| 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 | 57.7 | Low | 60.1 | Low | 227 Ų | 227 | 121.5 Ų | 121.5 | 100% | 1.118 | 66% | 0.656 | S | S | * | * | 0 | -7.4 | 0 | -67.1 | -60.1 | -164.6 | 0 | 0 | 115 | |||||
| 2 | H | 54.1 | Low | 60.5 | Low | 172 Ų | 172 | 124.8 Ų | 124.8 | 80% | 0.796 | 65% | 0.654 | S | S | * | * | trans | -102.6 | -5 | 176.5 | -87.8 | -71.1 | 0 | 0 | 0 | 116.2 | I6 | H2-I6 WeakPolarHBondContact O-CD1 3.2Š| ||
| 3 | L | 55.6 | Low | 60.2 | Low | 152 Ų | 152 | 121.8 Ų | 121.8 | 80% | 0.796 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -94.4 | -22 | -178.6 | -76.1 | 159.1 | 0 | 0 | 0 | 114.1 | ||
| 4 | L | 55.8 | Low | 60 | Low | 134 Ų | 134 | 121.6 Ų | 121.6 | 70% | 0.702 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -76.7 | -30.6 | 178.9 | -115.7 | 143.7 | 0 | 0 | 0 | 112.7 | ||
| 5 | G | 58.9 | Low | 59.7 | Low | 45 Ų | 45 | 126.9 Ų | 126.9 | 46% | 0.464 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -72.6 | -30.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F9 | G5-F9 PolarHBondContact O-N 2.74Å |
| 6 | I | 63.8 | Low | 59.4 | Low | 102 Ų | 102 | 122.9 Ų | 122.9 | 52% | 0.523 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -76.3 | -34 | 179.5 | -58.2 | 171.6 | 0 | 0 | 0 | 110.5 | H2 L8 F9 L10 | H2-I6 WeakPolarHBondContact O-CD1 3.2Å; I6-L8 PolarHBondContact O-N 3.29Å; I6-F9 PolarHBondContact O-N 2.96Å; I6-L10 HydrophobicContact CG2-CD1 4.03Å; I6-L10 WeakPolarHBondContact O-CG 3.49Å; I6-L10 PolarHBondContact O-N 3.03Å; I6-L10 VanDerWaalsContact O-N 3.12Å |
| 7 | S | 60.7 | Low | 58.8 | Low | 79 Ų | 79 | 122.5 Ų | 122.5 | 55% | 0.552 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.4 | -35.7 | 177.1 | -170 | 0 | 0 | 0 | 0 | 113.1 | A11 | S7-A11 WeakPolarHBondContact O-CB 3.28Å; S7-A11 PolarHBondContact O-N 2.83Å |
| 8 | L | 62.4 | Low | 58.3 | Low | 123 Ų | 123 | 124.3 Ų | 124.3 | 64% | 0.644 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -74.5 | -34.2 | 177.8 | -77.7 | 163.8 | 0 | 0 | 0 | 112.2 | I6 Y12 | I6-L8 PolarHBondContact O-N 3.29Å; L8-Y12 PolarHBondContact O-N 2.86Å; L8-Y12 VanDerWaalsContact O-N 3.12Å |
| 9 | F | 63.9 | Low | 57.5 | Low | 148 Ų | 148 | 122.6 Ų | 122.6 | 65% | 0.649 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -70.2 | -38.2 | 177.3 | -123.3 | -90 | 0 | 0 | 0 | 112.6 | G5 I6 L13 | G5-F9 PolarHBondContact O-N 2.74Å; I6-F9 PolarHBondContact O-N 2.96Å; F9-L13 HydrophobicContact CD1-CD1 4.48Å; F9-L13 WeakPolarHBondContact O-CG 3.49Å; F9-L13 PolarHBondContact O-N 2.86Å |
