| 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 | 36.9 | Very low | 42.5 | Very low | 235 Ų | 235 | 142.4 Ų | 142.4 | 100% | 1.158 | 77% | 0.769 | S | S | * | * | 0 | 123.7 | 0 | -71.7 | 146.8 | 170.3 | 0 | 0 | 106.6 | |||||
| 2 | E | 35.7 | Very low | 43.3 | Very low | 190 Ų | 190 | 141.7 Ų | 141.7 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | cis | -159.1 | 157.7 | -7.4 | -102.9 | -171.6 | 108.4 | 0 | 0 | 105.9 | ||||
| 3 | S | 38.3 | Very low | 44.2 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | -72.7 | 153.7 | 178.2 | -104.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 4 | M | 40.7 | Very low | 45.1 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 78% | 0.778 | 74% | 0.738 | S | S | * | * | trans | 68.4 | 143.7 | 141.1 | -59 | -179.8 | 83.9 | 0 | 0 | 116.2 | ||||
| 5 | S | 38 | Very low | 46.1 | Very low | 97 Ų | 97 | 133 Ų | 133 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | -165.9 | 137.7 | 53 | -49.2 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 6 | E | 42.6 | Very low | 47 | Very low | 156 Ų | 156 | 132.1 Ų | 132.1 | 73% | 0.729 | 71% | 0.714 | S | S | * | * | 67.3 | 133.9 | 126.4 | -75.5 | -174.8 | 99.2 | 0 | 0 | 124.8 | |||||
| 7 | L | 37 | Very low | 47.8 | Very low | 143 Ų | 143 | 131.1 Ų | 131.1 | 75% | 0.749 | 71% | 0.707 | S | S | * | * | trans | 87.3 | 102.6 | 138.3 | -104.7 | 71.8 | 0 | 0 | 0 | 119.3 | ||||
| 8 | A | 46.1 | Very low | 48.5 | Very low | 74 Ų | 74 | 129.8 Ų | 129.8 | 61% | 0.612 | 70% | 0.699 | S | S | * | * | -162.4 | 122.2 | 106.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R10 | A8-R10 HydrophobicContact CB-CG 4.37Å; A8-R10 PolarHBondContact O-N 3.02Å | |||
| 9 | P | 50.5 | Low | 49.1 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 69% | 0.688 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | 37.9 | 179.1 | 36.6 | -35.5 | 0 | 0 | 0 | 112.2 | ||
| 10 | R | 50.1 | Low | 49.6 | Very low | 198 Ų | 198 | 125.9 Ų | 125.9 | 75% | 0.747 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | -15 | -170.1 | -68.6 | -176.1 | 170.8 | -175.3 | -2.5 | 114.1 | A8 | A8-R10 HydrophobicContact CB-CG 4.37Å; A8-R10 PolarHBondContact O-N 3.02Å |
| 11 | C | 51.6 | Low | 50 | Low | 108 Ų | 108 | 125.7 Ų | 125.7 | 73% | 0.73 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -18.5 | -173.1 | -129.4 | 0 | 0 | 0 | 0 | 114.3 | P15 | C11-P15 VanDerWaalsContact O-CD 3.32Å; C11-P15 WeakPolarHBondContact O-CD 3.32Å |
| 12 | L | 52.6 | Low | 51.1 | Low | 134 Ų | 134 | 121.2 Ų | 121.2 | 70% | 0.702 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -12.7 | -179.9 | -64.4 | 176.6 | 0 | 0 | 0 | 113.5 | P15 L16 | L12-P15 WeakPolarHBondContact O-CD 3.42Å; L12-P15 WeakPolarHBondContact O-CG 3.43Å; L12-L16 WeakPolarHBondContact O-CD1 3.45Å |
| 13 | L | 54.4 | Low | 52 | Low | 106 Ų | 106 | 118.8 Ų | 118.8 | 56% | 0.555 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -75 | -34.2 | 177.2 | -68.5 | 172.9 | 0 | 0 | 0 | 112 | L16 L17 | L13-L16 PolarHBondContact O-N 3.34Å; L13-L17 WeakPolarHBondContact O-CB 3.4Å; L13-L17 PolarHBondContact O-N 2.91Å |
| 14 | L | 57.2 | Low | 53 | Low | 117 Ų | 117 | 119.5 Ų | 119.5 | 61% | 0.613 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -59.6 | -50.9 | 177.2 | -94 | 134.3 | 0 | 0 | 0 | 113.8 | L16 L17 L18 | L14-L16 VanDerWaalsContact C-N 3.35Å; L14-L16 PolarHBondContact O-N 2.83Å; L14-L17 PolarHBondContact O-N 3.36Å; L14-L18 WeakPolarHBondContact O-CD1 3.34Å; L14-L18 PolarHBondContact O-N 3.06Å |
| 15 | P | 59.8 | Low | 53.9 | Low | 72 Ų | 72 | 117.6 Ų | 117.6 | 47% | 0.468 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -68.7 | -32 | 177.5 | 25 | -32.7 | 0 | 0 | 0 | 112.6 | C11 L12 L19 | C11-P15 VanDerWaalsContact O-CD 3.32Å; C11-P15 WeakPolarHBondContact O-CD 3.32Å; L12-P15 WeakPolarHBondContact O-CD 3.42Å; L12-P15 WeakPolarHBondContact O-CG 3.43Å; P15-L19 WeakPolarHBondContact O-CB 3.32Å; P15-L19 PolarHBondContact O-N 3.49Å |
| 16 | L | 59.9 | Low | 55 | Low | 119 Ų | 119 | 116.8 Ų | 116.8 | 62% | 0.623 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -67.5 | -39.1 | 172.8 | -104.3 | 99.7 | 0 | 0 | 0 | 112.5 | L12 L13 L14 L19 S20 | L12-L16 WeakPolarHBondContact O-CD1 3.45Å; L13-L16 PolarHBondContact O-N 3.34Å; L14-L16 VanDerWaalsContact C-N 3.35Å; L14-L16 PolarHBondContact O-N 2.83Å; L16-L19 PolarHBondContact O-N 3.39Å; L16-S20 PolarHBondContact O-N 3.01Å; L16-S20 PolarHBondContact O-OG 3.31Å; L16-S20 VanDerWaalsContact O-OG 3.08Å |
| 17 | L | 61.2 | Low | 55.5 | Low | 115 Ų | 115 | 115 Ų | 115 | 60% | 0.602 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -65.4 | -41.5 | 177.3 | -123 | 126.9 | 0 | 0 | 0 | 111.2 | L13 L14 S20 L21 | L13-L17 WeakPolarHBondContact O-CB 3.4Å; L13-L17 PolarHBondContact O-N 2.91Å; L14-L17 PolarHBondContact O-N 3.36Å; L17-S20 VanDerWaalsContact CA-OG 3.29Å; L17-S20 WeakPolarHBondContact CA-OG 3.43Å; L17-S20 PolarHBondContact O-N 3Å; L17-S20 PolarHBondContact O-OG 3.4Å; L17-L21 PolarHBondContact O-N 2.75Å |
| 18 | L | 60.1 | Low | 56 | Low | 107 Ų | 107 | 119.4 Ų | 119.4 | 56% | 0.56 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -64.6 | -41.2 | 174.3 | -97.6 | 118.8 | 0 | 0 | 0 | 112.4 | L14 L21 L22 | L14-L18 WeakPolarHBondContact O-CD1 3.34Å; L14-L18 PolarHBondContact O-N 3.06Å; L18-L21 PolarHBondContact O-N 3.08Å; L18-L22 WeakPolarHBondContact O-CD1 3.29Å; L18-L22 PolarHBondContact O-N 3.22Å |
| 19 | L | 61.2 | Low | 56.4 | Low | 117 Ų | 117 | 123.7 Ų | 123.7 | 61% | 0.613 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -67 | -37.2 | 176.7 | -159.1 | 74.6 | 0 | 0 | 0 | 111.7 | P15 L16 L21 L22 L23 | P15-L19 WeakPolarHBondContact O-CB 3.32Å; P15-L19 PolarHBondContact O-N 3.49Å; L16-L19 PolarHBondContact O-N 3.39Å; L19-L21 VanDerWaalsContact C-N 3.33Å; L19-L22 PolarHBondContact O-N 3.26Å; L19-L23 WeakPolarHBondContact O-CD1 3.4Å; L19-L23 PolarHBondContact O-N 3.39Å |
| 20 | S | 58.7 | Low | 56.6 | Low | 64 Ų | 64 | 120.6 Ų | 120.6 | 45% | 0.448 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -67.8 | -30.8 | 173.5 | 55.9 | 0 | 0 | 0 | 0 | 113.1 | L16 L17 L23 L24 | L16-S20 PolarHBondContact O-N 3.01Å; L16-S20 PolarHBondContact O-OG 3.31Å; L16-S20 VanDerWaalsContact O-OG 3.08Å; L17-S20 VanDerWaalsContact CA-OG 3.29Å; L17-S20 WeakPolarHBondContact CA-OG 3.43Å; L17-S20 PolarHBondContact O-N 3Å; L17-S20 PolarHBondContact O-OG 3.4Å; S20-L23 PolarHBondContact O-N 3.39Å; S20-L24 WeakPolarHBondContact O-CD1 3.44Å |
| 21 | L | 58.3 | Low | 56.6 | Low | 123 Ų | 123 | 117.3 Ų | 117.3 | 64% | 0.644 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -70.9 | -30.6 | 176.2 | -140.6 | 81 | 0 | 0 | 0 | 112.5 | L17 L18 L19 L23 L24 | L17-L21 PolarHBondContact O-N 2.75Å; L18-L21 PolarHBondContact O-N 3.08Å; L19-L21 VanDerWaalsContact C-N 3.33Å; L21-L23 VanDerWaalsContact C-N 3.33Å; L21-L24 HydrophobicContact CD1-CD1 4.42Å |
| 22 | L | 58.2 | Low | 56.3 | Low | 141 Ų | 141 | 118 Ų | 118 | 74% | 0.738 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -75.6 | -17.8 | 173.7 | -93.9 | 96.7 | 0 | 0 | 0 | 113.7 | L18 L19 | L18-L22 WeakPolarHBondContact O-CD1 3.29Å; L18-L22 PolarHBondContact O-N 3.22Å; L19-L22 PolarHBondContact O-N 3.26Å |
| 23 | L | 56.5 | Low | 55.9 | Low | 138 Ų | 138 | 123.5 Ų | 123.5 | 72% | 0.723 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -2.8 | 176.5 | -96.8 | 84.3 | 0 | 0 | 0 | 113.9 | L19 S20 L21 P25 | L19-L23 WeakPolarHBondContact O-CD1 3.4Å; L19-L23 PolarHBondContact O-N 3.39Å; S20-L23 PolarHBondContact O-N 3.39Å; L21-L23 VanDerWaalsContact C-N 3.33Å; L23-P25 WeakPolarHBondContact O-CD 3.33Å |
| 24 | L | 59.3 | Low | 55.2 | Low | 117 Ų | 117 | 122.4 Ų | 122.4 | 61% | 0.613 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -67.6 | 121.2 | 167 | -85.3 | 104.1 | 0 | 0 | 0 | 108.3 | S20 L21 A26 | S20-L24 WeakPolarHBondContact O-CD1 3.44Å; L21-L24 HydrophobicContact CD1-CD1 4.42Å; L24-A26 PolarHBondContact O-N 3.09Å; L24-A26 VanDerWaalsContact O-N 3.09Å |
| 25 | P | 58.1 | Low | 54.6 | Low | 118 Ų | 118 | 127.1 Ų | 127.1 | 77% | 0.766 | 69% | 0.687 | S | S | * | * | trans | -57.7 | 122.8 | 170.9 | 23.2 | -30 | 0 | 0 | 0 | 107.3 | L23 | L23-P25 WeakPolarHBondContact O-CD 3.33Š| ||
| 26 | A | 61.3 | Low | 53.7 | Low | 79 Ų | 79 | 127.5 Ų | 127.5 | 65% | 0.653 | 70% | 0.697 | S | S | * | * | trans | -45.8 | 133.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | L24 R28 | L24-A26 PolarHBondContact O-N 3.09Å; L24-A26 VanDerWaalsContact O-N 3.09Å; A26-R28 VanDerWaalsContact C-N 3.29Å; A26-R28 PolarHBondContact O-N 2.74Å | ||
| 27 | P | 53.8 | Low | 53 | Low | 118 Ų | 118 | 130.2 Ų | 130.2 | 77% | 0.766 | 71% | 0.706 | S | S | * | * | trans | -56.3 | 107.6 | 169.1 | 23.3 | -29.8 | 0 | 0 | 0 | 104.9 | L29 | P27-L29 PolarHBondContact O-N 2.86Š| ||
| 28 | R | 46.5 | Very low | 52.4 | Low | 237 Ų | 237 | 131.6 Ų | 131.6 | 89% | 0.894 | 71% | 0.714 | S | S | * | * | trans | -59.7 | 104.2 | 167.9 | -70.8 | -166.7 | 178.2 | -113 | 2 | 102.7 | A26 G30 | A26-R28 VanDerWaalsContact C-N 3.29Å; A26-R28 PolarHBondContact O-N 2.74Å; R28-G30 PolarHBondContact O-N 2.99Å | ||
| 29 | L | 54.3 | Low | 51.9 | Low | 163 Ų | 163 | 132.7 Ų | 132.7 | 85% | 0.853 | 73% | 0.725 | S | S | * | * | trans | -55.2 | 84 | 144.8 | -103.6 | 69 | 0 | 0 | 0 | 103.6 | P27 | P27-L29 PolarHBondContact O-N 2.86Š| ||
| 30 | G | 56.2 | Low | 51.7 | Low | 42 Ų | 42 | 133.6 Ų | 133.6 | 43% | 0.433 | 73% | 0.731 | S | S | . | * | trans | -52.3 | 147.6 | 156.3 | 0 | 0 | 0 | 0 | 0 | 105.6 | R28 T32 | R28-G30 PolarHBondContact O-N 2.99Å; G30-T32 PolarHBondContact O-N 2.93Å | ||
| 31 | P | 48.5 | Very low | 52 | Low | 129 Ų | 129 | 141.6 Ų | 141.6 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | trans | -49 | 115.8 | 173.6 | 21.3 | -30.2 | 0 | 0 | 0 | 106.3 | R33 | P31-R33 PolarHBondContact O-N 2.99Š| ||
| 32 | T | 45.9 | Very low | 53.2 | Low | 123 Ų | 123 | 138.1 Ų | 138.1 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | trans | -44 | 117.3 | 158.9 | 39.2 | 0 | 0 | 0 | 0 | 103.4 | G30 A34 | G30-T32 PolarHBondContact O-N 2.93Å; T32-A34 PolarHBondContact O-N 2.87Å | ||
| 33 | R | 44.8 | Very low | 54.6 | Low | 248 Ų | 248 | 138.4 Ų | 138.4 | 94% | 0.936 | 73% | 0.726 | S | S | * | * | trans | -56.6 | 90.8 | 166.8 | -120.2 | 177.2 | 173.6 | 173.9 | -3.3 | 103.4 | P31 R35 | P31-R33 PolarHBondContact O-N 2.99Å; R33-R35 VanDerWaalsContact C-N 3.34Å; R33-R35 PolarHBondContact O-N 3.26Å | ||
| 34 | A | 38.7 | Very low | 56.2 | Low | 83 Ų | 83 | 136.4 Ų | 136.4 | 69% | 0.686 | 72% | 0.716 | S | S | * | * | trans | -50.8 | 114.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 102.1 | T32 A36 | T32-A34 PolarHBondContact O-N 2.87Å; A34-A36 VanDerWaalsContact C-N 3.35Å; A34-A36 PolarHBondContact O-N 2.76Å | ||
| 35 | R | 45 | Very low | 57.8 | Low | 216 Ų | 216 | 131.1 Ų | 131.1 | 82% | 0.815 | 69% | 0.689 | S | S | * | * | trans | -40.2 | 108.5 | 169.7 | -166.6 | 178.8 | -173.4 | 159.3 | 0.9 | 104.9 | R33 E37 | R33-R35 VanDerWaalsContact C-N 3.34Å; R33-R35 PolarHBondContact O-N 3.26Å; R35-E37 PolarHBondContact O-N 2.7Å | ||
| 36 | A | 40.5 | Very low | 59.5 | Low | 81 Ų | 81 | 127.9 Ų | 127.9 | 67% | 0.669 | 67% | 0.669 | S | S | * | * | trans | -52.9 | 119.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 104.7 | A34 D38 | A34-A36 VanDerWaalsContact C-N 3.35Å; A34-A36 PolarHBondContact O-N 2.76Å; A36-D38 PolarHBondContact O-N 2.79Å | ||
| 37 | E | 45.3 | Very low | 61 | Low | 175 Ų | 175 | 130 Ų | 130 | 82% | 0.818 | 66% | 0.663 | S | S | * | * | trans | -57.5 | 114.4 | -178.6 | -63.6 | -178 | 116.9 | 0 | 0 | 106.6 | R35 T39 | R35-E37 PolarHBondContact O-N 2.7Å; E37-T39 PolarHBondContact O-N 3.2Å | ||
| 38 | D | 48.9 | Very low | 62.8 | Low | 145 Ų | 145 | 125 Ų | 125 | 78% | 0.775 | 63% | 0.631 | S | S | * | * | trans | -70.5 | 75.5 | 179 | -69 | -51.8 | 0 | 0 | 0 | 108.5 | A36 D40 | A36-D38 PolarHBondContact O-N 2.79Å; D38-D40 VanDerWaalsContact C-N 3.33Å | ||
| 39 | T | 49.3 | Very low | 65.1 | Low | 129 Ų | 129 | 113.9 Ų | 113.9 | 79% | 0.791 | 59% | 0.589 | S | S | * | * | trans | -95.2 | 8.6 | 166.2 | 56.9 | 0 | 0 | 0 | 0 | 111.9 | E37 W41 | E37-T39 PolarHBondContact O-N 3.2Å; T39-W41 PolarHBondContact O-N 2.92Å | ||
| 40 | D | 57.3 | Low | 67 | Low | 136 Ų | 136 | 106.1 Ų | 106.1 | 73% | 0.727 | 55% | 0.549 | S | S | * | . | trans | -87.6 | 104.6 | 173.7 | -107 | -11.8 | 0 | 0 | 0 | 109.3 | D38 V42 | D38-D40 VanDerWaalsContact C-N 3.33Å; D40-V42 PolarHBondContact O-N 3.1Å; D40-V42 VanDerWaalsContact O-N 3.12Å | ||
| 41 | W | 66.2 | Low | 68.8 | Low | 232 Ų | 232 | 104.1 Ų | 104.1 | 88% | 0.879 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -61.4 | -14.7 | 172.9 | -170.2 | -104.2 | 0 | 0 | 0 | 112.6 | T39 | T39-W41 PolarHBondContact O-N 2.92Š|
| 42 | V | 82.6 | Confident | 71 | Confident | 51 Ų | 51 | 98.7 Ų | 98.7 | 31% | 0.309 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -122.8 | 117 | -178 | 179 | 0 | 0 | 0 | 0 | 109.2 | D40 L44 A156 E157 | D40-V42 PolarHBondContact O-N 3.1Å; D40-V42 VanDerWaalsContact O-N 3.12Å; V42-L44 HydrophobicContact CG1-CD2 4.07Å; V42-A156 HydrophobicContact CG1-CB 4.22Å; V42-E157 HydrophobicContact CG1-CG 4.07Å |
| 43 | R | 87.4 | Confident | 73.3 | Confident | 147 Ų | 147 | 93.6 Ų | 93.6 | 56% | 0.555 | 46% | 0.458 | S | S | * | . | trans | -98.6 | 99.8 | 176.8 | -173.1 | -168.6 | 172.8 | -179.5 | -4.4 | 110.5 | R120 E157 | R43-R120 VanDerWaalsContact NE-NH1 3.13Å; R43-R120 PolarHBondContact O-NH2 2.57Å; R43-E157 WeakPolarHBondContact O-CG 3.39Å | ||
| 44 | L | 90.9 | Very high | 75.7 | Confident | 96 Ų | 96 | 81.8 Ų | 81.8 | 50% | 0.503 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 147.3 | 177.5 | -62.1 | -178.4 | 0 | 0 | 0 | 112.4 | V42 S46 R120 D160 | V42-L44 HydrophobicContact CG1-CD2 4.07Å; L44-S46 PolarHBondContact O-N 2.99Å; L44-R120 VanDerWaalsContact C-NH2 3.32Å; L44-R120 PolarHBondContact O-NH2 3.02Å; L44-D160 HydrophobicContact CD2-CB 3.93Å |
| 45 | P | 92.8 | Very high | 78.4 | Confident | 6 Ų | 6 | 77.8 Ų | 77.8 | 4% | 0.039 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -63 | 134.4 | 174.9 | 25.2 | -32.4 | 0 | 0 | 0 | 110.9 | V50 F121 D160 L161 Q164 | P45-V50 HydrophobicContact CB-CG2 3.83Å; P45-V50 HydrophobicContact CG-CG2 4.15Å; P45-F121 HydrophobicContact CB-CE2 4.16Å; P45-F121 HydrophobicContact CB-CZ 3.9Å; P45-D160 WeakPolarHBondContact CD-OD2 3.28Å; P45-D160 HydrophobicContact CG-CB 4.35Å; P45-L161 HydrophobicContact CB-CD1 4.34Å; P45-L161 HydrophobicContact CG-CB 4.09Å; P45-Q164 PolarHBondContact O-NE2 2.97Å; P45-Q164 VanDerWaalsContact O-NE2 3.11Å |
| 46 | S | 92.8 | Very high | 80.7 | Confident | 50 Ų | 50 | 70.4 Ų | 70.4 | 35% | 0.35 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 154.8 | 171.4 | 64.4 | 0 | 0 | 0 | 0 | 110.9 | L44 C48 E49 V50 | L44-S46 PolarHBondContact O-N 2.99Å; S46-C48 PolarHBondContact O-N 3.14Å; S46-E49 PolarHBondContact N-OE2 3.16Å; S46-E49 WeakPolarHBondContact O-CA 3.43Å; S46-E49 WeakPolarHBondContact O-CB 3.39Å; S46-E49 PolarHBondContact O-N 3.06Å; S46-E49 VanDerWaalsContact OG-CG 3.28Å; S46-E49 WeakPolarHBondContact OG-CG 3.16Å; S46-E49 PolarHBondContact OG-N 3.03Å; S46-E49 PolarHBondContact OG-OE2 3.3Å; S46-V50 WeakPolarHBondContact O-CG2 3.37Å; S46-V50 PolarHBondContact O-N 3.39Å |
| 47 | K | 92.6 | Very high | 83.3 | Confident | 122 Ų | 122 | 66.9 Ų | 66.9 | 53% | 0.53 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -52.1 | -33.4 | 174.9 | -66.3 | -165.4 | 174.4 | -154.4 | 0 | 113.3 | C51 | K47-C51 WeakPolarHBondContact O-CB 3.33Å; K47-C51 PolarHBondContact O-N 2.99Å |
| 48 | C | 93.3 | Very high | 85.6 | Confident | 13 Ų | 13 | 58.6 Ų | 58.6 | 9% | 0.088 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.9 | -49.5 | 175.4 | -162.9 | 0 | 0 | 0 | 0 | 111 | S46 V50 C51 K52 L198 D202 C205 | S46-C48 PolarHBondContact O-N 3.14Å; C48-V50 PolarHBondContact O-N 2.74Å; C48-C51 PolarHBondContact O-N 3.11Å; C48-K52 WeakPolarHBondContact O-CB 3.19Å; C48-K52 PolarHBondContact O-N 3.28Å; C48-L198 HydrophobicContact CB-CD1 4.2Å; C48-L198 HydrophobicContact CB-CD2 3.98Å; C48-L198 VanDerWaalsContact SG-CD1 3.58Å; C48-D202 PolarHBondContact SG-O 3.21Å; C48-D202 VanDerWaalsContact SG-O 3.33Å; C48-C205 VanDerWaalsContact CA-SG 3.52Å; C48-C205 HydrophobicContact CB-CB 3.9Å; C48-C205 WeakPolarHBondContact CB-SG 3.38Å; C48-C205 PolarHBondContact O-SG 3.39Å; C48-C205 WeakPolarHBondContact SG-CB 3.49Å; C48-C205 CovalentContact SG-SG 2.01Å; C48-C205 PolarHBondContact SG-SG 3.31Å |
| 49 | E | 93.1 | Very high | 87.7 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.019 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 177.7 | -69.8 | 168.2 | 141.6 | 0 | 0 | 111.6 | S46 K52 Y53 R120 F121 | S46-E49 PolarHBondContact N-OE2 3.16Å; S46-E49 WeakPolarHBondContact O-CA 3.43Å; S46-E49 WeakPolarHBondContact O-CB 3.39Å; S46-E49 PolarHBondContact O-N 3.06Å; S46-E49 VanDerWaalsContact OG-CG 3.28Å; S46-E49 WeakPolarHBondContact OG-CG 3.16Å; S46-E49 PolarHBondContact OG-N 3.03Å; S46-E49 PolarHBondContact OG-OE2 3.3Å; E49-K52 WeakPolarHBondContact O-CB 3.35Å; E49-K52 PolarHBondContact O-N 3.24Å; E49-Y53 WeakPolarHBondContact O-CD2 3.36Å; E49-Y53 PolarHBondContact O-N 2.86Å; E49-Y53 VanDerWaalsContact O-N 3.15Å; E49-R120 IonicContact OE1-CZ 3.48Å; E49-R120 IonicContact OE1-NE 2.89Å; E49-R120 IonicContact OE1-NH1 2.89Å; E49-R120 PolarHBondContact OE1-NH1 2.84Å; E49-R120 IonicContact OE2-CZ 3.99Å; E49-R120 IonicContact OE2-NH1 2.64Å; E49-R120 PolarHBondContact OE2-NH1 2.99Å; E49-R120 IonicContact OE2-NH2 2.91Å; E49-R120 PolarHBondContact OE2-NH2 3.31Å; E49-F121 HydrophobicContact CB-CE2 4.45Å |
