydrophobicContact CB-CG2 3.8Å; V893-V906 HydrophobicContact CG1-CB 4.49Å; V893-V906 HydrophobicContact CG1-CG2 3.93Å; V893-V906 HydrophobicContact CG2-CB 3.65Å; V893-V906 HydrophobicContact CG2-CG1 3.94Å; V893-V906 HydrophobicContact CG2-CG2 3.82Å; V893-Q907 CarbonylContact C-O 3.55Å; V893-Q907 WeakPolarHBondContact CA-O 3.48Å; V893-Q907 WeakPolarHBondContact CB-O 3.48Å; V893-L908 HydrophobicContact CG1-CD2 3.52Å |
| 894 | H | 93.3 | Very high | 87.5 | Confident | 42 Ų | 42 | 45.7 Ų | 45.7 | 19% | 0.194 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 125.4 | 170.9 | 173.6 | -58.1 | 0 | 0 | 0 | 108.7 | V896 V906 Q907 L909 | H894-V896 PolarHBondContact O-N 2.77Å; H894-V906 WeakPolarHBondContact O-CA 3.34Å; H894-Q907 PolarHBondContact N-O 3.13Å; H894-Q907 PolarHBondContact O-N 3.22Å; H894-L909 HydrophobicContact CB-CD1 4.35Å; H894-L909 HydrophobicContact CB-CD2 3.95Å; H894-L909 HydrophobicContact CB-CG 4.39Å |
| 895 | I | 92.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 122.6 | 179.5 | -62.7 | 156.2 | 0 | 0 | 0 | 108.7 | P876 V877 G879 E880 A882 V898 V904 V906 L923 | P876-I895 HydrophobicContact CB-CD1 3.8Å; V877-I895 WeakPolarHBondContact O-CB 3.27Å; G879-I895 PolarHBondContact N-O 2.51Å; E880-I895 HydrophobicContact CB-CD1 4.1Å; E880-I895 PolarHBondContact O-N 2.87Å; A882-I895 HydrophobicContact CB-CD1 4.18Å; A882-I895 HydrophobicContact CB-CG1 4.41Å; I895-V898 HydrophobicContact CG2-CG2 4.15Å; I895-V904 HydrophobicContact CB-CG1 4.46Å; I895-V904 HydrophobicContact CG1-CG1 4.2Å; I895-V904 HydrophobicContact CG2-CG1 3.61Å; I895-V906 HydrophobicContact CG1-CG1 4.17Å; I895-L923 HydrophobicContact CD1-CD2 4.06Å; I895-L923 HydrophobicContact CG1-CD2 4Å |
| 896 | V | 88.8 | Confident | 87.4 | Confident | 50 Ų | 50 | 44.5 Ų | 44.5 | 30% | 0.303 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -46.2 | -177.4 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | H894 L905 Q907 | H894-V896 PolarHBondContact O-N 2.77Å; V896-L905 HydrophobicContact CB-CD2 4.28Å; V896-L905 HydrophobicContact CB-CG 4.27Å; V896-L905 WeakPolarHBondContact CB-O 3.45Å; V896-L905 HydrophobicContact CG1-CD2 4.15Å; V896-L905 PolarHBondContact N-O 2.86Å; V896-Q907 HydrophobicContact CG2-CB 3.77Å |
| 897 | S | 86.5 | Confident | 87.6 | Confident | 40 Ų | 40 | 44.9 Ų | 44.9 | 28% | 0.28 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 151.1 | 175.1 | 50.8 | 0 | 0 | 0 | 0 | 110.9 | L905 | S897-L905 PolarHBondContact N-O 2.93Å; S897-L905 PolarHBondContact O-N 2.7Å; S897-L905 WeakPolarHBondContact OG-CB 3.3Å |
| 898 | V | 84.7 | Confident | 88.2 | Confident | 66 Ų | 66 | 41.2 Ų | 41.2 | 40% | 0.4 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 130.3 | 169.4 | -178.5 | 0 | 0 | 0 | 0 | 107.2 | P876 P878 I895 V904 | P876-V898 HydrophobicContact CB-CG2 4.18Å; P876-V898 WeakPolarHBondContact O-CG2 3.08Å; P878-V898 HydrophobicContact CG-CG2 4.45Å; I895-V898 HydrophobicContact CG2-CG2 4.15Å; V898-V904 HydrophobicContact CG2-CG1 4.27Å |
| 899 | E | 80.4 | Confident | 88.6 | Confident | 83 Ų | 83 | 36.2 Ų | 36.2 | 39% | 0.388 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 150.6 | -178.5 | -62.9 | 172 | -169.9 | 0 | 0 | 109.7 | N901 A902 M903 | E899-N901 PolarHBondContact O-N 3.32Å; E899-A902 PolarHBondContact O-N 2.81Å; E899-M903 HydrophobicContact CB-CB 4.26Å; E899-M903 PolarHBondContact N-O 2.92Å |
| 900 | S | 67.8 | Low | 88.7 | Confident | 117 Ų | 117 | 35.4 Ų | 35.4 | 82% | 0.818 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -22.8 | -175.2 | 48.7 | 0 | 0 | 0 | 0 | 114.4 | A902 | S900-A902 VanDerWaalsContact C-N 3.25Å; S900-A902 PolarHBondContact O-N 2.79Å |
| 901 | N | 69.1 | Low | 88.4 | Confident | 132 Ų | 132 | 35.9 Ų | 35.9 | 71% | 0.706 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 25.9 | -174.9 | -61.1 | -13.5 | 0 | 0 | 0 | 113.7 | E899 M903 | E899-N901 PolarHBondContact O-N 3.32Å; N901-M903 HydrophobicContact CB-CG 4.44Å; N901-M903 PolarHBondContact O-N 2.95Å |
| 902 | A | 80.4 | Confident | 88.3 | Confident | 60 Ų | 60 | 35.7 Ų | 35.7 | 50% | 0.496 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 30.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E899 S900 K919 T920 | E899-A902 PolarHBondContact O-N 2.81Å; S900-A902 VanDerWaalsContact C-N 3.25Å; S900-A902 PolarHBondContact O-N 2.79Å; A902-K919 WeakPolarHBondContact O-CA 3.49Å; A902-T920 PolarHBondContact O-N 2.88Å; A902-T920 PolarHBondContact O-OG1 3.01Å |
| 903 | M | 89.5 | Confident | 88.1 | Confident | 46 Ų | 46 | 36.7 Ų | 36.7 | 23% | 0.227 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 145.5 | 172.1 | -65.5 | -60.9 | -61.8 | 0 | 0 | 109.3 | E899 N901 S917 Y918 K919 | E899-M903 HydrophobicContact CB-CB 4.26Å; E899-M903 PolarHBondContact N-O 2.92Å; N901-M903 HydrophobicContact CB-CG 4.44Å; N901-M903 PolarHBondContact O-N 2.95Å; M903-S917 WeakPolarHBondContact CE-OG 3.25Å; M903-Y918 CarbonylContact C-O 3.57Å; M903-Y918 WeakPolarHBondContact CA-O 3.42Å; M903-Y918 VanDerWaalsContact CE-C 3.44Å; M903-K919 HydrophobicContact CE-CG 4.45Å; M903-K919 HydrophobicContact SD-CB 4.34Å; M903-K919 HydrophobicContact SD-CG 3.55Å; M903-K919 VanDerWaalsContact SD-CG 3.55Å |
| 904 | V | 90.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 121.2 | -178.4 | -170.2 | 0 | 0 | 0 | 0 | 108.3 | P876 I895 V898 V906 S917 Y918 T920 L923 | P876-V904 HydrophobicContact CB-CG1 4.4Å; P876-V904 HydrophobicContact CB-CG2 4.25Å; P876-V904 HydrophobicContact CG-CG2 4.21Å; I895-V904 HydrophobicContact CB-CG1 4.46Å; I895-V904 HydrophobicContact CG1-CG1 4.2Å; I895-V904 HydrophobicContact CG2-CG1 3.61Å; V898-V904 HydrophobicContact CG2-CG1 4.27Å; V904-V906 HydrophobicContact CB-CG1 4.35Å; V904-V906 HydrophobicContact CG1-CG1 3.73Å; V904-S917 WeakPolarHBondContact O-CA 3.28Å; V904-Y918 PolarHBondContact N-O 3.42Å; V904-Y918 PolarHBondContact O-N 2.95Å; V904-T920 WeakPolarHBondContact CG2-OG1 3.49Å; V904-L923 HydrophobicContact CB-CD1 4.32Å; V904-L923 HydrophobicContact CB-CD2 4.26Å; V904-L923 HydrophobicContact CG1-CD2 3.93Å; V904-L923 HydrophobicContact CG2-CD2 4.4Å |
| 905 | L | 92.3 | Very high | 87.6 | Confident | 45 Ų | 45 | 41.2 Ų | 41.2 | 24% | 0.236 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 119.1 | 172.2 | -174.4 | 68.5 | 0 | 0 | 0 | 108.4 | V896 S897 C915 | V896-L905 HydrophobicContact CB-CD2 4.28Å; V896-L905 HydrophobicContact CB-CG 4.27Å; V896-L905 WeakPolarHBondContact CB-O 3.45Å; V896-L905 HydrophobicContact CG1-CD2 4.15Å; V896-L905 PolarHBondContact N-O 2.86Å; S897-L905 PolarHBondContact N-O 2.93Å; S897-L905 PolarHBondContact O-N 2.7Å; S897-L905 WeakPolarHBondContact OG-CB 3.3Å; L905-C915 HydrophobicContact CD1-CB 3.85Å; L905-C915 HydrophobicContact CG-CB 4.15Å |
| 906 | V | 93.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 138.5 | -177.7 | -51.7 | 0 | 0 | 0 | 0 | 111.2 | V884 V893 H894 I895 V904 C915 F916 Y918 L923 | V884-V906 HydrophobicContact CG1-CG2 4.45Å; V893-V906 HydrophobicContact CB-CB 3.8Å; V893-V906 HydrophobicContact CB-CG2 3.8Å; V893-V906 HydrophobicContact CG1-CB 4.49Å; V893-V906 HydrophobicContact CG1-CG2 3.93Å; V893-V906 HydrophobicContact CG2-CB 3.65Å; V893-V906 HydrophobicContact CG2-CG1 3.94Å; V893-V906 HydrophobicContact CG2-CG2 3.82Å; H894-V906 WeakPolarHBondContact O-CA 3.34Å; I895-V906 HydrophobicContact CG1-CG1 4.17Å; V904-V906 HydrophobicContact CB-CG1 4.35Å; V904-V906 HydrophobicContact CG1-CG1 3.73Å; V906-C915 CarbonylContact O-C 3.58Å; V906-C915 VanDerWaalsContact O-CA 3.23Å; V906-C915 WeakPolarHBondContact O-CA 3.36Å; V906-F916 PolarHBondContact N-O 2.89Å; V906-F916 PolarHBondContact O-N 3.25Å; V906-Y918 HydrophobicContact CG2-CD2 3.68Å; V906-Y918 HydrophobicContact CG2-CE2 3.92Å; V906-L923 HydrophobicContact CG1-CD1 4.24Å; V906-L923 HydrophobicContact CG1-CD2 4.14Å |
| 907 | Q | 93.7 | Very high | 87.7 | Confident | 30 Ų | 30 | 45 Ų | 45 | 14% | 0.14 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 128.8 | 173.4 | 173.2 | 167.5 | 70.4 | 0 | 0 | 109.5 | V893 H894 V896 T913 E914 | V893-Q907 CarbonylContact C-O 3.55Å; V893-Q907 WeakPolarHBondContact CA-O 3.48Å; V893-Q907 WeakPolarHBondContact CB-O 3.48Å; H894-Q907 PolarHBondContact N-O 3.13Å; H894-Q907 PolarHBondContact O-N 3.22Å; V896-Q907 HydrophobicContact CG2-CB 3.77Å; Q907-T913 PolarHBondContact NE2-O 2.83Å; Q907-E914 WeakPolarHBondContact CA-O 3.35Å |
| 908 | L | 93.9 | Very high | 87.9 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 148.4 | 171.9 | -57.4 | -171.2 | 0 | 0 | 0 | 110.7 | E891 V893 S912 E914 F916 | E891-L908 HydrophobicContact CB-CD2 4.49Å; E891-L908 WeakPolarHBondContact OE2-CD1 3.29Å; V893-L908 HydrophobicContact CG1-CD2 3.52Å; L908-S912 CarbonylContact C-O 3.43Å; L908-S912 VanDerWaalsContact C-O 3.28Å; L908-S912 WeakPolarHBondContact CB-O 3.44Å; L908-E914 PolarHBondContact N-O 2.84Å; L908-F916 HydrophobicContact CD1-CD2 3.94Å; L908-F916 HydrophobicContact CD1-CE2 3.51Å; L908-F916 HydrophobicContact CD1-CZ 4.46Å; L908-F916 HydrophobicContact CD2-CD2 4.28Å; L908-F916 HydrophobicContact CG-CD2 3.82Å; L908-F916 HydrophobicContact CG-CE2 3.81Å |
| 909 | L | 94.1 | Very high | 88.3 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -110.3 | -28 | -175.1 | -64.9 | 178.9 | 0 | 0 | 0 | 115.1 | M881 R892 H894 R935 E936 A937 | M881-L909 HydrophobicContact CE-CD1 4.03Å; M881-L909 HydrophobicContact CG-CD1 3.87Å; M881-L909 HydrophobicContact SD-CD1 3.97Å; R892-L909 HydrophobicContact CB-CB 4.44Å; R892-L909 HydrophobicContact CB-CD1 4.19Å; R892-L909 PolarHBondContact O-N 3.27Å; R892-L909 VanDerWaalsContact O-N 3.1Å; H894-L909 HydrophobicContact CB-CD1 4.35Å; H894-L909 HydrophobicContact CB-CD2 3.95Å; H894-L909 HydrophobicContact CB-CG 4.39Å; L909-R935 HydrophobicContact CB-CB 4.21Å; L909-R935 HydrophobicContact CD2-CB 4.29Å; L909-E936 PolarHBondContact O-N 2.95Å; L909-A937 WeakPolarHBondContact O-CB 3.48Å; L909-A937 PolarHBondContact O-N 2.87Å |
| 910 | D | 92.4 | Very high | 88.7 | Confident | 9 Ų | 9 | 44.5 Ų | 44.5 | 5% | 0.048 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -122.3 | -13.7 | -165.7 | -57.4 | -41.9 | 0 | 0 | 0 | 114.9 | R892 E936 | R892-D910 IonicContact CZ-OD1 3.92Å; R892-D910 IonicContact CZ-OD2 3.04Å; R892-D910 IonicContact NE-OD1 2.66Å; R892-D910 IonicContact NE-OD2 2.76Å; R892-D910 PolarHBondContact NE-OD2 2.89Å; R892-D910 IonicContact NH2-OD1 2.76Å; R892-D910 PolarHBondContact NH2-OD1 2.92Å; R892-D910 IonicContact NH2-OD2 2.69Å; R892-D910 PolarHBondContact NH2-OD2 3.4Å; D910-E936 HydrophobicContact CB-CB 4.22Å; D910-E936 HydrophobicContact CB-CG 4.49Å; D910-E936 PolarHBondContact OD1-N 3.4Å; D910-E936 VanDerWaalsContact OD1-N 3.13Å |
| 911 | T | 88.3 | Confident | 89.8 | Confident | 17 Ų | 17 | 42.2 Ų | 42.2 | 10% | 0.104 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -131.7 | -18.6 | -168.1 | 59.3 | 0 | 0 | 0 | 0 | 114 | L826 F851 E891 | L826-T911 WeakPolarHBondContact CB-O 3.33Å; F851-T911 HydrophobicContact CE1-CG2 3.61Å; F851-T911 HydrophobicContact CZ-CG2 3.84Å; E891-T911 HydrophobicContact CG-CG2 4.29Å; E891-T911 WeakPolarHBondContact OE1-CB 3.46Å; E891-T911 WeakPolarHBondContact OE1-CG2 3.48Å; E891-T911 PolarHBondContact OE1-OG1 2.91Å |
| 912 | S | 90.9 | Very high | 90.9 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 3% | 0.028 | 22% | 0.222 | C | C | . | . | trans | -160.5 | 165 | 173.7 | -170.3 | 0 | 0 | 0 | 0 | 106.8 | Y829 L908 E914 A937 | Y829-S912 PolarHBondContact OH-OG 2.93Å; L908-S912 CarbonylContact C-O 3.43Å; L908-S912 VanDerWaalsContact C-O 3.28Å; L908-S912 WeakPolarHBondContact CB-O 3.44Å; S912-E914 WeakPolarHBondContact OG-CB 3.47Å; S912-E914 WeakPolarHBondContact OG-CG 3.21Å; S912-E914 PolarHBondContact OG-N 3.49Å; S912-E914 PolarHBondContact OG-OE2 2.76Å; S912-A937 WeakPolarHBondContact O-CB 3.39Å | ||
| 913 | T | 90.9 | Very high | 91.6 | Very high | 21 Ų | 21 | 37.3 Ų | 37.3 | 13% | 0.129 | 20% | 0.198 | C | C | . | . | trans | -104.5 | 6.9 | 166.4 | 58.7 | 0 | 0 | 0 | 0 | 112.7 | Y829 A835 Q907 A937 D939 | Y829-T913 PolarHBondContact OH-N 2.9Å; Y829-T913 PolarHBondContact OH-OG1 2.79Å; A835-T913 HydrophobicContact CB-CG2 4.36Å; Q907-T913 PolarHBondContact NE2-O 2.83Å; T913-A937 HydrophobicContact CG2-CB 4.02Å; T913-D939 HydrophobicContact CG2-CB 4.49Å | ||