| 10 | L | 63.9 | Low | 56.8 | Low | 102 Ų | 102 | 120.7 Ų | 120.7 | 53% | 0.534 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -71.7 | -35.3 | 175.9 | -71.6 | 169.6 | 0 | 0 | 0 | 112.4 | I6 L13 L14 | I6-L10 HydrophobicContact CG2-CD1 4.03Å; I6-L10 WeakPolarHBondContact O-CG 3.49Å; I6-L10 PolarHBondContact O-N 3.03Å; I6-L10 VanDerWaalsContact O-N 3.12Å; L10-L13 PolarHBondContact O-N 3.3Å; L10-L14 WeakPolarHBondContact O-CB 3.41Å; L10-L14 WeakPolarHBondContact O-CG 3.31Å; L10-L14 PolarHBondContact O-N 3.4Å |
| 11 | A | 64.6 | Low | 55.7 | Low | 53 Ų | 53 | 122.1 Ų | 122.1 | 44% | 0.438 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -66.2 | -39 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S7 L14 Y15 | S7-A11 WeakPolarHBondContact O-CB 3.28Å; S7-A11 PolarHBondContact O-N 2.83Å; A11-L14 PolarHBondContact O-N 2.83Å; A11-Y15 PolarHBondContact O-N 2.82Å |
| 12 | Y | 64.4 | Low | 54.3 | Low | 160 Ų | 160 | 120 Ų | 120 | 63% | 0.627 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.3 | -43.8 | 175.6 | -176.1 | -101 | 0 | 0 | 0 | 111.9 | L8 L14 Y15 T16 | L8-Y12 PolarHBondContact O-N 2.86Å; L8-Y12 VanDerWaalsContact O-N 3.12Å; Y12-L14 VanDerWaalsContact C-N 3.34Å; Y12-L14 PolarHBondContact O-N 3.06Å; Y12-Y15 PolarHBondContact O-N 2.93Å; Y12-T16 HydrophobicContact CD1-CG2 4.47Å; Y12-T16 HydrophobicContact CE1-CG2 4.13Å; Y12-T16 HydrophobicContact CE2-CG2 4.46Å; Y12-T16 WeakPolarHBondContact O-CG2 3.48Å; Y12-T16 PolarHBondContact O-N 3.46Å; Y12-T16 VanDerWaalsContact O-N 3.07Å; Y12-T16 PolarHBondContact O-OG1 2.92Å |
| 13 | L | 56.5 | Low | 53.2 | Low | 87 Ų | 87 | 116.1 Ų | 116.1 | 46% | 0.455 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -69 | -29.7 | 178.4 | -72.9 | 168.6 | 0 | 0 | 0 | 113.4 | F9 L10 T16 N17 | F9-L13 HydrophobicContact CD1-CD1 4.48Å; F9-L13 WeakPolarHBondContact O-CG 3.49Å; F9-L13 PolarHBondContact O-N 2.86Å; L10-L13 PolarHBondContact O-N 3.3Å; L13-T16 PolarHBondContact O-OG1 2.93Å; L13-N17 PolarHBondContact O-N 3.4Å; L13-N17 PolarHBondContact O-ND2 3.5Å |
| 14 | L | 57.9 | Low | 52.2 | Low | 119 Ų | 119 | 116.5 Ų | 116.5 | 62% | 0.623 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -74.3 | -33.9 | 173 | -75 | 166.7 | 0 | 0 | 0 | 112.2 | L10 A11 Y12 L18 | L10-L14 WeakPolarHBondContact O-CB 3.41Å; L10-L14 WeakPolarHBondContact O-CG 3.31Å; L10-L14 PolarHBondContact O-N 3.4Å; A11-L14 PolarHBondContact O-N 2.83Å; Y12-L14 VanDerWaalsContact C-N 3.34Å; Y12-L14 PolarHBondContact O-N 3.06Å; L14-L18 PolarHBondContact O-N 2.92Å |