| 50 | V | 94.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.4 | -54 | 176.4 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | P45 S46 C48 K52 Y53 V54 L161 Q164 L168 | P45-V50 HydrophobicContact CB-CG2 3.83Å; P45-V50 HydrophobicContact CG-CG2 4.15Å; S46-V50 WeakPolarHBondContact O-CG2 3.37Å; S46-V50 PolarHBondContact O-N 3.39Å; C48-V50 PolarHBondContact O-N 2.74Å; V50-K52 VanDerWaalsContact C-N 3.27Å; V50-K52 PolarHBondContact O-N 2.93Å; V50-Y53 PolarHBondContact O-N 3.03Å; V50-V54 HydrophobicContact CG1-CG2 4.12Å; V50-V54 VanDerWaalsContact O-CG2 3.3Å; V50-V54 WeakPolarHBondContact O-CG2 3.36Å; V50-V54 PolarHBondContact O-N 2.8Å; V50-L161 HydrophobicContact CB-CD1 4.1Å; V50-L161 HydrophobicContact CG1-CD1 4.2Å; V50-L161 HydrophobicContact CG2-CD1 3.76Å; V50-Q164 HydrophobicContact CB-CB 4.37Å; V50-Q164 HydrophobicContact CG1-CB 3.8Å; V50-Q164 HydrophobicContact CG2-CB 3.77Å; V50-Q164 HydrophobicContact CG2-CG 4.35Å; V50-Q164 VanDerWaalsContact CG2-OE1 3.26Å; V50-L168 HydrophobicContact CG1-CD1 4.16Å |
| 51 | C | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60 | -40.8 | -177.7 | -165.4 | 0 | 0 | 0 | 0 | 112 | K47 C48 Y53 V54 A55 L168 C193 V197 | K47-C51 WeakPolarHBondContact O-CB 3.33Å; K47-C51 PolarHBondContact O-N 2.99Å; C48-C51 PolarHBondContact O-N 3.11Å; C51-Y53 PolarHBondContact O-N 3.23Å; C51-V54 PolarHBondContact O-N 2.88Å; C51-A55 WeakPolarHBondContact O-CB 3.11Å; C51-A55 PolarHBondContact O-N 2.95Å; C51-L168 HydrophobicContact CB-CD1 3.93Å; C51-C193 HydrophobicContact CB-CB 3.82Å; C51-C193 WeakPolarHBondContact CB-SG 3.39Å; C51-C193 PolarHBondContact O-SG 2.81Å; C51-C193 WeakPolarHBondContact SG-CA 3.45Å; C51-C193 WeakPolarHBondContact SG-CB 3.41Å; C51-C193 CovalentContact SG-SG 2.03Å; C51-C193 PolarHBondContact SG-SG 3.14Å; C51-V197 HydrophobicContact CB-CB 4.4Å; C51-V197 HydrophobicContact CB-CG1 4.08Å; C51-V197 VanDerWaalsContact SG-CG2 3.59Å |
| 52 | K | 94.4 | Very high | 92.7 | Very high | 15 Ų | 15 | 33.9 Ų | 33.9 | 7% | 0.065 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -53.5 | -53.1 | 175.7 | -176.7 | -175 | -177.6 | 164.6 | 0 | 111.7 | C48 E49 V50 A55 V56 S118 C205 L206 E208 | C48-K52 WeakPolarHBondContact O-CB 3.19Å; C48-K52 PolarHBondContact O-N 3.28Å; E49-K52 WeakPolarHBondContact O-CB 3.35Å; E49-K52 PolarHBondContact O-N 3.24Å; V50-K52 VanDerWaalsContact C-N 3.27Å; V50-K52 PolarHBondContact O-N 2.93Å; K52-A55 PolarHBondContact O-N 3.39Å; K52-V56 WeakPolarHBondContact O-CB 3.46Å; K52-V56 WeakPolarHBondContact O-CG2 3.21Å; K52-V56 PolarHBondContact O-N 3.15Å; K52-S118 PolarHBondContact NZ-OG 3.4Å; K52-C205 WeakPolarHBondContact CD-O 3.15Å; K52-C205 WeakPolarHBondContact CE-O 3.38Å; K52-C205 PolarHBondContact NZ-O 3.42Å; K52-L206 HydrophobicContact CB-CD2 3.85Å; K52-L206 HydrophobicContact CG-CD2 4.26Å; K52-E208 PolarHBondContact NZ-O 2.96Å |
| 53 | Y | 94.1 | Very high | 93.1 | Very high | 15 Ų | 15 | 36.9 Ų | 36.9 | 6% | 0.059 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -72.3 | -35.2 | -176.1 | -74.4 | -69.3 | 0 | 0 | 0 | 112.6 | E49 V50 C51 E57 Y109 S118 F121 | E49-Y53 WeakPolarHBondContact O-CD2 3.36Å; E49-Y53 PolarHBondContact O-N 2.86Å; E49-Y53 VanDerWaalsContact O-N 3.15Å; V50-Y53 PolarHBondContact O-N 3.03Å; C51-Y53 PolarHBondContact O-N 3.23Å; Y53-E57 WeakPolarHBondContact O-CB 3.43Å; Y53-E57 PolarHBondContact O-N 2.98Å; Y53-Y109 HydrophobicContact CD1-CD1 4.11Å; Y53-Y109 AromaticContact CD1-CE1 3.41Å; Y53-Y109 HydrophobicContact CD1-CE1 3.41Å; Y53-Y109 VanDerWaalsContact CD1-CE1 3.41Å; Y53-Y109 AromaticContact CD1-CZ 3.78Å; Y53-Y109 HydrophobicContact CE1-CD1 4.17Å; Y53-Y109 AromaticContact CE1-CE1 3.55Å; Y53-Y109 HydrophobicContact CE1-CE1 3.55Å; Y53-Y109 HydrophobicContact CG-CE1 4.42Å; Y53-S118 VanDerWaalsContact CE2-O 3.28Å; Y53-S118 WeakPolarHBondContact CE2-O 3.33Å; Y53-S118 PolarHBondContact OH-O 2.83Å; Y53-F121 HydrophobicContact CD2-CB 4.16Å; Y53-F121 HydrophobicContact CD2-CD2 4.14Å; Y53-F121 HydrophobicContact CD2-CG 4.43Å; Y53-F121 HydrophobicContact CE1-CB 4.18Å; Y53-F121 WeakPolarHBondContact CE1-O 3.41Å; Y53-F121 HydrophobicContact CE2-CB 3.64Å; Y53-F121 AromaticContact CE2-CD2 3.67Å; Y53-F121 HydrophobicContact CE2-CD2 3.67Å; Y53-F121 HydrophobicContact CE2-CG 4.06Å; Y53-F121 PolarHBondContact OH-O 2.92Å |
| 54 | V | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60 | -50.6 | 171.9 | 175.8 | 0 | 0 | 0 | 0 | 110.5 | V50 C51 V56 E57 L58 L106 C165 L168 V169 | V50-V54 HydrophobicContact CG1-CG2 4.12Å; V50-V54 VanDerWaalsContact O-CG2 3.3Å; V50-V54 WeakPolarHBondContact O-CG2 3.36Å; V50-V54 PolarHBondContact O-N 2.8Å; C51-V54 PolarHBondContact O-N 2.88Å; V54-V56 PolarHBondContact O-N 3.21Å; V54-E57 PolarHBondContact O-N 2.97Å; V54-L58 WeakPolarHBondContact O-CB 3.27Å; V54-L58 PolarHBondContact O-N 3.08Å; V54-L106 HydrophobicContact CG2-CD1 4.01Å; V54-C165 HydrophobicContact CG2-CB 3.8Å; V54-C165 VanDerWaalsContact CG2-SG 3.58Å; V54-L168 HydrophobicContact CG1-CD2 4.12Å; V54-V169 HydrophobicContact CG1-CG2 4.25Å |
| 55 | A | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.2 | -41.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | C51 K52 L58 K59 L188 T189 | C51-A55 WeakPolarHBondContact O-CB 3.11Å; C51-A55 PolarHBondContact O-N 2.95Å; K52-A55 PolarHBondContact O-N 3.39Å; A55-L58 PolarHBondContact O-N 2.99Å; A55-K59 VanDerWaalsContact O-CB 3.27Å; A55-K59 WeakPolarHBondContact O-CB 3.43Å; A55-K59 PolarHBondContact O-N 2.92Å; A55-L188 HydrophobicContact CB-CG 4.43Å; A55-T189 HydrophobicContact CB-CG2 4.18Å |
| 56 | V | 93.4 | Very high | 92.8 | Very high | 61 Ų | 61 | 32 Ų | 32 | 37% | 0.37 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.6 | -46.8 | 177.3 | 167.5 | 0 | 0 | 0 | 0 | 111.4 | K52 V54 S60 | K52-V56 WeakPolarHBondContact O-CB 3.46Å; K52-V56 WeakPolarHBondContact O-CG2 3.21Å; K52-V56 PolarHBondContact O-N 3.15Å; V54-V56 PolarHBondContact O-N 3.21Å; V56-S60 PolarHBondContact O-N 3.49Å |
| 57 | E | 94.3 | Very high | 92.3 | Very high | 7 Ų | 7 | 37.2 Ų | 37.2 | 3% | 0.033 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67 | -42.5 | 177.7 | -78.4 | -62.2 | 130.3 | 0 | 0 | 111 | Y53 V54 K59 S60 A61 I102 R105 L106 Y109 K123 | Y53-E57 WeakPolarHBondContact O-CB 3.43Å; Y53-E57 PolarHBondContact O-N 2.98Å; V54-E57 PolarHBondContact O-N 2.97Å; E57-K59 VanDerWaalsContact C-N 3.3Å; E57-K59 PolarHBondContact O-N 2.93Å; E57-S60 WeakPolarHBondContact O-CB 3.18Å; E57-S60 PolarHBondContact O-N 2.67Å; E57-S60 VanDerWaalsContact O-N 3.1Å; E57-A61 WeakPolarHBondContact O-CB 2.91Å; E57-A61 PolarHBondContact O-N 3.41Å; E57-I102 VanDerWaalsContact C-CD1 3.47Å; E57-I102 HydrophobicContact CB-CD1 3.57Å; E57-I102 HydrophobicContact CB-CG1 3.98Å; E57-R105 IonicContact OE2-CZ 3.11Å; E57-R105 IonicContact OE2-NE 3.17Å; E57-R105 PolarHBondContact OE2-NE 2.85Å; E57-R105 IonicContact OE2-NH2 3.94Å; E57-R105 PolarHBondContact OE2-NH2 2.79Å; E57-L106 HydrophobicContact CG-CD2 4.04Å; E57-Y109 HydrophobicContact CG-CE2 3.85Å; E57-Y109 PolarHBondContact OE1-OH 3.47Å; E57-K123 VanDerWaalsContact CD-NZ 3.29Å; E57-K123 WeakPolarHBondContact OE1-CE 3.38Å; E57-K123 IonicContact OE1-NZ 3.06Å; E57-K123 PolarHBondContact OE1-NZ 2.94Å; E57-K123 IonicContact OE2-NZ 2.95Å; E57-K123 PolarHBondContact OE2-NZ 2.92Å |
| 58 | L | 94.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62 | -41.9 | -177.9 | -173.5 | 54.4 | 0 | 0 | 0 | 110.4 | V54 A55 A61 F62 V98 T99 I102 I176 L188 | V54-L58 WeakPolarHBondContact O-CB 3.27Å; V54-L58 PolarHBondContact O-N 3.08Å; A55-L58 PolarHBondContact O-N 2.99Å; L58-A61 PolarHBondContact O-N 3.31Å; L58-F62 HydrophobicContact CD1-CD2 4.1Å; L58-F62 HydrophobicContact CD1-CE2 3.42Å; L58-F62 VanDerWaalsContact CD1-CE2 3.42Å; L58-F62 HydrophobicContact CD1-CZ 3.74Å; L58-F62 HydrophobicContact CD2-CE2 4.29Å; L58-F62 HydrophobicContact CG-CD2 4.07Å; L58-F62 HydrophobicContact CG-CE2 3.54Å; L58-F62 HydrophobicContact CG-CZ 4.33Å; L58-F62 WeakPolarHBondContact O-CD2 3.3Å; L58-F62 WeakPolarHBondContact O-CG 3.48Å; L58-F62 PolarHBondContact O-N 3.26Å; L58-V98 HydrophobicContact CD1-CG1 3.52Å; L58-T99 HydrophobicContact CD1-CG2 4.49Å; L58-I102 HydrophobicContact CB-CG1 4.23Å; L58-I102 HydrophobicContact CD1-CG1 4.41Å; L58-I176 HydrophobicContact CD2-CD1 4.18Å; L58-I176 HydrophobicContact CD2-CG1 4.27Å; L58-I176 HydrophobicContact CD2-CG2 3.96Å; L58-L188 HydrophobicContact CB-CD2 3.7Å; L58-L188 HydrophobicContact CD2-CD2 3.68Å; L58-L188 HydrophobicContact CG-CD2 3.54Å |
| 59 | K | 93.1 | Very high | 91 | Very high | 70 Ų | 70 | 42.6 Ų | 42.6 | 30% | 0.304 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.4 | -47.8 | 171.3 | -173.4 | 177.2 | -177.7 | 176.5 | 0 | 112.1 | A55 E57 A61 F62 E63 D187 | A55-K59 VanDerWaalsContact O-CB 3.27Å; A55-K59 WeakPolarHBondContact O-CB 3.43Å; A55-K59 PolarHBondContact O-N 2.92Å; E57-K59 VanDerWaalsContact C-N 3.3Å; E57-K59 PolarHBondContact O-N 2.93Å; K59-A61 PolarHBondContact O-N 2.91Å; K59-F62 PolarHBondContact O-N 3.13Å; K59-E63 WeakPolarHBondContact CE-OE1 3.46Å; K59-E63 WeakPolarHBondContact O-CG 3.25Å; K59-E63 PolarHBondContact O-N 3.09Å; K59-D187 IonicContact NZ-OD2 3.51Å; K59-D187 PolarHBondContact NZ-OD2 3Å |
| 60 | S | 93.3 | Very high | 90.4 | Very high | 38 Ų | 38 | 48 Ų | 48 | 27% | 0.266 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.6 | -43.6 | 177.5 | -167.8 | 0 | 0 | 0 | 0 | 112 | V56 E57 F62 E63 E64 | V56-S60 PolarHBondContact O-N 3.49Å; E57-S60 WeakPolarHBondContact O-CB 3.18Å; E57-S60 PolarHBondContact O-N 2.67Å; E57-S60 VanDerWaalsContact O-N 3.1Å; S60-F62 PolarHBondContact O-N 2.82Å; S60-E63 PolarHBondContact O-N 3.21Å; S60-E64 WeakPolarHBondContact O-CB 3.39Å; S60-E64 WeakPolarHBondContact O-CG 3.26Å; S60-E64 PolarHBondContact O-N 3.13Å; S60-E64 PolarHBondContact OG-OE1 2.88Å |
| 61 | A | 93.2 | Very high | 89.7 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 2% | 0.017 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.7 | -40 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E57 L58 K59 E64 T65 V98 I102 | E57-A61 WeakPolarHBondContact O-CB 2.91Å; E57-A61 PolarHBondContact O-N 3.41Å; L58-A61 PolarHBondContact O-N 3.31Å; K59-A61 PolarHBondContact O-N 2.91Å; A61-E64 PolarHBondContact O-N 3.33Å; A61-T65 WeakPolarHBondContact O-CB 3.23Å; A61-T65 WeakPolarHBondContact O-CG2 3.32Å; A61-T65 PolarHBondContact O-N 3.34Å; A61-T65 PolarHBondContact O-OG1 3.35Å; A61-V98 HydrophobicContact CB-CG1 3.59Å; A61-V98 HydrophobicContact CB-CG2 4.49Å; A61-I102 HydrophobicContact CB-CD1 3.94Å |
| 62 | F | 92 | Very high | 88.9 | Confident | 12 Ų | 12 | 54.9 Ų | 54.9 | 5% | 0.053 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 171 | -70.8 | -48.8 | 0 | 0 | 0 | 112 | L58 K59 S60 E64 T65 G66 R94 L95 V98 W179 Y180 | L58-F62 HydrophobicContact CD1-CD2 4.1Å; L58-F62 HydrophobicContact CD1-CE2 3.42Å; L58-F62 VanDerWaalsContact CD1-CE2 3.42Å; L58-F62 HydrophobicContact CD1-CZ 3.74Å; L58-F62 HydrophobicContact CD2-CE2 4.29Å; L58-F62 HydrophobicContact CG-CD2 4.07Å; L58-F62 HydrophobicContact CG-CE2 3.54Å; L58-F62 HydrophobicContact CG-CZ 4.33Å; L58-F62 WeakPolarHBondContact O-CD2 3.3Å; L58-F62 WeakPolarHBondContact O-CG 3.48Å; L58-F62 PolarHBondContact O-N 3.26Å; K59-F62 PolarHBondContact O-N 3.13Å; S60-F62 PolarHBondContact O-N 2.82Å; F62-E64 VanDerWaalsContact C-N 3.29Å; F62-E64 PolarHBondContact O-N 2.75Å; F62-T65 WeakPolarHBondContact CA-OG1 3.21Å; F62-T65 PolarHBondContact O-N 2.87Å; F62-T65 PolarHBondContact O-OG1 3.23Å; F62-G66 WeakPolarHBondContact O-CA 3.35Å; F62-G66 PolarHBondContact O-N 2.64Å; F62-R94 VanDerWaalsContact C-NH2 3.34Å; F62-R94 PolarHBondContact O-NH2 3.48Å; F62-L95 HydrophobicContact CE1-CD1 4.02Å; F62-L95 HydrophobicContact CZ-CD1 3.53Å; F62-V98 HydrophobicContact CD1-CB 4.2Å; F62-V98 HydrophobicContact CD1-CG1 3.94Å; F62-V98 HydrophobicContact CD1-CG2 4.02Å; F62-V98 HydrophobicContact CE1-CB 3.72Å; F62-V98 HydrophobicContact CE1-CG1 3.63Å; F62-V98 HydrophobicContact CE1-CG2 3.98Å; F62-V98 HydrophobicContact CE2-CG1 4.39Å; F62-V98 HydrophobicContact CG-CG1 4.42Å; F62-V98 HydrophobicContact CZ-CB 4.29Å; F62-V98 HydrophobicContact CZ-CG1 3.87Å; F62-W179 HydrophobicContact CD2-CH2 4.41Å; F62-W179 AromaticContact CD2-CZ3 3.77Å; F62-W179 HydrophobicContact CD2-CZ3 3.77Å; F62-W179 HydrophobicContact CE2-CE3 4.49Å; F62-W179 AromaticContact CE2-CZ3 3.87Å; F62-W179 HydrophobicContact CE2-CZ3 3.87Å; F62-Y180 HydrophobicContact CD1-CD2 4.14Å; F62-Y180 AromaticContact CD1-CE2 3.81Å; F62-Y180 HydrophobicContact CD1-CE2 3.81Å; F62-Y180 AromaticContact CE1-CD2 3.71Å; F62-Y180 HydrophobicContact CE1-CD2 3.71Å; F62-Y180 AromaticContact CE1-CE2 3.6Å; F62-Y180 HydrophobicContact CE1-CE2 3.6Å; F62-Y180 HydrophobicContact CE2-CD2 4.3Å; F62-Y180 AromaticContact CZ-CD2 3.81Å; F62-Y180 HydrophobicContact CZ-CD2 3.81Å; F62-Y180 HydrophobicContact CZ-CE2 4.2Å |
| 63 | E | 91.3 | Very high | 87.9 | Confident | 115 Ų | 115 | 58.9 Ų | 58.9 | 54% | 0.537 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.5 | -31.1 | 176.5 | -72.8 | 178.9 | -168.7 | 0 | 0 | 113.5 | K59 S60 K67 | K59-E63 WeakPolarHBondContact CE-OE1 3.46Å; K59-E63 WeakPolarHBondContact O-CG 3.25Å; K59-E63 PolarHBondContact O-N 3.09Å; S60-E63 PolarHBondContact O-N 3.21Å; E63-K67 VanDerWaalsContact O-CE 3.28Å; E63-K67 WeakPolarHBondContact O-CE 3.32Å; E63-K67 PolarHBondContact O-NZ 3.25Å |
| 64 | E | 90.5 | Very high | 86.8 | Confident | 85 Ų | 85 | 62 Ų | 62 | 40% | 0.397 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69 | -52.8 | 174.4 | -73.6 | 160.8 | -148 | 0 | 0 | 111.3 | S60 A61 F62 G66 R105 | S60-E64 WeakPolarHBondContact O-CB 3.39Å; S60-E64 WeakPolarHBondContact O-CG 3.26Å; S60-E64 PolarHBondContact O-N 3.13Å; S60-E64 PolarHBondContact OG-OE1 2.88Å; A61-E64 PolarHBondContact O-N 3.33Å; F62-E64 VanDerWaalsContact C-N 3.29Å; F62-E64 PolarHBondContact O-N 2.75Å; E64-G66 VanDerWaalsContact C-N 3.35Å; E64-R105 IonicContact OE1-CZ 3.99Å; E64-R105 IonicContact OE1-NH1 3.41Å; E64-R105 IonicContact OE1-NH2 2.93Å; E64-R105 PolarHBondContact OE1-NH2 3.37Å; E64-R105 IonicContact OE2-CZ 2.94Å; E64-R105 IonicContact OE2-NH1 3.41Å; E64-R105 PolarHBondContact OE2-NH1 2.65Å; E64-R105 IonicContact OE2-NH2 3.31Å; E64-R105 PolarHBondContact OE2-NH2 2.94Å |
| 65 | T | 87.7 | Confident | 85.3 | Confident | 32 Ų | 32 | 63.9 Ų | 63.9 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -73.4 | -24 | -178.9 | 55 | 0 | 0 | 0 | 0 | 113.1 | A61 F62 K67 T68 R94 V98 | A61-T65 WeakPolarHBondContact O-CB 3.23Å; A61-T65 WeakPolarHBondContact O-CG2 3.32Å; A61-T65 PolarHBondContact O-N 3.34Å; A61-T65 PolarHBondContact O-OG1 3.35Å; F62-T65 WeakPolarHBondContact CA-OG1 3.21Å; F62-T65 PolarHBondContact O-N 2.87Å; F62-T65 PolarHBondContact O-OG1 3.23Å; T65-K67 PolarHBondContact O-N 2.97Å; T65-T68 PolarHBondContact O-N 2.01Å; T65-T68 PolarHBondContact O-OG1 3.11Å; T65-R94 PolarHBondContact OG1-NE 3.03Å; T65-R94 PolarHBondContact OG1-NH2 3.07Å; T65-V98 HydrophobicContact CG2-CG2 3.93Å |
| 66 | G | 84.9 | Confident | 83.8 | Confident | 30 Ų | 30 | 74.2 Ų | 74.2 | 31% | 0.309 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -10.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | F62 E64 T68 | F62-G66 WeakPolarHBondContact O-CA 3.35Å; F62-G66 PolarHBondContact O-N 2.64Å; E64-G66 VanDerWaalsContact C-N 3.35Å; G66-T68 VanDerWaalsContact C-N 3.34Å |
| 67 | K | 83.8 | Confident | 82.2 | Confident | 158 Ų | 158 | 73.9 Ų | 73.9 | 69% | 0.687 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -20.9 | 177.7 | -69.2 | 163.2 | -173.4 | 149.9 | 0 | 112.5 | E63 T65 | E63-K67 VanDerWaalsContact O-CE 3.28Å; E63-K67 WeakPolarHBondContact O-CE 3.32Å; E63-K67 PolarHBondContact O-NZ 3.25Å; T65-K67 PolarHBondContact O-N 2.97Å |
| 68 | T | 80.7 | Confident | 80.4 | Confident | 48 Ų | 48 | 80.3 Ų | 80.3 | 29% | 0.294 | 42% | 0.423 | S | S | . | . | trans | -77.2 | 135.3 | 177.3 | 62.4 | 0 | 0 | 0 | 0 | 109.6 | T65 G66 Y88 | T65-T68 PolarHBondContact O-N 2.01Å; T65-T68 PolarHBondContact O-OG1 3.11Å; G66-T68 VanDerWaalsContact C-N 3.34Å; T68-Y88 WeakPolarHBondContact OG1-CD1 3.47Å; T68-Y88 WeakPolarHBondContact OG1-CE1 3.48Å | ||
| 69 | K | 77.9 | Confident | 78.8 | Confident | 201 Ų | 201 | 87 Ų | 87 | 87% | 0.874 | 46% | 0.458 | S | S | * | . | trans | -106 | 36.8 | 179.9 | -65.7 | -175.3 | 179.8 | -179.5 | 0 | 111.2 | ||||
| 70 | E | 79.3 | Confident | 77 | Confident | 117 Ų | 117 | 92.2 Ų | 92.2 | 55% | 0.547 | 49% | 0.489 | S | S | . | . | trans | -75.4 | 142.1 | -177.4 | -67.1 | 174.5 | -158.8 | 0 | 0 | 110.1 | Y88 | E70-Y88 HydrophobicContact CB-CG 4.48Å; E70-Y88 VanDerWaalsContact O-CB 3.28Å; E70-Y88 WeakPolarHBondContact O-CB 3.49Å; E70-Y88 PolarHBondContact O-N 3.15Å | ||
| 71 | V | 81.1 | Confident | 75.4 | Confident | 95 Ų | 95 | 101.3 Ų | 101.3 | 58% | 0.576 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 118.2 | 176.1 | -179.2 | 0 | 0 | 0 | 0 | 106.4 | G85 V86 | V71-G85 VanDerWaalsContact CG1-CA 3.5Å; V71-V86 CarbonylContact C-O 3.28Å; V71-V86 WeakPolarHBondContact CA-O 3.27Å |
| 72 | I | 78.3 | Confident | 73.8 | Confident | 51 Ų | 51 | 111.1 Ų | 111.1 | 26% | 0.262 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.2 | 125.9 | 177.4 | -55.4 | 172.5 | 0 | 0 | 0 | 107.2 | T74 G85 V86 Y88 S91 L93 | I72-T74 PolarHBondContact O-N 3.33Å; I72-G85 CarbonylContact O-C 3.59Å; I72-G85 WeakPolarHBondContact O-CA 3.44Å; I72-V86 PolarHBondContact N-O 3.46Å; I72-V86 PolarHBondContact O-N 2.92Å; I72-Y88 HydrophobicContact CD1-CD2 4.12Å; I72-S91 WeakPolarHBondContact CD1-OG 3.28Å; I72-L93 HydrophobicContact CD1-CB 4.32Å; I72-L93 HydrophobicContact CD1-CD1 4.37Å; I72-L93 HydrophobicContact CD1-CD2 4.49Å |
| 73 | D | 72.3 | Confident | 72.3 | Confident | 99 Ų | 99 | 112.7 Ų | 112.7 | 53% | 0.529 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80 | 116.3 | 168 | -168.6 | -6.9 | 0 | 0 | 0 | 109 | G75 A83 | D73-G75 VanDerWaalsContact C-N 3.28Å; D73-G75 PolarHBondContact OD1-N 2.03Å; D73-A83 WeakPolarHBondContact OD1-CB 3.41Å; D73-A83 VanDerWaalsContact OD2-CB 3.26Å; D73-A83 WeakPolarHBondContact OD2-CB 3.02Å |
