| 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 | 43.8 | Very low | 50.5 | Low | 245 Ų | 245 | 146.1 Ų | 146.1 | 100% | 1.207 | 78% | 0.779 | S | S | * | * | 0 | 97.3 | 0 | -72.4 | 165.5 | 78.4 | 0 | 0 | 107.4 | |||||
| 2 | Q | 41.2 | Very low | 51.1 | Low | 192 Ų | 192 | 138.5 Ų | 138.5 | 90% | 0.897 | 75% | 0.752 | S | S | * | * | trans | -100 | 126 | -167.1 | -80.4 | 166.4 | -28.8 | 0 | 0 | 110.9 | R4 | Q2-R4 PolarHBondContact O-N 3.11Š| ||
| 3 | C | 41.5 | Very low | 51.7 | Low | 128 Ų | 128 | 136.2 Ų | 136.2 | 87% | 0.865 | 74% | 0.737 | S | S | * | * | trans | -54.7 | 120 | 177.1 | -82 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 4 | R | 48.3 | Very low | 52.2 | Low | 245 Ų | 245 | 135.3 Ų | 135.3 | 93% | 0.925 | 73% | 0.731 | S | S | * | * | trans | -95.5 | 112.3 | 163.9 | -72 | -173.2 | 176.1 | -168.7 | -0.3 | 108.7 | Q2 | Q2-R4 PolarHBondContact O-N 3.11Š| ||
| 5 | L | 52.7 | Low | 52.8 | Low | 156 Ų | 156 | 132.2 Ų | 132.2 | 82% | 0.817 | 72% | 0.719 | S | S | * | * | trans | -63.1 | 142.5 | 169.5 | -97.5 | 94 | 0 | 0 | 0 | 110.7 | R7 | L5-R7 PolarHBondContact O-N 3.41Š| ||
| 6 | P | 53.3 | Low | 53.5 | Low | 96 Ų | 96 | 132.1 Ų | 132.1 | 62% | 0.623 | 72% | 0.717 | S | S | * | * | trans | -78.1 | 119.2 | -179.3 | 30.9 | -30.9 | 0 | 0 | 0 | 110.7 | G8 | P6-G8 PolarHBondContact O-N 3.04Š| ||
| 7 | R | 56.3 | Low | 54.2 | Low | 246 Ų | 246 | 130.5 Ų | 130.5 | 93% | 0.928 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | 8.4 | 175.3 | -85.2 | 176.1 | 162.1 | 168.3 | -6 | 115.3 | L5 | L5-R7 PolarHBondContact O-N 3.41Š|
| 8 | G | 55 | Low | 54.6 | Low | 57 Ų | 57 | 127 Ų | 127 | 59% | 0.588 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -24.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | P6 | P6-G8 PolarHBondContact O-N 3.04Š|
| 9 | L | 53.7 | Low | 55.1 | Low | 123 Ų | 123 | 126.8 Ų | 126.8 | 64% | 0.644 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -80.7 | -28.3 | -175.9 | -90.9 | 142.1 | 0 | 0 | 0 | 113.5 | L13 | L9-L13 PolarHBondContact O-N 2.79Å |
| 10 | A | 55.4 | Low | 55.6 | Low | 76 Ų | 76 | 122.6 Ų | 122.6 | 63% | 0.628 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -71.8 | -32.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L14 | A10-L14 PolarHBondContact O-N 2.75Å |
| 11 | G | 54.3 | Low | 56.1 | Low | 43 Ų | 43 | 121.5 Ų | 121.5 | 44% | 0.443 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -72.9 | -37.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L14 T15 | G11-L14 PolarHBondContact O-N 2.94Å; G11-T15 PolarHBondContact O-N 2.8Å; G11-T15 PolarHBondContact O-OG1 2.83Å |
| 12 | A | 57.6 | Low | 56.9 | Low | 55 Ų | 55 | 115.1 Ų | 115.1 | 46% | 0.455 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -73.8 | -32.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | T15 L16 | A12-T15 PolarHBondContact O-OG1 2.94Å; A12-T15 VanDerWaalsContact O-OG1 3.06Å; A12-L16 PolarHBondContact O-N 3.11Å |
| 13 | L | 58.6 | Low | 57.8 | Low | 108 Ų | 108 | 109.4 Ų | 109.4 | 57% | 0.565 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68.8 | -36.4 | 173.6 | -106.1 | 122.6 | 0 | 0 | 0 | 112.1 | L9 L17 | L9-L13 PolarHBondContact O-N 2.79Å; L13-L17 WeakPolarHBondContact O-CB 3.45Å; L13-L17 PolarHBondContact O-N 2.86Å; L13-L17 VanDerWaalsContact O-N 3.09Å |
| 14 | L | 59.6 | Low | 58.7 | Low | 124 Ų | 124 | 108.5 Ų | 108.5 | 65% | 0.649 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -69 | -37.7 | -179.7 | -153.5 | 80.1 | 0 | 0 | 0 | 112.2 | A10 G11 C18 | A10-L14 PolarHBondContact O-N 2.75Å; G11-L14 PolarHBondContact O-N 2.94Å; L14-C18 PolarHBondContact O-N 2.84Å; L14-C18 PolarHBondContact O-SG 3.11Å |
| 15 | T | 60.4 | Low | 59.1 | Low | 89 Ų | 89 | 105.7 Ų | 105.7 | 55% | 0.546 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -71.8 | -38.4 | 178.2 | 46.8 | 0 | 0 | 0 | 0 | 112.6 | G11 A12 C18 M19 | G11-T15 PolarHBondContact O-N 2.8Å; G11-T15 PolarHBondContact O-OG1 2.83Å; A12-T15 PolarHBondContact O-OG1 2.94Å; A12-T15 VanDerWaalsContact O-OG1 3.06Å; T15-C18 PolarHBondContact O-N 3.25Å; T15-M19 WeakPolarHBondContact O-CG 3.31Å; T15-M19 PolarHBondContact O-N 2.85Å |
| 16 | L | 64.1 | Low | 59.4 | Low | 131 Ų | 131 | 106.3 Ų | 106.3 | 69% | 0.686 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.9 | -37.4 | 173.7 | -77.6 | 164.2 | 0 | 0 | 0 | 112.2 | A12 G20 | A12-L16 PolarHBondContact O-N 3.11Å; L16-G20 PolarHBondContact O-N 3.28Å |
| 17 | L | 66.1 | Low | 59.5 | Low | 104 Ų | 104 | 108.3 Ų | 108.3 | 55% | 0.545 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.3 | -41.9 | 174.3 | -116.7 | 128.4 | 0 | 0 | 0 | 112.3 | L13 G20 L21 | L13-L17 WeakPolarHBondContact O-CB 3.45Å; L13-L17 PolarHBondContact O-N 2.86Å; L13-L17 VanDerWaalsContact O-N 3.09Å; L17-G20 PolarHBondContact O-N 2.77Å; L17-L21 HydrophobicContact CD2-CD1 4.33Å; L17-L21 WeakPolarHBondContact O-CB 3.27Å; L17-L21 VanDerWaalsContact O-CG 3.31Å; L17-L21 WeakPolarHBondContact O-CG 3.37Å; L17-L21 PolarHBondContact O-N 3.39Å |
| 18 | C | 61.4 | Low | 59.4 | Low | 68 Ų | 68 | 102.5 Ų | 102.5 | 46% | 0.459 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.6 | -41.2 | 176.6 | -77.9 | 0 | 0 | 0 | 0 | 112.4 | L14 T15 L21 L22 | L14-C18 PolarHBondContact O-N 2.84Å; L14-C18 PolarHBondContact O-SG 3.11Å; T15-C18 PolarHBondContact O-N 3.25Å; C18-L21 PolarHBondContact O-N 3.33Å; C18-L22 WeakPolarHBondContact O-CB 3.26Å; C18-L22 WeakPolarHBondContact O-CD1 3.48Å; C18-L22 WeakPolarHBondContact O-CG 3.41Å; C18-L22 PolarHBondContact O-N 3.42Å |
| 19 | M | 64 | Low | 59.1 | Low | 124 Ų | 124 | 106.7 Ų | 106.7 | 61% | 0.611 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.7 | -38 | 175.8 | -70.7 | -63.3 | -72.3 | 0 | 0 | 112.1 | T15 L22 C23 | T15-M19 WeakPolarHBondContact O-CG 3.31Å; T15-M19 PolarHBondContact O-N 2.85Å; M19-L22 PolarHBondContact O-N 3.46Å; M19-L22 HydrophobicContact SD-CD1 4.46Å; M19-C23 PolarHBondContact O-N 3.26Å |
| 20 | G | 65.6 | Low | 58.7 | Low | 42 Ų | 42 | 106.4 Ų | 106.4 | 43% | 0.433 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.9 | -41.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L16 L17 C23 L24 | L16-G20 PolarHBondContact O-N 3.28Å; L17-G20 PolarHBondContact O-N 2.77Å; G20-C23 PolarHBondContact O-N 2.99Å; G20-L24 WeakPolarHBondContact O-CB 3.48Å; G20-L24 PolarHBondContact O-N 2.76Å |
| 21 | L | 64.7 | Low | 58 | Low | 100 Ų | 100 | 106.9 Ų | 106.9 | 52% | 0.524 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.1 | -35.2 | 175.8 | -74.6 | 166.7 | 0 | 0 | 0 | 112.7 | L17 C18 R25 | L17-L21 HydrophobicContact CD2-CD1 4.33Å; L17-L21 WeakPolarHBondContact O-CB 3.27Å; L17-L21 VanDerWaalsContact O-CG 3.31Å; L17-L21 WeakPolarHBondContact O-CG 3.37Å; L17-L21 PolarHBondContact O-N 3.39Å; C18-L21 PolarHBondContact O-N 3.33Å; L21-R25 WeakPolarHBondContact O-CB 3.42Å; L21-R25 WeakPolarHBondContact O-CG 3.49Å; L21-R25 PolarHBondContact O-N 2.89Å |
| 22 | L | 61.3 | Low | 57.4 | Low | 110 Ų | 110 | 110.5 Ų | 110.5 | 58% | 0.576 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.3 | -43.3 | 174.1 | -84 | 156.7 | 0 | 0 | 0 | 111.7 | C18 M19 R25 Y26 | C18-L22 WeakPolarHBondContact O-CB 3.26Å; C18-L22 WeakPolarHBondContact O-CD1 3.48Å; C18-L22 WeakPolarHBondContact O-CG 3.41Å; C18-L22 PolarHBondContact O-N 3.42Å; M19-L22 PolarHBondContact O-N 3.46Å; M19-L22 HydrophobicContact SD-CD1 4.46Å; L22-R25 PolarHBondContact O-N 3.4Å; L22-Y26 WeakPolarHBondContact O-CB 3.31Å; L22-Y26 PolarHBondContact O-N 3.43Å |
| 23 | C | 60.5 | Low | 56.5 | Low | 72 Ų | 72 | 116 Ų | 116 | 49% | 0.486 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66 | -38.6 | 173.8 | -84.8 | 0 | 0 | 0 | 0 | 112.5 | M19 G20 Y26 H27 | M19-C23 PolarHBondContact O-N 3.26Å; G20-C23 PolarHBondContact O-N 2.99Å; C23-Y26 PolarHBondContact O-N 3.37Å; C23-H27 PolarHBondContact O-CD2 3.42Å; C23-H27 PolarHBondContact O-N 3.09Å |
| 24 | L | 59.8 | Low | 55.5 | Low | 109 Ų | 109 | 122.3 Ų | 122.3 | 57% | 0.571 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.4 | -38.6 | 176.5 | -155 | 82 | 0 | 0 | 0 | 111.4 | G20 H27 L28 | G20-L24 WeakPolarHBondContact O-CB 3.48Å; G20-L24 PolarHBondContact O-N 2.76Å; L24-H27 PolarHBondContact O-N 3.38Å; L24-L28 HydrophobicContact CD2-CD1 4.17Å; L24-L28 HydrophobicContact CG-CD1 4.04Å; L24-L28 VanDerWaalsContact O-CB 3.26Å; L24-L28 WeakPolarHBondContact O-CB 3.34Å; L24-L28 WeakPolarHBondContact O-CD1 3Å; L24-L28 VanDerWaalsContact O-CG 3.27Å; L24-L28 WeakPolarHBondContact O-CG 3.31Å; L24-L28 PolarHBondContact O-N 3.44Å |
| 25 | R | 57.7 | Low | 54.4 | Low | 187 Ų | 187 | 121.1 Ų | 121.1 | 71% | 0.706 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.6 | -37.9 | 170.7 | -83.6 | -174.7 | 174.5 | -167.8 | -0.9 | 112.5 | L21 L22 N29 | L21-R25 WeakPolarHBondContact O-CB 3.42Å; L21-R25 WeakPolarHBondContact O-CG 3.49Å; L21-R25 PolarHBondContact O-N 2.89Å; L22-R25 PolarHBondContact O-N 3.4Å; R25-N29 WeakPolarHBondContact O-CB 3.4Å; R25-N29 PolarHBondContact O-N 3.06Å |
| 26 | Y | 58.1 | Low | 53.3 | Low | 169 Ų | 169 | 125.5 Ų | 125.5 | 66% | 0.663 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -66.7 | -41.2 | 177.2 | -153.9 | -94.6 | 0 | 0 | 0 | 111.4 | L22 C23 L30 | L22-Y26 WeakPolarHBondContact O-CB 3.31Å; L22-Y26 PolarHBondContact O-N 3.43Å; C23-Y26 PolarHBondContact O-N 3.37Å; Y26-L30 HydrophobicContact CD1-CD1 3.91Å; Y26-L30 HydrophobicContact CE1-CD1 3.75Å; Y26-L30 WeakPolarHBondContact O-CD1 3.27Å; Y26-L30 PolarHBondContact O-N 3.07Å |
| 27 | H | 55.2 | Low | 52.1 | Low | 138 Ų | 138 | 127.2 Ų | 127.2 | 64% | 0.639 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -76.7 | -32.2 | 177.4 | -80.1 | -63.6 | 0 | 0 | 0 | 114 | C23 L24 N29 L30 | C23-H27 PolarHBondContact O-CD2 3.42Å; C23-H27 PolarHBondContact O-N 3.09Å; L24-H27 PolarHBondContact O-N 3.38Å; H27-N29 VanDerWaalsContact C-N 3.34Å; H27-L30 CarbonylContact O-C 3.59Å; H27-L30 PolarHBondContact O-N 3.14Å |
| 28 | L | 54.1 | Low | 51 | Low | 123 Ų | 123 | 127.9 Ų | 127.9 | 64% | 0.644 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -70.8 | -29.2 | 172.7 | -76.1 | 163.3 | 0 | 0 | 0 | 112.4 | L24 L30 | L24-L28 HydrophobicContact CD2-CD1 4.17Å; L24-L28 HydrophobicContact CG-CD1 4.04Å; L24-L28 VanDerWaalsContact O-CB 3.26Å; L24-L28 WeakPolarHBondContact O-CB 3.34Å; L24-L28 WeakPolarHBondContact O-CD1 3Å; L24-L28 VanDerWaalsContact O-CG 3.27Å; L24-L28 WeakPolarHBondContact O-CG 3.31Å; L24-L28 PolarHBondContact O-N 3.44Å; L28-L30 VanDerWaalsContact C-N 3.31Å |
| 29 | N | 48.5 | Very low | 50 | Low | 145 Ų | 145 | 130.5 Ų | 130.5 | 78% | 0.775 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -8.4 | 171.6 | -83.5 | -20.8 | 0 | 0 | 0 | 113.8 | R25 H27 | R25-N29 WeakPolarHBondContact O-CB 3.4Å; R25-N29 PolarHBondContact O-N 3.06Å; H27-N29 VanDerWaalsContact C-N 3.34Å |
| 30 | L | 45.2 | Very low | 49.2 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 61% | 0.613 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 40.5 | 172.2 | -100.9 | 108 | 0 | 0 | 0 | 111.4 | Y26 H27 L28 | Y26-L30 HydrophobicContact CD1-CD1 3.91Å; Y26-L30 HydrophobicContact CE1-CD1 3.75Å; Y26-L30 WeakPolarHBondContact O-CD1 3.27Å; Y26-L30 PolarHBondContact O-N 3.07Å; H27-L30 CarbonylContact O-C 3.59Å; H27-L30 PolarHBondContact O-N 3.14Å; L28-L30 VanDerWaalsContact C-N 3.31Å |
| 31 | S | 42.1 | Very low | 48.2 | Very low | 86 Ų | 86 | 138.9 Ų | 138.9 | 60% | 0.601 | 70% | 0.701 | S | S | * | * | trans | -94.2 | 116.4 | 160.1 | -172.4 | 0 | 0 | 0 | 0 | 107.9 | Q33 | S31-Q33 PolarHBondContact O-N 3.18Š| ||
| 32 | P | 40.2 | Very low | 47.6 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | trans | -71 | 100.4 | 174.2 | 19.9 | -14.4 | 0 | 0 | 0 | 107.9 | R34 | P32-R34 PolarHBondContact O-N 2.86Š| ||
| 33 | Q | 38.5 | Very low | 47.3 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | -61.8 | 108 | 156.6 | -85.1 | -173.2 | -35.8 | 0 | 0 | 106.3 | S31 V35 | S31-Q33 PolarHBondContact O-N 3.18Å; Q33-V35 HydrophobicContact CB-CG2 4.39Å; Q33-V35 PolarHBondContact O-N 3Å | ||
| 34 | R | 39.2 | Very low | 47 | Very low | 239 Ų | 239 | 144.8 Ų | 144.8 | 90% | 0.902 | 74% | 0.738 | S | S | * | * | trans | -64.5 | 81 | 163.6 | -177.4 | -178.6 | -81.4 | 177.8 | -5.7 | 107 | P32 Q36 | P32-R34 PolarHBondContact O-N 2.86Å; R34-Q36 PolarHBondContact O-N 3.26Å | ||
| 35 | V | 35.4 | Very low | 46.9 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 61% | 0.606 | 75% | 0.746 | S | S | * | * | trans | -70.5 | 117.7 | 158.9 | -179.9 | 0 | 0 | 0 | 0 | 104.6 | Q33 E37 | Q33-V35 HydrophobicContact CB-CG2 4.39Å; Q33-V35 PolarHBondContact O-N 3Å; V35-E37 HydrophobicContact CG1-CG 4.29Å; V35-E37 PolarHBondContact O-N 3.22Å | ||
| 36 | Q | 38.2 | Very low | 47.2 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 84% | 0.841 | 75% | 0.752 | S | S | * | * | trans | -73.3 | 78.7 | 173.8 | -160.6 | 162.4 | -13.4 | 0 | 0 | 106.4 | R34 T38 | R34-Q36 PolarHBondContact O-N 3.26Å; Q36-T38 PolarHBondContact O-N 2.79Å; Q36-T38 VanDerWaalsContact O-N 3.11Å | ||
| 37 | E | 38.8 | Very low | 47.4 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 78% | 0.78 | 75% | 0.747 | S | S | * | * | trans | -62.8 | 108.9 | 165.1 | -77.5 | -179 | 169.5 | 0 | 0 | 106.5 | V35 | V35-E37 HydrophobicContact CG1-CG 4.29Å; V35-E37 PolarHBondContact O-N 3.22Å | ||
| 38 | T | 41.8 | Very low | 48.1 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 72% | 0.724 | 75% | 0.745 | S | S | * | * | trans | -42.5 | 131.6 | 154.5 | 11.9 | 0 | 0 | 0 | 0 | 107.7 | Q36 E40 | Q36-T38 PolarHBondContact O-N 2.79Å; Q36-T38 VanDerWaalsContact O-N 3.11Å; T38-E40 VanDerWaalsContact C-N 3.29Å; T38-E40 PolarHBondContact O-N 3.03Å | ||
| 39 | P | 41.9 | Very low | 49.4 | Very low | 124 Ų | 124 | 133.3 Ų | 133.3 | 81% | 0.805 | 75% | 0.747 | S | S | * | * | trans | -64.1 | 97.3 | 177.4 | 26.1 | -31.3 | 0 | 0 | 0 | 107.5 | L41 | P39-L41 VanDerWaalsContact C-N 3.29Å; P39-L41 PolarHBondContact O-N 2.81Å | ||
| 40 | E | 46.3 | Very low | 51.3 | Low | 184 Ų | 184 | 132.1 Ų | 132.1 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | -60.1 | 105.9 | 158.7 | -84.5 | -167.7 | 161 | 0 | 0 | 104.9 | T38 S42 | T38-E40 VanDerWaalsContact C-N 3.29Å; T38-E40 PolarHBondContact O-N 3.03Å; E40-S42 VanDerWaalsContact C-N 3.26Å; E40-S42 PolarHBondContact O-N 3.31Å | ||
| 41 | L | 45.4 | Very low | 53.7 | Low | 158 Ų | 158 | 127 Ų | 127 | 83% | 0.827 | 71% | 0.71 | S | S | * | * | trans | -53.1 | 98.9 | 169.2 | -166.2 | 80.1 | 0 | 0 | 0 | 105.7 | P39 Q43 | P39-L41 VanDerWaalsContact C-N 3.29Å; P39-L41 PolarHBondContact O-N 2.81Å; L41-Q43 PolarHBondContact O-N 3.23Å | ||
| 42 | S | 50.7 | Low | 56.2 | Low | 112 Ų | 112 | 126.2 Ų | 126.2 | 78% | 0.783 | 70% | 0.697 | S | S | * | * | trans | -53.1 | 106.9 | 174.4 | 19.8 | 0 | 0 | 0 | 0 | 106.1 | E40 P44 | E40-S42 VanDerWaalsContact C-N 3.26Å; E40-S42 PolarHBondContact O-N 3.31Å; S42-P44 VanDerWaalsContact O-N 3.14Å | ||
| 43 | Q | 56.4 | Low | 58.9 | Low | 178 Ų | 178 | 123 Ų | 123 | 83% | 0.832 | 67% | 0.672 | S | S | * | * | trans | -55.7 | 126.5 | 177.2 | -73.6 | -165.3 | -34.2 | 0 | 0 | 106 | L41 S45 | L41-Q43 PolarHBondContact O-N 3.23Å; Q43-S45 PolarHBondContact O-N 3.44Å; Q43-S45 VanDerWaalsContact O-N 3.11Å | ||
| 44 | P | 52.5 | Low | 61.7 | Low | 116 Ų | 116 | 120.3 Ų | 120.3 | 75% | 0.753 | 66% | 0.66 | S | S | * | * | trans | -54.3 | 128 | 175.5 | 20.8 | -29.4 | 0 | 0 | 0 | 106.8 | S42 | S42-P44 VanDerWaalsContact O-N 3.14Š| ||
| 45 | S | 59.2 | Low | 64.4 | Low | 106 Ų | 106 | 110.1 Ų | 110.1 | 74% | 0.741 | 62% | 0.623 | S | S | * | * | trans | -41.4 | 129.7 | 171.8 | -56.6 | 0 | 0 | 0 | 0 | 107.7 | Q43 G47 | Q43-S45 PolarHBondContact O-N 3.44Å; Q43-S45 VanDerWaalsContact O-N 3.11Å; S45-G47 PolarHBondContact O-N 3.26Å | ||
| 46 | P | 63.1 | Low | 67.5 | Low | 128 Ų | 128 | 105.3 Ų | 105.3 | 83% | 0.831 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 123.8 | 179.4 | -13.6 | 17.3 | 0 | 0 | 0 | 107.1 | ||
| 47 | G | 63.6 | Low | 70.3 | Confident | 54 Ų | 54 | 96.8 Ų | 96.8 | 56% | 0.557 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 162.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | S45 | S45-G47 PolarHBondContact O-N 3.26Š|
| 48 | P | 70.1 | Confident | 73.2 | Confident | 91 Ų | 91 | 88.9 Ų | 88.9 | 59% | 0.591 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -49.5 | 138.1 | 177.9 | -23.7 | 33.3 | 0 | 0 | 0 | 110 | E50 L161 | P48-E50 PolarHBondContact O-N 3.31Å; P48-L161 HydrophobicContact CB-CD1 3.64Å; P48-L161 HydrophobicContact CG-CD1 3.57Å |
| 49 | P | 79.3 | Confident | 75.9 | Confident | 105 Ų | 105 | 83.2 Ų | 83.2 | 68% | 0.682 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 135.9 | -176.7 | 18.4 | -29.5 | 0 | 0 | 0 | 110.6 | L51 R136 | P49-L51 PolarHBondContact O-N 3.13Å; P49-R136 PolarHBondContact O-NH1 3.03Å; P49-R136 VanDerWaalsContact O-NH1 3.17Å |
| 50 | E | 89.5 | Confident | 78.6 | Confident | 121 Ų | 121 | 77.3 Ų | 77.3 | 57% | 0.565 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 130.8 | 179.3 | -173.5 | -173.8 | 179.1 | 0 | 0 | 109.3 | P48 Q52 R157 | P48-E50 PolarHBondContact O-N 3.31Å; E50-Q52 WeakPolarHBondContact O-CG 3.48Å; E50-Q52 PolarHBondContact O-N 3.45Å; E50-Q52 PolarHBondContact O-NE2 2.96Å; E50-R157 IonicContact OE1-CZ 3.03Å; E50-R157 IonicContact OE1-NE 3.61Å; E50-R157 PolarHBondContact OE1-NE 3.25Å; E50-R157 IonicContact OE1-NH1 3.92Å; E50-R157 PolarHBondContact OE1-NH1 3.13Å; E50-R157 IonicContact OE1-NH2 3.53Å |
| 51 | L | 94.8 | Very high | 81.1 | Confident | 9 Ų | 9 | 69 Ų | 69 | 5% | 0.047 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 126.7 | -179.6 | -178 | 72.8 | 0 | 0 | 0 | 110.7 | P49 D55 W137 L153 L156 R157 | P49-L51 PolarHBondContact O-N 3.13Å; L51-D55 WeakPolarHBondContact CA-OD2 3.36Å; L51-D55 HydrophobicContact CD1-CB 3.43Å; L51-D55 VanDerWaalsContact CD1-CB 3.43Å; L51-D55 HydrophobicContact CG-CB 4.47Å; L51-W137 VanDerWaalsContact CD1-CD1 3.44Å; L51-L153 HydrophobicContact CD2-CD1 4.09Å; L51-L153 HydrophobicContact CG-CD1 3.97Å; L51-L156 HydrophobicContact CD2-CB 3.51Å; L51-R157 HydrophobicContact CB-CG 3.94Å; L51-R157 HydrophobicContact CD2-CG 4.17Å; L51-R157 PolarHBondContact O-NE 3.34Å; L51-R157 PolarHBondContact O-NH2 2.99Å |
| 52 | Q | 96.3 | Very high | 83.7 | Confident | 70 Ų | 70 | 61.7 Ų | 61.7 | 33% | 0.327 | 37% | 0.367 | S | S | . | . | trans | -116.2 | 171.5 | 175.6 | -59.3 | -56.9 | -32.5 | 0 | 0 | 111.2 | E50 H54 D55 R157 | E50-Q52 WeakPolarHBondContact O-CG 3.48Å; E50-Q52 PolarHBondContact O-N 3.45Å; E50-Q52 PolarHBondContact O-NE2 2.96Å; Q52-H54 VanDerWaalsContact C-N 3.26Å; Q52-H54 VanDerWaalsContact CB-CE1 3.44Å; Q52-H54 WeakPolarHBondContact CB-CE1 3.37Å; Q52-H54 PolarHBondContact O-N 3.46Å; Q52-D55 PolarHBondContact N-OD2 2.89Å; Q52-D55 VanDerWaalsContact O-CB 3.31Å; Q52-D55 WeakPolarHBondContact O-CB 3.4Å; Q52-D55 PolarHBondContact O-N 3.33Å; Q52-D55 VanDerWaalsContact O-N 3.1Å; Q52-R157 VanDerWaalsContact OE1-NH2 3.09Å | ||
| 53 | L | 95.8 | Very high | 85.9 | Confident | 50 Ų | 50 | 57.4 Ų | 57.4 | 26% | 0.262 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -60 | -35.3 | 176.8 | -79.1 | 174.5 | 0 | 0 | 0 | 112.8 | D55 V56 Q85 P149 L153 | L53-D55 PolarHBondContact O-N 2.89Å; L53-V56 WeakPolarHBondContact O-CB 3.41Å; L53-V56 PolarHBondContact O-N 3.05Å; L53-Q85 HydrophobicContact CB-CG 4.48Å; L53-Q85 WeakPolarHBondContact O-CG 3.18Å; L53-P149 HydrophobicContact CD1-CB 4.12Å; L53-P149 HydrophobicContact CD2-CB 3.86Å; L53-L153 HydrophobicContact CD2-CB 4.16Å; L53-L153 HydrophobicContact CG-CD2 4.17Å |
| 54 | H | 96.8 | Very high | 87.9 | Confident | 117 Ų | 117 | 57 Ų | 57 | 54% | 0.542 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -64.2 | -13 | 178.2 | 64.9 | -110.5 | 0 | 0 | 0 | 113.8 | Q52 V56 L135 | Q52-H54 VanDerWaalsContact C-N 3.26Å; Q52-H54 VanDerWaalsContact CB-CE1 3.44Å; Q52-H54 WeakPolarHBondContact CB-CE1 3.37Å; Q52-H54 PolarHBondContact O-N 3.46Å; H54-V56 VanDerWaalsContact C-N 3.29Å; H54-L135 VanDerWaalsContact O-CD2 3.25Å; H54-L135 WeakPolarHBondContact O-CD2 3.45Å |
| 55 | D | 97.4 | Very high | 90 | Very high | 24 Ų | 24 | 54.7 Ų | 54.7 | 13% | 0.128 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -83.4 | -4.5 | 173.5 | -67.1 | -52 | 0 | 0 | 0 | 113.3 | L51 Q52 L53 R136 W137 | L51-D55 WeakPolarHBondContact CA-OD2 3.36Å; L51-D55 HydrophobicContact CD1-CB 3.43Å; L51-D55 VanDerWaalsContact CD1-CB 3.43Å; L51-D55 HydrophobicContact CG-CB 4.47Å; Q52-D55 PolarHBondContact N-OD2 2.89Å; Q52-D55 VanDerWaalsContact O-CB 3.31Å; Q52-D55 WeakPolarHBondContact O-CB 3.4Å; Q52-D55 PolarHBondContact O-N 3.33Å; Q52-D55 VanDerWaalsContact O-N 3.1Å; L53-D55 PolarHBondContact O-N 2.89Å; D55-R136 HydrophobicContact CB-CB 4.18Å; D55-R136 HydrophobicContact CB-CG 4.3Å; D55-R136 PolarHBondContact O-N 3.25Å; D55-R136 WeakPolarHBondContact OD1-CD 3.41Å; D55-R136 IonicContact OD2-NH1 3.62Å; D55-W137 PolarHBondContact O-N 2.9Å |
| 56 | V | 98.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.2 | -173.4 | -172.4 | 0 | 0 | 0 | 0 | 110.1 | L53 H54 I58 Q85 W137 L152 L156 | L53-V56 WeakPolarHBondContact O-CB 3.41Å; L53-V56 PolarHBondContact O-N 3.05Å; H54-V56 VanDerWaalsContact C-N 3.29Å; V56-I58 HydrophobicContact CG1-CG1 4.03Å; V56-Q85 VanDerWaalsContact O-CB 3.28Å; V56-Q85 WeakPolarHBondContact O-CB 3.45Å; V56-Q85 WeakPolarHBondContact O-CG 3.48Å; V56-W137 HydrophobicContact CG1-CB 4.36Å; V56-W137 HydrophobicContact CG2-CB 4.35Å; V56-L152 HydrophobicContact CG1-CD2 4.17Å; V56-L156 HydrophobicContact CG1-CD1 4.26Å; V56-L156 HydrophobicContact CG2-CD1 3.91Å |
| 57 | F | 98.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 118.2 | 170.4 | -171.8 | -82.4 | 0 | 0 | 0 | 108.9 | A59 F87 F89 T129 F130 L135 W137 F138 C139 | F57-A59 HydrophobicContact CD1-CB 4.39Å; F57-A59 HydrophobicContact CE1-CB 3.98Å; F57-F87 AromaticContact CD2-CD2 3.62Å; F57-F87 HydrophobicContact CD2-CD2 3.62Å; F57-F87 AromaticContact CD2-CE2 3.63Å; F57-F87 HydrophobicContact CD2-CE2 3.63Å; F57-F87 HydrophobicContact CD2-CG 4.42Å; F57-F87 HydrophobicContact CD2-CZ 4.41Å; F57-F87 HydrophobicContact CE1-CB 4.16Å; F57-F87 HydrophobicContact CE1-CD2 4.2Å; F57-F87 HydrophobicContact CE1-CG 4.35Å; F57-F87 HydrophobicContact CE2-CB 4.23Å; F57-F87 HydrophobicContact CE2-CD1 4.05Å; F57-F87 AromaticContact CE2-CD2 3.18Å; F57-F87 HydrophobicContact CE2-CD2 3.18Å; F57-F87 HydrophobicContact CE2-CE1 4.21Å; F57-F87 AromaticContact CE2-CE2 3.39Å; F57-F87 HydrophobicContact CE2-CE2 3.39Å; F57-F87 AromaticContact CE2-CG 3.55Å; F57-F87 HydrophobicContact CE2-CG 3.55Å; F57-F87 AromaticContact CE2-CZ 3.91Å; F57-F87 HydrophobicContact CE2-CZ 3.91Å; F57-F87 HydrophobicContact CG-CD2 4.29Å; F57-F87 HydrophobicContact CZ-CB 3.66Å; F57-F87 HydrophobicContact CZ-CD1 4.17Å; F57-F87 AromaticContact CZ-CD2 3.51Å; F57-F87 HydrophobicContact CZ-CD2 3.51Å; F57-F87 HydrophobicContact CZ-CE2 4.19Å; F57-F87 AromaticContact CZ-CG 3.5Å; F57-F87 HydrophobicContact CZ-CG 3.5Å; F57-F89 HydrophobicContact CE1-CE2 4.14Å; F57-F89 HydrophobicContact CE1-CZ 4.31Å; F57-F89 HydrophobicContact CZ-CE2 4.18Å; F57-F89 HydrophobicContact CZ-CZ 4.04Å; F57-T129 HydrophobicContact CE2-CG2 4.01Å; F57-T129 HydrophobicContact CZ-CG2 3.72Å; F57-F130 HydrophobicContact CB-CD2 3.59Å; F57-F130 HydrophobicContact CB-CE2 4.17Å; F57-F130 HydrophobicContact CD1-CB 4.02Å; F57-F130 HydrophobicContact CD1-CD2 4.31Å; F57-F130 HydrophobicContact CD2-CD2 4.49Å; F57-F130 HydrophobicContact CE1-CB 4.2Å; F57-F130 HydrophobicContact CG-CB 4.26Å; F57-F130 AromaticContact CG-CD2 3.91Å; F57-F130 HydrophobicContact CG-CD2 3.91Å; F57-L135 HydrophobicContact CB-CB 4.33Å; F57-L135 HydrophobicContact CB-CD1 3.95Å; F57-L135 HydrophobicContact CD2-CD1 4.22Å; F57-W137 WeakPolarHBondContact CB-O 3.19Å; F57-W137 PolarHBondContact N-O 2.85Å; F57-F138 AromaticContact CD1-CD2 3.79Å; F57-F138 HydrophobicContact CD1-CD2 3.79Å; F57-F138 HydrophobicContact CD1-CE2 4.15Å; F57-F138 HydrophobicContact CE1-CD2 4.33Å; F57-F138 HydrophobicContact CE1-CE2 4.28Å; F57-F138 CarbonylContact O-C 3.57Å; F57-C139 PolarHBondContact O-N 3.42Å |
| 58 | I | 98.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 114.1 | 177.4 | -54.9 | 172.8 | 0 | 0 | 0 | 108.5 | V56 W78 T82 Q85 T86 F87 C139 V141 V147 L152 | V56-I58 HydrophobicContact CG1-CG1 4.03Å; I58-W78 HydrophobicContact CD1-CZ3 4.44Å; I58-W78 HydrophobicContact CG2-CH2 3.88Å; I58-W78 HydrophobicContact CG2-CZ3 4.03Å; I58-T82 HydrophobicContact CD1-CG2 4.38Å; I58-Q85 HydrophobicContact CD1-CB 4.37Å; I58-Q85 HydrophobicContact CG1-CB 4.5Å; I58-Q85 PolarHBondContact N-O 3.02Å; I58-T86 CarbonylContact O-C 3.49Å; I58-T86 WeakPolarHBondContact O-CA 3.31Å; I58-F87 PolarHBondContact O-N 2.82Å; I58-C139 CarbonylContact C-O 3.42Å; I58-C139 WeakPolarHBondContact CA-O 3.32Å; I58-V141 HydrophobicContact CG2-CG2 4.22Å; I58-V147 HydrophobicContact CD1-CG1 4.48Å; I58-L152 HydrophobicContact CD1-CD2 4.24Å |
| 59 | A | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 125 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | F57 F87 F89 E126 F138 C139 V141 | F57-A59 HydrophobicContact CD1-CB 4.39Å; F57-A59 HydrophobicContact CE1-CB 3.98Å; A59-F87 WeakPolarHBondContact CA-O 3.49Å; A59-F89 HydrophobicContact CB-CD2 4.18Å; A59-F89 HydrophobicContact CB-CE2 3.92Å; A59-E126 HydrophobicContact CB-CB 4.06Å; A59-E126 HydrophobicContact CB-CG 3.89Å; A59-E126 VanDerWaalsContact CB-OE2 3.28Å; A59-E126 WeakPolarHBondContact CB-OE2 3.42Å; A59-F138 HydrophobicContact CB-CE2 3.64Å; A59-F138 HydrophobicContact CB-CZ 4.09Å; A59-C139 PolarHBondContact N-O 3.06Å; A59-V141 PolarHBondContact O-N 3.34Å |
| 60 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 116.3 | 172 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | L71 L74 W78 T86 F87 V88 F89 V141 D143 | V60-L71 HydrophobicContact CG1-CD1 4.31Å; V60-L74 HydrophobicContact CG1-CD1 4.18Å; V60-W78 HydrophobicContact CG2-CH2 3.51Å; V60-W78 HydrophobicContact CG2-CZ2 3.77Å; V60-T86 HydrophobicContact CG2-CG2 3.66Å; V60-F87 PolarHBondContact N-O 2.67Å; V60-V88 HydrophobicContact CB-CG2 4.29Å; V60-V88 WeakPolarHBondContact O-CA 3.29Å; V60-F89 PolarHBondContact O-N 2.68Å; V60-V141 WeakPolarHBondContact CA-O 3.33Å; V60-V141 HydrophobicContact CG2-CG2 3.84Å; V60-D143 HydrophobicContact CG1-CB 4.37Å |
| 61 | K | 98.8 | Very high | 97.7 | Very high | 9 Ų | 9 | 47 Ų | 47 | 4% | 0.039 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 129 | 173.7 | -170.4 | -174.9 | -72.5 | 98 | 0 | 110.1 | L119 K122 E126 H140 V141 D143 D231 | K61-L119 HydrophobicContact CD-CD2 3.93Å; K61-K122 HydrophobicContact CD-CB 4.15Å; K61-K122 HydrophobicContact CD-CD 4.31Å; K61-K122 HydrophobicContact CG-CB 4.21Å; K61-K122 HydrophobicContact CG-CD 3.93Å; K61-E126 WeakPolarHBondContact CB-OE1 3.34Å; K61-E126 WeakPolarHBondContact CE-OE1 3.38Å; K61-E126 IonicContact NZ-OE1 2.69Å; K61-E126 PolarHBondContact NZ-OE1 2.83Å; K61-H140 PolarHBondContact NZ-CE1 3.37Å; K61-V141 PolarHBondContact N-O 3.21Å; K61-D143 WeakPolarHBondContact O-CB 3.42Å; K61-D143 PolarHBondContact O-N 3.17Å; K61-D143 VanDerWaalsContact O-N 3.16Å; K61-D231 WeakPolarHBondContact CE-OD2 3.31Å; K61-D231 IonicContact NZ-OD2 2.72Å; K61-D231 PolarHBondContact NZ-OD2 3.34Å |