| 15 | Y | 55.2 | Low | 51.1 | Low | 200 Ų | 200 | 120.9 Ų | 120.9 | 78% | 0.784 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -73.4 | -32.7 | 177.2 | -133.7 | -90 | 0 | 0 | 0 | 112.7 | A11 Y12 | A11-Y15 PolarHBondContact O-N 2.82Å; Y12-Y15 PolarHBondContact O-N 2.93Å |
| 16 | T | 55.4 | Low | 50 | Low | 64 Ų | 64 | 123.9 Ų | 123.9 | 39% | 0.393 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -78.8 | -20.7 | 178.1 | 56 | 0 | 0 | 0 | 0 | 113.7 | Y12 L13 | Y12-T16 HydrophobicContact CD1-CG2 4.47Å; Y12-T16 HydrophobicContact CE1-CG2 4.13Å; Y12-T16 HydrophobicContact CE2-CG2 4.46Å; Y12-T16 WeakPolarHBondContact O-CG2 3.48Å; Y12-T16 PolarHBondContact O-N 3.46Å; Y12-T16 VanDerWaalsContact O-N 3.07Å; Y12-T16 PolarHBondContact O-OG1 2.92Å; L13-T16 PolarHBondContact O-OG1 2.93Å |
| 17 | N | 48.4 | Very low | 48.7 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 62% | 0.62 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -93.9 | -10.8 | 177.6 | -79.9 | -76.2 | 0 | 0 | 0 | 114 | L13 | L13-N17 PolarHBondContact O-N 3.4Å; L13-N17 PolarHBondContact O-ND2 3.5Å |
| 18 | L | 49.5 | Very low | 47.4 | Very low | 154 Ų | 154 | 133.4 Ų | 133.4 | 81% | 0.806 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -86.5 | -9.5 | 176.7 | -126 | 90.8 | 0 | 0 | 0 | 113.9 | L14 | L14-L18 PolarHBondContact O-N 2.92Š|
| 19 | A | 43.9 | Very low | 46.1 | Very low | 92 Ų | 92 | 133.8 Ų | 133.8 | 76% | 0.76 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -92.6 | 3.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 20 | S | 43.3 | Very low | 44.9 | Very low | 84 Ų | 84 | 134.1 Ų | 134.1 | 59% | 0.587 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -143.3 | 61 | -174.3 | 60.6 | 0 | 0 | 0 | 0 | 112 | ||
| 21 | D | 34.2 | Very low | 43.6 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 81% | 0.807 | 69% | 0.693 | S | S | * | * | trans | -166 | 144.7 | 140.5 | -127.9 | -28.3 | 0 | 0 | 0 | 113 | ||||
| 22 | F | 28.4 | Very low | 42.3 | Very low | 184 Ų | 184 | 142.7 Ų | 142.7 | 81% | 0.807 | 71% | 0.711 | S | S | * | * | trans | 87.6 | 88.7 | 161.8 | -112.6 | -104.3 | 0 | 0 | 0 | 121.9 | ||||
| 23 | S | 30.6 | Very low | 40.8 | Very low | 90 Ų | 90 | 143.3 Ų | 143.3 | 63% | 0.629 | 72% | 0.72 | S | S | * | * | 92.3 | 103.2 | 113.5 | -159.8 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 24 | H | 34.9 | Very low | 39.8 | Very low | 159 Ų | 159 | 148.2 Ų | 148.2 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | 54.3 | 114.2 | 114.6 | -142.6 | -23.1 | 0 | 0 | 0 | 118.4 | |||||
| 25 | R | 31.7 | Very low | 38.6 | Very low | 226 Ų | 226 | 150.3 Ų | 150.3 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | trans | -176.4 | 117.9 | 131.5 | -101.3 | 171.5 | 95.7 | 120.3 | 9.7 | 113.4 | ||||