| 74 | T | 71.5 | Confident | 71.1 | Confident | 81 Ų | 81 | 110.9 Ų | 110.9 | 50% | 0.497 | 58% | 0.575 | S | S | . | * | trans | -87.7 | 5.1 | 177.8 | 59 | 0 | 0 | 0 | 0 | 112.8 | I72 S84 V86 | I72-T74 PolarHBondContact O-N 3.33Å; T74-S84 PolarHBondContact OG1-O 3.1Å; T74-S84 PolarHBondContact OG1-OG 3.13Å; T74-S84 VanDerWaalsContact OG1-OG 3.13Å; T74-V86 HydrophobicContact CG2-CB 4.19Å; T74-V86 HydrophobicContact CG2-CG2 3.67Å | ||
| 75 | G | 63.6 | Low | 70.3 | Confident | 39 Ų | 39 | 109.1 Ų | 109.1 | 40% | 0.402 | 58% | 0.58 | S | S | . | * | trans | -91 | 109.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D73 G77 | D73-G75 VanDerWaalsContact C-N 3.28Å; D73-G75 PolarHBondContact OD1-N 2.03Å; G75-G77 VanDerWaalsContact C-N 3.27Å; G75-G77 PolarHBondContact O-N 3.19Å | ||
| 76 | Y | 63.7 | Low | 69.9 | Low | 217 Ų | 217 | 110.2 Ų | 110.2 | 85% | 0.851 | 59% | 0.587 | S | S | * | * | trans | -88.1 | 71.2 | 155.3 | -156 | -94.6 | 0 | 0 | 0 | 108.8 | I78 | Y76-I78 HydrophobicContact CE1-CD1 4.07Å; Y76-I78 HydrophobicContact CE1-CG1 4.5Å; Y76-I78 PolarHBondContact O-N 2.98Å | ||
| 77 | G | 58.9 | Low | 69.9 | Low | 54 Ų | 54 | 115.5 Ų | 115.5 | 56% | 0.557 | 60% | 0.601 | S | S | * | * | trans | -95.4 | 87.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G75 L79 | G75-G77 VanDerWaalsContact C-N 3.27Å; G75-G77 PolarHBondContact O-N 3.19Å; G77-L79 PolarHBondContact O-N 3.25Å | ||
| 78 | I | 57.9 | Low | 69.9 | Low | 142 Ų | 142 | 109.1 Ų | 109.1 | 73% | 0.728 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -68.2 | -11.2 | 161.2 | -75.5 | 170.8 | 0 | 0 | 0 | 111.2 | Y76 | Y76-I78 HydrophobicContact CE1-CD1 4.07Å; Y76-I78 HydrophobicContact CE1-CG1 4.5Å; Y76-I78 PolarHBondContact O-N 2.98Å |
| 79 | L | 60.6 | Low | 70.1 | Confident | 142 Ų | 142 | 108.7 Ų | 108.7 | 74% | 0.743 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -136.6 | 134.5 | 177.3 | -59.8 | 172.3 | 0 | 0 | 0 | 108.9 | G77 R81 | G77-L79 PolarHBondContact O-N 3.25Å; L79-R81 PolarHBondContact O-N 2.74Å |
| 80 | D | 54.6 | Low | 70.4 | Confident | 179 Ų | 179 | 106.4 Ų | 106.4 | 96% | 0.957 | 56% | 0.56 | S | S | * | * | trans | -46.7 | 65.4 | -175 | -70.5 | -56 | 0 | 0 | 0 | 116.4 | ||||
| 81 | R | 59.9 | Low | 70.8 | Confident | 228 Ų | 228 | 101.3 Ų | 101.3 | 86% | 0.86 | 54% | 0.538 | S | S | * | . | trans | -110.8 | 114.7 | 164.1 | -70.8 | -162.4 | 172.9 | -150.6 | -0.2 | 108.2 | L79 A83 | L79-R81 PolarHBondContact O-N 2.74Å; R81-A83 PolarHBondContact O-N 2.86Å | ||
| 82 | K | 59.4 | Low | 71.1 | Confident | 208 Ų | 208 | 100.3 Ų | 100.3 | 90% | 0.904 | 53% | 0.529 | S | S | * | . | trans | -43.4 | 106.7 | -177.9 | -165.2 | 171.9 | -171.9 | 174.3 | 0 | 111.2 | S84 | K82-S84 PolarHBondContact O-N 3.13Å; K82-S84 VanDerWaalsContact O-N 3.09Å | ||
| 83 | A | 61.4 | Low | 71.7 | Confident | 45 Ų | 45 | 101.8 Ų | 101.8 | 37% | 0.372 | 54% | 0.537 | S | S | . | . | trans | -35.1 | 109.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | D73 R81 G85 | D73-A83 WeakPolarHBondContact OD1-CB 3.41Å; D73-A83 VanDerWaalsContact OD2-CB 3.26Å; D73-A83 WeakPolarHBondContact OD2-CB 3.02Å; R81-A83 PolarHBondContact O-N 2.86Å; A83-G85 PolarHBondContact O-N 3.04Å | ||
| 84 | S | 65.8 | Low | 72.6 | Confident | 77 Ų | 77 | 97.5 Ų | 97.5 | 54% | 0.538 | 51% | 0.514 | S | S | . | . | trans | -81.6 | 94.4 | 171.6 | 54.7 | 0 | 0 | 0 | 0 | 108.2 | T74 K82 V86 | T74-S84 PolarHBondContact OG1-O 3.1Å; T74-S84 PolarHBondContact OG1-OG 3.13Å; T74-S84 VanDerWaalsContact OG1-OG 3.13Å; K82-S84 PolarHBondContact O-N 3.13Å; K82-S84 VanDerWaalsContact O-N 3.09Å; S84-V86 PolarHBondContact O-N 2.93Å; S84-V86 VanDerWaalsContact O-N 3.15Å | ||
| 85 | G | 72.2 | Confident | 73.6 | Confident | 48 Ų | 48 | 94 Ų | 94 | 50% | 0.495 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 115.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V71 I72 A83 | V71-G85 VanDerWaalsContact CG1-CA 3.5Å; I72-G85 CarbonylContact O-C 3.59Å; I72-G85 WeakPolarHBondContact O-CA 3.44Å; A83-G85 PolarHBondContact O-N 3.04Å |
| 86 | V | 81.1 | Confident | 75 | Confident | 56 Ų | 56 | 96.3 Ų | 96.3 | 34% | 0.339 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 134 | 174.5 | 179.2 | 0 | 0 | 0 | 0 | 108.7 | V71 I72 T74 S84 Y88 | V71-V86 CarbonylContact C-O 3.28Å; V71-V86 WeakPolarHBondContact CA-O 3.27Å; I72-V86 PolarHBondContact N-O 3.46Å; I72-V86 PolarHBondContact O-N 2.92Å; T74-V86 HydrophobicContact CG2-CB 4.19Å; T74-V86 HydrophobicContact CG2-CG2 3.67Å; S84-V86 PolarHBondContact O-N 2.93Å; S84-V86 VanDerWaalsContact O-N 3.15Å; V86-Y88 PolarHBondContact O-N 3.2Å |
| 87 | K | 83.9 | Confident | 76.3 | Confident | 140 Ų | 140 | 90.1 Ų | 90.1 | 61% | 0.609 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 131.6 | 176.6 | -65.9 | 178.1 | -179.2 | 174.8 | 0 | 109.7 | T89 K90 S91 | K87-T89 PolarHBondContact O-N 3.5Å; K87-K90 CarbonylContact O-C 3.55Å; K87-K90 PolarHBondContact O-N 3.09Å; K87-S91 PolarHBondContact O-N 3.41Å; K87-S91 VanDerWaalsContact O-N 3.1Å |
| 88 | Y | 84.1 | Confident | 78 | Confident | 24 Ų | 24 | 87.7 Ų | 87.7 | 9% | 0.094 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -54 | -37.1 | 174.8 | 174.9 | -99.1 | 0 | 0 | 0 | 112.1 | T68 E70 I72 V86 K90 S91 L93 R94 E97 | T68-Y88 WeakPolarHBondContact OG1-CD1 3.47Å; T68-Y88 WeakPolarHBondContact OG1-CE1 3.48Å; E70-Y88 HydrophobicContact CB-CG 4.48Å; E70-Y88 VanDerWaalsContact O-CB 3.28Å; E70-Y88 WeakPolarHBondContact O-CB 3.49Å; E70-Y88 PolarHBondContact O-N 3.15Å; I72-Y88 HydrophobicContact CD1-CD2 4.12Å; V86-Y88 PolarHBondContact O-N 3.2Å; Y88-K90 PolarHBondContact O-N 3.43Å; Y88-S91 PolarHBondContact O-N 3.38Å; Y88-S91 VanDerWaalsContact O-N 3.13Å; Y88-S91 PolarHBondContact O-OG 3.45Å; Y88-L93 HydrophobicContact CD2-CD2 4.16Å; Y88-L93 HydrophobicContact CE2-CD2 3.67Å; Y88-R94 HydrophobicContact CD1-CB 4.44Å; Y88-R94 HydrophobicContact CD1-CG 4.48Å; Y88-R94 HydrophobicContact CD2-CB 4.27Å; Y88-R94 HydrophobicContact CE1-CB 4.05Å; Y88-R94 HydrophobicContact CE1-CG 3.86Å; Y88-R94 HydrophobicContact CE2-CB 3.85Å; Y88-R94 HydrophobicContact CE2-CG 4.47Å; Y88-R94 WeakPolarHBondContact O-CB 3.05Å; Y88-R94 WeakPolarHBondContact O-CD 3.06Å; Y88-E97 PolarHBondContact OH-OE2 2.78Å |
| 89 | T | 85.1 | Confident | 79.7 | Confident | 40 Ų | 40 | 82.1 Ų | 82.1 | 25% | 0.245 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -60.4 | -19.9 | 176.7 | -36.2 | 0 | 0 | 0 | 0 | 114 | K87 R94 Y180 | K87-T89 PolarHBondContact O-N 3.5Å; T89-R94 PolarHBondContact O-NH1 3.36Å; T89-Y180 PolarHBondContact O-OH 3.05Å |
| 90 | K | 83.5 | Confident | 81.2 | Confident | 152 Ų | 152 | 82 Ų | 82 | 66% | 0.661 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -118.6 | 5 | 178.7 | -64.9 | -163.2 | 172.6 | -158.9 | 0 | 112.7 | K87 Y88 | K87-K90 CarbonylContact O-C 3.55Å; K87-K90 PolarHBondContact O-N 3.09Å; Y88-K90 PolarHBondContact O-N 3.43Å |
| 91 | S | 87.3 | Confident | 83.1 | Confident | 10 Ų | 10 | 76.4 Ų | 76.4 | 7% | 0.07 | 39% | 0.388 | C | S | . | . | trans | -80 | 147.7 | 179.6 | 64.7 | 0 | 0 | 0 | 0 | 110.4 | I72 K87 Y88 L93 R94 Y180 | I72-S91 WeakPolarHBondContact CD1-OG 3.28Å; K87-S91 PolarHBondContact O-N 3.41Å; K87-S91 VanDerWaalsContact O-N 3.1Å; Y88-S91 PolarHBondContact O-N 3.38Å; Y88-S91 VanDerWaalsContact O-N 3.13Å; Y88-S91 PolarHBondContact O-OG 3.45Å; S91-L93 PolarHBondContact O-N 2.93Å; S91-R94 PolarHBondContact O-N 3.07Å; S91-R94 PolarHBondContact OG-N 3.34Å; S91-Y180 PolarHBondContact O-OH 3.22Å | ||
| 92 | D | 88.4 | Confident | 84.7 | Confident | 74 Ų | 74 | 65.6 Ų | 65.6 | 40% | 0.396 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.1 | -25.7 | 171.3 | -63.2 | -25.6 | 0 | 0 | 0 | 111.3 | R94 L95 I96 R181 | D92-R94 VanDerWaalsContact C-N 3.32Å; D92-R94 PolarHBondContact O-N 3.28Å; D92-L95 WeakPolarHBondContact O-CB 2.94Å; D92-L95 PolarHBondContact O-N 3.46Å; D92-L95 VanDerWaalsContact O-N 3.09Å; D92-I96 WeakPolarHBondContact O-CG1 3.41Å; D92-I96 PolarHBondContact O-N 2.93Å; D92-R181 IonicContact OD1-CZ 3.55Å; D92-R181 IonicContact OD1-NE 3.78Å; D92-R181 PolarHBondContact OD1-NE 2.95Å; D92-R181 IonicContact OD1-NH2 2.78Å; D92-R181 PolarHBondContact OD1-NH2 2.62Å; D92-R181 IonicContact OD2-CZ 3.72Å; D92-R181 IonicContact OD2-NH2 3.26Å; D92-R181 PolarHBondContact OD2-NH2 3.44Å |
| 93 | L | 89.7 | Confident | 86.4 | Confident | 82 Ų | 82 | 55.9 Ų | 55.9 | 43% | 0.429 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -56.5 | -45 | 173.9 | -176.6 | 152.1 | 0 | 0 | 0 | 111.8 | I72 Y88 S91 L95 I96 E97 | I72-L93 HydrophobicContact CD1-CB 4.32Å; I72-L93 HydrophobicContact CD1-CD1 4.37Å; I72-L93 HydrophobicContact CD1-CD2 4.49Å; Y88-L93 HydrophobicContact CD2-CD2 4.16Å; Y88-L93 HydrophobicContact CE2-CD2 3.67Å; S91-L93 PolarHBondContact O-N 2.93Å; L93-L95 VanDerWaalsContact C-N 3.3Å; L93-L95 PolarHBondContact O-N 2.89Å; L93-I96 PolarHBondContact O-N 3.2Å; L93-E97 HydrophobicContact CD2-CG 4.34Å; L93-E97 WeakPolarHBondContact CD2-OE1 3.04Å; L93-E97 WeakPolarHBondContact O-CG 3.12Å; L93-E97 PolarHBondContact O-N 2.76Å; L93-E97 VanDerWaalsContact O-N 3.13Å |
| 94 | R | 91.7 | Very high | 88 | Confident | 10 Ų | 10 | 60.3 Ų | 60.3 | 4% | 0.038 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65 | -35.5 | 176.7 | 173.4 | 177.5 | 168.6 | -127.6 | 2.6 | 112 | F62 T65 Y88 T89 S91 D92 V98 Y180 | F62-R94 VanDerWaalsContact C-NH2 3.34Å; F62-R94 PolarHBondContact O-NH2 3.48Å; T65-R94 PolarHBondContact OG1-NE 3.03Å; T65-R94 PolarHBondContact OG1-NH2 3.07Å; Y88-R94 HydrophobicContact CD1-CB 4.44Å; Y88-R94 HydrophobicContact CD1-CG 4.48Å; Y88-R94 HydrophobicContact CD2-CB 4.27Å; Y88-R94 HydrophobicContact CE1-CB 4.05Å; Y88-R94 HydrophobicContact CE1-CG 3.86Å; Y88-R94 HydrophobicContact CE2-CB 3.85Å; Y88-R94 HydrophobicContact CE2-CG 4.47Å; Y88-R94 WeakPolarHBondContact O-CB 3.05Å; Y88-R94 WeakPolarHBondContact O-CD 3.06Å; T89-R94 PolarHBondContact O-NH1 3.36Å; S91-R94 PolarHBondContact O-N 3.07Å; S91-R94 PolarHBondContact OG-N 3.34Å; D92-R94 VanDerWaalsContact C-N 3.32Å; D92-R94 PolarHBondContact O-N 3.28Å; R94-V98 HydrophobicContact CG-CG2 4.47Å; R94-V98 WeakPolarHBondContact O-CB 3.5Å; R94-V98 VanDerWaalsContact O-CG2 3.28Å; R94-V98 WeakPolarHBondContact O-CG2 3.36Å; R94-V98 PolarHBondContact O-N 2.58Å; R94-V98 VanDerWaalsContact O-N 3.16Å; R94-Y180 WeakPolarHBondContact CD-OH 3.45Å; R94-Y180 PolarHBondContact NH1-OH 2.8Å |
| 95 | L | 92.9 | Very high | 89.3 | Confident | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.1 | -50.9 | 178.6 | -177.8 | 59.3 | 0 | 0 | 0 | 110.3 | F62 D92 L93 E97 V98 T99 I176 E177 Y180 | F62-L95 HydrophobicContact CE1-CD1 4.02Å; F62-L95 HydrophobicContact CZ-CD1 3.53Å; D92-L95 WeakPolarHBondContact O-CB 2.94Å; D92-L95 PolarHBondContact O-N 3.46Å; D92-L95 VanDerWaalsContact O-N 3.09Å; L93-L95 VanDerWaalsContact C-N 3.3Å; L93-L95 PolarHBondContact O-N 2.89Å; L95-E97 PolarHBondContact O-N 3.07Å; L95-V98 PolarHBondContact O-N 2.7Å; L95-T99 HydrophobicContact CD1-CG2 3.95Å; L95-T99 HydrophobicContact CG-CG2 4.39Å; L95-T99 WeakPolarHBondContact O-CG2 3.37Å; L95-T99 PolarHBondContact O-N 3.4Å; L95-T99 PolarHBondContact O-OG1 3.5Å; L95-I176 HydrophobicContact CD1-CG2 4.15Å; L95-E177 HydrophobicContact CD2-CB 4.29Å; L95-E177 HydrophobicContact CD2-CG 3.67Å; L95-Y180 HydrophobicContact CB-CD1 4.09Å; L95-Y180 HydrophobicContact CB-CE1 4Å; L95-Y180 HydrophobicContact CD1-CD1 4.12Å; L95-Y180 HydrophobicContact CD1-CD2 4.14Å; L95-Y180 HydrophobicContact CD1-CG 3.81Å; L95-Y180 HydrophobicContact CD2-CD1 3.98Å; L95-Y180 HydrophobicContact CD2-CG 4.34Å; L95-Y180 HydrophobicContact CG-CD1 4.31Å; L95-Y180 HydrophobicContact CG-CG 4.48Å |
| 96 | I | 93.1 | Very high | 90.2 | Very high | 87 Ų | 87 | 56.7 Ų | 56.7 | 45% | 0.446 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59 | -48.3 | 179.5 | -64 | 164.3 | 0 | 0 | 0 | 111.2 | D92 L93 V98 T99 E100 | D92-I96 WeakPolarHBondContact O-CG1 3.41Å; D92-I96 PolarHBondContact O-N 2.93Å; L93-I96 PolarHBondContact O-N 3.2Å; I96-V98 VanDerWaalsContact C-N 3.25Å; I96-V98 PolarHBondContact O-N 3.17Å; I96-T99 PolarHBondContact O-N 2.8Å; I96-T99 PolarHBondContact O-OG1 3.49Å; I96-E100 HydrophobicContact CG2-CG 4.24Å; I96-E100 WeakPolarHBondContact CG2-OE1 3.45Å; I96-E100 WeakPolarHBondContact O-CB 3.32Å; I96-E100 WeakPolarHBondContact O-CG 3.36Å; I96-E100 PolarHBondContact O-N 2.86Å |
| 97 | E | 91.7 | Very high | 90.7 | Very high | 87 Ų | 87 | 57.1 Ų | 57.1 | 41% | 0.407 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.6 | -40.2 | 178.8 | -73.1 | 175.6 | 166.8 | 0 | 0 | 112.4 | Y88 L93 L95 T101 | Y88-E97 PolarHBondContact OH-OE2 2.78Å; L93-E97 HydrophobicContact CD2-CG 4.34Å; L93-E97 WeakPolarHBondContact CD2-OE1 3.04Å; L93-E97 WeakPolarHBondContact O-CG 3.12Å; L93-E97 PolarHBondContact O-N 2.76Å; L93-E97 VanDerWaalsContact O-N 3.13Å; L95-E97 PolarHBondContact O-N 3.07Å; E97-T101 WeakPolarHBondContact O-CB 3.44Å; E97-T101 WeakPolarHBondContact O-CG2 3.37Å; E97-T101 PolarHBondContact O-N 3.19Å; E97-T101 PolarHBondContact O-OG1 3.45Å |
| 98 | V | 94.1 | Very high | 90.9 | Very high | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -75.5 | -46.1 | -178.8 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | L58 A61 F62 T65 R94 L95 I96 E100 T101 I102 | L58-V98 HydrophobicContact CD1-CG1 3.52Å; A61-V98 HydrophobicContact CB-CG1 3.59Å; A61-V98 HydrophobicContact CB-CG2 4.49Å; F62-V98 HydrophobicContact CD1-CB 4.2Å; F62-V98 HydrophobicContact CD1-CG1 3.94Å; F62-V98 HydrophobicContact CD1-CG2 4.02Å; F62-V98 HydrophobicContact CE1-CB 3.72Å; F62-V98 HydrophobicContact CE1-CG1 3.63Å; F62-V98 HydrophobicContact CE1-CG2 3.98Å; F62-V98 HydrophobicContact CE2-CG1 4.39Å; F62-V98 HydrophobicContact CG-CG1 4.42Å; F62-V98 HydrophobicContact CZ-CB 4.29Å; F62-V98 HydrophobicContact CZ-CG1 3.87Å; T65-V98 HydrophobicContact CG2-CG2 3.93Å; R94-V98 HydrophobicContact CG-CG2 4.47Å; R94-V98 WeakPolarHBondContact O-CB 3.5Å; R94-V98 VanDerWaalsContact O-CG2 3.28Å; R94-V98 WeakPolarHBondContact O-CG2 3.36Å; R94-V98 PolarHBondContact O-N 2.58Å; R94-V98 VanDerWaalsContact O-N 3.16Å; L95-V98 PolarHBondContact O-N 2.7Å; I96-V98 VanDerWaalsContact C-N 3.25Å; I96-V98 PolarHBondContact O-N 3.17Å; V98-E100 PolarHBondContact O-N 2.81Å; V98-T101 PolarHBondContact O-N 2.75Å; V98-T101 PolarHBondContact O-OG1 3.04Å; V98-I102 WeakPolarHBondContact O-CB 3.44Å; V98-I102 PolarHBondContact O-N 3.45Å; V98-I102 VanDerWaalsContact O-N 3.16Å |
| 99 | T | 93.6 | Very high | 91.2 | Very high | 24 Ų | 24 | 55 Ų | 55 | 15% | 0.147 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.6 | -37.9 | -177.4 | 51.2 | 0 | 0 | 0 | 0 | 112.1 | L58 L95 I96 T101 I102 I176 | L58-T99 HydrophobicContact CD1-CG2 4.49Å; L95-T99 HydrophobicContact CD1-CG2 3.95Å; L95-T99 HydrophobicContact CG-CG2 4.39Å; L95-T99 WeakPolarHBondContact O-CG2 3.37Å; L95-T99 PolarHBondContact O-N 3.4Å; L95-T99 PolarHBondContact O-OG1 3.5Å; I96-T99 PolarHBondContact O-N 2.8Å; I96-T99 PolarHBondContact O-OG1 3.49Å; T99-T101 VanDerWaalsContact C-N 3.33Å; T99-T101 PolarHBondContact O-N 3.1Å; T99-I102 WeakPolarHBondContact O-CG2 3.34Å; T99-I176 HydrophobicContact CG2-CG2 4.03Å |
| 100 | E | 92.1 | Very high | 91.4 | Very high | 139 Ų | 139 | 55.3 Ų | 55.3 | 65% | 0.65 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -72.1 | -25.3 | 178 | -69.9 | -176.4 | 172.1 | 0 | 0 | 113.7 | I96 V98 | I96-E100 HydrophobicContact CG2-CG 4.24Å; I96-E100 WeakPolarHBondContact CG2-OE1 3.45Å; I96-E100 WeakPolarHBondContact O-CB 3.32Å; I96-E100 WeakPolarHBondContact O-CG 3.36Å; I96-E100 PolarHBondContact O-N 2.86Å; V98-E100 PolarHBondContact O-N 2.81Å |
| 101 | T | 93.6 | Very high | 91.7 | Very high | 63 Ų | 63 | 49.2 Ų | 49.2 | 39% | 0.387 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -92.4 | -14.7 | -178.5 | 57.5 | 0 | 0 | 0 | 0 | 113.2 | E97 V98 T99 C103 K104 R105 | E97-T101 WeakPolarHBondContact O-CB 3.44Å; E97-T101 WeakPolarHBondContact O-CG2 3.37Å; E97-T101 PolarHBondContact O-N 3.19Å; E97-T101 PolarHBondContact O-OG1 3.45Å; V98-T101 PolarHBondContact O-N 2.75Å; V98-T101 PolarHBondContact O-OG1 3.04Å; T99-T101 VanDerWaalsContact C-N 3.33Å; T99-T101 PolarHBondContact O-N 3.1Å; T101-C103 PolarHBondContact O-N 3.24Å; T101-K104 WeakPolarHBondContact O-CB 3.37Å; T101-K104 PolarHBondContact O-N 3.35Å; T101-R105 PolarHBondContact O-N 2.92Å |
| 102 | I | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.7 | -43.3 | -167.9 | -154.1 | 58.1 | 0 | 0 | 0 | 113.7 | E57 L58 A61 V98 T99 K104 R105 L106 V169 | E57-I102 VanDerWaalsContact C-CD1 3.47Å; E57-I102 HydrophobicContact CB-CD1 3.57Å; E57-I102 HydrophobicContact CB-CG1 3.98Å; L58-I102 HydrophobicContact CB-CG1 4.23Å; L58-I102 HydrophobicContact CD1-CG1 4.41Å; A61-I102 HydrophobicContact CB-CD1 3.94Å; V98-I102 WeakPolarHBondContact O-CB 3.44Å; V98-I102 PolarHBondContact O-N 3.45Å; V98-I102 VanDerWaalsContact O-N 3.16Å; T99-I102 WeakPolarHBondContact O-CG2 3.34Å; I102-K104 PolarHBondContact O-N 3.01Å; I102-R105 WeakPolarHBondContact O-CB 3.42Å; I102-R105 PolarHBondContact O-N 3.37Å; I102-R105 VanDerWaalsContact O-N 3.1Å; I102-L106 PolarHBondContact O-N 3.44Å; I102-V169 HydrophobicContact CG2-CG2 3.92Å |
| 103 | C | 95.1 | Very high | 91.7 | Very high | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.034 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.7 | -18.8 | -178.7 | -58.5 | 0 | 0 | 0 | 0 | 112.5 | T101 C165 D166 | T101-C103 PolarHBondContact O-N 3.24Å; C103-C165 WeakPolarHBondContact CA-SG 3.18Å; C103-C165 HydrophobicContact CB-CB 3.79Å; C103-C165 WeakPolarHBondContact CB-SG 3.43Å; C103-C165 WeakPolarHBondContact SG-CB 3.07Å; C103-C165 PolarHBondContact SG-O 3.2Å; C103-C165 CovalentContact SG-SG 2.04Å; C103-C165 PolarHBondContact SG-SG 3.41Å; C103-D166 WeakPolarHBondContact CB-OD1 3.47Å; C103-D166 PolarHBondContact SG-N 3.37Å; C103-D166 VanDerWaalsContact SG-N 3.38Å; C103-D166 PolarHBondContact SG-OD1 2.94Å |