| 914 | E | 89.6 | Confident | 91.8 | Very high | 77 Ų | 77 | 37 Ų | 37 | 36% | 0.36 | 20% | 0.195 | S | C | . | . | trans | -67.2 | 155 | 177.3 | -77.9 | 162.6 | 138.4 | 0 | 0 | 113.4 | Y829 Q907 L908 S912 F916 | Y829-E914 HydrophobicContact CD1-CG 4.2Å; Y829-E914 HydrophobicContact CE1-CG 3.47Å; Y829-E914 VanDerWaalsContact CE1-CG 3.47Å; Q907-E914 WeakPolarHBondContact CA-O 3.35Å; L908-E914 PolarHBondContact N-O 2.84Å; S912-E914 WeakPolarHBondContact OG-CB 3.47Å; S912-E914 WeakPolarHBondContact OG-CG 3.21Å; S912-E914 PolarHBondContact OG-N 3.49Å; S912-E914 PolarHBondContact OG-OE2 2.76Å; E914-F916 HydrophobicContact CB-CD2 4.3Å; E914-F916 HydrophobicContact CB-CE2 3.5Å; E914-F916 HydrophobicContact CB-CZ 3.86Å | ||
| 915 | C | 90.2 | Very high | 92 | Very high | 60 Ų | 60 | 38.7 Ų | 38.7 | 41% | 0.405 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 136.5 | 171.2 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | L905 V906 | L905-C915 HydrophobicContact CD1-CB 3.85Å; L905-C915 HydrophobicContact CG-CB 4.15Å; V906-C915 CarbonylContact O-C 3.58Å; V906-C915 VanDerWaalsContact O-CA 3.23Å; V906-C915 WeakPolarHBondContact O-CA 3.36Å |
| 916 | F | 90.3 | Very high | 92.1 | Very high | 70 Ų | 70 | 36.9 Ų | 36.9 | 31% | 0.307 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 147.5 | 178 | -63.3 | -90.4 | 0 | 0 | 0 | 109.9 | V906 L908 E914 Y918 | V906-F916 PolarHBondContact N-O 2.89Å; V906-F916 PolarHBondContact O-N 3.25Å; L908-F916 HydrophobicContact CD1-CD2 3.94Å; L908-F916 HydrophobicContact CD1-CE2 3.51Å; L908-F916 HydrophobicContact CD1-CZ 4.46Å; L908-F916 HydrophobicContact CD2-CD2 4.28Å; L908-F916 HydrophobicContact CG-CD2 3.82Å; L908-F916 HydrophobicContact CG-CE2 3.81Å; E914-F916 HydrophobicContact CB-CD2 4.3Å; E914-F916 HydrophobicContact CB-CE2 3.5Å; E914-F916 HydrophobicContact CB-CZ 3.86Å; F916-Y918 HydrophobicContact CB-CD2 4.16Å; F916-Y918 HydrophobicContact CB-CE2 3.61Å |
| 917 | S | 91.9 | Very high | 92.1 | Very high | 58 Ų | 58 | 39 Ų | 39 | 41% | 0.406 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 123.1 | 176 | -168.9 | 0 | 0 | 0 | 0 | 110.1 | M903 V904 | M903-S917 WeakPolarHBondContact CE-OG 3.25Å; V904-S917 WeakPolarHBondContact O-CA 3.28Å |
| 918 | Y | 92.1 | Very high | 91.8 | Very high | 26 Ų | 26 | 43 Ų | 43 | 10% | 0.102 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 156.5 | 178.4 | -73.1 | -87.8 | 0 | 0 | 0 | 110.3 | V884 N886 M903 V904 V906 F916 Q922 | V884-Y918 HydrophobicContact CB-CE1 4.38Å; V884-Y918 HydrophobicContact CB-CE2 4.33Å; V884-Y918 HydrophobicContact CG1-CD2 4.19Å; V884-Y918 HydrophobicContact CG1-CE2 4.34Å; V884-Y918 HydrophobicContact CG1-CG 4.38Å; V884-Y918 HydrophobicContact CG2-CE1 4.42Å; V884-Y918 HydrophobicContact CG2-CE2 3.89Å; N886-Y918 WeakPolarHBondContact CB-OH 3.5Å; M903-Y918 CarbonylContact C-O 3.57Å; M903-Y918 WeakPolarHBondContact CA-O 3.42Å; M903-Y918 VanDerWaalsContact CE-C 3.44Å; V904-Y918 PolarHBondContact N-O 3.42Å; V904-Y918 PolarHBondContact O-N 2.95Å; V906-Y918 HydrophobicContact CG2-CD2 3.68Å; V906-Y918 HydrophobicContact CG2-CE2 3.92Å; F916-Y918 HydrophobicContact CB-CD2 4.16Å; F916-Y918 HydrophobicContact CB-CE2 3.61Å; Y918-Q922 HydrophobicContact CD1-CB 4.23Å |
| 919 | K | 92.2 | Very high | 91.6 | Very high | 118 Ų | 118 | 47.6 Ų | 47.6 | 51% | 0.513 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 148.1 | 167.5 | -66.1 | 178.8 | 178 | -175.2 | 0 | 109.7 | A902 M903 S921 Q922 | A902-K919 WeakPolarHBondContact O-CA 3.49Å; M903-K919 HydrophobicContact CE-CG 4.45Å; M903-K919 HydrophobicContact SD-CB 4.34Å; M903-K919 HydrophobicContact SD-CG 3.55Å; M903-K919 VanDerWaalsContact SD-CG 3.55Å; K919-S921 PolarHBondContact O-N 3.42Å; K919-S921 VanDerWaalsContact O-N 3.11Å; K919-Q922 HydrophobicContact CB-CG 4.21Å; K919-Q922 WeakPolarHBondContact O-CB 3.44Å; K919-Q922 PolarHBondContact O-N 3.15Å |
| 920 | T | 89.8 | Confident | 91.5 | Very high | 36 Ų | 36 | 47.6 Ų | 47.6 | 22% | 0.221 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -51.9 | -35.3 | 173.3 | -62.7 | 0 | 0 | 0 | 0 | 112.5 | P876 A902 V904 Q922 L923 | P876-T920 HydrophobicContact CG-CG2 3.79Å; A902-T920 PolarHBondContact O-N 2.88Å; A902-T920 PolarHBondContact O-OG1 3.01Å; V904-T920 WeakPolarHBondContact CG2-OG1 3.49Å; T920-Q922 PolarHBondContact O-N 2.91Å; T920-Q922 VanDerWaalsContact O-N 3.16Å; T920-L923 PolarHBondContact O-N 3.09Å |
| 921 | S | 89.8 | Confident | 91.4 | Very high | 69 Ų | 69 | 50 Ų | 50 | 48% | 0.483 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -70.2 | -2.4 | 176.2 | 55.4 | 0 | 0 | 0 | 0 | 115.7 | K919 | K919-S921 PolarHBondContact O-N 3.42Å; K919-S921 VanDerWaalsContact O-N 3.11Å |
| 922 | Q | 91.9 | Very high | 91.3 | Very high | 88 Ų | 88 | 55.9 Ų | 55.9 | 41% | 0.411 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -107 | -1.9 | 175.7 | -60.5 | 173.5 | -58.9 | 0 | 0 | 112.6 | Y918 K919 T920 | Y918-Q922 HydrophobicContact CD1-CB 4.23Å; K919-Q922 HydrophobicContact CB-CG 4.21Å; K919-Q922 WeakPolarHBondContact O-CB 3.44Å; K919-Q922 PolarHBondContact O-N 3.15Å; T920-Q922 PolarHBondContact O-N 2.91Å; T920-Q922 VanDerWaalsContact O-N 3.16Å |
| 923 | L | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 134.1 | 170.8 | -91.4 | 67.7 | 0 | 0 | 0 | 110.4 | M872 H873 P876 A882 V884 I895 V904 V906 T920 | M872-L923 WeakPolarHBondContact CA-O 3.42Å; H873-L923 HydrophobicContact CB-CB 3.89Å; H873-L923 PolarHBondContact N-O 3.04Å; P876-L923 HydrophobicContact CB-CD2 4.2Å; P876-L923 HydrophobicContact CG-CD2 4.17Å; A882-L923 HydrophobicContact CB-CD2 3.95Å; A882-L923 HydrophobicContact CB-CG 4.17Å; V884-L923 HydrophobicContact CG1-CD1 3.82Å; V884-L923 HydrophobicContact CG1-CG 4.04Å; I895-L923 HydrophobicContact CD1-CD2 4.06Å; I895-L923 HydrophobicContact CG1-CD2 4Å; V904-L923 HydrophobicContact CB-CD1 4.32Å; V904-L923 HydrophobicContact CB-CD2 4.26Å; V904-L923 HydrophobicContact CG1-CD2 3.93Å; V904-L923 HydrophobicContact CG2-CD2 4.4Å; V906-L923 HydrophobicContact CG1-CD1 4.24Å; V906-L923 HydrophobicContact CG1-CD2 4.14Å; T920-L923 PolarHBondContact O-N 3.09Å |
| 924 | Y | 95.6 | Very high | 91.4 | Very high | 39 Ų | 39 | 58.5 Ų | 58.5 | 15% | 0.153 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 148.3 | 169.3 | -52.1 | -66.7 | 0 | 0 | 0 | 110.4 | R870 H871 V883 Y890 C926 | R870-Y924 HydrophobicContact CB-CD1 3.93Å; R870-Y924 HydrophobicContact CB-CE1 3.76Å; R870-Y924 WeakPolarHBondContact O-CD1 3.43Å; H871-Y924 CarbonylContact O-C 3.56Å; H871-Y924 WeakPolarHBondContact O-CA 3.31Å; H871-Y924 WeakPolarHBondContact O-CB 3.41Å; V883-Y924 PolarHBondContact N-O 2.94Å; V883-Y924 PolarHBondContact O-N 2.74Å; Y890-Y924 HydrophobicContact CD1-CD2 4.45Å; Y890-Y924 HydrophobicContact CD1-CE2 4.33Å; Y890-Y924 HydrophobicContact CE1-CD2 4.27Å; Y890-Y924 AromaticContact CE1-CE2 3.79Å; Y890-Y924 HydrophobicContact CE1-CE2 3.79Å; Y924-C926 PolarHBondContact O-N 3Å |
| 925 | S | 94.4 | Very high | 91.5 | Very high | 37 Ų | 37 | 56.5 Ų | 56.5 | 26% | 0.259 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 126.5 | 172.9 | -58.4 | 0 | 0 | 0 | 0 | 110.3 | Y864 H871 | Y864-S925 PolarHBondContact OH-O 3.24Å; H871-S925 PolarHBondContact O-N 3.45Å |
| 926 | C | 94.7 | Very high | 91.7 | Very high | 6 Ų | 6 | 53.9 Ų | 53.9 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 128.9 | 170.9 | -165.5 | 0 | 0 | 0 | 0 | 108.9 | Y864 M881 V883 Y924 K931 | Y864-C926 WeakPolarHBondContact OH-CA 3.38Å; M881-C926 HydrophobicContact CB-CB 4.46Å; M881-C926 HydrophobicContact CG-CB 4.38Å; M881-C926 WeakPolarHBondContact O-CB 3.45Å; V883-C926 HydrophobicContact CG2-CB 4.23Å; Y924-C926 PolarHBondContact O-N 3Å; C926-K931 HydrophobicContact CB-CG 4.11Å; C926-K931 WeakPolarHBondContact O-CE 3.36Å |
| 927 | V | 92.6 | Very high | 91.9 | Very high | 44 Ų | 44 | 50.6 Ų | 50.6 | 27% | 0.267 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 145.1 | 174.6 | -68.9 | 0 | 0 | 0 | 0 | 110.9 | Y864 I929 F930 K931 | Y864-V927 PolarHBondContact OH-N 2.69Å; Y864-V927 VanDerWaalsContact OH-N 3.12Å; V927-I929 HydrophobicContact CB-CG1 4.31Å; V927-I929 HydrophobicContact CG2-CD1 4.11Å; V927-I929 HydrophobicContact CG2-CG1 3.6Å; V927-I929 PolarHBondContact O-N 3.03Å; V927-I929 VanDerWaalsContact O-N 3.09Å; V927-F930 HydrophobicContact CG2-CD2 3.33Å; V927-F930 HydrophobicContact CG2-CE2 3.6Å; V927-F930 HydrophobicContact CG2-CG 4.17Å; V927-F930 PolarHBondContact O-N 3.48Å; V927-K931 PolarHBondContact O-N 2.78Å |
| 928 | E | 88.5 | Confident | 92.1 | Very high | 114 Ų | 114 | 47.9 Ų | 47.9 | 53% | 0.533 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -52 | -39.2 | -170.9 | -56.2 | -51.6 | 130.6 | 0 | 0 | 113.8 | F930 K931 D932 | E928-F930 PolarHBondContact O-N 3.49Å; E928-K931 PolarHBondContact O-N 3.35Å; E928-K931 WeakPolarHBondContact OE1-CE 3.43Å; E928-K931 IonicContact OE1-NZ 2.66Å; E928-K931 PolarHBondContact OE1-NZ 3.28Å; E928-K931 WeakPolarHBondContact OE2-CD 3.36Å; E928-K931 IonicContact OE2-NZ 3.66Å; E928-D932 PolarHBondContact O-N 2.66Å |
| 929 | I | 88.8 | Confident | 92.3 | Very high | 102 Ų | 102 | 47.4 Ų | 47.4 | 52% | 0.523 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -55.9 | -14.6 | 175.9 | 62.1 | 167 | 0 | 0 | 0 | 114.9 | V927 | V927-I929 HydrophobicContact CB-CG1 4.31Å; V927-I929 HydrophobicContact CG2-CD1 4.11Å; V927-I929 HydrophobicContact CG2-CG1 3.6Å; V927-I929 PolarHBondContact O-N 3.03Å; V927-I929 VanDerWaalsContact O-N 3.09Å |
| 930 | F | 92.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -113.9 | -10.7 | 175 | -57.5 | -38.1 | 0 | 0 | 0 | 113.5 | L856 R859 V860 H863 Y864 R892 V927 E928 | L856-F930 HydrophobicContact CD1-CD1 3.93Å; R859-F930 HydrophobicContact CB-CE1 3.86Å; R859-F930 HydrophobicContact CB-CZ 4.23Å; V860-F930 HydrophobicContact CG2-CB 4.38Å; V860-F930 HydrophobicContact CG2-CD1 3.83Å; V860-F930 HydrophobicContact CG2-CD2 3.9Å; V860-F930 HydrophobicContact CG2-CE1 4.03Å; V860-F930 HydrophobicContact CG2-CE2 4.1Å; V860-F930 HydrophobicContact CG2-CG 3.78Å; V860-F930 HydrophobicContact CG2-CZ 4.16Å; H863-F930 HydrophobicContact CB-CE2 3.73Å; H863-F930 HydrophobicContact CB-CZ 3.81Å; H863-F930 AromaticContact CD2-CE2 3.91Å; H863-F930 AromaticContact CG-CE2 3.75Å; Y864-F930 HydrophobicContact CD2-CE2 4.48Å; Y864-F930 AromaticContact CE2-CD2 3.92Å; Y864-F930 HydrophobicContact CE2-CD2 3.92Å; Y864-F930 AromaticContact CE2-CE2 3.88Å; Y864-F930 HydrophobicContact CE2-CE2 3.88Å; R892-F930 WeakPolarHBondContact CD-O 3.36Å; R892-F930 PolarHBondContact NH1-O 3.23Å; V927-F930 HydrophobicContact CG2-CD2 3.33Å; V927-F930 HydrophobicContact CG2-CE2 3.6Å; V927-F930 HydrophobicContact CG2-CG 4.17Å; V927-F930 PolarHBondContact O-N 3.48Å; E928-F930 PolarHBondContact O-N 3.49Å |
| 931 | K | 89.3 | Confident | 92.8 | Very high | 59 Ų | 59 | 42.4 Ų | 42.4 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -76.1 | -40.1 | 172.8 | -64.9 | -168.1 | -166.8 | 163.1 | 0 | 111.8 | C926 V927 E928 S933 | C926-K931 HydrophobicContact CB-CG 4.11Å; C926-K931 WeakPolarHBondContact O-CE 3.36Å; V927-K931 PolarHBondContact O-N 2.78Å; E928-K931 PolarHBondContact O-N 3.35Å; E928-K931 WeakPolarHBondContact OE1-CE 3.43Å; E928-K931 IonicContact OE1-NZ 2.66Å; E928-K931 PolarHBondContact OE1-NZ 3.28Å; E928-K931 WeakPolarHBondContact OE2-CD 3.36Å; E928-K931 IonicContact OE2-NZ 3.66Å; K931-S933 PolarHBondContact O-N 3.32Å |
| 932 | D | 86.9 | Confident | 93.2 | Very high | 141 Ų | 141 | 39.4 Ų | 39.4 | 75% | 0.754 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -64.6 | -18.5 | -179.3 | -65.4 | -27 | 0 | 0 | 0 | 114.2 | E928 | E928-D932 PolarHBondContact O-N 2.66Š|
| 933 | S | 90.3 | Very high | 93.3 | Very high | 27 Ų | 27 | 36.3 Ų | 36.3 | 19% | 0.189 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -81.3 | 135.2 | -177.3 | -62.6 | 0 | 0 | 0 | 0 | 111.6 | R892 K931 | R892-S933 PolarHBondContact NH1-O 3.49Å; K931-S933 PolarHBondContact O-N 3.32Å |
| 934 | P | 92.3 | Very high | 93.3 | Very high | 54 Ų | 54 | 36.3 Ų | 36.3 | 35% | 0.351 | 19% | 0.188 | S | C | . | . | P | Polyproline II helix | trans | -62.4 | 165.6 | 177 | 28.5 | -36.4 | 0 | 0 | 0 | 112 | F842 R892 | F842-P934 HydrophobicContact CE1-CG 3.88Å; F842-P934 HydrophobicContact CZ-CB 4.47Å; F842-P934 HydrophobicContact CZ-CG 3.95Å; R892-P934 PolarHBondContact NH2-O 3.04Å |
| 935 | R | 92.9 | Very high | 93.3 | Very high | 35 Ų | 35 | 34.5 Ų | 34.5 | 13% | 0.132 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -75 | 139.8 | 174.3 | 65.4 | 178.8 | 67.3 | -142.4 | -1.8 | 110.4 | Y815 L909 | Y815-R935 HydrophobicContact CE2-CG 4.39Å; L909-R935 HydrophobicContact CB-CB 4.21Å; L909-R935 HydrophobicContact CD2-CB 4.29Å |