| 26 | D | 35.6 | Very low | 37.6 | Very low | 109 Ų | 109 | 146.3 Ų | 146.3 | 58% | 0.583 | 75% | 0.746 | S | S | * | * | trans | 27.6 | 119.1 | 146 | -58 | -21.5 | 0 | 0 | 0 | 120.8 | ||||
| 27 | Y | 36.3 | Very low | 36.5 | Very low | 239 Ų | 239 | 151.7 Ų | 151.7 | 94% | 0.937 | 77% | 0.768 | S | S | * | * | -156.6 | 106.2 | 124.4 | -110.8 | -79.9 | 0 | 0 | 0 | 109 | |||||
| 28 | D | 35.1 | Very low | 35.9 | Very low | 141 Ų | 141 | 153.9 Ų | 153.9 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | -61 | 141.4 | 164.1 | -72.2 | -68.6 | 0 | 0 | 0 | 110.7 | ||||
| 29 | D | 33.3 | Very low | 35.1 | Very low | 131 Ų | 131 | 155 Ų | 155 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | -177.6 | 142.6 | 91.9 | -132.9 | -32.6 | 0 | 0 | 0 | 114.4 | |||||
| 30 | E | 40 | Very low | 34.9 | Very low | 155 Ų | 155 | 155.8 Ų | 155.8 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | trans | 45.8 | 101.6 | 150.5 | -94.7 | 170.6 | 124.1 | 0 | 0 | 122 | ||||
| 31 | Y | 36 | Very low | 34.6 | Very low | 236 Ų | 236 | 159.8 Ų | 159.8 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | -160 | 106 | 119 | -98.8 | -76.5 | 0 | 0 | 0 | 108.3 | E33 | Y31-E33 PolarHBondContact O-N 3.03Š| |||
| 32 | A | 36.6 | Very low | 34.9 | Very low | 100 Ų | 100 | 159 Ų | 159 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -75.6 | 100.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 33 | E | 33.7 | Very low | 35.9 | Very low | 173 Ų | 173 | 156.6 Ų | 156.6 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | trans | -98.8 | 115.5 | 154.3 | -71.1 | -153.8 | 118.5 | 0 | 0 | 108.6 | Y31 E35 | Y31-E33 PolarHBondContact O-N 3.03Å; E33-E35 VanDerWaalsContact C-N 3.32Å; E33-E35 PolarHBondContact O-N 2.88Å | ||
| 34 | Q | 36.3 | Very low | 36.8 | Very low | 190 Ų | 190 | 155.6 Ų | 155.6 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | -83 | 79.9 | -174.3 | -159 | 143.9 | 7.2 | 0 | 0 | 108.6 | P36 | Q34-P36 WeakPolarHBondContact O-CD 3.38Š| ||
| 35 | E | 32.3 | Very low | 37.6 | Very low | 163 Ų | 163 | 155.7 Ų | 155.7 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | -60.7 | 119.7 | 168.1 | -70.8 | -77.4 | 123.8 | 0 | 0 | 108.8 | E33 M37 | E33-E35 VanDerWaalsContact C-N 3.32Å; E33-E35 PolarHBondContact O-N 2.88Å; E35-M37 PolarHBondContact O-N 2.77Å | ||
| 36 | P | 34 | Very low | 39 | Very low | 116 Ų | 116 | 150.2 Ų | 150.2 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | -72.7 | 104.2 | 170.2 | 2.3 | 13.7 | 0 | 0 | 0 | 108 | Q34 D38 | Q34-P36 WeakPolarHBondContact O-CD 3.38Å; P36-D38 PolarHBondContact O-N 3.04Å | ||