| 104 | K | 94 | Very high | 91.3 | Very high | 138 Ų | 138 | 51.4 Ų | 51.4 | 60% | 0.6 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -73.2 | -39.4 | 170.5 | -65.2 | 173.4 | -176.5 | 162.3 | 0 | 111 | T101 I102 L106 L107 | T101-K104 WeakPolarHBondContact O-CB 3.37Å; T101-K104 PolarHBondContact O-N 3.35Å; I102-K104 PolarHBondContact O-N 3.01Å; K104-L106 PolarHBondContact O-N 3.38Å; K104-L107 WeakPolarHBondContact O-CB 3.31Å; K104-L107 PolarHBondContact O-N 2.95Å |
| 105 | R | 92.8 | Very high | 91.1 | Very high | 49 Ų | 49 | 52.1 Ų | 52.1 | 19% | 0.185 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.9 | -22.6 | 176.7 | -66.4 | 170.7 | 58 | 137.1 | 5.6 | 113.1 | E57 E64 T101 I102 L107 D108 | E57-R105 IonicContact OE2-CZ 3.11Å; E57-R105 IonicContact OE2-NE 3.17Å; E57-R105 PolarHBondContact OE2-NE 2.85Å; E57-R105 IonicContact OE2-NH2 3.94Å; E57-R105 PolarHBondContact OE2-NH2 2.79Å; E64-R105 IonicContact OE1-CZ 3.99Å; E64-R105 IonicContact OE1-NH1 3.41Å; E64-R105 IonicContact OE1-NH2 2.93Å; E64-R105 PolarHBondContact OE1-NH2 3.37Å; E64-R105 IonicContact OE2-CZ 2.94Å; E64-R105 IonicContact OE2-NH1 3.41Å; E64-R105 PolarHBondContact OE2-NH1 2.65Å; E64-R105 IonicContact OE2-NH2 3.31Å; E64-R105 PolarHBondContact OE2-NH2 2.94Å; T101-R105 PolarHBondContact O-N 2.92Å; I102-R105 WeakPolarHBondContact O-CB 3.42Å; I102-R105 PolarHBondContact O-N 3.37Å; I102-R105 VanDerWaalsContact O-N 3.1Å; R105-L107 PolarHBondContact O-N 2.79Å; R105-D108 WeakPolarHBondContact O-CB 3.41Å; R105-D108 PolarHBondContact O-N 3.42Å |
| 106 | L | 91.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -69.3 | -19 | 174.3 | -70.3 | 175.8 | 0 | 0 | 0 | 113.5 | V54 E57 I102 K104 D108 Y109 L161 C165 | V54-L106 HydrophobicContact CG2-CD1 4.01Å; E57-L106 HydrophobicContact CG-CD2 4.04Å; I102-L106 PolarHBondContact O-N 3.44Å; K104-L106 PolarHBondContact O-N 3.38Å; L106-D108 PolarHBondContact O-N 3.17Å; L106-Y109 HydrophobicContact CD2-CD2 4.12Å; L106-Y109 HydrophobicContact CD2-CE2 3.96Å; L106-Y109 WeakPolarHBondContact O-CB 3.46Å; L106-Y109 PolarHBondContact O-N 3.15Å; L106-L161 HydrophobicContact CD1-CG 4.4Å; L106-L161 HydrophobicContact CD2-CD2 4.5Å; L106-C165 HydrophobicContact CD1-CB 3.37Å; L106-C165 WeakPolarHBondContact CD1-SG 3.4Å |
| 107 | L | 90.6 | Very high | 90.5 | Very high | 65 Ų | 65 | 54.5 Ų | 54.5 | 34% | 0.34 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -69.6 | -19.9 | 174.9 | -64.7 | 172.1 | 0 | 0 | 0 | 112.8 | K104 R105 Y109 T154 K162 | K104-L107 WeakPolarHBondContact O-CB 3.31Å; K104-L107 PolarHBondContact O-N 2.95Å; R105-L107 PolarHBondContact O-N 2.79Å; L107-Y109 PolarHBondContact O-N 2.98Å; L107-T154 HydrophobicContact CB-CG2 4.34Å; L107-T154 HydrophobicContact CD2-CG2 3.91Å; L107-K162 HydrophobicContact CD1-CD 3.81Å; L107-K162 HydrophobicContact CD2-CB 4.03Å; L107-K162 HydrophobicContact CD2-CD 3.73Å; L107-K162 HydrophobicContact CD2-CG 4.45Å; L107-K162 HydrophobicContact CG-CD 3.77Å |
| 108 | D | 89.8 | Confident | 90.2 | Very high | 104 Ų | 104 | 50.4 Ų | 50.4 | 56% | 0.556 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -72.6 | -8.5 | 175.2 | -61.9 | -29 | 0 | 0 | 0 | 112.6 | R105 L106 | R105-D108 WeakPolarHBondContact O-CB 3.41Å; R105-D108 PolarHBondContact O-N 3.42Å; L106-D108 PolarHBondContact O-N 3.17Å |
| 109 | Y | 90.1 | Very high | 90 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 139 | 175.6 | -74.9 | -102.8 | 0 | 0 | 0 | 110.7 | Y53 E57 L106 L107 F121 K123 V158 | Y53-Y109 HydrophobicContact CD1-CD1 4.11Å; Y53-Y109 AromaticContact CD1-CE1 3.41Å; Y53-Y109 HydrophobicContact CD1-CE1 3.41Å; Y53-Y109 VanDerWaalsContact CD1-CE1 3.41Å; Y53-Y109 AromaticContact CD1-CZ 3.78Å; Y53-Y109 HydrophobicContact CE1-CD1 4.17Å; Y53-Y109 AromaticContact CE1-CE1 3.55Å; Y53-Y109 HydrophobicContact CE1-CE1 3.55Å; Y53-Y109 HydrophobicContact CG-CE1 4.42Å; E57-Y109 HydrophobicContact CG-CE2 3.85Å; E57-Y109 PolarHBondContact OE1-OH 3.47Å; L106-Y109 HydrophobicContact CD2-CD2 4.12Å; L106-Y109 HydrophobicContact CD2-CE2 3.96Å; L106-Y109 WeakPolarHBondContact O-CB 3.46Å; L106-Y109 PolarHBondContact O-N 3.15Å; L107-Y109 PolarHBondContact O-N 2.98Å; Y109-F121 HydrophobicContact CD1-CB 4.01Å; Y109-K123 HydrophobicContact CD1-CG 4.34Å; Y109-K123 HydrophobicContact CD2-CG 4.23Å; Y109-K123 HydrophobicContact CE1-CG 4.23Å; Y109-K123 HydrophobicContact CE2-CD 4.42Å; Y109-K123 HydrophobicContact CE2-CG 4.14Å; Y109-K123 HydrophobicContact CG-CG 4.36Å; Y109-V158 WeakPolarHBondContact O-CG1 3.47Å; Y109-V158 WeakPolarHBondContact O-CG2 3.3Å |
| 110 | S | 88.8 | Confident | 89.8 | Confident | 45 Ų | 45 | 50.8 Ų | 50.8 | 32% | 0.315 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 157.1 | 172.5 | -65.4 | 0 | 0 | 0 | 0 | 110.6 | H112 F121 A122 G124 | S110-H112 PolarHBondContact O-CD2 3.28Å; S110-F121 WeakPolarHBondContact O-CA 3.22Å; S110-A122 PolarHBondContact N-O 3.5Å; S110-A122 PolarHBondContact O-N 3.49Å; S110-A122 VanDerWaalsContact O-N 3.1Å; S110-G124 WeakPolarHBondContact CB-O 3.21Å; S110-G124 PolarHBondContact OG-O 3.4Å |
| 111 | L | 88.9 | Confident | 89.8 | Confident | 24 Ų | 24 | 44.3 Ų | 44.3 | 13% | 0.126 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 120.3 | 176.2 | -169.4 | 78 | 0 | 0 | 0 | 110.6 | K113 R120 F121 S126 E157 | L111-K113 HydrophobicContact CD2-CG 3.94Å; L111-K113 HydrophobicContact CG-CG 4.36Å; L111-R120 CarbonylContact C-O 3.56Å; L111-R120 HydrophobicContact CD1-CB 4.47Å; L111-R120 HydrophobicContact CD1-CG 4.02Å; L111-F121 HydrophobicContact CD1-CD1 4.24Å; L111-F121 HydrophobicContact CD1-CE1 3.86Å; L111-F121 HydrophobicContact CD1-CZ 4.22Å; L111-S126 WeakPolarHBondContact O-CB 3.43Å; L111-E157 HydrophobicContact CD1-CB 4.26Å; L111-E157 HydrophobicContact CD2-CG 4.2Å |
| 112 | H | 89.6 | Confident | 89.6 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 2% | 0.023 | 22% | 0.218 | C | C | . | . | trans | -100.5 | 90.2 | 174.2 | -69.1 | -101.4 | 0 | 0 | 0 | 109.3 | S110 E114 R115 R120 M125 | S110-H112 PolarHBondContact O-CD2 3.28Å; H112-E114 VanDerWaalsContact CA-OE2 3.26Å; H112-E114 WeakPolarHBondContact CA-OE2 3.31Å; H112-E114 WeakPolarHBondContact CB-OE1 3.35Å; H112-E114 IonicContact CE1-OE1 3.98Å; H112-E114 IonicContact CG-OE1 3.44Å; H112-E114 IonicContact ND1-OE1 2.81Å; H112-E114 PolarHBondContact ND1-OE1 2.95Å; H112-E114 PolarHBondContact O-N 3.36Å; H112-R115 HydrophobicContact CB-CB 4.08Å; H112-R115 HydrophobicContact CB-CG 3.86Å; H112-R115 PolarHBondContact O-N 3.45Å; H112-R115 VanDerWaalsContact O-N 3.08Å; H112-R120 WeakPolarHBondContact CB-O 3.28Å; H112-R120 PolarHBondContact N-O 3.4Å; H112-M125 PolarHBondContact CE1-O 3.05Å | ||
| 113 | K | 86.4 | Confident | 89.3 | Confident | 148 Ų | 148 | 46.2 Ų | 46.2 | 64% | 0.643 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -23.2 | -178.7 | -66.4 | -173.6 | 178.4 | -173.1 | 0 | 112.6 | L111 R115 | L111-K113 HydrophobicContact CD2-CG 3.94Å; L111-K113 HydrophobicContact CG-CG 4.36Å; K113-R115 VanDerWaalsContact C-N 3.31Å |
| 114 | E | 82.7 | Confident | 88.9 | Confident | 59 Ų | 59 | 48 Ų | 48 | 28% | 0.276 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -20.9 | 176 | 72.9 | -76.9 | -175.1 | 0 | 0 | 113.6 | H112 E127 | H112-E114 VanDerWaalsContact CA-OE2 3.26Å; H112-E114 WeakPolarHBondContact CA-OE2 3.31Å; H112-E114 WeakPolarHBondContact CB-OE1 3.35Å; H112-E114 IonicContact CE1-OE1 3.98Å; H112-E114 IonicContact CG-OE1 3.44Å; H112-E114 IonicContact ND1-OE1 2.81Å; H112-E114 PolarHBondContact ND1-OE1 2.95Å; H112-E114 PolarHBondContact O-N 3.36Å; E114-E127 HydrophobicContact CG-CB 4.14Å; E114-E127 HydrophobicContact CG-CG 4.2Å; E114-E127 WeakPolarHBondContact OE1-CG 3.48Å; E114-E127 PolarHBondContact OE1-N 2.86Å |
| 115 | R | 87.6 | Confident | 88.3 | Confident | 25 Ų | 25 | 45.7 Ų | 45.7 | 9% | 0.094 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -95 | 138 | -177.9 | -63.3 | -176.5 | -176.6 | 172.2 | -0.8 | 110.8 | H112 K113 N119 A122 W210 D216 | H112-R115 HydrophobicContact CB-CB 4.08Å; H112-R115 HydrophobicContact CB-CG 3.86Å; H112-R115 PolarHBondContact O-N 3.45Å; H112-R115 VanDerWaalsContact O-N 3.08Å; K113-R115 VanDerWaalsContact C-N 3.31Å; R115-N119 VanDerWaalsContact CD-O 3.27Å; R115-N119 WeakPolarHBondContact CD-O 3.4Å; R115-A122 VanDerWaalsContact NH1-CB 3.27Å; R115-W210 HydrophobicContact CB-CZ3 4.42Å; R115-W210 HydrophobicContact CG-CH2 3.77Å; R115-W210 HydrophobicContact CG-CZ2 4.36Å; R115-W210 HydrophobicContact CG-CZ3 3.85Å; R115-W210 VanDerWaalsContact NE-CZ2 3.3Å; R115-D216 IonicContact NH2-OD2 2.76Å; R115-D216 PolarHBondContact NH2-OD2 3.19Å; R115-D216 VanDerWaalsContact NH2-OD2 3.11Å |
| 116 | T | 84.6 | Confident | 87.9 | Confident | 123 Ų | 123 | 44 Ų | 44 | 76% | 0.755 | 24% | 0.242 | S | C | * | . | trans | -93.1 | 151 | -179.8 | 56.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 117 | G | 86.9 | Confident | 87.6 | Confident | 22 Ų | 22 | 47.5 Ų | 47.5 | 23% | 0.227 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | 73.2 | -146.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N119 | G117-N119 VanDerWaalsContact C-N 3.3Å; G117-N119 PolarHBondContact O-N 2.95Å |
| 118 | S | 86.6 | Confident | 87.2 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -72 | -22.8 | -177.1 | 65.2 | 0 | 0 | 0 | 0 | 113.4 | K52 Y53 R120 C205 E208 | K52-S118 PolarHBondContact NZ-OG 3.4Å; Y53-S118 VanDerWaalsContact CE2-O 3.28Å; Y53-S118 WeakPolarHBondContact CE2-O 3.33Å; Y53-S118 PolarHBondContact OH-O 2.83Å; S118-R120 PolarHBondContact O-N 2.94Å; S118-C205 PolarHBondContact OG-O 2.75Å; S118-E208 VanDerWaalsContact CB-OE2 3.31Å; S118-E208 WeakPolarHBondContact CB-OE2 3.43Å; S118-E208 PolarHBondContact N-OE2 3.15Å; S118-E208 PolarHBondContact OG-OE2 3Å |
| 119 | N | 88.9 | Confident | 86.8 | Confident | 24 Ų | 24 | 44.8 Ų | 44.8 | 13% | 0.128 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -71.8 | 4.8 | 179.8 | -61.8 | -48.7 | 0 | 0 | 0 | 113.9 | R115 G117 F121 W210 | R115-N119 VanDerWaalsContact CD-O 3.27Å; R115-N119 WeakPolarHBondContact CD-O 3.4Å; G117-N119 VanDerWaalsContact C-N 3.3Å; G117-N119 PolarHBondContact O-N 2.95Å; N119-F121 PolarHBondContact O-N 3.46Å; N119-W210 HydrophobicContact CB-CB 4.4Å; N119-W210 HydrophobicContact CB-CE3 4.15Å |
| 120 | R | 90.5 | Very high | 86.6 | Confident | 12 Ų | 12 | 49.1 Ų | 49.1 | 5% | 0.045 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -68.5 | -15.9 | 174.9 | 76.9 | -178 | -161 | -126.8 | 12.3 | 113.8 | R43 L44 E49 L111 H112 S118 | R43-R120 VanDerWaalsContact NE-NH1 3.13Å; R43-R120 PolarHBondContact O-NH2 2.57Å; L44-R120 VanDerWaalsContact C-NH2 3.32Å; L44-R120 PolarHBondContact O-NH2 3.02Å; E49-R120 IonicContact OE1-CZ 3.48Å; E49-R120 IonicContact OE1-NE 2.89Å; E49-R120 IonicContact OE1-NH1 2.89Å; E49-R120 PolarHBondContact OE1-NH1 2.84Å; E49-R120 IonicContact OE2-CZ 3.99Å; E49-R120 IonicContact OE2-NH1 2.64Å; E49-R120 PolarHBondContact OE2-NH1 2.99Å; E49-R120 IonicContact OE2-NH2 2.91Å; E49-R120 PolarHBondContact OE2-NH2 3.31Å; L111-R120 CarbonylContact C-O 3.56Å; L111-R120 HydrophobicContact CD1-CB 4.47Å; L111-R120 HydrophobicContact CD1-CG 4.02Å; H112-R120 WeakPolarHBondContact CB-O 3.28Å; H112-R120 PolarHBondContact N-O 3.4Å; S118-R120 PolarHBondContact O-N 2.94Å |
| 121 | F | 91.5 | Very high | 86.4 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.009 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 121 | 171.9 | -57.9 | -83.4 | 0 | 0 | 0 | 108.9 | P45 E49 Y53 Y109 S110 L111 N119 E157 V158 L161 | P45-F121 HydrophobicContact CB-CE2 4.16Å; P45-F121 HydrophobicContact CB-CZ 3.9Å; E49-F121 HydrophobicContact CB-CE2 4.45Å; Y53-F121 HydrophobicContact CD2-CB 4.16Å; Y53-F121 HydrophobicContact CD2-CD2 4.14Å; Y53-F121 HydrophobicContact CD2-CG 4.43Å; Y53-F121 HydrophobicContact CE1-CB 4.18Å; Y53-F121 WeakPolarHBondContact CE1-O 3.41Å; Y53-F121 HydrophobicContact CE2-CB 3.64Å; Y53-F121 AromaticContact CE2-CD2 3.67Å; Y53-F121 HydrophobicContact CE2-CD2 3.67Å; Y53-F121 HydrophobicContact CE2-CG 4.06Å; Y53-F121 PolarHBondContact OH-O 2.92Å; Y109-F121 HydrophobicContact CD1-CB 4.01Å; S110-F121 WeakPolarHBondContact O-CA 3.22Å; L111-F121 HydrophobicContact CD1-CD1 4.24Å; L111-F121 HydrophobicContact CD1-CE1 3.86Å; L111-F121 HydrophobicContact CD1-CZ 4.22Å; N119-F121 PolarHBondContact O-N 3.46Å; F121-E157 HydrophobicContact CE1-CB 4.24Å; F121-E157 HydrophobicContact CZ-CB 4.46Å; F121-V158 HydrophobicContact CD1-CG2 4.12Å; F121-V158 HydrophobicContact CE1-CG2 4.16Å; F121-L161 HydrophobicContact CD1-CD2 3.9Å; F121-L161 HydrophobicContact CE1-CD2 4.15Å; F121-L161 HydrophobicContact CG-CD2 4.2Å |
| 122 | A | 90.1 | Very high | 86.2 | Confident | 18 Ų | 18 | 51.4 Ų | 51.4 | 15% | 0.149 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 158 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S110 R115 | S110-A122 PolarHBondContact N-O 3.5Å; S110-A122 PolarHBondContact O-N 3.49Å; S110-A122 VanDerWaalsContact O-N 3.1Å; R115-A122 VanDerWaalsContact NH1-CB 3.27Å |
| 123 | K | 88.8 | Confident | 85.8 | Confident | 86 Ų | 86 | 52.1 Ų | 52.1 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 134.8 | 177 | -62.1 | -174.3 | -177 | -177.9 | 0 | 109.7 | E57 Y109 | E57-K123 VanDerWaalsContact CD-NZ 3.29Å; E57-K123 WeakPolarHBondContact OE1-CE 3.38Å; E57-K123 IonicContact OE1-NZ 3.06Å; E57-K123 PolarHBondContact OE1-NZ 2.94Å; E57-K123 IonicContact OE2-NZ 2.95Å; E57-K123 PolarHBondContact OE2-NZ 2.92Å; Y109-K123 HydrophobicContact CD1-CG 4.34Å; Y109-K123 HydrophobicContact CD2-CG 4.23Å; Y109-K123 HydrophobicContact CE1-CG 4.23Å; Y109-K123 HydrophobicContact CE2-CD 4.42Å; Y109-K123 HydrophobicContact CE2-CG 4.14Å; Y109-K123 HydrophobicContact CG-CG 4.36Å |
| 124 | G | 85.6 | Confident | 85.8 | Confident | 42 Ų | 42 | 48.8 Ų | 48.8 | 43% | 0.433 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 104.3 | 175.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S110 | S110-G124 WeakPolarHBondContact CB-O 3.21Å; S110-G124 PolarHBondContact OG-O 3.4Å |
| 125 | M | 81.7 | Confident | 85.9 | Confident | 89 Ų | 89 | 49.3 Ų | 49.3 | 44% | 0.438 | 28% | 0.276 | S | S | . | . | trans | -70.6 | 145.6 | -179 | -71.4 | 179.8 | 177.9 | 0 | 0 | 111.6 | H112 F129 | H112-M125 PolarHBondContact CE1-O 3.05Å; M125-F129 HydrophobicContact CB-CD1 3.98Å; M125-F129 HydrophobicContact CE-CE1 4.03Å; M125-F129 HydrophobicContact CG-CD1 3.81Å; M125-F129 HydrophobicContact CG-CE1 3.94Å; M125-F129 HydrophobicContact SD-CD1 4Å; M125-F129 HydrophobicContact SD-CE1 3.94Å | ||
| 126 | S | 84.8 | Confident | 85.8 | Confident | 13 Ų | 13 | 50.3 Ų | 50.3 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | trans | -71.5 | 152.8 | 172.9 | 58.5 | 0 | 0 | 0 | 0 | 112 | L111 T128 F129 E130 | L111-S126 WeakPolarHBondContact O-CB 3.43Å; S126-T128 PolarHBondContact O-N 2.89Å; S126-T128 PolarHBondContact OG-OG1 3.33Å; S126-F129 PolarHBondContact O-N 3.5Å; S126-F129 WeakPolarHBondContact OG-CB 3.48Å; S126-E130 WeakPolarHBondContact O-CB 3.42Å; S126-E130 PolarHBondContact O-N 3.16Å | ||
| 127 | E | 85.3 | Confident | 85.6 | Confident | 75 Ų | 75 | 52.1 Ų | 52.1 | 35% | 0.35 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.7 | -37.2 | -176.1 | -66.7 | 175.1 | -161.1 | 0 | 0 | 111.6 | E114 T131 | E114-E127 HydrophobicContact CG-CB 4.14Å; E114-E127 HydrophobicContact CG-CG 4.2Å; E114-E127 WeakPolarHBondContact OE1-CG 3.48Å; E114-E127 PolarHBondContact OE1-N 2.86Å; E127-T131 WeakPolarHBondContact O-CB 3.44Å; E127-T131 PolarHBondContact O-N 3Å; E127-T131 VanDerWaalsContact O-N 3.09Å; E127-T131 PolarHBondContact O-OG1 3.13Å |
| 128 | T | 81.6 | Confident | 85.5 | Confident | 79 Ų | 79 | 59.1 Ų | 59.1 | 49% | 0.485 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.6 | -41 | 176.2 | 52.9 | 0 | 0 | 0 | 0 | 111.8 | S126 T131 L132 | S126-T128 PolarHBondContact O-N 2.89Å; S126-T128 PolarHBondContact OG-OG1 3.33Å; T128-T131 PolarHBondContact O-N 3.37Å; T128-L132 WeakPolarHBondContact O-CB 3.45Å; T128-L132 PolarHBondContact O-N 3.2Å |
| 129 | F | 81.1 | Confident | 85.1 | Confident | 33 Ų | 33 | 62.2 Ų | 62.2 | 15% | 0.145 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -77.2 | -37 | -177.1 | -175.7 | -103.2 | 0 | 0 | 0 | 112.3 | M125 S126 T131 L132 H133 W151 | M125-F129 HydrophobicContact CB-CD1 3.98Å; M125-F129 HydrophobicContact CE-CE1 4.03Å; M125-F129 HydrophobicContact CG-CD1 3.81Å; M125-F129 HydrophobicContact CG-CE1 3.94Å; M125-F129 HydrophobicContact SD-CD1 4Å; M125-F129 HydrophobicContact SD-CE1 3.94Å; S126-F129 PolarHBondContact O-N 3.5Å; S126-F129 WeakPolarHBondContact OG-CB 3.48Å; F129-T131 VanDerWaalsContact C-N 3.31Å; F129-T131 PolarHBondContact O-N 3.44Å; F129-L132 WeakPolarHBondContact O-CB 3.1Å; F129-L132 PolarHBondContact O-N 2.85Å; F129-L132 VanDerWaalsContact O-N 3.16Å; F129-H133 AromaticContact CD1-CD2 3.51Å; F129-H133 AromaticContact CD1-NE2 3.87Å; F129-H133 AromaticContact CE1-CD2 3.18Å; F129-H133 WeakPolarHBondContact CE1-CD2 3.39Å; F129-H133 AromaticContact CE1-NE2 3.04Å; F129-H133 WeakPolarHBondContact CE1-NE2 3.37Å; F129-H133 AromaticContact CE2-CD2 3.89Å; F129-H133 AromaticContact CE2-NE2 3.68Å; F129-H133 AromaticContact CZ-CD2 3.41Å; F129-H133 VanDerWaalsContact CZ-CD2 3.41Å; F129-H133 WeakPolarHBondContact CZ-CD2 3.28Å; F129-H133 AromaticContact CZ-NE2 2.93Å; F129-H133 WeakPolarHBondContact CZ-NE2 3.49Å; F129-H133 PolarHBondContact O-CD2 2.93Å; F129-H133 PolarHBondContact O-N 2.95Å; F129-W151 HydrophobicContact CD2-CE3 4.44Å; F129-W151 HydrophobicContact CE2-CB 3.63Å; F129-W151 HydrophobicContact CE2-CD2 4.07Å; F129-W151 AromaticContact CE2-CE3 3.69Å; F129-W151 HydrophobicContact CE2-CE3 3.69Å; F129-W151 HydrophobicContact CE2-CG 4.08Å; F129-W151 WeakPolarHBondContact CE2-O 3.48Å; F129-W151 HydrophobicContact CZ-CB 3.52Å; F129-W151 HydrophobicContact CZ-CE3 4.14Å; F129-W151 HydrophobicContact CZ-CG 4.39Å; F129-W151 WeakPolarHBondContact CZ-O 3.2Å |