| 62 | T | 98.6 | Very high | 97.8 | Very high | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | trans | -144.9 | -179.9 | 174.8 | -165.5 | 0 | 0 | 0 | 0 | 111.7 | L71 V88 F89 K122 D143 | T62-L71 HydrophobicContact CG2-CD2 4.33Å; T62-V88 HydrophobicContact CG2-CG1 3.7Å; T62-F89 PolarHBondContact N-O 3.04Å; T62-K122 WeakPolarHBondContact O-CE 3.43Å; T62-D143 WeakPolarHBondContact CA-OD2 3.36Å; T62-D143 WeakPolarHBondContact CB-OD2 3.48Å; T62-D143 PolarHBondContact OG1-OD2 3.28Å | ||
| 63 | T | 98.3 | Very high | 97.9 | Very high | 21 Ų | 21 | 48.2 Ų | 48.2 | 13% | 0.129 | 23% | 0.226 | C | C | . | . | trans | -138 | 160.4 | 172.7 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | A65 F66 H67 D91 | T63-A65 HydrophobicContact CG2-CB 4.1Å; T63-A65 PolarHBondContact O-N 2.89Å; T63-F66 HydrophobicContact CG2-CD2 3.54Å; T63-F66 HydrophobicContact CG2-CE2 4.01Å; T63-F66 HydrophobicContact CG2-CG 4.27Å; T63-F66 PolarHBondContact O-N 2.78Å; T63-H67 PolarHBondContact O-CD2 2.98Å; T63-H67 PolarHBondContact O-N 2.97Å; T63-D91 VanDerWaalsContact CA-OD2 3.22Å; T63-D91 WeakPolarHBondContact CA-OD2 3.19Å; T63-D91 WeakPolarHBondContact CB-OD2 3.17Å; T63-D91 VanDerWaalsContact OG1-CG 3.28Å; T63-D91 PolarHBondContact OG1-OD1 3.46Å; T63-D91 PolarHBondContact OG1-OD2 3.09Å | ||
| 64 | R | 97.6 | Very high | 98.1 | Very high | 171 Ų | 171 | 45.9 Ų | 45.9 | 65% | 0.645 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -46.4 | -39.4 | 176.8 | -171.7 | -175.4 | 175.8 | -177.8 | -2.9 | 113.8 | F66 H67 D91 | R64-F66 PolarHBondContact O-N 3.35Å; R64-F66 VanDerWaalsContact O-N 3.15Å; R64-H67 PolarHBondContact O-N 3.34Å; R64-D91 PolarHBondContact N-OD1 3.4Å; R64-D91 VanDerWaalsContact N-OD1 3.11Å |
| 65 | A | 97.6 | Very high | 98.2 | Very high | 67 Ų | 67 | 40.8 Ų | 40.8 | 55% | 0.554 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -61.3 | -23.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T63 | T63-A65 HydrophobicContact CG2-CB 4.1Å; T63-A65 PolarHBondContact O-N 2.89Å |
| 66 | F | 98.2 | Very high | 98.2 | Very high | 59 Ų | 59 | 42.1 Ų | 42.1 | 26% | 0.259 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -112.3 | 4.8 | -174.8 | -63.2 | -44 | 0 | 0 | 0 | 114.8 | T63 R64 R68 L69 R70 L71 D143 | T63-F66 HydrophobicContact CG2-CD2 3.54Å; T63-F66 HydrophobicContact CG2-CE2 4.01Å; T63-F66 HydrophobicContact CG2-CG 4.27Å; T63-F66 PolarHBondContact O-N 2.78Å; R64-F66 PolarHBondContact O-N 3.35Å; R64-F66 VanDerWaalsContact O-N 3.15Å; F66-R68 VanDerWaalsContact C-N 3.33Å; F66-R68 PolarHBondContact O-N 3.44Å; F66-L69 HydrophobicContact CD1-CB 4.43Å; F66-L69 HydrophobicContact CD1-CD1 4.4Å; F66-L69 PolarHBondContact O-N 2.93Å; F66-R70 HydrophobicContact CB-CB 4.11Å; F66-R70 HydrophobicContact CB-CG 3.9Å; F66-R70 HydrophobicContact CD1-CG 4Å; F66-R70 HydrophobicContact CG-CG 4.05Å; F66-R70 PolarHBondContact O-N 3.2Å; F66-L71 PolarHBondContact O-N 2.92Å; F66-D143 VanDerWaalsContact CB-OD2 3.28Å; F66-D143 WeakPolarHBondContact CB-OD2 3.46Å; F66-D143 WeakPolarHBondContact CD2-OD2 3.26Å |
| 67 | H | 98.4 | Very high | 98.2 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 2% | 0.023 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -51.3 | -50.3 | 175.9 | -72.4 | -176.7 | 0 | 0 | 0 | 112.6 | T63 R64 L71 E72 T90 S92 L97 | T63-H67 PolarHBondContact O-CD2 2.98Å; T63-H67 PolarHBondContact O-N 2.97Å; R64-H67 PolarHBondContact O-N 3.34Å; H67-L71 WeakPolarHBondContact O-CB 3.34Å; H67-E72 PolarHBondContact O-N 3.3Å; H67-T90 PolarHBondContact CE1-OG1 2.63Å; H67-T90 PolarHBondContact NE2-OG1 3.36Å; H67-S92 PolarHBondContact CE1-O 3.41Å; H67-L97 HydrophobicContact CB-CD1 3.9Å |
| 68 | R | 97.1 | Very high | 98.2 | Very high | 191 Ų | 191 | 42.1 Ų | 42.1 | 72% | 0.721 | 20% | 0.197 | S | C | * | . | I | π-helix | trans | -83.3 | -44.1 | 178.1 | -62.1 | -170 | 176.8 | 177 | -2.6 | 112.9 | F66 R70 | F66-R68 VanDerWaalsContact C-N 3.33Å; F66-R68 PolarHBondContact O-N 3.44Å; R68-R70 VanDerWaalsContact C-N 3.35Å; R68-R70 PolarHBondContact O-N 2.96Å |
| 69 | L | 95.2 | Very high | 98.2 | Very high | 131 Ų | 131 | 42.2 Ų | 42.2 | 69% | 0.686 | 20% | 0.198 | S | C | * | . | I | π-helix | trans | -71.8 | -28.2 | -169 | -65.2 | 176.1 | 0 | 0 | 0 | 113.6 | F66 | F66-L69 HydrophobicContact CD1-CB 4.43Å; F66-L69 HydrophobicContact CD1-CD1 4.4Å; F66-L69 PolarHBondContact O-N 2.93Å |
| 70 | R | 98.1 | Very high | 98.1 | Very high | 56 Ų | 56 | 45.1 Ų | 45.1 | 21% | 0.211 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -128.3 | -50.3 | -175 | -53.6 | -174 | 176.2 | -161 | -9.2 | 112.1 | F66 R68 E72 L73 L74 D143 D144 | F66-R70 HydrophobicContact CB-CB 4.11Å; F66-R70 HydrophobicContact CB-CG 3.9Å; F66-R70 HydrophobicContact CD1-CG 4Å; F66-R70 HydrophobicContact CG-CG 4.05Å; F66-R70 PolarHBondContact O-N 3.2Å; R68-R70 VanDerWaalsContact C-N 3.35Å; R68-R70 PolarHBondContact O-N 2.96Å; R70-E72 PolarHBondContact O-N 3.32Å; R70-L73 WeakPolarHBondContact O-CB 3.41Å; R70-L73 PolarHBondContact O-N 3.24Å; R70-L74 PolarHBondContact O-N 2.75Å; R70-D143 HydrophobicContact CB-CB 4.34Å; R70-D143 WeakPolarHBondContact CB-O 3.37Å; R70-D143 WeakPolarHBondContact CD-OD1 3.47Å; R70-D143 IonicContact CZ-OD1 3.35Å; R70-D143 IonicContact NE-OD1 3.05Å; R70-D143 IonicContact NH1-OD1 2.64Å; R70-D143 PolarHBondContact NH1-OD1 2.78Å; R70-D144 IonicContact CZ-OD2 2.85Å; R70-D144 IonicContact NH1-OD2 2.74Å; R70-D144 PolarHBondContact NH1-OD2 3.48Å; R70-D144 IonicContact NH2-OD2 2.62Å |
| 71 | L | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -67.4 | -40 | -170.1 | -174.1 | 69.8 | 0 | 0 | 0 | 112.9 | V60 T62 F66 H67 L73 L74 L75 V88 L97 | V60-L71 HydrophobicContact CG1-CD1 4.31Å; T62-L71 HydrophobicContact CG2-CD2 4.33Å; F66-L71 PolarHBondContact O-N 2.92Å; H67-L71 WeakPolarHBondContact O-CB 3.34Å; L71-L73 VanDerWaalsContact C-N 3.25Å; L71-L73 PolarHBondContact O-N 2.91Å; L71-L74 WeakPolarHBondContact O-CB 3.45Å; L71-L74 PolarHBondContact O-N 2.68Å; L71-L75 HydrophobicContact CG-CD1 4.45Å; L71-L75 HydrophobicContact CG-CG 4.28Å; L71-L75 WeakPolarHBondContact O-CG 3.35Å; L71-L75 PolarHBondContact O-N 2.84Å; L71-V88 HydrophobicContact CD1-CG1 3.95Å; L71-V88 HydrophobicContact CD1-CG2 4.07Å; L71-V88 HydrophobicContact CD2-CG1 3.77Å; L71-L97 HydrophobicContact CD2-CD1 3.45Å; L71-L97 VanDerWaalsContact CD2-CD1 3.45Å; L71-L97 HydrophobicContact CD2-CD2 3.65Å; L71-L97 HydrophobicContact CD2-CG 4.18Å; L71-L97 HydrophobicContact CG-CD2 4.34Å |
| 72 | E | 97.6 | Very high | 98 | Very high | 84 Ų | 84 | 48.8 Ų | 48.8 | 39% | 0.393 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -54.4 | -41.7 | 175.1 | -76.5 | 179.5 | -166.9 | 0 | 0 | 112.4 | H67 R70 L74 L75 D76 | H67-E72 PolarHBondContact O-N 3.3Å; R70-E72 PolarHBondContact O-N 3.32Å; E72-L74 VanDerWaalsContact C-N 3.33Å; E72-L74 PolarHBondContact O-N 3.33Å; E72-L75 PolarHBondContact O-N 2.89Å; E72-D76 VanDerWaalsContact O-CG 3.25Å; E72-D76 PolarHBondContact O-N 3.45Å |
| 73 | L | 98.6 | Very high | 98 | Very high | 22 Ų | 22 | 53.9 Ų | 53.9 | 12% | 0.115 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 174.9 | 169 | 67.6 | 0 | 0 | 0 | 111.8 | R70 L71 D76 T77 Y276 S299 F301 R302 | R70-L73 WeakPolarHBondContact O-CB 3.41Å; R70-L73 PolarHBondContact O-N 3.24Å; L71-L73 VanDerWaalsContact C-N 3.25Å; L71-L73 PolarHBondContact O-N 2.91Å; L73-D76 PolarHBondContact O-N 3.27Å; L73-T77 HydrophobicContact CD1-CG2 4.07Å; L73-T77 WeakPolarHBondContact O-CB 3.49Å; L73-T77 WeakPolarHBondContact O-CG2 3.48Å; L73-T77 PolarHBondContact O-N 2.03Å; L73-T77 VanDerWaalsContact O-N 3.14Å; L73-T77 PolarHBondContact O-OG1 2.95Å; L73-Y276 HydrophobicContact CD2-CE1 4.45Å; L73-S299 VanDerWaalsContact CD2-OG 3.3Å; L73-S299 WeakPolarHBondContact CD2-OG 3.39Å; L73-F301 HydrophobicContact CD1-CB 4.27Å; L73-F301 HydrophobicContact CD2-CB 4.12Å; L73-F301 HydrophobicContact CD2-CD2 4.03Å; L73-F301 HydrophobicContact CD2-CG 4.43Å; L73-F301 HydrophobicContact CG-CB 4.37Å; L73-R302 HydrophobicContact CD1-CG 3.69Å |
| 74 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.1 | -41.9 | 178.5 | -53.5 | -163.6 | 0 | 0 | 0 | 111.2 | V60 R70 L71 E72 D76 T77 W78 V79 D143 N145 F301 | V60-L74 HydrophobicContact CG1-CD1 4.18Å; R70-L74 PolarHBondContact O-N 2.75Å; L71-L74 WeakPolarHBondContact O-CB 3.45Å; L71-L74 PolarHBondContact O-N 2.68Å; E72-L74 VanDerWaalsContact C-N 3.33Å; E72-L74 PolarHBondContact O-N 3.33Å; L74-D76 VanDerWaalsContact C-N 3.31Å; L74-D76 PolarHBondContact O-N 3.29Å; L74-T77 CarbonylContact O-C 3.56Å; L74-T77 PolarHBondContact O-N 2.93Å; L74-T77 VanDerWaalsContact O-N 3.15Å; L74-T77 PolarHBondContact O-OG1 3.29Å; L74-W78 HydrophobicContact CD1-CZ2 4.11Å; L74-W78 PolarHBondContact O-N 3.07Å; L74-V79 HydrophobicContact CB-CG2 3.93Å; L74-V79 WeakPolarHBondContact O-CB 3.33Å; L74-V79 WeakPolarHBondContact O-CG2 3.38Å; L74-V79 PolarHBondContact O-N 3.42Å; L74-D143 WeakPolarHBondContact CD1-O 3.48Å; L74-N145 WeakPolarHBondContact CD2-O 3.32Å; L74-F301 HydrophobicContact CD2-CD2 3.91Å; L74-F301 HydrophobicContact CD2-CE2 3.9Å |
| 75 | L | 98.6 | Very high | 98 | Very high | 11 Ų | 11 | 52.5 Ų | 52.5 | 6% | 0.058 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.6 | -35.7 | 177.3 | -62.9 | -175 | 0 | 0 | 0 | 113 | L71 E72 T77 V79 L97 R100 L101 | L71-L75 HydrophobicContact CG-CD1 4.45Å; L71-L75 HydrophobicContact CG-CG 4.28Å; L71-L75 WeakPolarHBondContact O-CG 3.35Å; L71-L75 PolarHBondContact O-N 2.84Å; E72-L75 PolarHBondContact O-N 2.89Å; L75-T77 VanDerWaalsContact C-N 3.32Å; L75-V79 HydrophobicContact CD2-CB 4.09Å; L75-V79 HydrophobicContact CD2-CG1 3.68Å; L75-V79 HydrophobicContact CD2-CG2 4.47Å; L75-L97 HydrophobicContact CD1-CD2 3.61Å; L75-R100 VanDerWaalsContact CB-CZ 3.4Å; L75-R100 HydrophobicContact CD1-CB 4.49Å; L75-R100 PolarHBondContact O-NH2 2.92Å; L75-L101 HydrophobicContact CD1-CD1 4.47Å; L75-L101 HydrophobicContact CD2-CD1 4.23Å; L75-L101 HydrophobicContact CD2-CD2 3.76Å; L75-L101 HydrophobicContact CD2-CG 4.2Å |
| 76 | D | 98.1 | Very high | 98.1 | Very high | 52 Ų | 52 | 49.3 Ų | 49.3 | 28% | 0.278 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -78.3 | -19.4 | 177.1 | -67.1 | -3.7 | 0 | 0 | 0 | 112.7 | E72 L73 L74 R100 R302 W314 | E72-D76 VanDerWaalsContact O-CG 3.25Å; E72-D76 PolarHBondContact O-N 3.45Å; L73-D76 PolarHBondContact O-N 3.27Å; L74-D76 VanDerWaalsContact C-N 3.31Å; L74-D76 PolarHBondContact O-N 3.29Å; D76-R100 IonicContact OD1-CZ 3.35Å; D76-R100 IonicContact OD1-NH1 3.13Å; D76-R100 PolarHBondContact OD1-NH1 2.99Å; D76-R100 IonicContact OD1-NH2 3.79Å; D76-R100 PolarHBondContact OD1-NH2 3.06Å; D76-R302 IonicContact OD2-NH2 3.72Å; D76-W314 WeakPolarHBondContact O-CZ2 3.13Å |
| 77 | T | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -111.2 | -176.5 | 60.5 | 0 | 0 | 0 | 0 | 111.6 | L73 L74 L75 V79 S80 R302 H305 W314 | L73-T77 HydrophobicContact CD1-CG2 4.07Å; L73-T77 WeakPolarHBondContact O-CB 3.49Å; L73-T77 WeakPolarHBondContact O-CG2 3.48Å; L73-T77 PolarHBondContact O-N 2.03Å; L73-T77 VanDerWaalsContact O-N 3.14Å; L73-T77 PolarHBondContact O-OG1 2.95Å; L74-T77 CarbonylContact O-C 3.56Å; L74-T77 PolarHBondContact O-N 2.93Å; L74-T77 VanDerWaalsContact O-N 3.15Å; L74-T77 PolarHBondContact O-OG1 3.29Å; L75-T77 VanDerWaalsContact C-N 3.32Å; T77-V79 PolarHBondContact O-N 3.31Å; T77-S80 WeakPolarHBondContact O-CB 3.45Å; T77-S80 PolarHBondContact O-N 2.99Å; T77-S80 PolarHBondContact O-OG 3.48Å; T77-R302 HydrophobicContact CG2-CG 4.39Å; T77-H305 HydrophobicContact CG2-CB 4Å; T77-H305 PolarHBondContact O-CE1 3.08Å; T77-W314 HydrophobicContact CG2-CH2 4.11Å; T77-W314 HydrophobicContact CG2-CZ2 4.24Å |
| 78 | W | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -67.7 | -32.4 | -166.7 | 69 | -96.7 | 0 | 0 | 0 | 113.6 | I58 V60 L74 S80 R81 T82 T86 V141 N145 Y146 V147 | I58-W78 HydrophobicContact CD1-CZ3 4.44Å; I58-W78 HydrophobicContact CG2-CH2 3.88Å; I58-W78 HydrophobicContact CG2-CZ3 4.03Å; V60-W78 HydrophobicContact CG2-CH2 3.51Å; V60-W78 HydrophobicContact CG2-CZ2 3.77Å; L74-W78 HydrophobicContact CD1-CZ2 4.11Å; L74-W78 PolarHBondContact O-N 3.07Å; W78-S80 PolarHBondContact O-N 3Å; W78-R81 WeakPolarHBondContact O-CB 3.24Å; W78-R81 PolarHBondContact O-N 2.74Å; W78-T82 PolarHBondContact O-N 2.87Å; W78-T86 HydrophobicContact CH2-CG2 4.11Å; W78-T86 HydrophobicContact CZ3-CG2 4.27Å; W78-V141 HydrophobicContact CH2-CG2 4.11Å; W78-V141 HydrophobicContact CZ2-CG2 4.15Å; W78-N145 PolarHBondContact NE1-O 3.23Å; W78-Y146 HydrophobicContact CB-CD1 4.21Å; W78-Y146 HydrophobicContact CB-CD2 4.22Å; W78-Y146 HydrophobicContact CB-CE1 3.88Å; W78-Y146 HydrophobicContact CB-CE2 3.94Å; W78-Y146 HydrophobicContact CB-CG 4.35Å; W78-Y146 AromaticContact CD1-CD2 3.78Å; W78-Y146 AromaticContact CD1-CG 3.92Å; W78-Y146 HydrophobicContact CG-CD2 4.36Å; W78-Y146 HydrophobicContact CG-CG 4.38Å; W78-V147 WeakPolarHBondContact CB-O 3.44Å; W78-V147 HydrophobicContact CD2-CB 3.92Å; W78-V147 HydrophobicContact CD2-CG2 4.22Å; W78-V147 HydrophobicContact CE3-CB 3.69Å; W78-V147 HydrophobicContact CE3-CG2 4.11Å; W78-V147 HydrophobicContact CH2-CB 4.29Å; W78-V147 HydrophobicContact CH2-CG2 3.78Å; W78-V147 HydrophobicContact CZ2-CG2 3.91Å; W78-V147 HydrophobicContact CZ3-CB 3.88Å; W78-V147 HydrophobicContact CZ3-CG2 3.88Å |
| 79 | V | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -66.8 | -27 | 178.6 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | L74 L75 T77 R81 T82 R83 T86 | L74-V79 HydrophobicContact CB-CG2 3.93Å; L74-V79 WeakPolarHBondContact O-CB 3.33Å; L74-V79 WeakPolarHBondContact O-CG2 3.38Å; L74-V79 PolarHBondContact O-N 3.42Å; L75-V79 HydrophobicContact CD2-CB 4.09Å; L75-V79 HydrophobicContact CD2-CG1 3.68Å; L75-V79 HydrophobicContact CD2-CG2 4.47Å; T77-V79 PolarHBondContact O-N 3.31Å; V79-R81 PolarHBondContact O-N 3.24Å; V79-R81 VanDerWaalsContact O-N 3.13Å; V79-T82 CarbonylContact O-C 3.44Å; V79-T82 PolarHBondContact O-N 2.91Å; V79-T82 VanDerWaalsContact O-N 3.13Å; V79-R83 VanDerWaalsContact O-CA 3.3Å; V79-R83 WeakPolarHBondContact O-CA 3.47Å; V79-R83 PolarHBondContact O-N 3.34Å; V79-T86 HydrophobicContact CG1-CG2 3.93Å; V79-T86 HydrophobicContact CG2-CG2 4.12Å |
| 80 | S | 97.9 | Very high | 98.4 | Very high | 61 Ų | 61 | 32.5 Ų | 32.5 | 43% | 0.427 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -60.1 | -23.5 | 172.7 | 77.4 | 0 | 0 | 0 | 0 | 113 | T77 W78 | T77-S80 WeakPolarHBondContact O-CB 3.45Å; T77-S80 PolarHBondContact O-N 2.99Å; T77-S80 PolarHBondContact O-OG 3.48Å; W78-S80 PolarHBondContact O-N 3Å |
| 81 | R | 97.9 | Very high | 98.4 | Very high | 86 Ų | 86 | 31 Ų | 31 | 33% | 0.325 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -94.5 | -12.2 | -179.8 | -51.7 | -54.3 | -173.5 | 159.1 | 3.5 | 113.3 | W78 V79 Y309 D311 T312 | W78-R81 WeakPolarHBondContact O-CB 3.24Å; W78-R81 PolarHBondContact O-N 2.74Å; V79-R81 PolarHBondContact O-N 3.24Å; V79-R81 VanDerWaalsContact O-N 3.13Å; R81-Y309 HydrophobicContact CG-CD2 4.31Å; R81-Y309 HydrophobicContact CG-CE1 4.31Å; R81-Y309 HydrophobicContact CG-CE2 4.04Å; R81-D311 IonicContact NH1-OD2 3.68Å; R81-D311 IonicContact NH2-OD2 3.72Å; R81-T312 PolarHBondContact NH2-OG1 3.15Å |
| 82 | T | 97.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -135.9 | 24.8 | -176.4 | 62.7 | 0 | 0 | 0 | 0 | 112.8 | I58 W78 V79 E84 Q85 T86 P149 | I58-T82 HydrophobicContact CD1-CG2 4.38Å; W78-T82 PolarHBondContact O-N 2.87Å; V79-T82 CarbonylContact O-C 3.44Å; V79-T82 PolarHBondContact O-N 2.91Å; V79-T82 VanDerWaalsContact O-N 3.13Å; T82-E84 PolarHBondContact O-N 3.39Å; T82-E84 VanDerWaalsContact O-N 3.1Å; T82-Q85 WeakPolarHBondContact O-CA 3.49Å; T82-Q85 PolarHBondContact O-N 2.94Å; T82-Q85 PolarHBondContact O-OE1 3.11Å; T82-T86 PolarHBondContact O-N 3.21Å; T82-T86 PolarHBondContact O-OG1 3.49Å; T82-T86 VanDerWaalsContact O-OG1 3.05Å; T82-T86 PolarHBondContact OG1-OG1 2.78Å; T82-P149 HydrophobicContact CG2-CB 3.44Å; T82-P149 VanDerWaalsContact CG2-CB 3.44Å; T82-P149 HydrophobicContact CG2-CG 3.63Å |
| 83 | R | 97.7 | Very high | 98.4 | Very high | 113 Ų | 113 | 32.7 Ų | 32.7 | 43% | 0.426 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -39.1 | -170.2 | -176.7 | -178.3 | 173 | -80.3 | -0.6 | 112.9 | V79 Q85 T86 R100 H104 | V79-R83 VanDerWaalsContact O-CA 3.3Å; V79-R83 WeakPolarHBondContact O-CA 3.47Å; V79-R83 PolarHBondContact O-N 3.34Å; R83-Q85 VanDerWaalsContact C-N 3.27Å; R83-Q85 PolarHBondContact O-N 3.28Å; R83-T86 PolarHBondContact O-N 3.37Å; R83-R100 VanDerWaalsContact CZ-O 3.31Å; R83-R100 PolarHBondContact NE-O 3.35Å; R83-R100 PolarHBondContact NH2-O 2.68Å; R83-H104 PolarHBondContact O-ND1 2.61Å |
| 84 | E | 97.6 | Very high | 98.4 | Very high | 147 Ų | 147 | 34 Ų | 34 | 69% | 0.687 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -21.8 | 179.7 | -66.5 | 178.5 | 174.7 | 0 | 0 | 113.6 | T82 H104 | T82-E84 PolarHBondContact O-N 3.39Å; T82-E84 VanDerWaalsContact O-N 3.1Å; E84-H104 PolarHBondContact O-CE1 3.31Å; E84-H104 VanDerWaalsContact O-CE1 3.3Å |
| 85 | Q | 98.5 | Very high | 98.3 | Very high | 15 Ų | 15 | 42.3 Ų | 42.3 | 7% | 0.07 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -20.4 | 179.6 | -66.9 | 73.1 | 48.4 | 0 | 0 | 112.1 | L53 V56 I58 T82 R83 | L53-Q85 HydrophobicContact CB-CG 4.48Å; L53-Q85 WeakPolarHBondContact O-CG 3.18Å; V56-Q85 VanDerWaalsContact O-CB 3.28Å; V56-Q85 WeakPolarHBondContact O-CB 3.45Å; V56-Q85 WeakPolarHBondContact O-CG 3.48Å; I58-Q85 HydrophobicContact CD1-CB 4.37Å; I58-Q85 HydrophobicContact CG1-CB 4.5Å; I58-Q85 PolarHBondContact N-O 3.02Å; T82-Q85 WeakPolarHBondContact O-CA 3.49Å; T82-Q85 PolarHBondContact O-N 2.94Å; T82-Q85 PolarHBondContact O-OE1 3.11Å; R83-Q85 VanDerWaalsContact C-N 3.27Å; R83-Q85 PolarHBondContact O-N 3.28Å |
| 86 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 127.8 | -172.7 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | I58 V60 W78 V79 T82 R83 V88 H104 | I58-T86 CarbonylContact O-C 3.49Å; I58-T86 WeakPolarHBondContact O-CA 3.31Å; V60-T86 HydrophobicContact CG2-CG2 3.66Å; W78-T86 HydrophobicContact CH2-CG2 4.11Å; W78-T86 HydrophobicContact CZ3-CG2 4.27Å; V79-T86 HydrophobicContact CG1-CG2 3.93Å; V79-T86 HydrophobicContact CG2-CG2 4.12Å; T82-T86 PolarHBondContact O-N 3.21Å; T82-T86 PolarHBondContact O-OG1 3.49Å; T82-T86 VanDerWaalsContact O-OG1 3.05Å; T82-T86 PolarHBondContact OG1-OG1 2.78Å; R83-T86 PolarHBondContact O-N 3.37Å; T86-V88 HydrophobicContact CG2-CG2 4.47Å; T86-H104 WeakPolarHBondContact O-CB 3.45Å; T86-H104 PolarHBondContact O-ND1 3.13Å |
| 87 | F | 98.9 | Very high | 98.2 | Very high | 34 Ų | 34 | 41.1 Ų | 41.1 | 15% | 0.149 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 130.6 | 172.5 | -67.5 | -101.9 | 0 | 0 | 0 | 109 | F57 I58 A59 V60 F89 H104 | F57-F87 AromaticContact CD2-CD2 3.62Å; F57-F87 HydrophobicContact CD2-CD2 3.62Å; F57-F87 AromaticContact CD2-CE2 3.63Å; F57-F87 HydrophobicContact CD2-CE2 3.63Å; F57-F87 HydrophobicContact CD2-CG 4.42Å; F57-F87 HydrophobicContact CD2-CZ 4.41Å; F57-F87 HydrophobicContact CE1-CB 4.16Å; F57-F87 HydrophobicContact CE1-CD2 4.2Å; F57-F87 HydrophobicContact CE1-CG 4.35Å; F57-F87 HydrophobicContact CE2-CB 4.23Å; F57-F87 HydrophobicContact CE2-CD1 4.05Å; F57-F87 AromaticContact CE2-CD2 3.18Å; F57-F87 HydrophobicContact CE2-CD2 3.18Å; F57-F87 HydrophobicContact CE2-CE1 4.21Å; F57-F87 AromaticContact CE2-CE2 3.39Å; F57-F87 HydrophobicContact CE2-CE2 3.39Å; F57-F87 AromaticContact CE2-CG 3.55Å; F57-F87 HydrophobicContact CE2-CG 3.55Å; F57-F87 AromaticContact CE2-CZ 3.91Å; F57-F87 HydrophobicContact CE2-CZ 3.91Å; F57-F87 HydrophobicContact CG-CD2 4.29Å; F57-F87 HydrophobicContact CZ-CB 3.66Å; F57-F87 HydrophobicContact CZ-CD1 4.17Å; F57-F87 AromaticContact CZ-CD2 3.51Å; F57-F87 HydrophobicContact CZ-CD2 3.51Å; F57-F87 HydrophobicContact CZ-CE2 4.19Å; F57-F87 AromaticContact CZ-CG 3.5Å; F57-F87 HydrophobicContact CZ-CG 3.5Å; I58-F87 PolarHBondContact O-N 2.82Å; A59-F87 WeakPolarHBondContact CA-O 3.49Å; V60-F87 PolarHBondContact N-O 2.67Å; F87-F89 HydrophobicContact CB-CE2 3.69Å; F87-F89 HydrophobicContact CB-CZ 4.23Å; F87-H104 CarbonylContact C-O 3.51Å; F87-H104 WeakPolarHBondContact CA-O 3.44Å; F87-H104 HydrophobicContact CD1-CB 4.39Å; F87-H104 AromaticContact CE1-ND1 3.84Å; F87-H104 AromaticContact CE2-CE1 3.96Å; F87-H104 AromaticContact CE2-ND1 3.87Å; F87-H104 AromaticContact CZ-CE1 3.65Å; F87-H104 AromaticContact CZ-ND1 3.75Å |
| 88 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 122.2 | -176.5 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | V60 T62 L71 T86 L101 H104 L105 V106 | V60-V88 HydrophobicContact CB-CG2 4.29Å; V60-V88 WeakPolarHBondContact O-CA 3.29Å; T62-V88 HydrophobicContact CG2-CG1 3.7Å; L71-V88 HydrophobicContact CD1-CG1 3.95Å; L71-V88 HydrophobicContact CD1-CG2 4.07Å; L71-V88 HydrophobicContact CD2-CG1 3.77Å; T86-V88 HydrophobicContact CG2-CG2 4.47Å; V88-L101 HydrophobicContact CB-CD1 4Å; V88-L101 HydrophobicContact CG2-CD1 3.68Å; V88-L101 HydrophobicContact CG2-CD2 4.41Å; V88-H104 PolarHBondContact N-O 3.49Å; V88-L105 HydrophobicContact CB-CD1 4.21Å; V88-L105 HydrophobicContact CG1-CD1 4.12Å; V88-V106 PolarHBondContact O-N 2.93Å |
| 89 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 120 | -178.5 | -66.8 | -98.3 | 0 | 0 | 0 | 110.1 | F57 A59 V60 T62 F87 V106 T108 A125 E126 T129 | F57-F89 HydrophobicContact CE1-CE2 4.14Å; F57-F89 HydrophobicContact CE1-CZ 4.31Å; F57-F89 HydrophobicContact CZ-CE2 4.18Å; F57-F89 HydrophobicContact CZ-CZ 4.04Å; A59-F89 HydrophobicContact CB-CD2 4.18Å; A59-F89 HydrophobicContact CB-CE2 3.92Å; V60-F89 PolarHBondContact O-N 2.68Å; T62-F89 PolarHBondContact N-O 3.04Å; F87-F89 HydrophobicContact CB-CE2 3.69Å; F87-F89 HydrophobicContact CB-CZ 4.23Å; F89-V106 WeakPolarHBondContact CA-O 2.99Å; F89-V106 HydrophobicContact CD1-CB 3.74Å; F89-V106 HydrophobicContact CD1-CG1 3.75Å; F89-V106 HydrophobicContact CD1-CG2 4.34Å; F89-V106 HydrophobicContact CE1-CB 3.79Å; F89-V106 HydrophobicContact CE1-CG1 3.7Å; F89-V106 HydrophobicContact CE1-CG2 3.93Å; F89-V106 HydrophobicContact CG-CB 4.3Å; F89-V106 HydrophobicContact CZ-CB 4.39Å; F89-V106 HydrophobicContact CZ-CG2 4.1Å; F89-T108 HydrophobicContact CD1-CG2 4.24Å; F89-A125 HydrophobicContact CD1-CB 4.07Å; F89-A125 HydrophobicContact CE1-CB 4.29Å; F89-A125 WeakPolarHBondContact CE1-O 3.35Å; F89-E126 HydrophobicContact CB-CG 4.15Å; F89-E126 HydrophobicContact CD1-CG 3.99Å; F89-E126 HydrophobicContact CD2-CB 4.45Å; F89-E126 HydrophobicContact CD2-CG 3.56Å; F89-E126 HydrophobicContact CE1-CG 4.3Å; F89-E126 HydrophobicContact CE2-CB 4.31Å; F89-E126 HydrophobicContact CE2-CG 3.89Å; F89-E126 HydrophobicContact CG-CG 3.61Å; F89-E126 HydrophobicContact CZ-CB 4.36Å; F89-E126 HydrophobicContact CZ-CG 4.26Å; F89-T129 HydrophobicContact CE1-CG2 4.39Å; F89-T129 WeakPolarHBondContact CE1-OG1 3.35Å; F89-T129 HydrophobicContact CZ-CG2 3.93Å |
| 90 | T | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 166.9 | -175.1 | 180 | 0 | 0 | 0 | 0 | 111.5 | H67 S92 L105 V106 V107 T108 | H67-T90 PolarHBondContact CE1-OG1 2.63Å; H67-T90 PolarHBondContact NE2-OG1 3.36Å; T90-S92 VanDerWaalsContact CG2-O 3.24Å; T90-S92 WeakPolarHBondContact CG2-O 3.49Å; T90-S92 PolarHBondContact OG1-N 3.04Å; T90-S92 PolarHBondContact OG1-O 3.39Å; T90-L105 HydrophobicContact CG2-CD1 3.76Å; T90-L105 HydrophobicContact CG2-CG 4.36Å; T90-V106 PolarHBondContact N-O 3.12Å; T90-V107 HydrophobicContact CG2-CB 4.44Å; T90-V107 HydrophobicContact CG2-CG2 3.96Å; T90-T108 WeakPolarHBondContact O-CB 3.43Å; T90-T108 PolarHBondContact O-N 2.99Å; T90-T108 PolarHBondContact O-OG1 2.61Å |
| 91 | D | 98.3 | Very high | 98.1 | Very high | 25 Ų | 25 | 54.8 Ų | 54.8 | 13% | 0.134 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -100.3 | 1.3 | 176.5 | 45.1 | 62.6 | 0 | 0 | 0 | 113.7 | T63 R64 C110 A112 K122 | T63-D91 VanDerWaalsContact CA-OD2 3.22Å; T63-D91 WeakPolarHBondContact CA-OD2 3.19Å; T63-D91 WeakPolarHBondContact CB-OD2 3.17Å; T63-D91 VanDerWaalsContact OG1-CG 3.28Å; T63-D91 PolarHBondContact OG1-OD1 3.46Å; T63-D91 PolarHBondContact OG1-OD2 3.09Å; R64-D91 PolarHBondContact N-OD1 3.4Å; R64-D91 VanDerWaalsContact N-OD1 3.11Å; D91-C110 WeakPolarHBondContact CB-O 3.34Å; D91-A112 HydrophobicContact CB-CB 4.23Å; D91-A112 WeakPolarHBondContact OD2-CA 3.36Å; D91-K122 VanDerWaalsContact OD2-CE 3.24Å; D91-K122 WeakPolarHBondContact OD2-CE 3.46Å; D91-K122 IonicContact OD2-NZ 3.18Å; D91-K122 PolarHBondContact OD2-NZ 3.41Å |
| 92 | S | 98.1 | Very high | 98.1 | Very high | 22 Ų | 22 | 51.9 Ų | 51.9 | 15% | 0.154 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -151.5 | 145 | -177.4 | -151.2 | 0 | 0 | 0 | 0 | 112.2 | H67 T90 | H67-S92 PolarHBondContact CE1-O 3.41Å; T90-S92 VanDerWaalsContact CG2-O 3.24Å; T90-S92 WeakPolarHBondContact CG2-O 3.49Å; T90-S92 PolarHBondContact OG1-N 3.04Å; T90-S92 PolarHBondContact OG1-O 3.39Å |
| 93 | P | 97.8 | Very high | 98 | Very high | 96 Ų | 96 | 56.7 Ų | 56.7 | 62% | 0.623 | 29% | 0.293 | S | S | * | . | trans | -70.9 | 148.2 | 174.2 | 30.6 | -35.2 | 0 | 0 | 0 | 111.4 | V107 | P93-V107 HydrophobicContact CB-CG2 4.31Š| ||
| 94 | D | 98.4 | Very high | 98.1 | Very high | 50 Ų | 50 | 52.6 Ų | 52.6 | 27% | 0.267 | 28% | 0.278 | S | S | . | . | trans | -141.8 | 127.8 | 170.5 | -178.5 | -73.6 | 0 | 0 | 0 | 108.9 | G96 L97 Q98 | D94-G96 WeakPolarHBondContact OD1-CA 3.42Å; D94-G96 PolarHBondContact OD1-N 2.92Å; D94-L97 HydrophobicContact CB-CB 4.01Å; D94-L97 HydrophobicContact CB-CD1 3.82Å; D94-L97 HydrophobicContact CB-CG 3.91Å; D94-L97 PolarHBondContact OD1-N 3.44Å; D94-Q98 WeakPolarHBondContact O-CB 3.29Å; D94-Q98 PolarHBondContact O-N 2.94Å | ||
| 95 | K | 97.8 | Very high | 98.1 | Very high | 175 Ų | 175 | 46.1 Ų | 46.1 | 76% | 0.761 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -66.7 | -41.7 | -174.6 | -69.3 | -174.9 | 177.6 | -177 | 0 | 112.4 | Q98 E99 | K95-Q98 PolarHBondContact O-N 2.93Å; K95-E99 WeakPolarHBondContact O-CG 3.2Å; K95-E99 PolarHBondContact O-N 3.37Å |
| 96 | G | 97.2 | Very high | 98.1 | Very high | 33 Ų | 33 | 47.1 Ų | 47.1 | 34% | 0.34 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -68.5 | -40.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D94 E99 R100 | D94-G96 WeakPolarHBondContact OD1-CA 3.42Å; D94-G96 PolarHBondContact OD1-N 2.92Å; G96-E99 PolarHBondContact O-N 3.03Å; G96-R100 WeakPolarHBondContact O-CG 3.47Å; G96-R100 PolarHBondContact O-N 2.7Å; G96-R100 VanDerWaalsContact O-N 3.09Å |