| 37 | M | 32 | Very low | 41.1 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | trans | -18.4 | 111.4 | 160.8 | -168.8 | -179.9 | 67.8 | 0 | 0 | 113.3 | E35 E39 | E35-M37 PolarHBondContact O-N 2.77Å; M37-E39 PolarHBondContact O-N 3.44Å; M37-E39 VanDerWaalsContact O-N 3.1Å | ||
| 38 | D | 36.3 | Very low | 43.4 | Very low | 163 Ų | 163 | 142.8 Ų | 142.8 | 87% | 0.872 | 75% | 0.747 | S | S | * | * | trans | -48.1 | 113.5 | 173.9 | -84.7 | -44.5 | 0 | 0 | 0 | 111.1 | P36 | P36-D38 PolarHBondContact O-N 3.04Š| ||
| 39 | E | 32.8 | Very low | 45.9 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 83% | 0.827 | 73% | 0.725 | S | S | * | * | trans | -70.3 | 138.7 | 165.9 | -141.1 | -174.5 | 120.2 | 0 | 0 | 107.7 | M37 D41 | M37-E39 PolarHBondContact O-N 3.44Å; M37-E39 VanDerWaalsContact O-N 3.1Å; E39-D41 PolarHBondContact O-N 3.2Å | ||
| 40 | P | 39.3 | Very low | 48.5 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 71% | 0.708 | 72% | 0.715 | S | S | * | * | trans | -67.4 | 129.7 | -169.8 | 24.9 | -24 | 0 | 0 | 0 | 109.9 | T42 | P40-T42 PolarHBondContact O-N 3.12Š| ||
| 41 | D | 37.9 | Very low | 50.8 | Low | 168 Ų | 168 | 134.4 Ų | 134.4 | 90% | 0.898 | 70% | 0.698 | S | S | * | * | trans | -34.7 | 104.8 | 171.4 | -88.8 | -42 | 0 | 0 | 0 | 110.8 | E39 L43 | E39-D41 PolarHBondContact O-N 3.2Å; D41-L43 PolarHBondContact O-N 3.12Å | ||
| 42 | T | 39.4 | Very low | 53.4 | Low | 133 Ų | 133 | 126.7 Ų | 126.7 | 82% | 0.816 | 67% | 0.672 | S | S | * | * | trans | -71.5 | 92.9 | 168.8 | 23.1 | 0 | 0 | 0 | 0 | 106.5 | P40 | P40-T42 PolarHBondContact O-N 3.12Š| ||
| 43 | L | 49.2 | Very low | 55.9 | Low | 135 Ų | 135 | 127.9 Ų | 127.9 | 71% | 0.707 | 66% | 0.655 | S | S | * | * | trans | -34.9 | 126.1 | 161 | -171.4 | 75.9 | 0 | 0 | 0 | 107.9 | D41 K45 | D41-L43 PolarHBondContact O-N 3.12Å; L43-K45 PolarHBondContact O-N 3.19Å | ||
| 44 | P | 50.4 | Low | 58.5 | Low | 68 Ų | 68 | 121.5 Ų | 121.5 | 44% | 0.442 | 63% | 0.63 | S | S | . | * | trans | -50.8 | 122.4 | 179.3 | 18.2 | -29.4 | 0 | 0 | 0 | 107.1 | M48 E49 | P44-M48 HydrophobicContact CB-CB 4.46Å; P44-E49 HydrophobicContact CG-CB 4.36Å | ||
| 45 | K | 52.1 | Low | 61.2 | Low | 161 Ų | 161 | 112.6 Ų | 112.6 | 70% | 0.7 | 59% | 0.588 | S | S | * | * | trans | -40.8 | 132 | 180 | -70.5 | 176.7 | 179 | 171.4 | 0 | 107.2 | L43 D47 M48 | L43-K45 PolarHBondContact O-N 3.19Å; K45-D47 CarbonylContact O-C 3.59Å; K45-D47 PolarHBondContact O-N 3.39Å; K45-M48 HydrophobicContact CB-CG 4.28Å; K45-M48 PolarHBondContact O-N 3.42Å | ||