| 130 | E | 86.3 | Confident | 84.8 | Confident | 107 Ų | 107 | 64.6 Ų | 64.6 | 50% | 0.5 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 170.1 | -174.8 | 177.7 | -173.6 | 0 | 0 | 110.7 | S126 L132 H133 N134 | S126-E130 WeakPolarHBondContact O-CB 3.42Å; S126-E130 PolarHBondContact O-N 3.16Å; E130-L132 VanDerWaalsContact C-N 3.3Å; E130-L132 PolarHBondContact O-N 3.21Å; E130-H133 PolarHBondContact O-N 3.27Å; E130-N134 WeakPolarHBondContact O-CB 3.3Å; E130-N134 VanDerWaalsContact O-CG 3.28Å; E130-N134 PolarHBondContact O-N 3.16Å; E130-N134 PolarHBondContact O-ND2 3.47Å |
| 131 | T | 85.8 | Confident | 83.6 | Confident | 82 Ų | 82 | 73 Ų | 73 | 50% | 0.503 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 174.1 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | E127 T128 F129 N134 L135 | E127-T131 WeakPolarHBondContact O-CB 3.44Å; E127-T131 PolarHBondContact O-N 3Å; E127-T131 VanDerWaalsContact O-N 3.09Å; E127-T131 PolarHBondContact O-OG1 3.13Å; T128-T131 PolarHBondContact O-N 3.37Å; F129-T131 VanDerWaalsContact C-N 3.31Å; F129-T131 PolarHBondContact O-N 3.44Å; T131-N134 WeakPolarHBondContact O-CB 3.36Å; T131-N134 PolarHBondContact O-N 3Å; T131-L135 HydrophobicContact CG2-CD1 4.02Å; T131-L135 WeakPolarHBondContact O-CD1 3.28Å; T131-L135 WeakPolarHBondContact O-CG 3.4Å; T131-L135 PolarHBondContact O-N 3.48Å |
| 132 | L | 83.1 | Confident | 82.7 | Confident | 35 Ų | 35 | 75.2 Ų | 75.2 | 18% | 0.183 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.7 | -46.7 | 179.3 | -168.1 | 70.3 | 0 | 0 | 0 | 112.6 | T128 F129 E130 N134 L135 V136 V142 M144 W151 | T128-L132 WeakPolarHBondContact O-CB 3.45Å; T128-L132 PolarHBondContact O-N 3.2Å; F129-L132 WeakPolarHBondContact O-CB 3.1Å; F129-L132 PolarHBondContact O-N 2.85Å; F129-L132 VanDerWaalsContact O-N 3.16Å; E130-L132 VanDerWaalsContact C-N 3.3Å; E130-L132 PolarHBondContact O-N 3.21Å; L132-N134 VanDerWaalsContact C-N 3.28Å; L132-N134 PolarHBondContact O-N 3.47Å; L132-L135 WeakPolarHBondContact O-CB 3.38Å; L132-L135 PolarHBondContact O-N 3.48Å; L132-L135 VanDerWaalsContact O-N 3.12Å; L132-V136 PolarHBondContact O-N 3.12Å; L132-V142 HydrophobicContact CD1-CB 4.12Å; L132-V142 HydrophobicContact CD1-CG1 3.59Å; L132-V142 HydrophobicContact CD1-CG2 4.01Å; L132-M144 HydrophobicContact CD2-CE 3.5Å; L132-M144 HydrophobicContact CD2-CG 4.34Å; L132-M144 HydrophobicContact CD2-SD 3.44Å; L132-M144 WeakPolarHBondContact CD2-SD 3.41Å; L132-W151 HydrophobicContact CB-CZ3 4.46Å; L132-W151 HydrophobicContact CD2-CE3 4.24Å; L132-W151 HydrophobicContact CD2-CH2 3.58Å; L132-W151 HydrophobicContact CD2-CZ2 4.39Å; L132-W151 HydrophobicContact CD2-CZ3 3.52Å; L132-W151 HydrophobicContact CG-CH2 3.82Å; L132-W151 HydrophobicContact CG-CZ3 3.71Å |
| 133 | H | 82.1 | Confident | 81.3 | Confident | 19 Ų | 19 | 79.9 Ų | 79.9 | 9% | 0.088 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -58 | -42.1 | 173.7 | -93.4 | -88 | 0 | 0 | 0 | 111.5 | F129 E130 L135 V136 H137 Y148 W151 | F129-H133 AromaticContact CD1-CD2 3.51Å; F129-H133 AromaticContact CD1-NE2 3.87Å; F129-H133 AromaticContact CE1-CD2 3.18Å; F129-H133 WeakPolarHBondContact CE1-CD2 3.39Å; F129-H133 AromaticContact CE1-NE2 3.04Å; F129-H133 WeakPolarHBondContact CE1-NE2 3.37Å; F129-H133 AromaticContact CE2-CD2 3.89Å; F129-H133 AromaticContact CE2-NE2 3.68Å; F129-H133 AromaticContact CZ-CD2 3.41Å; F129-H133 VanDerWaalsContact CZ-CD2 3.41Å; F129-H133 WeakPolarHBondContact CZ-CD2 3.28Å; F129-H133 AromaticContact CZ-NE2 2.93Å; F129-H133 WeakPolarHBondContact CZ-NE2 3.49Å; F129-H133 PolarHBondContact O-CD2 2.93Å; F129-H133 PolarHBondContact O-N 2.95Å; E130-H133 PolarHBondContact O-N 3.27Å; H133-L135 VanDerWaalsContact C-N 3.3Å; H133-L135 PolarHBondContact O-N 3.35Å; H133-V136 PolarHBondContact O-N 3.26Å; H133-H137 WeakPolarHBondContact O-CB 3.23Å; H133-H137 PolarHBondContact O-N 3.47Å; H133-Y148 AromaticContact CE1-CD2 4Å; H133-Y148 AromaticContact CE1-CE2 3.12Å; H133-Y148 WeakPolarHBondContact CE1-CE2 3.47Å; H133-Y148 AromaticContact CE1-CZ 3.27Å; H133-Y148 PolarHBondContact CE1-OH 3.44Å; H133-Y148 AromaticContact ND1-CE2 3.18Å; H133-Y148 WeakPolarHBondContact ND1-CE2 3.45Å; H133-Y148 AromaticContact ND1-CZ 3.36Å; H133-Y148 PolarHBondContact ND1-OH 2.86Å; H133-W151 AromaticContact CD2-CE3 3.85Å; H133-W151 AromaticContact CE1-CE3 3.94Å; H133-W151 AromaticContact NE2-CE3 3.49Å |
| 134 | N | 85.9 | Confident | 80.2 | Confident | 78 Ų | 78 | 79.2 Ų | 79.2 | 42% | 0.417 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.1 | -34.5 | 176.9 | -77.8 | -48.1 | 0 | 0 | 0 | 112.8 | E130 T131 L132 K138 | E130-N134 WeakPolarHBondContact O-CB 3.3Å; E130-N134 VanDerWaalsContact O-CG 3.28Å; E130-N134 PolarHBondContact O-N 3.16Å; E130-N134 PolarHBondContact O-ND2 3.47Å; T131-N134 WeakPolarHBondContact O-CB 3.36Å; T131-N134 PolarHBondContact O-N 3Å; L132-N134 VanDerWaalsContact C-N 3.28Å; L132-N134 PolarHBondContact O-N 3.47Å; N134-K138 WeakPolarHBondContact O-CB 3.49Å; N134-K138 WeakPolarHBondContact O-CD 3.43Å; N134-K138 WeakPolarHBondContact O-CG 3.46Å; N134-K138 PolarHBondContact O-N 3.09Å; N134-K138 VanDerWaalsContact O-N 3.15Å |
| 135 | L | 86.3 | Confident | 79.4 | Confident | 71 Ų | 71 | 85.2 Ų | 85.2 | 37% | 0.372 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69.4 | -48.2 | 175.1 | -77.3 | 147.7 | 0 | 0 | 0 | 111.4 | T131 L132 H133 H137 K138 G139 V140 V142 | T131-L135 HydrophobicContact CG2-CD1 4.02Å; T131-L135 WeakPolarHBondContact O-CD1 3.28Å; T131-L135 WeakPolarHBondContact O-CG 3.4Å; T131-L135 PolarHBondContact O-N 3.48Å; L132-L135 WeakPolarHBondContact O-CB 3.38Å; L132-L135 PolarHBondContact O-N 3.48Å; L132-L135 VanDerWaalsContact O-N 3.12Å; H133-L135 VanDerWaalsContact C-N 3.3Å; H133-L135 PolarHBondContact O-N 3.35Å; L135-H137 PolarHBondContact O-N 3.01Å; L135-K138 PolarHBondContact O-N 3.02Å; L135-K138 VanDerWaalsContact O-N 3.17Å; L135-G139 PolarHBondContact O-N 3.23Å; L135-V140 HydrophobicContact CB-CB 4.45Å; L135-V140 HydrophobicContact CD2-CG2 4.33Å; L135-V140 WeakPolarHBondContact O-CB 3.21Å; L135-V140 PolarHBondContact O-N 3.45Å; L135-V140 VanDerWaalsContact O-N 3.08Å; L135-V142 HydrophobicContact CB-CG2 4.23Å |
| 136 | V | 83.6 | Confident | 79 | Confident | 45 Ų | 45 | 85.3 Ų | 85.3 | 27% | 0.273 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 177.3 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | L132 H133 K138 G139 V142 Y148 W151 | L132-V136 PolarHBondContact O-N 3.12Å; H133-V136 PolarHBondContact O-N 3.26Å; V136-K138 PolarHBondContact O-N 3.48Å; V136-G139 PolarHBondContact O-N 3.39Å; V136-V142 HydrophobicContact CG2-CB 4.06Å; V136-V142 HydrophobicContact CG2-CG2 4.13Å; V136-Y148 HydrophobicContact CG1-CD2 4.38Å; V136-Y148 HydrophobicContact CG1-CE2 4.38Å; V136-W151 HydrophobicContact CG2-CH2 3.63Å; V136-W151 HydrophobicContact CG2-CZ3 4.08Å |
| 137 | H | 81.4 | Confident | 78.7 | Confident | 162 Ų | 162 | 88.6 Ų | 88.6 | 75% | 0.75 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.1 | -27 | 177.4 | -168.2 | -71.1 | 0 | 0 | 0 | 112.6 | H133 L135 G139 | H133-H137 WeakPolarHBondContact O-CB 3.23Å; H133-H137 PolarHBondContact O-N 3.47Å; L135-H137 PolarHBondContact O-N 3.01Å; H137-G139 PolarHBondContact O-N 3.05Å |
| 138 | K | 85.4 | Confident | 78 | Confident | 168 Ų | 168 | 90.9 Ų | 90.9 | 73% | 0.73 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 3.8 | 172.6 | -74 | 171.6 | -174.6 | 176.6 | 0 | 113.3 | N134 L135 V136 | N134-K138 WeakPolarHBondContact O-CB 3.49Å; N134-K138 WeakPolarHBondContact O-CD 3.43Å; N134-K138 WeakPolarHBondContact O-CG 3.46Å; N134-K138 PolarHBondContact O-N 3.09Å; N134-K138 VanDerWaalsContact O-N 3.15Å; L135-K138 PolarHBondContact O-N 3.02Å; L135-K138 VanDerWaalsContact O-N 3.17Å; V136-K138 PolarHBondContact O-N 3.48Å |
| 139 | G | 77.9 | Confident | 77.7 | Confident | 67 Ų | 67 | 95.8 Ų | 95.8 | 69% | 0.691 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | 10.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L135 V136 H137 K141 | L135-G139 PolarHBondContact O-N 3.23Å; V136-G139 PolarHBondContact O-N 3.39Å; H137-G139 PolarHBondContact O-N 3.05Å; G139-K141 PolarHBondContact O-N 3.46Å |
| 140 | V | 81.7 | Confident | 77.3 | Confident | 74 Ų | 74 | 97.9 Ų | 97.9 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | trans | -76.9 | 119.1 | 171.1 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | L135 V142 | L135-V140 HydrophobicContact CB-CB 4.45Å; L135-V140 HydrophobicContact CD2-CG2 4.33Å; L135-V140 WeakPolarHBondContact O-CB 3.21Å; L135-V140 PolarHBondContact O-N 3.45Å; L135-V140 VanDerWaalsContact O-N 3.08Å; V140-V142 VanDerWaalsContact C-N 3.33Å; V140-V142 HydrophobicContact CG1-CG2 4.26Å; V140-V142 PolarHBondContact O-N 2.69Å | ||
| 141 | K | 66 | Low | 76.4 | Confident | 187 Ų | 187 | 94.1 Ų | 94.1 | 81% | 0.813 | 49% | 0.494 | S | S | * | . | trans | -73.1 | 88 | 175.9 | -170.3 | 179.9 | -179.6 | -178 | 0 | 109.6 | G139 V143 | G139-K141 PolarHBondContact O-N 3.46Å; K141-V143 HydrophobicContact CG-CG2 4.37Å; K141-V143 PolarHBondContact O-N 2.88Å | ||
| 142 | V | 72 | Confident | 75.5 | Confident | 50 Ų | 50 | 95.5 Ų | 95.5 | 30% | 0.303 | 50% | 0.498 | S | S | . | . | trans | -80.3 | 108.8 | 166.9 | -175 | 0 | 0 | 0 | 0 | 107.4 | L132 L135 V136 V140 M144 | L132-V142 HydrophobicContact CD1-CB 4.12Å; L132-V142 HydrophobicContact CD1-CG1 3.59Å; L132-V142 HydrophobicContact CD1-CG2 4.01Å; L135-V142 HydrophobicContact CB-CG2 4.23Å; V136-V142 HydrophobicContact CG2-CB 4.06Å; V136-V142 HydrophobicContact CG2-CG2 4.13Å; V140-V142 VanDerWaalsContact C-N 3.33Å; V140-V142 HydrophobicContact CG1-CG2 4.26Å; V140-V142 PolarHBondContact O-N 2.69Å; V142-M144 HydrophobicContact CG1-CG 4.04Å; V142-M144 PolarHBondContact O-N 3.44Å | ||
| 143 | V | 61.3 | Low | 75.2 | Confident | 116 Ų | 116 | 100.1 Ų | 100.1 | 70% | 0.703 | 52% | 0.519 | S | S | * | . | trans | -75.4 | 107 | 172.6 | -176.2 | 0 | 0 | 0 | 0 | 106.7 | K141 | K141-V143 HydrophobicContact CG-CG2 4.37Å; K141-V143 PolarHBondContact O-N 2.88Å | ||
| 144 | M | 66.4 | Low | 75.1 | Confident | 71 Ų | 71 | 102.2 Ų | 102.2 | 35% | 0.35 | 53% | 0.533 | S | S | . | . | trans | -107.6 | 148.6 | 161.8 | -64.2 | -135.4 | -63.4 | 0 | 0 | 108 | L132 V142 I146 W151 | L132-M144 HydrophobicContact CD2-CE 3.5Å; L132-M144 HydrophobicContact CD2-CG 4.34Å; L132-M144 HydrophobicContact CD2-SD 3.44Å; L132-M144 WeakPolarHBondContact CD2-SD 3.41Å; V142-M144 HydrophobicContact CG1-CG 4.04Å; V142-M144 PolarHBondContact O-N 3.44Å; M144-I146 PolarHBondContact O-N 2.95Å; M144-W151 HydrophobicContact CB-CZ2 3.97Å; M144-W151 HydrophobicContact CE-CD2 3.55Å; M144-W151 HydrophobicContact CE-CE3 4.02Å; M144-W151 HydrophobicContact CE-CG 4.15Å; M144-W151 HydrophobicContact CE-CH2 3.65Å; M144-W151 HydrophobicContact CE-CZ2 3.16Å; M144-W151 HydrophobicContact CE-CZ3 4.07Å; M144-W151 HydrophobicContact CG-CH2 4.22Å; M144-W151 HydrophobicContact CG-CZ2 3.73Å; M144-W151 HydrophobicContact SD-CH2 4.46Å; M144-W151 HydrophobicContact SD-CZ2 4.17Å | ||
| 145 | D | 68.6 | Low | 75 | Confident | 168 Ų | 168 | 100.3 Ų | 100.3 | 90% | 0.898 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -70.9 | 6.6 | 175.8 | -61.5 | -45.4 | 0 | 0 | 0 | 113.1 | ||
| 146 | I | 72.3 | Confident | 75.1 | Confident | 91 Ų | 91 | 99.7 Ų | 99.7 | 47% | 0.467 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -125.1 | 126.9 | -177.8 | -55.2 | 178 | 0 | 0 | 0 | 108.2 | M144 L150 W151 | M144-I146 PolarHBondContact O-N 2.95Å; I146-L150 HydrophobicContact CG2-CB 3.58Å; I146-W151 PolarHBondContact O-NE1 2.67Å |
| 147 | P | 77.9 | Confident | 75.4 | Confident | 82 Ų | 82 | 98.3 Ų | 98.3 | 53% | 0.532 | 52% | 0.521 | S | S | . | . | trans | -62.1 | 149.2 | 173.4 | -21.1 | 31.5 | 0 | 0 | 0 | 112.7 | E149 L150 W151 | P147-E149 PolarHBondContact O-N 3.06Å; P147-L150 HydrophobicContact CB-CD1 4.2Å; P147-L150 HydrophobicContact CG-CD1 3.96Å; P147-L150 PolarHBondContact O-N 2.82Å; P147-W151 PolarHBondContact O-NE1 2.56Å | ||
| 148 | Y | 70.6 | Confident | 75.9 | Confident | 124 Ų | 124 | 90.6 Ų | 90.6 | 49% | 0.486 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -53.8 | -30.8 | -176.6 | -173 | -98.4 | 0 | 0 | 0 | 114.3 | H133 V136 L150 W151 | H133-Y148 AromaticContact CE1-CD2 4Å; H133-Y148 AromaticContact CE1-CE2 3.12Å; H133-Y148 WeakPolarHBondContact CE1-CE2 3.47Å; H133-Y148 AromaticContact CE1-CZ 3.27Å; H133-Y148 PolarHBondContact CE1-OH 3.44Å; H133-Y148 AromaticContact ND1-CE2 3.18Å; H133-Y148 WeakPolarHBondContact ND1-CE2 3.45Å; H133-Y148 AromaticContact ND1-CZ 3.36Å; H133-Y148 PolarHBondContact ND1-OH 2.86Å; V136-Y148 HydrophobicContact CG1-CD2 4.38Å; V136-Y148 HydrophobicContact CG1-CE2 4.38Å; Y148-L150 VanDerWaalsContact C-N 3.25Å; Y148-L150 PolarHBondContact O-N 2.78Å; Y148-W151 HydrophobicContact CD2-CD2 4.15Å; Y148-W151 HydrophobicContact CD2-CE3 4.01Å; Y148-W151 HydrophobicContact CD2-CZ3 4.27Å; Y148-W151 HydrophobicContact CE2-CE3 4.32Å; Y148-W151 WeakPolarHBondContact O-CB 3.47Å; Y148-W151 PolarHBondContact O-N 3.05Å |
| 149 | E | 75.6 | Confident | 76.2 | Confident | 181 Ų | 181 | 84.8 Ų | 84.8 | 85% | 0.846 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -66.1 | -27 | 179.1 | -64.5 | 174.6 | -175.4 | 0 | 0 | 113 | P147 | P147-E149 PolarHBondContact O-N 3.06Š|
| 150 | L | 73.8 | Confident | 77 | Confident | 78 Ų | 78 | 83 Ų | 83 | 41% | 0.408 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -95.8 | 2.2 | -178.7 | -71.6 | 135.4 | 0 | 0 | 0 | 112.8 | I146 P147 Y148 N152 E153 | I146-L150 HydrophobicContact CG2-CB 3.58Å; P147-L150 HydrophobicContact CB-CD1 4.2Å; P147-L150 HydrophobicContact CG-CD1 3.96Å; P147-L150 PolarHBondContact O-N 2.82Å; Y148-L150 VanDerWaalsContact C-N 3.25Å; Y148-L150 PolarHBondContact O-N 2.78Å; L150-N152 VanDerWaalsContact C-N 3.28Å; L150-N152 PolarHBondContact O-N 2.82Å; L150-E153 WeakPolarHBondContact CD2-OE2 3.34Å; L150-E153 VanDerWaalsContact O-CB 3.23Å; L150-E153 WeakPolarHBondContact O-CB 3.5Å; L150-E153 PolarHBondContact O-N 2.94Å; L150-E153 VanDerWaalsContact O-N 3.14Å |
| 151 | W | 66.7 | Low | 77.6 | Confident | 27 Ų | 27 | 79.5 Ų | 79.5 | 10% | 0.102 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -24 | -176.7 | -78.7 | 23.9 | 0 | 0 | 0 | 113.1 | F129 L132 H133 V136 M144 I146 P147 Y148 E153 | F129-W151 HydrophobicContact CD2-CE3 4.44Å; F129-W151 HydrophobicContact CE2-CB 3.63Å; F129-W151 HydrophobicContact CE2-CD2 4.07Å; F129-W151 AromaticContact CE2-CE3 3.69Å; F129-W151 HydrophobicContact CE2-CE3 3.69Å; F129-W151 HydrophobicContact CE2-CG 4.08Å; F129-W151 WeakPolarHBondContact CE2-O 3.48Å; F129-W151 HydrophobicContact CZ-CB 3.52Å; F129-W151 HydrophobicContact CZ-CE3 4.14Å; F129-W151 HydrophobicContact CZ-CG 4.39Å; F129-W151 WeakPolarHBondContact CZ-O 3.2Å; L132-W151 HydrophobicContact CB-CZ3 4.46Å; L132-W151 HydrophobicContact CD2-CE3 4.24Å; L132-W151 HydrophobicContact CD2-CH2 3.58Å; L132-W151 HydrophobicContact CD2-CZ2 4.39Å; L132-W151 HydrophobicContact CD2-CZ3 3.52Å; L132-W151 HydrophobicContact CG-CH2 3.82Å; L132-W151 HydrophobicContact CG-CZ3 3.71Å; H133-W151 AromaticContact CD2-CE3 3.85Å; H133-W151 AromaticContact CE1-CE3 3.94Å; H133-W151 AromaticContact NE2-CE3 3.49Å; V136-W151 HydrophobicContact CG2-CH2 3.63Å; V136-W151 HydrophobicContact CG2-CZ3 4.08Å; M144-W151 HydrophobicContact CB-CZ2 3.97Å; M144-W151 HydrophobicContact CE-CD2 3.55Å; M144-W151 HydrophobicContact CE-CE3 4.02Å; M144-W151 HydrophobicContact CE-CG 4.15Å; M144-W151 HydrophobicContact CE-CH2 3.65Å; M144-W151 HydrophobicContact CE-CZ2 3.16Å; M144-W151 HydrophobicContact CE-CZ3 4.07Å; M144-W151 HydrophobicContact CG-CH2 4.22Å; M144-W151 HydrophobicContact CG-CZ2 3.73Å; M144-W151 HydrophobicContact SD-CH2 4.46Å; M144-W151 HydrophobicContact SD-CZ2 4.17Å; I146-W151 PolarHBondContact O-NE1 2.67Å; P147-W151 PolarHBondContact O-NE1 2.56Å; Y148-W151 HydrophobicContact CD2-CD2 4.15Å; Y148-W151 HydrophobicContact CD2-CE3 4.01Å; Y148-W151 HydrophobicContact CD2-CZ3 4.27Å; Y148-W151 HydrophobicContact CE2-CE3 4.32Å; Y148-W151 WeakPolarHBondContact O-CB 3.47Å; Y148-W151 PolarHBondContact O-N 3.05Å; W151-E153 VanDerWaalsContact C-N 3.34Å |
| 152 | N | 67.8 | Low | 79 | Confident | 112 Ų | 112 | 72.8 Ų | 72.8 | 60% | 0.599 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 8.1 | 173.3 | -65.3 | -40.1 | 0 | 0 | 0 | 112.9 | L150 | L150-N152 VanDerWaalsContact C-N 3.28Å; L150-N152 PolarHBondContact O-N 2.82Å |
| 153 | E | 76.7 | Confident | 80.1 | Confident | 132 Ų | 132 | 77 Ų | 77 | 62% | 0.617 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -68.9 | 145.9 | 175.7 | -167.7 | 170.7 | -160.7 | 0 | 0 | 110.4 | L150 W151 S155 | L150-E153 WeakPolarHBondContact CD2-OE2 3.34Å; L150-E153 VanDerWaalsContact O-CB 3.23Å; L150-E153 WeakPolarHBondContact O-CB 3.5Å; L150-E153 PolarHBondContact O-N 2.94Å; L150-E153 VanDerWaalsContact O-N 3.14Å; W151-E153 VanDerWaalsContact C-N 3.34Å; E153-S155 PolarHBondContact O-N 3.48Å |
| 154 | T | 79.4 | Confident | 81.8 | Confident | 63 Ų | 63 | 73.9 Ų | 73.9 | 39% | 0.387 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -63 | 124.3 | -178.8 | 53.4 | 0 | 0 | 0 | 0 | 111 | L107 V158 | L107-T154 HydrophobicContact CB-CG2 4.34Å; L107-T154 HydrophobicContact CD2-CG2 3.91Å; T154-V158 HydrophobicContact CG2-CG1 4.4Å |
| 155 | S | 84.3 | Confident | 83.2 | Confident | 37 Ų | 37 | 70.5 Ų | 70.5 | 26% | 0.259 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 153.9 | 172.6 | 60.7 | 0 | 0 | 0 | 0 | 112.1 | E153 E157 V158 A159 | E153-S155 PolarHBondContact O-N 3.48Å; S155-E157 PolarHBondContact O-N 2.89Å; S155-E157 VanDerWaalsContact O-N 3.17Å; S155-V158 PolarHBondContact O-N 2.04Å; S155-V158 VanDerWaalsContact OG-CG2 3.24Å; S155-V158 WeakPolarHBondContact OG-CG2 3.28Å; S155-A159 PolarHBondContact O-N 3.47Å |
| 156 | A | 87.9 | Confident | 84.5 | Confident | 58 Ų | 58 | 65.3 Ų | 65.3 | 48% | 0.479 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -54.8 | -35.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V42 A159 D160 | V42-A156 HydrophobicContact CG1-CB 4.22Å; A156-A159 PolarHBondContact O-N 2.83Å; A156-D160 WeakPolarHBondContact O-CB 3.47Å; A156-D160 PolarHBondContact O-N 2.99Å |