| 97 | L | 97.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 172.3 | -61.2 | -178.6 | 0 | 0 | 0 | 111.6 | H67 L71 L75 D94 E99 R100 L101 L105 | H67-L97 HydrophobicContact CB-CD1 3.9Å; L71-L97 HydrophobicContact CD2-CD1 3.45Å; L71-L97 VanDerWaalsContact CD2-CD1 3.45Å; L71-L97 HydrophobicContact CD2-CD2 3.65Å; L71-L97 HydrophobicContact CD2-CG 4.18Å; L71-L97 HydrophobicContact CG-CD2 4.34Å; L75-L97 HydrophobicContact CD1-CD2 3.61Å; D94-L97 HydrophobicContact CB-CB 4.01Å; D94-L97 HydrophobicContact CB-CD1 3.82Å; D94-L97 HydrophobicContact CB-CG 3.91Å; D94-L97 PolarHBondContact OD1-N 3.44Å; L97-E99 VanDerWaalsContact C-N 3.31Å; L97-E99 PolarHBondContact O-N 2.98Å; L97-R100 PolarHBondContact O-N 3.25Å; L97-L101 VanDerWaalsContact O-CB 3.3Å; L97-L101 WeakPolarHBondContact O-CB 3.42Å; L97-L101 PolarHBondContact O-N 3.1Å; L97-L105 HydrophobicContact CB-CD1 4.31Å; L97-L105 HydrophobicContact CB-CD2 3.79Å; L97-L105 HydrophobicContact CD1-CD1 4.46Å |
| 98 | Q | 98.1 | Very high | 98.1 | Very high | 87 Ų | 87 | 49.2 Ų | 49.2 | 41% | 0.407 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 178.2 | -175.2 | 61.1 | 67.5 | 0 | 0 | 112 | D94 K95 G102 L105 | D94-Q98 WeakPolarHBondContact O-CB 3.29Å; D94-Q98 PolarHBondContact O-N 2.94Å; K95-Q98 PolarHBondContact O-N 2.93Å; Q98-G102 VanDerWaalsContact NE2-C 3.26Å; Q98-G102 PolarHBondContact NE2-O 2.75Å; Q98-G102 VanDerWaalsContact O-CA 3.25Å; Q98-G102 WeakPolarHBondContact O-CA 3.43Å; Q98-G102 PolarHBondContact O-N 3.32Å; Q98-L105 HydrophobicContact CB-CD2 4.17Å |
| 99 | E | 97.6 | Very high | 98 | Very high | 159 Ų | 159 | 57.5 Ų | 57.5 | 74% | 0.743 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -66.3 | -42.7 | 174.2 | -73.8 | 167.5 | -167.6 | 0 | 0 | 111.8 | K95 G96 L97 | K95-E99 WeakPolarHBondContact O-CG 3.2Å; K95-E99 PolarHBondContact O-N 3.37Å; G96-E99 PolarHBondContact O-N 3.03Å; L97-E99 VanDerWaalsContact C-N 3.31Å; L97-E99 PolarHBondContact O-N 2.98Å |
| 100 | R | 97 | Very high | 97.9 | Very high | 100 Ų | 100 | 58.3 Ų | 58.3 | 38% | 0.377 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -73.9 | -37.8 | -178.9 | -70 | -178.8 | 72 | 171.7 | 8.6 | 113.5 | L75 D76 R83 G96 L97 | L75-R100 VanDerWaalsContact CB-CZ 3.4Å; L75-R100 HydrophobicContact CD1-CB 4.49Å; L75-R100 PolarHBondContact O-NH2 2.92Å; D76-R100 IonicContact OD1-CZ 3.35Å; D76-R100 IonicContact OD1-NH1 3.13Å; D76-R100 PolarHBondContact OD1-NH1 2.99Å; D76-R100 IonicContact OD1-NH2 3.79Å; D76-R100 PolarHBondContact OD1-NH2 3.06Å; R83-R100 VanDerWaalsContact CZ-O 3.31Å; R83-R100 PolarHBondContact NE-O 3.35Å; R83-R100 PolarHBondContact NH2-O 2.68Å; G96-R100 WeakPolarHBondContact O-CG 3.47Å; G96-R100 PolarHBondContact O-N 2.7Å; G96-R100 VanDerWaalsContact O-N 3.09Å; L97-R100 PolarHBondContact O-N 3.25Å |
| 101 | L | 97.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -104.7 | -23.7 | -171.3 | -68.8 | 168.5 | 0 | 0 | 0 | 113.4 | L75 V88 L97 S103 H104 L105 | L75-L101 HydrophobicContact CD1-CD1 4.47Å; L75-L101 HydrophobicContact CD2-CD1 4.23Å; L75-L101 HydrophobicContact CD2-CD2 3.76Å; L75-L101 HydrophobicContact CD2-CG 4.2Å; V88-L101 HydrophobicContact CB-CD1 4Å; V88-L101 HydrophobicContact CG2-CD1 3.68Å; V88-L101 HydrophobicContact CG2-CD2 4.41Å; L97-L101 VanDerWaalsContact O-CB 3.3Å; L97-L101 WeakPolarHBondContact O-CB 3.42Å; L97-L101 PolarHBondContact O-N 3.1Å; L101-S103 PolarHBondContact O-N 2.94Å; L101-H104 HydrophobicContact CB-CB 4.23Å; L101-H104 HydrophobicContact CD2-CB 4.42Å; L101-H104 VanDerWaalsContact O-CB 3.31Å; L101-H104 WeakPolarHBondContact O-CB 3.42Å; L101-H104 PolarHBondContact O-N 3.06Å; L101-L105 HydrophobicContact CB-CB 3.98Å; L101-L105 HydrophobicContact CD1-CB 4.21Å; L101-L105 HydrophobicContact CD1-CD1 4.13Å |
| 102 | G | 97.7 | Very high | 97.6 | Very high | 25 Ų | 25 | 62.4 Ų | 62.4 | 26% | 0.258 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | 56.9 | -129.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q98 H104 L105 | Q98-G102 VanDerWaalsContact NE2-C 3.26Å; Q98-G102 PolarHBondContact NE2-O 2.75Å; Q98-G102 VanDerWaalsContact O-CA 3.25Å; Q98-G102 WeakPolarHBondContact O-CA 3.43Å; Q98-G102 PolarHBondContact O-N 3.32Å; G102-H104 PolarHBondContact O-N 3.42Å; G102-H104 VanDerWaalsContact O-N 3.1Å; G102-L105 PolarHBondContact O-N 2.05Å |
| 103 | S | 97.2 | Very high | 97.4 | Very high | 101 Ų | 101 | 67.3 Ų | 67.3 | 71% | 0.706 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -64.8 | -9.6 | 177.7 | 54.5 | 0 | 0 | 0 | 0 | 114.6 | L101 L105 | L101-S103 PolarHBondContact O-N 2.94Å; S103-L105 VanDerWaalsContact C-N 3.31Å |
| 104 | H | 98.5 | Very high | 97.1 | Very high | 28 Ų | 28 | 70.6 Ų | 70.6 | 13% | 0.13 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -82.1 | -9 | 177.2 | -66.7 | -113 | 0 | 0 | 0 | 112.9 | R83 E84 T86 F87 V88 L101 G102 | R83-H104 PolarHBondContact O-ND1 2.61Å; E84-H104 PolarHBondContact O-CE1 3.31Å; E84-H104 VanDerWaalsContact O-CE1 3.3Å; T86-H104 WeakPolarHBondContact O-CB 3.45Å; T86-H104 PolarHBondContact O-ND1 3.13Å; F87-H104 CarbonylContact C-O 3.51Å; F87-H104 WeakPolarHBondContact CA-O 3.44Å; F87-H104 HydrophobicContact CD1-CB 4.39Å; F87-H104 AromaticContact CE1-ND1 3.84Å; F87-H104 AromaticContact CE2-CE1 3.96Å; F87-H104 AromaticContact CE2-ND1 3.87Å; F87-H104 AromaticContact CZ-CE1 3.65Å; F87-H104 AromaticContact CZ-ND1 3.75Å; V88-H104 PolarHBondContact N-O 3.49Å; L101-H104 HydrophobicContact CB-CB 4.23Å; L101-H104 HydrophobicContact CD2-CB 4.42Å; L101-H104 VanDerWaalsContact O-CB 3.31Å; L101-H104 WeakPolarHBondContact O-CB 3.42Å; L101-H104 PolarHBondContact O-N 3.06Å; G102-H104 PolarHBondContact O-N 3.42Å; G102-H104 VanDerWaalsContact O-N 3.1Å |
| 105 | L | 98.7 | Very high | 96.8 | Very high | 10 Ų | 10 | 69.9 Ų | 69.9 | 5% | 0.052 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 107.7 | 168.6 | -177 | 68.2 | 0 | 0 | 0 | 109.6 | V88 T90 L97 Q98 L101 G102 S103 V107 | V88-L105 HydrophobicContact CB-CD1 4.21Å; V88-L105 HydrophobicContact CG1-CD1 4.12Å; T90-L105 HydrophobicContact CG2-CD1 3.76Å; T90-L105 HydrophobicContact CG2-CG 4.36Å; L97-L105 HydrophobicContact CB-CD1 4.31Å; L97-L105 HydrophobicContact CB-CD2 3.79Å; L97-L105 HydrophobicContact CD1-CD1 4.46Å; Q98-L105 HydrophobicContact CB-CD2 4.17Å; L101-L105 HydrophobicContact CB-CB 3.98Å; L101-L105 HydrophobicContact CD1-CB 4.21Å; L101-L105 HydrophobicContact CD1-CD1 4.13Å; G102-L105 PolarHBondContact O-N 2.05Å; S103-L105 VanDerWaalsContact C-N 3.31Å; L105-V107 HydrophobicContact CD2-CG2 4.41Å; L105-V107 HydrophobicContact CG-CG2 4.29Å |
| 106 | V | 98.6 | Very high | 96.5 | Very high | 36 Ų | 36 | 65.5 Ų | 65.5 | 22% | 0.218 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 103.5 | 178.8 | -174.7 | 0 | 0 | 0 | 0 | 109.2 | V88 F89 T90 T108 | V88-V106 PolarHBondContact O-N 2.93Å; F89-V106 WeakPolarHBondContact CA-O 2.99Å; F89-V106 HydrophobicContact CD1-CB 3.74Å; F89-V106 HydrophobicContact CD1-CG1 3.75Å; F89-V106 HydrophobicContact CD1-CG2 4.34Å; F89-V106 HydrophobicContact CE1-CB 3.79Å; F89-V106 HydrophobicContact CE1-CG1 3.7Å; F89-V106 HydrophobicContact CE1-CG2 3.93Å; F89-V106 HydrophobicContact CG-CB 4.3Å; F89-V106 HydrophobicContact CZ-CB 4.39Å; F89-V106 HydrophobicContact CZ-CG2 4.1Å; T90-V106 PolarHBondContact N-O 3.12Å; V106-T108 HydrophobicContact CG1-CG2 4.41Å; V106-T108 PolarHBondContact O-N 3.29Å |
| 107 | V | 98.5 | Very high | 96.3 | Very high | 62 Ų | 62 | 67.1 Ų | 67.1 | 38% | 0.376 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 106.9 | 174.8 | -174.1 | 0 | 0 | 0 | 0 | 109.1 | T90 P93 L105 | T90-V107 HydrophobicContact CG2-CB 4.44Å; T90-V107 HydrophobicContact CG2-CG2 3.96Å; P93-V107 HydrophobicContact CB-CG2 4.31Å; L105-V107 HydrophobicContact CD2-CG2 4.41Å; L105-V107 HydrophobicContact CG-CG2 4.29Å |
| 108 | T | 98 | Very high | 96.1 | Very high | 16 Ų | 16 | 67.1 Ų | 67.1 | 10% | 0.098 | 37% | 0.368 | C | S | . | . | trans | -84.7 | 157.6 | 178.5 | 71 | 0 | 0 | 0 | 0 | 111.1 | F89 T90 V106 C110 A125 | F89-T108 HydrophobicContact CD1-CG2 4.24Å; T90-T108 WeakPolarHBondContact O-CB 3.43Å; T90-T108 PolarHBondContact O-N 2.99Å; T90-T108 PolarHBondContact O-OG1 2.61Å; V106-T108 HydrophobicContact CG1-CG2 4.41Å; V106-T108 PolarHBondContact O-N 3.29Å; T108-C110 PolarHBondContact O-N 3.13Å; T108-C110 WeakPolarHBondContact OG1-CB 3.31Å; T108-C110 PolarHBondContact OG1-N 3.18Å; T108-A125 HydrophobicContact CG2-CB 3.73Å | ||
| 109 | N | 96.6 | Very high | 96 | Very high | 175 Ų | 175 | 64.3 Ų | 64.3 | 94% | 0.936 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -90.2 | 25.4 | 169.7 | -163.3 | 36.3 | 0 | 0 | 0 | 112.2 | ||
| 110 | C | 97 | Very high | 96 | Very high | 16 Ų | 16 | 56.8 Ų | 56.8 | 11% | 0.108 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -83.5 | 156.9 | 178.6 | -60 | 0 | 0 | 0 | 0 | 110.8 | D91 T108 C121 K122 | D91-C110 WeakPolarHBondContact CB-O 3.34Å; T108-C110 PolarHBondContact O-N 3.13Å; T108-C110 WeakPolarHBondContact OG1-CB 3.31Å; T108-C110 PolarHBondContact OG1-N 3.18Å; C110-C121 VanDerWaalsContact CA-SG 3.55Å; C110-C121 HydrophobicContact CB-CB 3.7Å; C110-C121 WeakPolarHBondContact CB-SG 3.34Å; C110-C121 WeakPolarHBondContact SG-CB 3.25Å; C110-C121 PolarHBondContact SG-O 2.71Å; C110-C121 CovalentContact SG-SG 2.04Å; C110-C121 PolarHBondContact SG-SG 3.35Å; C110-K122 HydrophobicContact CB-CG 3.82Å; C110-K122 PolarHBondContact SG-N 3.15Å |
| 111 | S | 96.3 | Very high | 96 | Very high | 55 Ų | 55 | 53.4 Ų | 53.4 | 39% | 0.385 | 31% | 0.312 | S | S | . | . | trans | -61.8 | 149.7 | 174.8 | 178.7 | 0 | 0 | 0 | 0 | 112.1 | E113 K122 | S111-E113 VanDerWaalsContact C-N 3.26Å; S111-E113 WeakPolarHBondContact OG-CB 3.27Å; S111-E113 WeakPolarHBondContact OG-CG 3.42Å; S111-E113 PolarHBondContact OG-N 3.02Å; S111-E113 VanDerWaalsContact OG-N 3.15Å; S111-K122 PolarHBondContact O-NZ 2.81Å | ||
| 112 | A | 95.1 | Very high | 96 | Very high | 57 Ų | 57 | 53.5 Ų | 53.5 | 47% | 0.471 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -81.1 | -4.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D91 | D91-A112 HydrophobicContact CB-CB 4.23Å; D91-A112 WeakPolarHBondContact OD2-CA 3.36Å |
| 113 | E | 94.1 | Very high | 96.1 | Very high | 125 Ų | 125 | 52.3 Ų | 52.3 | 58% | 0.584 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -68 | 157.7 | 177.3 | -69 | 173.5 | -170.4 | 0 | 0 | 112.8 | S111 S115 A118 | S111-E113 VanDerWaalsContact C-N 3.26Å; S111-E113 WeakPolarHBondContact OG-CB 3.27Å; S111-E113 WeakPolarHBondContact OG-CG 3.42Å; S111-E113 PolarHBondContact OG-N 3.02Å; S111-E113 VanDerWaalsContact OG-N 3.15Å; E113-S115 PolarHBondContact O-N 3.1Å; E113-S115 PolarHBondContact OE2-OG 3.34Å; E113-S115 VanDerWaalsContact OE2-OG 3.14Å; E113-A118 HydrophobicContact CB-CB 4.25Å; E113-A118 WeakPolarHBondContact O-CB 3.1Å |
| 114 | H | 90.9 | Very high | 96.1 | Very high | 164 Ų | 164 | 47.7 Ų | 47.7 | 76% | 0.759 | 27% | 0.268 | S | S | * | . | trans | -93 | 40.6 | 169.8 | -152.7 | 122.4 | 0 | 0 | 0 | 111 | ||||
| 115 | S | 93.2 | Very high | 96.1 | Very high | 35 Ų | 35 | 47.5 Ų | 47.5 | 25% | 0.245 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -94.3 | 153.1 | 178 | 60.5 | 0 | 0 | 0 | 0 | 110.7 | E113 P117 A118 L119 | E113-S115 PolarHBondContact O-N 3.1Å; E113-S115 PolarHBondContact OE2-OG 3.34Å; E113-S115 VanDerWaalsContact OE2-OG 3.14Å; S115-P117 VanDerWaalsContact C-N 3.29Å; S115-A118 WeakPolarHBondContact O-CB 3.37Å; S115-A118 PolarHBondContact O-N 3.44Å; S115-A118 WeakPolarHBondContact OG-CB 3.32Å; S115-L119 PolarHBondContact O-N 2.79Å |
| 116 | H | 89.8 | Confident | 96.1 | Very high | 83 Ų | 83 | 47 Ų | 47 | 38% | 0.384 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -54.7 | -36.2 | 179.8 | 75.5 | -96 | 0 | 0 | 0 | 113.9 | S120 | H116-S120 VanDerWaalsContact O-CB 3.25Å; H116-S120 WeakPolarHBondContact O-CB 3.09Å; H116-S120 PolarHBondContact O-N 3.44Å; H116-S120 PolarHBondContact O-OG 3.18Å |
| 117 | P | 93.3 | Very high | 96.1 | Very high | 68 Ų | 68 | 45.3 Ų | 45.3 | 44% | 0.442 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -69.8 | -38.1 | 175.7 | -17.4 | 33.4 | 0 | 0 | 0 | 112.2 | S115 S120 C121 | S115-P117 VanDerWaalsContact C-N 3.29Å; P117-S120 PolarHBondContact O-N 2.88Å; P117-C121 WeakPolarHBondContact O-CB 3.07Å; P117-C121 PolarHBondContact O-N 2.98Å |
| 118 | A | 94.6 | Very high | 96.2 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 3% | 0.033 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 180 | 0 | 0 | 0 | 0 | 0 | 111.7 | E113 S115 C121 K122 | E113-A118 HydrophobicContact CB-CB 4.25Å; E113-A118 WeakPolarHBondContact O-CB 3.1Å; S115-A118 WeakPolarHBondContact O-CB 3.37Å; S115-A118 PolarHBondContact O-N 3.44Å; S115-A118 WeakPolarHBondContact OG-CB 3.32Å; A118-C121 PolarHBondContact O-N 3.35Å; A118-K122 PolarHBondContact O-N 3.14Å |
| 119 | L | 95.4 | Very high | 96.2 | Very high | 29 Ų | 29 | 46 Ų | 46 | 15% | 0.152 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 175.4 | -65.5 | 176.9 | 0 | 0 | 0 | 111.5 | K61 S115 C121 K122 M123 D231 | K61-L119 HydrophobicContact CD-CD2 3.93Å; S115-L119 PolarHBondContact O-N 2.79Å; L119-C121 VanDerWaalsContact C-N 3.32Å; L119-C121 PolarHBondContact O-N 3.45Å; L119-K122 PolarHBondContact O-N 3.14Å; L119-M123 PolarHBondContact O-N 3Å; L119-D231 HydrophobicContact CB-CB 4.44Å |
| 120 | S | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.9 | -36.1 | 178.3 | -61.5 | 0 | 0 | 0 | 0 | 112.8 | H116 P117 M123 A124 F220 S224 | H116-S120 VanDerWaalsContact O-CB 3.25Å; H116-S120 WeakPolarHBondContact O-CB 3.09Å; H116-S120 PolarHBondContact O-N 3.44Å; H116-S120 PolarHBondContact O-OG 3.18Å; P117-S120 PolarHBondContact O-N 2.88Å; S120-M123 PolarHBondContact O-N 3.35Å; S120-A124 WeakPolarHBondContact O-CB 3.4Å; S120-A124 PolarHBondContact O-N 2.98Å; S120-F220 VanDerWaalsContact O-CD1 3.32Å; S120-F220 WeakPolarHBondContact O-CD1 3.45Å; S120-S224 WeakPolarHBondContact OG-CB 3.5Å; S120-S224 PolarHBondContact OG-OG 3.42Å |
| 121 | C | 97.9 | Very high | 96.4 | Very high | 29 Ų | 29 | 37.9 Ų | 37.9 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.1 | -46.4 | 173.4 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | C110 P117 A118 L119 A124 A125 M221 | C110-C121 VanDerWaalsContact CA-SG 3.55Å; C110-C121 HydrophobicContact CB-CB 3.7Å; C110-C121 WeakPolarHBondContact CB-SG 3.34Å; C110-C121 WeakPolarHBondContact SG-CB 3.25Å; C110-C121 PolarHBondContact SG-O 2.71Å; C110-C121 CovalentContact SG-SG 2.04Å; C110-C121 PolarHBondContact SG-SG 3.35Å; P117-C121 WeakPolarHBondContact O-CB 3.07Å; P117-C121 PolarHBondContact O-N 2.98Å; A118-C121 PolarHBondContact O-N 3.35Å; L119-C121 VanDerWaalsContact C-N 3.32Å; L119-C121 PolarHBondContact O-N 3.45Å; C121-A124 WeakPolarHBondContact O-CB 3.45Å; C121-A124 PolarHBondContact O-N 3.12Å; C121-A125 PolarHBondContact O-N 3.17Å; C121-A125 VanDerWaalsContact O-N 3.16Å; C121-M221 HydrophobicContact CB-CG 4.39Å; C121-M221 HydrophobicContact CB-SD 3.68Å |
| 122 | K | 98.2 | Very high | 96.5 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 2% | 0.022 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.4 | -42.9 | 177 | -69.9 | -170.3 | 177.1 | 99.4 | 0 | 111.6 | K61 T62 D91 C110 S111 A118 L119 A124 A125 E126 | K61-K122 HydrophobicContact CD-CB 4.15Å; K61-K122 HydrophobicContact CD-CD 4.31Å; K61-K122 HydrophobicContact CG-CB 4.21Å; K61-K122 HydrophobicContact CG-CD 3.93Å; T62-K122 WeakPolarHBondContact O-CE 3.43Å; D91-K122 VanDerWaalsContact OD2-CE 3.24Å; D91-K122 WeakPolarHBondContact OD2-CE 3.46Å; D91-K122 IonicContact OD2-NZ 3.18Å; D91-K122 PolarHBondContact OD2-NZ 3.41Å; C110-K122 HydrophobicContact CB-CG 3.82Å; C110-K122 PolarHBondContact SG-N 3.15Å; S111-K122 PolarHBondContact O-NZ 2.81Å; A118-K122 PolarHBondContact O-N 3.14Å; L119-K122 PolarHBondContact O-N 3.14Å; K122-A124 VanDerWaalsContact C-N 3.32Å; K122-A124 PolarHBondContact O-N 2.56Å; K122-A125 WeakPolarHBondContact O-CA 3.35Å; K122-A125 WeakPolarHBondContact O-CB 3.4Å; K122-A125 PolarHBondContact O-N 3.48Å; K122-E126 WeakPolarHBondContact O-CG 3.23Å; K122-E126 PolarHBondContact O-N 3.28Å |
| 123 | M | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.7 | -38.3 | 175.3 | 179 | 59.1 | 61.3 | 0 | 0 | 112.5 | L119 S120 A125 E126 F127 F138 H140 F201 F220 D231 M235 | L119-M123 PolarHBondContact O-N 3Å; S120-M123 PolarHBondContact O-N 3.35Å; M123-A125 VanDerWaalsContact C-N 3.34Å; M123-A125 PolarHBondContact O-N 3.13Å; M123-E126 WeakPolarHBondContact O-CB 3.31Å; M123-E126 PolarHBondContact O-N 3.07Å; M123-F127 WeakPolarHBondContact O-CB 3.42Å; M123-F127 PolarHBondContact O-N 3.03Å; M123-F138 HydrophobicContact SD-CE1 4.43Å; M123-F138 HydrophobicContact SD-CZ 4.29Å; M123-H140 HydrophobicContact CE-CB 4.28Å; M123-F201 HydrophobicContact CE-CE1 4.32Å; M123-F201 HydrophobicContact CE-CZ 3.92Å; M123-F201 HydrophobicContact SD-CZ 4.33Å; M123-F220 HydrophobicContact CB-CD1 4.29Å; M123-F220 HydrophobicContact CB-CE1 3.75Å; M123-F220 HydrophobicContact CB-CZ 4.12Å; M123-F220 HydrophobicContact CG-CD1 4.23Å; M123-F220 HydrophobicContact CG-CE1 3.52Å; M123-F220 HydrophobicContact CG-CE2 3.96Å; M123-F220 HydrophobicContact CG-CZ 3.35Å; M123-D231 HydrophobicContact CB-CB 3.85Å; M123-D231 HydrophobicContact CG-CB 4.13Å; M123-M235 HydrophobicContact SD-CG 4.49Å; M123-M235 HydrophobicContact SD-SD 4.35Å |
| 124 | A | 98.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 35 Ų | 35 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58 | -46.2 | 171 | 0 | 0 | 0 | 0 | 0 | 111.6 | S120 C121 K122 E126 F127 D128 F220 | S120-A124 WeakPolarHBondContact O-CB 3.4Å; S120-A124 PolarHBondContact O-N 2.98Å; C121-A124 WeakPolarHBondContact O-CB 3.45Å; C121-A124 PolarHBondContact O-N 3.12Å; K122-A124 VanDerWaalsContact C-N 3.32Å; K122-A124 PolarHBondContact O-N 2.56Å; A124-E126 PolarHBondContact O-N 3.32Å; A124-F127 PolarHBondContact O-N 2.84Å; A124-D128 WeakPolarHBondContact O-CB 3.48Å; A124-D128 PolarHBondContact O-N 3.06Å; A124-F220 HydrophobicContact CB-CB 3.87Å; A124-F220 HydrophobicContact CB-CG 4.47Å |
| 125 | A | 98.6 | Very high | 97.2 | Very high | 23 Ų | 23 | 29.1 Ų | 29.1 | 19% | 0.19 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.4 | -41 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F89 T108 C121 K122 M123 T129 | F89-A125 HydrophobicContact CD1-CB 4.07Å; F89-A125 HydrophobicContact CE1-CB 4.29Å; F89-A125 WeakPolarHBondContact CE1-O 3.35Å; T108-A125 HydrophobicContact CG2-CB 3.73Å; C121-A125 PolarHBondContact O-N 3.17Å; C121-A125 VanDerWaalsContact O-N 3.16Å; K122-A125 WeakPolarHBondContact O-CA 3.35Å; K122-A125 WeakPolarHBondContact O-CB 3.4Å; K122-A125 PolarHBondContact O-N 3.48Å; M123-A125 VanDerWaalsContact C-N 3.34Å; M123-A125 PolarHBondContact O-N 3.13Å; A125-T129 VanDerWaalsContact O-CB 3.29Å; A125-T129 WeakPolarHBondContact O-CB 3.21Å; A125-T129 PolarHBondContact O-N 2.65Å; A125-T129 PolarHBondContact O-OG1 3.39Å |
| 126 | E | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.4 | -50.2 | 173.4 | -66.8 | 174.6 | -129.6 | 0 | 0 | 111.2 | A59 K61 F89 K122 M123 A124 T129 F130 F138 H140 | A59-E126 HydrophobicContact CB-CB 4.06Å; A59-E126 HydrophobicContact CB-CG 3.89Å; A59-E126 VanDerWaalsContact CB-OE2 3.28Å; A59-E126 WeakPolarHBondContact CB-OE2 3.42Å; K61-E126 WeakPolarHBondContact CB-OE1 3.34Å; K61-E126 WeakPolarHBondContact CE-OE1 3.38Å; K61-E126 IonicContact NZ-OE1 2.69Å; K61-E126 PolarHBondContact NZ-OE1 2.83Å; F89-E126 HydrophobicContact CB-CG 4.15Å; F89-E126 HydrophobicContact CD1-CG 3.99Å; F89-E126 HydrophobicContact CD2-CB 4.45Å; F89-E126 HydrophobicContact CD2-CG 3.56Å; F89-E126 HydrophobicContact CE1-CG 4.3Å; F89-E126 HydrophobicContact CE2-CB 4.31Å; F89-E126 HydrophobicContact CE2-CG 3.89Å; F89-E126 HydrophobicContact CG-CG 3.61Å; F89-E126 HydrophobicContact CZ-CB 4.36Å; F89-E126 HydrophobicContact CZ-CG 4.26Å; K122-E126 WeakPolarHBondContact O-CG 3.23Å; K122-E126 PolarHBondContact O-N 3.28Å; M123-E126 WeakPolarHBondContact O-CB 3.31Å; M123-E126 PolarHBondContact O-N 3.07Å; A124-E126 PolarHBondContact O-N 3.32Å; E126-T129 PolarHBondContact O-N 3.38Å; E126-F130 WeakPolarHBondContact O-CB 3.23Å; E126-F130 PolarHBondContact O-N 2.72Å; E126-F138 HydrophobicContact CB-CE2 4.04Å; E126-F138 HydrophobicContact CB-CZ 3.96Å; E126-H140 IonicContact OE1-CE1 2.85Å; E126-H140 IonicContact OE1-ND1 2.74Å; E126-H140 IonicContact OE2-CE1 3.94Å; E126-H140 IonicContact OE2-CG 3.03Å; E126-H140 IonicContact OE2-ND1 2.86Å; E126-H140 PolarHBondContact OE2-ND1 3.41Å |
| 127 | F | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.8 | -46.6 | -177.3 | -170.8 | -92.2 | 0 | 0 | 0 | 112.6 | M123 A124 F130 L131 I203 A208 M211 A215 M235 | M123-F127 WeakPolarHBondContact O-CB 3.42Å; M123-F127 PolarHBondContact O-N 3.03Å; A124-F127 PolarHBondContact O-N 2.84Å; F127-F130 WeakPolarHBondContact O-CB 3.28Å; F127-F130 PolarHBondContact O-N 2.65Å; F127-L131 HydrophobicContact CD1-CD1 3.98Å; F127-L131 HydrophobicContact CD1-CG 4.24Å; F127-L131 HydrophobicContact CE1-CD1 3.48Å; F127-L131 VanDerWaalsContact CE1-CD1 3.48Å; F127-L131 HydrophobicContact CE1-CG 3.94Å; F127-L131 HydrophobicContact CZ-CD1 4.26Å; F127-L131 HydrophobicContact CZ-CG 4.45Å; F127-L131 PolarHBondContact O-N 3.21Å; F127-I203 HydrophobicContact CD2-CD1 4.37Å; F127-I203 HydrophobicContact CE2-CD1 3.8Å; F127-A208 HydrophobicContact CE2-CB 3.87Å; F127-A208 HydrophobicContact CZ-CB 3.89Å; F127-A208 VanDerWaalsContact CZ-O 3.32Å; F127-A208 WeakPolarHBondContact CZ-O 3.24Å; F127-M211 HydrophobicContact CE2-CB 4.36Å; F127-M211 HydrophobicContact CE2-CE 4.13Å; F127-M211 HydrophobicContact CE2-SD 4.23Å; F127-M211 HydrophobicContact CZ-CB 3.87Å; F127-A215 HydrophobicContact CD1-CB 3.93Å; F127-A215 HydrophobicContact CE1-CB 3.57Å; F127-A215 HydrophobicContact CE2-CB 4.2Å; F127-A215 HydrophobicContact CG-CB 4.37Å; F127-A215 HydrophobicContact CZ-CB 3.72Å; F127-M235 HydrophobicContact CD2-CE 4.38Å |
| 128 | D | 98.7 | Very high | 98.1 | Very high | 50 Ų | 50 | 24.1 Ų | 24.1 | 27% | 0.267 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 178.8 | -77.9 | -22.8 | 0 | 0 | 0 | 111.6 | A124 F130 L131 A132 S216 G217 | A124-D128 WeakPolarHBondContact O-CB 3.48Å; A124-D128 PolarHBondContact O-N 3.06Å; D128-F130 VanDerWaalsContact C-N 3.33Å; D128-F130 PolarHBondContact O-N 3.14Å; D128-L131 PolarHBondContact O-N 3.4Å; D128-A132 WeakPolarHBondContact O-CB 3.39Å; D128-A132 PolarHBondContact O-N 3.3Å; D128-S216 WeakPolarHBondContact OD1-CA 3.4Å; D128-S216 WeakPolarHBondContact OD1-CB 3.45Å; D128-S216 PolarHBondContact OD1-OG 3.43Å; D128-G217 PolarHBondContact OD1-N 3.36Å; D128-G217 VanDerWaalsContact OD2-CA 3.25Å; D128-G217 WeakPolarHBondContact OD2-CA 3.49Å; D128-G217 PolarHBondContact OD2-N 3.17Å |
| 129 | T | 98.8 | Very high | 98.3 | Very high | 42 Ų | 42 | 24.1 Ų | 24.1 | 26% | 0.258 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 176.3 | -54.8 | 0 | 0 | 0 | 0 | 110.9 | F57 F89 A125 E126 A132 S133 | F57-T129 HydrophobicContact CE2-CG2 4.01Å; F57-T129 HydrophobicContact CZ-CG2 3.72Å; F89-T129 HydrophobicContact CE1-CG2 4.39Å; F89-T129 WeakPolarHBondContact CE1-OG1 3.35Å; F89-T129 HydrophobicContact CZ-CG2 3.93Å; A125-T129 VanDerWaalsContact O-CB 3.29Å; A125-T129 WeakPolarHBondContact O-CB 3.21Å; A125-T129 PolarHBondContact O-N 2.65Å; A125-T129 PolarHBondContact O-OG1 3.39Å; E126-T129 PolarHBondContact O-N 3.38Å; T129-A132 PolarHBondContact O-N 3.06Å; T129-S133 PolarHBondContact O-N 3.35Å |
| 130 | F | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.9 | -47.8 | 172.7 | 165.4 | -112.4 | 0 | 0 | 0 | 112.3 | F57 E126 F127 D128 A132 S133 L135 W137 F138 R205 A208 | F57-F130 HydrophobicContact CB-CD2 3.59Å; F57-F130 HydrophobicContact CB-CE2 4.17Å; F57-F130 HydrophobicContact CD1-CB 4.02Å; F57-F130 HydrophobicContact CD1-CD2 4.31Å; F57-F130 HydrophobicContact CD2-CD2 4.49Å; F57-F130 HydrophobicContact CE1-CB 4.2Å; F57-F130 HydrophobicContact CG-CB 4.26Å; F57-F130 AromaticContact CG-CD2 3.91Å; F57-F130 HydrophobicContact CG-CD2 3.91Å; E126-F130 WeakPolarHBondContact O-CB 3.23Å; E126-F130 PolarHBondContact O-N 2.72Å; F127-F130 WeakPolarHBondContact O-CB 3.28Å; F127-F130 PolarHBondContact O-N 2.65Å; D128-F130 VanDerWaalsContact C-N 3.33Å; D128-F130 PolarHBondContact O-N 3.14Å; F130-A132 VanDerWaalsContact C-N 3.27Å; F130-A132 PolarHBondContact O-N 2.77Å; F130-S133 WeakPolarHBondContact O-CB 3.5Å; F130-S133 PolarHBondContact O-N 3.22Å; F130-S133 VanDerWaalsContact O-N 3.11Å; F130-S133 PolarHBondContact O-OG 3.3Å; F130-L135 HydrophobicContact CE2-CB 4.28Å; F130-L135 VanDerWaalsContact CE2-O 3.26Å; F130-L135 WeakPolarHBondContact CE2-O 3.11Å; F130-L135 WeakPolarHBondContact CZ-O 3.49Å; F130-W137 WeakPolarHBondContact CE2-O 3.43Å; F130-F138 HydrophobicContact CB-CB 4.44Å; F130-F138 HydrophobicContact CB-CD2 3.58Å; F130-F138 HydrophobicContact CB-CE2 4.18Å; F130-F138 HydrophobicContact CB-CG 4.32Å; F130-F138 HydrophobicContact CD1-CB 3.61Å; F130-F138 HydrophobicContact CD1-CD2 4.21Å; F130-F138 HydrophobicContact CD1-CG 4.1Å; F130-F138 HydrophobicContact CD2-CB 3.73Å; F130-F138 HydrophobicContact CD2-CD2 4.18Å; F130-F138 HydrophobicContact CD2-CG 4.44Å; F130-F138 HydrophobicContact CE1-CB 3.64Å; F130-F138 HydrophobicContact CE2-CB 3.77Å; F130-F138 HydrophobicContact CG-CB 3.63Å; F130-F138 AromaticContact CG-CD2 3.71Å; F130-F138 HydrophobicContact CG-CD2 3.71Å; F130-F138 HydrophobicContact CG-CG 4.01Å; F130-F138 HydrophobicContact CZ-CB 3.71Å; F130-R205 HydrophobicContact CZ-CB 3.98Å; F130-R205 HydrophobicContact CZ-CG 4.41Å; F130-A208 HydrophobicContact CD1-CB 4.19Å; F130-A208 HydrophobicContact CE1-CB 3.58Å |
| 131 | L | 98.7 | Very high | 98.5 | Very high | 22 Ų | 22 | 23 Ų | 23 | 12% | 0.115 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.5 | -42.5 | 178.2 | -74.7 | -172.9 | 0 | 0 | 0 | 111.5 | F127 D128 S133 G134 R205 A208 L209 A212 | F127-L131 HydrophobicContact CD1-CD1 3.98Å; F127-L131 HydrophobicContact CD1-CG 4.24Å; F127-L131 HydrophobicContact CE1-CD1 3.48Å; F127-L131 VanDerWaalsContact CE1-CD1 3.48Å; F127-L131 HydrophobicContact CE1-CG 3.94Å; F127-L131 HydrophobicContact CZ-CD1 4.26Å; F127-L131 HydrophobicContact CZ-CG 4.45Å; F127-L131 PolarHBondContact O-N 3.21Å; D128-L131 PolarHBondContact O-N 3.4Å; L131-S133 VanDerWaalsContact C-N 3.34Å; L131-S133 PolarHBondContact O-N 3.35Å; L131-G134 PolarHBondContact O-N 3.48Å; L131-R205 PolarHBondContact O-NH1 2.89Å; L131-R205 PolarHBondContact O-NH2 2.81Å; L131-A208 HydrophobicContact CD2-CB 3.88Å; L131-L209 HydrophobicContact CD2-CD2 4.07Å; L131-L209 HydrophobicContact CD2-CG 4.41Å; L131-A212 HydrophobicContact CD1-CB 4.4Å |
| 132 | A | 98.4 | Very high | 98.6 | Very high | 90 Ų | 90 | 23.7 Ų | 23.7 | 74% | 0.744 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -65.3 | -32.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D128 T129 F130 G134 | D128-A132 WeakPolarHBondContact O-CB 3.39Å; D128-A132 PolarHBondContact O-N 3.3Å; T129-A132 PolarHBondContact O-N 3.06Å; F130-A132 VanDerWaalsContact C-N 3.27Å; F130-A132 PolarHBondContact O-N 2.77Å; A132-G134 PolarHBondContact O-N 3.29Å |