| 46 | P | 60.3 | Low | 64 | Low | 111 Ų | 111 | 107.8 Ų | 107.8 | 72% | 0.721 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -52.9 | -22.7 | -166.3 | 17 | -31.7 | 0 | 0 | 0 | 114.2 | Q50 | P46-Q50 WeakPolarHBondContact O-CB 3.47Å; P46-Q50 PolarHBondContact O-N 3Å |
| 47 | D | 79.1 | Confident | 66.7 | Low | 91 Ų | 91 | 104.2 Ų | 104.2 | 49% | 0.487 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.2 | -37.1 | 172.9 | -174.8 | 44 | 0 | 0 | 0 | 114.6 | K45 K51 | K45-D47 CarbonylContact O-C 3.59Å; K45-D47 PolarHBondContact O-N 3.39Å; D47-K51 WeakPolarHBondContact O-CD 3.43Å; D47-K51 VanDerWaalsContact O-CG 3.25Å; D47-K51 WeakPolarHBondContact O-CG 3.43Å; D47-K51 PolarHBondContact O-N 2.86Å; D47-K51 VanDerWaalsContact O-N 3.11Å; D47-K51 WeakPolarHBondContact OD1-CE 3.09Å; D47-K51 IonicContact OD1-NZ 2.7Å; D47-K51 WeakPolarHBondContact OD2-CE 3.23Å; D47-K51 IonicContact OD2-NZ 2.67Å; D47-K51 PolarHBondContact OD2-NZ 3.4Å |
| 48 | M | 85 | Confident | 69.5 | Low | 101 Ų | 101 | 96.1 Ų | 96.1 | 50% | 0.498 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -74.4 | -45.1 | -177.8 | -55.7 | -67.6 | -72.3 | 0 | 0 | 111.5 | P44 K45 Q50 K51 L52 | P44-M48 HydrophobicContact CB-CB 4.46Å; K45-M48 HydrophobicContact CB-CG 4.28Å; K45-M48 PolarHBondContact O-N 3.42Å; M48-Q50 VanDerWaalsContact C-N 3.31Å; M48-Q50 PolarHBondContact O-N 2.87Å; M48-K51 WeakPolarHBondContact O-CB 3.43Å; M48-K51 PolarHBondContact O-N 2.91Å; M48-L52 WeakPolarHBondContact O-CG 3.05Å; M48-L52 PolarHBondContact O-N 3.4Å |
| 49 | E | 87 | Confident | 72.1 | Confident | 64 Ų | 64 | 91.7 Ų | 91.7 | 30% | 0.299 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.3 | -45 | 175.8 | -174.2 | -174.6 | 164 | 0 | 0 | 110.6 | P44 K51 L52 R53 | P44-E49 HydrophobicContact CG-CB 4.36Å; E49-K51 VanDerWaalsContact C-N 3.31Å; E49-K51 PolarHBondContact O-N 3.13Å; E49-L52 PolarHBondContact O-N 3.07Å; E49-R53 WeakPolarHBondContact O-CG 3.33Å; E49-R53 PolarHBondContact O-N 2.77Å; E49-R53 IonicContact OE1-CZ 2.71Å; E49-R53 VanDerWaalsContact OE1-CZ 3.24Å; E49-R53 IonicContact OE1-NE 3.24Å; E49-R53 PolarHBondContact OE1-NE 2.81Å; E49-R53 IonicContact OE1-NH2 2.93Å; E49-R53 PolarHBondContact OE1-NH2 3.27Å |
| 50 | Q | 88.1 | Confident | 74.9 | Confident | 104 Ų | 104 | 86.6 Ų | 86.6 | 49% | 0.486 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 176.9 | -173.8 | 63.6 | 20.2 | 0 | 0 | 111.8 | P46 M48 R53 S54 | P46-Q50 WeakPolarHBondContact O-CB 3.47Å; P46-Q50 PolarHBondContact O-N 3Å; M48-Q50 VanDerWaalsContact C-N 3.31Å; M48-Q50 PolarHBondContact O-N 2.87Å; Q50-R53 PolarHBondContact O-N 2.87Å; Q50-S54 VanDerWaalsContact O-CB 3.26Å; Q50-S54 WeakPolarHBondContact O-CB 3.15Å; Q50-S54 PolarHBondContact O-N 3.14Å; Q50-S54 PolarHBondContact O-OG 3.42Å |