| 936 | E | 94.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 32.8 Ų | 32.8 | 2% | 0.023 | 17% | 0.168 | C | C | . | . | trans | -94.2 | -26.4 | 179.2 | -59.7 | -171.2 | 175.4 | 0 | 0 | 114.3 | R837 F842 S854 L856 L909 D910 | R837-E936 WeakPolarHBondContact CD-OE2 3.08Å; R837-E936 HydrophobicContact CG-CB 4.18Å; R837-E936 IonicContact CZ-OE2 2.66Å; R837-E936 IonicContact NE-OE2 2.69Å; R837-E936 IonicContact NH1-OE2 3.23Å; R837-E936 PolarHBondContact NH1-OE2 2.9Å; F842-E936 HydrophobicContact CB-CG 4.26Å; F842-E936 HydrophobicContact CD1-CG 3.92Å; F842-E936 HydrophobicContact CD2-CB 4.46Å; F842-E936 HydrophobicContact CD2-CG 4.45Å; F842-E936 HydrophobicContact CE1-CG 4.41Å; F842-E936 HydrophobicContact CG-CB 4.35Å; F842-E936 HydrophobicContact CG-CG 3.95Å; S854-E936 WeakPolarHBondContact CB-OE1 3.49Å; S854-E936 VanDerWaalsContact CB-OE2 3.31Å; S854-E936 WeakPolarHBondContact CB-OE2 3.04Å; S854-E936 PolarHBondContact OG-OE1 2.78Å; S854-E936 PolarHBondContact OG-OE2 3.23Å; L856-E936 WeakPolarHBondContact CB-OE1 3.48Å; L909-E936 PolarHBondContact O-N 2.95Å; D910-E936 HydrophobicContact CB-CB 4.22Å; D910-E936 HydrophobicContact CB-CG 4.49Å; D910-E936 PolarHBondContact OD1-N 3.4Å; D910-E936 VanDerWaalsContact OD1-N 3.13Å | ||
| 937 | A | 94.6 | Very high | 93 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | trans | -87.1 | 126.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L826 L909 S912 T913 | L826-A937 HydrophobicContact CD1-CB 3.85Å; L909-A937 WeakPolarHBondContact O-CB 3.48Å; L909-A937 PolarHBondContact O-N 2.87Å; S912-A937 WeakPolarHBondContact O-CB 3.39Å; T913-A937 HydrophobicContact CG2-CB 4.02Å | ||
| 938 | M | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 139.2 | 178.7 | -53 | -173.9 | 177.3 | 0 | 0 | 109.9 | Y815 A835 V836 L838 F842 I990 | Y815-M938 HydrophobicContact CD1-SD 4.29Å; Y815-M938 HydrophobicContact CD2-CE 3.83Å; Y815-M938 HydrophobicContact CD2-CG 4.49Å; Y815-M938 HydrophobicContact CD2-SD 4.04Å; Y815-M938 HydrophobicContact CE1-CB 4.02Å; Y815-M938 HydrophobicContact CE1-CG 4.08Å; Y815-M938 HydrophobicContact CE1-SD 4.24Å; Y815-M938 HydrophobicContact CE2-CE 3.87Å; Y815-M938 HydrophobicContact CE2-CG 3.85Å; Y815-M938 HydrophobicContact CE2-SD 3.99Å; Y815-M938 HydrophobicContact CG-CE 4.45Å; Y815-M938 HydrophobicContact CG-SD 4.19Å; A835-M938 WeakPolarHBondContact CA-O 3.33Å; V836-M938 HydrophobicContact CG2-CB 4.26Å; V836-M938 PolarHBondContact N-O 2.67Å; V836-M938 PolarHBondContact O-N 3.2Å; L838-M938 HydrophobicContact CD1-CE 3.72Å; L838-M938 HydrophobicContact CD1-SD 3.59Å; L838-M938 VanDerWaalsContact CD1-SD 3.59Å; L838-M938 HydrophobicContact CD2-SD 4.41Å; L838-M938 HydrophobicContact CG-CE 4.11Å; L838-M938 HydrophobicContact CG-SD 3.74Å; F842-M938 HydrophobicContact CE2-CE 3.98Å; M938-I990 HydrophobicContact CB-CD1 4.06Å; M938-I990 HydrophobicContact CG-CD1 4.49Å; M938-I990 HydrophobicContact SD-CD1 3.64Å |
| 939 | D | 95.6 | Very high | 92.4 | Very high | 16 Ų | 16 | 30.2 Ų | 30.2 | 9% | 0.086 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 121.9 | 171.1 | -176.8 | -1.4 | 0 | 0 | 0 | 108.6 | T913 R941 T989 I990 | T913-D939 HydrophobicContact CG2-CB 4.49Å; D939-R941 VanDerWaalsContact CG-NE 3.31Å; D939-R941 VanDerWaalsContact OD1-CG 3.3Å; D939-R941 WeakPolarHBondContact OD1-CG 3.26Å; D939-R941 IonicContact OD1-CZ 2.69Å; D939-R941 IonicContact OD1-NE 3.41Å; D939-R941 PolarHBondContact OD1-NE 3.05Å; D939-R941 IonicContact OD1-NH2 3.1Å; D939-R941 IonicContact OD2-CZ 2.67Å; D939-R941 IonicContact OD2-NE 2.68Å; D939-R941 PolarHBondContact OD2-NE 2.91Å; D939-R941 IonicContact OD2-NH2 2.73Å; D939-R941 PolarHBondContact OD2-NH2 3.02Å; D939-T989 CarbonylContact O-C 3.55Å; D939-T989 WeakPolarHBondContact O-CA 3.26Å; D939-I990 PolarHBondContact O-N 3.16Å |
| 940 | L | 97.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 126.3 | -179.3 | -178.9 | 144.7 | 0 | 0 | 0 | 110.1 | I821 F823 L834 V836 I990 V992 I995 | I821-L940 HydrophobicContact CD1-CD1 3.57Å; F823-L940 HydrophobicContact CD1-CD1 4.41Å; F823-L940 HydrophobicContact CE1-CD1 4.04Å; F823-L940 HydrophobicContact CZ-CD1 4.19Å; F823-L940 HydrophobicContact CZ-CD2 4.17Å; L834-L940 HydrophobicContact CD1-CD2 4.36Å; L834-L940 PolarHBondContact N-O 2.82Å; L834-L940 PolarHBondContact O-N 2.59Å; V836-L940 HydrophobicContact CG1-CB 4.04Å; V836-L940 HydrophobicContact CG2-CB 3.72Å; V836-L940 HydrophobicContact CG2-CD1 4.07Å; V836-L940 HydrophobicContact CG2-CG 4.48Å; L940-I990 WeakPolarHBondContact CA-O 3.42Å; L940-I990 HydrophobicContact CD1-CB 4.46Å; L940-I990 HydrophobicContact CD1-CG2 4.2Å; L940-V992 HydrophobicContact CD1-CG1 4.15Å; L940-V992 HydrophobicContact CD2-CG2 3.99Å; L940-V992 HydrophobicContact CG-CG1 4.39Å; L940-V992 HydrophobicContact CG-CG2 4.44Å; L940-I995 HydrophobicContact CD2-CD1 3.35Å; L940-I995 HydrophobicContact CD2-CG1 4.02Å |
| 941 | R | 96.6 | Very high | 91.9 | Very high | 49 Ų | 49 | 28.6 Ų | 28.6 | 19% | 0.185 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 142.8 | -169.7 | -57.6 | -168.2 | -179.1 | -148.7 | 5.6 | 113.1 | A789 A832 A833 D939 L943 T989 I990 F991 V992 | A789-R941 VanDerWaalsContact CB-NH1 3.27Å; A832-R941 VanDerWaalsContact O-CA 3.26Å; A832-R941 WeakPolarHBondContact O-CA 3.35Å; A833-R941 HydrophobicContact CB-CG 4Å; D939-R941 VanDerWaalsContact CG-NE 3.31Å; D939-R941 VanDerWaalsContact OD1-CG 3.3Å; D939-R941 WeakPolarHBondContact OD1-CG 3.26Å; D939-R941 IonicContact OD1-CZ 2.69Å; D939-R941 IonicContact OD1-NE 3.41Å; D939-R941 PolarHBondContact OD1-NE 3.05Å; D939-R941 IonicContact OD1-NH2 3.1Å; D939-R941 IonicContact OD2-CZ 2.67Å; D939-R941 IonicContact OD2-NE 2.68Å; D939-R941 PolarHBondContact OD2-NE 2.91Å; D939-R941 IonicContact OD2-NH2 2.73Å; D939-R941 PolarHBondContact OD2-NH2 3.02Å; R941-L943 PolarHBondContact O-N 3.48Å; R941-T989 HydrophobicContact CB-CG2 4.43Å; R941-T989 HydrophobicContact CG-CG2 3.86Å; R941-I990 PolarHBondContact N-O 3.24Å; R941-F991 HydrophobicContact CB-CD1 4.27Å; R941-F991 HydrophobicContact CB-CE1 4.34Å; R941-V992 WeakPolarHBondContact O-CG2 3.35Å; R941-V992 PolarHBondContact O-N 3.29Å |
| 942 | I | 96.8 | Very high | 92 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 116.5 | 171.1 | -59.2 | -179 | 0 | 0 | 0 | 108.5 | A832 G944 L945 V992 I995 L1003 L1004 | A832-I942 PolarHBondContact O-N 3.06Å; I942-G944 PolarHBondContact O-N 3.23Å; I942-L945 HydrophobicContact CB-CB 4.09Å; I942-L945 HydrophobicContact CB-CD2 3.99Å; I942-L945 HydrophobicContact CD1-CD2 3.97Å; I942-L945 HydrophobicContact CG2-CB 3.77Å; I942-L945 HydrophobicContact CG2-CD2 3.83Å; I942-L945 HydrophobicContact CG2-CG 4.45Å; I942-L945 PolarHBondContact O-N 3.27Å; I942-V992 WeakPolarHBondContact CA-O 3.46Å; I942-V992 HydrophobicContact CG1-CG2 4.44Å; I942-I995 HydrophobicContact CD1-CD1 4.43Å; I942-I995 HydrophobicContact CD1-CG1 4.45Å; I942-I995 HydrophobicContact CG1-CD1 4.28Å; I942-I995 HydrophobicContact CG1-CG1 4.35Å; I942-L1003 HydrophobicContact CD1-CD2 4.01Å; I942-L1003 HydrophobicContact CD1-CG 4.14Å; I942-L1004 HydrophobicContact CG2-CD1 4.19Å |
| 943 | L | 95.8 | Very high | 92 | Very high | 23 Ų | 23 | 25.7 Ų | 25.7 | 12% | 0.12 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 126.1 | -175.4 | -178.4 | 69.2 | 0 | 0 | 0 | 112 | R941 L945 F991 V992 Q1015 C1019 Q1020 L1023 | R941-L943 PolarHBondContact O-N 3.48Å; L943-L945 PolarHBondContact O-N 3.42Å; L943-L945 VanDerWaalsContact O-N 3.13Å; L943-F991 HydrophobicContact CD1-CB 4.46Å; L943-F991 HydrophobicContact CD1-CD1 4.12Å; L943-V992 WeakPolarHBondContact CB-O 3.39Å; L943-V992 PolarHBondContact N-O 3.16Å; L943-Q1015 PolarHBondContact O-NE2 3.25Å; L943-C1019 HydrophobicContact CD1-CB 4.12Å; L943-C1019 HydrophobicContact CG-CB 4.41Å; L943-Q1020 HydrophobicContact CD1-CB 4.44Å; L943-Q1020 HydrophobicContact CD2-CB 4.17Å; L943-L1023 HydrophobicContact CD1-CD1 3.84Å |
| 944 | G | 93.9 | Very high | 92 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | -9.3 | 176 | 0 | 0 | 0 | 0 | 0 | 116.5 | I942 Q946 D1016 C1019 | I942-G944 PolarHBondContact O-N 3.23Å; G944-Q946 PolarHBondContact O-N 3.3Å; G944-Q946 PolarHBondContact O-NE2 2.91Å; G944-D1016 PolarHBondContact O-N 2.99Å; G944-C1019 VanDerWaalsContact CA-CB 3.45Å; G944-C1019 PolarHBondContact N-SG 2.9Å; G944-C1019 VanDerWaalsContact N-SG 3.44Å |
| 945 | L | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 108.5 | -174.8 | -177.8 | 62.5 | 0 | 0 | 0 | 111.4 | A832 I942 L943 W954 L1004 V1007 I1008 | A832-L945 HydrophobicContact CB-CB 4.03Å; A832-L945 HydrophobicContact CB-CD2 3.94Å; A832-L945 HydrophobicContact CB-CG 3.96Å; A832-L945 VanDerWaalsContact CB-O 3.26Å; A832-L945 WeakPolarHBondContact CB-O 3.4Å; I942-L945 HydrophobicContact CB-CB 4.09Å; I942-L945 HydrophobicContact CB-CD2 3.99Å; I942-L945 HydrophobicContact CD1-CD2 3.97Å; I942-L945 HydrophobicContact CG2-CB 3.77Å; I942-L945 HydrophobicContact CG2-CD2 3.83Å; I942-L945 HydrophobicContact CG2-CG 4.45Å; I942-L945 PolarHBondContact O-N 3.27Å; L943-L945 PolarHBondContact O-N 3.42Å; L943-L945 VanDerWaalsContact O-N 3.13Å; L945-W954 HydrophobicContact CD1-CH2 4.41Å; L945-W954 HydrophobicContact CG-CH2 4.32Å; L945-W954 HydrophobicContact CG-CZ2 4.06Å; L945-L1004 HydrophobicContact CD1-CD1 3.9Å; L945-L1004 HydrophobicContact CD2-CD1 3.89Å; L945-L1004 HydrophobicContact CG-CD1 4.33Å; L945-V1007 HydrophobicContact CD1-CG1 4.46Å; L945-V1007 HydrophobicContact CD2-CG1 4.22Å; L945-I1008 HydrophobicContact CD1-CG1 4.44Å |
| 946 | Q | 92.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 153.9 | -178.1 | 75.6 | -158.6 | -93.2 | 0 | 0 | 111.3 | F790 G944 R952 S1013 H1014 D1016 | F790-Q946 HydrophobicContact CE1-CB 3.89Å; F790-Q946 HydrophobicContact CZ-CB 4.15Å; G944-Q946 PolarHBondContact O-N 3.3Å; G944-Q946 PolarHBondContact O-NE2 2.91Å; Q946-R952 HydrophobicContact CB-CG 4.49Å; Q946-S1013 CarbonylContact O-C 3.49Å; Q946-S1013 VanDerWaalsContact O-CA 3.26Å; Q946-S1013 WeakPolarHBondContact O-CA 3.16Å; Q946-H1014 PolarHBondContact N-O 3.01Å; Q946-H1014 PolarHBondContact O-N 3.25Å; Q946-D1016 VanDerWaalsContact NE2-CB 3.29Å |
| 947 | P | 89.9 | Confident | 90.6 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 4% | 0.039 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 163.9 | 174.2 | 32.1 | -30.6 | 0 | 0 | 0 | 110.5 | S949 R952 I953 W954 R1012 | P947-S949 PolarHBondContact O-N 2.84Å; P947-R952 VanDerWaalsContact CG-C 3.48Å; P947-I953 WeakPolarHBondContact CG-O 3.41Å; P947-W954 HydrophobicContact CB-CD2 3.89Å; P947-W954 HydrophobicContact CB-CE3 3.98Å; P947-W954 HydrophobicContact CB-CG 4.34Å; P947-W954 HydrophobicContact CB-CZ3 4.36Å; P947-W954 HydrophobicContact CG-CD2 4.06Å; P947-W954 HydrophobicContact CG-CG 4.1Å; P947-R1012 WeakPolarHBondContact CA-O 3.42Å |
| 948 | E | 83.4 | Confident | 90.3 | Very high | 74 Ų | 74 | 26.9 Ų | 26.9 | 35% | 0.346 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -73.3 | 56.4 | 176.6 | -67.6 | -177.3 | 162.3 | 0 | 0 | 113.4 | M751 R1012 | M751-E948 HydrophobicContact CE-CB 3.95Å; M751-E948 HydrophobicContact CE-CG 4.39Å; E948-R1012 HydrophobicContact CB-CB 4.23Å; E948-R1012 HydrophobicContact CG-CB 4.06Å; E948-R1012 PolarHBondContact N-O 2.82Å; E948-R1012 VanDerWaalsContact N-O 3.1Å; E948-R1012 WeakPolarHBondContact OE2-CB 3.09Å; E948-R1012 WeakPolarHBondContact OE2-CD 3.49Å |
| 949 | S | 85.3 | Confident | 90 | Very high | 31 Ų | 31 | 30.2 Ų | 30.2 | 22% | 0.217 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -146.7 | 147.5 | 176.7 | 68 | 0 | 0 | 0 | 0 | 112.3 | P947 D951 R952 | P947-S949 PolarHBondContact O-N 2.84Å; S949-D951 VanDerWaalsContact C-N 3.34Å; S949-R952 WeakPolarHBondContact O-CG 3.26Å; S949-R952 PolarHBondContact O-N 3.12Å; S949-R952 VanDerWaalsContact O-N 3.17Å; S949-R952 PolarHBondContact OG-N 3.23Å |
| 950 | L | 87.6 | Confident | 89.6 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -32 | 177.5 | -61.9 | -167.1 | 0 | 0 | 0 | 112.9 | W744 D748 M751 L762 Q786 L794 R952 | W744-L950 HydrophobicContact CD2-CD1 4.09Å; W744-L950 HydrophobicContact CG-CD1 4.32Å; W744-L950 HydrophobicContact CZ2-CB 3.96Å; W744-L950 HydrophobicContact CZ2-CD1 3.96Å; D748-L950 HydrophobicContact CB-CD1 3.91Å; D748-L950 HydrophobicContact CB-CG 4.48Å; M751-L950 HydrophobicContact CG-CD2 3.95Å; L762-L950 HydrophobicContact CD2-CD2 3.63Å; Q786-L950 PolarHBondContact NE2-O 3.21Å; Q786-L950 VanDerWaalsContact NE2-O 3.1Å; L794-L950 HydrophobicContact CD1-CD2 4.46Å; L950-R952 PolarHBondContact O-N 3.2Å |