| 133 | S | 98.4 | Very high | 98.6 | Very high | 44 Ų | 44 | 23.9 Ų | 23.9 | 31% | 0.308 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -63.9 | -23.7 | -179.7 | 77.5 | 0 | 0 | 0 | 0 | 114.4 | T129 F130 L131 L135 | T129-S133 PolarHBondContact O-N 3.35Å; F130-S133 WeakPolarHBondContact O-CB 3.5Å; F130-S133 PolarHBondContact O-N 3.22Å; F130-S133 VanDerWaalsContact O-N 3.11Å; F130-S133 PolarHBondContact O-OG 3.3Å; L131-S133 VanDerWaalsContact C-N 3.34Å; L131-S133 PolarHBondContact O-N 3.35Å; S133-L135 PolarHBondContact O-N 3.21Å; S133-L135 PolarHBondContact OG-N 2.59Å |
| 134 | G | 98.1 | Very high | 98.6 | Very high | 41 Ų | 41 | 24.3 Ų | 24.3 | 42% | 0.423 | 16% | 0.155 | S | C | . | . | trans | 75.7 | -4.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L131 A132 | L131-G134 PolarHBondContact O-N 3.48Å; A132-G134 PolarHBondContact O-N 3.29Å | ||
| 135 | L | 98.1 | Very high | 98.6 | Very high | 42 Ų | 42 | 24.1 Ų | 24.1 | 22% | 0.22 | 15% | 0.153 | C | C | . | . | trans | -67.9 | 157 | -175.1 | -61.8 | -171.2 | 0 | 0 | 0 | 112.8 | H54 F57 F130 S133 R205 | H54-L135 VanDerWaalsContact O-CD2 3.25Å; H54-L135 WeakPolarHBondContact O-CD2 3.45Å; F57-L135 HydrophobicContact CB-CB 4.33Å; F57-L135 HydrophobicContact CB-CD1 3.95Å; F57-L135 HydrophobicContact CD2-CD1 4.22Å; F130-L135 HydrophobicContact CE2-CB 4.28Å; F130-L135 VanDerWaalsContact CE2-O 3.26Å; F130-L135 WeakPolarHBondContact CE2-O 3.11Å; F130-L135 WeakPolarHBondContact CZ-O 3.49Å; S133-L135 PolarHBondContact O-N 3.21Å; S133-L135 PolarHBondContact OG-N 2.59Å; L135-R205 WeakPolarHBondContact O-CB 3.44Å; L135-R205 WeakPolarHBondContact O-CD 3.47Å | ||
| 136 | R | 97.7 | Very high | 98.6 | Very high | 66 Ų | 66 | 23.1 Ų | 23.1 | 25% | 0.249 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -81.1 | -28.5 | -169.8 | -64.3 | 173.2 | 60 | -176.2 | 1.6 | 113.1 | P49 D55 N204 R205 | P49-R136 PolarHBondContact O-NH1 3.03Å; P49-R136 VanDerWaalsContact O-NH1 3.17Å; D55-R136 HydrophobicContact CB-CB 4.18Å; D55-R136 HydrophobicContact CB-CG 4.3Å; D55-R136 PolarHBondContact O-N 3.25Å; D55-R136 WeakPolarHBondContact OD1-CD 3.41Å; D55-R136 IonicContact OD2-NH1 3.62Å; R136-N204 CarbonylContact O-C 3.52Å; R136-N204 WeakPolarHBondContact O-CA 3.38Å; R136-R205 PolarHBondContact O-N 3.31Å |
| 137 | W | 98.8 | Very high | 98.6 | Very high | 14 Ų | 14 | 23.2 Ų | 23.2 | 5% | 0.053 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 138.1 | -177.9 | -71.7 | 92 | 0 | 0 | 0 | 111.9 | L51 D55 V56 F57 F130 L156 F159 V165 C202 N204 | L51-W137 VanDerWaalsContact CD1-CD1 3.44Å; D55-W137 PolarHBondContact O-N 2.9Å; V56-W137 HydrophobicContact CG1-CB 4.36Å; V56-W137 HydrophobicContact CG2-CB 4.35Å; F57-W137 WeakPolarHBondContact CB-O 3.19Å; F57-W137 PolarHBondContact N-O 2.85Å; F130-W137 WeakPolarHBondContact CE2-O 3.43Å; W137-L156 HydrophobicContact CB-CD1 4.05Å; W137-L156 HydrophobicContact CD2-CB 4.43Å; W137-L156 HydrophobicContact CD2-CD1 4.01Å; W137-L156 HydrophobicContact CD2-CD2 3.97Å; W137-L156 HydrophobicContact CD2-CG 4.35Å; W137-L156 HydrophobicContact CE3-CD1 4.36Å; W137-L156 HydrophobicContact CE3-CD2 3.64Å; W137-L156 HydrophobicContact CE3-CG 4.49Å; W137-L156 HydrophobicContact CG-CD1 3.88Å; W137-L156 HydrophobicContact CH2-CD2 4.07Å; W137-L156 HydrophobicContact CZ2-CB 4.36Å; W137-L156 HydrophobicContact CZ2-CD2 4.38Å; W137-L156 HydrophobicContact CZ3-CD2 3.7Å; W137-F159 HydrophobicContact CH2-CB 4.27Å; W137-F159 AromaticContact CH2-CD2 3.75Å; W137-F159 HydrophobicContact CH2-CD2 3.75Å; W137-F159 HydrophobicContact CH2-CG 4.29Å; W137-F159 HydrophobicContact CZ2-CB 4.42Å; W137-F159 HydrophobicContact CZ2-CD2 4.35Å; W137-V165 HydrophobicContact CH2-CB 3.65Å; W137-V165 HydrophobicContact CH2-CG1 3.71Å; W137-V165 HydrophobicContact CH2-CG2 3.95Å; W137-V165 HydrophobicContact CZ3-CB 3.87Å; W137-V165 HydrophobicContact CZ3-CG1 3.83Å; W137-C202 HydrophobicContact CE3-CB 4.37Å; W137-N204 HydrophobicContact CD2-CB 3.96Å; W137-N204 HydrophobicContact CE3-CB 3.79Å; W137-N204 HydrophobicContact CH2-CB 3.96Å; W137-N204 HydrophobicContact CZ2-CB 4.1Å; W137-N204 HydrophobicContact CZ3-CB 3.79Å |
| 138 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 129.2 | 168.5 | 173.6 | -107.9 | 0 | 0 | 0 | 108.4 | F57 A59 M123 E126 F130 H140 F201 C202 I203 M235 | F57-F138 AromaticContact CD1-CD2 3.79Å; F57-F138 HydrophobicContact CD1-CD2 3.79Å; F57-F138 HydrophobicContact CD1-CE2 4.15Å; F57-F138 HydrophobicContact CE1-CD2 4.33Å; F57-F138 HydrophobicContact CE1-CE2 4.28Å; F57-F138 CarbonylContact O-C 3.57Å; A59-F138 HydrophobicContact CB-CE2 3.64Å; A59-F138 HydrophobicContact CB-CZ 4.09Å; M123-F138 HydrophobicContact SD-CE1 4.43Å; M123-F138 HydrophobicContact SD-CZ 4.29Å; E126-F138 HydrophobicContact CB-CE2 4.04Å; E126-F138 HydrophobicContact CB-CZ 3.96Å; F130-F138 HydrophobicContact CB-CB 4.44Å; F130-F138 HydrophobicContact CB-CD2 3.58Å; F130-F138 HydrophobicContact CB-CE2 4.18Å; F130-F138 HydrophobicContact CB-CG 4.32Å; F130-F138 HydrophobicContact CD1-CB 3.61Å; F130-F138 HydrophobicContact CD1-CD2 4.21Å; F130-F138 HydrophobicContact CD1-CG 4.1Å; F130-F138 HydrophobicContact CD2-CB 3.73Å; F130-F138 HydrophobicContact CD2-CD2 4.18Å; F130-F138 HydrophobicContact CD2-CG 4.44Å; F130-F138 HydrophobicContact CE1-CB 3.64Å; F130-F138 HydrophobicContact CE2-CB 3.77Å; F130-F138 HydrophobicContact CG-CB 3.63Å; F130-F138 AromaticContact CG-CD2 3.71Å; F130-F138 HydrophobicContact CG-CD2 3.71Å; F130-F138 HydrophobicContact CG-CG 4.01Å; F130-F138 HydrophobicContact CZ-CB 3.71Å; F138-H140 HydrophobicContact CE1-CB 3.84Å; F138-H140 HydrophobicContact CZ-CB 3.96Å; F138-F201 HydrophobicContact CD1-CE2 4.34Å; F138-F201 AromaticContact CE1-CE2 3.93Å; F138-F201 HydrophobicContact CE1-CE2 3.93Å; F138-F201 HydrophobicContact CE1-CZ 4.37Å; F138-C202 CarbonylContact O-C 3.5Å; F138-C202 WeakPolarHBondContact O-CA 3.38Å; F138-C202 WeakPolarHBondContact O-CB 3.47Å; F138-I203 HydrophobicContact CB-CG1 3.89Å; F138-I203 HydrophobicContact CD1-CD1 4.2Å; F138-I203 HydrophobicContact CD1-CG1 3.9Å; F138-I203 HydrophobicContact CG-CG1 4.35Å; F138-I203 PolarHBondContact N-O 2.93Å; F138-I203 PolarHBondContact O-N 3.11Å; F138-M235 HydrophobicContact CE1-CE 4.42Å |
| 139 | C | 98.9 | Very high | 98.6 | Very high | 5 Ų | 5 | 21.5 Ų | 21.5 | 3% | 0.034 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 120.4 | 170.2 | -65.7 | 0 | 0 | 0 | 0 | 109.5 | F57 I58 A59 F201 C202 | F57-C139 PolarHBondContact O-N 3.42Å; I58-C139 CarbonylContact C-O 3.42Å; I58-C139 WeakPolarHBondContact CA-O 3.32Å; A59-C139 PolarHBondContact N-O 3.06Å; C139-F201 CarbonylContact C-O 3.6Å; C139-F201 VanDerWaalsContact CA-O 3.25Å; C139-F201 WeakPolarHBondContact CA-O 3.38Å; C139-C202 HydrophobicContact CB-CB 4.14Å; C139-C202 WeakPolarHBondContact CB-SG 3.42Å; C139-C202 WeakPolarHBondContact SG-CB 3.32Å; C139-C202 CovalentContact SG-SG 2.05Å; C139-C202 PolarHBondContact SG-SG 2.63Å |
| 140 | H | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 140 | 174 | 168.9 | 67.6 | 0 | 0 | 0 | 110 | K61 M123 E126 F138 D142 G200 F201 | K61-H140 PolarHBondContact NZ-CE1 3.37Å; M123-H140 HydrophobicContact CE-CB 4.28Å; E126-H140 IonicContact OE1-CE1 2.85Å; E126-H140 IonicContact OE1-ND1 2.74Å; E126-H140 IonicContact OE2-CE1 3.94Å; E126-H140 IonicContact OE2-CG 3.03Å; E126-H140 IonicContact OE2-ND1 2.86Å; E126-H140 PolarHBondContact OE2-ND1 3.41Å; F138-H140 HydrophobicContact CE1-CB 3.84Å; F138-H140 HydrophobicContact CZ-CB 3.96Å; H140-D142 IonicContact CE1-OD1 3.42Å; H140-D142 IonicContact NE2-OD1 2.59Å; H140-D142 PolarHBondContact NE2-OD1 3.01Å; H140-G200 WeakPolarHBondContact O-CA 3.38Å; H140-F201 HydrophobicContact CB-CD1 4.26Å; H140-F201 HydrophobicContact CB-CD2 4.36Å; H140-F201 HydrophobicContact CB-CE1 3.78Å; H140-F201 HydrophobicContact CB-CE2 3.87Å; H140-F201 HydrophobicContact CB-CZ 3.55Å; H140-F201 AromaticContact CD2-CD1 3.96Å; H140-F201 AromaticContact CD2-CE1 3.41Å; H140-F201 VanDerWaalsContact CD2-CE1 3.41Å; H140-F201 WeakPolarHBondContact CD2-CE1 3.44Å; H140-F201 AromaticContact CG-CE1 3.81Å; H140-F201 AromaticContact CG-CZ 3.93Å; H140-F201 PolarHBondContact N-O 3.14Å; H140-F201 PolarHBondContact O-N 3.49Å; H140-F201 VanDerWaalsContact O-N 3.12Å |
| 141 | V | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.024 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 156.6 | 166.4 | -64.7 | 0 | 0 | 0 | 0 | 111.2 | I58 A59 V60 K61 W78 N145 V147 T273 | I58-V141 HydrophobicContact CG2-CG2 4.22Å; A59-V141 PolarHBondContact O-N 3.34Å; V60-V141 WeakPolarHBondContact CA-O 3.33Å; V60-V141 HydrophobicContact CG2-CG2 3.84Å; K61-V141 PolarHBondContact N-O 3.21Å; W78-V141 HydrophobicContact CH2-CG2 4.11Å; W78-V141 HydrophobicContact CZ2-CG2 4.15Å; V141-N145 HydrophobicContact CB-CB 3.93Å; V141-N145 HydrophobicContact CG1-CB 4.34Å; V141-V147 HydrophobicContact CB-CG2 4.45Å; V141-V147 HydrophobicContact CG1-CG2 3.75Å; V141-V147 HydrophobicContact CG2-CG2 4.12Å; V141-T273 HydrophobicContact CG1-CG2 4.13Å |
| 142 | D | 98.6 | Very high | 98.6 | Very high | 43 Ų | 43 | 27.5 Ų | 27.5 | 23% | 0.23 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 165.5 | 171.9 | -72.9 | -32.1 | 0 | 0 | 0 | 111.7 | H140 D144 N145 G198 | H140-D142 IonicContact CE1-OD1 3.42Å; H140-D142 IonicContact NE2-OD1 2.59Å; H140-D142 PolarHBondContact NE2-OD1 3.01Å; D142-D144 PolarHBondContact O-N 2.8Å; D142-D144 VanDerWaalsContact O-N 3.12Å; D142-N145 PolarHBondContact N-OD1 2.99Å; D142-N145 WeakPolarHBondContact O-CB 3.38Å; D142-N145 PolarHBondContact O-N 2.85Å; D142-G198 VanDerWaalsContact OD2-CA 3.26Å; D142-G198 WeakPolarHBondContact OD2-CA 3.36Å; D142-G198 PolarHBondContact OD2-N 3.25Å |
| 143 | D | 98.6 | Very high | 98.6 | Very high | 9 Ų | 9 | 24.1 Ų | 24.1 | 5% | 0.048 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -0.4 | -179 | 65.8 | 15.4 | 0 | 0 | 0 | 115.4 | V60 K61 T62 F66 R70 L74 | V60-D143 HydrophobicContact CG1-CB 4.37Å; K61-D143 WeakPolarHBondContact O-CB 3.42Å; K61-D143 PolarHBondContact O-N 3.17Å; K61-D143 VanDerWaalsContact O-N 3.16Å; T62-D143 WeakPolarHBondContact CA-OD2 3.36Å; T62-D143 WeakPolarHBondContact CB-OD2 3.48Å; T62-D143 PolarHBondContact OG1-OD2 3.28Å; F66-D143 VanDerWaalsContact CB-OD2 3.28Å; F66-D143 WeakPolarHBondContact CB-OD2 3.46Å; F66-D143 WeakPolarHBondContact CD2-OD2 3.26Å; R70-D143 HydrophobicContact CB-CB 4.34Å; R70-D143 WeakPolarHBondContact CB-O 3.37Å; R70-D143 WeakPolarHBondContact CD-OD1 3.47Å; R70-D143 IonicContact CZ-OD1 3.35Å; R70-D143 IonicContact NE-OD1 3.05Å; R70-D143 IonicContact NH1-OD1 2.64Å; R70-D143 PolarHBondContact NH1-OD1 2.78Å; L74-D143 WeakPolarHBondContact CD1-O 3.48Å |
| 144 | D | 98.6 | Very high | 98.6 | Very high | 10 Ų | 10 | 27.3 Ų | 27.3 | 5% | 0.053 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 15.5 | 169.8 | 60.6 | 34.5 | 0 | 0 | 0 | 113.4 | R70 D142 H256 S275 Y276 F301 | R70-D144 IonicContact CZ-OD2 2.85Å; R70-D144 IonicContact NH1-OD2 2.74Å; R70-D144 PolarHBondContact NH1-OD2 3.48Å; R70-D144 IonicContact NH2-OD2 2.62Å; D142-D144 PolarHBondContact O-N 2.8Å; D142-D144 VanDerWaalsContact O-N 3.12Å; D144-H256 IonicContact OD1-ND1 3.65Å; D144-H256 IonicContact OD2-CE1 3.81Å; D144-H256 IonicContact OD2-ND1 2.78Å; D144-S275 VanDerWaalsContact O-CA 3.31Å; D144-S275 WeakPolarHBondContact O-CA 3.35Å; D144-S275 PolarHBondContact O-OG 2.82Å; D144-S275 PolarHBondContact OD1-OG 2.84Å; D144-Y276 HydrophobicContact CB-CD1 4.12Å; D144-Y276 HydrophobicContact CB-CE1 3.79Å; D144-Y276 WeakPolarHBondContact O-CD1 3.42Å; D144-Y276 PolarHBondContact O-N 2.84Å; D144-F301 VanDerWaalsContact O-CZ 3.28Å; D144-F301 WeakPolarHBondContact O-CZ 3.06Å |
| 145 | N | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 148 | 172.8 | -66.4 | 134.3 | 0 | 0 | 0 | 113.5 | L74 W78 V141 D142 G198 L274 S275 F301 | L74-N145 WeakPolarHBondContact CD2-O 3.32Å; W78-N145 PolarHBondContact NE1-O 3.23Å; V141-N145 HydrophobicContact CB-CB 3.93Å; V141-N145 HydrophobicContact CG1-CB 4.34Å; D142-N145 PolarHBondContact N-OD1 2.99Å; D142-N145 WeakPolarHBondContact O-CB 3.38Å; D142-N145 PolarHBondContact O-N 2.85Å; N145-G198 PolarHBondContact ND2-O 3.46Å; N145-L274 CarbonylContact C-O 3.59Å; N145-L274 VanDerWaalsContact CA-O 3.23Å; N145-L274 WeakPolarHBondContact CA-O 3.24Å; N145-L274 PolarHBondContact ND2-O 3.34Å; N145-S275 WeakPolarHBondContact ND2-CB 3.28Å; N145-F301 VanDerWaalsContact C-CE2 3.44Å |
| 146 | Y | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 128.9 | 166.4 | -169.9 | -75.1 | 0 | 0 | 0 | 109.2 | W78 T273 L274 F301 L304 H305 L308 | W78-Y146 HydrophobicContact CB-CD1 4.21Å; W78-Y146 HydrophobicContact CB-CD2 4.22Å; W78-Y146 HydrophobicContact CB-CE1 3.88Å; W78-Y146 HydrophobicContact CB-CE2 3.94Å; W78-Y146 HydrophobicContact CB-CG 4.35Å; W78-Y146 AromaticContact CD1-CD2 3.78Å; W78-Y146 AromaticContact CD1-CG 3.92Å; W78-Y146 HydrophobicContact CG-CD2 4.36Å; W78-Y146 HydrophobicContact CG-CG 4.38Å; Y146-T273 CarbonylContact O-C 3.48Å; Y146-T273 VanDerWaalsContact O-CA 3.23Å; Y146-T273 WeakPolarHBondContact O-CA 3.49Å; Y146-L274 PolarHBondContact N-O 2.81Å; Y146-L274 PolarHBondContact O-N 3.42Å; Y146-F301 VanDerWaalsContact CB-CZ 3.49Å; Y146-F301 HydrophobicContact CD2-CB 3.97Å; Y146-F301 HydrophobicContact CD2-CD1 4.19Å; Y146-F301 HydrophobicContact CD2-CD2 4.02Å; Y146-F301 AromaticContact CD2-CG 3.81Å; Y146-F301 HydrophobicContact CD2-CG 3.81Å; Y146-F301 HydrophobicContact CG-CD1 4.5Å; Y146-F301 HydrophobicContact CG-CG 4.47Å; Y146-F301 VanDerWaalsContact N-CZ 3.29Å; Y146-L304 HydrophobicContact CD1-CD2 3.6Å; Y146-L304 HydrophobicContact CD2-CD2 3.94Å; Y146-L304 HydrophobicContact CE1-CD2 3.9Å; Y146-L304 HydrophobicContact CE1-CG 4.33Å; Y146-L304 HydrophobicContact CE2-CD2 4.17Å; Y146-L304 HydrophobicContact CE2-CG 4.46Å; Y146-L304 HydrophobicContact CG-CD2 3.64Å; Y146-H305 HydrophobicContact CE2-CB 4.05Å; Y146-H305 AromaticContact CZ-ND1 3.93Å; Y146-H305 VanDerWaalsContact OH-CA 3.31Å; Y146-H305 WeakPolarHBondContact OH-CA 3.33Å; Y146-H305 WeakPolarHBondContact OH-CB 3.3Å; Y146-H305 PolarHBondContact OH-ND1 2.87Å; Y146-L308 HydrophobicContact CE1-CD1 3.75Å |
| 147 | V | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.018 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129.5 | 177.2 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | I58 W78 V141 P149 L152 T273 | I58-V147 HydrophobicContact CD1-CG1 4.48Å; W78-V147 WeakPolarHBondContact CB-O 3.44Å; W78-V147 HydrophobicContact CD2-CB 3.92Å; W78-V147 HydrophobicContact CD2-CG2 4.22Å; W78-V147 HydrophobicContact CE3-CB 3.69Å; W78-V147 HydrophobicContact CE3-CG2 4.11Å; W78-V147 HydrophobicContact CH2-CB 4.29Å; W78-V147 HydrophobicContact CH2-CG2 3.78Å; W78-V147 HydrophobicContact CZ2-CG2 3.91Å; W78-V147 HydrophobicContact CZ3-CB 3.88Å; W78-V147 HydrophobicContact CZ3-CG2 3.88Å; V141-V147 HydrophobicContact CB-CG2 4.45Å; V141-V147 HydrophobicContact CG1-CG2 3.75Å; V141-V147 HydrophobicContact CG2-CG2 4.12Å; V147-P149 VanDerWaalsContact O-CD 3.24Å; V147-P149 WeakPolarHBondContact O-CD 3.34Å; V147-L152 HydrophobicContact CG1-CD2 4.05Å; V147-T273 HydrophobicContact CG2-CG2 4.45Å |
| 148 | N | 98.8 | Very high | 98.4 | Very high | 9 Ų | 9 | 29.1 Ų | 29.1 | 5% | 0.048 | 14% | 0.143 | C | C | . | . | trans | -95.8 | 99.9 | 168.8 | -179.7 | -10.3 | 0 | 0 | 0 | 109.5 | R150 A151 L152 P269 Q271 V272 | N148-R150 VanDerWaalsContact C-N 3.26Å; N148-R150 PolarHBondContact O-N 2.89Å; N148-R150 PolarHBondContact OD1-N 3.05Å; N148-A151 HydrophobicContact CB-CB 4.09Å; N148-A151 PolarHBondContact O-N 3.32Å; N148-A151 PolarHBondContact OD1-N 2.86Å; N148-L152 WeakPolarHBondContact O-CB 3.45Å; N148-L152 PolarHBondContact O-N 2.84Å; N148-P269 PolarHBondContact ND2-O 2.89Å; N148-Q271 WeakPolarHBondContact CB-O 3.5Å; N148-Q271 PolarHBondContact ND2-O 3.36Å; N148-V272 PolarHBondContact N-O 3.1Å | ||
| 149 | P | 98 | Very high | 98.3 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 3% | 0.032 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.4 | -31 | -174.9 | 21.7 | -33 | 0 | 0 | 0 | 113.8 | L53 T82 V147 L153 Y309 | L53-P149 HydrophobicContact CD1-CB 4.12Å; L53-P149 HydrophobicContact CD2-CB 3.86Å; T82-P149 HydrophobicContact CG2-CB 3.44Å; T82-P149 VanDerWaalsContact CG2-CB 3.44Å; T82-P149 HydrophobicContact CG2-CG 3.63Å; V147-P149 VanDerWaalsContact O-CD 3.24Å; V147-P149 WeakPolarHBondContact O-CD 3.34Å; P149-L153 WeakPolarHBondContact O-CB 3.06Å; P149-L153 PolarHBondContact O-N 2.92Å; P149-Y309 WeakPolarHBondContact CG-OH 3.34Å |
| 150 | R | 98.1 | Very high | 98.1 | Very high | 183 Ų | 183 | 34.7 Ų | 34.7 | 69% | 0.691 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -67 | -50.6 | 178.5 | -179 | -178.5 | 176.3 | -179.1 | 0.2 | 110.7 | N148 L152 L153 Q154 | N148-R150 VanDerWaalsContact C-N 3.26Å; N148-R150 PolarHBondContact O-N 2.89Å; N148-R150 PolarHBondContact OD1-N 3.05Å; R150-L152 VanDerWaalsContact C-N 3.32Å; R150-L153 PolarHBondContact O-N 2.97Å; R150-Q154 VanDerWaalsContact O-CG 3.31Å; R150-Q154 WeakPolarHBondContact O-CG 3.37Å; R150-Q154 PolarHBondContact O-N 2.84Å |
| 151 | A | 98.7 | Very high | 97.5 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 3% | 0.033 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.7 | -40.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | N148 Q154 L155 Q271 V272 | N148-A151 HydrophobicContact CB-CB 4.09Å; N148-A151 PolarHBondContact O-N 3.32Å; N148-A151 PolarHBondContact OD1-N 2.86Å; A151-Q154 PolarHBondContact O-N 3.47Å; A151-L155 WeakPolarHBondContact O-CB 3.25Å; A151-L155 PolarHBondContact O-N 2.87Å; A151-Q271 WeakPolarHBondContact CB-O 3.43Å; A151-V272 HydrophobicContact CB-CG2 4.09Å |
| 152 | L | 98.8 | Very high | 97 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57 | -53.9 | 175.1 | 179 | 59.7 | 0 | 0 | 0 | 111.2 | V56 I58 V147 N148 R150 Q154 L155 L156 V272 | V56-L152 HydrophobicContact CG1-CD2 4.17Å; I58-L152 HydrophobicContact CD1-CD2 4.24Å; V147-L152 HydrophobicContact CG1-CD2 4.05Å; N148-L152 WeakPolarHBondContact O-CB 3.45Å; N148-L152 PolarHBondContact O-N 2.84Å; R150-L152 VanDerWaalsContact C-N 3.32Å; L152-Q154 VanDerWaalsContact C-N 3.32Å; L152-Q154 PolarHBondContact O-N 2.74Å; L152-L155 WeakPolarHBondContact O-CB 3.49Å; L152-L155 PolarHBondContact O-N 3.12Å; L152-L156 HydrophobicContact CD1-CD1 3.96Å; L152-L156 HydrophobicContact CD1-CD2 4.37Å; L152-L156 HydrophobicContact CD1-CG 3.99Å; L152-L156 HydrophobicContact CG-CD1 4.08Å; L152-L156 HydrophobicContact CG-CG 4.4Å; L152-L156 WeakPolarHBondContact O-CG 3.22Å; L152-L156 PolarHBondContact O-N 2.92Å; L152-V272 HydrophobicContact CB-CG1 3.98Å; L152-V272 HydrophobicContact CD1-CG1 3.67Å; L152-V272 HydrophobicContact CG-CG1 4.41Å |
| 153 | L | 98.2 | Very high | 96.8 | Very high | 19 Ų | 19 | 45.2 Ų | 45.2 | 10% | 0.099 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.9 | -40.9 | -178.4 | -172.9 | 66.7 | 0 | 0 | 0 | 112 | L51 L53 P149 R150 L156 R157 | L51-L153 HydrophobicContact CD2-CD1 4.09Å; L51-L153 HydrophobicContact CG-CD1 3.97Å; L53-L153 HydrophobicContact CD2-CB 4.16Å; L53-L153 HydrophobicContact CG-CD2 4.17Å; P149-L153 WeakPolarHBondContact O-CB 3.06Å; P149-L153 PolarHBondContact O-N 2.92Å; R150-L153 PolarHBondContact O-N 2.97Å; L153-L156 PolarHBondContact O-N 2.88Å; L153-R157 WeakPolarHBondContact O-CB 3.35Å; L153-R157 VanDerWaalsContact O-CG 3.31Å; L153-R157 WeakPolarHBondContact O-CG 3.42Å; L153-R157 PolarHBondContact O-N 2.95Å |
| 154 | Q | 98.2 | Very high | 96.8 | Very high | 112 Ų | 112 | 47.6 Ų | 47.6 | 52% | 0.523 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.3 | -44.4 | 175.7 | -75.6 | 177.4 | -17.9 | 0 | 0 | 112 | R150 A151 L152 | R150-Q154 VanDerWaalsContact O-CG 3.31Å; R150-Q154 WeakPolarHBondContact O-CG 3.37Å; R150-Q154 PolarHBondContact O-N 2.84Å; A151-Q154 PolarHBondContact O-N 3.47Å; L152-Q154 VanDerWaalsContact C-N 3.32Å; L152-Q154 PolarHBondContact O-N 2.74Å |
| 155 | L | 98.6 | Very high | 96.8 | Very high | 26 Ų | 26 | 47.1 Ų | 47.1 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.3 | -50.5 | 175.1 | 173.4 | 66.9 | 0 | 0 | 0 | 111.2 | A151 L152 R157 A158 F159 V167 L252 F253 V272 | A151-L155 WeakPolarHBondContact O-CB 3.25Å; A151-L155 PolarHBondContact O-N 2.87Å; L152-L155 WeakPolarHBondContact O-CB 3.49Å; L152-L155 PolarHBondContact O-N 3.12Å; L155-R157 VanDerWaalsContact C-N 3.29Å; L155-R157 PolarHBondContact O-N 3.28Å; L155-A158 WeakPolarHBondContact O-CB 3.07Å; L155-A158 PolarHBondContact O-N 3.32Å; L155-A158 VanDerWaalsContact O-N 3.09Å; L155-F159 HydrophobicContact CD1-CE2 4.14Å; L155-F159 HydrophobicContact CD1-CZ 4.17Å; L155-F159 HydrophobicContact CG-CE2 4.12Å; L155-V167 HydrophobicContact CD2-CG2 4.29Å; L155-L252 HydrophobicContact CD1-CD1 4.41Å; L155-F253 HydrophobicContact CD2-CE2 3.4Å; L155-F253 VanDerWaalsContact CD2-CE2 3.4Å; L155-F253 HydrophobicContact CD2-CZ 3.71Å; L155-V272 HydrophobicContact CB-CG2 4.23Å; L155-V272 HydrophobicContact CD2-CG2 3.95Å |
| 156 | L | 98.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.8 | -33.1 | -175.3 | -63.4 | -176.4 | 0 | 0 | 0 | 112.6 | L51 V56 W137 L152 L153 A158 F159 V167 C202 | L51-L156 HydrophobicContact CD2-CB 3.51Å; V56-L156 HydrophobicContact CG1-CD1 4.26Å; V56-L156 HydrophobicContact CG2-CD1 3.91Å; W137-L156 HydrophobicContact CB-CD1 4.05Å; W137-L156 HydrophobicContact CD2-CB 4.43Å; W137-L156 HydrophobicContact CD2-CD1 4.01Å; W137-L156 HydrophobicContact CD2-CD2 3.97Å; W137-L156 HydrophobicContact CD2-CG 4.35Å; W137-L156 HydrophobicContact CE3-CD1 4.36Å; W137-L156 HydrophobicContact CE3-CD2 3.64Å; W137-L156 HydrophobicContact CE3-CG 4.49Å; W137-L156 HydrophobicContact CG-CD1 3.88Å; W137-L156 HydrophobicContact CH2-CD2 4.07Å; W137-L156 HydrophobicContact CZ2-CB 4.36Å; W137-L156 HydrophobicContact CZ2-CD2 4.38Å; W137-L156 HydrophobicContact CZ3-CD2 3.7Å; L152-L156 HydrophobicContact CD1-CD1 3.96Å; L152-L156 HydrophobicContact CD1-CD2 4.37Å; L152-L156 HydrophobicContact CD1-CG 3.99Å; L152-L156 HydrophobicContact CG-CD1 4.08Å; L152-L156 HydrophobicContact CG-CG 4.4Å; L152-L156 WeakPolarHBondContact O-CG 3.22Å; L152-L156 PolarHBondContact O-N 2.92Å; L153-L156 PolarHBondContact O-N 2.88Å; L156-A158 PolarHBondContact O-N 3.42Å; L156-F159 PolarHBondContact O-N 3.47Å; L156-V167 HydrophobicContact CD2-CG1 4.48Å; L156-C202 HydrophobicContact CD2-CB 4.13Å |
| 157 | R | 96.8 | Very high | 96.8 | Very high | 94 Ų | 94 | 47.1 Ų | 47.1 | 36% | 0.355 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.8 | -24.5 | 174.5 | -80.3 | 177.5 | -178.7 | 177.3 | 2 | 113.8 | E50 L51 Q52 L153 L155 F159 | E50-R157 IonicContact OE1-CZ 3.03Å; E50-R157 IonicContact OE1-NE 3.61Å; E50-R157 PolarHBondContact OE1-NE 3.25Å; E50-R157 IonicContact OE1-NH1 3.92Å; E50-R157 PolarHBondContact OE1-NH1 3.13Å; E50-R157 IonicContact OE1-NH2 3.53Å; L51-R157 HydrophobicContact CB-CG 3.94Å; L51-R157 HydrophobicContact CD2-CG 4.17Å; L51-R157 PolarHBondContact O-NE 3.34Å; L51-R157 PolarHBondContact O-NH2 2.99Å; Q52-R157 VanDerWaalsContact OE1-NH2 3.09Å; L153-R157 WeakPolarHBondContact O-CB 3.35Å; L153-R157 VanDerWaalsContact O-CG 3.31Å; L153-R157 WeakPolarHBondContact O-CG 3.42Å; L153-R157 PolarHBondContact O-N 2.95Å; L155-R157 VanDerWaalsContact C-N 3.29Å; L155-R157 PolarHBondContact O-N 3.28Å; R157-F159 VanDerWaalsContact C-N 3.25Å; R157-F159 PolarHBondContact O-N 3.44Å |
| 158 | A | 96.5 | Very high | 96.8 | Very high | 79 Ų | 79 | 47 Ų | 47 | 65% | 0.653 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -15.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L155 L156 | L155-A158 WeakPolarHBondContact O-CB 3.07Å; L155-A158 PolarHBondContact O-N 3.32Å; L155-A158 VanDerWaalsContact O-N 3.09Å; L156-A158 PolarHBondContact O-N 3.42Å |
| 159 | F | 96.8 | Very high | 96.8 | Very high | 35 Ų | 35 | 50 Ų | 50 | 15% | 0.154 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -82 | 141.9 | 179.7 | -64.7 | -64.3 | 0 | 0 | 0 | 112.5 | W137 L155 L156 R157 V165 V167 Q248 | W137-F159 HydrophobicContact CH2-CB 4.27Å; W137-F159 AromaticContact CH2-CD2 3.75Å; W137-F159 HydrophobicContact CH2-CD2 3.75Å; W137-F159 HydrophobicContact CH2-CG 4.29Å; W137-F159 HydrophobicContact CZ2-CB 4.42Å; W137-F159 HydrophobicContact CZ2-CD2 4.35Å; L155-F159 HydrophobicContact CD1-CE2 4.14Å; L155-F159 HydrophobicContact CD1-CZ 4.17Å; L155-F159 HydrophobicContact CG-CE2 4.12Å; L156-F159 PolarHBondContact O-N 3.47Å; R157-F159 VanDerWaalsContact C-N 3.25Å; R157-F159 PolarHBondContact O-N 3.44Å; F159-V165 HydrophobicContact CB-CG2 3.94Å; F159-V165 HydrophobicContact CD1-CG1 4.08Å; F159-V165 HydrophobicContact CD1-CG2 4.27Å; F159-V165 HydrophobicContact CD2-CG1 3.94Å; F159-V165 HydrophobicContact CE1-CG1 4.21Å; F159-V165 HydrophobicContact CE2-CG1 4.03Å; F159-V165 HydrophobicContact CG-CG1 3.96Å; F159-V165 HydrophobicContact CG-CG2 4.03Å; F159-V165 HydrophobicContact CZ-CG1 4.17Å; F159-V167 HydrophobicContact CE2-CB 4.21Å; F159-V167 HydrophobicContact CE2-CG1 4.04Å; F159-V167 HydrophobicContact CE2-CG2 4.24Å; F159-V167 HydrophobicContact CZ-CB 3.98Å; F159-V167 HydrophobicContact CZ-CG1 4.33Å; F159-V167 HydrophobicContact CZ-CG2 3.79Å; F159-Q248 VanDerWaalsContact CD1-OE1 3.32Å |
| 160 | P | 93.3 | Very high | 96.8 | Very high | 87 Ų | 87 | 51.1 Ų | 51.1 | 57% | 0.565 | 26% | 0.262 | S | S | * | . | trans | -58.3 | 139 | 172.3 | -23.5 | 33.4 | 0 | 0 | 0 | 112 | D162 S163 | P160-D162 PolarHBondContact O-N 3.23Å; P160-S163 PolarHBondContact O-N 2.97Å; P160-S163 PolarHBondContact O-OG 2.82Å | ||
| 161 | L | 87.6 | Confident | 96.6 | Very high | 95 Ų | 95 | 44.8 Ų | 44.8 | 50% | 0.497 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -30 | -177.7 | -65.2 | 178.6 | 0 | 0 | 0 | 113.6 | P48 | P48-L161 HydrophobicContact CB-CD1 3.64Å; P48-L161 HydrophobicContact CG-CD1 3.57Å |
| 162 | D | 88.9 | Confident | 96.4 | Very high | 140 Ų | 140 | 48.4 Ų | 48.4 | 75% | 0.749 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 3.9 | -174.9 | -67.8 | -38.9 | 0 | 0 | 0 | 114.3 | P160 K206 | P160-D162 PolarHBondContact O-N 3.23Å; D162-K206 PolarHBondContact O-NZ 3.05Å |
| 163 | S | 94.3 | Very high | 96.1 | Very high | 33 Ų | 33 | 55.3 Ų | 55.3 | 23% | 0.231 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -91.1 | 154.4 | 178.4 | 64.5 | 0 | 0 | 0 | 0 | 112.4 | P160 V165 N204 | P160-S163 PolarHBondContact O-N 2.97Å; P160-S163 PolarHBondContact O-OG 2.82Å; S163-V165 VanDerWaalsContact OG-CG2 3.27Å; S163-V165 WeakPolarHBondContact OG-CG2 3.41Å; S163-N204 PolarHBondContact O-ND2 3.4Å |
| 164 | D | 98.3 | Very high | 96 | Very high | 59 Ų | 59 | 62.2 Ų | 62.2 | 32% | 0.316 | 33% | 0.325 | S | S | . | . | trans | -82.7 | 127.2 | 162.4 | -62.5 | -19.8 | 0 | 0 | 0 | 107.4 | K206 L207 K210 | D164-K206 WeakPolarHBondContact OD1-CD 3.44Å; D164-K206 WeakPolarHBondContact OD1-CE 3.31Å; D164-K206 WeakPolarHBondContact OD1-CG 3.44Å; D164-L207 HydrophobicContact CB-CB 4.08Å; D164-L207 HydrophobicContact CB-CD1 4.18Å; D164-K210 IonicContact OD1-NZ 2.61Å; D164-K210 PolarHBondContact OD1-NZ 2.72Å; D164-K210 IonicContact OD2-NZ 3.93Å; D164-K210 PolarHBondContact OD2-NZ 2.86Å | ||