| 157 | E | 90.5 | Very high | 85.7 | Confident | 16 Ų | 16 | 64 Ų | 64 | 8% | 0.075 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.9 | -36.7 | 176.9 | -62.9 | 87.6 | 160.7 | 0 | 0 | 112.8 | V42 R43 L111 F121 S155 L161 | V42-E157 HydrophobicContact CG1-CG 4.07Å; R43-E157 WeakPolarHBondContact O-CG 3.39Å; L111-E157 HydrophobicContact CD1-CB 4.26Å; L111-E157 HydrophobicContact CD2-CG 4.2Å; F121-E157 HydrophobicContact CE1-CB 4.24Å; F121-E157 HydrophobicContact CZ-CB 4.46Å; S155-E157 PolarHBondContact O-N 2.89Å; S155-E157 VanDerWaalsContact O-N 3.17Å; E157-L161 WeakPolarHBondContact O-CB 3.18Å; E157-L161 PolarHBondContact O-N 3.27Å |
| 158 | V | 91.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -77 | -37.3 | 177.4 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | Y109 F121 T154 S155 D160 L161 K162 | Y109-V158 WeakPolarHBondContact O-CG1 3.47Å; Y109-V158 WeakPolarHBondContact O-CG2 3.3Å; F121-V158 HydrophobicContact CD1-CG2 4.12Å; F121-V158 HydrophobicContact CE1-CG2 4.16Å; T154-V158 HydrophobicContact CG2-CG1 4.4Å; S155-V158 PolarHBondContact O-N 2.04Å; S155-V158 VanDerWaalsContact OG-CG2 3.24Å; S155-V158 WeakPolarHBondContact OG-CG2 3.28Å; V158-D160 VanDerWaalsContact C-N 3.3Å; V158-D160 PolarHBondContact O-N 3.1Å; V158-L161 WeakPolarHBondContact O-CB 3.4Å; V158-L161 PolarHBondContact O-N 3.4Å; V158-K162 PolarHBondContact O-N 3.33Å |
| 159 | A | 92.1 | Very high | 87.8 | Confident | 47 Ų | 47 | 55.7 Ų | 55.7 | 39% | 0.388 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S155 A156 K162 K163 | S155-A159 PolarHBondContact O-N 3.47Å; A156-A159 PolarHBondContact O-N 2.83Å; A159-K162 PolarHBondContact O-N 3.25Å; A159-K163 PolarHBondContact O-N 3.44Å |
| 160 | D | 94.2 | Very high | 88.7 | Confident | 30 Ų | 30 | 54 Ų | 54 | 16% | 0.16 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.9 | -36.4 | 174.5 | -167.2 | 67.8 | 0 | 0 | 0 | 112.3 | L44 P45 A156 V158 K162 K163 Q164 | L44-D160 HydrophobicContact CD2-CB 3.93Å; P45-D160 WeakPolarHBondContact CD-OD2 3.28Å; P45-D160 HydrophobicContact CG-CB 4.35Å; A156-D160 WeakPolarHBondContact O-CB 3.47Å; A156-D160 PolarHBondContact O-N 2.99Å; V158-D160 VanDerWaalsContact C-N 3.3Å; V158-D160 PolarHBondContact O-N 3.1Å; D160-K162 VanDerWaalsContact C-N 3.31Å; D160-K162 PolarHBondContact O-N 2.74Å; D160-K163 PolarHBondContact O-N 2.99Å; D160-Q164 WeakPolarHBondContact O-CB 3.4Å; D160-Q164 WeakPolarHBondContact O-CG 3.45Å; D160-Q164 PolarHBondContact O-N 3.03Å; D160-Q164 PolarHBondContact OD2-NE2 3.05Å |
| 161 | L | 94.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.2 | -44.9 | 172 | 177.5 | 63.3 | 0 | 0 | 0 | 111.3 | P45 V50 L106 F121 E157 V158 C165 | P45-L161 HydrophobicContact CB-CD1 4.34Å; P45-L161 HydrophobicContact CG-CB 4.09Å; V50-L161 HydrophobicContact CB-CD1 4.1Å; V50-L161 HydrophobicContact CG1-CD1 4.2Å; V50-L161 HydrophobicContact CG2-CD1 3.76Å; L106-L161 HydrophobicContact CD1-CG 4.4Å; L106-L161 HydrophobicContact CD2-CD2 4.5Å; F121-L161 HydrophobicContact CD1-CD2 3.9Å; F121-L161 HydrophobicContact CE1-CD2 4.15Å; F121-L161 HydrophobicContact CG-CD2 4.2Å; E157-L161 WeakPolarHBondContact O-CB 3.18Å; E157-L161 PolarHBondContact O-N 3.27Å; V158-L161 WeakPolarHBondContact O-CB 3.4Å; V158-L161 PolarHBondContact O-N 3.4Å; L161-C165 WeakPolarHBondContact O-CB 3.37Å; L161-C165 PolarHBondContact O-N 2.85Å |
| 162 | K | 94.9 | Very high | 91.2 | Very high | 45 Ų | 45 | 56.8 Ų | 56.8 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62 | -49.2 | 174.3 | 168.9 | 168.2 | 171.2 | 36.1 | 0 | 111.2 | L107 V158 A159 D160 Q164 C165 D166 | L107-K162 HydrophobicContact CD1-CD 3.81Å; L107-K162 HydrophobicContact CD2-CB 4.03Å; L107-K162 HydrophobicContact CD2-CD 3.73Å; L107-K162 HydrophobicContact CD2-CG 4.45Å; L107-K162 HydrophobicContact CG-CD 3.77Å; V158-K162 PolarHBondContact O-N 3.33Å; A159-K162 PolarHBondContact O-N 3.25Å; D160-K162 VanDerWaalsContact C-N 3.31Å; D160-K162 PolarHBondContact O-N 2.74Å; K162-Q164 VanDerWaalsContact C-N 3.3Å; K162-Q164 PolarHBondContact O-N 2.71Å; K162-C165 WeakPolarHBondContact O-CA 3.37Å; K162-C165 VanDerWaalsContact O-CB 3.27Å; K162-C165 WeakPolarHBondContact O-CB 3.5Å; K162-C165 PolarHBondContact O-N 3.37Å; K162-D166 VanDerWaalsContact NZ-CG 3.26Å; K162-D166 IonicContact NZ-OD1 2.71Å; K162-D166 PolarHBondContact NZ-OD1 3.49Å; K162-D166 IonicContact NZ-OD2 3.44Å; K162-D166 PolarHBondContact NZ-OD2 3.47Å; K162-D166 PolarHBondContact O-N 2.94Å |
| 163 | K | 95.5 | Very high | 92.5 | Very high | 140 Ų | 140 | 56.8 Ų | 56.8 | 61% | 0.609 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -58.5 | -44 | -179.1 | -178.4 | -176 | 175.9 | -175.6 | 0 | 111.7 | A159 D160 C165 D166 V167 | A159-K163 PolarHBondContact O-N 3.44Å; D160-K163 PolarHBondContact O-N 2.99Å; K163-C165 VanDerWaalsContact C-N 3.31Å; K163-D166 PolarHBondContact O-N 3.22Å; K163-V167 PolarHBondContact O-N 2.89Å |
| 164 | Q | 96.1 | Very high | 93.3 | Very high | 49 Ų | 49 | 58.4 Ų | 58.4 | 23% | 0.229 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.3 | -29.3 | 176.9 | -68.6 | -167.6 | 42.4 | 0 | 0 | 112.3 | P45 V50 D160 K162 L168 | P45-Q164 PolarHBondContact O-NE2 2.97Å; P45-Q164 VanDerWaalsContact O-NE2 3.11Å; V50-Q164 HydrophobicContact CB-CB 4.37Å; V50-Q164 HydrophobicContact CG1-CB 3.8Å; V50-Q164 HydrophobicContact CG2-CB 3.77Å; V50-Q164 HydrophobicContact CG2-CG 4.35Å; V50-Q164 VanDerWaalsContact CG2-OE1 3.26Å; D160-Q164 WeakPolarHBondContact O-CB 3.4Å; D160-Q164 WeakPolarHBondContact O-CG 3.45Å; D160-Q164 PolarHBondContact O-N 3.03Å; D160-Q164 PolarHBondContact OD2-NE2 3.05Å; K162-Q164 VanDerWaalsContact C-N 3.3Å; K162-Q164 PolarHBondContact O-N 2.71Å; Q164-L168 VanDerWaalsContact O-CB 3.23Å; Q164-L168 WeakPolarHBondContact O-CB 3.47Å; Q164-L168 PolarHBondContact O-N 3.11Å |
| 165 | C | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 170.4 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | V54 C103 L106 L161 K162 K163 V167 L168 V169 | V54-C165 HydrophobicContact CG2-CB 3.8Å; V54-C165 VanDerWaalsContact CG2-SG 3.58Å; C103-C165 WeakPolarHBondContact CA-SG 3.18Å; C103-C165 HydrophobicContact CB-CB 3.79Å; C103-C165 WeakPolarHBondContact CB-SG 3.43Å; C103-C165 WeakPolarHBondContact SG-CB 3.07Å; C103-C165 PolarHBondContact SG-O 3.2Å; C103-C165 CovalentContact SG-SG 2.04Å; C103-C165 PolarHBondContact SG-SG 3.41Å; L106-C165 HydrophobicContact CD1-CB 3.37Å; L106-C165 WeakPolarHBondContact CD1-SG 3.4Å; L161-C165 WeakPolarHBondContact O-CB 3.37Å; L161-C165 PolarHBondContact O-N 2.85Å; K162-C165 WeakPolarHBondContact O-CA 3.37Å; K162-C165 VanDerWaalsContact O-CB 3.27Å; K162-C165 WeakPolarHBondContact O-CB 3.5Å; K162-C165 PolarHBondContact O-N 3.37Å; K163-C165 VanDerWaalsContact C-N 3.31Å; C165-V167 VanDerWaalsContact C-N 3.28Å; C165-V167 PolarHBondContact O-N 3.02Å; C165-L168 PolarHBondContact O-N 2.99Å; C165-L168 VanDerWaalsContact O-N 3.09Å; C165-V169 WeakPolarHBondContact O-CG2 3.03Å; C165-V169 PolarHBondContact O-N 3.29Å |
| 166 | D | 96.3 | Very high | 94.6 | Very high | 60 Ų | 60 | 54.9 Ų | 54.9 | 32% | 0.321 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.4 | -47.7 | -179 | -63.7 | -43.4 | 0 | 0 | 0 | 109.4 | C103 K162 K163 L168 V169 E170 | C103-D166 WeakPolarHBondContact CB-OD1 3.47Å; C103-D166 PolarHBondContact SG-N 3.37Å; C103-D166 VanDerWaalsContact SG-N 3.38Å; C103-D166 PolarHBondContact SG-OD1 2.94Å; K162-D166 VanDerWaalsContact NZ-CG 3.26Å; K162-D166 IonicContact NZ-OD1 2.71Å; K162-D166 PolarHBondContact NZ-OD1 3.49Å; K162-D166 IonicContact NZ-OD2 3.44Å; K162-D166 PolarHBondContact NZ-OD2 3.47Å; K162-D166 PolarHBondContact O-N 2.94Å; K163-D166 PolarHBondContact O-N 3.22Å; D166-L168 PolarHBondContact O-N 3.38Å; D166-V169 PolarHBondContact O-N 3.06Å; D166-E170 VanDerWaalsContact O-CG 3.28Å; D166-E170 WeakPolarHBondContact O-CG 3.37Å; D166-E170 PolarHBondContact O-N 3.14Å; D166-E170 VanDerWaalsContact O-N 3.12Å |
| 167 | V | 96.4 | Very high | 94.9 | Very high | 62 Ų | 62 | 55 Ų | 55 | 38% | 0.376 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 175.6 | 176.6 | 0 | 0 | 0 | 0 | 112.6 | K163 C165 E170 E171 | K163-V167 PolarHBondContact O-N 2.89Å; C165-V167 VanDerWaalsContact C-N 3.28Å; C165-V167 PolarHBondContact O-N 3.02Å; V167-E170 PolarHBondContact O-N 2.87Å; V167-E171 HydrophobicContact CG1-CG 4.13Å; V167-E171 WeakPolarHBondContact CG1-OE1 3.27Å; V167-E171 WeakPolarHBondContact O-CB 3.27Å; V167-E171 VanDerWaalsContact O-CG 3.3Å; V167-E171 WeakPolarHBondContact O-CG 3.13Å; V167-E171 PolarHBondContact O-N 3.42Å |
| 168 | L | 95.8 | Very high | 95.1 | Very high | 13 Ų | 13 | 57.4 Ų | 57.4 | 7% | 0.068 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.8 | -41.5 | -178.4 | -172.4 | 156.7 | 0 | 0 | 0 | 111.6 | V50 C51 V54 Q164 C165 D166 E170 E171 F172 L192 V197 | V50-L168 HydrophobicContact CG1-CD1 4.16Å; C51-L168 HydrophobicContact CB-CD1 3.93Å; V54-L168 HydrophobicContact CG1-CD2 4.12Å; Q164-L168 VanDerWaalsContact O-CB 3.23Å; Q164-L168 WeakPolarHBondContact O-CB 3.47Å; Q164-L168 PolarHBondContact O-N 3.11Å; C165-L168 PolarHBondContact O-N 2.99Å; C165-L168 VanDerWaalsContact O-N 3.09Å; D166-L168 PolarHBondContact O-N 3.38Å; L168-E170 VanDerWaalsContact C-N 3.34Å; L168-E171 PolarHBondContact O-N 3.36Å; L168-F172 HydrophobicContact CD2-CD2 4.39Å; L168-F172 HydrophobicContact CG-CD2 4.06Å; L168-F172 WeakPolarHBondContact O-CB 3.47Å; L168-F172 VanDerWaalsContact O-CD2 3.31Å; L168-F172 WeakPolarHBondContact O-CD2 3.35Å; L168-F172 PolarHBondContact O-N 2.86Å; L168-L192 HydrophobicContact CD2-CD2 4.22Å; L168-V197 HydrophobicContact CD1-CG1 4.25Å; L168-V197 HydrophobicContact CD1-CG2 4.28Å; L168-V197 HydrophobicContact CG-CG2 4.42Å |
| 169 | V | 95.9 | Very high | 95.3 | Very high | 20 Ų | 20 | 58.2 Ų | 58.2 | 12% | 0.121 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.8 | -41 | 178.3 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | V54 I102 C165 D166 E173 | V54-V169 HydrophobicContact CG1-CG2 4.25Å; I102-V169 HydrophobicContact CG2-CG2 3.92Å; C165-V169 WeakPolarHBondContact O-CG2 3.03Å; C165-V169 PolarHBondContact O-N 3.29Å; D166-V169 PolarHBondContact O-N 3.06Å; V169-E173 WeakPolarHBondContact O-CA 3.11Å; V169-E173 PolarHBondContact O-N 3.11Å |
| 170 | E | 95.6 | Very high | 95.3 | Very high | 145 Ų | 145 | 56.2 Ų | 56.2 | 68% | 0.678 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.9 | -48.3 | 174.7 | -71 | 174.9 | 166.2 | 0 | 0 | 112.2 | D166 V167 L168 F172 | D166-E170 VanDerWaalsContact O-CG 3.28Å; D166-E170 WeakPolarHBondContact O-CG 3.37Å; D166-E170 PolarHBondContact O-N 3.14Å; D166-E170 VanDerWaalsContact O-N 3.12Å; V167-E170 PolarHBondContact O-N 2.87Å; L168-E170 VanDerWaalsContact C-N 3.34Å; E170-F172 VanDerWaalsContact C-N 3.3Å; E170-F172 PolarHBondContact O-N 3.35Å |
| 171 | E | 96 | Very high | 95.1 | Very high | 127 Ų | 127 | 61 Ų | 61 | 59% | 0.593 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -66.2 | -30.8 | -177.9 | -76.8 | -179.2 | 175.4 | 0 | 0 | 113.2 | V167 L168 | V167-E171 HydrophobicContact CG1-CG 4.13Å; V167-E171 WeakPolarHBondContact CG1-OE1 3.27Å; V167-E171 WeakPolarHBondContact O-CB 3.27Å; V167-E171 VanDerWaalsContact O-CG 3.3Å; V167-E171 WeakPolarHBondContact O-CG 3.13Å; V167-E171 PolarHBondContact O-N 3.42Å; L168-E171 PolarHBondContact O-N 3.36Å |
| 172 | F | 95.9 | Very high | 95 | Very high | 36 Ų | 36 | 65.5 Ų | 65.5 | 16% | 0.158 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 21.8 | -173.2 | -64.5 | -89.2 | 0 | 0 | 0 | 113.1 | L168 E170 E174 V175 I176 L192 H196 V197 | L168-F172 HydrophobicContact CD2-CD2 4.39Å; L168-F172 HydrophobicContact CG-CD2 4.06Å; L168-F172 WeakPolarHBondContact O-CB 3.47Å; L168-F172 VanDerWaalsContact O-CD2 3.31Å; L168-F172 WeakPolarHBondContact O-CD2 3.35Å; L168-F172 PolarHBondContact O-N 2.86Å; E170-F172 VanDerWaalsContact C-N 3.3Å; E170-F172 PolarHBondContact O-N 3.35Å; F172-E174 PolarHBondContact O-N 2.84Å; F172-V175 HydrophobicContact CB-CB 4.43Å; F172-V175 HydrophobicContact CD1-CG2 4.21Å; F172-V175 WeakPolarHBondContact O-CB 3.39Å; F172-V175 PolarHBondContact O-N 3.08Å; F172-V175 VanDerWaalsContact O-N 3.13Å; F172-I176 WeakPolarHBondContact O-CG1 3.22Å; F172-I176 PolarHBondContact O-N 3.38Å; F172-L192 HydrophobicContact CB-CD1 3.88Å; F172-L192 HydrophobicContact CD1-CD1 4.45Å; F172-L192 HydrophobicContact CG-CD1 4.32Å; F172-H196 HydrophobicContact CD1-CB 4.12Å; F172-H196 HydrophobicContact CE1-CB 4.07Å; F172-V197 HydrophobicContact CD1-CG2 4.15Å; F172-V197 HydrophobicContact CD2-CG2 4.03Å; F172-V197 HydrophobicContact CE1-CG2 3.95Å; F172-V197 HydrophobicContact CE2-CG2 3.84Å; F172-V197 HydrophobicContact CG-CG2 4.2Å; F172-V197 HydrophobicContact CZ-CB 4.31Å; F172-V197 HydrophobicContact CZ-CG2 3.79Å |
| 173 | E | 95.5 | Very high | 94.8 | Very high | 112 Ų | 112 | 65.8 Ų | 65.8 | 52% | 0.523 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -54.3 | -50.5 | 179.3 | -177 | 174.2 | -153.9 | 0 | 0 | 111.8 | V169 V175 I176 E177 | V169-E173 WeakPolarHBondContact O-CA 3.11Å; V169-E173 PolarHBondContact O-N 3.11Å; E173-V175 PolarHBondContact O-N 3.1Å; E173-I176 PolarHBondContact O-N 3.37Å; E173-I176 VanDerWaalsContact O-N 3.08Å; E173-E177 WeakPolarHBondContact O-CG 3.46Å; E173-E177 PolarHBondContact O-N 2.81Å |
| 174 | E | 94.4 | Very high | 94.4 | Very high | 167 Ų | 167 | 63.1 Ų | 63.1 | 78% | 0.78 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -58.9 | -35.6 | 179.5 | -61.8 | -175.2 | 170.3 | 0 | 0 | 112.6 | F172 D178 | F172-E174 PolarHBondContact O-N 2.84Å; E174-D178 WeakPolarHBondContact O-CB 3.24Å; E174-D178 PolarHBondContact O-N 2.71Å |
| 175 | V | 95.7 | Very high | 94 | Very high | 24 Ų | 24 | 68 Ų | 68 | 15% | 0.145 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -72.4 | -39.6 | 179.1 | 179.4 | 0 | 0 | 0 | 0 | 110.5 | F172 E173 W179 F191 L192 H196 | F172-V175 HydrophobicContact CB-CB 4.43Å; F172-V175 HydrophobicContact CD1-CG2 4.21Å; F172-V175 WeakPolarHBondContact O-CB 3.39Å; F172-V175 PolarHBondContact O-N 3.08Å; F172-V175 VanDerWaalsContact O-N 3.13Å; E173-V175 PolarHBondContact O-N 3.1Å; V175-W179 WeakPolarHBondContact O-CB 3.34Å; V175-W179 PolarHBondContact O-N 3.22Å; V175-F191 HydrophobicContact CG1-CD1 4.14Å; V175-F191 HydrophobicContact CG1-CE1 3.64Å; V175-L192 HydrophobicContact CB-CD1 4.36Å; V175-L192 HydrophobicContact CG1-CD1 3.9Å; V175-H196 HydrophobicContact CG1-CB 4.07Å; V175-H196 WeakPolarHBondContact CG2-ND1 3.44Å |
| 176 | I | 95.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 72 Ų | 72 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 176.4 | -66.6 | 165.9 | 0 | 0 | 0 | 110.2 | L58 L95 T99 F172 E173 W179 Y180 L192 | L58-I176 HydrophobicContact CD2-CD1 4.18Å; L58-I176 HydrophobicContact CD2-CG1 4.27Å; L58-I176 HydrophobicContact CD2-CG2 3.96Å; L95-I176 HydrophobicContact CD1-CG2 4.15Å; T99-I176 HydrophobicContact CG2-CG2 4.03Å; F172-I176 WeakPolarHBondContact O-CG1 3.22Å; F172-I176 PolarHBondContact O-N 3.38Å; E173-I176 PolarHBondContact O-N 3.37Å; E173-I176 VanDerWaalsContact O-N 3.08Å; I176-W179 PolarHBondContact O-N 3.27Å; I176-Y180 VanDerWaalsContact O-CB 3.32Å; I176-Y180 WeakPolarHBondContact O-CB 3.48Å; I176-Y180 PolarHBondContact O-N 3.37Å; I176-L192 HydrophobicContact CD1-CD2 4.4Å; I176-L192 HydrophobicContact CG1-CD1 4.1Å; I176-L192 HydrophobicContact CG1-CD2 4.2Å |
| 177 | E | 94 | Very high | 93.4 | Very high | 61 Ų | 61 | 71.8 Ų | 71.8 | 29% | 0.285 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60 | -48.6 | 173.9 | -77.3 | -167.2 | -166.3 | 0 | 0 | 112.3 | L95 E173 Y180 R181 | L95-E177 HydrophobicContact CD2-CB 4.29Å; L95-E177 HydrophobicContact CD2-CG 3.67Å; E173-E177 WeakPolarHBondContact O-CG 3.46Å; E173-E177 PolarHBondContact O-N 2.81Å; E177-Y180 PolarHBondContact O-N 3.39Å; E177-R181 WeakPolarHBondContact O-CG 3.48Å; E177-R181 PolarHBondContact O-N 3.12Å; E177-R181 IonicContact OE2-CZ 3.48Å; E177-R181 IonicContact OE2-NH1 2.67Å; E177-R181 PolarHBondContact OE2-NH1 3.17Å |
| 178 | D | 94.9 | Very high | 93.2 | Very high | 66 Ų | 66 | 68.9 Ų | 68.9 | 35% | 0.353 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 179.7 | -175.7 | 53.5 | 0 | 0 | 0 | 111.1 | E174 Y180 R181 N182 H183 | E174-D178 WeakPolarHBondContact O-CB 3.24Å; E174-D178 PolarHBondContact O-N 2.71Å; D178-Y180 VanDerWaalsContact C-N 3.32Å; D178-Y180 PolarHBondContact O-N 2.96Å; D178-R181 PolarHBondContact O-N 3.17Å; D178-N182 WeakPolarHBondContact O-CB 3.26Å; D178-N182 PolarHBondContact O-N 3.46Å; D178-N182 PolarHBondContact OD1-ND2 2.74Å; D178-H183 IonicContact OD2-CD2 3.76Å; D178-H183 IonicContact OD2-NE2 2.86Å |
| 179 | W | 94.8 | Very high | 93 | Very high | 17 Ų | 17 | 69.3 Ų | 69.3 | 6% | 0.064 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 174.4 | -177.9 | 81.5 | 0 | 0 | 0 | 111.8 | F62 V175 I176 R181 H183 Q184 E186 L188 F191 | F62-W179 HydrophobicContact CD2-CH2 4.41Å; F62-W179 AromaticContact CD2-CZ3 3.77Å; F62-W179 HydrophobicContact CD2-CZ3 3.77Å; F62-W179 HydrophobicContact CE2-CE3 4.49Å; F62-W179 AromaticContact CE2-CZ3 3.87Å; F62-W179 HydrophobicContact CE2-CZ3 3.87Å; V175-W179 WeakPolarHBondContact O-CB 3.34Å; V175-W179 PolarHBondContact O-N 3.22Å; I176-W179 PolarHBondContact O-N 3.27Å; W179-R181 VanDerWaalsContact C-N 3.32Å; W179-R181 PolarHBondContact O-N 3.32Å; W179-H183 HydrophobicContact CG-CB 4.37Å; W179-H183 PolarHBondContact NE1-O 2.76Å; W179-H183 CarbonylContact O-C 3.56Å; W179-H183 VanDerWaalsContact O-C 3.28Å; W179-H183 WeakPolarHBondContact O-CA 3.45Å; W179-H183 PolarHBondContact O-N 2.94Å; W179-Q184 PolarHBondContact O-N 3.35Å; W179-E186 WeakPolarHBondContact CZ2-O 3.35Å; W179-E186 PolarHBondContact NE1-O 3.33Å; W179-E186 VanDerWaalsContact NE1-O 3.16Å; W179-L188 HydrophobicContact CB-CD1 4.44Å; W179-L188 HydrophobicContact CD2-CB 4.3Å; W179-L188 HydrophobicContact CD2-CD1 3.56Å; W179-L188 HydrophobicContact CD2-CG 4.41Å; W179-L188 HydrophobicContact CE3-CD1 3.76Å; W179-L188 HydrophobicContact CE3-CD2 4.42Å; W179-L188 HydrophobicContact CE3-CG 4.49Å; W179-L188 HydrophobicContact CG-CD1 3.84Å; W179-L188 HydrophobicContact CH2-CB 4.05Å; W179-L188 HydrophobicContact CH2-CD2 4.32Å; W179-L188 HydrophobicContact CZ2-CB 3.68Å; W179-L188 HydrophobicContact CZ2-CD1 4.49Å; W179-L188 HydrophobicContact CZ3-CD1 4.3Å; W179-L188 HydrophobicContact CZ3-CD2 4.16Å; W179-F191 HydrophobicContact CB-CD1 3.73Å; W179-F191 HydrophobicContact CB-CE1 3.61Å; W179-F191 HydrophobicContact CB-CZ 4.3Å; W179-F191 AromaticContact CD1-CD1 3.56Å; W179-F191 AromaticContact CD1-CG 3.5Å; W179-F191 VanDerWaalsContact CD1-CG 3.5Å; W179-F191 AromaticContact CG-CD1 3.92Å; W179-F191 HydrophobicContact CG-CD1 3.92Å; W179-F191 HydrophobicContact CG-CE1 4.25Å; W179-F191 HydrophobicContact CG-CG 4.3Å |