| 951 | D | 84.9 | Confident | 89.1 | Confident | 71 Ų | 71 | 33.7 Ų | 33.7 | 38% | 0.38 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -19.3 | 174 | -56.4 | -49.6 | 0 | 0 | 0 | 112.1 | Q786 S949 I953 | Q786-D951 PolarHBondContact NE2-O 3.36Å; S949-D951 VanDerWaalsContact C-N 3.34Å; D951-I953 HydrophobicContact CB-CD1 4.01Å; D951-I953 HydrophobicContact CB-CG1 4Å; D951-I953 PolarHBondContact O-N 2.89Å |
| 952 | R | 89.6 | Confident | 88.8 | Confident | 15 Ų | 15 | 31.3 Ų | 31.3 | 6% | 0.057 | 16% | 0.16 | C | C | . | . | trans | 57.5 | 27.8 | -177.6 | -61.1 | 177.3 | 169.3 | 152 | -23.3 | 114 | Q786 F790 D792 Q946 P947 S949 L950 | Q786-R952 VanDerWaalsContact OE1-NH1 3.16Å; F790-R952 HydrophobicContact CE2-CB 4.25Å; F790-R952 VanDerWaalsContact CE2-CD 3.48Å; F790-R952 HydrophobicContact CE2-CG 4.49Å; D792-R952 PolarHBondContact O-NH1 3.12Å; D792-R952 IonicContact OD1-CZ 2.73Å; D792-R952 IonicContact OD1-NH1 2.71Å; D792-R952 PolarHBondContact OD1-NH1 2.85Å; D792-R952 IonicContact OD1-NH2 2.72Å; D792-R952 PolarHBondContact OD1-NH2 2.98Å; D792-R952 IonicContact OD2-NH2 2.63Å; D792-R952 PolarHBondContact OD2-NH2 2.77Å; Q946-R952 HydrophobicContact CB-CG 4.49Å; P947-R952 VanDerWaalsContact CG-C 3.48Å; S949-R952 WeakPolarHBondContact O-CG 3.26Å; S949-R952 PolarHBondContact O-N 3.12Å; S949-R952 VanDerWaalsContact O-N 3.17Å; S949-R952 PolarHBondContact OG-N 3.23Å; L950-R952 PolarHBondContact O-N 3.2Å | ||
| 953 | I | 87.8 | Confident | 88.5 | Confident | 125 Ų | 125 | 35.3 Ų | 35.3 | 64% | 0.641 | 17% | 0.174 | S | C | * | . | P | Polyproline II helix | trans | -87.9 | 128.7 | 177.4 | -58.5 | 174.7 | 0 | 0 | 0 | 109.1 | P947 D951 | P947-I953 WeakPolarHBondContact CG-O 3.41Å; D951-I953 HydrophobicContact CB-CD1 4.01Å; D951-I953 HydrophobicContact CB-CG1 4Å; D951-I953 PolarHBondContact O-N 2.89Å |
| 954 | W | 89.4 | Confident | 88 | Confident | 31 Ų | 31 | 40.8 Ų | 40.8 | 12% | 0.117 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -84.1 | 143.1 | 174.9 | -71.6 | 93.1 | 0 | 0 | 0 | 111.4 | S830 P831 A832 L945 P947 A958 V1007 F1011 S1013 | S830-W954 VanDerWaalsContact CB-CD1 3.46Å; P831-W954 HydrophobicContact CB-CD2 4.17Å; P831-W954 HydrophobicContact CB-CE3 4.01Å; P831-W954 HydrophobicContact CB-CH2 3.95Å; P831-W954 HydrophobicContact CB-CZ2 4.14Å; P831-W954 HydrophobicContact CB-CZ3 3.9Å; P831-W954 HydrophobicContact CG-CD2 3.87Å; P831-W954 HydrophobicContact CG-CE3 3.6Å; P831-W954 HydrophobicContact CG-CG 4.4Å; P831-W954 HydrophobicContact CG-CH2 4.44Å; P831-W954 HydrophobicContact CG-CZ3 3.91Å; A832-W954 HydrophobicContact CB-CZ2 4.05Å; L945-W954 HydrophobicContact CD1-CH2 4.41Å; L945-W954 HydrophobicContact CG-CH2 4.32Å; L945-W954 HydrophobicContact CG-CZ2 4.06Å; P947-W954 HydrophobicContact CB-CD2 3.89Å; P947-W954 HydrophobicContact CB-CE3 3.98Å; P947-W954 HydrophobicContact CB-CG 4.34Å; P947-W954 HydrophobicContact CB-CZ3 4.36Å; P947-W954 HydrophobicContact CG-CD2 4.06Å; P947-W954 HydrophobicContact CG-CG 4.1Å; W954-A958 HydrophobicContact CE3-CB 4.41Å; W954-V1007 HydrophobicContact CH2-CG1 3.73Å; W954-V1007 HydrophobicContact CZ3-CG1 4.06Å; W954-F1011 HydrophobicContact CZ3-CB 4.13Å; W954-S1013 VanDerWaalsContact CH2-CB 3.48Å |
| 955 | P | 85.9 | Confident | 87.6 | Confident | 33 Ų | 33 | 42.7 Ų | 42.7 | 21% | 0.214 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -60.3 | 149.9 | 172 | -25.7 | 36.1 | 0 | 0 | 0 | 113.6 | R534 P537 D957 A958 R959 | R534-P955 WeakPolarHBondContact O-CG 3.37Å; P537-P955 HydrophobicContact CG-CB 4.15Å; P537-P955 HydrophobicContact CG-CG 4.14Å; P955-D957 VanDerWaalsContact C-N 3.33Å; P955-D957 WeakPolarHBondContact CB-OD1 3.26Å; P955-D957 PolarHBondContact O-N 2.85Å; P955-A958 HydrophobicContact CB-CB 4.32Å; P955-A958 WeakPolarHBondContact O-CB 3.46Å; P955-A958 PolarHBondContact O-N 2.87Å; P955-A958 VanDerWaalsContact O-N 3.17Å; P955-R959 PolarHBondContact O-N 3.32Å |
| 956 | D | 83.4 | Confident | 87.2 | Confident | 71 Ų | 71 | 43.1 Ų | 43.1 | 38% | 0.38 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.9 | -37.9 | 177.5 | -79.5 | -67.3 | 0 | 0 | 0 | 112.3 | A958 R959 N960 | D956-A958 VanDerWaalsContact C-N 3.27Å; D956-A958 PolarHBondContact O-N 2.88Å; D956-R959 PolarHBondContact O-N 3.01Å; D956-R959 IonicContact OD1-CZ 3.93Å; D956-R959 IonicContact OD1-NH1 3.61Å; D956-R959 PolarHBondContact OD1-NH1 3.38Å; D956-R959 IonicContact OD1-NH2 3.29Å; D956-R959 PolarHBondContact OD1-NH2 2.85Å; D956-N960 WeakPolarHBondContact O-CB 3.2Å; D956-N960 PolarHBondContact O-N 3.21Å; D956-N960 PolarHBondContact O-ND2 3.18Å; D956-N960 VanDerWaalsContact O-ND2 3.15Å |
| 957 | D | 82.1 | Confident | 86.9 | Confident | 11 Ų | 11 | 43.9 Ų | 43.9 | 6% | 0.059 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.6 | -33.7 | 176.1 | 82.1 | -29.7 | 0 | 0 | 0 | 111.9 | L536 P537 N538 P955 N960 L961 | L536-D957 HydrophobicContact CD2-CB 4.04Å; P537-D957 WeakPolarHBondContact CD-OD1 3.38Å; P537-D957 WeakPolarHBondContact CD-OD2 3.43Å; P537-D957 VanDerWaalsContact CG-OD1 3.28Å; P537-D957 WeakPolarHBondContact CG-OD1 3.36Å; P537-D957 WeakPolarHBondContact CG-OD2 3.49Å; N538-D957 VanDerWaalsContact CB-OD2 3.26Å; N538-D957 WeakPolarHBondContact CB-OD2 3.47Å; N538-D957 PolarHBondContact N-OD2 2.75Å; N538-D957 PolarHBondContact ND2-OD2 3.03Å; P955-D957 VanDerWaalsContact C-N 3.33Å; P955-D957 WeakPolarHBondContact CB-OD1 3.26Å; P955-D957 PolarHBondContact O-N 2.85Å; D957-N960 PolarHBondContact O-N 3.21Å; D957-L961 WeakPolarHBondContact O-CA 3.19Å; D957-L961 WeakPolarHBondContact O-CB 3.43Å; D957-L961 PolarHBondContact O-N 3.34Å |
| 958 | A | 87.9 | Confident | 86.2 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.1 | -46.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P831 W954 P955 D956 V962 F1011 | P831-A958 HydrophobicContact CG-CB 3.96Å; W954-A958 HydrophobicContact CE3-CB 4.41Å; P955-A958 HydrophobicContact CB-CB 4.32Å; P955-A958 WeakPolarHBondContact O-CB 3.46Å; P955-A958 PolarHBondContact O-N 2.87Å; P955-A958 VanDerWaalsContact O-N 3.17Å; D956-A958 VanDerWaalsContact C-N 3.27Å; D956-A958 PolarHBondContact O-N 2.88Å; A958-V962 WeakPolarHBondContact O-CB 3.37Å; A958-V962 WeakPolarHBondContact O-CG2 3.32Å; A958-V962 PolarHBondContact O-N 3.31Å; A958-F1011 HydrophobicContact CB-CD1 3.54Å; A958-F1011 HydrophobicContact CB-CE1 3.41Å; A958-F1011 VanDerWaalsContact CB-CE1 3.41Å; A958-F1011 HydrophobicContact CB-CE2 4.46Å; A958-F1011 HydrophobicContact CB-CG 4.14Å; A958-F1011 HydrophobicContact CB-CZ 3.89Å |
| 959 | R | 90.1 | Very high | 84.8 | Confident | 69 Ų | 69 | 53.5 Ų | 53.5 | 26% | 0.26 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.8 | -47.7 | 170.6 | -176.5 | -164.9 | 66.3 | -123.1 | -14.8 | 110.8 | C828 Y829 P955 D956 L961 V962 R963 | C828-R959 VanDerWaalsContact O-CD 3.32Å; C828-R959 WeakPolarHBondContact O-CD 3.44Å; C828-R959 VanDerWaalsContact O-CG 3.29Å; C828-R959 WeakPolarHBondContact O-CG 3.32Å; Y829-R959 WeakPolarHBondContact O-CD 3.37Å; Y829-R959 WeakPolarHBondContact O-CG 3.36Å; P955-R959 PolarHBondContact O-N 3.32Å; D956-R959 PolarHBondContact O-N 3.01Å; D956-R959 IonicContact OD1-CZ 3.93Å; D956-R959 IonicContact OD1-NH1 3.61Å; D956-R959 PolarHBondContact OD1-NH1 3.38Å; D956-R959 IonicContact OD1-NH2 3.29Å; D956-R959 PolarHBondContact OD1-NH2 2.85Å; R959-L961 PolarHBondContact O-N 2.89Å; R959-V962 PolarHBondContact O-N 2.92Å; R959-R963 WeakPolarHBondContact O-CB 3.47Å; R959-R963 PolarHBondContact O-N 3.25Å |
| 960 | N | 86.5 | Confident | 82.9 | Confident | 58 Ų | 58 | 54 Ų | 54 | 31% | 0.31 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.9 | -36.8 | -176.1 | -69.3 | -18.3 | 0 | 0 | 0 | 112.4 | D956 D957 K964 | D956-N960 WeakPolarHBondContact O-CB 3.2Å; D956-N960 PolarHBondContact O-N 3.21Å; D956-N960 PolarHBondContact O-ND2 3.18Å; D956-N960 VanDerWaalsContact O-ND2 3.15Å; D957-N960 PolarHBondContact O-N 3.21Å; N960-K964 WeakPolarHBondContact O-CB 3.35Å; N960-K964 PolarHBondContact O-N 3.06Å |
| 961 | L | 86.9 | Confident | 80.8 | Confident | 31 Ų | 31 | 62.3 Ų | 62.3 | 16% | 0.162 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.1 | -49.1 | 175.7 | -167.8 | 158.2 | 0 | 0 | 0 | 109.9 | D957 R959 R963 K964 D965 F1006 F1011 | D957-L961 WeakPolarHBondContact O-CA 3.19Å; D957-L961 WeakPolarHBondContact O-CB 3.43Å; D957-L961 PolarHBondContact O-N 3.34Å; R959-L961 PolarHBondContact O-N 2.89Å; L961-R963 VanDerWaalsContact C-N 3.26Å; L961-R963 PolarHBondContact O-N 2.9Å; L961-K964 PolarHBondContact O-N 3.32Å; L961-K964 VanDerWaalsContact O-N 3.09Å; L961-D965 HydrophobicContact CD2-CB 3.85Å; L961-D965 HydrophobicContact CG-CB 4.23Å; L961-D965 WeakPolarHBondContact O-CA 3.41Å; L961-D965 VanDerWaalsContact O-CB 3.27Å; L961-D965 WeakPolarHBondContact O-CB 3.22Å; L961-D965 PolarHBondContact O-N 2.91Å; L961-F1006 HydrophobicContact CD2-CE1 3.72Å; L961-F1006 HydrophobicContact CD2-CZ 3.49Å; L961-F1006 VanDerWaalsContact CD2-CZ 3.49Å; L961-F1011 HydrophobicContact CB-CZ 4.13Å; L961-F1011 HydrophobicContact CD1-CZ 4.39Å; L961-F1011 HydrophobicContact CD2-CZ 3.92Å; L961-F1011 HydrophobicContact CG-CZ 4.36Å |
| 962 | V | 90.6 | Very high | 79 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.2 | -42.6 | 173.5 | 168.5 | 0 | 0 | 0 | 0 | 111.5 | P831 A958 R959 K964 F966 F967 L1003 F1006 V1007 F1011 | P831-V962 HydrophobicContact CB-CG2 4.03Å; P831-V962 HydrophobicContact CG-CG2 3.97Å; A958-V962 WeakPolarHBondContact O-CB 3.37Å; A958-V962 WeakPolarHBondContact O-CG2 3.32Å; A958-V962 PolarHBondContact O-N 3.31Å; R959-V962 PolarHBondContact O-N 2.92Å; V962-K964 PolarHBondContact O-N 2.81Å; V962-F966 HydrophobicContact CG1-CB 4.43Å; V962-F966 WeakPolarHBondContact O-CB 3.3Å; V962-F966 PolarHBondContact O-N 3.45Å; V962-F967 HydrophobicContact CG1-CD2 3.95Å; V962-F967 HydrophobicContact CG1-CE2 3.49Å; V962-F967 VanDerWaalsContact CG1-CE2 3.49Å; V962-F967 HydrophobicContact CG1-CZ 4.25Å; V962-F967 PolarHBondContact O-N 2.92Å; V962-F967 VanDerWaalsContact O-N 3.11Å; V962-L1003 HydrophobicContact CG1-CD1 3.82Å; V962-L1003 HydrophobicContact CG2-CD1 4.43Å; V962-F1006 HydrophobicContact CG2-CD1 4.23Å; V962-F1006 HydrophobicContact CG2-CE1 3.91Å; V962-V1007 HydrophobicContact CG2-CG2 3.92Å; V962-F1011 HydrophobicContact CG2-CE2 3.92Å; V962-F1011 HydrophobicContact CG2-CZ 4.41Å |
| 963 | R | 89.4 | Confident | 77.3 | Confident | 89 Ų | 89 | 71.4 Ų | 71.4 | 34% | 0.336 | 33% | 0.33 | S | S | . | . | I | π-helix | trans | -60.5 | -38.3 | 175.6 | -172.1 | -179.9 | 71.7 | 153 | 5.9 | 113.6 | C828 R959 L961 R968 | C828-R963 HydrophobicContact CB-CB 4.46Å; R959-R963 WeakPolarHBondContact O-CB 3.47Å; R959-R963 PolarHBondContact O-N 3.25Å; L961-R963 VanDerWaalsContact C-N 3.26Å; L961-R963 PolarHBondContact O-N 2.9Å; R963-R968 WeakPolarHBondContact O-CB 3.42Å; R963-R968 WeakPolarHBondContact O-CD 3.35Å; R963-R968 WeakPolarHBondContact O-CG 3.46Å; R963-R968 PolarHBondContact O-N 2.88Å |
| 964 | K | 85 | Confident | 75.9 | Confident | 139 Ų | 139 | 74.1 Ų | 74.1 | 60% | 0.604 | 33% | 0.332 | S | S | * | . | I | π-helix | trans | -88.5 | -44.7 | -177.9 | -172.4 | -172.4 | 174 | -171.1 | 0 | 112.9 | N960 L961 V962 R968 R969 | N960-K964 WeakPolarHBondContact O-CB 3.35Å; N960-K964 PolarHBondContact O-N 3.06Å; L961-K964 PolarHBondContact O-N 3.32Å; L961-K964 VanDerWaalsContact O-N 3.09Å; V962-K964 PolarHBondContact O-N 2.81Å; K964-R968 CarbonylContact O-C 3.51Å; K964-R968 WeakPolarHBondContact O-CB 3.1Å; K964-R969 PolarHBondContact O-N 2.82Å |
| 965 | D | 85.3 | Confident | 74.6 | Confident | 41 Ų | 41 | 77.6 Ų | 77.6 | 22% | 0.219 | 35% | 0.353 | C | S | . | . | I | π-helix | trans | -108 | -4.2 | -163.1 | -83.5 | 61.4 | 0 | 0 | 0 | 114 | L961 R969 F1006 | L961-D965 HydrophobicContact CD2-CB 3.85Å; L961-D965 HydrophobicContact CG-CB 4.23Å; L961-D965 WeakPolarHBondContact O-CA 3.41Å; L961-D965 VanDerWaalsContact O-CB 3.27Å; L961-D965 WeakPolarHBondContact O-CB 3.22Å; L961-D965 PolarHBondContact O-N 2.91Å; D965-R969 WeakPolarHBondContact O-CD 3.47Å; D965-R969 PolarHBondContact O-NE 2.85Å; D965-R969 PolarHBondContact O-NH1 2.86Å; D965-R969 IonicContact OD2-CZ 2.9Å; D965-R969 IonicContact OD2-NE 3.59Å; D965-R969 PolarHBondContact OD2-NE 3.46Å; D965-R969 VanDerWaalsContact OD2-NE 3.17Å; D965-R969 IonicContact OD2-NH2 2.72Å; D965-R969 PolarHBondContact OD2-NH2 2.96Å; D965-F1006 HydrophobicContact CB-CE2 4.49Å; D965-F1006 HydrophobicContact CB-CZ 3.93Å; D965-F1006 WeakPolarHBondContact O-CE2 3.18Å |