| 165 | V | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -123.9 | 128.7 | -175 | -176.3 | 0 | 0 | 0 | 0 | 110.5 | W137 F159 S163 V167 I203 N204 L207 | W137-V165 HydrophobicContact CH2-CB 3.65Å; W137-V165 HydrophobicContact CH2-CG1 3.71Å; W137-V165 HydrophobicContact CH2-CG2 3.95Å; W137-V165 HydrophobicContact CZ3-CB 3.87Å; W137-V165 HydrophobicContact CZ3-CG1 3.83Å; F159-V165 HydrophobicContact CB-CG2 3.94Å; F159-V165 HydrophobicContact CD1-CG1 4.08Å; F159-V165 HydrophobicContact CD1-CG2 4.27Å; F159-V165 HydrophobicContact CD2-CG1 3.94Å; F159-V165 HydrophobicContact CE1-CG1 4.21Å; F159-V165 HydrophobicContact CE2-CG1 4.03Å; F159-V165 HydrophobicContact CG-CG1 3.96Å; F159-V165 HydrophobicContact CG-CG2 4.03Å; F159-V165 HydrophobicContact CZ-CG1 4.17Å; S163-V165 VanDerWaalsContact OG-CG2 3.27Å; S163-V165 WeakPolarHBondContact OG-CG2 3.41Å; V165-V167 HydrophobicContact CG1-CB 4.24Å; V165-V167 HydrophobicContact CG1-CG1 4.3Å; V165-I203 WeakPolarHBondContact O-CA 3.43Å; V165-N204 PolarHBondContact N-OD1 2.99Å; V165-N204 PolarHBondContact O-N 3.34Å; V165-L207 WeakPolarHBondContact O-CD2 3.39Å | ||
| 166 | Y | 98.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 0% | 0.004 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 114.4 | 163.7 | 175.7 | -148.1 | 0 | 0 | 0 | 107.6 | A195 F201 C202 I203 I239 L247 Q248 | Y166-A195 HydrophobicContact CE2-CB 3.86Å; Y166-A195 WeakPolarHBondContact OH-CB 3.46Å; Y166-A195 PolarHBondContact OH-N 3.08Å; Y166-F201 HydrophobicContact CD2-CD2 4.43Å; Y166-F201 HydrophobicContact CE2-CB 4.02Å; Y166-F201 AromaticContact CE2-CD2 3.78Å; Y166-F201 HydrophobicContact CE2-CD2 3.78Å; Y166-F201 AromaticContact CE2-CG 3.97Å; Y166-F201 HydrophobicContact CE2-CG 3.97Å; Y166-C202 WeakPolarHBondContact CA-O 3.48Å; Y166-I203 HydrophobicContact CD2-CG2 3.55Å; Y166-I203 HydrophobicContact CE2-CG2 4.31Å; Y166-I203 HydrophobicContact CG-CG2 4.13Å; Y166-I239 HydrophobicContact CD1-CB 4.27Å; Y166-I239 HydrophobicContact CD1-CD1 3.53Å; Y166-I239 HydrophobicContact CD1-CG1 4.49Å; Y166-I239 HydrophobicContact CD1-CG2 3.95Å; Y166-I239 HydrophobicContact CD2-CD1 3.95Å; Y166-I239 HydrophobicContact CE1-CD1 3.88Å; Y166-I239 HydrophobicContact CE2-CD1 4.25Å; Y166-I239 HydrophobicContact CG-CD1 3.55Å; Y166-I239 HydrophobicContact CG-CG2 4.44Å; Y166-L247 HydrophobicContact CD1-CB 4.01Å; Y166-L247 HydrophobicContact CD1-CD1 3.88Å; Y166-L247 HydrophobicContact CD2-CD1 4.34Å; Y166-L247 HydrophobicContact CE1-CB 4.13Å; Y166-L247 HydrophobicContact CE1-CD1 3.86Å; Y166-L247 HydrophobicContact CE2-CD1 4.33Å; Y166-L247 HydrophobicContact CG-CD1 4.14Å; Y166-Q248 WeakPolarHBondContact O-CB 3.29Å; Y166-Q248 PolarHBondContact O-N 2.88Å |
| 167 | V | 98.9 | Very high | 95.8 | Very high | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 138.9 | -173.9 | 62.2 | 0 | 0 | 0 | 0 | 110.6 | L155 L156 F159 V165 F201 C202 Q248 F253 | L155-V167 HydrophobicContact CD2-CG2 4.29Å; L156-V167 HydrophobicContact CD2-CG1 4.48Å; F159-V167 HydrophobicContact CE2-CB 4.21Å; F159-V167 HydrophobicContact CE2-CG1 4.04Å; F159-V167 HydrophobicContact CE2-CG2 4.24Å; F159-V167 HydrophobicContact CZ-CB 3.98Å; F159-V167 HydrophobicContact CZ-CG1 4.33Å; F159-V167 HydrophobicContact CZ-CG2 3.79Å; V165-V167 HydrophobicContact CG1-CB 4.24Å; V165-V167 HydrophobicContact CG1-CG1 4.3Å; V167-F201 CarbonylContact O-C 3.58Å; V167-F201 WeakPolarHBondContact O-CA 3.22Å; V167-F201 WeakPolarHBondContact O-CB 3.46Å; V167-C202 HydrophobicContact CG1-CB 3.9Å; V167-C202 PolarHBondContact N-O 3.5Å; V167-C202 PolarHBondContact O-N 2.86Å; V167-Q248 WeakPolarHBondContact CA-O 3.26Å; V167-Q248 HydrophobicContact CB-CB 4.46Å; V167-Q248 WeakPolarHBondContact CG2-O 3.34Å; V167-F253 HydrophobicContact CG2-CE2 4.08Å |
| 168 | G | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.3 | -170.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q248 P249 S250 | G168-Q248 PolarHBondContact N-O 2.88Å; G168-P249 WeakPolarHBondContact O-CA 3.37Å; G168-S250 PolarHBondContact O-N 3.35Å |
| 169 | R | 98.4 | Very high | 95.6 | Very high | 73 Ų | 73 | 58.8 Ų | 58.8 | 28% | 0.275 | 31% | 0.311 | S | S | . | . | trans | -85.9 | 119.5 | 175.7 | -175.6 | 63.9 | 176.1 | -131.1 | 1.3 | 110.3 | S171 A195 T196 A199 F253 E258 | R169-S171 PolarHBondContact O-N 3.35Å; R169-A195 CarbonylContact O-C 3.58Å; R169-A195 VanDerWaalsContact O-CA 3.22Å; R169-A195 WeakPolarHBondContact O-CA 3.47Å; R169-T196 PolarHBondContact O-N 3.37Å; R169-T196 PolarHBondContact O-OG1 3.39Å; R169-A199 HydrophobicContact CB-CB 3.83Å; R169-F253 HydrophobicContact CB-CB 4.06Å; R169-E258 IonicContact CZ-OE1 3.76Å; R169-E258 IonicContact NE-OE1 3.74Å; R169-E258 PolarHBondContact NE-OE1 2.62Å; R169-E258 VanDerWaalsContact NE-OE1 3.13Å; R169-E258 IonicContact NH1-OE1 3.42Å; R169-E258 PolarHBondContact NH1-OE1 2.81Å; R169-E258 IonicContact NH2-OE1 2.89Å; R169-E258 PolarHBondContact NH2-OE1 3.09Å | ||
| 170 | P | 97.8 | Very high | 95.5 | Very high | 28 Ų | 28 | 57.6 Ų | 57.6 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -59.6 | 132.8 | 171.4 | -19.7 | 31.2 | 0 | 0 | 0 | 110.8 | W193 L247 P249 | P170-W193 HydrophobicContact CB-CE3 4.04Å; P170-W193 HydrophobicContact CB-CZ3 4.26Å; P170-L247 HydrophobicContact CB-CD2 3.91Å; P170-L247 HydrophobicContact CG-CD2 3.78Å; P170-P249 HydrophobicContact CG-CB 3.68Å; P170-P249 HydrophobicContact CG-CG 3.9Å |
| 171 | S | 94 | Very high | 95.5 | Very high | 49 Ų | 49 | 56.5 Ų | 56.5 | 34% | 0.343 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -72 | -32.1 | -175.2 | 172.7 | 0 | 0 | 0 | 0 | 114.4 | R169 F194 T196 | R169-S171 PolarHBondContact O-N 3.35Å; S171-F194 PolarHBondContact N-O 3.34Å; S171-F194 VanDerWaalsContact OG-CZ 3.3Å; S171-F194 WeakPolarHBondContact OG-CZ 3.45Å; S171-T196 WeakPolarHBondContact CA-OG1 3.26Å; S171-T196 VanDerWaalsContact CB-OG1 3.27Å; S171-T196 WeakPolarHBondContact CB-OG1 3.43Å |
| 172 | L | 93.9 | Very high | 95.5 | Very high | 80 Ų | 80 | 55.7 Ų | 55.7 | 42% | 0.419 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -119.2 | 170 | -177.4 | -63.2 | 177.3 | 0 | 0 | 0 | 110 | R174 I176 W193 | L172-R174 WeakPolarHBondContact CB-O 3.45Å; L172-I176 HydrophobicContact CD1-CB 4.12Å; L172-I176 HydrophobicContact CD1-CG1 4.43Å; L172-W193 WeakPolarHBondContact O-CZ3 3.27Å |
| 173 | N | 94.3 | Very high | 95.6 | Very high | 147 Ų | 147 | 53.5 Ų | 53.5 | 79% | 0.786 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -85.4 | 3.9 | 168.7 | 67.2 | -6.4 | 0 | 0 | 0 | 113.1 | ||
| 174 | R | 96.1 | Very high | 95.4 | Very high | 165 Ų | 165 | 60.1 Ų | 60.1 | 62% | 0.623 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -150.4 | 157.7 | 179.3 | 63.6 | -175.1 | 179 | -145.3 | -0.7 | 109.4 | L172 W193 | L172-R174 WeakPolarHBondContact CB-O 3.45Å; R174-W193 VanDerWaalsContact C-CZ3 3.41Å |
| 175 | P | 96.9 | Very high | 94.9 | Very high | 26 Ų | 26 | 65.3 Ų | 65.3 | 17% | 0.169 | 34% | 0.341 | C | S | . | . | trans | -57.9 | 145.6 | 171.7 | -19.1 | 29.5 | 0 | 0 | 0 | 111.5 | Q191 F192 W193 | P175-Q191 HydrophobicContact CB-CG 3.4Å; P175-Q191 HydrophobicContact CG-CG 4.08Å; P175-F192 CarbonylContact C-O 3.57Å; P175-F192 VanDerWaalsContact CA-O 3.27Å; P175-F192 WeakPolarHBondContact CA-O 3.49Å; P175-F192 WeakPolarHBondContact CB-O 3.4Å; P175-W193 HydrophobicContact CB-CD2 4.46Å; P175-W193 VanDerWaalsContact CD-CZ2 3.48Å; P175-W193 HydrophobicContact CG-CD2 4.15Å; P175-W193 HydrophobicContact CG-CG 4.48Å; P175-W193 HydrophobicContact CG-CZ2 3.89Å | ||
| 176 | I | 97.5 | Very high | 94.5 | Very high | 35 Ų | 35 | 73.6 Ų | 73.6 | 18% | 0.179 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 153.5 | 170.1 | -165 | 169.2 | 0 | 0 | 0 | 109.7 | L172 Q191 F192 F194 L229 | L172-I176 HydrophobicContact CD1-CB 4.12Å; L172-I176 HydrophobicContact CD1-CG1 4.43Å; I176-Q191 VanDerWaalsContact O-CA 3.3Å; I176-Q191 WeakPolarHBondContact O-CA 3.12Å; I176-F192 HydrophobicContact CG2-CD1 4.38Å; I176-F192 HydrophobicContact CG2-CD2 3.88Å; I176-F192 HydrophobicContact CG2-CE1 4.05Å; I176-F192 HydrophobicContact CG2-CE2 3.51Å; I176-F192 HydrophobicContact CG2-CG 4.3Å; I176-F192 HydrophobicContact CG2-CZ 3.6Å; I176-F192 PolarHBondContact N-O 2.87Å; I176-F192 PolarHBondContact O-N 3Å; I176-F192 VanDerWaalsContact O-N 3.17Å; I176-F194 HydrophobicContact CB-CD1 4.44Å; I176-F194 HydrophobicContact CB-CE1 4.09Å; I176-F194 HydrophobicContact CD1-CE1 4.22Å; I176-F194 HydrophobicContact CG2-CD1 3.96Å; I176-F194 HydrophobicContact CG2-CE1 4.05Å; I176-L229 HydrophobicContact CD1-CD2 4.37Å |
| 177 | H | 96.3 | Very high | 94.3 | Very high | 99 Ų | 99 | 78 Ų | 78 | 46% | 0.458 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 135.2 | 171.2 | -64 | 76.4 | 0 | 0 | 0 | 109 | L189 V190 Q191 | H177-L189 HydrophobicContact CB-CD1 4.36Å; H177-V190 WeakPolarHBondContact CA-O 3.37Å; H177-Q191 PolarHBondContact CE1-NE2 3.35Å; H177-Q191 PolarHBondContact NE2-NE2 3.14Å |
| 178 | A | 94.9 | Very high | 94 | Very high | 8 Ų | 8 | 82.8 Ų | 82.8 | 7% | 0.066 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 156.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | V190 F192 L229 | A178-V190 HydrophobicContact CB-CG2 3.8Å; A178-V190 PolarHBondContact N-O 3.37Å; A178-V190 VanDerWaalsContact O-CG2 3.29Å; A178-V190 WeakPolarHBondContact O-CG2 3.27Å; A178-V190 PolarHBondContact O-N 3.1Å; A178-F192 HydrophobicContact CB-CE1 3.9Å; A178-F192 HydrophobicContact CB-CZ 4.33Å; A178-L229 HydrophobicContact CB-CD1 3.62Å |
| 179 | S | 93.6 | Very high | 93.9 | Very high | 72 Ų | 72 | 88.5 Ų | 88.5 | 50% | 0.503 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 119.8 | 175.5 | -73.2 | 0 | 0 | 0 | 0 | 109 | ||
| 180 | E | 94.1 | Very high | 93.8 | Very high | 11 Ų | 11 | 85.5 Ų | 85.5 | 5% | 0.051 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 115.5 | 173.8 | -178.7 | -167.3 | -150.6 | 0 | 0 | 109.6 | T187 R188 V190 L226 Y237 K242 | E180-T187 WeakPolarHBondContact O-CA 3.31Å; E180-R188 PolarHBondContact N-O 3.06Å; E180-R188 PolarHBondContact O-N 2.9Å; E180-R188 IonicContact OE1-NH2 3.91Å; E180-R188 PolarHBondContact OE1-NH2 3.35Å; E180-R188 IonicContact OE2-CZ 3.93Å; E180-R188 IonicContact OE2-NE 3.48Å; E180-R188 PolarHBondContact OE2-NE 3.27Å; E180-R188 IonicContact OE2-NH2 3.64Å; E180-R188 PolarHBondContact OE2-NH2 3.21Å; E180-V190 HydrophobicContact CB-CG1 4.3Å; E180-L226 HydrophobicContact CG-CD2 4.16Å; E180-L226 HydrophobicContact CG-CG 4.44Å; E180-Y237 PolarHBondContact OE1-OH 3.22Å; E180-K242 IonicContact OE1-NZ 3.67Å; E180-K242 PolarHBondContact OE1-NZ 2.91Å |
| 181 | P | 92.6 | Very high | 93.8 | Very high | 63 Ų | 63 | 89.3 Ų | 89.3 | 41% | 0.409 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 137.3 | 170.7 | -22.4 | 33.2 | 0 | 0 | 0 | 111.7 | L226 | P181-L226 HydrophobicContact CB-CD1 4.08Å; P181-L226 WeakPolarHBondContact CD-O 3.3Å; P181-L226 HydrophobicContact CG-CD1 4.02Å |
| 182 | Q | 89.5 | Confident | 94 | Very high | 78 Ų | 78 | 87 Ų | 87 | 36% | 0.364 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 163.5 | 175 | -69.8 | -161.3 | -3 | 0 | 0 | 111.1 | R186 R188 | Q182-R186 WeakPolarHBondContact CA-O 3.37Å; Q182-R186 HydrophobicContact CB-CB 4.06Å; Q182-R186 WeakPolarHBondContact CB-O 3.34Å; Q182-R186 PolarHBondContact N-O 3.12Å; Q182-R188 HydrophobicContact CG-CB 4.19Å |
| 183 | P | 89.4 | Confident | 94.2 | Very high | 95 Ų | 95 | 87.3 Ų | 87.3 | 62% | 0.617 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -52 | 151.9 | 170.6 | -27.1 | 36.2 | 0 | 0 | 0 | 112.4 | ||
| 184 | H | 91 | Very high | 94.4 | Very high | 171 Ų | 171 | 80.9 Ų | 80.9 | 79% | 0.792 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | 65.5 | 34.8 | 179.4 | -43.2 | 79.4 | 0 | 0 | 0 | 114.3 | R186 | H184-R186 PolarHBondContact O-N 2.9Å; H184-R186 VanDerWaalsContact O-N 3.11Å |
| 185 | N | 86.8 | Confident | 94.5 | Very high | 168 Ų | 168 | 73 Ų | 73 | 90% | 0.898 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | 55.3 | 28.5 | 178.7 | -62.7 | -20.8 | 0 | 0 | 0 | 113.9 | ||
| 186 | R | 92.1 | Very high | 94.6 | Very high | 174 Ų | 174 | 72.4 Ų | 72.4 | 66% | 0.657 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 155.5 | 172.2 | -66.7 | -177.3 | -179.6 | -178.5 | 0.3 | 109.2 | Q182 H184 | Q182-R186 WeakPolarHBondContact CA-O 3.37Å; Q182-R186 HydrophobicContact CB-CB 4.06Å; Q182-R186 WeakPolarHBondContact CB-O 3.34Å; Q182-R186 PolarHBondContact N-O 3.12Å; H184-R186 PolarHBondContact O-N 2.9Å; H184-R186 VanDerWaalsContact O-N 3.11Å |
| 187 | T | 92.6 | Very high | 94.6 | Very high | 93 Ų | 93 | 70.9 Ų | 70.9 | 57% | 0.571 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 133.2 | 174.5 | -57.2 | 0 | 0 | 0 | 0 | 108.3 | E180 | E180-T187 WeakPolarHBondContact O-CA 3.31Å |
| 188 | R | 94.4 | Very high | 94.6 | Very high | 104 Ų | 104 | 66.7 Ų | 66.7 | 39% | 0.392 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 124.8 | 169.9 | 176.1 | 171.3 | 70.4 | 164 | 9.1 | 109.2 | E180 Q182 V190 | E180-R188 PolarHBondContact N-O 3.06Å; E180-R188 PolarHBondContact O-N 2.9Å; E180-R188 IonicContact OE1-NH2 3.91Å; E180-R188 PolarHBondContact OE1-NH2 3.35Å; E180-R188 IonicContact OE2-CZ 3.93Å; E180-R188 IonicContact OE2-NE 3.48Å; E180-R188 PolarHBondContact OE2-NE 3.27Å; E180-R188 IonicContact OE2-NH2 3.64Å; E180-R188 PolarHBondContact OE2-NH2 3.21Å; Q182-R188 HydrophobicContact CG-CB 4.19Å; R188-V190 HydrophobicContact CG-CG1 4.1Å; R188-V190 PolarHBondContact O-N 3.18Å |
| 189 | L | 95.2 | Very high | 94.8 | Very high | 120 Ų | 120 | 66.3 Ų | 66.3 | 63% | 0.628 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 126.5 | 167 | -171 | 69.4 | 0 | 0 | 0 | 108.1 | H177 | H177-L189 HydrophobicContact CB-CD1 4.36Å |
| 190 | V | 96.4 | Very high | 95 | Very high | 10 Ų | 10 | 62.9 Ų | 62.9 | 6% | 0.061 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 149.6 | 174.6 | -65.7 | 0 | 0 | 0 | 0 | 109.4 | H177 A178 E180 R188 F192 Y237 | H177-V190 WeakPolarHBondContact CA-O 3.37Å; A178-V190 HydrophobicContact CB-CG2 3.8Å; A178-V190 PolarHBondContact N-O 3.37Å; A178-V190 VanDerWaalsContact O-CG2 3.29Å; A178-V190 WeakPolarHBondContact O-CG2 3.27Å; A178-V190 PolarHBondContact O-N 3.1Å; E180-V190 HydrophobicContact CB-CG1 4.3Å; R188-V190 HydrophobicContact CG-CG1 4.1Å; R188-V190 PolarHBondContact O-N 3.18Å; V190-F192 HydrophobicContact CB-CD1 4.49Å; V190-F192 HydrophobicContact CG2-CD1 4.17Å; V190-F192 HydrophobicContact CG2-CE1 3.9Å; V190-Y237 HydrophobicContact CG1-CE2 4.42Å; V190-Y237 HydrophobicContact CG2-CD2 4.23Å; V190-Y237 HydrophobicContact CG2-CE2 3.98Å |
| 191 | Q | 97.6 | Very high | 95.3 | Very high | 108 Ų | 108 | 62.4 Ų | 62.4 | 51% | 0.505 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 127.8 | -179.3 | -174.3 | 179.5 | 13.7 | 0 | 0 | 108.9 | P175 I176 H177 | P175-Q191 HydrophobicContact CB-CG 3.4Å; P175-Q191 HydrophobicContact CG-CG 4.08Å; I176-Q191 VanDerWaalsContact O-CA 3.3Å; I176-Q191 WeakPolarHBondContact O-CA 3.12Å; H177-Q191 PolarHBondContact CE1-NE2 3.35Å; H177-Q191 PolarHBondContact NE2-NE2 3.14Å |
| 192 | F | 98.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 158 | -173.7 | 55.5 | -85.6 | 0 | 0 | 0 | 112.9 | P175 I176 A178 V190 L229 C233 Y237 E240 C241 | P175-F192 CarbonylContact C-O 3.57Å; P175-F192 VanDerWaalsContact CA-O 3.27Å; P175-F192 WeakPolarHBondContact CA-O 3.49Å; P175-F192 WeakPolarHBondContact CB-O 3.4Å; I176-F192 HydrophobicContact CG2-CD1 4.38Å; I176-F192 HydrophobicContact CG2-CD2 3.88Å; I176-F192 HydrophobicContact CG2-CE1 4.05Å; I176-F192 HydrophobicContact CG2-CE2 3.51Å; I176-F192 HydrophobicContact CG2-CG 4.3Å; I176-F192 HydrophobicContact CG2-CZ 3.6Å; I176-F192 PolarHBondContact N-O 2.87Å; I176-F192 PolarHBondContact O-N 3Å; I176-F192 VanDerWaalsContact O-N 3.17Å; A178-F192 HydrophobicContact CB-CE1 3.9Å; A178-F192 HydrophobicContact CB-CZ 4.33Å; V190-F192 HydrophobicContact CB-CD1 4.49Å; V190-F192 HydrophobicContact CG2-CD1 4.17Å; V190-F192 HydrophobicContact CG2-CE1 3.9Å; F192-L229 HydrophobicContact CZ-CD1 3.75Å; F192-C233 WeakPolarHBondContact CE2-O 3.09Å; F192-Y237 HydrophobicContact CD1-CD2 4.13Å; F192-Y237 AromaticContact CE1-CD2 3.77Å; F192-Y237 HydrophobicContact CE1-CD2 3.77Å; F192-Y237 HydrophobicContact CE1-CG 4.4Å; F192-Y237 HydrophobicContact CZ-CD2 4.19Å; F192-Y237 HydrophobicContact CZ-CG 4.39Å; F192-E240 WeakPolarHBondContact CA-OE2 3.36Å; F192-E240 HydrophobicContact CB-CB 3.83Å; F192-E240 HydrophobicContact CB-CG 4.44Å; F192-C241 VanDerWaalsContact CD1-SG 3.51Å |
| 193 | W | 98.6 | Very high | 96 | Very high | 86 Ų | 86 | 55.8 Ų | 55.8 | 33% | 0.326 | 27% | 0.273 | S | S | . | . | trans | -89.6 | 154.4 | 166.9 | -60 | 94.7 | 0 | 0 | 0 | 111.2 | P170 L172 R174 P175 E240 L247 | P170-W193 HydrophobicContact CB-CE3 4.04Å; P170-W193 HydrophobicContact CB-CZ3 4.26Å; L172-W193 WeakPolarHBondContact O-CZ3 3.27Å; R174-W193 VanDerWaalsContact C-CZ3 3.41Å; P175-W193 HydrophobicContact CB-CD2 4.46Å; P175-W193 VanDerWaalsContact CD-CZ2 3.48Å; P175-W193 HydrophobicContact CG-CD2 4.15Å; P175-W193 HydrophobicContact CG-CG 4.48Å; P175-W193 HydrophobicContact CG-CZ2 3.89Å; W193-E240 PolarHBondContact N-OE2 2.92Å; W193-L247 HydrophobicContact CB-CB 4.12Å; W193-L247 HydrophobicContact CB-CD2 4.16Å | ||
| 194 | F | 98.6 | Very high | 96.5 | Very high | 12 Ų | 12 | 51.8 Ų | 51.8 | 5% | 0.053 | 25% | 0.247 | C | C | . | . | trans | -145.4 | 149.4 | 171.8 | 70.2 | -79.3 | 0 | 0 | 0 | 109.6 | S171 I176 D232 C233 | S171-F194 PolarHBondContact N-O 3.34Å; S171-F194 VanDerWaalsContact OG-CZ 3.3Å; S171-F194 WeakPolarHBondContact OG-CZ 3.45Å; I176-F194 HydrophobicContact CB-CD1 4.44Å; I176-F194 HydrophobicContact CB-CE1 4.09Å; I176-F194 HydrophobicContact CD1-CE1 4.22Å; I176-F194 HydrophobicContact CG2-CD1 3.96Å; I176-F194 HydrophobicContact CG2-CE1 4.05Å; F194-D232 HydrophobicContact CD2-CB 4.3Å; F194-C233 WeakPolarHBondContact CE2-SG 3.3Å; F194-C233 VanDerWaalsContact CZ-SG 3.52Å | ||
| 195 | A | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -80.1 | 134.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y166 R169 G197 F201 L247 | Y166-A195 HydrophobicContact CE2-CB 3.86Å; Y166-A195 WeakPolarHBondContact OH-CB 3.46Å; Y166-A195 PolarHBondContact OH-N 3.08Å; R169-A195 CarbonylContact O-C 3.58Å; R169-A195 VanDerWaalsContact O-CA 3.22Å; R169-A195 WeakPolarHBondContact O-CA 3.47Å; A195-G197 PolarHBondContact O-N 2.88Å; A195-F201 HydrophobicContact CB-CB 3.6Å; A195-F201 HydrophobicContact CB-CD1 4.41Å; A195-F201 HydrophobicContact CB-CG 4.24Å; A195-L247 HydrophobicContact CB-CD1 3.87Å; A195-L247 HydrophobicContact CB-CD2 4.4Å |
| 196 | T | 97.9 | Very high | 97.3 | Very high | 12 Ų | 12 | 43 Ų | 43 | 7% | 0.074 | 20% | 0.197 | C | C | . | . | trans | -59.5 | 120.8 | 175.8 | -49.4 | 0 | 0 | 0 | 0 | 110.5 | R169 S171 G198 A199 | R169-T196 PolarHBondContact O-N 3.37Å; R169-T196 PolarHBondContact O-OG1 3.39Å; S171-T196 WeakPolarHBondContact CA-OG1 3.26Å; S171-T196 VanDerWaalsContact CB-OG1 3.27Å; S171-T196 WeakPolarHBondContact CB-OG1 3.43Å; T196-G198 PolarHBondContact O-N 2.95Å; T196-A199 HydrophobicContact CG2-CB 4.44Å; T196-A199 PolarHBondContact O-N 3.25Å; T196-A199 VanDerWaalsContact O-N 3.08Å | ||
| 197 | G | 97.3 | Very high | 97.7 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 4% | 0.041 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -53.4 | -51.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A195 A199 G200 D232 | A195-G197 PolarHBondContact O-N 2.88Å; G197-A199 PolarHBondContact O-N 2.92Å; G197-A199 VanDerWaalsContact O-N 3.09Å; G197-G200 WeakPolarHBondContact O-CA 3.33Å; G197-G200 PolarHBondContact O-N 2.89Å; G197-D232 PolarHBondContact N-OD2 2.91Å |
| 198 | G | 97.2 | Very high | 97.9 | Very high | 11 Ų | 11 | 30.5 Ų | 30.5 | 11% | 0.113 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -72.7 | 3.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | D142 N145 T196 S255 | D142-G198 VanDerWaalsContact OD2-CA 3.26Å; D142-G198 WeakPolarHBondContact OD2-CA 3.36Å; D142-G198 PolarHBondContact OD2-N 3.25Å; N145-G198 PolarHBondContact ND2-O 3.46Å; T196-G198 PolarHBondContact O-N 2.95Å; G198-S255 WeakPolarHBondContact O-CA 3.21Å |
| 199 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -96 | -13.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R169 T196 G197 F253 T273 | R169-A199 HydrophobicContact CB-CB 3.83Å; T196-A199 HydrophobicContact CG2-CB 4.44Å; T196-A199 PolarHBondContact O-N 3.25Å; T196-A199 VanDerWaalsContact O-N 3.08Å; G197-A199 PolarHBondContact O-N 2.92Å; G197-A199 VanDerWaalsContact O-N 3.09Å; A199-F253 HydrophobicContact CB-CB 4.25Å; A199-T273 WeakPolarHBondContact O-CB 3.48Å; A199-T273 PolarHBondContact O-OG1 3.21Å |
| 200 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | 75.9 | 154.7 | -165.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | H140 G197 F253 | H140-G200 WeakPolarHBondContact O-CA 3.38Å; G197-G200 WeakPolarHBondContact O-CA 3.33Å; G197-G200 PolarHBondContact O-N 2.89Å; G200-F253 VanDerWaalsContact O-CD1 3.31Å; G200-F253 WeakPolarHBondContact O-CD1 3.48Å | ||
| 201 | F | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 0% | 0.004 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 161.9 | 175.8 | 64.3 | -100.7 | 0 | 0 | 0 | 110.4 | M123 F138 C139 H140 Y166 V167 A195 M235 | M123-F201 HydrophobicContact CE-CE1 4.32Å; M123-F201 HydrophobicContact CE-CZ 3.92Å; M123-F201 HydrophobicContact SD-CZ 4.33Å; F138-F201 HydrophobicContact CD1-CE2 4.34Å; F138-F201 AromaticContact CE1-CE2 3.93Å; F138-F201 HydrophobicContact CE1-CE2 3.93Å; F138-F201 HydrophobicContact CE1-CZ 4.37Å; C139-F201 CarbonylContact C-O 3.6Å; C139-F201 VanDerWaalsContact CA-O 3.25Å; C139-F201 WeakPolarHBondContact CA-O 3.38Å; H140-F201 HydrophobicContact CB-CD1 4.26Å; H140-F201 HydrophobicContact CB-CD2 4.36Å; H140-F201 HydrophobicContact CB-CE1 3.78Å; H140-F201 HydrophobicContact CB-CE2 3.87Å; H140-F201 HydrophobicContact CB-CZ 3.55Å; H140-F201 AromaticContact CD2-CD1 3.96Å; H140-F201 AromaticContact CD2-CE1 3.41Å; H140-F201 VanDerWaalsContact CD2-CE1 3.41Å; H140-F201 WeakPolarHBondContact CD2-CE1 3.44Å; H140-F201 AromaticContact CG-CE1 3.81Å; H140-F201 AromaticContact CG-CZ 3.93Å; H140-F201 PolarHBondContact N-O 3.14Å; H140-F201 PolarHBondContact O-N 3.49Å; H140-F201 VanDerWaalsContact O-N 3.12Å; Y166-F201 HydrophobicContact CD2-CD2 4.43Å; Y166-F201 HydrophobicContact CE2-CB 4.02Å; Y166-F201 AromaticContact CE2-CD2 3.78Å; Y166-F201 HydrophobicContact CE2-CD2 3.78Å; Y166-F201 AromaticContact CE2-CG 3.97Å; Y166-F201 HydrophobicContact CE2-CG 3.97Å; V167-F201 CarbonylContact O-C 3.58Å; V167-F201 WeakPolarHBondContact O-CA 3.22Å; V167-F201 WeakPolarHBondContact O-CB 3.46Å; A195-F201 HydrophobicContact CB-CB 3.6Å; A195-F201 HydrophobicContact CB-CD1 4.41Å; A195-F201 HydrophobicContact CB-CG 4.24Å; F201-M235 HydrophobicContact CE2-CE 3.61Å; F201-M235 HydrophobicContact CE2-CG 4.36Å; F201-M235 HydrophobicContact CZ-CE 3.95Å; F201-M235 HydrophobicContact CZ-CG 3.89Å |
| 202 | C | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.007 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 147.4 | 174.5 | -53.4 | 0 | 0 | 0 | 0 | 112.8 | W137 F138 C139 L156 Y166 V167 | W137-C202 HydrophobicContact CE3-CB 4.37Å; F138-C202 CarbonylContact O-C 3.5Å; F138-C202 WeakPolarHBondContact O-CA 3.38Å; F138-C202 WeakPolarHBondContact O-CB 3.47Å; C139-C202 HydrophobicContact CB-CB 4.14Å; C139-C202 WeakPolarHBondContact CB-SG 3.42Å; C139-C202 WeakPolarHBondContact SG-CB 3.32Å; C139-C202 CovalentContact SG-SG 2.05Å; C139-C202 PolarHBondContact SG-SG 2.63Å; L156-C202 HydrophobicContact CD2-CB 4.13Å; Y166-C202 WeakPolarHBondContact CA-O 3.48Å; V167-C202 HydrophobicContact CG1-CB 3.9Å; V167-C202 PolarHBondContact N-O 3.5Å; V167-C202 PolarHBondContact O-N 2.86Å |
| 203 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 151.2 | 166.1 | 65.3 | 179.6 | 0 | 0 | 0 | 110.2 | F127 F138 V165 Y166 L207 A208 M211 M235 I239 | F127-I203 HydrophobicContact CD2-CD1 4.37Å; F127-I203 HydrophobicContact CE2-CD1 3.8Å; F138-I203 HydrophobicContact CB-CG1 3.89Å; F138-I203 HydrophobicContact CD1-CD1 4.2Å; F138-I203 HydrophobicContact CD1-CG1 3.9Å; F138-I203 HydrophobicContact CG-CG1 4.35Å; F138-I203 PolarHBondContact N-O 2.93Å; F138-I203 PolarHBondContact O-N 3.11Å; V165-I203 WeakPolarHBondContact O-CA 3.43Å; Y166-I203 HydrophobicContact CD2-CG2 3.55Å; Y166-I203 HydrophobicContact CE2-CG2 4.31Å; Y166-I203 HydrophobicContact CG-CG2 4.13Å; I203-L207 HydrophobicContact CB-CD2 4.31Å; I203-L207 HydrophobicContact CG2-CD2 4.12Å; I203-A208 HydrophobicContact CD1-CB 3.71Å; I203-A208 HydrophobicContact CG1-CB 4.36Å; I203-M211 HydrophobicContact CD1-CE 4.43Å; I203-M211 HydrophobicContact CD1-SD 3.76Å; I203-M235 HydrophobicContact CD1-CE 3.9Å; I203-I239 HydrophobicContact CG2-CD1 4.03Å |
| 204 | N | 98.7 | Very high | 98.5 | Very high | 12 Ų | 12 | 26.4 Ų | 26.4 | 6% | 0.064 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 158.8 | 170.5 | 72 | 3.2 | 0 | 0 | 0 | 111.9 | R136 W137 S163 V165 K206 L207 A208 | R136-N204 CarbonylContact O-C 3.52Å; R136-N204 WeakPolarHBondContact O-CA 3.38Å; W137-N204 HydrophobicContact CD2-CB 3.96Å; W137-N204 HydrophobicContact CE3-CB 3.79Å; W137-N204 HydrophobicContact CH2-CB 3.96Å; W137-N204 HydrophobicContact CZ2-CB 4.1Å; W137-N204 HydrophobicContact CZ3-CB 3.79Å; S163-N204 PolarHBondContact O-ND2 3.4Å; V165-N204 PolarHBondContact N-OD1 2.99Å; V165-N204 PolarHBondContact O-N 3.34Å; N204-K206 PolarHBondContact O-N 2.81Å; N204-L207 PolarHBondContact O-N 2.82Å; N204-L207 VanDerWaalsContact O-N 3.14Å; N204-L207 WeakPolarHBondContact OD1-CB 3.3Å; N204-L207 PolarHBondContact OD1-N 2.8Å; N204-A208 PolarHBondContact O-N 3.29Å |
| 205 | R | 98.3 | Very high | 98.4 | Very high | 65 Ų | 65 | 25.9 Ų | 25.9 | 25% | 0.245 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.3 | -37.9 | -178.3 | -173.7 | 178.4 | -176.8 | 73.7 | 1.9 | 112.5 | F130 L131 L135 R136 L207 A208 L209 | F130-R205 HydrophobicContact CZ-CB 3.98Å; F130-R205 HydrophobicContact CZ-CG 4.41Å; L131-R205 PolarHBondContact O-NH1 2.89Å; L131-R205 PolarHBondContact O-NH2 2.81Å; L135-R205 WeakPolarHBondContact O-CB 3.44Å; L135-R205 WeakPolarHBondContact O-CD 3.47Å; R136-R205 PolarHBondContact O-N 3.31Å; R205-L207 VanDerWaalsContact C-N 3.35Å; R205-L207 PolarHBondContact O-N 3.16Å; R205-A208 PolarHBondContact O-N 3.01Å; R205-L209 HydrophobicContact CG-CD1 4.1Å; R205-L209 HydrophobicContact CG-CG 4.24Å; R205-L209 WeakPolarHBondContact O-CG 3.25Å; R205-L209 PolarHBondContact O-N 3.02Å |
| 206 | K | 98 | Very high | 98.3 | Very high | 90 Ų | 90 | 27.8 Ų | 27.8 | 39% | 0.391 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -58.1 | -46.9 | 178.9 | -173 | -178.5 | 176.1 | 169.7 | 0 | 111.4 | D162 D164 N204 | D162-K206 PolarHBondContact O-NZ 3.05Å; D164-K206 WeakPolarHBondContact OD1-CD 3.44Å; D164-K206 WeakPolarHBondContact OD1-CE 3.31Å; D164-K206 WeakPolarHBondContact OD1-CG 3.44Å; N204-K206 PolarHBondContact O-N 2.81Å |