| 51 | K | 89.8 | Confident | 77.3 | Confident | 84 Ų | 84 | 83.5 Ų | 83.5 | 37% | 0.365 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 175.8 | -77.6 | 166 | 179.9 | 165.5 | 0 | 111.8 | D47 M48 E49 S54 A55 L64 | D47-K51 WeakPolarHBondContact O-CD 3.43Å; D47-K51 VanDerWaalsContact O-CG 3.25Å; D47-K51 WeakPolarHBondContact O-CG 3.43Å; D47-K51 PolarHBondContact O-N 2.86Å; D47-K51 VanDerWaalsContact O-N 3.11Å; D47-K51 WeakPolarHBondContact OD1-CE 3.09Å; D47-K51 IonicContact OD1-NZ 2.7Å; D47-K51 WeakPolarHBondContact OD2-CE 3.23Å; D47-K51 IonicContact OD2-NZ 2.67Å; D47-K51 PolarHBondContact OD2-NZ 3.4Å; M48-K51 WeakPolarHBondContact O-CB 3.43Å; M48-K51 PolarHBondContact O-N 2.91Å; E49-K51 VanDerWaalsContact C-N 3.31Å; E49-K51 PolarHBondContact O-N 3.13Å; K51-S54 WeakPolarHBondContact CA-OG 3.44Å; K51-S54 PolarHBondContact O-N 3.4Å; K51-S54 VanDerWaalsContact O-N 3.16Å; K51-S54 PolarHBondContact O-OG 3.46Å; K51-A55 PolarHBondContact O-N 2.84Å; K51-L64 HydrophobicContact CB-CD1 4.2Å; K51-L64 HydrophobicContact CB-CD2 4.31Å |
| 52 | L | 90.5 | Very high | 79.8 | Confident | 74 Ų | 74 | 76 Ų | 76 | 39% | 0.387 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 177.3 | -68.8 | 172.2 | 0 | 0 | 0 | 112.1 | M48 E49 S54 A55 L61 L64 I65 | M48-L52 WeakPolarHBondContact O-CG 3.05Å; M48-L52 PolarHBondContact O-N 3.4Å; E49-L52 PolarHBondContact O-N 3.07Å; L52-S54 VanDerWaalsContact C-N 3.27Å; L52-S54 PolarHBondContact O-N 2.54Å; L52-A55 WeakPolarHBondContact O-CB 3.45Å; L52-A55 PolarHBondContact O-N 3.42Å; L52-L61 HydrophobicContact CD2-CD1 3.99Å; L52-L64 HydrophobicContact CD2-CB 4.04Å; L52-L64 HydrophobicContact CD2-CD1 4.34Å; L52-I65 HydrophobicContact CD2-CD1 4.03Å; L52-I65 HydrophobicContact CD2-CG1 3.57Å |
| 53 | R | 88.1 | Confident | 82.1 | Confident | 125 Ų | 125 | 71.8 Ų | 71.8 | 47% | 0.472 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.5 | -31.1 | 174.6 | -70.9 | 179.7 | -179 | -107.2 | 5 | 112.5 | E49 Q50 P167 E169 | E49-R53 WeakPolarHBondContact O-CG 3.33Å; E49-R53 PolarHBondContact O-N 2.77Å; E49-R53 IonicContact OE1-CZ 2.71Å; E49-R53 VanDerWaalsContact OE1-CZ 3.24Å; E49-R53 IonicContact OE1-NE 3.24Å; E49-R53 PolarHBondContact OE1-NE 2.81Å; E49-R53 IonicContact OE1-NH2 2.93Å; E49-R53 PolarHBondContact OE1-NH2 3.27Å; Q50-R53 PolarHBondContact O-N 2.87Å; R53-P167 CarbonylContact O-C 3.53Å; R53-E169 IonicContact NH1-OE1 3.24Å; R53-E169 PolarHBondContact NH1-OE1 3.03Å |