| 966 | F | 88.1 | Confident | 74.3 | Confident | 8 Ų | 8 | 76.8 Ų | 76.8 | 4% | 0.035 | 35% | 0.345 | C | S | . | . | I | π-helix | trans | -112.3 | -62.1 | 160.4 | -168.1 | -90.2 | 0 | 0 | 0 | 110.3 | V962 R976 F978 D997 N1001 L1003 F1006 | V962-F966 HydrophobicContact CG1-CB 4.43Å; V962-F966 WeakPolarHBondContact O-CB 3.3Å; V962-F966 PolarHBondContact O-N 3.45Å; F966-R976 PolarHBondContact O-NH1 3Å; F966-F978 HydrophobicContact CD1-CE1 4.35Å; F966-F978 HydrophobicContact CE1-CD1 4.14Å; F966-F978 AromaticContact CE1-CE1 3.99Å; F966-F978 HydrophobicContact CE1-CE1 3.99Å; F966-D997 HydrophobicContact CZ-CB 4.5Å; F966-N1001 HydrophobicContact CE2-CB 3.98Å; F966-N1001 HydrophobicContact CZ-CB 4.42Å; F966-N1001 WeakPolarHBondContact CZ-O 3.46Å; F966-L1003 HydrophobicContact CB-CD1 4.1Å; F966-L1003 HydrophobicContact CD1-CB 4.35Å; F966-L1003 HydrophobicContact CD1-CD1 3.85Å; F966-L1003 HydrophobicContact CD1-CG 4.46Å; F966-L1003 HydrophobicContact CD2-CB 4.45Å; F966-L1003 HydrophobicContact CD2-CD1 3.97Å; F966-L1003 HydrophobicContact CE1-CB 3.88Å; F966-L1003 HydrophobicContact CE1-CD1 4.28Å; F966-L1003 HydrophobicContact CE1-CG 4.44Å; F966-L1003 HydrophobicContact CE2-CB 3.99Å; F966-L1003 HydrophobicContact CE2-CD1 4.38Å; F966-L1003 HydrophobicContact CG-CD1 3.69Å; F966-L1003 HydrophobicContact CZ-CB 3.68Å; F966-F1006 HydrophobicContact CB-CD1 4.28Å; F966-F1006 HydrophobicContact CB-CE1 4.16Å; F966-F1006 HydrophobicContact CB-CE2 4.48Å; F966-F1006 HydrophobicContact CB-CZ 4.26Å; F966-F1006 HydrophobicContact CD2-CB 3.94Å; F966-F1006 HydrophobicContact CD2-CD1 4.33Å; F966-F1006 AromaticContact CD2-CD2 3.98Å; F966-F1006 HydrophobicContact CD2-CD2 3.98Å; F966-F1006 AromaticContact CD2-CG 3.84Å; F966-F1006 HydrophobicContact CD2-CG 3.84Å; F966-F1006 HydrophobicContact CE2-CB 4.3Å |
| 967 | F | 86.1 | Confident | 74.5 | Confident | 18 Ų | 18 | 76.9 Ų | 76.9 | 8% | 0.079 | 34% | 0.344 | C | S | . | . | I | π-helix | trans | -69.9 | -40.2 | -172.6 | -62.4 | -55.5 | 0 | 0 | 0 | 114 | V825 C828 L834 V962 R976 F978 L1003 | V825-F967 HydrophobicContact CB-CD1 4.42Å; V825-F967 HydrophobicContact CG1-CD2 4.48Å; V825-F967 HydrophobicContact CG2-CD1 3.88Å; V825-F967 HydrophobicContact CG2-CE1 3.74Å; V825-F967 HydrophobicContact CG2-CZ 4.29Å; C828-F967 HydrophobicContact CB-CD2 4.13Å; C828-F967 HydrophobicContact CB-CE2 4.03Å; L834-F967 HydrophobicContact CD1-CE1 4.22Å; L834-F967 HydrophobicContact CD1-CE2 4.34Å; L834-F967 HydrophobicContact CD1-CZ 3.6Å; L834-F967 HydrophobicContact CD2-CE2 3.62Å; L834-F967 HydrophobicContact CD2-CZ 3.71Å; L834-F967 HydrophobicContact CG-CZ 4.34Å; V962-F967 HydrophobicContact CG1-CD2 3.95Å; V962-F967 HydrophobicContact CG1-CE2 3.49Å; V962-F967 VanDerWaalsContact CG1-CE2 3.49Å; V962-F967 HydrophobicContact CG1-CZ 4.25Å; V962-F967 PolarHBondContact O-N 2.92Å; V962-F967 VanDerWaalsContact O-N 3.11Å; F967-R976 PolarHBondContact O-NH1 3.2Å; F967-F978 HydrophobicContact CB-CZ 4.4Å; F967-F978 HydrophobicContact CD1-CD1 4.16Å; F967-F978 AromaticContact CD1-CE1 3.67Å; F967-F978 HydrophobicContact CD1-CE1 3.67Å; F967-F978 HydrophobicContact CD1-CE2 4.16Å; F967-F978 AromaticContact CD1-CZ 3.68Å; F967-F978 HydrophobicContact CD1-CZ 3.68Å; F967-F978 HydrophobicContact CE1-CD1 4.28Å; F967-F978 HydrophobicContact CE1-CE1 4.21Å; F967-L1003 HydrophobicContact CE1-CD2 4.23Å; F967-L1003 HydrophobicContact CZ-CD2 3.64Å |
| 968 | R | 75.3 | Confident | 75 | Confident | 157 Ų | 157 | 76.7 Ų | 76.7 | 59% | 0.592 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 3.8 | -176.4 | -68.2 | 174.3 | 176.7 | -168.3 | -0.9 | 115.9 | R963 K964 T970 | R963-R968 WeakPolarHBondContact O-CB 3.42Å; R963-R968 WeakPolarHBondContact O-CD 3.35Å; R963-R968 WeakPolarHBondContact O-CG 3.46Å; R963-R968 PolarHBondContact O-N 2.88Å; K964-R968 CarbonylContact O-C 3.51Å; K964-R968 WeakPolarHBondContact O-CB 3.1Å; R968-T970 PolarHBondContact O-N 3.05Å |
| 969 | R | 54.5 | Low | 75.4 | Confident | 125 Ų | 125 | 79.4 Ų | 79.4 | 47% | 0.472 | 36% | 0.355 | S | S | . | . | trans | -67.9 | -26.2 | -154.9 | -151.9 | -176.3 | -133.1 | 168 | 2.8 | 117.1 | K964 D965 | K964-R969 PolarHBondContact O-N 2.82Å; D965-R969 WeakPolarHBondContact O-CD 3.47Å; D965-R969 PolarHBondContact O-NE 2.85Å; D965-R969 PolarHBondContact O-NH1 2.86Å; D965-R969 IonicContact OD2-CZ 2.9Å; D965-R969 IonicContact OD2-NE 3.59Å; D965-R969 PolarHBondContact OD2-NE 3.46Å; D965-R969 VanDerWaalsContact OD2-NE 3.17Å; D965-R969 IonicContact OD2-NH2 2.72Å; D965-R969 PolarHBondContact OD2-NH2 2.96Å | ||
| 970 | T | 44.1 | Very low | 75.8 | Confident | 41 Ų | 41 | 76.1 Ų | 76.1 | 25% | 0.252 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -125.7 | 125.1 | -167.7 | 43.5 | 0 | 0 | 0 | 0 | 116 | R968 N972 | R968-T970 PolarHBondContact O-N 3.05Å; T970-N972 PolarHBondContact O-N 3.32Å |
| 971 | H | 43.2 | Very low | 76.3 | Confident | 174 Ų | 174 | 76.9 Ų | 76.9 | 81% | 0.806 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 38.4 | 67.1 | 155.3 | -62.7 | -76.8 | 0 | 0 | 0 | 119.4 | K973 | H971-K973 PolarHBondContact O-N 3.49Š|
| 972 | N | 47.6 | Very low | 76.8 | Confident | 167 Ų | 167 | 75.7 Ų | 75.7 | 89% | 0.893 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 8.8 | 160.9 | -78.3 | -9 | 0 | 0 | 0 | 118 | T970 R974 | T970-N972 PolarHBondContact O-N 3.32Å; N972-R974 VanDerWaalsContact C-N 3.3Å; N972-R974 PolarHBondContact O-N 2.91Å |
| 973 | K | 54.7 | Low | 77 | Confident | 111 Ų | 111 | 78.8 Ų | 78.8 | 48% | 0.483 | 36% | 0.357 | S | S | . | . | trans | -66.6 | 87.4 | 175.8 | -71.5 | 179.2 | -176.6 | 172.8 | 0 | 108.4 | H971 N975 R976 E999 | H971-K973 PolarHBondContact O-N 3.49Å; K973-N975 PolarHBondContact O-N 3.11Å; K973-R976 HydrophobicContact CB-CG 3.86Å; K973-R976 PolarHBondContact O-N 3.06Å; K973-E999 IonicContact NZ-OE1 3.62Å; K973-E999 PolarHBondContact NZ-OE1 3.31Å | ||
| 974 | R | 57.8 | Low | 77.2 | Confident | 182 Ų | 182 | 75.4 Ų | 75.4 | 69% | 0.687 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -31.3 | -178.6 | -69.3 | -179.5 | 174.3 | 172.5 | -2.3 | 111.5 | R847 N972 | R847-R974 VanDerWaalsContact CZ-O 3.29Å; R847-R974 PolarHBondContact NH2-O 2.82Å; N972-R974 VanDerWaalsContact C-N 3.3Å; N972-R974 PolarHBondContact O-N 2.91Å |
| 975 | N | 63 | Low | 77.6 | Confident | 104 Ų | 104 | 69.5 Ų | 69.5 | 56% | 0.556 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | 67.7 | 177.9 | -59.2 | -6.5 | 0 | 0 | 0 | 111.7 | R847 K973 | R847-N975 PolarHBondContact NE-OD1 3.11Å; R847-N975 VanDerWaalsContact NE-OD1 3.1Å; R847-N975 PolarHBondContact NH2-OD1 2.85Å; K973-N975 PolarHBondContact O-N 3.11Å |
| 976 | R | 79.1 | Confident | 77.9 | Confident | 16 Ų | 16 | 68.2 Ų | 68.2 | 6% | 0.06 | 32% | 0.317 | C | S | . | . | trans | -73 | 135.1 | 162 | -62.8 | -173.4 | 81 | -147.7 | 6.7 | 109.1 | L824 F966 F967 K973 F978 D997 E999 | L824-R976 WeakPolarHBondContact CD1-O 3.2Å; F966-R976 PolarHBondContact O-NH1 3Å; F967-R976 PolarHBondContact O-NH1 3.2Å; K973-R976 HydrophobicContact CB-CG 3.86Å; K973-R976 PolarHBondContact O-N 3.06Å; R976-F978 HydrophobicContact CB-CE2 4.05Å; R976-F978 HydrophobicContact CB-CZ 4.1Å; R976-D997 IonicContact CZ-OD2 3.61Å; R976-D997 IonicContact NH1-OD2 3.82Å; R976-D997 IonicContact NH2-OD2 3.77Å; R976-D997 PolarHBondContact NH2-OD2 2.8Å; R976-E999 IonicContact NH2-OE2 2.69Å | ||
| 977 | Q | 86.3 | Confident | 77.9 | Confident | 73 Ų | 73 | 70.2 Ų | 70.2 | 34% | 0.341 | 33% | 0.326 | S | S | . | . | trans | -102 | 161.1 | 169.1 | -71.7 | -173.2 | -11 | 0 | 0 | 110.2 | D998 | Q977-D998 WeakPolarHBondContact CB-OD1 3.06Å; Q977-D998 PolarHBondContact N-OD2 2.9Å | ||
| 978 | F | 94 | Very high | 78 | Confident | 6 Ų | 6 | 72.6 Ų | 72.6 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 149.9 | 176.4 | -59.4 | -87.1 | 0 | 0 | 0 | 108.1 | R822 F823 V825 F966 F967 R976 I995 Y996 D997 | R822-F978 WeakPolarHBondContact CA-O 3.38Å; F823-F978 WeakPolarHBondContact CD1-O 3.31Å; F823-F978 HydrophobicContact CD2-CB 4.05Å; F823-F978 HydrophobicContact CE1-CB 4.46Å; F823-F978 HydrophobicContact CE2-CB 3.65Å; F823-F978 HydrophobicContact CZ-CB 3.89Å; F823-F978 PolarHBondContact N-O 2.92Å; F823-F978 PolarHBondContact O-N 2.84Å; V825-F978 HydrophobicContact CG2-CD2 3.84Å; V825-F978 HydrophobicContact CG2-CE2 4.24Å; V825-F978 HydrophobicContact CG2-CG 4.31Å; F966-F978 HydrophobicContact CD1-CE1 4.35Å; F966-F978 HydrophobicContact CE1-CD1 4.14Å; F966-F978 AromaticContact CE1-CE1 3.99Å; F966-F978 HydrophobicContact CE1-CE1 3.99Å; F967-F978 HydrophobicContact CB-CZ 4.4Å; F967-F978 HydrophobicContact CD1-CD1 4.16Å; F967-F978 AromaticContact CD1-CE1 3.67Å; F967-F978 HydrophobicContact CD1-CE1 3.67Å; F967-F978 HydrophobicContact CD1-CE2 4.16Å; F967-F978 AromaticContact CD1-CZ 3.68Å; F967-F978 HydrophobicContact CD1-CZ 3.68Å; F967-F978 HydrophobicContact CE1-CD1 4.28Å; F967-F978 HydrophobicContact CE1-CE1 4.21Å; R976-F978 HydrophobicContact CB-CE2 4.05Å; R976-F978 HydrophobicContact CB-CZ 4.1Å; F978-I995 HydrophobicContact CB-CG2 4.14Å; F978-Y996 CarbonylContact C-O 3.58Å; F978-Y996 VanDerWaalsContact CA-O 3.27Å; F978-Y996 WeakPolarHBondContact CA-O 3.39Å; F978-D997 HydrophobicContact CD1-CB 3.66Å; F978-D997 HydrophobicContact CE1-CB 3.57Å |
| 979 | H | 96 | Very high | 78.9 | Confident | 59 Ų | 59 | 65.7 Ų | 65.7 | 27% | 0.273 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 149.4 | -179 | 64 | -85.6 | 0 | 0 | 0 | 112.2 | L820 I821 R822 Y996 D997 | L820-H979 HydrophobicContact CD1-CB 4.29Å; I821-H979 WeakPolarHBondContact O-CA 3.5Å; I821-H979 WeakPolarHBondContact O-CB 3.48Å; R822-H979 HydrophobicContact CG-CB 4.4Å; H979-Y996 PolarHBondContact N-O 2.84Å; H979-Y996 PolarHBondContact O-N 2.78Å; H979-D997 PolarHBondContact CE1-O 3.12Å |
| 980 | A | 97.5 | Very high | 81 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 159.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | I821 F823 V992 N994 I995 | I821-A980 HydrophobicContact CG1-CB 4.36Å; I821-A980 VanDerWaalsContact CG1-O 3.29Å; I821-A980 WeakPolarHBondContact CG1-O 3.3Å; I821-A980 PolarHBondContact N-O 2.76Å; I821-A980 PolarHBondContact O-N 2.75Å; I821-A980 VanDerWaalsContact O-N 3.16Å; F823-A980 HydrophobicContact CE1-CB 3.79Å; F823-A980 HydrophobicContact CZ-CB 4.34Å; A980-V992 HydrophobicContact CB-CB 3.97Å; A980-V992 HydrophobicContact CB-CG1 3.68Å; A980-V992 HydrophobicContact CB-CG2 4.19Å; A980-N994 VanDerWaalsContact CB-O 3.27Å; A980-N994 WeakPolarHBondContact CB-O 3.47Å; A980-I995 HydrophobicContact CB-CG1 4.4Å |
| 981 | V | 97.3 | Very high | 83.5 | Confident | 73 Ų | 73 | 57.9 Ų | 57.9 | 44% | 0.442 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 114 | 175 | -177.2 | 0 | 0 | 0 | 0 | 109.5 | G819 L820 Q983 | G819-V981 WeakPolarHBondContact O-CA 3.28Å; L820-V981 HydrophobicContact CD1-CG2 4.04Å; V981-Q983 PolarHBondContact O-N 3Å; V981-Q983 PolarHBondContact O-NE2 3.47Å |
| 982 | V | 97.1 | Very high | 86.1 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 4% | 0.036 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 127.9 | 177.3 | -179 | 0 | 0 | 0 | 0 | 109.7 | P816 G819 I821 I990 | P816-V982 HydrophobicContact CB-CG2 4.33Å; P816-V982 HydrophobicContact CG-CG2 4.25Å; G819-V982 PolarHBondContact O-N 3.09Å; I821-V982 HydrophobicContact CD1-CG2 3.87Å; I821-V982 HydrophobicContact CG1-CG2 3.99Å; I821-V982 HydrophobicContact CG2-CG2 3.79Å; V982-I990 HydrophobicContact CB-CG2 4.44Å; V982-I990 HydrophobicContact CG1-CG2 4.04Å; V982-I990 HydrophobicContact CG2-CG2 3.75Å |
| 983 | Q | 95.3 | Very high | 88.3 | Confident | 66 Ų | 66 | 49.5 Ų | 49.5 | 31% | 0.308 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | -45.6 | 172.9 | -58.8 | -56.5 | -83.5 | 0 | 0 | 111 | V981 F991 R993 | V981-Q983 PolarHBondContact O-N 3Å; V981-Q983 PolarHBondContact O-NE2 3.47Å; Q983-F991 PolarHBondContact N-O 3.09Å; Q983-R993 HydrophobicContact CG-CG 3.68Å |
| 984 | S | 93.4 | Very high | 90.3 | Very high | 18 Ų | 18 | 44.7 Ų | 44.7 | 13% | 0.126 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 154.5 | 179.9 | 52.9 | 0 | 0 | 0 | 0 | 109 | F991 Q1020 | S984-F991 PolarHBondContact O-N 2.96Å; S984-Q1020 PolarHBondContact OG-NE2 3.44Å; S984-Q1020 PolarHBondContact OG-OE1 2.65Å |