| 207 | L | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.7 | -46 | 174.7 | 179.4 | 56.1 | 0 | 0 | 0 | 111.4 | D164 V165 I203 N204 R205 L209 K210 M211 I239 L243 | D164-L207 HydrophobicContact CB-CB 4.08Å; D164-L207 HydrophobicContact CB-CD1 4.18Å; V165-L207 WeakPolarHBondContact O-CD2 3.39Å; I203-L207 HydrophobicContact CB-CD2 4.31Å; I203-L207 HydrophobicContact CG2-CD2 4.12Å; N204-L207 PolarHBondContact O-N 2.82Å; N204-L207 VanDerWaalsContact O-N 3.14Å; N204-L207 WeakPolarHBondContact OD1-CB 3.3Å; N204-L207 PolarHBondContact OD1-N 2.8Å; R205-L207 VanDerWaalsContact C-N 3.35Å; R205-L207 PolarHBondContact O-N 3.16Å; L207-L209 VanDerWaalsContact C-N 3.31Å; L207-L209 PolarHBondContact O-N 3.29Å; L207-K210 WeakPolarHBondContact O-CA 3.28Å; L207-K210 WeakPolarHBondContact O-CB 3.44Å; L207-K210 PolarHBondContact O-N 3.1Å; L207-M211 HydrophobicContact CD1-CG 4.35Å; L207-M211 HydrophobicContact CG-CG 4.39Å; L207-M211 HydrophobicContact CG-SD 4.02Å; L207-M211 WeakPolarHBondContact O-CG 3.4Å; L207-M211 PolarHBondContact O-N 3.09Å; L207-I239 HydrophobicContact CD1-CG1 4.46Å; L207-I239 HydrophobicContact CD1-CG2 4.44Å; L207-I239 HydrophobicContact CD2-CD1 4.06Å; L207-I239 HydrophobicContact CD2-CG1 4.15Å; L207-I239 HydrophobicContact CD2-CG2 4.1Å; L207-I239 HydrophobicContact CG-CG1 4.49Å; L207-L243 HydrophobicContact CD1-CD1 3.78Å |
| 208 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.8 | -41.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.7 | F127 F130 L131 I203 N204 R205 K210 M211 A212 | F127-A208 HydrophobicContact CE2-CB 3.87Å; F127-A208 HydrophobicContact CZ-CB 3.89Å; F127-A208 VanDerWaalsContact CZ-O 3.32Å; F127-A208 WeakPolarHBondContact CZ-O 3.24Å; F130-A208 HydrophobicContact CD1-CB 4.19Å; F130-A208 HydrophobicContact CE1-CB 3.58Å; L131-A208 HydrophobicContact CD2-CB 3.88Å; I203-A208 HydrophobicContact CD1-CB 3.71Å; I203-A208 HydrophobicContact CG1-CB 4.36Å; N204-A208 PolarHBondContact O-N 3.29Å; R205-A208 PolarHBondContact O-N 3.01Å; A208-K210 PolarHBondContact O-N 3.14Å; A208-M211 WeakPolarHBondContact O-CB 3.47Å; A208-M211 PolarHBondContact O-N 3.21Å; A208-A212 PolarHBondContact O-N 3.34Å; A208-A212 VanDerWaalsContact O-N 3.16Å |
| 209 | L | 98.6 | Very high | 97.8 | Very high | 93 Ų | 93 | 37.6 Ų | 37.6 | 49% | 0.487 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.9 | -36.1 | 175.5 | -73.3 | 170.4 | 0 | 0 | 0 | 112.3 | L131 R205 L207 M211 A212 | L131-L209 HydrophobicContact CD2-CD2 4.07Å; L131-L209 HydrophobicContact CD2-CG 4.41Å; R205-L209 HydrophobicContact CG-CD1 4.1Å; R205-L209 HydrophobicContact CG-CG 4.24Å; R205-L209 WeakPolarHBondContact O-CG 3.25Å; R205-L209 PolarHBondContact O-N 3.02Å; L207-L209 VanDerWaalsContact C-N 3.31Å; L207-L209 PolarHBondContact O-N 3.29Å; L209-M211 VanDerWaalsContact C-N 3.34Å; L209-A212 WeakPolarHBondContact O-CB 3.37Å; L209-A212 PolarHBondContact O-N 2.88Å |
| 210 | K | 98.8 | Very high | 97.8 | Very high | 86 Ų | 86 | 37.6 Ų | 37.6 | 37% | 0.374 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -71.7 | -29 | 174.7 | -65.6 | 171.9 | 176.9 | 173.7 | 0 | 112.4 | D164 L207 A208 A212 P213 L243 | D164-K210 IonicContact OD1-NZ 2.61Å; D164-K210 PolarHBondContact OD1-NZ 2.72Å; D164-K210 IonicContact OD2-NZ 3.93Å; D164-K210 PolarHBondContact OD2-NZ 2.86Å; L207-K210 WeakPolarHBondContact O-CA 3.28Å; L207-K210 WeakPolarHBondContact O-CB 3.44Å; L207-K210 PolarHBondContact O-N 3.1Å; A208-K210 PolarHBondContact O-N 3.14Å; K210-A212 VanDerWaalsContact C-N 3.31Å; K210-P213 WeakPolarHBondContact O-CD 3.4Å; K210-L243 HydrophobicContact CB-CD1 3.9Å; K210-L243 HydrophobicContact CB-CD2 4.07Å |
| 211 | M | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -74.5 | -20.3 | 176.7 | -64 | 169.4 | 65.5 | 0 | 0 | 112.9 | F127 I203 L207 A208 L209 P213 W214 A215 M235 I238 I239 L243 | F127-M211 HydrophobicContact CE2-CB 4.36Å; F127-M211 HydrophobicContact CE2-CE 4.13Å; F127-M211 HydrophobicContact CE2-SD 4.23Å; F127-M211 HydrophobicContact CZ-CB 3.87Å; I203-M211 HydrophobicContact CD1-CE 4.43Å; I203-M211 HydrophobicContact CD1-SD 3.76Å; L207-M211 HydrophobicContact CD1-CG 4.35Å; L207-M211 HydrophobicContact CG-CG 4.39Å; L207-M211 HydrophobicContact CG-SD 4.02Å; L207-M211 WeakPolarHBondContact O-CG 3.4Å; L207-M211 PolarHBondContact O-N 3.09Å; A208-M211 WeakPolarHBondContact O-CB 3.47Å; A208-M211 PolarHBondContact O-N 3.21Å; L209-M211 VanDerWaalsContact C-N 3.34Å; M211-P213 VanDerWaalsContact C-N 3.32Å; M211-P213 WeakPolarHBondContact O-CD 3.48Å; M211-P213 VanDerWaalsContact O-N 3.1Å; M211-W214 PolarHBondContact O-N 2.92Å; M211-A215 HydrophobicContact CB-CB 4.11Å; M211-A215 WeakPolarHBondContact O-CB 3.48Å; M211-A215 PolarHBondContact O-N 3.18Å; M211-M235 HydrophobicContact CE-CE 3.71Å; M211-M235 HydrophobicContact CE-SD 3.64Å; M211-I238 HydrophobicContact CB-CG2 3.93Å; M211-I238 HydrophobicContact CE-CB 4.37Å; M211-I238 HydrophobicContact CE-CG2 4.18Å; M211-I238 HydrophobicContact CG-CG2 3.85Å; M211-I239 HydrophobicContact CE-CD1 3.88Å; M211-I239 HydrophobicContact CE-CG1 3.77Å; M211-I239 HydrophobicContact CG-CG1 4.16Å; M211-I239 HydrophobicContact SD-CD1 3.8Å; M211-I239 HydrophobicContact SD-CG1 3.57Å; M211-I239 VanDerWaalsContact SD-CG1 3.57Å; M211-L243 HydrophobicContact CB-CD1 4.36Å; M211-L243 HydrophobicContact CG-CD1 3.53Å |
| 212 | A | 98.2 | Very high | 97.7 | Very high | 25 Ų | 25 | 45.5 Ų | 45.5 | 21% | 0.207 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -48.5 | -38.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | L131 A208 L209 K210 W214 A215 S216 | L131-A212 HydrophobicContact CD1-CB 4.4Å; A208-A212 PolarHBondContact O-N 3.34Å; A208-A212 VanDerWaalsContact O-N 3.16Å; L209-A212 WeakPolarHBondContact O-CB 3.37Å; L209-A212 PolarHBondContact O-N 2.88Å; K210-A212 VanDerWaalsContact C-N 3.31Å; A212-W214 PolarHBondContact O-N 2.84Å; A212-A215 PolarHBondContact O-N 3.35Å; A212-S216 PolarHBondContact O-N 3.42Å |
| 213 | P | 98.4 | Very high | 97.6 | Very high | 64 Ų | 64 | 46 Ų | 46 | 42% | 0.416 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.5 | -13.5 | 176.5 | -23.1 | 35.4 | 0 | 0 | 0 | 115.4 | K210 M211 R219 | K210-P213 WeakPolarHBondContact O-CD 3.4Å; M211-P213 VanDerWaalsContact C-N 3.32Å; M211-P213 WeakPolarHBondContact O-CD 3.48Å; M211-P213 VanDerWaalsContact O-N 3.1Å; P213-R219 VanDerWaalsContact O-CD 3.27Å; P213-R219 WeakPolarHBondContact O-CD 3.37Å; P213-R219 PolarHBondContact O-NH1 3.46Å |
| 214 | W | 98.6 | Very high | 97.5 | Very high | 76 Ų | 76 | 46.1 Ų | 46.1 | 29% | 0.288 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -122.2 | -16.7 | 176.1 | -58.6 | -83.5 | 0 | 0 | 0 | 113.5 | M211 A212 R219 F220 T223 I238 K242 L243 | M211-W214 PolarHBondContact O-N 2.92Å; A212-W214 PolarHBondContact O-N 2.84Å; W214-R219 CarbonylContact O-C 3.02Å; W214-R219 WeakPolarHBondContact O-CB 3.4Å; W214-F220 WeakPolarHBondContact O-CA 3.38Å; W214-F220 PolarHBondContact O-N 3.19Å; W214-T223 PolarHBondContact O-OG1 3.06Å; W214-I238 HydrophobicContact CB-CD1 3.81Å; W214-I238 HydrophobicContact CB-CG1 3.85Å; W214-I238 HydrophobicContact CB-CG2 4Å; W214-I238 HydrophobicContact CE3-CG2 4.26Å; W214-I238 HydrophobicContact CG-CG2 4.48Å; W214-K242 HydrophobicContact CD2-CB 4.02Å; W214-K242 HydrophobicContact CD2-CG 4.13Å; W214-K242 HydrophobicContact CE3-CB 4.27Å; W214-K242 HydrophobicContact CG-CG 4.25Å; W214-K242 HydrophobicContact CH2-CB 4.22Å; W214-K242 HydrophobicContact CZ2-CB 3.96Å; W214-K242 HydrophobicContact CZ2-CG 4.44Å; W214-K242 HydrophobicContact CZ3-CB 4.38Å; W214-L243 HydrophobicContact CE3-CD2 4.45Å; W214-L243 HydrophobicContact CH2-CD2 4.16Å; W214-L243 HydrophobicContact CZ3-CD2 3.61Å; W214-L243 HydrophobicContact CZ3-CG 4.33Å |
| 215 | A | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -117.2 | -21.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | F127 M211 A212 F220 I238 | F127-A215 HydrophobicContact CD1-CB 3.93Å; F127-A215 HydrophobicContact CE1-CB 3.57Å; F127-A215 HydrophobicContact CE2-CB 4.2Å; F127-A215 HydrophobicContact CG-CB 4.37Å; F127-A215 HydrophobicContact CZ-CB 3.72Å; M211-A215 HydrophobicContact CB-CB 4.11Å; M211-A215 WeakPolarHBondContact O-CB 3.48Å; M211-A215 PolarHBondContact O-N 3.18Å; A212-A215 PolarHBondContact O-N 3.35Å; A215-F220 HydrophobicContact CB-CD2 3.96Å; A215-F220 WeakPolarHBondContact O-CB 3.36Å; A215-I238 HydrophobicContact CB-CD1 4.04Å |
| 216 | S | 95.3 | Very high | 97.2 | Very high | 40 Ų | 40 | 48 Ų | 48 | 28% | 0.28 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -89 | 143.9 | -175.9 | -173.2 | 0 | 0 | 0 | 0 | 112.4 | D128 A212 R219 | D128-S216 WeakPolarHBondContact OD1-CA 3.4Å; D128-S216 WeakPolarHBondContact OD1-CB 3.45Å; D128-S216 PolarHBondContact OD1-OG 3.43Å; A212-S216 PolarHBondContact O-N 3.42Å; S216-R219 WeakPolarHBondContact O-CB 3.32Å; S216-R219 VanDerWaalsContact O-CG 3.3Å; S216-R219 WeakPolarHBondContact O-CG 3.5Å; S216-R219 PolarHBondContact O-N 2.84Å |
| 217 | G | 92.7 | Very high | 97.1 | Very high | 31 Ų | 31 | 44.1 Ų | 44.1 | 32% | 0.32 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | -139.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D128 R219 | D128-G217 PolarHBondContact OD1-N 3.36Å; D128-G217 VanDerWaalsContact OD2-CA 3.25Å; D128-G217 WeakPolarHBondContact OD2-CA 3.49Å; D128-G217 PolarHBondContact OD2-N 3.17Å; G217-R219 PolarHBondContact O-N 3.36Å; G217-R219 VanDerWaalsContact O-N 3.16Å |
| 218 | S | 92.9 | Very high | 96.9 | Very high | 69 Ų | 69 | 53.5 Ų | 53.5 | 48% | 0.483 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -15.2 | 179.4 | 66.6 | 0 | 0 | 0 | 0 | 114 | F220 M221 D222 | S218-F220 VanDerWaalsContact C-N 3.29Å; S218-F220 PolarHBondContact O-N 3.43Å; S218-M221 WeakPolarHBondContact O-CB 3.41Å; S218-M221 PolarHBondContact O-N 2.9Å; S218-M221 VanDerWaalsContact O-N 3.12Å; S218-D222 PolarHBondContact O-N 3.48Å; S218-D222 VanDerWaalsContact O-N 3.15Å; S218-D222 PolarHBondContact OG-OD2 3.01Å |
| 219 | R | 97.8 | Very high | 96.8 | Very high | 133 Ų | 133 | 54.9 Ų | 54.9 | 50% | 0.502 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.8 | -29.8 | -167.4 | -59.2 | 178.8 | 176.7 | -121.6 | -2.4 | 113.4 | P213 W214 S216 G217 M221 D222 T223 | P213-R219 VanDerWaalsContact O-CD 3.27Å; P213-R219 WeakPolarHBondContact O-CD 3.37Å; P213-R219 PolarHBondContact O-NH1 3.46Å; W214-R219 CarbonylContact O-C 3.02Å; W214-R219 WeakPolarHBondContact O-CB 3.4Å; S216-R219 WeakPolarHBondContact O-CB 3.32Å; S216-R219 VanDerWaalsContact O-CG 3.3Å; S216-R219 WeakPolarHBondContact O-CG 3.5Å; S216-R219 PolarHBondContact O-N 2.84Å; G217-R219 PolarHBondContact O-N 3.36Å; G217-R219 VanDerWaalsContact O-N 3.16Å; R219-M221 VanDerWaalsContact C-N 3.32Å; R219-D222 PolarHBondContact O-N 3.02Å; R219-T223 WeakPolarHBondContact O-CB 3.44Å; R219-T223 PolarHBondContact O-N 3.05Å; R219-T223 PolarHBondContact O-OG1 3.16Å |
| 220 | F | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 176.2 | -166.3 | -92.7 | 0 | 0 | 0 | 111.1 | S120 M123 A124 W214 A215 S218 T223 S224 D231 T234 M235 I238 | S120-F220 VanDerWaalsContact O-CD1 3.32Å; S120-F220 WeakPolarHBondContact O-CD1 3.45Å; M123-F220 HydrophobicContact CB-CD1 4.29Å; M123-F220 HydrophobicContact CB-CE1 3.75Å; M123-F220 HydrophobicContact CB-CZ 4.12Å; M123-F220 HydrophobicContact CG-CD1 4.23Å; M123-F220 HydrophobicContact CG-CE1 3.52Å; M123-F220 HydrophobicContact CG-CE2 3.96Å; M123-F220 HydrophobicContact CG-CZ 3.35Å; A124-F220 HydrophobicContact CB-CB 3.87Å; A124-F220 HydrophobicContact CB-CG 4.47Å; W214-F220 WeakPolarHBondContact O-CA 3.38Å; W214-F220 PolarHBondContact O-N 3.19Å; A215-F220 HydrophobicContact CB-CD2 3.96Å; A215-F220 WeakPolarHBondContact O-CB 3.36Å; S218-F220 VanDerWaalsContact C-N 3.29Å; S218-F220 PolarHBondContact O-N 3.43Å; F220-T223 PolarHBondContact O-N 3.28Å; F220-S224 WeakPolarHBondContact O-CB 3.03Å; F220-S224 PolarHBondContact O-N 2.96Å; F220-D231 HydrophobicContact CE1-CB 3.86Å; F220-D231 HydrophobicContact CZ-CB 4.18Å; F220-D231 WeakPolarHBondContact CZ-O 3.29Å; F220-T234 HydrophobicContact CD1-CG2 4.48Å; F220-T234 HydrophobicContact CD2-CG2 4.23Å; F220-T234 HydrophobicContact CE1-CG2 4.06Å; F220-T234 HydrophobicContact CE2-CG2 3.77Å; F220-T234 HydrophobicContact CZ-CG2 3.69Å; F220-M235 HydrophobicContact CE2-CG 4.08Å; F220-M235 HydrophobicContact CE2-SD 3.5Å; F220-M235 WeakPolarHBondContact CE2-SD 3.46Å; F220-M235 HydrophobicContact CZ-CG 4.08Å; F220-M235 HydrophobicContact CZ-SD 4.05Å; F220-I238 HydrophobicContact CD2-CD1 4.18Å; F220-I238 HydrophobicContact CE2-CD1 4.24Å |
| 221 | M | 97.5 | Very high | 96.6 | Very high | 69 Ų | 69 | 49.3 Ų | 49.3 | 34% | 0.34 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 176.5 | -63.9 | 179.5 | -74.6 | 0 | 0 | 110.9 | C121 S218 R219 T223 S224 A225 | C121-M221 HydrophobicContact CB-CG 4.39Å; C121-M221 HydrophobicContact CB-SD 3.68Å; S218-M221 WeakPolarHBondContact O-CB 3.41Å; S218-M221 PolarHBondContact O-N 2.9Å; S218-M221 VanDerWaalsContact O-N 3.12Å; R219-M221 VanDerWaalsContact C-N 3.32Å; M221-T223 VanDerWaalsContact C-N 3.29Å; M221-T223 PolarHBondContact O-N 3.46Å; M221-S224 PolarHBondContact O-N 3.41Å; M221-A225 VanDerWaalsContact O-CB 3.26Å; M221-A225 WeakPolarHBondContact O-CB 3.3Å; M221-A225 PolarHBondContact O-N 3.27Å |
| 222 | D | 97.3 | Very high | 96.5 | Very high | 98 Ų | 98 | 50.5 Ų | 50.5 | 52% | 0.524 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60 | -41.2 | 176.2 | -60.9 | -33.8 | 0 | 0 | 0 | 111.4 | S218 R219 A225 L226 | S218-D222 PolarHBondContact O-N 3.48Å; S218-D222 VanDerWaalsContact O-N 3.15Å; S218-D222 PolarHBondContact OG-OD2 3.01Å; R219-D222 PolarHBondContact O-N 3.02Å; D222-A225 PolarHBondContact O-N 3.17Å; D222-L226 WeakPolarHBondContact O-CB 3.49Å; D222-L226 PolarHBondContact O-N 3.43Å |
| 223 | T | 97.5 | Very high | 96.5 | Very high | 12 Ų | 12 | 49.6 Ų | 49.6 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70 | -43.6 | 178.8 | -57 | 0 | 0 | 0 | 0 | 111.8 | W214 R219 F220 M221 A225 L226 I227 T234 Y237 I238 | W214-T223 PolarHBondContact O-OG1 3.06Å; R219-T223 WeakPolarHBondContact O-CB 3.44Å; R219-T223 PolarHBondContact O-N 3.05Å; R219-T223 PolarHBondContact O-OG1 3.16Å; F220-T223 PolarHBondContact O-N 3.28Å; M221-T223 VanDerWaalsContact C-N 3.29Å; M221-T223 PolarHBondContact O-N 3.46Å; T223-A225 VanDerWaalsContact C-N 3.34Å; T223-L226 WeakPolarHBondContact O-CB 3.42Å; T223-L226 PolarHBondContact O-N 2.81Å; T223-I227 WeakPolarHBondContact O-CG1 3.21Å; T223-I227 PolarHBondContact O-N 3.03Å; T223-T234 HydrophobicContact CG2-CG2 4.02Å; T223-Y237 HydrophobicContact CG2-CD1 3.8Å; T223-Y237 HydrophobicContact CG2-CE1 3.71Å; T223-I238 HydrophobicContact CG2-CD1 4.08Å; T223-I238 HydrophobicContact CG2-CG1 3.84Å |
| 224 | S | 96.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.9 | -46.5 | 172.6 | 166.3 | 0 | 0 | 0 | 0 | 110.9 | S120 F220 M221 L226 I227 R228 L229 T234 | S120-S224 WeakPolarHBondContact OG-CB 3.5Å; S120-S224 PolarHBondContact OG-OG 3.42Å; F220-S224 WeakPolarHBondContact O-CB 3.03Å; F220-S224 PolarHBondContact O-N 2.96Å; M221-S224 PolarHBondContact O-N 3.41Å; S224-L226 VanDerWaalsContact C-N 3.32Å; S224-L226 PolarHBondContact O-N 3.44Å; S224-I227 PolarHBondContact O-N 2.88Å; S224-R228 WeakPolarHBondContact O-CA 3.35Å; S224-R228 PolarHBondContact O-N 3.38Å; S224-L229 PolarHBondContact O-N 3.45Å; S224-L229 PolarHBondContact OG-O 3.37Å; S224-T234 WeakPolarHBondContact CA-OG1 3.19Å; S224-T234 WeakPolarHBondContact CB-OG1 3.32Å |
| 225 | A | 96 | Very high | 96.5 | Very high | 57 Ų | 57 | 42.9 Ų | 42.9 | 47% | 0.471 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.1 | -36.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | M221 D222 T223 R228 | M221-A225 VanDerWaalsContact O-CB 3.26Å; M221-A225 WeakPolarHBondContact O-CB 3.3Å; M221-A225 PolarHBondContact O-N 3.27Å; D222-A225 PolarHBondContact O-N 3.17Å; T223-A225 VanDerWaalsContact C-N 3.34Å; A225-R228 WeakPolarHBondContact O-CG 3.41Å; A225-R228 PolarHBondContact O-N 3.24Å |
| 226 | L | 95.3 | Very high | 96.5 | Very high | 61 Ų | 61 | 42.9 Ų | 42.9 | 32% | 0.319 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.7 | -48 | 176.1 | 177.3 | 69.2 | 0 | 0 | 0 | 111.6 | E180 P181 D222 T223 S224 | E180-L226 HydrophobicContact CG-CD2 4.16Å; E180-L226 HydrophobicContact CG-CG 4.44Å; P181-L226 HydrophobicContact CB-CD1 4.08Å; P181-L226 WeakPolarHBondContact CD-O 3.3Å; P181-L226 HydrophobicContact CG-CD1 4.02Å; D222-L226 WeakPolarHBondContact O-CB 3.49Å; D222-L226 PolarHBondContact O-N 3.43Å; T223-L226 WeakPolarHBondContact O-CB 3.42Å; T223-L226 PolarHBondContact O-N 2.81Å; S224-L226 VanDerWaalsContact C-N 3.32Å; S224-L226 PolarHBondContact O-N 3.44Å |
| 227 | I | 95.7 | Very high | 96.7 | Very high | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -90.7 | -11.7 | -177.6 | 66.2 | -178.8 | 0 | 0 | 0 | 113.3 | T223 S224 L229 Y237 | T223-I227 WeakPolarHBondContact O-CG1 3.21Å; T223-I227 PolarHBondContact O-N 3.03Å; S224-I227 PolarHBondContact O-N 2.88Å; I227-L229 VanDerWaalsContact C-N 3.31Å; I227-L229 HydrophobicContact CD1-CB 4.02Å; I227-L229 HydrophobicContact CD1-CD1 4.13Å; I227-L229 HydrophobicContact CD1-CG 4.44Å; I227-L229 HydrophobicContact CG1-CB 3.92Å; I227-L229 HydrophobicContact CG1-CD1 4.3Å; I227-L229 HydrophobicContact CG1-CG 4.2Å; I227-L229 PolarHBondContact O-N 2.86Å; I227-Y237 HydrophobicContact CD1-CD1 3.76Å; I227-Y237 HydrophobicContact CD1-CD2 4.35Å; I227-Y237 HydrophobicContact CD1-CE1 4.47Å; I227-Y237 HydrophobicContact CD1-CG 3.66Å; I227-Y237 HydrophobicContact CG2-CD1 3.98Å; I227-Y237 HydrophobicContact CG2-CD2 4.06Å; I227-Y237 HydrophobicContact CG2-CE1 3.68Å; I227-Y237 HydrophobicContact CG2-CE2 3.76Å; I227-Y237 HydrophobicContact CG2-CG 4.14Å |
| 228 | R | 95.1 | Very high | 97 | Very high | 199 Ų | 199 | 39.5 Ų | 39.5 | 75% | 0.751 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 42.3 | -177.8 | -54.5 | 179.6 | -179.2 | -170.4 | -1 | 113 | S224 A225 | S224-R228 WeakPolarHBondContact O-CA 3.35Å; S224-R228 PolarHBondContact O-N 3.38Å; A225-R228 WeakPolarHBondContact O-CG 3.41Å; A225-R228 PolarHBondContact O-N 3.24Å |
| 229 | L | 95.3 | Very high | 97.3 | Very high | 29 Ų | 29 | 36.3 Ų | 36.3 | 15% | 0.152 | 18% | 0.179 | C | C | . | . | trans | -123 | 159.8 | 179.5 | -66 | 175.4 | 0 | 0 | 0 | 111.5 | I176 A178 F192 S224 I227 C233 | I176-L229 HydrophobicContact CD1-CD2 4.37Å; A178-L229 HydrophobicContact CB-CD1 3.62Å; F192-L229 HydrophobicContact CZ-CD1 3.75Å; S224-L229 PolarHBondContact O-N 3.45Å; S224-L229 PolarHBondContact OG-O 3.37Å; I227-L229 VanDerWaalsContact C-N 3.31Å; I227-L229 HydrophobicContact CD1-CB 4.02Å; I227-L229 HydrophobicContact CD1-CD1 4.13Å; I227-L229 HydrophobicContact CD1-CG 4.44Å; I227-L229 HydrophobicContact CG1-CB 3.92Å; I227-L229 HydrophobicContact CG1-CD1 4.3Å; I227-L229 HydrophobicContact CG1-CG 4.2Å; I227-L229 PolarHBondContact O-N 2.86Å; L229-C233 HydrophobicContact CB-CB 3.59Å; L229-C233 HydrophobicContact CD1-CB 4.06Å; L229-C233 HydrophobicContact CG-CB 4.38Å | ||
| 230 | P | 95.7 | Very high | 97.3 | Very high | 51 Ų | 51 | 31.6 Ų | 31.6 | 33% | 0.331 | 16% | 0.163 | S | C | . | . | trans | -58.5 | 172 | 175 | -22.9 | 34.2 | 0 | 0 | 0 | 113.9 | C233 T234 | P230-C233 PolarHBondContact O-N 2.89Å; P230-T234 WeakPolarHBondContact O-CB 3.41Å; P230-T234 PolarHBondContact O-N 2.92Å; P230-T234 PolarHBondContact O-OG1 3.28Å | ||
| 231 | D | 97.4 | Very high | 97.3 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 6% | 0.064 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.8 | -43.4 | -177.3 | 58.4 | -28.5 | 0 | 0 | 0 | 112.5 | K61 L119 M123 F220 C233 T234 M235 | K61-D231 WeakPolarHBondContact CE-OD2 3.31Å; K61-D231 IonicContact NZ-OD2 2.72Å; K61-D231 PolarHBondContact NZ-OD2 3.34Å; L119-D231 HydrophobicContact CB-CB 4.44Å; M123-D231 HydrophobicContact CB-CB 3.85Å; M123-D231 HydrophobicContact CG-CB 4.13Å; F220-D231 HydrophobicContact CE1-CB 3.86Å; F220-D231 HydrophobicContact CZ-CB 4.18Å; F220-D231 WeakPolarHBondContact CZ-O 3.29Å; D231-C233 PolarHBondContact O-N 2.96Å; D231-T234 WeakPolarHBondContact O-CA 3.4Å; D231-T234 WeakPolarHBondContact O-CB 3.25Å; D231-T234 PolarHBondContact O-N 3.32Å; D231-T234 VanDerWaalsContact O-N 3.1Å; D231-M235 WeakPolarHBondContact O-CG 3.38Å; D231-M235 PolarHBondContact O-N 3.32Å |
| 232 | D | 97.8 | Very high | 97.3 | Very high | 24 Ų | 24 | 32.6 Ų | 32.6 | 13% | 0.128 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.4 | -42.7 | 176.9 | 66.1 | -8.1 | 0 | 0 | 0 | 113.1 | F194 G197 T234 M235 G236 | F194-D232 HydrophobicContact CD2-CB 4.3Å; G197-D232 PolarHBondContact N-OD2 2.91Å; D232-T234 VanDerWaalsContact C-N 3.29Å; D232-T234 PolarHBondContact O-N 3.45Å; D232-M235 WeakPolarHBondContact O-CB 3.33Å; D232-M235 PolarHBondContact O-N 3.49Å; D232-G236 PolarHBondContact O-N 3.47Å |
| 233 | C | 98.1 | Very high | 97.4 | Very high | 6 Ų | 6 | 30.6 Ų | 30.6 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.4 | -38.1 | 172.2 | -66.9 | 0 | 0 | 0 | 0 | 111.3 | F192 F194 L229 P230 D231 G236 Y237 | F192-C233 WeakPolarHBondContact CE2-O 3.09Å; F194-C233 WeakPolarHBondContact CE2-SG 3.3Å; F194-C233 VanDerWaalsContact CZ-SG 3.52Å; L229-C233 HydrophobicContact CB-CB 3.59Å; L229-C233 HydrophobicContact CD1-CB 4.06Å; L229-C233 HydrophobicContact CG-CB 4.38Å; P230-C233 PolarHBondContact O-N 2.89Å; D231-C233 PolarHBondContact O-N 2.96Å; C233-G236 PolarHBondContact O-N 3.04Å; C233-Y237 VanDerWaalsContact O-CB 3.26Å; C233-Y237 WeakPolarHBondContact O-CB 3.39Å; C233-Y237 PolarHBondContact O-N 2.9Å |
| 234 | T | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.2 | -39.3 | 178 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | F220 T223 S224 P230 D231 D232 Y237 I238 | F220-T234 HydrophobicContact CD1-CG2 4.48Å; F220-T234 HydrophobicContact CD2-CG2 4.23Å; F220-T234 HydrophobicContact CE1-CG2 4.06Å; F220-T234 HydrophobicContact CE2-CG2 3.77Å; F220-T234 HydrophobicContact CZ-CG2 3.69Å; T223-T234 HydrophobicContact CG2-CG2 4.02Å; S224-T234 WeakPolarHBondContact CA-OG1 3.19Å; S224-T234 WeakPolarHBondContact CB-OG1 3.32Å; P230-T234 WeakPolarHBondContact O-CB 3.41Å; P230-T234 PolarHBondContact O-N 2.92Å; P230-T234 PolarHBondContact O-OG1 3.28Å; D231-T234 WeakPolarHBondContact O-CA 3.4Å; D231-T234 WeakPolarHBondContact O-CB 3.25Å; D231-T234 PolarHBondContact O-N 3.32Å; D231-T234 VanDerWaalsContact O-N 3.1Å; D232-T234 VanDerWaalsContact C-N 3.29Å; D232-T234 PolarHBondContact O-N 3.45Å; T234-Y237 PolarHBondContact O-N 2.69Å; T234-I238 HydrophobicContact CG2-CD1 4.05Å; T234-I238 VanDerWaalsContact O-CG1 3.28Å; T234-I238 WeakPolarHBondContact O-CG1 3.46Å; T234-I238 PolarHBondContact O-N 3.1Å |
| 235 | M | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.9 | -52.4 | 172.2 | -67.1 | -66 | -82.7 | 0 | 0 | 111.4 | M123 F127 F138 F201 I203 M211 F220 D231 D232 Y237 I238 I239 | M123-M235 HydrophobicContact SD-CG 4.49Å; M123-M235 HydrophobicContact SD-SD 4.35Å; F127-M235 HydrophobicContact CD2-CE 4.38Å; F138-M235 HydrophobicContact CE1-CE 4.42Å; F201-M235 HydrophobicContact CE2-CE 3.61Å; F201-M235 HydrophobicContact CE2-CG 4.36Å; F201-M235 HydrophobicContact CZ-CE 3.95Å; F201-M235 HydrophobicContact CZ-CG 3.89Å; I203-M235 HydrophobicContact CD1-CE 3.9Å; M211-M235 HydrophobicContact CE-CE 3.71Å; M211-M235 HydrophobicContact CE-SD 3.64Å; F220-M235 HydrophobicContact CE2-CG 4.08Å; F220-M235 HydrophobicContact CE2-SD 3.5Å; F220-M235 WeakPolarHBondContact CE2-SD 3.46Å; F220-M235 HydrophobicContact CZ-CG 4.08Å; F220-M235 HydrophobicContact CZ-SD 4.05Å; D231-M235 WeakPolarHBondContact O-CG 3.38Å; D231-M235 PolarHBondContact O-N 3.32Å; D232-M235 WeakPolarHBondContact O-CB 3.33Å; D232-M235 PolarHBondContact O-N 3.49Å; M235-Y237 VanDerWaalsContact C-N 3.34Å; M235-Y237 PolarHBondContact O-N 2.78Å; M235-I238 PolarHBondContact O-N 2.95Å; M235-I239 WeakPolarHBondContact O-CD1 3.28Å; M235-I239 VanDerWaalsContact O-CG1 3.25Å; M235-I239 WeakPolarHBondContact O-CG1 3.2Å; M235-I239 PolarHBondContact O-N 2.85Å |
| 236 | G | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61 | -41.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | D232 C233 I239 E240 | D232-G236 PolarHBondContact O-N 3.47Å; C233-G236 PolarHBondContact O-N 3.04Å; G236-I239 PolarHBondContact O-N 3.46Å; G236-E240 WeakPolarHBondContact O-CB 3.47Å; G236-E240 PolarHBondContact O-N 3.42Å |
| 237 | Y | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61 | -48.1 | 176.6 | 170.3 | -102.9 | 0 | 0 | 0 | 112.4 | E180 V190 F192 T223 I227 C233 T234 M235 I239 C241 K242 | E180-Y237 PolarHBondContact OE1-OH 3.22Å; V190-Y237 HydrophobicContact CG1-CE2 4.42Å; V190-Y237 HydrophobicContact CG2-CD2 4.23Å; V190-Y237 HydrophobicContact CG2-CE2 3.98Å; F192-Y237 HydrophobicContact CD1-CD2 4.13Å; F192-Y237 AromaticContact CE1-CD2 3.77Å; F192-Y237 HydrophobicContact CE1-CD2 3.77Å; F192-Y237 HydrophobicContact CE1-CG 4.4Å; F192-Y237 HydrophobicContact CZ-CD2 4.19Å; F192-Y237 HydrophobicContact CZ-CG 4.39Å; T223-Y237 HydrophobicContact CG2-CD1 3.8Å; T223-Y237 HydrophobicContact CG2-CE1 3.71Å; I227-Y237 HydrophobicContact CD1-CD1 3.76Å; I227-Y237 HydrophobicContact CD1-CD2 4.35Å; I227-Y237 HydrophobicContact CD1-CE1 4.47Å; I227-Y237 HydrophobicContact CD1-CG 3.66Å; I227-Y237 HydrophobicContact CG2-CD1 3.98Å; I227-Y237 HydrophobicContact CG2-CD2 4.06Å; I227-Y237 HydrophobicContact CG2-CE1 3.68Å; I227-Y237 HydrophobicContact CG2-CE2 3.76Å; I227-Y237 HydrophobicContact CG2-CG 4.14Å; C233-Y237 VanDerWaalsContact O-CB 3.26Å; C233-Y237 WeakPolarHBondContact O-CB 3.39Å; C233-Y237 PolarHBondContact O-N 2.9Å; T234-Y237 PolarHBondContact O-N 2.69Å; M235-Y237 VanDerWaalsContact C-N 3.34Å; M235-Y237 PolarHBondContact O-N 2.78Å; Y237-I239 VanDerWaalsContact C-N 3.33Å; Y237-I239 PolarHBondContact O-N 2.95Å; Y237-C241 HydrophobicContact CD2-CB 3.72Å; Y237-C241 HydrophobicContact CE2-CB 3.74Å; Y237-C241 WeakPolarHBondContact O-CA 3.5Å; Y237-C241 WeakPolarHBondContact O-CB 3.45Å; Y237-C241 PolarHBondContact O-N 3.31Å; Y237-K242 HydrophobicContact CE1-CD 4.39Å; Y237-K242 HydrophobicContact CE1-CG 4.25Å; Y237-K242 PolarHBondContact O-N 3.32Å; Y237-K242 WeakPolarHBondContact OH-CE 3Å; Y237-K242 PolarHBondContact OH-NZ 3.49Å |