| 180 | Y | 92.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 74.7 Ų | 74.7 | 2% | 0.016 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.6 | -33.6 | -178.3 | -178.2 | -103.1 | 0 | 0 | 0 | 112.8 | F62 T89 S91 R94 L95 I176 E177 D178 Q184 | F62-Y180 HydrophobicContact CD1-CD2 4.14Å; F62-Y180 AromaticContact CD1-CE2 3.81Å; F62-Y180 HydrophobicContact CD1-CE2 3.81Å; F62-Y180 AromaticContact CE1-CD2 3.71Å; F62-Y180 HydrophobicContact CE1-CD2 3.71Å; F62-Y180 AromaticContact CE1-CE2 3.6Å; F62-Y180 HydrophobicContact CE1-CE2 3.6Å; F62-Y180 HydrophobicContact CE2-CD2 4.3Å; F62-Y180 AromaticContact CZ-CD2 3.81Å; F62-Y180 HydrophobicContact CZ-CD2 3.81Å; F62-Y180 HydrophobicContact CZ-CE2 4.2Å; T89-Y180 PolarHBondContact O-OH 3.05Å; S91-Y180 PolarHBondContact O-OH 3.22Å; R94-Y180 WeakPolarHBondContact CD-OH 3.45Å; R94-Y180 PolarHBondContact NH1-OH 2.8Å; L95-Y180 HydrophobicContact CB-CD1 4.09Å; L95-Y180 HydrophobicContact CB-CE1 4Å; L95-Y180 HydrophobicContact CD1-CD1 4.12Å; L95-Y180 HydrophobicContact CD1-CD2 4.14Å; L95-Y180 HydrophobicContact CD1-CG 3.81Å; L95-Y180 HydrophobicContact CD2-CD1 3.98Å; L95-Y180 HydrophobicContact CD2-CG 4.34Å; L95-Y180 HydrophobicContact CG-CD1 4.31Å; L95-Y180 HydrophobicContact CG-CG 4.48Å; I176-Y180 VanDerWaalsContact O-CB 3.32Å; I176-Y180 WeakPolarHBondContact O-CB 3.48Å; I176-Y180 PolarHBondContact O-N 3.37Å; E177-Y180 PolarHBondContact O-N 3.39Å; D178-Y180 VanDerWaalsContact C-N 3.32Å; D178-Y180 PolarHBondContact O-N 2.96Å; Y180-Q184 WeakPolarHBondContact O-CG 3.15Å; Y180-Q184 PolarHBondContact O-NE2 3.19Å |
| 181 | R | 91.3 | Very high | 92.8 | Very high | 130 Ų | 130 | 68.4 Ų | 68.4 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -85.3 | -39.3 | -179.4 | -71.5 | 179.8 | 175.4 | 149.3 | -1.7 | 112.9 | D92 E177 D178 W179 | D92-R181 IonicContact OD1-CZ 3.55Å; D92-R181 IonicContact OD1-NE 3.78Å; D92-R181 PolarHBondContact OD1-NE 2.95Å; D92-R181 IonicContact OD1-NH2 2.78Å; D92-R181 PolarHBondContact OD1-NH2 2.62Å; D92-R181 IonicContact OD2-CZ 3.72Å; D92-R181 IonicContact OD2-NH2 3.26Å; D92-R181 PolarHBondContact OD2-NH2 3.44Å; E177-R181 WeakPolarHBondContact O-CG 3.48Å; E177-R181 PolarHBondContact O-N 3.12Å; E177-R181 IonicContact OE2-CZ 3.48Å; E177-R181 IonicContact OE2-NH1 2.67Å; E177-R181 PolarHBondContact OE2-NH1 3.17Å; D178-R181 PolarHBondContact O-N 3.17Å; W179-R181 VanDerWaalsContact C-N 3.32Å; W179-R181 PolarHBondContact O-N 3.32Å |
| 182 | N | 92.2 | Very high | 92.7 | Very high | 96 Ų | 96 | 62.4 Ų | 62.4 | 51% | 0.513 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -118 | -21.5 | -163.7 | -60.1 | -42.8 | 0 | 0 | 0 | 114.6 | D178 | D178-N182 WeakPolarHBondContact O-CB 3.26Å; D178-N182 PolarHBondContact O-N 3.46Å; D178-N182 PolarHBondContact OD1-ND2 2.74Å |
| 183 | H | 90.6 | Very high | 92.6 | Very high | 50 Ų | 50 | 60.7 Ų | 60.7 | 23% | 0.231 | 29% | 0.287 | C | S | . | . | trans | -131 | 32.2 | -169.3 | -58.2 | -86.6 | 0 | 0 | 0 | 114.3 | D178 W179 E185 E186 F191 | D178-H183 IonicContact OD2-CD2 3.76Å; D178-H183 IonicContact OD2-NE2 2.86Å; W179-H183 HydrophobicContact CG-CB 4.37Å; W179-H183 PolarHBondContact NE1-O 2.76Å; W179-H183 CarbonylContact O-C 3.56Å; W179-H183 VanDerWaalsContact O-C 3.28Å; W179-H183 WeakPolarHBondContact O-CA 3.45Å; W179-H183 PolarHBondContact O-N 2.94Å; H183-E185 PolarHBondContact O-N 2.81Å; H183-E186 HydrophobicContact CB-CB 4.44Å; H183-E186 HydrophobicContact CB-CG 4.38Å; H183-E186 IonicContact CE1-OE1 3.79Å; H183-E186 IonicContact CG-OE1 3.72Å; H183-E186 IonicContact ND1-OE1 3.81Å; H183-E186 PolarHBondContact ND1-OE1 3.23Å; H183-E186 PolarHBondContact O-N 3.22Å; H183-F191 HydrophobicContact CB-CE2 4.26Å; H183-F191 AromaticContact CD2-CE2 3.94Å; H183-F191 AromaticContact CG-CE2 3.91Å | ||
| 184 | Q | 86.4 | Confident | 92.5 | Very high | 84 Ų | 84 | 56.8 Ų | 56.8 | 39% | 0.393 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -19.7 | -177.9 | -68.1 | -169.1 | -0.1 | 0 | 0 | 114.1 | W179 Y180 | W179-Q184 PolarHBondContact O-N 3.35Å; Y180-Q184 WeakPolarHBondContact O-CG 3.15Å; Y180-Q184 PolarHBondContact O-NE2 3.19Å |
| 185 | E | 87.2 | Confident | 92.4 | Very high | 152 Ų | 152 | 53.3 Ų | 53.3 | 71% | 0.71 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -21.2 | 175.7 | 62.2 | -86.7 | -157.6 | 0 | 0 | 114.3 | H183 | H183-E185 PolarHBondContact O-N 2.81Š|
| 186 | E | 90.6 | Very high | 92.2 | Very high | 85 Ų | 85 | 54.7 Ų | 54.7 | 40% | 0.397 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -85 | 150.9 | -179.8 | -64.2 | -176.8 | -144.6 | 0 | 0 | 111.1 | W179 H183 L188 F191 | W179-E186 WeakPolarHBondContact CZ2-O 3.35Å; W179-E186 PolarHBondContact NE1-O 3.33Å; W179-E186 VanDerWaalsContact NE1-O 3.16Å; H183-E186 HydrophobicContact CB-CB 4.44Å; H183-E186 HydrophobicContact CB-CG 4.38Å; H183-E186 IonicContact CE1-OE1 3.79Å; H183-E186 IonicContact CG-OE1 3.72Å; H183-E186 IonicContact ND1-OE1 3.81Å; H183-E186 PolarHBondContact ND1-OE1 3.23Å; H183-E186 PolarHBondContact O-N 3.22Å; E186-L188 PolarHBondContact O-N 3.4Å; E186-F191 WeakPolarHBondContact OE2-CD2 3.23Å |
| 187 | D | 91 | Very high | 92.1 | Very high | 55 Ų | 55 | 55.6 Ų | 55.6 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | trans | -71.5 | 117.3 | 175.8 | -163.5 | -77.2 | 0 | 0 | 0 | 110.2 | K59 T189 E190 F191 | K59-D187 IonicContact NZ-OD2 3.51Å; K59-D187 PolarHBondContact NZ-OD2 3Å; D187-T189 PolarHBondContact O-N 3.26Å; D187-T189 VanDerWaalsContact O-N 3.1Å; D187-T189 WeakPolarHBondContact OD1-CA 3.39Å; D187-T189 WeakPolarHBondContact OD1-CB 3.44Å; D187-T189 PolarHBondContact OD1-N 3.03Å; D187-T189 PolarHBondContact OD1-OG1 3.48Å; D187-E190 HydrophobicContact CB-CB 4.5Å; D187-E190 HydrophobicContact CB-CG 4.37Å; D187-E190 PolarHBondContact O-N 3.45Å; D187-F191 PolarHBondContact O-N 2.81Å | ||
| 188 | L | 91.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -53.9 | -31.7 | 179.3 | -179 | 59.9 | 0 | 0 | 0 | 113.2 | A55 L58 W179 E186 L192 | A55-L188 HydrophobicContact CB-CG 4.43Å; L58-L188 HydrophobicContact CB-CD2 3.7Å; L58-L188 HydrophobicContact CD2-CD2 3.68Å; L58-L188 HydrophobicContact CG-CD2 3.54Å; W179-L188 HydrophobicContact CB-CD1 4.44Å; W179-L188 HydrophobicContact CD2-CB 4.3Å; W179-L188 HydrophobicContact CD2-CD1 3.56Å; W179-L188 HydrophobicContact CD2-CG 4.41Å; W179-L188 HydrophobicContact CE3-CD1 3.76Å; W179-L188 HydrophobicContact CE3-CD2 4.42Å; W179-L188 HydrophobicContact CE3-CG 4.49Å; W179-L188 HydrophobicContact CG-CD1 3.84Å; W179-L188 HydrophobicContact CH2-CB 4.05Å; W179-L188 HydrophobicContact CH2-CD2 4.32Å; W179-L188 HydrophobicContact CZ2-CB 3.68Å; W179-L188 HydrophobicContact CZ2-CD1 4.49Å; W179-L188 HydrophobicContact CZ3-CD1 4.3Å; W179-L188 HydrophobicContact CZ3-CD2 4.16Å; E186-L188 PolarHBondContact O-N 3.4Å; L188-L192 HydrophobicContact CD1-CB 4.06Å; L188-L192 WeakPolarHBondContact O-CB 3.48Å; L188-L192 PolarHBondContact O-N 3.09Å |
| 189 | T | 92.3 | Very high | 91.5 | Very high | 21 Ų | 21 | 57 Ų | 57 | 13% | 0.129 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -66 | -42 | 178.2 | -39.4 | 0 | 0 | 0 | 0 | 110.9 | A55 D187 C193 L206 | A55-T189 HydrophobicContact CB-CG2 4.18Å; D187-T189 PolarHBondContact O-N 3.26Å; D187-T189 VanDerWaalsContact O-N 3.1Å; D187-T189 WeakPolarHBondContact OD1-CA 3.39Å; D187-T189 WeakPolarHBondContact OD1-CB 3.44Å; D187-T189 PolarHBondContact OD1-N 3.03Å; D187-T189 PolarHBondContact OD1-OG1 3.48Å; T189-C193 WeakPolarHBondContact O-CA 3.14Å; T189-C193 WeakPolarHBondContact O-CB 3.04Å; T189-C193 PolarHBondContact O-N 3Å; T189-L206 HydrophobicContact CG2-CD2 3.89Å |
| 190 | E | 92.4 | Very high | 90.6 | Very high | 133 Ų | 133 | 60.3 Ų | 60.3 | 62% | 0.621 | 31% | 0.312 | S | S | * | . | I | π-helix | trans | -73.7 | -46.5 | 177.9 | -65.1 | -175.9 | 176.5 | 0 | 0 | 110.4 | D187 A194 N195 | D187-E190 HydrophobicContact CB-CB 4.5Å; D187-E190 HydrophobicContact CB-CG 4.37Å; D187-E190 PolarHBondContact O-N 3.45Å; E190-A194 VanDerWaalsContact O-CB 3.27Å; E190-A194 WeakPolarHBondContact O-CB 3.34Å; E190-A194 PolarHBondContact O-N 2.89Å; E190-A194 VanDerWaalsContact O-N 3.11Å; E190-N195 PolarHBondContact O-N 3.24Å |
| 191 | F | 93.9 | Very high | 90.4 | Very high | 14 Ų | 14 | 66.2 Ų | 66.2 | 6% | 0.061 | 34% | 0.338 | C | S | . | . | I | π-helix | trans | -59.5 | -61.3 | 179.4 | -171.3 | -89.9 | 0 | 0 | 0 | 111.2 | V175 W179 H183 E186 D187 N195 H196 | V175-F191 HydrophobicContact CG1-CD1 4.14Å; V175-F191 HydrophobicContact CG1-CE1 3.64Å; W179-F191 HydrophobicContact CB-CD1 3.73Å; W179-F191 HydrophobicContact CB-CE1 3.61Å; W179-F191 HydrophobicContact CB-CZ 4.3Å; W179-F191 AromaticContact CD1-CD1 3.56Å; W179-F191 AromaticContact CD1-CG 3.5Å; W179-F191 VanDerWaalsContact CD1-CG 3.5Å; W179-F191 AromaticContact CG-CD1 3.92Å; W179-F191 HydrophobicContact CG-CD1 3.92Å; W179-F191 HydrophobicContact CG-CE1 4.25Å; W179-F191 HydrophobicContact CG-CG 4.3Å; H183-F191 HydrophobicContact CB-CE2 4.26Å; H183-F191 AromaticContact CD2-CE2 3.94Å; H183-F191 AromaticContact CG-CE2 3.91Å; E186-F191 WeakPolarHBondContact OE2-CD2 3.23Å; D187-F191 PolarHBondContact O-N 2.81Å; F191-N195 WeakPolarHBondContact O-CB 3.5Å; F191-H196 PolarHBondContact O-CD2 3.45Å; F191-H196 VanDerWaalsContact O-CD2 3.26Å |
| 192 | L | 94.3 | Very high | 90 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | I | π-helix | trans | -70.2 | -51.1 | -176.5 | -175.6 | 63.6 | 0 | 0 | 0 | 111.6 | L168 F172 V175 I176 L188 H196 V197 | L168-L192 HydrophobicContact CD2-CD2 4.22Å; F172-L192 HydrophobicContact CB-CD1 3.88Å; F172-L192 HydrophobicContact CD1-CD1 4.45Å; F172-L192 HydrophobicContact CG-CD1 4.32Å; V175-L192 HydrophobicContact CB-CD1 4.36Å; V175-L192 HydrophobicContact CG1-CD1 3.9Å; I176-L192 HydrophobicContact CD1-CD2 4.4Å; I176-L192 HydrophobicContact CG1-CD1 4.1Å; I176-L192 HydrophobicContact CG1-CD2 4.2Å; L188-L192 HydrophobicContact CD1-CB 4.06Å; L188-L192 WeakPolarHBondContact O-CB 3.48Å; L188-L192 PolarHBondContact O-N 3.09Å; L192-H196 WeakPolarHBondContact O-CA 3.18Å; L192-H196 WeakPolarHBondContact O-CB 3.18Å; L192-H196 PolarHBondContact O-N 2.99Å; L192-V197 HydrophobicContact CD1-CG2 4.36Å; L192-V197 HydrophobicContact CG-CG2 4.26Å; L192-V197 WeakPolarHBondContact O-CG2 3.1Å; L192-V197 PolarHBondContact O-N 3.42Å |
| 193 | C | 94.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | I | π-helix | trans | -82.6 | -49.8 | -168.5 | -55.3 | 0 | 0 | 0 | 0 | 113.7 | C51 T189 L198 L206 | C51-C193 HydrophobicContact CB-CB 3.82Å; C51-C193 WeakPolarHBondContact CB-SG 3.39Å; C51-C193 PolarHBondContact O-SG 2.81Å; C51-C193 WeakPolarHBondContact SG-CA 3.45Å; C51-C193 WeakPolarHBondContact SG-CB 3.41Å; C51-C193 CovalentContact SG-SG 2.03Å; C51-C193 PolarHBondContact SG-SG 3.14Å; T189-C193 WeakPolarHBondContact O-CA 3.14Å; T189-C193 WeakPolarHBondContact O-CB 3.04Å; T189-C193 PolarHBondContact O-N 3Å; C193-L198 HydrophobicContact CB-CD1 4.48Å; C193-L198 WeakPolarHBondContact O-CB 3.36Å; C193-L198 VanDerWaalsContact O-CG 3.3Å; C193-L198 WeakPolarHBondContact O-CG 3.46Å; C193-L198 PolarHBondContact O-N 3.16Å; C193-L206 HydrophobicContact CB-CD1 3.81Å; C193-L206 HydrophobicContact CB-CD2 3.92Å |
| 194 | A | 92.3 | Very high | 89.8 | Confident | 30 Ų | 30 | 66.4 Ų | 66.4 | 25% | 0.248 | 36% | 0.359 | C | S | . | . | I | π-helix | trans | -71.5 | -45.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | E190 T203 L206 | E190-A194 VanDerWaalsContact O-CB 3.27Å; E190-A194 WeakPolarHBondContact O-CB 3.34Å; E190-A194 PolarHBondContact O-N 2.89Å; E190-A194 VanDerWaalsContact O-N 3.11Å; A194-T203 HydrophobicContact CB-CG2 4.38Å; A194-L206 HydrophobicContact CB-CD1 4.21Å |
| 195 | N | 92.4 | Very high | 89.9 | Confident | 94 Ų | 94 | 62.8 Ų | 62.8 | 50% | 0.503 | 34% | 0.343 | S | S | . | . | I | π-helix | trans | -86 | -36.2 | -172.7 | -56.4 | -28 | 0 | 0 | 0 | 113.3 | E190 F191 K199 | E190-N195 PolarHBondContact O-N 3.24Å; F191-N195 WeakPolarHBondContact O-CB 3.5Å; N195-K199 WeakPolarHBondContact O-CG 3.41Å |
| 196 | H | 91.9 | Very high | 90 | Very high | 54 Ų | 54 | 57.4 Ų | 57.4 | 25% | 0.25 | 32% | 0.319 | C | S | . | . | I | π-helix | trans | -105.8 | -49.6 | -173 | -69.7 | -103.5 | 0 | 0 | 0 | 114.5 | F172 V175 F191 L192 K199 | F172-H196 HydrophobicContact CD1-CB 4.12Å; F172-H196 HydrophobicContact CE1-CB 4.07Å; V175-H196 HydrophobicContact CG1-CB 4.07Å; V175-H196 WeakPolarHBondContact CG2-ND1 3.44Å; F191-H196 PolarHBondContact O-CD2 3.45Å; F191-H196 VanDerWaalsContact O-CD2 3.26Å; L192-H196 WeakPolarHBondContact O-CA 3.18Å; L192-H196 WeakPolarHBondContact O-CB 3.18Å; L192-H196 PolarHBondContact O-N 2.99Å; H196-K199 WeakPolarHBondContact O-CD 3.43Å; H196-K199 WeakPolarHBondContact O-CE 3.12Å; H196-K199 WeakPolarHBondContact O-CG 3.1Å |
| 197 | V | 92.8 | Very high | 89.8 | Confident | 21 Ų | 21 | 57.5 Ų | 57.5 | 13% | 0.127 | 34% | 0.335 | C | S | . | . | I | π-helix | trans | -80.2 | -42.9 | -174.2 | 178.1 | 0 | 0 | 0 | 0 | 112.5 | C51 L168 F172 L192 | C51-V197 HydrophobicContact CB-CB 4.4Å; C51-V197 HydrophobicContact CB-CG1 4.08Å; C51-V197 VanDerWaalsContact SG-CG2 3.59Å; L168-V197 HydrophobicContact CD1-CG1 4.25Å; L168-V197 HydrophobicContact CD1-CG2 4.28Å; L168-V197 HydrophobicContact CG-CG2 4.42Å; F172-V197 HydrophobicContact CD1-CG2 4.15Å; F172-V197 HydrophobicContact CD2-CG2 4.03Å; F172-V197 HydrophobicContact CE1-CG2 3.95Å; F172-V197 HydrophobicContact CE2-CG2 3.84Å; F172-V197 HydrophobicContact CG-CG2 4.2Å; F172-V197 HydrophobicContact CZ-CB 4.31Å; F172-V197 HydrophobicContact CZ-CG2 3.79Å; L192-V197 HydrophobicContact CD1-CG2 4.36Å; L192-V197 HydrophobicContact CG-CG2 4.26Å; L192-V197 WeakPolarHBondContact O-CG2 3.1Å; L192-V197 PolarHBondContact O-N 3.42Å |
| 198 | L | 91.1 | Very high | 89.6 | Confident | 5 Ų | 5 | 58.2 Ų | 58.2 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -93.2 | -23.6 | -172 | -63 | 172.3 | 0 | 0 | 0 | 114 | C48 C193 G200 K201 T203 L206 | C48-L198 HydrophobicContact CB-CD1 4.2Å; C48-L198 HydrophobicContact CB-CD2 3.98Å; C48-L198 VanDerWaalsContact SG-CD1 3.58Å; C193-L198 HydrophobicContact CB-CD1 4.48Å; C193-L198 WeakPolarHBondContact O-CB 3.36Å; C193-L198 VanDerWaalsContact O-CG 3.3Å; C193-L198 WeakPolarHBondContact O-CG 3.46Å; C193-L198 PolarHBondContact O-N 3.16Å; L198-G200 VanDerWaalsContact C-N 3.34Å; L198-G200 PolarHBondContact O-N 3.05Å; L198-K201 HydrophobicContact CB-CB 4.46Å; L198-K201 VanDerWaalsContact O-CB 3.23Å; L198-K201 WeakPolarHBondContact O-CB 3.36Å; L198-K201 VanDerWaalsContact O-CG 3.32Å; L198-K201 WeakPolarHBondContact O-CG 2.93Å; L198-K201 PolarHBondContact O-N 3.32Å; L198-T203 HydrophobicContact CB-CG2 4.29Å; L198-T203 HydrophobicContact CD1-CG2 3.94Å; L198-L206 HydrophobicContact CD1-CD1 4.09Å; L198-L206 HydrophobicContact CD1-CG 4.41Å |
| 199 | K | 85.3 | Confident | 89 | Confident | 151 Ų | 151 | 69.1 Ų | 69.1 | 66% | 0.657 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 25 | 63.2 | 171.2 | -74.5 | 179 | -177.7 | 179 | 0 | 114.7 | N195 H196 | N195-K199 WeakPolarHBondContact O-CG 3.41Å; H196-K199 WeakPolarHBondContact O-CD 3.43Å; H196-K199 WeakPolarHBondContact O-CE 3.12Å; H196-K199 WeakPolarHBondContact O-CG 3.1Å |
| 200 | G | 76.9 | Confident | 88 | Confident | 86 Ų | 86 | 72.6 Ų | 72.6 | 89% | 0.887 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.1 | 10.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | L198 | L198-G200 VanDerWaalsContact C-N 3.34Å; L198-G200 PolarHBondContact O-N 3.05Å |
| 201 | K | 86.7 | Confident | 86.5 | Confident | 129 Ų | 129 | 71.3 Ų | 71.3 | 56% | 0.561 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -91.2 | 172.9 | 168 | -64.3 | 175 | -177.5 | 174 | 0 | 111.1 | L198 T203 | L198-K201 HydrophobicContact CB-CB 4.46Å; L198-K201 VanDerWaalsContact O-CB 3.23Å; L198-K201 WeakPolarHBondContact O-CB 3.36Å; L198-K201 VanDerWaalsContact O-CG 3.32Å; L198-K201 WeakPolarHBondContact O-CG 2.93Å; L198-K201 PolarHBondContact O-N 3.32Å; K201-T203 PolarHBondContact O-N 3.46Å; K201-T203 VanDerWaalsContact O-N 3.14Å |
| 202 | D | 84.4 | Confident | 85 | Confident | 136 Ų | 136 | 73 Ų | 73 | 73% | 0.727 | 42% | 0.415 | S | S | * | . | trans | -57.7 | 116.4 | 177.7 | -58.9 | -43.7 | 0 | 0 | 0 | 111.2 | C48 | C48-D202 PolarHBondContact SG-O 3.21Å; C48-D202 VanDerWaalsContact SG-O 3.33Å | ||
| 203 | T | 88.7 | Confident | 83.2 | Confident | 66 Ų | 66 | 80.8 Ų | 80.8 | 41% | 0.405 | 45% | 0.449 | S | S | . | . | trans | -97 | 9.5 | 175.3 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | A194 L198 K201 C205 L206 | A194-T203 HydrophobicContact CB-CG2 4.38Å; L198-T203 HydrophobicContact CB-CG2 4.29Å; L198-T203 HydrophobicContact CD1-CG2 3.94Å; K201-T203 PolarHBondContact O-N 3.46Å; K201-T203 VanDerWaalsContact O-N 3.14Å; T203-C205 PolarHBondContact O-N 2.91Å; T203-C205 VanDerWaalsContact O-N 3.11Å; T203-L206 HydrophobicContact CG2-CD1 4.42Å; T203-L206 WeakPolarHBondContact O-CB 3.19Å; T203-L206 PolarHBondContact O-N 3.39Å | ||