| 985 | A | 94.3 | Very high | 92.2 | Very high | 15 Ų | 15 | 36.1 Ų | 36.1 | 12% | 0.124 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 124.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | P811 T989 | P811-A985 HydrophobicContact CB-CB 3.94Å; P811-A985 HydrophobicContact CG-CB 3.9Å; P811-A985 WeakPolarHBondContact CG-O 3.44Å; A985-T989 WeakPolarHBondContact CA-O 3.31Å |
| 986 | I | 92.3 | Very high | 93.7 | Very high | 13 Ų | 13 | 35 Ų | 35 | 7% | 0.067 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 128.7 | -174.3 | -50.4 | 173 | 0 | 0 | 0 | 106.4 | M804 R988 T989 F991 L1023 M1026 V1027 | M804-I986 HydrophobicContact CE-CG2 3.95Å; M804-I986 HydrophobicContact SD-CG2 3.95Å; I986-R988 PolarHBondContact O-N 2.95Å; I986-T989 PolarHBondContact N-O 3.46Å; I986-T989 PolarHBondContact O-N 2.88Å; I986-T989 VanDerWaalsContact O-N 3.08Å; I986-F991 HydrophobicContact CB-CE2 4.24Å; I986-F991 HydrophobicContact CD1-CD2 4.49Å; I986-F991 HydrophobicContact CD1-CE2 4.22Å; I986-F991 HydrophobicContact CG1-CD2 4.5Å; I986-F991 HydrophobicContact CG1-CE2 4.34Å; I986-L1023 HydrophobicContact CD1-CB 3.91Å; I986-M1026 HydrophobicContact CG2-CE 4.29Å; I986-V1027 HydrophobicContact CD1-CG2 4.14Å; I986-V1027 HydrophobicContact CG2-CG2 3.65Å |
| 987 | H | 87.6 | Confident | 94.2 | Very high | 50 Ų | 50 | 34.4 Ų | 34.4 | 23% | 0.231 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | -132.6 | -171.1 | -163.8 | 61.8 | 0 | 0 | 0 | 111.7 | M804 E808 V809 P811 P812 T989 | M804-H987 HydrophobicContact CE-CB 3.96Å; E808-H987 WeakPolarHBondContact CA-ND1 3.07Å; E808-H987 WeakPolarHBondContact CB-ND1 3.31Å; E808-H987 WeakPolarHBondContact O-CA 3.37Å; E808-H987 WeakPolarHBondContact O-CB 3.47Å; E808-H987 PolarHBondContact O-N 3.32Å; E808-H987 PolarHBondContact O-ND1 3.37Å; V809-H987 PolarHBondContact O-N 2.88Å; P811-H987 VanDerWaalsContact CA-O 3.23Å; P811-H987 WeakPolarHBondContact CA-O 3.17Å; P811-H987 VanDerWaalsContact CB-O 3.32Å; P811-H987 WeakPolarHBondContact CB-O 3.47Å; P812-H987 WeakPolarHBondContact CD-O 3.4Å; H987-T989 VanDerWaalsContact C-N 3.27Å; H987-T989 PolarHBondContact O-N 3.4Å |
| 988 | R | 88.3 | Confident | 94.2 | Very high | 69 Ų | 69 | 35 Ų | 35 | 26% | 0.26 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 18.5 | 179.8 | -60.3 | 172.2 | -174.8 | -168.3 | 1.8 | 112.8 | Y815 I986 | Y815-R988 WeakPolarHBondContact CE1-O 3.44Å; Y815-R988 PolarHBondContact OH-O 3.26Å; I986-R988 PolarHBondContact O-N 2.95Å |
| 989 | T | 94.5 | Very high | 93.7 | Very high | 11 Ų | 11 | 39.1 Ų | 39.1 | 7% | 0.067 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 130.7 | -171.4 | -48.7 | 0 | 0 | 0 | 0 | 112.2 | D939 R941 A985 I986 H987 F991 | D939-T989 CarbonylContact O-C 3.55Å; D939-T989 WeakPolarHBondContact O-CA 3.26Å; R941-T989 HydrophobicContact CB-CG2 4.43Å; R941-T989 HydrophobicContact CG-CG2 3.86Å; A985-T989 WeakPolarHBondContact CA-O 3.31Å; I986-T989 PolarHBondContact N-O 3.46Å; I986-T989 PolarHBondContact O-N 2.88Å; I986-T989 VanDerWaalsContact O-N 3.08Å; H987-T989 VanDerWaalsContact C-N 3.27Å; H987-T989 PolarHBondContact O-N 3.4Å; T989-F991 HydrophobicContact CG2-CD2 4.28Å; T989-F991 HydrophobicContact CG2-CE1 4.15Å; T989-F991 HydrophobicContact CG2-CE2 3.72Å; T989-F991 HydrophobicContact CG2-CZ 3.65Å |
| 990 | I | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 123.3 | 174.4 | -58.4 | 171.9 | 0 | 0 | 0 | 109 | Y815 P816 I821 M938 D939 L940 R941 V982 V992 | Y815-I990 HydrophobicContact CD1-CD1 3.98Å; Y815-I990 HydrophobicContact CD1-CG1 3.71Å; Y815-I990 HydrophobicContact CE1-CD1 4.33Å; Y815-I990 HydrophobicContact CE1-CG1 4.1Å; P816-I990 HydrophobicContact CG-CD1 3.93Å; I821-I990 HydrophobicContact CD1-CG2 4.36Å; M938-I990 HydrophobicContact CB-CD1 4.06Å; M938-I990 HydrophobicContact CG-CD1 4.49Å; M938-I990 HydrophobicContact SD-CD1 3.64Å; D939-I990 PolarHBondContact O-N 3.16Å; L940-I990 WeakPolarHBondContact CA-O 3.42Å; L940-I990 HydrophobicContact CD1-CB 4.46Å; L940-I990 HydrophobicContact CD1-CG2 4.2Å; R941-I990 PolarHBondContact N-O 3.24Å; V982-I990 HydrophobicContact CB-CG2 4.44Å; V982-I990 HydrophobicContact CG1-CG2 4.04Å; V982-I990 HydrophobicContact CG2-CG2 3.75Å; I990-V992 HydrophobicContact CG2-CG1 4.31Å |
| 991 | F | 97.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 129.9 | 177.8 | -65.6 | -86.4 | 0 | 0 | 0 | 111.4 | R941 L943 Q983 S984 I986 T989 L1023 | R941-F991 HydrophobicContact CB-CD1 4.27Å; R941-F991 HydrophobicContact CB-CE1 4.34Å; L943-F991 HydrophobicContact CD1-CB 4.46Å; L943-F991 HydrophobicContact CD1-CD1 4.12Å; Q983-F991 PolarHBondContact N-O 3.09Å; S984-F991 PolarHBondContact O-N 2.96Å; I986-F991 HydrophobicContact CB-CE2 4.24Å; I986-F991 HydrophobicContact CD1-CD2 4.49Å; I986-F991 HydrophobicContact CD1-CE2 4.22Å; I986-F991 HydrophobicContact CG1-CD2 4.5Å; I986-F991 HydrophobicContact CG1-CE2 4.34Å; T989-F991 HydrophobicContact CG2-CD2 4.28Å; T989-F991 HydrophobicContact CG2-CE1 4.15Å; T989-F991 HydrophobicContact CG2-CE2 3.72Å; T989-F991 HydrophobicContact CG2-CZ 3.65Å; F991-L1023 HydrophobicContact CD1-CD1 4.01Å; F991-L1023 HydrophobicContact CD2-CD1 4.46Å; F991-L1023 HydrophobicContact CE1-CD1 3.67Å; F991-L1023 HydrophobicContact CE2-CD1 4.17Å; F991-L1023 HydrophobicContact CG-CD1 4.39Å; F991-L1023 HydrophobicContact CZ-CD1 3.76Å; F991-L1023 HydrophobicContact CZ-CD2 4.08Å |
| 992 | V | 97.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 152.1 | 178.4 | -59.2 | 0 | 0 | 0 | 0 | 110 | L940 R941 I942 L943 A980 I990 N994 I995 | L940-V992 HydrophobicContact CD1-CG1 4.15Å; L940-V992 HydrophobicContact CD2-CG2 3.99Å; L940-V992 HydrophobicContact CG-CG1 4.39Å; L940-V992 HydrophobicContact CG-CG2 4.44Å; R941-V992 WeakPolarHBondContact O-CG2 3.35Å; R941-V992 PolarHBondContact O-N 3.29Å; I942-V992 WeakPolarHBondContact CA-O 3.46Å; I942-V992 HydrophobicContact CG1-CG2 4.44Å; L943-V992 WeakPolarHBondContact CB-O 3.39Å; L943-V992 PolarHBondContact N-O 3.16Å; A980-V992 HydrophobicContact CB-CB 3.97Å; A980-V992 HydrophobicContact CB-CG1 3.68Å; A980-V992 HydrophobicContact CB-CG2 4.19Å; I990-V992 HydrophobicContact CG2-CG1 4.31Å; V992-N994 VanDerWaalsContact C-N 3.33Å; V992-N994 WeakPolarHBondContact CG2-O 3.43Å; V992-I995 HydrophobicContact CG2-CG1 3.98Å |
| 993 | R | 95.1 | Very high | 92.6 | Very high | 166 Ų | 166 | 41 Ų | 41 | 63% | 0.626 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -71.7 | -31.4 | 171.6 | -65 | -167.8 | -169.4 | -152 | -2.1 | 112.5 | Q983 | Q983-R993 HydrophobicContact CG-CG 3.68Š|
| 994 | N | 96.4 | Very high | 92.5 | Very high | 10 Ų | 10 | 38.9 Ų | 38.9 | 5% | 0.053 | 20% | 0.196 | C | C | . | . | trans | -162.4 | 167.5 | -171.9 | -155.3 | -5 | 0 | 0 | 0 | 111.1 | A980 V992 Y996 D1002 L1004 | A980-N994 VanDerWaalsContact CB-O 3.27Å; A980-N994 WeakPolarHBondContact CB-O 3.47Å; V992-N994 VanDerWaalsContact C-N 3.33Å; V992-N994 WeakPolarHBondContact CG2-O 3.43Å; N994-Y996 HydrophobicContact CB-CE2 4.01Å; N994-Y996 WeakPolarHBondContact ND2-CE1 3.22Å; N994-Y996 PolarHBondContact ND2-OH 3.11Å; N994-Y996 VanDerWaalsContact ND2-OH 3.16Å; N994-D1002 PolarHBondContact ND2-OD1 2.86Å; N994-D1002 PolarHBondContact ND2-OD2 3.1Å; N994-D1002 PolarHBondContact OD1-OD1 3.38Å; N994-D1002 VanDerWaalsContact OD1-OD1 3.13Å; N994-L1004 HydrophobicContact CB-CB 4.46Å; N994-L1004 WeakPolarHBondContact OD1-CB 3.15Å; N994-L1004 PolarHBondContact OD1-N 2.75Å | ||
| 995 | I | 96.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | trans | -129.5 | 134 | 173.8 | -59.6 | 177.1 | 0 | 0 | 0 | 108.2 | F823 L834 L940 I942 F978 A980 V992 L1003 | F823-I995 HydrophobicContact CE2-CG2 4.3Å; F823-I995 HydrophobicContact CZ-CD1 4.19Å; F823-I995 HydrophobicContact CZ-CG1 4.2Å; F823-I995 HydrophobicContact CZ-CG2 3.72Å; L834-I995 HydrophobicContact CD1-CD1 3.46Å; L834-I995 VanDerWaalsContact CD1-CD1 3.46Å; L834-I995 HydrophobicContact CG-CD1 4.49Å; L940-I995 HydrophobicContact CD2-CD1 3.35Å; L940-I995 HydrophobicContact CD2-CG1 4.02Å; I942-I995 HydrophobicContact CD1-CD1 4.43Å; I942-I995 HydrophobicContact CD1-CG1 4.45Å; I942-I995 HydrophobicContact CG1-CD1 4.28Å; I942-I995 HydrophobicContact CG1-CG1 4.35Å; F978-I995 HydrophobicContact CB-CG2 4.14Å; A980-I995 HydrophobicContact CB-CG1 4.4Å; V992-I995 HydrophobicContact CG2-CG1 3.98Å; I995-L1003 HydrophobicContact CB-CB 4.13Å; I995-L1003 HydrophobicContact CB-CD2 4.12Å; I995-L1003 HydrophobicContact CD1-CD2 4.06Å; I995-L1003 WeakPolarHBondContact O-CB 3.29Å; I995-L1003 PolarHBondContact O-N 2.79Å | ||
| 996 | Y | 95.5 | Very high | 92.4 | Very high | 81 Ų | 81 | 40.4 Ų | 40.4 | 32% | 0.318 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 152.4 | 177.4 | -53.1 | -80 | 0 | 0 | 0 | 110.7 | F978 H979 N994 N1001 D1002 | F978-Y996 CarbonylContact C-O 3.58Å; F978-Y996 VanDerWaalsContact CA-O 3.27Å; F978-Y996 WeakPolarHBondContact CA-O 3.39Å; H979-Y996 PolarHBondContact N-O 2.84Å; H979-Y996 PolarHBondContact O-N 2.78Å; N994-Y996 HydrophobicContact CB-CE2 4.01Å; N994-Y996 WeakPolarHBondContact ND2-CE1 3.22Å; N994-Y996 PolarHBondContact ND2-OH 3.11Å; N994-Y996 VanDerWaalsContact ND2-OH 3.16Å; Y996-N1001 VanDerWaalsContact CA-O 3.29Å; Y996-N1001 WeakPolarHBondContact CA-O 3.3Å; Y996-D1002 HydrophobicContact CD1-CB 4.2Å; Y996-D1002 HydrophobicContact CE1-CB 4.04Å |
| 997 | D | 90.2 | Very high | 92.4 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 174.3 | 170 | 72 | 14.3 | 0 | 0 | 0 | 112.6 | F966 R976 F978 H979 E999 G1000 N1001 | F966-D997 HydrophobicContact CZ-CB 4.5Å; R976-D997 IonicContact CZ-OD2 3.61Å; R976-D997 IonicContact NH1-OD2 3.82Å; R976-D997 IonicContact NH2-OD2 3.77Å; R976-D997 PolarHBondContact NH2-OD2 2.8Å; F978-D997 HydrophobicContact CD1-CB 3.66Å; F978-D997 HydrophobicContact CE1-CB 3.57Å; H979-D997 PolarHBondContact CE1-O 3.12Å; D997-E999 PolarHBondContact O-N 3.21Å; D997-E999 WeakPolarHBondContact OD1-CA 3.44Å; D997-E999 WeakPolarHBondContact OD1-CB 3.41Å; D997-E999 PolarHBondContact OD1-N 3.11Å; D997-G1000 PolarHBondContact O-N 2.94Å; D997-G1000 PolarHBondContact OD1-N 2.71Å; D997-G1000 VanDerWaalsContact OD1-N 3.15Å; D997-N1001 PolarHBondContact N-O 3.19Å; D997-N1001 WeakPolarHBondContact OD1-CB 3.38Å; D997-N1001 PolarHBondContact OD1-N 2.91Å; D997-N1001 PolarHBondContact OD1-ND2 3.37Å; D997-N1001 PolarHBondContact OD2-ND2 3.22Å |
| 998 | D | 84.8 | Confident | 92.5 | Very high | 85 Ų | 85 | 40.9 Ų | 40.9 | 46% | 0.455 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -14.4 | 178.9 | -56.7 | -42.4 | 0 | 0 | 0 | 114.4 | Q977 | Q977-D998 WeakPolarHBondContact CB-OD1 3.06Å; Q977-D998 PolarHBondContact N-OD2 2.9Å |
| 999 | E | 84.9 | Confident | 92.4 | Very high | 93 Ų | 93 | 43.6 Ų | 43.6 | 44% | 0.435 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 1.3 | 179.4 | -72.5 | 156.7 | -155.4 | 0 | 0 | 111.5 | K973 R976 D997 N1001 | K973-E999 IonicContact NZ-OE1 3.62Å; K973-E999 PolarHBondContact NZ-OE1 3.31Å; R976-E999 IonicContact NH2-OE2 2.69Å; D997-E999 PolarHBondContact O-N 3.21Å; D997-E999 WeakPolarHBondContact OD1-CA 3.44Å; D997-E999 WeakPolarHBondContact OD1-CB 3.41Å; D997-E999 PolarHBondContact OD1-N 3.11Å; E999-N1001 WeakPolarHBondContact CB-ND2 3.44Å |
| 1000 | G | 86.3 | Confident | 91.9 | Very high | 52 Ų | 52 | 48.2 Ų | 48.2 | 54% | 0.536 | 24% | 0.244 | S | C | . | . | trans | 81.5 | 9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | D997 | D997-G1000 PolarHBondContact O-N 2.94Å; D997-G1000 PolarHBondContact OD1-N 2.71Å; D997-G1000 VanDerWaalsContact OD1-N 3.15Å | ||
| 1001 | N | 90.3 | Very high | 91.3 | Very high | 78 Ų | 78 | 49.3 Ų | 49.3 | 42% | 0.417 | 25% | 0.248 | S | C | . | . | trans | -69.7 | 138.1 | 178.5 | -58.3 | -80.8 | 0 | 0 | 0 | 110.7 | F966 Y996 D997 E999 | F966-N1001 HydrophobicContact CE2-CB 3.98Å; F966-N1001 HydrophobicContact CZ-CB 4.42Å; F966-N1001 WeakPolarHBondContact CZ-O 3.46Å; Y996-N1001 VanDerWaalsContact CA-O 3.29Å; Y996-N1001 WeakPolarHBondContact CA-O 3.3Å; D997-N1001 PolarHBondContact N-O 3.19Å; D997-N1001 WeakPolarHBondContact OD1-CB 3.38Å; D997-N1001 PolarHBondContact OD1-N 2.91Å; D997-N1001 PolarHBondContact OD1-ND2 3.37Å; D997-N1001 PolarHBondContact OD2-ND2 3.22Å; E999-N1001 WeakPolarHBondContact CB-ND2 3.44Å | ||