| 238 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -60.6 | -47.6 | 178 | -66.6 | 168.3 | 0 | 0 | 0 | 109.5 | M211 W214 A215 F220 T223 T234 M235 K242 L243 | M211-I238 HydrophobicContact CB-CG2 3.93Å; M211-I238 HydrophobicContact CE-CB 4.37Å; M211-I238 HydrophobicContact CE-CG2 4.18Å; M211-I238 HydrophobicContact CG-CG2 3.85Å; W214-I238 HydrophobicContact CB-CD1 3.81Å; W214-I238 HydrophobicContact CB-CG1 3.85Å; W214-I238 HydrophobicContact CB-CG2 4Å; W214-I238 HydrophobicContact CE3-CG2 4.26Å; W214-I238 HydrophobicContact CG-CG2 4.48Å; A215-I238 HydrophobicContact CB-CD1 4.04Å; F220-I238 HydrophobicContact CD2-CD1 4.18Å; F220-I238 HydrophobicContact CE2-CD1 4.24Å; T223-I238 HydrophobicContact CG2-CD1 4.08Å; T223-I238 HydrophobicContact CG2-CG1 3.84Å; T234-I238 HydrophobicContact CG2-CD1 4.05Å; T234-I238 VanDerWaalsContact O-CG1 3.28Å; T234-I238 WeakPolarHBondContact O-CG1 3.46Å; T234-I238 PolarHBondContact O-N 3.1Å; M235-I238 PolarHBondContact O-N 2.95Å; I238-K242 WeakPolarHBondContact O-CA 3.49Å; I238-K242 VanDerWaalsContact O-CB 3.24Å; I238-K242 WeakPolarHBondContact O-CB 3.46Å; I238-K242 PolarHBondContact O-N 2.82Å; I238-K242 VanDerWaalsContact O-N 3.14Å; I238-L243 HydrophobicContact CG2-CD1 4.5Å; I238-L243 PolarHBondContact O-N 3.48Å; I238-L243 VanDerWaalsContact O-N 3.1Å |
| 239 | I | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -67.6 | -49.7 | -174.5 | -65.3 | 164.3 | 0 | 0 | 0 | 111.5 | Y166 I203 L207 M211 M235 G236 Y237 L243 G244 G245 | Y166-I239 HydrophobicContact CD1-CB 4.27Å; Y166-I239 HydrophobicContact CD1-CD1 3.53Å; Y166-I239 HydrophobicContact CD1-CG1 4.49Å; Y166-I239 HydrophobicContact CD1-CG2 3.95Å; Y166-I239 HydrophobicContact CD2-CD1 3.95Å; Y166-I239 HydrophobicContact CE1-CD1 3.88Å; Y166-I239 HydrophobicContact CE2-CD1 4.25Å; Y166-I239 HydrophobicContact CG-CD1 3.55Å; Y166-I239 HydrophobicContact CG-CG2 4.44Å; I203-I239 HydrophobicContact CG2-CD1 4.03Å; L207-I239 HydrophobicContact CD1-CG1 4.46Å; L207-I239 HydrophobicContact CD1-CG2 4.44Å; L207-I239 HydrophobicContact CD2-CD1 4.06Å; L207-I239 HydrophobicContact CD2-CG1 4.15Å; L207-I239 HydrophobicContact CD2-CG2 4.1Å; L207-I239 HydrophobicContact CG-CG1 4.49Å; M211-I239 HydrophobicContact CE-CD1 3.88Å; M211-I239 HydrophobicContact CE-CG1 3.77Å; M211-I239 HydrophobicContact CG-CG1 4.16Å; M211-I239 HydrophobicContact SD-CD1 3.8Å; M211-I239 HydrophobicContact SD-CG1 3.57Å; M211-I239 VanDerWaalsContact SD-CG1 3.57Å; M235-I239 WeakPolarHBondContact O-CD1 3.28Å; M235-I239 VanDerWaalsContact O-CG1 3.25Å; M235-I239 WeakPolarHBondContact O-CG1 3.2Å; M235-I239 PolarHBondContact O-N 2.85Å; G236-I239 PolarHBondContact O-N 3.46Å; Y237-I239 VanDerWaalsContact C-N 3.33Å; Y237-I239 PolarHBondContact O-N 2.95Å; I239-L243 WeakPolarHBondContact O-CB 3.49Å; I239-G244 PolarHBondContact O-N 3.06Å; I239-G245 WeakPolarHBondContact O-CA 3.33Å; I239-G245 PolarHBondContact O-N 2.98Å |
| 240 | E | 98.6 | Very high | 98.1 | Very high | 34 Ų | 34 | 35.6 Ų | 35.6 | 16% | 0.159 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -84.5 | -43.2 | -175.2 | -60.7 | -149.2 | 162.2 | 0 | 0 | 112.9 | F192 W193 G236 G244 R246 L247 | F192-E240 WeakPolarHBondContact CA-OE2 3.36Å; F192-E240 HydrophobicContact CB-CB 3.83Å; F192-E240 HydrophobicContact CB-CG 4.44Å; W193-E240 PolarHBondContact N-OE2 2.92Å; G236-E240 WeakPolarHBondContact O-CB 3.47Å; G236-E240 PolarHBondContact O-N 3.42Å; E240-G244 WeakPolarHBondContact O-CA 3.41Å; E240-G244 PolarHBondContact O-N 3.4Å; E240-R246 WeakPolarHBondContact OE1-CA 3.34Å; E240-L247 PolarHBondContact OE1-N 3.29Å |
| 241 | C | 98 | Very high | 98.2 | Very high | 35 Ų | 35 | 37.4 Ų | 37.4 | 24% | 0.236 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -88.8 | -30.3 | -174.2 | -65.8 | 0 | 0 | 0 | 0 | 114.3 | F192 Y237 | F192-C241 VanDerWaalsContact CD1-SG 3.51Å; Y237-C241 HydrophobicContact CD2-CB 3.72Å; Y237-C241 HydrophobicContact CE2-CB 3.74Å; Y237-C241 WeakPolarHBondContact O-CA 3.5Å; Y237-C241 WeakPolarHBondContact O-CB 3.45Å; Y237-C241 PolarHBondContact O-N 3.31Å |
| 242 | K | 97.8 | Very high | 98.3 | Very high | 56 Ų | 56 | 39 Ų | 39 | 24% | 0.243 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -94.8 | -37.8 | 178.8 | -55.6 | -60.6 | -162 | -177.6 | 0 | 112.6 | E180 W214 Y237 I238 | E180-K242 IonicContact OE1-NZ 3.67Å; E180-K242 PolarHBondContact OE1-NZ 2.91Å; W214-K242 HydrophobicContact CD2-CB 4.02Å; W214-K242 HydrophobicContact CD2-CG 4.13Å; W214-K242 HydrophobicContact CE3-CB 4.27Å; W214-K242 HydrophobicContact CG-CG 4.25Å; W214-K242 HydrophobicContact CH2-CB 4.22Å; W214-K242 HydrophobicContact CZ2-CB 3.96Å; W214-K242 HydrophobicContact CZ2-CG 4.44Å; W214-K242 HydrophobicContact CZ3-CB 4.38Å; Y237-K242 HydrophobicContact CE1-CD 4.39Å; Y237-K242 HydrophobicContact CE1-CG 4.25Å; Y237-K242 PolarHBondContact O-N 3.32Å; Y237-K242 WeakPolarHBondContact OH-CE 3Å; Y237-K242 PolarHBondContact OH-NZ 3.49Å; I238-K242 WeakPolarHBondContact O-CA 3.49Å; I238-K242 VanDerWaalsContact O-CB 3.24Å; I238-K242 WeakPolarHBondContact O-CB 3.46Å; I238-K242 PolarHBondContact O-N 2.82Å; I238-K242 VanDerWaalsContact O-N 3.14Å |
| 243 | L | 98.4 | Very high | 98.4 | Very high | 56 Ų | 56 | 37.9 Ų | 37.9 | 29% | 0.293 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -11.6 | -175 | -62.2 | 177.3 | 0 | 0 | 0 | 114.4 | L207 K210 M211 W214 I238 I239 G245 | L207-L243 HydrophobicContact CD1-CD1 3.78Å; K210-L243 HydrophobicContact CB-CD1 3.9Å; K210-L243 HydrophobicContact CB-CD2 4.07Å; M211-L243 HydrophobicContact CB-CD1 4.36Å; M211-L243 HydrophobicContact CG-CD1 3.53Å; W214-L243 HydrophobicContact CE3-CD2 4.45Å; W214-L243 HydrophobicContact CH2-CD2 4.16Å; W214-L243 HydrophobicContact CZ3-CD2 3.61Å; W214-L243 HydrophobicContact CZ3-CG 4.33Å; I238-L243 HydrophobicContact CG2-CD1 4.5Å; I238-L243 PolarHBondContact O-N 3.48Å; I238-L243 VanDerWaalsContact O-N 3.1Å; I239-L243 WeakPolarHBondContact O-CB 3.49Å; L243-G245 PolarHBondContact O-N 2.85Å |
| 244 | G | 97.9 | Very high | 98.4 | Very high | 63 Ų | 63 | 38.1 Ų | 38.1 | 65% | 0.649 | 22% | 0.216 | S | C | * | . | trans | 67.4 | 18.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | I239 E240 | I239-G244 PolarHBondContact O-N 3.06Å; E240-G244 WeakPolarHBondContact O-CA 3.41Å; E240-G244 PolarHBondContact O-N 3.4Å | ||
| 245 | G | 97.7 | Very high | 98.4 | Very high | 25 Ų | 25 | 38.2 Ų | 38.2 | 26% | 0.258 | 22% | 0.216 | S | C | . | . | trans | -73.6 | -175.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I239 L243 | I239-G245 WeakPolarHBondContact O-CA 3.33Å; I239-G245 PolarHBondContact O-N 2.98Å; L243-G245 PolarHBondContact O-N 2.85Å | ||
| 246 | R | 97.8 | Very high | 98.3 | Very high | 204 Ų | 204 | 39.9 Ų | 39.9 | 77% | 0.77 | 22% | 0.224 | S | C | * | . | trans | -143.7 | 141.5 | 178.2 | -63.6 | -174.9 | -176.2 | -171.5 | -0.1 | 110.8 | E240 Q248 | E240-R246 WeakPolarHBondContact OE1-CA 3.34Å; R246-Q248 PolarHBondContact O-N 2.89Å | ||
| 247 | L | 98.7 | Very high | 98.1 | Very high | 14 Ų | 14 | 44.3 Ų | 44.3 | 7% | 0.073 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 128.5 | 163.1 | 175.9 | 60.8 | 0 | 0 | 0 | 109.6 | Y166 P170 W193 A195 E240 P249 | Y166-L247 HydrophobicContact CD1-CB 4.01Å; Y166-L247 HydrophobicContact CD1-CD1 3.88Å; Y166-L247 HydrophobicContact CD2-CD1 4.34Å; Y166-L247 HydrophobicContact CE1-CB 4.13Å; Y166-L247 HydrophobicContact CE1-CD1 3.86Å; Y166-L247 HydrophobicContact CE2-CD1 4.33Å; Y166-L247 HydrophobicContact CG-CD1 4.14Å; P170-L247 HydrophobicContact CB-CD2 3.91Å; P170-L247 HydrophobicContact CG-CD2 3.78Å; W193-L247 HydrophobicContact CB-CB 4.12Å; W193-L247 HydrophobicContact CB-CD2 4.16Å; A195-L247 HydrophobicContact CB-CD1 3.87Å; A195-L247 HydrophobicContact CB-CD2 4.4Å; E240-L247 PolarHBondContact OE1-N 3.29Å; L247-P249 WeakPolarHBondContact O-CD 3.47Å |
| 248 | Q | 98.6 | Very high | 97.9 | Very high | 62 Ų | 62 | 46.1 Ų | 46.1 | 29% | 0.29 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 106.4 | 169.9 | -59.4 | -177.1 | 30.8 | 0 | 0 | 107.8 | F159 Y166 V167 G168 R246 S250 | F159-Q248 VanDerWaalsContact CD1-OE1 3.32Å; Y166-Q248 WeakPolarHBondContact O-CB 3.29Å; Y166-Q248 PolarHBondContact O-N 2.88Å; V167-Q248 WeakPolarHBondContact CA-O 3.26Å; V167-Q248 HydrophobicContact CB-CB 4.46Å; V167-Q248 WeakPolarHBondContact CG2-O 3.34Å; G168-Q248 PolarHBondContact N-O 2.88Å; R246-Q248 PolarHBondContact O-N 2.89Å; Q248-S250 PolarHBondContact O-N 3.41Å |
| 249 | P | 98.4 | Very high | 97.7 | Very high | 96 Ų | 96 | 50.1 Ų | 50.1 | 62% | 0.623 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 134.1 | -177.4 | -21.3 | 34.8 | 0 | 0 | 0 | 110.8 | G168 P170 L247 | G168-P249 WeakPolarHBondContact O-CA 3.37Å; P170-P249 HydrophobicContact CG-CB 3.68Å; P170-P249 HydrophobicContact CG-CG 3.9Å; L247-P249 WeakPolarHBondContact O-CD 3.47Å |
| 250 | S | 98.6 | Very high | 97.6 | Very high | 9 Ų | 9 | 50.1 Ų | 50.1 | 6% | 0.063 | 28% | 0.28 | C | S | . | . | trans | -126.7 | 129.1 | 170.7 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | G168 Q248 L252 | G168-S250 PolarHBondContact O-N 3.35Å; Q248-S250 PolarHBondContact O-N 3.41Å; S250-L252 PolarHBondContact O-N 2.98Å; S250-L252 PolarHBondContact OG-N 2.64Å | ||
| 251 | P | 97.9 | Very high | 97.4 | Very high | 89 Ų | 89 | 52.6 Ų | 52.6 | 58% | 0.578 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | 0.8 | 176.9 | 34.9 | -36.8 | 0 | 0 | 0 | 112.8 | H254 | P251-H254 PolarHBondContact O-CE1 2.97Å; P251-H254 PolarHBondContact O-NE2 3.3Å |
| 252 | L | 98.8 | Very high | 97.3 | Very high | 44 Ų | 44 | 57.3 Ų | 57.3 | 23% | 0.23 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -5.9 | -176.4 | -52.7 | 179.5 | 0 | 0 | 0 | 113.3 | L155 S250 V272 T273 | L155-L252 HydrophobicContact CD1-CD1 4.41Å; S250-L252 PolarHBondContact O-N 2.98Å; S250-L252 PolarHBondContact OG-N 2.64Å; L252-V272 HydrophobicContact CB-CB 4.06Å; L252-V272 HydrophobicContact CB-CG2 3.66Å; L252-V272 HydrophobicContact CD1-CG2 3.97Å; L252-V272 HydrophobicContact CG-CG2 4.48Å; L252-V272 WeakPolarHBondContact O-CB 3.44Å; L252-V272 PolarHBondContact O-N 3.05Å; L252-T273 PolarHBondContact O-N 2.68Å |
| 253 | F | 98.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.009 | 31% | 0.308 | C | S | . | . | trans | -103.3 | 132 | 175.6 | -64 | -98 | 0 | 0 | 0 | 109.8 | L155 V167 R169 A199 G200 V272 T273 | L155-F253 HydrophobicContact CD2-CE2 3.4Å; L155-F253 VanDerWaalsContact CD2-CE2 3.4Å; L155-F253 HydrophobicContact CD2-CZ 3.71Å; V167-F253 HydrophobicContact CG2-CE2 4.08Å; R169-F253 HydrophobicContact CB-CB 4.06Å; A199-F253 HydrophobicContact CB-CB 4.25Å; G200-F253 VanDerWaalsContact O-CD1 3.31Å; G200-F253 WeakPolarHBondContact O-CD1 3.48Å; F253-V272 HydrophobicContact CD1-CG1 4.18Å; F253-V272 HydrophobicContact CE1-CB 4.39Å; F253-V272 HydrophobicContact CE1-CG1 3.64Å; F253-V272 HydrophobicContact CE2-CG1 4.41Å; F253-V272 HydrophobicContact CZ-CB 4.38Å; F253-V272 HydrophobicContact CZ-CG1 3.77Å; F253-T273 WeakPolarHBondContact CA-OG1 3.46Å; F253-T273 HydrophobicContact CD1-CG2 3.79Å; F253-T273 HydrophobicContact CE1-CG2 4.2Å | ||
| 254 | H | 98.6 | Very high | 97.1 | Very high | 11 Ų | 11 | 61.1 Ų | 61.1 | 5% | 0.051 | 32% | 0.324 | C | S | . | . | trans | -134.9 | 127.5 | -172.6 | -60 | -82.4 | 0 | 0 | 0 | 112.4 | P251 E258 L260 Q271 T273 L274 | P251-H254 PolarHBondContact O-CE1 2.97Å; P251-H254 PolarHBondContact O-NE2 3.3Å; H254-E258 WeakPolarHBondContact CA-OE2 3.37Å; H254-L260 HydrophobicContact CB-CD2 3.83Å; H254-Q271 PolarHBondContact NE2-OE1 2.92Å; H254-T273 PolarHBondContact CD2-O 3.48Å; H254-T273 VanDerWaalsContact CD2-O 3.23Å; H254-T273 PolarHBondContact N-O 3.1Å; H254-T273 PolarHBondContact N-OG1 3.25Å; H254-T273 VanDerWaalsContact N-OG1 3.14Å; H254-L274 HydrophobicContact CB-CD2 4.22Å | ||
| 255 | S | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.007 | 31% | 0.312 | C | S | . | . | trans | -98.9 | 155.4 | 171.4 | 177 | 0 | 0 | 0 | 0 | 111.2 | G198 L257 E258 | G198-S255 WeakPolarHBondContact O-CA 3.21Å; S255-L257 PolarHBondContact O-N 3.05Å; S255-L257 VanDerWaalsContact O-N 3.12Å; S255-L257 WeakPolarHBondContact OG-CG 3.43Å; S255-L257 PolarHBondContact OG-N 3.44Å; S255-L257 VanDerWaalsContact OG-N 3.1Å; S255-E258 PolarHBondContact N-OE2 2.76Å; S255-E258 WeakPolarHBondContact O-CB 3.28Å; S255-E258 PolarHBondContact O-N 2.9Å; S255-E258 VanDerWaalsContact O-N 3.17Å | ||
| 256 | H | 96.9 | Very high | 96.8 | Very high | 35 Ų | 35 | 64.1 Ų | 64.1 | 16% | 0.162 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -4.5 | 167 | 67.8 | -101.7 | 0 | 0 | 0 | 113 | D144 E258 L260 S275 F279 N284 | D144-H256 IonicContact OD1-ND1 3.65Å; D144-H256 IonicContact OD2-CE1 3.81Å; D144-H256 IonicContact OD2-ND1 2.78Å; H256-E258 PolarHBondContact O-N 2.85Å; H256-L260 HydrophobicContact CB-CD1 4.42Å; H256-S275 VanDerWaalsContact N-CB 3.34Å; H256-S275 PolarHBondContact N-OG 2.99Å; H256-S275 PolarHBondContact ND1-OG 3.16Å; H256-F279 WeakPolarHBondContact O-CB 3.27Å; H256-F279 WeakPolarHBondContact O-CG 3.3Å; H256-N284 PolarHBondContact O-ND2 2.76Å |
| 257 | L | 94.7 | Very high | 96.8 | Very high | 94 Ų | 94 | 57.1 Ų | 57.1 | 49% | 0.492 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 7.7 | 170.4 | -56.8 | 179.7 | 0 | 0 | 0 | 113.3 | S255 F279 | S255-L257 PolarHBondContact O-N 3.05Å; S255-L257 VanDerWaalsContact O-N 3.12Å; S255-L257 WeakPolarHBondContact OG-CG 3.43Å; S255-L257 PolarHBondContact OG-N 3.44Å; S255-L257 VanDerWaalsContact OG-N 3.1Å; L257-F279 HydrophobicContact CB-CD2 4.42Å; L257-F279 HydrophobicContact CB-CE2 4.31Å; L257-F279 HydrophobicContact CD2-CD2 3.88Å; L257-F279 HydrophobicContact CD2-CE2 4.25Å; L257-F279 WeakPolarHBondContact O-CZ 3.35Å |
| 258 | E | 93.4 | Very high | 96.8 | Very high | 37 Ų | 37 | 56.5 Ų | 56.5 | 17% | 0.173 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -123.6 | 158.2 | 179.5 | -51.7 | -176.2 | 75.3 | 0 | 0 | 110.4 | R169 H254 S255 H256 L260 N284 | R169-E258 IonicContact CZ-OE1 3.76Å; R169-E258 IonicContact NE-OE1 3.74Å; R169-E258 PolarHBondContact NE-OE1 2.62Å; R169-E258 VanDerWaalsContact NE-OE1 3.13Å; R169-E258 IonicContact NH1-OE1 3.42Å; R169-E258 PolarHBondContact NH1-OE1 2.81Å; R169-E258 IonicContact NH2-OE1 2.89Å; R169-E258 PolarHBondContact NH2-OE1 3.09Å; H254-E258 WeakPolarHBondContact CA-OE2 3.37Å; S255-E258 PolarHBondContact N-OE2 2.76Å; S255-E258 WeakPolarHBondContact O-CB 3.28Å; S255-E258 PolarHBondContact O-N 2.9Å; S255-E258 VanDerWaalsContact O-N 3.17Å; H256-E258 PolarHBondContact O-N 2.85Å; E258-L260 PolarHBondContact O-N 2.94Å; E258-N284 PolarHBondContact O-ND2 2.93Å |
| 259 | T | 94.4 | Very high | 96.8 | Very high | 84 Ų | 84 | 56.4 Ų | 56.4 | 52% | 0.515 | 31% | 0.311 | S | S | . | . | trans | -74.1 | 84.2 | 178.9 | -45.6 | 0 | 0 | 0 | 0 | 112.2 | Q261 L262 | T259-Q261 HydrophobicContact CG2-CB 4.47Å; T259-Q261 PolarHBondContact O-N 3.15Å; T259-Q261 VanDerWaalsContact O-N 3.11Å; T259-L262 HydrophobicContact CG2-CD1 4.24Å; T259-L262 HydrophobicContact CG2-CG 3.86Å; T259-L262 WeakPolarHBondContact O-CB 3.46Å; T259-L262 WeakPolarHBondContact O-CG 3.25Å; T259-L262 PolarHBondContact O-N 2.77Å | ||
| 260 | L | 97 | Very high | 96.7 | Very high | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -61.5 | -22.8 | -175.9 | -66 | 177 | 0 | 0 | 0 | 113.7 | H254 H256 E258 L262 L263 S275 N284 V285 I286 | H254-L260 HydrophobicContact CB-CD2 3.83Å; H256-L260 HydrophobicContact CB-CD1 4.42Å; E258-L260 PolarHBondContact O-N 2.94Å; L260-L262 PolarHBondContact O-N 3.05Å; L260-L263 HydrophobicContact CD2-CD1 4.19Å; L260-L263 WeakPolarHBondContact O-CB 3.39Å; L260-L263 PolarHBondContact O-N 3.45Å; L260-L263 VanDerWaalsContact O-N 3.13Å; L260-S275 WeakPolarHBondContact CD1-O 3.21Å; L260-N284 PolarHBondContact N-OD1 3.42Å; L260-V285 VanDerWaalsContact CB-O 3.29Å; L260-V285 WeakPolarHBondContact CB-O 3.42Å; L260-I286 HydrophobicContact CB-CG2 4.45Å |
| 261 | Q | 94.9 | Very high | 96.8 | Very high | 86 Ų | 86 | 58 Ų | 58 | 40% | 0.402 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -64.8 | -15.7 | 174.7 | -65.5 | -67.5 | -41.8 | 0 | 0 | 113.7 | T259 L263 V285 | T259-Q261 HydrophobicContact CG2-CB 4.47Å; T259-Q261 PolarHBondContact O-N 3.15Å; T259-Q261 VanDerWaalsContact O-N 3.11Å; Q261-L263 VanDerWaalsContact C-N 3.3Å; Q261-V285 PolarHBondContact NE2-O 3.41Å |
| 262 | L | 96 | Very high | 96.8 | Very high | 134 Ų | 134 | 53.8 Ų | 53.8 | 70% | 0.702 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -75.8 | -18.7 | 174.8 | -62 | 179.1 | 0 | 0 | 0 | 112.7 | T259 L260 R264 | T259-L262 HydrophobicContact CG2-CD1 4.24Å; T259-L262 HydrophobicContact CG2-CG 3.86Å; T259-L262 WeakPolarHBondContact O-CB 3.46Å; T259-L262 WeakPolarHBondContact O-CG 3.25Å; T259-L262 PolarHBondContact O-N 2.77Å; L260-L262 PolarHBondContact O-N 3.05Å; L262-R264 PolarHBondContact O-N 2.9Å |
| 263 | L | 96.7 | Very high | 96.8 | Very high | 21 Ų | 21 | 51.9 Ų | 51.9 | 11% | 0.11 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -71.7 | 118.5 | 176.8 | -62.2 | 174.4 | 0 | 0 | 0 | 109.8 | L260 Q261 L268 L274 I286 | L260-L263 HydrophobicContact CD2-CD1 4.19Å; L260-L263 WeakPolarHBondContact O-CB 3.39Å; L260-L263 PolarHBondContact O-N 3.45Å; L260-L263 VanDerWaalsContact O-N 3.13Å; Q261-L263 VanDerWaalsContact C-N 3.3Å; L263-L268 HydrophobicContact CB-CD2 4.15Å; L263-L274 HydrophobicContact CD1-CD2 3.43Å; L263-L274 VanDerWaalsContact CD1-CD2 3.43Å; L263-I286 HydrophobicContact CD1-CG2 4.32Å |
| 264 | R | 95.4 | Very high | 96.8 | Very high | 171 Ų | 171 | 52 Ų | 52 | 65% | 0.645 | 27% | 0.273 | S | S | * | . | trans | -74.2 | 145.5 | 176.5 | -60.8 | 178.8 | -69.4 | 169.8 | -1.4 | 109.5 | L262 A266 Q267 L268 | L262-R264 PolarHBondContact O-N 2.9Å; R264-A266 PolarHBondContact O-N 3.31Å; R264-A266 VanDerWaalsContact O-N 3.11Å; R264-Q267 HydrophobicContact CB-CG 4.27Å; R264-Q267 VanDerWaalsContact CB-OE1 3.31Å; R264-Q267 VanDerWaalsContact NE-OE1 3.08Å; R264-Q267 WeakPolarHBondContact O-CB 3.33Å; R264-Q267 PolarHBondContact O-N 3.15Å; R264-L268 PolarHBondContact O-N 2.87Å | ||
| 265 | T | 94.5 | Very high | 96.8 | Very high | 65 Ų | 65 | 51.5 Ų | 51.5 | 40% | 0.399 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -52.1 | -38.7 | 178.9 | -51.8 | 0 | 0 | 0 | 0 | 113 | Q267 L268 K287 L288 L307 | T265-Q267 PolarHBondContact O-N 2.93Å; T265-L268 HydrophobicContact CG2-CD1 4.35Å; T265-L268 PolarHBondContact O-N 3.49Å; T265-K287 PolarHBondContact OG1-O 3.39Å; T265-L288 HydrophobicContact CG2-CD1 3.64Å; T265-L307 HydrophobicContact CG2-CD2 4.44Å |
| 266 | A | 95.8 | Very high | 96.8 | Very high | 85 Ų | 85 | 52.8 Ų | 52.8 | 70% | 0.702 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -64.2 | -22.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R264 | R264-A266 PolarHBondContact O-N 3.31Å; R264-A266 VanDerWaalsContact O-N 3.11Å |
| 267 | Q | 96.8 | Very high | 96.8 | Very high | 57 Ų | 57 | 51.6 Ų | 51.6 | 27% | 0.266 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -89.5 | -21 | -179.8 | -61.4 | 174.2 | -77.7 | 0 | 0 | 112.1 | R264 T265 P269 E270 Q271 | R264-Q267 HydrophobicContact CB-CG 4.27Å; R264-Q267 VanDerWaalsContact CB-OE1 3.31Å; R264-Q267 VanDerWaalsContact NE-OE1 3.08Å; R264-Q267 WeakPolarHBondContact O-CB 3.33Å; R264-Q267 PolarHBondContact O-N 3.15Å; T265-Q267 PolarHBondContact O-N 2.93Å; Q267-P269 VanDerWaalsContact C-CD 3.43Å; Q267-P269 VanDerWaalsContact C-N 3.32Å; Q267-E270 WeakPolarHBondContact O-CB 3.44Å; Q267-E270 PolarHBondContact O-N 3.44Å; Q267-Q271 WeakPolarHBondContact O-CG 3.49Å; Q267-Q271 PolarHBondContact O-NE2 3.07Å |
| 268 | L | 98 | Very high | 96.9 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -53.7 | -40.4 | -175.5 | -61.3 | 174.3 | 0 | 0 | 0 | 113.6 | L263 R264 T265 E270 Q271 L274 I286 L288 L304 L307 | L263-L268 HydrophobicContact CB-CD2 4.15Å; R264-L268 PolarHBondContact O-N 2.87Å; T265-L268 HydrophobicContact CG2-CD1 4.35Å; T265-L268 PolarHBondContact O-N 3.49Å; L268-E270 PolarHBondContact O-N 3.03Å; L268-Q271 PolarHBondContact O-N 3.34Å; L268-L274 HydrophobicContact CD2-CD1 3.95Å; L268-L274 HydrophobicContact CD2-CD2 4.43Å; L268-I286 HydrophobicContact CD1-CD1 4.09Å; L268-I286 HydrophobicContact CD2-CB 4.14Å; L268-I286 HydrophobicContact CD2-CD1 4.25Å; L268-I286 HydrophobicContact CD2-CG2 3.97Å; L268-L288 HydrophobicContact CD1-CD1 4.14Å; L268-L304 HydrophobicContact CB-CD1 4.06Å; L268-L304 HydrophobicContact CD1-CD1 4.41Å; L268-L307 HydrophobicContact CB-CD2 4.38Å; L268-L307 HydrophobicContact CD1-CD2 4.28Å |
| 269 | P | 98.3 | Very high | 96.7 | Very high | 60 Ų | 60 | 53 Ų | 53 | 39% | 0.39 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -65.7 | -16.5 | 178.3 | -22.6 | 35.8 | 0 | 0 | 0 | 115.5 | N148 Q267 L308 | N148-P269 PolarHBondContact ND2-O 2.89Å; Q267-P269 VanDerWaalsContact C-CD 3.43Å; Q267-P269 VanDerWaalsContact C-N 3.32Å; P269-L308 HydrophobicContact CB-CD2 3.88Å; P269-L308 HydrophobicContact CG-CD2 4.18Å |
| 270 | E | 98.2 | Very high | 96.5 | Very high | 125 Ų | 125 | 57 Ų | 57 | 58% | 0.584 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -94.3 | -14.1 | -179.9 | -59.3 | 175.7 | 174.4 | 0 | 0 | 112.5 | Q267 L268 | Q267-E270 WeakPolarHBondContact O-CB 3.44Å; Q267-E270 PolarHBondContact O-N 3.44Å; L268-E270 PolarHBondContact O-N 3.03Å |
| 271 | Q | 98.8 | Very high | 96.2 | Very high | 14 Ų | 14 | 60.3 Ų | 60.3 | 7% | 0.065 | 33% | 0.33 | C | S | . | . | trans | -76.1 | 140.9 | -178.1 | -50.5 | -43.5 | -60.2 | 0 | 0 | 110.2 | N148 A151 H254 Q267 L268 L274 | N148-Q271 WeakPolarHBondContact CB-O 3.5Å; N148-Q271 PolarHBondContact ND2-O 3.36Å; A151-Q271 WeakPolarHBondContact CB-O 3.43Å; H254-Q271 PolarHBondContact NE2-OE1 2.92Å; Q267-Q271 WeakPolarHBondContact O-CG 3.49Å; Q267-Q271 PolarHBondContact O-NE2 3.07Å; L268-Q271 PolarHBondContact O-N 3.34Å; Q271-L274 HydrophobicContact CB-CD2 4.16Å; Q271-L274 HydrophobicContact CB-CG 4.25Å; Q271-L274 HydrophobicContact CG-CD2 4.26Å | ||
| 272 | V | 98.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.006 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -81.1 | -48.4 | -180 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | N148 A151 L152 L155 L252 F253 | N148-V272 PolarHBondContact N-O 3.1Å; A151-V272 HydrophobicContact CB-CG2 4.09Å; L152-V272 HydrophobicContact CB-CG1 3.98Å; L152-V272 HydrophobicContact CD1-CG1 3.67Å; L152-V272 HydrophobicContact CG-CG1 4.41Å; L155-V272 HydrophobicContact CB-CG2 4.23Å; L155-V272 HydrophobicContact CD2-CG2 3.95Å; L252-V272 HydrophobicContact CB-CB 4.06Å; L252-V272 HydrophobicContact CB-CG2 3.66Å; L252-V272 HydrophobicContact CD1-CG2 3.97Å; L252-V272 HydrophobicContact CG-CG2 4.48Å; L252-V272 WeakPolarHBondContact O-CB 3.44Å; L252-V272 PolarHBondContact O-N 3.05Å; F253-V272 HydrophobicContact CD1-CG1 4.18Å; F253-V272 HydrophobicContact CE1-CB 4.39Å; F253-V272 HydrophobicContact CE1-CG1 3.64Å; F253-V272 HydrophobicContact CE2-CG1 4.41Å; F253-V272 HydrophobicContact CZ-CB 4.38Å; F253-V272 HydrophobicContact CZ-CG1 3.77Å |
| 273 | T | 98.9 | Very high | 96.1 | Very high | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 148.5 | 174.5 | 61.7 | 0 | 0 | 0 | 0 | 111.5 | V141 Y146 V147 A199 L252 F253 H254 | V141-T273 HydrophobicContact CG1-CG2 4.13Å; Y146-T273 CarbonylContact O-C 3.48Å; Y146-T273 VanDerWaalsContact O-CA 3.23Å; Y146-T273 WeakPolarHBondContact O-CA 3.49Å; V147-T273 HydrophobicContact CG2-CG2 4.45Å; A199-T273 WeakPolarHBondContact O-CB 3.48Å; A199-T273 PolarHBondContact O-OG1 3.21Å; L252-T273 PolarHBondContact O-N 2.68Å; F253-T273 WeakPolarHBondContact CA-OG1 3.46Å; F253-T273 HydrophobicContact CD1-CG2 3.79Å; F253-T273 HydrophobicContact CE1-CG2 4.2Å; H254-T273 PolarHBondContact CD2-O 3.48Å; H254-T273 VanDerWaalsContact CD2-O 3.23Å; H254-T273 PolarHBondContact N-O 3.1Å; H254-T273 PolarHBondContact N-OG1 3.25Å; H254-T273 VanDerWaalsContact N-OG1 3.14Å |
| 274 | L | 98.8 | Very high | 96.2 | Very high | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 164.8 | 167.1 | -67.4 | 167.2 | 0 | 0 | 0 | 108.2 | N145 Y146 H254 L263 L268 Q271 I286 L304 | N145-L274 CarbonylContact C-O 3.59Å; N145-L274 VanDerWaalsContact CA-O 3.23Å; N145-L274 WeakPolarHBondContact CA-O 3.24Å; N145-L274 PolarHBondContact ND2-O 3.34Å; Y146-L274 PolarHBondContact N-O 2.81Å; Y146-L274 PolarHBondContact O-N 3.42Å; H254-L274 HydrophobicContact CB-CD2 4.22Å; L263-L274 HydrophobicContact CD1-CD2 3.43Å; L263-L274 VanDerWaalsContact CD1-CD2 3.43Å; L268-L274 HydrophobicContact CD2-CD1 3.95Å; L268-L274 HydrophobicContact CD2-CD2 4.43Å; Q271-L274 HydrophobicContact CB-CD2 4.16Å; Q271-L274 HydrophobicContact CB-CG 4.25Å; Q271-L274 HydrophobicContact CG-CD2 4.26Å; L274-I286 HydrophobicContact CB-CG2 4.46Å; L274-I286 HydrophobicContact CD1-CD1 4.33Å; L274-I286 HydrophobicContact CD1-CG2 4.13Å; L274-I286 HydrophobicContact CD2-CG2 3.79Å; L274-I286 HydrophobicContact CG-CG2 4.34Å; L274-L304 HydrophobicContact CD1-CD1 4.11Å; L274-L304 HydrophobicContact CD1-CD2 3.46Å; L274-L304 VanDerWaalsContact CD1-CD2 3.46Å; L274-L304 HydrophobicContact CD1-CG 4.43Å |
| 275 | S | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 171.4 | -179.5 | -173.9 | 0 | 0 | 0 | 0 | 110.6 | D144 N145 H256 L260 | D144-S275 VanDerWaalsContact O-CA 3.31Å; D144-S275 WeakPolarHBondContact O-CA 3.35Å; D144-S275 PolarHBondContact O-OG 2.82Å; D144-S275 PolarHBondContact OD1-OG 2.84Å; N145-S275 WeakPolarHBondContact ND2-CB 3.28Å; H256-S275 VanDerWaalsContact N-CB 3.34Å; H256-S275 PolarHBondContact N-OG 2.99Å; H256-S275 PolarHBondContact ND1-OG 3.16Å; L260-S275 WeakPolarHBondContact CD1-O 3.21Å |
| 276 | Y | 98.5 | Very high | 96.5 | Very high | 29 Ų | 29 | 51.6 Ų | 51.6 | 11% | 0.114 | 29% | 0.289 | C | S | . | . | trans | -141.4 | 151.3 | 163 | 69.5 | -79.9 | 0 | 0 | 0 | 109.3 | L73 D144 N284 S299 F301 | L73-Y276 HydrophobicContact CD2-CE1 4.45Å; D144-Y276 HydrophobicContact CB-CD1 4.12Å; D144-Y276 HydrophobicContact CB-CE1 3.79Å; D144-Y276 WeakPolarHBondContact O-CD1 3.42Å; D144-Y276 PolarHBondContact O-N 2.84Å; Y276-N284 WeakPolarHBondContact CA-O 3.05Å; Y276-S299 VanDerWaalsContact CD1-CB 3.42Å; Y276-F301 HydrophobicContact CD1-CD1 4.41Å; Y276-F301 HydrophobicContact CD1-CD2 4.12Å; Y276-F301 AromaticContact CD1-CE1 3.9Å; Y276-F301 HydrophobicContact CD1-CE1 3.9Å; Y276-F301 AromaticContact CD1-CE2 3.57Å; Y276-F301 HydrophobicContact CD1-CE2 3.57Å; Y276-F301 AromaticContact CD1-CZ 3.46Å; Y276-F301 HydrophobicContact CD1-CZ 3.46Å; Y276-F301 VanDerWaalsContact CD1-CZ 3.46Å; Y276-F301 HydrophobicContact CE1-CD2 4.02Å; Y276-F301 AromaticContact CE1-CE2 3.6Å; Y276-F301 HydrophobicContact CE1-CE2 3.6Å; Y276-F301 HydrophobicContact CE1-CZ 4Å | ||
| 277 | G | 97.2 | Very high | 96.5 | Very high | 9 Ų | 9 | 53.2 Ų | 53.2 | 9% | 0.093 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.2 | 178.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | N284 | G277-N284 PolarHBondContact N-O 3.42Å; G277-N284 VanDerWaalsContact N-O 3.14Å; G277-N284 PolarHBondContact O-N 3.44Å |
| 278 | V | 95.2 | Very high | 96.4 | Very high | 101 Ų | 101 | 51.4 Ų | 51.4 | 61% | 0.612 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 125.6 | 174.4 | 177.7 | 0 | 0 | 0 | 0 | 108.8 | K282 | V278-K282 CarbonylContact C-O 3.54Å; V278-K282 WeakPolarHBondContact CA-O 3.47Å |