| 204 | S | 88.4 | Confident | 80.7 | Confident | 78 Ų | 78 | 91.6 Ų | 91.6 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -55.1 | -34 | -175.7 | 56.1 | 0 | 0 | 0 | 0 | 113 | L206 A207 | S204-L206 PolarHBondContact O-N 3.43Å; S204-A207 PolarHBondContact O-N 2.83Å |
| 205 | C | 89.5 | Confident | 78.7 | Confident | 8 Ų | 8 | 93.6 Ų | 93.6 | 5% | 0.054 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -61.1 | -31.3 | 178.5 | 80.4 | 0 | 0 | 0 | 0 | 112.9 | C48 K52 S118 T203 | C48-C205 VanDerWaalsContact CA-SG 3.52Å; C48-C205 HydrophobicContact CB-CB 3.9Å; C48-C205 WeakPolarHBondContact CB-SG 3.38Å; C48-C205 PolarHBondContact O-SG 3.39Å; C48-C205 WeakPolarHBondContact SG-CB 3.49Å; C48-C205 CovalentContact SG-SG 2.01Å; C48-C205 PolarHBondContact SG-SG 3.31Å; K52-C205 WeakPolarHBondContact CD-O 3.15Å; K52-C205 WeakPolarHBondContact CE-O 3.38Å; K52-C205 PolarHBondContact NZ-O 3.42Å; S118-C205 PolarHBondContact OG-O 2.75Å; T203-C205 PolarHBondContact O-N 2.91Å; T203-C205 VanDerWaalsContact O-N 3.11Å |
| 206 | L | 89.3 | Confident | 76.2 | Confident | 38 Ų | 38 | 92 Ų | 92 | 20% | 0.199 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -72.4 | -34.2 | -175.4 | -55.6 | -178.6 | 0 | 0 | 0 | 111.3 | K52 T189 C193 A194 L198 T203 S204 E208 | K52-L206 HydrophobicContact CB-CD2 3.85Å; K52-L206 HydrophobicContact CG-CD2 4.26Å; T189-L206 HydrophobicContact CG2-CD2 3.89Å; C193-L206 HydrophobicContact CB-CD1 3.81Å; C193-L206 HydrophobicContact CB-CD2 3.92Å; A194-L206 HydrophobicContact CB-CD1 4.21Å; L198-L206 HydrophobicContact CD1-CD1 4.09Å; L198-L206 HydrophobicContact CD1-CG 4.41Å; T203-L206 HydrophobicContact CG2-CD1 4.42Å; T203-L206 WeakPolarHBondContact O-CB 3.19Å; T203-L206 PolarHBondContact O-N 3.39Å; S204-L206 PolarHBondContact O-N 3.43Å; L206-E208 VanDerWaalsContact C-N 3.35Å |
| 207 | A | 86.1 | Confident | 73.9 | Confident | 88 Ų | 88 | 97.3 Ų | 97.3 | 73% | 0.727 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -76.5 | -21.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S204 R209 | S204-A207 PolarHBondContact O-N 2.83Å; A207-R209 PolarHBondContact O-N 3.35Å |
| 208 | E | 86.2 | Confident | 71.6 | Confident | 69 Ų | 69 | 99.3 Ų | 99.3 | 32% | 0.322 | 56% | 0.558 | S | S | . | * | trans | -67.9 | 118.4 | -179.4 | -70.6 | 177.1 | 176.4 | 0 | 0 | 110.8 | K52 S118 L206 | K52-E208 PolarHBondContact NZ-O 2.96Å; S118-E208 VanDerWaalsContact CB-OE2 3.31Å; S118-E208 WeakPolarHBondContact CB-OE2 3.43Å; S118-E208 PolarHBondContact N-OE2 3.15Å; S118-E208 PolarHBondContact OG-OE2 3Å; L206-E208 VanDerWaalsContact C-N 3.35Å | ||
| 209 | R | 80.3 | Confident | 69.3 | Low | 230 Ų | 230 | 104.5 Ų | 104.5 | 87% | 0.868 | 59% | 0.594 | S | S | * | * | trans | -118 | 126.3 | 174.9 | -162.3 | 170.8 | 179.5 | 159.9 | 1.2 | 109.5 | A207 S211 | A207-R209 PolarHBondContact O-N 3.35Å; R209-S211 PolarHBondContact O-N 3.35Å | ||
| 210 | W | 71.6 | Confident | 67.3 | Low | 95 Ų | 95 | 105.3 Ų | 105.3 | 36% | 0.36 | 61% | 0.605 | S | S | . | * | trans | -68.3 | 105.6 | 173.8 | -176.4 | -113.7 | 0 | 0 | 0 | 110 | R115 N119 G212 | R115-W210 HydrophobicContact CB-CZ3 4.42Å; R115-W210 HydrophobicContact CG-CH2 3.77Å; R115-W210 HydrophobicContact CG-CZ2 4.36Å; R115-W210 HydrophobicContact CG-CZ3 3.85Å; R115-W210 VanDerWaalsContact NE-CZ2 3.3Å; N119-W210 HydrophobicContact CB-CB 4.4Å; N119-W210 HydrophobicContact CB-CE3 4.15Å; W210-G212 PolarHBondContact O-N 3.44Å | ||
| 211 | S | 59.8 | Low | 65.8 | Low | 105 Ų | 105 | 105.5 Ų | 105.5 | 73% | 0.734 | 61% | 0.607 | S | S | * | * | trans | -85.2 | 94.1 | 164 | 60.3 | 0 | 0 | 0 | 0 | 107.4 | R209 K213 | R209-S211 PolarHBondContact O-N 3.35Å; S211-K213 PolarHBondContact O-N 3.08Å | ||
| 212 | G | 63 | Low | 63.3 | Low | 49 Ų | 49 | 102.4 Ų | 102.4 | 51% | 0.505 | 61% | 0.611 | S | S | . | * | trans | -45.9 | 138.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114 | W210 | W210-G212 PolarHBondContact O-N 3.44Š| ||
| 213 | K | 57.3 | Low | 60.9 | Low | 165 Ų | 165 | 105.8 Ų | 105.8 | 72% | 0.717 | 62% | 0.62 | S | S | * | * | trans | -77.8 | 154.1 | 167.4 | -84.1 | -178.9 | 178.5 | 174.6 | 0 | 109.7 | S211 G215 D216 | S211-K213 PolarHBondContact O-N 3.08Å; K213-G215 PolarHBondContact O-N 3.49Å; K213-D216 PolarHBondContact O-N 3.12Å | ||
| 214 | K | 39.8 | Very low | 58.2 | Low | 226 Ų | 226 | 112.6 Ų | 112.6 | 98% | 0.983 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | 90.2 | -178.2 | -170.6 | -176.4 | -173.1 | -173.6 | 0 | 110.3 | ||
| 215 | G | 51 | Low | 55.8 | Low | 72 Ų | 72 | 114.4 Ų | 114.4 | 74% | 0.742 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 168.9 | -29.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K213 I217 | K213-G215 PolarHBondContact O-N 3.49Å; G215-I217 PolarHBondContact O-N 3.39Å |
| 216 | D | 40.5 | Very low | 53.1 | Low | 60 Ų | 60 | 124 Ų | 124 | 32% | 0.321 | 70% | 0.697 | S | S | . | * | trans | -86.3 | 106.2 | -173.6 | -57.6 | -21.4 | 0 | 0 | 0 | 112.2 | R115 K213 A218 | R115-D216 IonicContact NH2-OD2 2.76Å; R115-D216 PolarHBondContact NH2-OD2 3.19Å; R115-D216 VanDerWaalsContact NH2-OD2 3.11Å; K213-D216 PolarHBondContact O-N 3.12Å; D216-A218 PolarHBondContact O-N 2.82Å | ||
| 217 | I | 43.4 | Very low | 50.3 | Low | 167 Ų | 167 | 131.2 Ų | 131.2 | 86% | 0.856 | 73% | 0.727 | S | S | * | * | trans | -87.8 | 74.4 | 150.1 | -62.6 | 173.9 | 0 | 0 | 0 | 106.5 | G215 | G215-I217 PolarHBondContact O-N 3.39Š| ||
| 218 | A | 44.1 | Very low | 47.7 | Very low | 63 Ų | 63 | 136.8 Ų | 136.8 | 52% | 0.521 | 74% | 0.735 | S | S | . | * | trans | -91.8 | 112.8 | 156 | 0 | 0 | 0 | 0 | 0 | 106.6 | D216 L220 | D216-A218 PolarHBondContact O-N 2.82Å; A218-L220 PolarHBondContact O-N 3.38Å | ||
| 219 | S | 43.6 | Very low | 45.1 | Very low | 113 Ų | 113 | 144.4 Ų | 144.4 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -62.3 | 92.1 | -178.8 | -76.8 | 0 | 0 | 0 | 0 | 111.1 | G221 | S219-G221 PolarHBondContact O-N 3.19Š| ||
| 220 | L | 42.6 | Very low | 42.8 | Very low | 169 Ų | 169 | 137.2 Ų | 137.2 | 89% | 0.885 | 76% | 0.758 | S | S | * | * | trans | -68.4 | 119.7 | 145.6 | -65.3 | 176 | 0 | 0 | 0 | 106.4 | A218 G222 | A218-L220 PolarHBondContact O-N 3.38Å; L220-G222 PolarHBondContact O-N 3.03Å | ||
| 221 | G | 45.9 | Very low | 40.8 | Very low | 90 Ų | 90 | 144.6 Ų | 144.6 | 93% | 0.928 | 79% | 0.786 | S | S | * | * | trans | -60 | 66.7 | -173 | 0 | 0 | 0 | 0 | 0 | 115.7 | S219 | S219-G221 PolarHBondContact O-N 3.19Š| ||
| 222 | G | 32.9 | Very low | 39.6 | Very low | 63 Ų | 63 | 146.1 Ų | 146.1 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | trans | -96 | 94.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L220 K224 | L220-G222 PolarHBondContact O-N 3.03Å; G222-K224 PolarHBondContact O-N 3.3Å | ||
| 223 | K | 35.6 | Very low | 38.1 | Very low | 207 Ų | 207 | 153.7 Ų | 153.7 | 90% | 0.9 | 81% | 0.809 | S | S | * | * | trans | -58.7 | 98.2 | 162.9 | -80.8 | -177.6 | 175.6 | 177.5 | 0 | 108.7 | S225 | K223-S225 PolarHBondContact O-N 3.05Š| ||
| 224 | K | 31.9 | Very low | 36.7 | Very low | 210 Ų | 210 | 148.8 Ų | 148.8 | 91% | 0.913 | 81% | 0.805 | S | S | * | * | trans | -66.7 | 101 | 163.6 | -87.7 | -174.7 | 178.1 | 173 | 0 | 108.2 | G222 K226 | G222-K224 PolarHBondContact O-N 3.3Å; K224-K226 PolarHBondContact O-N 3.17Å; K224-K226 VanDerWaalsContact O-N 3.14Å | ||
| 225 | S | 36.6 | Very low | 36 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -62.5 | 108.3 | 169.5 | 42.7 | 0 | 0 | 0 | 0 | 109.7 | K223 K227 | K223-S225 PolarHBondContact O-N 3.05Å; S225-K227 PolarHBondContact O-N 3.4Å | ||
| 226 | K | 33.2 | Very low | 34.8 | Very low | 209 Ų | 209 | 145.5 Ų | 145.5 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -70.7 | 100.7 | 174.5 | -154 | 174 | -173 | 173.2 | 0 | 108.5 | K224 K228 | K224-K226 PolarHBondContact O-N 3.17Å; K224-K226 VanDerWaalsContact O-N 3.14Å; K226-K228 PolarHBondContact O-N 3.42Å | ||
| 227 | K | 30.1 | Very low | 34.1 | Very low | 189 Ų | 189 | 148.8 Ų | 148.8 | 82% | 0.822 | 83% | 0.827 | S | S | * | * | trans | -59.5 | 102.7 | 174.1 | -174.8 | 172.7 | -177.1 | 170.4 | 0 | 110.3 | S225 R229 | S225-K227 PolarHBondContact O-N 3.4Å; K227-R229 PolarHBondContact O-N 2.91Å | ||
| 228 | K | 31.7 | Very low | 33.3 | Very low | 205 Ų | 205 | 143.8 Ų | 143.8 | 89% | 0.891 | 82% | 0.817 | S | S | * | * | trans | -75.1 | 105.5 | 171.6 | -157.9 | 176.9 | -174.3 | 179.8 | 0 | 108.2 | K226 G230 | K226-K228 PolarHBondContact O-N 3.42Å; K228-G230 PolarHBondContact O-N 2.95Å | ||
| 229 | R | 31.6 | Very low | 32.5 | Very low | 230 Ų | 230 | 146.3 Ų | 146.3 | 87% | 0.868 | 83% | 0.831 | S | S | * | * | trans | -69.4 | 125.8 | 169.9 | -74.6 | -178.6 | 103.6 | -160.8 | 6.8 | 108.6 | K227 | K227-R229 PolarHBondContact O-N 2.91Š| ||
| 230 | G | 32.3 | Very low | 31.9 | Very low | 78 Ų | 78 | 150.1 Ų | 150.1 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | -68.6 | 148.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K228 | K228-G230 PolarHBondContact O-N 2.95Š| ||
| 231 | R | 30.9 | Very low | 31.3 | Very low | 251 Ų | 251 | 150.9 Ų | 150.9 | 95% | 0.947 | 83% | 0.832 | S | S | * | * | trans | -137.8 | 111.9 | 160.8 | -176.6 | 160.5 | 163.3 | 159.4 | -7.6 | 107.2 | ||||
| 232 | V | 34.5 | Very low | 31 | Very low | 137 Ų | 137 | 157 Ų | 157 | 83% | 0.83 | 83% | 0.827 | S | S | * | * | trans | -103.2 | 129.5 | 172.6 | 172.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 233 | K | 31.1 | Very low | 30.9 | Very low | 208 Ų | 208 | 163.9 Ų | 163.9 | 90% | 0.904 | 84% | 0.839 | S | S | * | * | trans | 158.8 | 131.4 | 142.4 | -102.2 | -178 | 169.4 | 177.2 | 0 | 106.9 | ||||
| 234 | G | 26.9 | Very low | 30.6 | Very low | 62 Ų | 62 | 161.2 Ų | 161.2 | 64% | 0.639 | 83% | 0.83 | S | S | * | * | cis | 163.9 | 154.3 | 3.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 235 | S | 26.1 | Very low | 30.6 | Very low | 123 Ų | 123 | 158.5 Ų | 158.5 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | 58.7 | 143.6 | 162.6 | 62.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 236 | S | 25.3 | Very low | 30.2 | Very low | 105 Ų | 105 | 156.8 Ų | 156.8 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | cis | -179.3 | 156 | 4.9 | 43.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 237 | S | 26.7 | Very low | 29.9 | Very low | 129 Ų | 129 | 152 Ų | 152 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | 68.9 | 135.1 | 151.9 | -164.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 238 | G | 25.4 | Very low | 29.9 | Very low | 63 Ų | 63 | 149.8 Ų | 149.8 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | cis | 163.4 | 158.1 | 7.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 239 | S | 28.4 | Very low | 29.8 | Very low | 116 Ų | 116 | 148.9 Ų | 148.9 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | 84.5 | 119.1 | 160.7 | -72 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 240 | K | 30.1 | Very low | 29.5 | Very low | 193 Ų | 193 | 141.6 Ų | 141.6 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | 41.1 | 132.2 | 126 | -80.9 | 170.6 | 168.6 | 173.3 | 0 | 117.2 | |||||
| 241 | Q | 30.5 | Very low | 29.2 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | -178.1 | 155.7 | 61.5 | -161.9 | 163 | -24.6 | 0 | 0 | 111.9 | |||||
| 242 | R | 39.1 | Very low | 29.2 | Very low | 218 Ų | 218 | 137.5 Ų | 137.5 | 82% | 0.823 | 79% | 0.792 | S | S | * | * | trans | -60.6 | 140 | 172 | 176.2 | -172.8 | -172.4 | -152.2 | 1.4 | 114.3 | ||||
| 243 | K | 31.6 | Very low | 29 | Very low | 207 Ų | 207 | 136.7 Ų | 136.7 | 90% | 0.9 | 79% | 0.793 | S | S | * | * | trans | -169.2 | 156.9 | 135.5 | -121.5 | 179.7 | 176.5 | -175.3 | 0 | 115 | ||||
| 244 | E | 29.9 | Very low | 29.2 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | -73.2 | 157.9 | -166.7 | -107.9 | 170.1 | 82.8 | 0 | 0 | 118.2 | ||||
| 245 | L | 30.9 | Very low | 29.3 | Very low | 154 Ų | 154 | 138.5 Ų | 138.5 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | 42.2 | 135.2 | 134.9 | -100.7 | 95.4 | 0 | 0 | 0 | 123.6 | ||||
| 246 | A | 27.9 | Very low | 29.7 | Very low | 79 Ų | 79 | 141.2 Ų | 141.2 | 65% | 0.653 | 80% | 0.798 | S | S | * | * | 112.9 | 123.3 | 126.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 247 | S | 27.6 | Very low | 30 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | 69.2 | 151.3 | 141.4 | -58.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 248 | L | 30.1 | Very low | 30.4 | Very low | 144 Ų | 144 | 146 Ų | 146 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | cis | -174.4 | 157.4 | -10.6 | -106.8 | 171.3 | 0 | 0 | 0 | 103.9 | ||||
| 249 | E | 28.6 | Very low | 30.6 | Very low | 185 Ų | 185 | 146.7 Ų | 146.7 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | 84.8 | 127.6 | 153.7 | -69.6 | 174.5 | 132.5 | 0 | 0 | 123.2 | ||||
| 250 | G | 26.2 | Very low | 31.1 | Very low | 78 Ų | 78 | 146.4 Ų | 146.4 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 83.6 | 140.4 | 142.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 251 | D | 26.7 | Very low | 31.6 | Very low | 161 Ų | 161 | 146.5 Ų | 146.5 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | cis | -174.1 | 166.8 | 0 | -171.8 | -111.9 | 0 | 0 | 0 | 106.6 | ||||
| 252 | A | 29.6 | Very low | 31.8 | Very low | 82 Ų | 82 | 147.2 Ų | 147.2 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | 78 | 94 | 158.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 253 | S | 29.9 | Very low | 31.9 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -85.5 | 143.1 | 139.2 | -72.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 254 | P | 35.3 | Very low | 32.5 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | trans | -107 | 122.8 | 147.5 | 12.7 | 6.3 | 0 | 0 | 0 | 109.9 | ||||
| 255 | E | 30.3 | Very low | 32.9 | Very low | 183 Ų | 183 | 135.6 Ų | 135.6 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -70.7 | 177.5 | 152.1 | -61.5 | -176.8 | 111.9 | 0 | 0 | 109.6 | ||||
| 256 | E | 32.9 | Very low | 33.6 | Very low | 180 Ų | 180 | 136 Ų | 136 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | trans | 99.9 | 126.5 | 177.4 | -61.5 | -172.8 | 179.3 | 0 | 0 | 114 | ||||
| 257 | E | 32.8 | Very low | 34.5 | Very low | 171 Ų | 171 | 137.9 Ų | 137.9 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | cis | -156.4 | 157 | 20.7 | -96.8 | -123.8 | 135.5 | 0 | 0 | 112.9 | ||||
| 258 | E | 34.6 | Very low | 35.1 | Very low | 163 Ų | 163 | 141.9 Ų | 141.9 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | -57.2 | 149.3 | 164.1 | -78.9 | -151.8 | 135.5 | 0 | 0 | 113.7 | ||||
| 259 | G | 30.3 | Very low | 36.2 | Very low | 77 Ų | 77 | 140.3 Ų | 140.3 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -133.4 | 70 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q261 | G259-Q261 PolarHBondContact O-N 3.45Š| ||
| 260 | V | 39.1 | Very low | 37.3 | Very low | 111 Ų | 111 | 137 Ų | 137 | 67% | 0.673 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 117.6 | 168.3 | 173.5 | 0 | 0 | 0 | 0 | 109 | ||
| 261 | Q | 40.1 | Very low | 38.6 | Very low | 195 Ų | 195 | 139.4 Ų | 139.4 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 121.9 | 168.5 | -72 | -169.7 | -5.3 | 0 | 0 | 111.1 | G259 | G259-Q261 PolarHBondContact O-N 3.45Š|
| 262 | K | 35.3 | Very low | 39.7 | Very low | 199 Ų | 199 | 139.7 Ų | 139.7 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 124.3 | -173.3 | -156.5 | 172.2 | -173.1 | 173.8 | 0 | 113 | ||
| 263 | A | 40.5 | Very low | 40.7 | Very low | 95 Ų | 95 | 144.4 Ų | 144.4 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 136.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 264 | S | 44.6 | Very low | 41.4 | Very low | 112 Ų | 112 | 150.6 Ų | 150.6 | 78% | 0.783 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 142.7 | 169 | -63.6 | 0 | 0 | 0 | 0 | 110.6 | ||
| 265 | P | 38.8 | Very low | 41.7 | Very low | 125 Ų | 125 | 151.9 Ų | 151.9 | 81% | 0.812 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 133.4 | 179.8 | -5 | 22.6 | 0 | 0 | 0 | 111.4 | ||
| 266 | L | 44.7 | Very low | 42.3 | Very low | 163 Ų | 163 | 150.2 Ų | 150.2 | 85% | 0.853 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 138.2 | 166.9 | -72.5 | 169 | 0 | 0 | 0 | 110.1 | ||
| 267 | P | 47.8 | Very low | 42.8 | Very low | 118 Ų | 118 | 148.6 Ų | 148.6 | 77% | 0.766 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 139.5 | 176.5 | 30.6 | -31.9 | 0 | 0 | 0 | 111.9 | ||
| 268 | H | 38.3 | Very low | 43.4 | Very low | 192 Ų | 192 | 147.2 Ų | 147.2 | 89% | 0.889 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 137 | 170.3 | -73.5 | -84.9 | 0 | 0 | 0 | 111.2 | ||
| 269 | S | 53.5 | Low | 44 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 78% | 0.776 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 142.8 | 162.8 | -57.9 | 0 | 0 | 0 | 0 | 110 | ||
| 270 | P | 52.6 | Low | 44.9 | Very low | 116 Ų | 116 | 150.9 Ų | 150.9 | 75% | 0.753 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 157.6 | 178.6 | 32.2 | -33.2 | 0 | 0 | 0 | 111.8 | ||
| 271 | P | 53 | Low | 45.3 | Very low | 128 Ų | 128 | 153.7 Ų | 153.7 | 83% | 0.831 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 127.6 | 173.4 | 30.7 | -30.5 | 0 | 0 | 0 | 110.6 | ||
| 272 | D | 50.8 | Low | 45.7 | Very low | 167 Ų | 167 | 150.5 Ų | 150.5 | 89% | 0.893 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 132.4 | 166.3 | -102.7 | -49.2 | 0 | 0 | 0 | 110 | ||
| 273 | E | 48.9 | Very low | 46.6 | Very low | 182 Ų | 182 | 146.5 Ų | 146.5 | 85% | 0.85 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 132.3 | 164.6 | -65.7 | -162.9 | 107.4 | 0 | 0 | 110.4 | ||
| 274 | L | 45.3 | Very low | 47.1 | Very low | 249 Ų | 249 | 151.2 Ų | 151.2 | 100% | 1.304 | 87% | 0.865 | S | S | * | * | trans | 180 | 0 | 138.6 | -100.6 | 151.7 | 0 | 0 | 0 | 111.4 |
Retrieved 274 of 274 residues in 211 ms
(Link to these results)