| 1002 | D | 93.3 | Very high | 90.6 | Very high | 46 Ų | 46 | 54.3 Ų | 54.3 | 25% | 0.246 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -96.7 | 122 | -174.3 | 172.3 | -16.2 | 0 | 0 | 0 | 111.2 | N994 Y996 L1004 S1005 F1006 | N994-D1002 PolarHBondContact ND2-OD1 2.86Å; N994-D1002 PolarHBondContact ND2-OD2 3.1Å; N994-D1002 PolarHBondContact OD1-OD1 3.38Å; N994-D1002 VanDerWaalsContact OD1-OD1 3.13Å; Y996-D1002 HydrophobicContact CD1-CB 4.2Å; Y996-D1002 HydrophobicContact CE1-CB 4.04Å; D1002-L1004 WeakPolarHBondContact OD1-CA 3.49Å; D1002-L1004 PolarHBondContact OD1-N 3.06Å; D1002-S1005 VanDerWaalsContact CG-OG 3.22Å; D1002-S1005 PolarHBondContact OD1-N 2.92Å; D1002-S1005 VanDerWaalsContact OD2-CB 3.25Å; D1002-S1005 WeakPolarHBondContact OD2-CB 3.23Å; D1002-S1005 PolarHBondContact OD2-OG 3.21Å; D1002-F1006 WeakPolarHBondContact O-CB 3.37Å; D1002-F1006 PolarHBondContact O-N 3.24Å |
| 1003 | L | 94.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -74.4 | -41.4 | 178.7 | -179 | 56.8 | 0 | 0 | 0 | 113.5 | I942 V962 F966 F967 I995 F1006 V1007 | I942-L1003 HydrophobicContact CD1-CD2 4.01Å; I942-L1003 HydrophobicContact CD1-CG 4.14Å; V962-L1003 HydrophobicContact CG1-CD1 3.82Å; V962-L1003 HydrophobicContact CG2-CD1 4.43Å; F966-L1003 HydrophobicContact CB-CD1 4.1Å; F966-L1003 HydrophobicContact CD1-CB 4.35Å; F966-L1003 HydrophobicContact CD1-CD1 3.85Å; F966-L1003 HydrophobicContact CD1-CG 4.46Å; F966-L1003 HydrophobicContact CD2-CB 4.45Å; F966-L1003 HydrophobicContact CD2-CD1 3.97Å; F966-L1003 HydrophobicContact CE1-CB 3.88Å; F966-L1003 HydrophobicContact CE1-CD1 4.28Å; F966-L1003 HydrophobicContact CE1-CG 4.44Å; F966-L1003 HydrophobicContact CE2-CB 3.99Å; F966-L1003 HydrophobicContact CE2-CD1 4.38Å; F966-L1003 HydrophobicContact CG-CD1 3.69Å; F966-L1003 HydrophobicContact CZ-CB 3.68Å; F967-L1003 HydrophobicContact CE1-CD2 4.23Å; F967-L1003 HydrophobicContact CZ-CD2 3.64Å; I995-L1003 HydrophobicContact CB-CB 4.13Å; I995-L1003 HydrophobicContact CB-CD2 4.12Å; I995-L1003 HydrophobicContact CD1-CD2 4.06Å; I995-L1003 WeakPolarHBondContact O-CB 3.29Å; I995-L1003 PolarHBondContact O-N 2.79Å; L1003-F1006 HydrophobicContact CD1-CD1 4.21Å; L1003-F1006 WeakPolarHBondContact O-CB 3.47Å; L1003-F1006 PolarHBondContact O-N 3.47Å; L1003-F1006 VanDerWaalsContact O-N 3.16Å; L1003-V1007 HydrophobicContact CD1-CG2 3.86Å; L1003-V1007 HydrophobicContact CG-CG2 4.35Å; L1003-V1007 WeakPolarHBondContact O-CB 3.42Å; L1003-V1007 VanDerWaalsContact O-CG2 3.28Å; L1003-V1007 WeakPolarHBondContact O-CG2 3.41Å; L1003-V1007 PolarHBondContact O-N 2.9Å |
| 1004 | L | 94.2 | Very high | 89.9 | Confident | 22 Ų | 22 | 50.1 Ų | 50.1 | 12% | 0.115 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.8 | -48.7 | 178.2 | 176.6 | 64.9 | 0 | 0 | 0 | 110.5 | I942 L945 N994 D1002 F1006 V1007 I1008 | I942-L1004 HydrophobicContact CG2-CD1 4.19Å; L945-L1004 HydrophobicContact CD1-CD1 3.9Å; L945-L1004 HydrophobicContact CD2-CD1 3.89Å; L945-L1004 HydrophobicContact CG-CD1 4.33Å; N994-L1004 HydrophobicContact CB-CB 4.46Å; N994-L1004 WeakPolarHBondContact OD1-CB 3.15Å; N994-L1004 PolarHBondContact OD1-N 2.75Å; D1002-L1004 WeakPolarHBondContact OD1-CA 3.49Å; D1002-L1004 PolarHBondContact OD1-N 3.06Å; L1004-F1006 VanDerWaalsContact C-N 3.34Å; L1004-V1007 PolarHBondContact O-N 2.87Å; L1004-I1008 HydrophobicContact CD1-CD1 3.64Å; L1004-I1008 HydrophobicContact CD1-CG1 4.19Å; L1004-I1008 HydrophobicContact CG-CD1 3.91Å; L1004-I1008 WeakPolarHBondContact O-CG1 3.41Å; L1004-I1008 PolarHBondContact O-N 3.34Å |
| 1005 | S | 92.6 | Very high | 89.7 | Confident | 52 Ų | 52 | 53 Ų | 53 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66 | -34.6 | 173.6 | -65 | 0 | 0 | 0 | 0 | 112 | D1002 V1007 N1009 | D1002-S1005 VanDerWaalsContact CG-OG 3.22Å; D1002-S1005 PolarHBondContact OD1-N 2.92Å; D1002-S1005 VanDerWaalsContact OD2-CB 3.25Å; D1002-S1005 WeakPolarHBondContact OD2-CB 3.23Å; D1002-S1005 PolarHBondContact OD2-OG 3.21Å; S1005-V1007 VanDerWaalsContact C-N 3.28Å; S1005-V1007 PolarHBondContact O-N 3.09Å; S1005-N1009 WeakPolarHBondContact O-CB 3.05Å; S1005-N1009 PolarHBondContact O-N 3.14Å; S1005-N1009 PolarHBondContact O-ND2 3.01Å |
| 1006 | F | 91.8 | Very high | 89.4 | Confident | 13 Ų | 13 | 53.7 Ų | 53.7 | 6% | 0.057 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -38.8 | 173.3 | 176.1 | -85.2 | 0 | 0 | 0 | 112.1 | L961 V962 D965 F966 D1002 L1003 L1004 R1010 F1011 | L961-F1006 HydrophobicContact CD2-CE1 3.72Å; L961-F1006 HydrophobicContact CD2-CZ 3.49Å; L961-F1006 VanDerWaalsContact CD2-CZ 3.49Å; V962-F1006 HydrophobicContact CG2-CD1 4.23Å; V962-F1006 HydrophobicContact CG2-CE1 3.91Å; D965-F1006 HydrophobicContact CB-CE2 4.49Å; D965-F1006 HydrophobicContact CB-CZ 3.93Å; D965-F1006 WeakPolarHBondContact O-CE2 3.18Å; F966-F1006 HydrophobicContact CB-CD1 4.28Å; F966-F1006 HydrophobicContact CB-CE1 4.16Å; F966-F1006 HydrophobicContact CB-CE2 4.48Å; F966-F1006 HydrophobicContact CB-CZ 4.26Å; F966-F1006 HydrophobicContact CD2-CB 3.94Å; F966-F1006 HydrophobicContact CD2-CD1 4.33Å; F966-F1006 AromaticContact CD2-CD2 3.98Å; F966-F1006 HydrophobicContact CD2-CD2 3.98Å; F966-F1006 AromaticContact CD2-CG 3.84Å; F966-F1006 HydrophobicContact CD2-CG 3.84Å; F966-F1006 HydrophobicContact CE2-CB 4.3Å; D1002-F1006 WeakPolarHBondContact O-CB 3.37Å; D1002-F1006 PolarHBondContact O-N 3.24Å; L1003-F1006 HydrophobicContact CD1-CD1 4.21Å; L1003-F1006 WeakPolarHBondContact O-CB 3.47Å; L1003-F1006 PolarHBondContact O-N 3.47Å; L1003-F1006 VanDerWaalsContact O-N 3.16Å; L1004-F1006 VanDerWaalsContact C-N 3.34Å; F1006-R1010 VanDerWaalsContact CD2-NH1 3.3Å; F1006-R1010 WeakPolarHBondContact O-CD 3.06Å; F1006-R1010 WeakPolarHBondContact O-CG 3.32Å; F1006-R1010 PolarHBondContact O-NH1 2.84Å; F1006-F1011 HydrophobicContact CE1-CE2 4.49Å |
| 1007 | V | 91.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -77.5 | -53.2 | -177.8 | 169.4 | 0 | 0 | 0 | 0 | 111.7 | P831 L945 W954 V962 L1003 L1004 S1005 N1009 R1010 F1011 | P831-V1007 HydrophobicContact CB-CG1 3.96Å; P831-V1007 HydrophobicContact CB-CG2 3.8Å; L945-V1007 HydrophobicContact CD1-CG1 4.46Å; L945-V1007 HydrophobicContact CD2-CG1 4.22Å; W954-V1007 HydrophobicContact CH2-CG1 3.73Å; W954-V1007 HydrophobicContact CZ3-CG1 4.06Å; V962-V1007 HydrophobicContact CG2-CG2 3.92Å; L1003-V1007 HydrophobicContact CD1-CG2 3.86Å; L1003-V1007 HydrophobicContact CG-CG2 4.35Å; L1003-V1007 WeakPolarHBondContact O-CB 3.42Å; L1003-V1007 VanDerWaalsContact O-CG2 3.28Å; L1003-V1007 WeakPolarHBondContact O-CG2 3.41Å; L1003-V1007 PolarHBondContact O-N 2.9Å; L1004-V1007 PolarHBondContact O-N 2.87Å; S1005-V1007 VanDerWaalsContact C-N 3.28Å; S1005-V1007 PolarHBondContact O-N 3.09Å; V1007-N1009 VanDerWaalsContact C-N 3.27Å; V1007-N1009 PolarHBondContact O-N 3.42Å; V1007-R1010 PolarHBondContact O-N 3.14Å; V1007-F1011 HydrophobicContact CB-CD2 4.26Å; V1007-F1011 HydrophobicContact CG1-CD2 3.94Å; V1007-F1011 HydrophobicContact CG2-CD2 4.43Å; V1007-F1011 WeakPolarHBondContact O-CD2 3.48Å; V1007-F1011 PolarHBondContact O-N 3.31Å |
| 1008 | I | 89.7 | Confident | 89.3 | Confident | 73 Ų | 73 | 61.6 Ų | 61.6 | 37% | 0.374 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.6 | -38.8 | -177.7 | -69.8 | 174.8 | 0 | 0 | 0 | 111.2 | L945 L1004 R1010 | L945-I1008 HydrophobicContact CD1-CG1 4.44Å; L1004-I1008 HydrophobicContact CD1-CD1 3.64Å; L1004-I1008 HydrophobicContact CD1-CG1 4.19Å; L1004-I1008 HydrophobicContact CG-CD1 3.91Å; L1004-I1008 WeakPolarHBondContact O-CG1 3.41Å; L1004-I1008 PolarHBondContact O-N 3.34Å; I1008-R1010 PolarHBondContact O-N 3.45Å |
| 1009 | N | 86.6 | Confident | 89.8 | Confident | 126 Ų | 126 | 57.6 Ų | 57.6 | 67% | 0.674 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | 5.3 | 178.2 | -68.3 | -63.7 | 0 | 0 | 0 | 114.4 | S1005 V1007 | S1005-N1009 WeakPolarHBondContact O-CB 3.05Å; S1005-N1009 PolarHBondContact O-N 3.14Å; S1005-N1009 PolarHBondContact O-ND2 3.01Å; V1007-N1009 VanDerWaalsContact C-N 3.27Å; V1007-N1009 PolarHBondContact O-N 3.42Å |
| 1010 | R | 83.6 | Confident | 90.2 | Very high | 108 Ų | 108 | 55.1 Ų | 55.1 | 41% | 0.408 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.6 | -24.8 | -177 | -71.2 | -178.2 | 178.7 | 72.4 | 9.4 | 115 | F1006 V1007 I1008 | F1006-R1010 VanDerWaalsContact CD2-NH1 3.3Å; F1006-R1010 WeakPolarHBondContact O-CD 3.06Å; F1006-R1010 WeakPolarHBondContact O-CG 3.32Å; F1006-R1010 PolarHBondContact O-NH1 2.84Å; V1007-R1010 PolarHBondContact O-N 3.14Å; I1008-R1010 PolarHBondContact O-N 3.45Å |
| 1011 | F | 85.1 | Confident | 90.7 | Very high | 22 Ų | 22 | 58.4 Ų | 58.4 | 10% | 0.096 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -129.4 | 156.9 | -174 | -52.4 | -72.7 | 0 | 0 | 0 | 111.5 | N538 W954 A958 L961 V962 F1006 V1007 S1013 | N538-F1011 WeakPolarHBondContact ND2-CE1 3.33Å; W954-F1011 HydrophobicContact CZ3-CB 4.13Å; A958-F1011 HydrophobicContact CB-CD1 3.54Å; A958-F1011 HydrophobicContact CB-CE1 3.41Å; A958-F1011 VanDerWaalsContact CB-CE1 3.41Å; A958-F1011 HydrophobicContact CB-CE2 4.46Å; A958-F1011 HydrophobicContact CB-CG 4.14Å; A958-F1011 HydrophobicContact CB-CZ 3.89Å; L961-F1011 HydrophobicContact CB-CZ 4.13Å; L961-F1011 HydrophobicContact CD1-CZ 4.39Å; L961-F1011 HydrophobicContact CD2-CZ 3.92Å; L961-F1011 HydrophobicContact CG-CZ 4.36Å; V962-F1011 HydrophobicContact CG2-CE2 3.92Å; V962-F1011 HydrophobicContact CG2-CZ 4.41Å; F1006-F1011 HydrophobicContact CE1-CE2 4.49Å; V1007-F1011 HydrophobicContact CB-CD2 4.26Å; V1007-F1011 HydrophobicContact CG1-CD2 3.94Å; V1007-F1011 HydrophobicContact CG2-CD2 4.43Å; V1007-F1011 WeakPolarHBondContact O-CD2 3.48Å; V1007-F1011 PolarHBondContact O-N 3.31Å; F1011-S1013 PolarHBondContact O-N 3.43Å; F1011-S1013 VanDerWaalsContact O-N 3.08Å |
| 1012 | R | 81.4 | Confident | 90.9 | Very high | 108 Ų | 108 | 57.4 Ų | 57.4 | 41% | 0.408 | 28% | 0.283 | S | S | . | . | trans | -76.8 | 94.6 | 173.1 | -70.4 | -170.7 | -163.3 | -164.4 | 3.8 | 110.1 | H568 P947 E948 | H568-R1012 PolarHBondContact CD2-NH1 2.91Å; H568-R1012 PolarHBondContact CE1-NH2 2.84Å; H568-R1012 VanDerWaalsContact NE2-CZ 3.33Å; H568-R1012 PolarHBondContact NE2-NH1 2.97Å; H568-R1012 PolarHBondContact NE2-NH2 3.39Å; P947-R1012 WeakPolarHBondContact CA-O 3.42Å; E948-R1012 HydrophobicContact CB-CB 4.23Å; E948-R1012 HydrophobicContact CG-CB 4.06Å; E948-R1012 PolarHBondContact N-O 2.82Å; E948-R1012 VanDerWaalsContact N-O 3.1Å; E948-R1012 WeakPolarHBondContact OE2-CB 3.09Å; E948-R1012 WeakPolarHBondContact OE2-CD 3.49Å | ||
| 1013 | S | 89 | Confident | 91 | Very high | 18 Ų | 18 | 55.2 Ų | 55.2 | 13% | 0.126 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 141.6 | -176 | 60.1 | 0 | 0 | 0 | 0 | 111.7 | Q946 W954 F1011 | Q946-S1013 CarbonylContact O-C 3.49Å; Q946-S1013 VanDerWaalsContact O-CA 3.26Å; Q946-S1013 WeakPolarHBondContact O-CA 3.16Å; W954-S1013 VanDerWaalsContact CH2-CB 3.48Å; F1011-S1013 PolarHBondContact O-N 3.43Å; F1011-S1013 VanDerWaalsContact O-N 3.08Å |
| 1014 | H | 89.4 | Confident | 91 | Very high | 60 Ų | 60 | 58 Ų | 58 | 28% | 0.278 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 137.8 | 174.6 | 166.6 | 63.2 | 0 | 0 | 0 | 109 | R757 Q946 | R757-H1014 VanDerWaalsContact CZ-CD2 3.4Å; R757-H1014 PolarHBondContact NE-CD2 3.42Å; R757-H1014 PolarHBondContact NE-NE2 2.77Å; R757-H1014 PolarHBondContact NH2-CD2 3.08Å; Q946-H1014 PolarHBondContact N-O 3.01Å; Q946-H1014 PolarHBondContact O-N 3.25Å |
| 1015 | Q | 91.6 | Very high | 90.9 | Very high | 69 Ų | 69 | 59.2 Ų | 59.2 | 32% | 0.322 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 118.8 | 169.4 | -170.2 | 164.7 | 25 | 0 | 0 | 109 | L943 E1017 | L943-Q1015 PolarHBondContact O-NE2 3.25Å; Q1015-E1017 PolarHBondContact O-N 2.7Å |
| 1016 | D | 91.6 | Very high | 90.9 | Very high | 16 Ų | 16 | 57.1 Ų | 57.1 | 9% | 0.086 | 28% | 0.284 | C | S | . | . | trans | -89.1 | 98.6 | 178.8 | -171.7 | -28.9 | 0 | 0 | 0 | 109.2 | G944 Q946 C1018 C1019 K1022 | G944-D1016 PolarHBondContact O-N 2.99Å; Q946-D1016 VanDerWaalsContact NE2-CB 3.29Å; D1016-C1018 PolarHBondContact O-N 2.87Å; D1016-C1018 WeakPolarHBondContact OD1-CB 3.27Å; D1016-C1018 PolarHBondContact OD1-N 2.88Å; D1016-C1019 HydrophobicContact CB-CB 4.38Å; D1016-C1019 WeakPolarHBondContact O-CB 3.5Å; D1016-C1019 PolarHBondContact O-N 3.47Å; D1016-C1019 PolarHBondContact OD1-N 2.69Å; D1016-K1022 IonicContact OD1-NZ 3.34Å; D1016-K1022 IonicContact OD2-NZ 2.84Å; D1016-K1022 PolarHBondContact OD2-NZ 3.5Å | ||
| 1017 | E | 91.1 | Very high | 91 | Very high | 186 Ų | 186 | 58.2 Ų | 58.2 | 87% | 0.869 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -26.8 | -178.3 | -60.1 | -175.7 | 160.2 | 0 | 0 | 112.3 | Q1015 C1019 | Q1015-E1017 PolarHBondContact O-N 2.7Å; E1017-C1019 VanDerWaalsContact C-N 3.26Å; E1017-C1019 PolarHBondContact O-N 3.43Å |