| 279 | F | 90.3 | Very high | 96.2 | Very high | 60 Ų | 60 | 59.5 Ų | 59.5 | 26% | 0.263 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 129.4 | 174.2 | -175.6 | -116.3 | 0 | 0 | 0 | 109.4 | H256 L257 G281 K282 N284 | H256-F279 WeakPolarHBondContact O-CB 3.27Å; H256-F279 WeakPolarHBondContact O-CG 3.3Å; L257-F279 HydrophobicContact CB-CD2 4.42Å; L257-F279 HydrophobicContact CB-CE2 4.31Å; L257-F279 HydrophobicContact CD2-CD2 3.88Å; L257-F279 HydrophobicContact CD2-CE2 4.25Å; L257-F279 WeakPolarHBondContact O-CZ 3.35Å; F279-G281 PolarHBondContact O-N 3.36Å; F279-G281 VanDerWaalsContact O-N 3.14Å; F279-K282 PolarHBondContact N-O 3.16Å; F279-K282 PolarHBondContact O-N 2.91Å; F279-K282 VanDerWaalsContact O-O 3.1Å; F279-N284 HydrophobicContact CB-CB 3.97Å |
| 280 | E | 90.4 | Very high | 95.9 | Very high | 168 Ų | 168 | 57.8 Ų | 57.8 | 79% | 0.785 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 38.9 | -175.2 | -59 | -173.8 | 153.9 | 0 | 0 | 113.4 | K282 | E280-K282 VanDerWaalsContact C-N 3.27Å; E280-K282 PolarHBondContact O-N 3.46Å |
| 281 | G | 89.9 | Confident | 95.8 | Very high | 71 Ų | 71 | 54.4 Ų | 54.4 | 73% | 0.732 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 6.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | F279 | F279-G281 PolarHBondContact O-N 3.36Å; F279-G281 VanDerWaalsContact O-N 3.14Å |
| 282 | K | 93 | Very high | 95.7 | Very high | 163 Ų | 163 | 55.1 Ų | 55.1 | 71% | 0.709 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 145.7 | 177.3 | -63.4 | -177 | -176.8 | 175.2 | 0 | 111 | V278 F279 E280 N284 | V278-K282 CarbonylContact C-O 3.54Å; V278-K282 WeakPolarHBondContact CA-O 3.47Å; F279-K282 PolarHBondContact N-O 3.16Å; F279-K282 PolarHBondContact O-N 2.91Å; F279-K282 VanDerWaalsContact O-O 3.1Å; E280-K282 VanDerWaalsContact C-N 3.27Å; E280-K282 PolarHBondContact O-N 3.46Å; K282-N284 PolarHBondContact O-N 2.79Å |
| 283 | L | 95.8 | Very high | 95.6 | Very high | 101 Ų | 101 | 57 Ų | 57 | 53% | 0.529 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 119.7 | 168.7 | 179.5 | 62.9 | 0 | 0 | 0 | 108.6 | V285 | L283-V285 HydrophobicContact CD1-CG1 4.13Å; L283-V285 HydrophobicContact CD2-CG1 4.44Å; L283-V285 HydrophobicContact CG-CG1 4.02Å |
| 284 | N | 98 | Very high | 95.5 | Very high | 13 Ų | 13 | 60.6 Ų | 60.6 | 7% | 0.07 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 119.4 | -179.3 | -178 | 30.6 | 0 | 0 | 0 | 109.3 | H256 E258 L260 Y276 G277 F279 K282 | H256-N284 PolarHBondContact O-ND2 2.76Å; E258-N284 PolarHBondContact O-ND2 2.93Å; L260-N284 PolarHBondContact N-OD1 3.42Å; Y276-N284 WeakPolarHBondContact CA-O 3.05Å; G277-N284 PolarHBondContact N-O 3.42Å; G277-N284 VanDerWaalsContact N-O 3.14Å; G277-N284 PolarHBondContact O-N 3.44Å; F279-N284 HydrophobicContact CB-CB 3.97Å; K282-N284 PolarHBondContact O-N 2.79Å |
| 285 | V | 98 | Very high | 95.4 | Very high | 16 Ų | 16 | 67.6 Ų | 67.6 | 10% | 0.097 | 36% | 0.364 | C | S | . | . | trans | -143.8 | 169.8 | -174.9 | -68.3 | 0 | 0 | 0 | 0 | 109.4 | L260 Q261 L283 P298 R300 | L260-V285 VanDerWaalsContact CB-O 3.29Å; L260-V285 WeakPolarHBondContact CB-O 3.42Å; Q261-V285 PolarHBondContact NE2-O 3.41Å; L283-V285 HydrophobicContact CD1-CG1 4.13Å; L283-V285 HydrophobicContact CD2-CG1 4.44Å; L283-V285 HydrophobicContact CG-CG1 4.02Å; V285-P298 WeakPolarHBondContact CG1-O 3.46Å; V285-R300 HydrophobicContact CB-CG 3.88Å; V285-R300 HydrophobicContact CG1-CG 4.45Å; V285-R300 HydrophobicContact CG2-CG 3.91Å | ||
| 286 | I | 98.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.005 | 39% | 0.393 | C | S | . | . | trans | -68.8 | 156.1 | 170.2 | 56.8 | 170.4 | 0 | 0 | 0 | 112.2 | L260 L263 L268 L274 L288 R300 L304 | L260-I286 HydrophobicContact CB-CG2 4.45Å; L263-I286 HydrophobicContact CD1-CG2 4.32Å; L268-I286 HydrophobicContact CD1-CD1 4.09Å; L268-I286 HydrophobicContact CD2-CB 4.14Å; L268-I286 HydrophobicContact CD2-CD1 4.25Å; L268-I286 HydrophobicContact CD2-CG2 3.97Å; L274-I286 HydrophobicContact CB-CG2 4.46Å; L274-I286 HydrophobicContact CD1-CD1 4.33Å; L274-I286 HydrophobicContact CD1-CG2 4.13Å; L274-I286 HydrophobicContact CD2-CG2 3.79Å; L274-I286 HydrophobicContact CG-CG2 4.34Å; I286-L288 HydrophobicContact CD1-CB 4.41Å; I286-L288 HydrophobicContact CD1-CD2 4.47Å; I286-L288 PolarHBondContact O-N 3.36Å; I286-R300 HydrophobicContact CD1-CB 4.12Å; I286-R300 HydrophobicContact CG1-CB 3.68Å; I286-R300 HydrophobicContact CG1-CG 4.24Å; I286-L304 HydrophobicContact CD1-CB 4.02Å; I286-L304 HydrophobicContact CD1-CD1 4.24Å; I286-L304 HydrophobicContact CD1-CD2 4.24Å; I286-L304 HydrophobicContact CD1-CG 4.4Å | ||
| 287 | K | 96.4 | Very high | 95.3 | Very high | 119 Ų | 119 | 72.4 Ų | 72.4 | 52% | 0.517 | 39% | 0.388 | S | S | . | . | trans | -86.5 | 98.6 | 173.9 | -168.4 | 174.4 | -179.5 | 176.5 | 0 | 111.1 | T265 | T265-K287 PolarHBondContact OG1-O 3.39Š| ||
| 288 | L | 95.6 | Very high | 95.3 | Very high | 20 Ų | 20 | 75.5 Ų | 75.5 | 11% | 0.105 | 41% | 0.406 | C | S | . | . | trans | -141.6 | 126.3 | 176.8 | -167.1 | 63.5 | 0 | 0 | 0 | 110.6 | T265 L268 I286 S303 L304 L307 | T265-L288 HydrophobicContact CG2-CD1 3.64Å; L268-L288 HydrophobicContact CD1-CD1 4.14Å; I286-L288 HydrophobicContact CD1-CB 4.41Å; I286-L288 HydrophobicContact CD1-CD2 4.47Å; I286-L288 PolarHBondContact O-N 3.36Å; L288-S303 VanDerWaalsContact CD2-C 3.45Å; L288-L304 HydrophobicContact CD2-CB 4.31Å; L288-L307 HydrophobicContact CD1-CD2 4.18Å | ||
| 289 | Q | 92.7 | Very high | 95.5 | Very high | 171 Ų | 171 | 70.9 Ų | 70.9 | 80% | 0.799 | 38% | 0.379 | S | S | * | . | trans | -73.8 | -28.3 | -172.2 | -71.8 | -66.4 | -5.2 | 0 | 0 | 113.8 | ||||
| 290 | G | 92.3 | Very high | 95.8 | Very high | 23 Ų | 23 | 68.6 Ų | 68.6 | 24% | 0.237 | 37% | 0.368 | C | S | . | . | trans | -179.6 | -168.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S303 | G290-S303 WeakPolarHBondContact O-CB 3.32Š| ||
| 291 | P | 95.8 | Very high | 96.2 | Very high | 54 Ų | 54 | 60.6 Ų | 60.6 | 35% | 0.351 | 33% | 0.331 | S | S | . | . | S | Bend | cis | -78 | -10.1 | 19.3 | 27.7 | -38.5 | 0 | 0 | 0 | 117.6 | C306 P316 | P291-C306 HydrophobicContact CG-CB 3.66Å; P291-P316 HydrophobicContact CB-CB 4.02Å; P291-P316 HydrophobicContact CB-CG 3.91Å; P291-P316 HydrophobicContact CG-CG 4.26Å |
| 292 | F | 97.4 | Very high | 96.7 | Very high | 29 Ų | 29 | 60.7 Ų | 60.7 | 13% | 0.127 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -99 | 147 | -178 | -63 | -85.6 | 0 | 0 | 0 | 113.1 | E296 D297 R300 R302 S303 W314 P316 | F292-E296 HydrophobicContact CB-CB 4.27Å; F292-E296 HydrophobicContact CD1-CB 4.41Å; F292-D297 HydrophobicContact CB-CB 3.59Å; F292-D297 HydrophobicContact CG-CB 4.24Å; F292-R300 PolarHBondContact O-NH1 2.96Å; F292-R300 PolarHBondContact O-NH2 2.62Å; F292-R302 HydrophobicContact CD2-CB 3.73Å; F292-R302 HydrophobicContact CE2-CB 3.75Å; F292-R302 HydrophobicContact CG-CB 4.45Å; F292-R302 HydrophobicContact CZ-CB 4.47Å; F292-S303 PolarHBondContact N-OG 2.69Å; F292-W314 HydrophobicContact CE2-CE3 4.29Å; F292-W314 AromaticContact CE2-CZ3 3.82Å; F292-W314 HydrophobicContact CE2-CZ3 3.82Å; F292-W314 AromaticContact CZ-CE3 3.92Å; F292-W314 HydrophobicContact CZ-CE3 3.92Å; F292-W314 AromaticContact CZ-CZ3 3.9Å; F292-W314 HydrophobicContact CZ-CZ3 3.9Å; F292-P316 HydrophobicContact CD1-CG 4.45Å; F292-P316 HydrophobicContact CE1-CG 3.89Å; F292-P316 HydrophobicContact CE2-CG 4.25Å; F292-P316 HydrophobicContact CZ-CG 3.79Å |
| 293 | S | 97.1 | Very high | 96.9 | Very high | 41 Ų | 41 | 53 Ų | 53 | 29% | 0.287 | 28% | 0.276 | S | S | . | . | trans | -68.1 | 154 | 174.7 | 90.3 | 0 | 0 | 0 | 0 | 111.2 | E295 E296 D297 R300 | S293-E295 WeakPolarHBondContact CB-OE2 3.25Å; S293-E295 PolarHBondContact O-N 2.64Å; S293-E295 VanDerWaalsContact O-N 3.12Å; S293-E295 PolarHBondContact OG-N 3.36Å; S293-E295 PolarHBondContact OG-OE2 3.33Å; S293-E296 PolarHBondContact N-OE2 3.33Å; S293-E296 PolarHBondContact O-N 2.86Å; S293-E296 PolarHBondContact OG-N 3.3Å; S293-D297 PolarHBondContact O-N 3.39Å; S293-R300 PolarHBondContact O-NH2 2.87Å | ||
| 294 | P | 96.4 | Very high | 97.1 | Very high | 79 Ų | 79 | 48.2 Ų | 48.2 | 51% | 0.513 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -31.1 | 175.1 | -30.2 | 38.6 | 0 | 0 | 0 | 114.9 | P298 | P294-P298 WeakPolarHBondContact O-CA 3.06Š|
| 295 | E | 96.6 | Very high | 97.1 | Very high | 152 Ų | 152 | 47.6 Ų | 47.6 | 71% | 0.71 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -37.6 | 178.7 | -57.1 | 70.5 | -149.5 | 0 | 0 | 111.9 | S293 | S293-E295 WeakPolarHBondContact CB-OE2 3.25Å; S293-E295 PolarHBondContact O-N 2.64Å; S293-E295 VanDerWaalsContact O-N 3.12Å; S293-E295 PolarHBondContact OG-N 3.36Å; S293-E295 PolarHBondContact OG-OE2 3.33Å |
| 296 | E | 96.9 | Very high | 97.1 | Very high | 127 Ų | 127 | 47.3 Ų | 47.3 | 59% | 0.593 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -29.7 | 179.6 | -66 | 177.4 | 137 | 0 | 0 | 113.1 | F292 S293 | F292-E296 HydrophobicContact CB-CB 4.27Å; F292-E296 HydrophobicContact CD1-CB 4.41Å; S293-E296 PolarHBondContact N-OE2 3.33Å; S293-E296 PolarHBondContact O-N 2.86Å; S293-E296 PolarHBondContact OG-N 3.3Å |
| 297 | D | 97.9 | Very high | 97 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.011 | 27% | 0.265 | C | S | . | . | trans | -138.3 | 62.4 | -174.6 | 172.8 | 37.4 | 0 | 0 | 0 | 111.4 | F292 S293 S299 R300 F301 R302 S303 | F292-D297 HydrophobicContact CB-CB 3.59Å; F292-D297 HydrophobicContact CG-CB 4.24Å; S293-D297 PolarHBondContact O-N 3.39Å; D297-S299 PolarHBondContact O-N 3.41Å; D297-S299 PolarHBondContact OD1-OG 2.9Å; D297-R300 VanDerWaalsContact CB-NH2 3.29Å; D297-R300 WeakPolarHBondContact O-CA 3.36Å; D297-R300 PolarHBondContact O-N 3.46Å; D297-R300 PolarHBondContact O-NE 3.19Å; D297-R300 PolarHBondContact O-NH2 3.22Å; D297-R300 PolarHBondContact OD1-N 3.04Å; D297-R300 WeakPolarHBondContact OD2-CA 3.24Å; D297-R300 IonicContact OD2-NH2 2.81Å; D297-F301 PolarHBondContact OD1-N 2.74Å; D297-R302 HydrophobicContact CB-CB 4.16Å; D297-R302 PolarHBondContact OD1-N 3.38Å; D297-R302 PolarHBondContact OD2-N 2.63Å; D297-S303 WeakPolarHBondContact OD2-CB 3.22Å; D297-S303 PolarHBondContact OD2-N 3.19Å; D297-S303 PolarHBondContact OD2-OG 3.48Å | ||
| 298 | P | 97.5 | Very high | 97.1 | Very high | 74 Ų | 74 | 47 Ų | 47 | 48% | 0.481 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -27.1 | -170.8 | 21.3 | -33.8 | 0 | 0 | 0 | 114 | V285 P294 | V285-P298 WeakPolarHBondContact CG1-O 3.46Å; P294-P298 WeakPolarHBondContact O-CA 3.06Å |
| 299 | S | 98.3 | Very high | 97.2 | Very high | 5 Ų | 5 | 48 Ų | 48 | 4% | 0.035 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -17.3 | 174.9 | 59.6 | 0 | 0 | 0 | 0 | 114.3 | L73 Y276 D297 F301 | L73-S299 VanDerWaalsContact CD2-OG 3.3Å; L73-S299 WeakPolarHBondContact CD2-OG 3.39Å; Y276-S299 VanDerWaalsContact CD1-CB 3.42Å; D297-S299 PolarHBondContact O-N 3.41Å; D297-S299 PolarHBondContact OD1-OG 2.9Å; S299-F301 PolarHBondContact O-N 3.42Å; S299-F301 PolarHBondContact OG-N 2.04Å |
| 300 | R | 98.5 | Very high | 97.4 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 5% | 0.045 | 25% | 0.245 | C | C | . | . | S | Bend | trans | 68.3 | 8.5 | -169.6 | -48.4 | -74.9 | 76.6 | -165.2 | -5.3 | 114.3 | V285 I286 F292 S293 D297 S303 L304 | V285-R300 HydrophobicContact CB-CG 3.88Å; V285-R300 HydrophobicContact CG1-CG 4.45Å; V285-R300 HydrophobicContact CG2-CG 3.91Å; I286-R300 HydrophobicContact CD1-CB 4.12Å; I286-R300 HydrophobicContact CG1-CB 3.68Å; I286-R300 HydrophobicContact CG1-CG 4.24Å; F292-R300 PolarHBondContact O-NH1 2.96Å; F292-R300 PolarHBondContact O-NH2 2.62Å; S293-R300 PolarHBondContact O-NH2 2.87Å; D297-R300 VanDerWaalsContact CB-NH2 3.29Å; D297-R300 WeakPolarHBondContact O-CA 3.36Å; D297-R300 PolarHBondContact O-N 3.46Å; D297-R300 PolarHBondContact O-NE 3.19Å; D297-R300 PolarHBondContact O-NH2 3.22Å; D297-R300 PolarHBondContact OD1-N 3.04Å; D297-R300 WeakPolarHBondContact OD2-CA 3.24Å; D297-R300 IonicContact OD2-NH2 2.81Å; R300-S303 PolarHBondContact O-N 3.4Å; R300-L304 WeakPolarHBondContact O-CB 3.35Å; R300-L304 PolarHBondContact O-N 2.87Å |
| 301 | F | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -74.3 | -34.8 | -175.9 | -78.5 | 7.5 | 0 | 0 | 0 | 113 | L73 L74 D144 N145 Y146 Y276 D297 S299 S303 H305 | L73-F301 HydrophobicContact CD1-CB 4.27Å; L73-F301 HydrophobicContact CD2-CB 4.12Å; L73-F301 HydrophobicContact CD2-CD2 4.03Å; L73-F301 HydrophobicContact CD2-CG 4.43Å; L73-F301 HydrophobicContact CG-CB 4.37Å; L74-F301 HydrophobicContact CD2-CD2 3.91Å; L74-F301 HydrophobicContact CD2-CE2 3.9Å; D144-F301 VanDerWaalsContact O-CZ 3.28Å; D144-F301 WeakPolarHBondContact O-CZ 3.06Å; N145-F301 VanDerWaalsContact C-CE2 3.44Å; Y146-F301 VanDerWaalsContact CB-CZ 3.49Å; Y146-F301 HydrophobicContact CD2-CB 3.97Å; Y146-F301 HydrophobicContact CD2-CD1 4.19Å; Y146-F301 HydrophobicContact CD2-CD2 4.02Å; Y146-F301 AromaticContact CD2-CG 3.81Å; Y146-F301 HydrophobicContact CD2-CG 3.81Å; Y146-F301 HydrophobicContact CG-CD1 4.5Å; Y146-F301 HydrophobicContact CG-CG 4.47Å; Y146-F301 VanDerWaalsContact N-CZ 3.29Å; Y276-F301 HydrophobicContact CD1-CD1 4.41Å; Y276-F301 HydrophobicContact CD1-CD2 4.12Å; Y276-F301 AromaticContact CD1-CE1 3.9Å; Y276-F301 HydrophobicContact CD1-CE1 3.9Å; Y276-F301 AromaticContact CD1-CE2 3.57Å; Y276-F301 HydrophobicContact CD1-CE2 3.57Å; Y276-F301 AromaticContact CD1-CZ 3.46Å; Y276-F301 HydrophobicContact CD1-CZ 3.46Å; Y276-F301 VanDerWaalsContact CD1-CZ 3.46Å; Y276-F301 HydrophobicContact CE1-CD2 4.02Å; Y276-F301 AromaticContact CE1-CE2 3.6Å; Y276-F301 HydrophobicContact CE1-CE2 3.6Å; Y276-F301 HydrophobicContact CE1-CZ 4Å; D297-F301 PolarHBondContact OD1-N 2.74Å; S299-F301 PolarHBondContact O-N 3.42Å; S299-F301 PolarHBondContact OG-N 2.04Å; F301-S303 VanDerWaalsContact C-N 3.32Å; F301-H305 VanDerWaalsContact O-CB 3.29Å; F301-H305 WeakPolarHBondContact O-CB 3.47Å; F301-H305 PolarHBondContact O-N 3.33Å |
| 302 | R | 98.6 | Very high | 97.6 | Very high | 73 Ų | 73 | 46.6 Ų | 46.6 | 28% | 0.275 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.6 | -42.6 | 173.9 | -62.1 | -179.5 | 176.5 | -95.6 | -6 | 110 | L73 D76 T77 F292 D297 H305 C306 W314 | L73-R302 HydrophobicContact CD1-CG 3.69Å; D76-R302 IonicContact OD2-NH2 3.72Å; T77-R302 HydrophobicContact CG2-CG 4.39Å; F292-R302 HydrophobicContact CD2-CB 3.73Å; F292-R302 HydrophobicContact CE2-CB 3.75Å; F292-R302 HydrophobicContact CG-CB 4.45Å; F292-R302 HydrophobicContact CZ-CB 4.47Å; D297-R302 HydrophobicContact CB-CB 4.16Å; D297-R302 PolarHBondContact OD1-N 3.38Å; D297-R302 PolarHBondContact OD2-N 2.63Å; R302-H305 WeakPolarHBondContact O-CB 3.35Å; R302-H305 PolarHBondContact O-N 2.84Å; R302-C306 PolarHBondContact O-N 3.41Å; R302-C306 PolarHBondContact O-SG 3.11Å; R302-C306 VanDerWaalsContact O-SG 3.34Å; R302-W314 HydrophobicContact CB-CH2 4.25Å; R302-W314 HydrophobicContact CB-CZ3 4.04Å; R302-W314 HydrophobicContact CG-CZ3 4.48Å |
| 303 | S | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 178 | -61.8 | 0 | 0 | 0 | 0 | 111.8 | L288 G290 F292 D297 R300 F301 H305 C306 L307 | L288-S303 VanDerWaalsContact CD2-C 3.45Å; G290-S303 WeakPolarHBondContact O-CB 3.32Å; F292-S303 PolarHBondContact N-OG 2.69Å; D297-S303 WeakPolarHBondContact OD2-CB 3.22Å; D297-S303 PolarHBondContact OD2-N 3.19Å; D297-S303 PolarHBondContact OD2-OG 3.48Å; R300-S303 PolarHBondContact O-N 3.4Å; F301-S303 VanDerWaalsContact C-N 3.32Å; S303-H305 VanDerWaalsContact C-N 3.33Å; S303-H305 PolarHBondContact O-N 2.77Å; S303-C306 PolarHBondContact O-N 3.43Å; S303-L307 PolarHBondContact O-N 2.76Å |
| 304 | L | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 173.8 | 176.4 | 66.1 | 0 | 0 | 0 | 111.4 | Y146 L268 L274 I286 L288 R300 C306 L307 L308 | Y146-L304 HydrophobicContact CD1-CD2 3.6Å; Y146-L304 HydrophobicContact CD2-CD2 3.94Å; Y146-L304 HydrophobicContact CE1-CD2 3.9Å; Y146-L304 HydrophobicContact CE1-CG 4.33Å; Y146-L304 HydrophobicContact CE2-CD2 4.17Å; Y146-L304 HydrophobicContact CE2-CG 4.46Å; Y146-L304 HydrophobicContact CG-CD2 3.64Å; L268-L304 HydrophobicContact CB-CD1 4.06Å; L268-L304 HydrophobicContact CD1-CD1 4.41Å; L274-L304 HydrophobicContact CD1-CD1 4.11Å; L274-L304 HydrophobicContact CD1-CD2 3.46Å; L274-L304 VanDerWaalsContact CD1-CD2 3.46Å; L274-L304 HydrophobicContact CD1-CG 4.43Å; I286-L304 HydrophobicContact CD1-CB 4.02Å; I286-L304 HydrophobicContact CD1-CD1 4.24Å; I286-L304 HydrophobicContact CD1-CD2 4.24Å; I286-L304 HydrophobicContact CD1-CG 4.4Å; L288-L304 HydrophobicContact CD2-CB 4.31Å; R300-L304 WeakPolarHBondContact O-CB 3.35Å; R300-L304 PolarHBondContact O-N 2.87Å; L304-C306 VanDerWaalsContact C-N 3.32Å; L304-C306 PolarHBondContact O-N 3.01Å; L304-L307 WeakPolarHBondContact O-CB 3.18Å; L304-L307 PolarHBondContact O-N 2.99Å; L304-L307 VanDerWaalsContact O-N 3.13Å; L304-L308 HydrophobicContact CD1-CD1 4.16Å; L304-L308 HydrophobicContact CD1-CG 4.25Å; L304-L308 HydrophobicContact CG-CD1 4.13Å; L304-L308 WeakPolarHBondContact O-CG 3.48Å; L304-L308 PolarHBondContact O-N 3.03Å |
| 305 | H | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 178.2 | -167.4 | 86 | 0 | 0 | 0 | 111.9 | T77 Y146 F301 R302 S303 L307 L308 Y309 T312 W314 | T77-H305 HydrophobicContact CG2-CB 4Å; T77-H305 PolarHBondContact O-CE1 3.08Å; Y146-H305 HydrophobicContact CE2-CB 4.05Å; Y146-H305 AromaticContact CZ-ND1 3.93Å; Y146-H305 VanDerWaalsContact OH-CA 3.31Å; Y146-H305 WeakPolarHBondContact OH-CA 3.33Å; Y146-H305 WeakPolarHBondContact OH-CB 3.3Å; Y146-H305 PolarHBondContact OH-ND1 2.87Å; F301-H305 VanDerWaalsContact O-CB 3.29Å; F301-H305 WeakPolarHBondContact O-CB 3.47Å; F301-H305 PolarHBondContact O-N 3.33Å; R302-H305 WeakPolarHBondContact O-CB 3.35Å; R302-H305 PolarHBondContact O-N 2.84Å; S303-H305 VanDerWaalsContact C-N 3.33Å; S303-H305 PolarHBondContact O-N 2.77Å; H305-L307 VanDerWaalsContact C-N 3.31Å; H305-L307 PolarHBondContact O-N 3.47Å; H305-L308 PolarHBondContact O-N 3.37Å; H305-Y309 AromaticContact CE1-CD2 3.55Å; H305-Y309 AromaticContact ND1-CD2 3.69Å; H305-Y309 AromaticContact NE2-CD2 3.91Å; H305-Y309 WeakPolarHBondContact O-CA 3.38Å; H305-Y309 PolarHBondContact O-N 2.85Å; H305-T312 PolarHBondContact NE2-OG1 3.41Å; H305-W314 HydrophobicContact CB-CH2 4.08Å; H305-W314 AromaticContact CD2-CH2 3.69Å; H305-W314 AromaticContact CD2-CZ2 3.53Å |
| 306 | C | 98.1 | Very high | 97.3 | Very high | 11 Ų | 11 | 46.4 Ų | 46.4 | 7% | 0.074 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.3 | -28.7 | 175.5 | -63.6 | 0 | 0 | 0 | 0 | 113.7 | P291 R302 S303 L304 P310 W314 C315 | P291-C306 HydrophobicContact CG-CB 3.66Å; R302-C306 PolarHBondContact O-N 3.41Å; R302-C306 PolarHBondContact O-SG 3.11Å; R302-C306 VanDerWaalsContact O-SG 3.34Å; S303-C306 PolarHBondContact O-N 3.43Å; L304-C306 VanDerWaalsContact C-N 3.32Å; L304-C306 PolarHBondContact O-N 3.01Å; C306-P310 WeakPolarHBondContact O-CA 3.49Å; C306-W314 VanDerWaalsContact SG-CZ3 3.52Å; C306-C315 WeakPolarHBondContact CA-SG 3.33Å; C306-C315 HydrophobicContact CB-CB 3.78Å; C306-C315 WeakPolarHBondContact CB-SG 3.48Å; C306-C315 WeakPolarHBondContact SG-CA 3.37Å; C306-C315 WeakPolarHBondContact SG-CB 3.44Å; C306-C315 CovalentContact SG-SG 2.03Å; C306-C315 PolarHBondContact SG-SG 3.15Å |
| 307 | L | 97 | Very high | 96.5 | Very high | 76 Ų | 76 | 48.8 Ų | 48.8 | 40% | 0.398 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.9 | -41 | 171.2 | 178.7 | 67.4 | 0 | 0 | 0 | 111.5 | T265 L268 L288 S303 L304 H305 | T265-L307 HydrophobicContact CG2-CD2 4.44Å; L268-L307 HydrophobicContact CB-CD2 4.38Å; L268-L307 HydrophobicContact CD1-CD2 4.28Å; L288-L307 HydrophobicContact CD1-CD2 4.18Å; S303-L307 PolarHBondContact O-N 2.76Å; L304-L307 WeakPolarHBondContact O-CB 3.18Å; L304-L307 PolarHBondContact O-N 2.99Å; L304-L307 VanDerWaalsContact O-N 3.13Å; H305-L307 VanDerWaalsContact C-N 3.31Å; H305-L307 PolarHBondContact O-N 3.47Å |
| 308 | L | 97.9 | Very high | 94.9 | Very high | 37 Ų | 37 | 57.4 Ų | 57.4 | 19% | 0.194 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -83.2 | -32.9 | -177 | -61.3 | 178.5 | 0 | 0 | 0 | 113.3 | Y146 P269 L304 H305 | Y146-L308 HydrophobicContact CE1-CD1 3.75Å; P269-L308 HydrophobicContact CB-CD2 3.88Å; P269-L308 HydrophobicContact CG-CD2 4.18Å; L304-L308 HydrophobicContact CD1-CD1 4.16Å; L304-L308 HydrophobicContact CD1-CG 4.25Å; L304-L308 HydrophobicContact CG-CD1 4.13Å; L304-L308 WeakPolarHBondContact O-CG 3.48Å; L304-L308 PolarHBondContact O-N 3.03Å; H305-L308 PolarHBondContact O-N 3.37Å |
| 309 | Y | 97.5 | Very high | 92.7 | Very high | 40 Ų | 40 | 57.2 Ų | 57.2 | 16% | 0.157 | 32% | 0.318 | C | S | . | . | trans | -134.8 | 69 | -173.9 | -52.5 | -75.6 | 0 | 0 | 0 | 110.2 | R81 P149 H305 D311 T312 | R81-Y309 HydrophobicContact CG-CD2 4.31Å; R81-Y309 HydrophobicContact CG-CE1 4.31Å; R81-Y309 HydrophobicContact CG-CE2 4.04Å; P149-Y309 WeakPolarHBondContact CG-OH 3.34Å; H305-Y309 AromaticContact CE1-CD2 3.55Å; H305-Y309 AromaticContact ND1-CD2 3.69Å; H305-Y309 AromaticContact NE2-CD2 3.91Å; H305-Y309 WeakPolarHBondContact O-CA 3.38Å; H305-Y309 PolarHBondContact O-N 2.85Å; Y309-D311 WeakPolarHBondContact CA-OD1 3.46Å; Y309-D311 PolarHBondContact O-N 3.44Å; Y309-D311 VanDerWaalsContact O-N 3.14Å; Y309-T312 WeakPolarHBondContact CB-OG1 3.26Å; Y309-T312 WeakPolarHBondContact O-CB 3.05Å; Y309-T312 PolarHBondContact O-N 3.48Å; Y309-T312 PolarHBondContact O-OG1 2.92Å | ||
| 310 | P | 96.2 | Very high | 89.9 | Confident | 100 Ų | 100 | 61.4 Ų | 61.4 | 65% | 0.649 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -15.8 | -176 | 27.7 | -36.2 | 0 | 0 | 0 | 113.5 | C306 T312 | C306-P310 WeakPolarHBondContact O-CA 3.49Å; P310-T312 PolarHBondContact O-N 3.12Å |
| 311 | D | 95.1 | Very high | 87 | Confident | 111 Ų | 111 | 75.9 Ų | 75.9 | 59% | 0.594 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -9.9 | 174 | 61.3 | -66.2 | 0 | 0 | 0 | 113.8 | R81 Y309 P313 | R81-D311 IonicContact NH1-OD2 3.68Å; R81-D311 IonicContact NH2-OD2 3.72Å; Y309-D311 WeakPolarHBondContact CA-OD1 3.46Å; Y309-D311 PolarHBondContact O-N 3.44Å; Y309-D311 VanDerWaalsContact O-N 3.14Å; D311-P313 WeakPolarHBondContact O-CD 3.45Å |
| 312 | T | 97.1 | Very high | 86.4 | Confident | 9 Ų | 9 | 79.7 Ų | 79.7 | 6% | 0.055 | 43% | 0.428 | C | S | . | . | trans | -62.5 | 123.2 | -179.8 | -49.4 | 0 | 0 | 0 | 0 | 110.4 | R81 H305 Y309 P310 W314 C315 | R81-T312 PolarHBondContact NH2-OG1 3.15Å; H305-T312 PolarHBondContact NE2-OG1 3.41Å; Y309-T312 WeakPolarHBondContact CB-OG1 3.26Å; Y309-T312 WeakPolarHBondContact O-CB 3.05Å; Y309-T312 PolarHBondContact O-N 3.48Å; Y309-T312 PolarHBondContact O-OG1 2.92Å; P310-T312 PolarHBondContact O-N 3.12Å; T312-W314 VanDerWaalsContact C-N 3.28Å; T312-W314 HydrophobicContact CG2-CD2 3.95Å; T312-W314 HydrophobicContact CG2-CG 4.15Å; T312-W314 HydrophobicContact CG2-CZ2 3.76Å; T312-W314 PolarHBondContact O-N 3.48Å; T312-W314 VanDerWaalsContact O-N 3.08Å; T312-C315 VanDerWaalsContact O-CB 3.27Å; T312-C315 WeakPolarHBondContact O-CB 3.39Å; T312-C315 PolarHBondContact O-N 2.85Å | ||
| 313 | P | 95.6 | Very high | 85.8 | Confident | 131 Ų | 131 | 80.1 Ų | 80.1 | 85% | 0.851 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -30 | -167.4 | -29.3 | 35.2 | 0 | 0 | 0 | 116.3 | D311 C315 | D311-P313 WeakPolarHBondContact O-CD 3.45Å; P313-C315 VanDerWaalsContact C-N 3.33Å |
| 314 | W | 96.2 | Very high | 85.1 | Confident | 93 Ų | 93 | 84.5 Ų | 84.5 | 35% | 0.352 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -4.5 | 179.8 | 55.5 | -105.8 | 0 | 0 | 0 | 113.3 | D76 T77 F292 R302 H305 C306 T312 | D76-W314 WeakPolarHBondContact O-CZ2 3.13Å; T77-W314 HydrophobicContact CG2-CH2 4.11Å; T77-W314 HydrophobicContact CG2-CZ2 4.24Å; F292-W314 HydrophobicContact CE2-CE3 4.29Å; F292-W314 AromaticContact CE2-CZ3 3.82Å; F292-W314 HydrophobicContact CE2-CZ3 3.82Å; F292-W314 AromaticContact CZ-CE3 3.92Å; F292-W314 HydrophobicContact CZ-CE3 3.92Å; F292-W314 AromaticContact CZ-CZ3 3.9Å; F292-W314 HydrophobicContact CZ-CZ3 3.9Å; R302-W314 HydrophobicContact CB-CH2 4.25Å; R302-W314 HydrophobicContact CB-CZ3 4.04Å; R302-W314 HydrophobicContact CG-CZ3 4.48Å; H305-W314 HydrophobicContact CB-CH2 4.08Å; H305-W314 AromaticContact CD2-CH2 3.69Å; H305-W314 AromaticContact CD2-CZ2 3.53Å; C306-W314 VanDerWaalsContact SG-CZ3 3.52Å; T312-W314 VanDerWaalsContact C-N 3.28Å; T312-W314 HydrophobicContact CG2-CD2 3.95Å; T312-W314 HydrophobicContact CG2-CG 4.15Å; T312-W314 HydrophobicContact CG2-CZ2 3.76Å; T312-W314 PolarHBondContact O-N 3.48Å; T312-W314 VanDerWaalsContact O-N 3.08Å |
| 315 | C | 97 | Very high | 84.3 | Confident | 14 Ų | 14 | 89.4 Ų | 89.4 | 10% | 0.095 | 49% | 0.487 | C | S | . | . | S | Bend | trans | -69 | 131.6 | 174.7 | -75.1 | 0 | 0 | 0 | 0 | 110.6 | C306 T312 P313 Q317 | C306-C315 WeakPolarHBondContact CA-SG 3.33Å; C306-C315 HydrophobicContact CB-CB 3.78Å; C306-C315 WeakPolarHBondContact CB-SG 3.48Å; C306-C315 WeakPolarHBondContact SG-CA 3.37Å; C306-C315 WeakPolarHBondContact SG-CB 3.44Å; C306-C315 CovalentContact SG-SG 2.03Å; C306-C315 PolarHBondContact SG-SG 3.15Å; T312-C315 VanDerWaalsContact O-CB 3.27Å; T312-C315 WeakPolarHBondContact O-CB 3.39Å; T312-C315 PolarHBondContact O-N 2.85Å; P313-C315 VanDerWaalsContact C-N 3.33Å; C315-Q317 PolarHBondContact O-N 2.77Å |
| 316 | P | 92.4 | Very high | 83.4 | Confident | 58 Ų | 58 | 95 Ų | 95 | 38% | 0.377 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -60 | 129.9 | 174.8 | -23.7 | 33.9 | 0 | 0 | 0 | 110.1 | P291 F292 L318 | P291-P316 HydrophobicContact CB-CB 4.02Å; P291-P316 HydrophobicContact CB-CG 3.91Å; P291-P316 HydrophobicContact CG-CG 4.26Å; F292-P316 HydrophobicContact CD1-CG 4.45Å; F292-P316 HydrophobicContact CE1-CG 3.89Å; F292-P316 HydrophobicContact CE2-CG 4.25Å; F292-P316 HydrophobicContact CZ-CG 3.79Å; P316-L318 PolarHBondContact O-N 3.14Å |
| 317 | Q | 81 | Confident | 82.4 | Confident | 177 Ų | 177 | 100.6 Ų | 100.6 | 83% | 0.827 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 129.2 | 173.3 | -65.6 | -165.9 | -14 | 0 | 0 | 109.3 | C315 G319 | C315-Q317 PolarHBondContact O-N 2.77Å; Q317-G319 PolarHBondContact O-N 3.11Å |
| 318 | L | 63.7 | Low | 81.3 | Confident | 183 Ų | 183 | 102.4 Ų | 102.4 | 96% | 0.958 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 80 | 170.9 | -76.8 | 158 | 0 | 0 | 0 | 108.7 | P316 | P316-L318 PolarHBondContact O-N 3.14Š|
| 319 | G | 52.9 | Low | 80.1 | Confident | 71 Ų | 71 | 107.4 Ų | 107.4 | 73% | 0.732 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 162.6 | 8.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | Q317 | Q317-G319 PolarHBondContact O-N 3.11Š|
| 320 | A | 38.3 | Very low | 78.6 | Confident | 93 Ų | 93 | 113 Ų | 113 | 77% | 0.769 | 62% | 0.621 | S | S | * | * | trans | -105.3 | 60.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 321 | R | 37.9 | Very low | 77 | Confident | 316 Ų | 316 | 114.2 Ų | 114.2 | 100% | 1.192 | 62% | 0.618 | S | S | * | * | trans | -145.5 | 0 | 155.8 | -77.3 | -165.3 | -177.4 | -178.1 | 1.7 | 109.1 |
Retrieved 321 of 321 residues in 844.8 ms
(Link to these results)