| 1018 | C | 91.8 | Very high | 91 | Very high | 66 Ų | 66 | 65.6 Ų | 65.6 | 45% | 0.446 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -2 | 176.6 | -61 | 0 | 0 | 0 | 0 | 113.5 | D1016 Q1020 L1021 K1022 | D1016-C1018 PolarHBondContact O-N 2.87Å; D1016-C1018 WeakPolarHBondContact OD1-CB 3.27Å; D1016-C1018 PolarHBondContact OD1-N 2.88Å; C1018-Q1020 VanDerWaalsContact C-N 3.3Å; C1018-Q1020 PolarHBondContact O-N 3.03Å; C1018-L1021 WeakPolarHBondContact O-CB 3.29Å; C1018-L1021 PolarHBondContact O-N 3.43Å; C1018-L1021 VanDerWaalsContact O-N 3.1Å; C1018-K1022 WeakPolarHBondContact O-CG 3.49Å; C1018-K1022 PolarHBondContact O-N 2.93Å; C1018-K1022 VanDerWaalsContact O-N 3.09Å |
| 1019 | C | 94.9 | Very high | 91 | Very high | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.007 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56.7 | -36.7 | -175.9 | -174.5 | 0 | 0 | 0 | 0 | 114 | L943 G944 D1016 E1017 K1022 L1023 | L943-C1019 HydrophobicContact CD1-CB 4.12Å; L943-C1019 HydrophobicContact CG-CB 4.41Å; G944-C1019 VanDerWaalsContact CA-CB 3.45Å; G944-C1019 PolarHBondContact N-SG 2.9Å; G944-C1019 VanDerWaalsContact N-SG 3.44Å; D1016-C1019 HydrophobicContact CB-CB 4.38Å; D1016-C1019 WeakPolarHBondContact O-CB 3.5Å; D1016-C1019 PolarHBondContact O-N 3.47Å; D1016-C1019 PolarHBondContact OD1-N 2.69Å; E1017-C1019 VanDerWaalsContact C-N 3.26Å; E1017-C1019 PolarHBondContact O-N 3.43Å; C1019-K1022 PolarHBondContact O-N 3.34Å; C1019-L1023 WeakPolarHBondContact O-CG 3.44Å; C1019-L1023 PolarHBondContact O-N 2.73Å; C1019-L1023 VanDerWaalsContact O-N 3.11Å |
| 1020 | Q | 94.7 | Very high | 91.2 | Very high | 41 Ų | 41 | 60 Ų | 60 | 19% | 0.192 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.6 | -46.9 | 176.3 | -170.1 | 60.5 | 64.6 | 0 | 0 | 110.7 | L943 S984 C1018 K1022 L1023 D1024 | L943-Q1020 HydrophobicContact CD1-CB 4.44Å; L943-Q1020 HydrophobicContact CD2-CB 4.17Å; S984-Q1020 PolarHBondContact OG-NE2 3.44Å; S984-Q1020 PolarHBondContact OG-OE1 2.65Å; C1018-Q1020 VanDerWaalsContact C-N 3.3Å; C1018-Q1020 PolarHBondContact O-N 3.03Å; Q1020-K1022 PolarHBondContact O-N 2.82Å; Q1020-L1023 CarbonylContact O-C 3.57Å; Q1020-L1023 PolarHBondContact O-N 2.85Å; Q1020-D1024 PolarHBondContact NE2-OD1 3.23Å; Q1020-D1024 PolarHBondContact O-N 2.85Å |
| 1021 | L | 95.3 | Very high | 91.4 | Very high | 121 Ų | 121 | 59.2 Ų | 59.2 | 63% | 0.634 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -58.8 | -34.9 | 178.9 | -59.3 | 174.7 | 0 | 0 | 0 | 112.4 | C1018 A1025 | C1018-L1021 WeakPolarHBondContact O-CB 3.29Å; C1018-L1021 PolarHBondContact O-N 3.43Å; C1018-L1021 VanDerWaalsContact O-N 3.1Å; L1021-A1025 VanDerWaalsContact O-CB 3.27Å; L1021-A1025 WeakPolarHBondContact O-CB 3.42Å; L1021-A1025 PolarHBondContact O-N 3.24Å |
| 1022 | K | 95 | Very high | 91.4 | Very high | 56 Ų | 56 | 63 Ų | 63 | 24% | 0.243 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.1 | -42.7 | 174.4 | -63.9 | 173.2 | -178.8 | -177.3 | 0 | 112.2 | F790 D792 D1016 C1018 C1019 Q1020 A1025 M1026 | F790-K1022 WeakPolarHBondContact O-CB 3.43Å; F790-K1022 WeakPolarHBondContact O-CD 3.44Å; D792-K1022 HydrophobicContact CB-CD 4.4Å; D792-K1022 WeakPolarHBondContact OD2-CE 3.08Å; D792-K1022 IonicContact OD2-NZ 3.32Å; D792-K1022 PolarHBondContact OD2-NZ 3.03Å; D1016-K1022 IonicContact OD1-NZ 3.34Å; D1016-K1022 IonicContact OD2-NZ 2.84Å; D1016-K1022 PolarHBondContact OD2-NZ 3.5Å; C1018-K1022 WeakPolarHBondContact O-CG 3.49Å; C1018-K1022 PolarHBondContact O-N 2.93Å; C1018-K1022 VanDerWaalsContact O-N 3.09Å; C1019-K1022 PolarHBondContact O-N 3.34Å; Q1020-K1022 PolarHBondContact O-N 2.82Å; K1022-A1025 PolarHBondContact O-N 2.82Å; K1022-M1026 WeakPolarHBondContact O-CB 3.38Å; K1022-M1026 PolarHBondContact O-N 2.92Å |
| 1023 | L | 94.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.7 | -39 | 175.7 | -70.7 | 166.8 | 0 | 0 | 0 | 111.7 | L943 I986 F991 C1019 Q1020 M1026 V1027 | L943-L1023 HydrophobicContact CD1-CD1 3.84Å; I986-L1023 HydrophobicContact CD1-CB 3.91Å; F991-L1023 HydrophobicContact CD1-CD1 4.01Å; F991-L1023 HydrophobicContact CD2-CD1 4.46Å; F991-L1023 HydrophobicContact CE1-CD1 3.67Å; F991-L1023 HydrophobicContact CE2-CD1 4.17Å; F991-L1023 HydrophobicContact CG-CD1 4.39Å; F991-L1023 HydrophobicContact CZ-CD1 3.76Å; F991-L1023 HydrophobicContact CZ-CD2 4.08Å; C1019-L1023 WeakPolarHBondContact O-CG 3.44Å; C1019-L1023 PolarHBondContact O-N 2.73Å; C1019-L1023 VanDerWaalsContact O-N 3.11Å; Q1020-L1023 CarbonylContact O-C 3.57Å; Q1020-L1023 PolarHBondContact O-N 2.85Å; L1023-M1026 HydrophobicContact CD2-CE 3.94Å; L1023-M1026 WeakPolarHBondContact O-CB 3.48Å; L1023-M1026 PolarHBondContact O-N 3.44Å; L1023-V1027 WeakPolarHBondContact O-CG2 3.27Å; L1023-V1027 PolarHBondContact O-N 2.78Å |
| 1024 | D | 94.4 | Very high | 90.3 | Very high | 59 Ų | 59 | 62 Ų | 62 | 32% | 0.316 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 174.8 | -59.3 | -24 | 0 | 0 | 0 | 110.6 | Q1020 V1027 M1028 | Q1020-D1024 PolarHBondContact NE2-OD1 3.23Å; Q1020-D1024 PolarHBondContact O-N 2.85Å; D1024-V1027 PolarHBondContact O-N 3.01Å; D1024-M1028 WeakPolarHBondContact O-CG 3.4Å; D1024-M1028 PolarHBondContact O-N 3.09Å |
| 1025 | A | 93.4 | Very high | 89.2 | Confident | 47 Ų | 47 | 65.5 Ų | 65.5 | 39% | 0.388 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1021 K1022 V1027 M1028 S1029 | L1021-A1025 VanDerWaalsContact O-CB 3.27Å; L1021-A1025 WeakPolarHBondContact O-CB 3.42Å; L1021-A1025 PolarHBondContact O-N 3.24Å; K1022-A1025 PolarHBondContact O-N 2.82Å; A1025-V1027 VanDerWaalsContact C-N 3.34Å; A1025-V1027 PolarHBondContact O-N 2.82Å; A1025-M1028 PolarHBondContact O-N 2.89Å; A1025-S1029 WeakPolarHBondContact O-CB 3.4Å; A1025-S1029 PolarHBondContact O-N 3.1Å; A1025-S1029 PolarHBondContact O-OG 3.23Å |
| 1026 | M | 92.6 | Very high | 87 | Confident | 9 Ų | 9 | 71.7 Ų | 71.7 | 4% | 0.044 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -56.4 | -47.1 | 172.5 | 177.2 | -165.4 | 67.2 | 0 | 0 | 111 | M787 M804 I986 K1022 L1023 S1029 S1030 | M787-M1026 HydrophobicContact CG-CG 4.21Å; M787-M1026 HydrophobicContact CG-SD 3.61Å; M787-M1026 HydrophobicContact SD-CB 4.15Å; M787-M1026 HydrophobicContact SD-CG 3.81Å; M787-M1026 HydrophobicContact SD-SD 3.69Å; M787-M1026 VanDerWaalsContact SD-SD 3.69Å; M804-M1026 HydrophobicContact CB-CG 4.21Å; M804-M1026 HydrophobicContact CE-CE 3.9Å; M804-M1026 HydrophobicContact SD-CE 3.93Å; I986-M1026 HydrophobicContact CG2-CE 4.29Å; K1022-M1026 WeakPolarHBondContact O-CB 3.38Å; K1022-M1026 PolarHBondContact O-N 2.92Å; L1023-M1026 HydrophobicContact CD2-CE 3.94Å; L1023-M1026 WeakPolarHBondContact O-CB 3.48Å; L1023-M1026 PolarHBondContact O-N 3.44Å; M1026-S1029 WeakPolarHBondContact CA-OG 3.37Å; M1026-S1029 PolarHBondContact O-N 3.34Å; M1026-S1029 PolarHBondContact O-OG 3.45Å; M1026-S1030 PolarHBondContact O-N 3.24Å |
| 1027 | V | 93.1 | Very high | 86.8 | Confident | 36 Ų | 36 | 74.5 Ų | 74.5 | 22% | 0.218 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.9 | -46 | 177.6 | 164.1 | 0 | 0 | 0 | 0 | 111.9 | M804 V809 I986 L1023 D1024 A1025 S1029 S1030 | M804-V1027 HydrophobicContact SD-CG2 4.18Å; V809-V1027 HydrophobicContact CG1-CG1 3.62Å; V809-V1027 HydrophobicContact CG1-CG2 4.4Å; V809-V1027 HydrophobicContact CG2-CG1 4.31Å; I986-V1027 HydrophobicContact CD1-CG2 4.14Å; I986-V1027 HydrophobicContact CG2-CG2 3.65Å; L1023-V1027 WeakPolarHBondContact O-CG2 3.27Å; L1023-V1027 PolarHBondContact O-N 2.78Å; D1024-V1027 PolarHBondContact O-N 3.01Å; A1025-V1027 VanDerWaalsContact C-N 3.34Å; A1025-V1027 PolarHBondContact O-N 2.82Å; V1027-S1029 PolarHBondContact O-N 3.05Å; V1027-S1030 VanDerWaalsContact O-CB 3.25Å; V1027-S1030 WeakPolarHBondContact O-CB 3.45Å; V1027-S1030 PolarHBondContact O-N 2.96Å; V1027-S1030 PolarHBondContact O-OG 3.11Å |
| 1028 | M | 92.2 | Very high | 86.6 | Confident | 154 Ų | 154 | 68.6 Ų | 68.6 | 76% | 0.759 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64 | -28.5 | 176.5 | -71.1 | -173.8 | -67.2 | 0 | 0 | 112.9 | D1024 A1025 S1030 | D1024-M1028 WeakPolarHBondContact O-CG 3.4Å; D1024-M1028 PolarHBondContact O-N 3.09Å; A1025-M1028 PolarHBondContact O-N 2.89Å; M1028-S1030 VanDerWaalsContact C-N 3.28Å; M1028-S1030 PolarHBondContact O-N 2.9Å |
| 1029 | S | 89.9 | Confident | 86.3 | Confident | 59 Ų | 59 | 68.7 Ų | 68.7 | 41% | 0.413 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 3.8 | 176.8 | 75.7 | 0 | 0 | 0 | 0 | 114.9 | A1025 M1026 V1027 | A1025-S1029 WeakPolarHBondContact O-CB 3.4Å; A1025-S1029 PolarHBondContact O-N 3.1Å; A1025-S1029 PolarHBondContact O-OG 3.23Å; M1026-S1029 WeakPolarHBondContact CA-OG 3.37Å; M1026-S1029 PolarHBondContact O-N 3.34Å; M1026-S1029 PolarHBondContact O-OG 3.45Å; V1027-S1029 PolarHBondContact O-N 3.05Å |
| 1030 | S | 90.3 | Very high | 85.8 | Confident | 23 Ų | 23 | 72.7 Ų | 72.7 | 16% | 0.161 | 38% | 0.383 | C | S | . | . | trans | -63.4 | 137.6 | -173.5 | 57.2 | 0 | 0 | 0 | 0 | 113.6 | M804 M1026 V1027 M1028 | M804-S1030 VanDerWaalsContact O-CA 3.25Å; M804-S1030 WeakPolarHBondContact O-CA 3.16Å; M804-S1030 WeakPolarHBondContact O-CB 3.38Å; M1026-S1030 PolarHBondContact O-N 3.24Å; V1027-S1030 VanDerWaalsContact O-CB 3.25Å; V1027-S1030 WeakPolarHBondContact O-CB 3.45Å; V1027-S1030 PolarHBondContact O-N 2.96Å; V1027-S1030 PolarHBondContact O-OG 3.11Å; M1028-S1030 VanDerWaalsContact C-N 3.28Å; M1028-S1030 PolarHBondContact O-N 2.9Å | ||
| 1031 | K | 87.9 | Confident | 85.2 | Confident | 91 Ų | 91 | 74.7 Ų | 74.7 | 40% | 0.396 | 40% | 0.395 | S | S | . | . | B | Isolated β-bridge | trans | -114.6 | 161.6 | -175.4 | -56.1 | -169.9 | -172.5 | -177 | 0 | 110.7 | E774 V803 M804 W805 R806 | E774-K1031 IonicContact OE1-NZ 3.26Å; E774-K1031 PolarHBondContact OE1-NZ 3.45Å; V803-K1031 HydrophobicContact CG1-CB 3.98Å; V803-K1031 HydrophobicContact CG1-CD 3.94Å; V803-K1031 HydrophobicContact CG1-CG 3.73Å; M804-K1031 PolarHBondContact O-N 3.22Å; M804-K1031 VanDerWaalsContact O-N 3.11Å; W805-K1031 CarbonylContact C-O 3.54Å; W805-K1031 VanDerWaalsContact CA-O 3.23Å; W805-K1031 WeakPolarHBondContact CA-O 3.42Å; R806-K1031 PolarHBondContact N-O 3Å |
| 1032 | D | 84.9 | Confident | 84.6 | Confident | 101 Ų | 101 | 71.6 Ų | 71.6 | 54% | 0.54 | 38% | 0.379 | S | S | . | . | trans | -66.9 | 151 | 173.7 | -61.2 | -58.9 | 0 | 0 | 0 | 111 | R806 P1034 | R806-D1032 WeakPolarHBondContact CD-OD1 3.47Å; R806-D1032 IonicContact CZ-OD1 3.71Å; R806-D1032 IonicContact CZ-OD2 3.65Å; R806-D1032 VanDerWaalsContact CZ-OD2 3.26Å; R806-D1032 IonicContact NE-OD1 3.95Å; R806-D1032 IonicContact NH1-OD1 3.68Å; R806-D1032 PolarHBondContact NH1-OD1 2.69Å; R806-D1032 IonicContact NH1-OD2 2.62Å; R806-D1032 PolarHBondContact NH1-OD2 2.69Å; R806-D1032 IonicContact NH2-OD2 3.64Å; D1032-P1034 WeakPolarHBondContact O-CD 3.42Å | ||
| 1033 | C | 78.4 | Confident | 83.8 | Confident | 21 Ų | 21 | 72.7 Ų | 72.7 | 14% | 0.142 | 39% | 0.388 | C | S | . | . | trans | -75.3 | 122 | 175.5 | -177 | 0 | 0 | 0 | 0 | 109.5 | W805 Y1035 M1036 | W805-C1033 HydrophobicContact CB-CB 4.4Å; W805-C1033 HydrophobicContact CD2-CB 3.91Å; W805-C1033 HydrophobicContact CE3-CB 4.31Å; W805-C1033 HydrophobicContact CG-CB 3.96Å; C1033-Y1035 PolarHBondContact O-N 3.37Å; C1033-M1036 HydrophobicContact CB-CG 4.08Å; C1033-M1036 HydrophobicContact CB-SD 4.24Å | ||
| 1034 | P | 69.7 | Low | 83 | Confident | 85 Ų | 85 | 78.2 Ų | 78.2 | 55% | 0.552 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 15.1 | -177.5 | 34.5 | -37.5 | 0 | 0 | 0 | 113.6 | D1032 | D1032-P1034 WeakPolarHBondContact O-CD 3.42Š|
| 1035 | Y | 64.6 | Low | 82 | Confident | 133 Ų | 133 | 79.8 Ų | 79.8 | 52% | 0.522 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133 | 19.9 | -176.5 | -53.2 | -61.2 | 0 | 0 | 0 | 112.7 | W805 C1033 | W805-Y1035 HydrophobicContact CZ2-CD2 4.42Å; C1033-Y1035 PolarHBondContact O-N 3.37Å |
| 1036 | M | 47.4 | Very low | 81 | Confident | 199 Ų | 199 | 82.8 Ų | 82.8 | 98% | 0.98 | 43% | 0.43 | S | S | * | . | trans | -100.3 | 0 | 167.8 | -75.4 | -175.2 | 171.7 | 0 | 0 | 110.4 | D807 C1033 | D807-M1036 HydrophobicContact CB-CE 4.1Å; D807-M1036 WeakPolarHBondContact OD2-CE 3.23Å; C1033-M1036 HydrophobicContact CB-CG 4.08Å; C1033-M1036 HydrophobicContact CB-SD 4.24Å |
Retrieved 1,036 of 1,036 residues in 2483.2 ms
(Link to these results)