| 54 | S | 89.3 | Confident | 84 | Confident | 39 Ų | 39 | 68.8 Ų | 68.8 | 27% | 0.273 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -84.5 | -14.7 | -179 | 71.4 | 0 | 0 | 0 | 0 | 114.7 | Q50 K51 L52 S56 P167 | Q50-S54 VanDerWaalsContact O-CB 3.26Å; Q50-S54 WeakPolarHBondContact O-CB 3.15Å; Q50-S54 PolarHBondContact O-N 3.14Å; Q50-S54 PolarHBondContact O-OG 3.42Å; K51-S54 WeakPolarHBondContact CA-OG 3.44Å; K51-S54 PolarHBondContact O-N 3.4Å; K51-S54 VanDerWaalsContact O-N 3.16Å; K51-S54 PolarHBondContact O-OG 3.46Å; L52-S54 VanDerWaalsContact C-N 3.27Å; L52-S54 PolarHBondContact O-N 2.54Å; S54-S56 PolarHBondContact O-N 3.04Å; S54-P167 WeakPolarHBondContact O-CB 3.35Å |
| 55 | A | 92.9 | Very high | 85.7 | Confident | 2 Ų | 2 | 69.3 Ų | 69.3 | 2% | 0.017 | 36% | 0.359 | C | S | . | . | trans | -55.5 | 130.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | K51 L52 E60 L61 L64 W126 | K51-A55 PolarHBondContact O-N 2.84Å; L52-A55 WeakPolarHBondContact O-CB 3.45Å; L52-A55 PolarHBondContact O-N 3.42Å; A55-E60 HydrophobicContact CB-CB 4.48Å; A55-E60 HydrophobicContact CB-CG 4.2Å; A55-L61 HydrophobicContact CB-CB 4.19Å; A55-L61 HydrophobicContact CB-CD1 4.28Å; A55-L64 HydrophobicContact CB-CD1 4.2Å; A55-W126 VanDerWaalsContact O-CZ2 3.22Å; A55-W126 WeakPolarHBondContact O-CZ2 3.45Å | ||
| 56 | S | 89.8 | Confident | 87.2 | Confident | 62 Ų | 62 | 65.2 Ų | 65.2 | 43% | 0.434 | 34% | 0.34 | S | S | . | . | trans | -108.7 | -4.3 | -168.8 | 64.3 | 0 | 0 | 0 | 0 | 113.8 | S54 E60 W126 | S54-S56 PolarHBondContact O-N 3.04Å; S56-E60 PolarHBondContact N-OE2 3.25Å; S56-E60 PolarHBondContact OG-OE2 3.47Å; S56-W126 PolarHBondContact O-NE1 3.41Å | ||
| 57 | S | 92.1 | Very high | 88.3 | Confident | 42 Ų | 42 | 63.7 Ų | 63.7 | 29% | 0.294 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -152.5 | 160.2 | -179 | 64.4 | 0 | 0 | 0 | 0 | 110.9 | D59 E60 L61 | S57-D59 PolarHBondContact O-N 3.24Å; S57-E60 PolarHBondContact O-N 3.18Å; S57-E60 WeakPolarHBondContact OG-CB 3.31Å; S57-E60 PolarHBondContact OG-N 2.76Å; S57-E60 VanDerWaalsContact OG-N 3.13Å; S57-L61 WeakPolarHBondContact O-CB 3.36Å; S57-L61 PolarHBondContact O-N 2.91Å |
| 58 | V | 91.2 | Very high | 88 | Confident | 5 Ų | 5 | 62.4 Ų | 62.4 | 3% | 0.03 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.5 | -36.8 | 170.6 | 177.3 | 0 | 0 | 0 | 0 | 110.5 | L61 M62 W70 L119 I122 E123 W126 | V58-L61 PolarHBondContact O-N 2.89Å; V58-M62 HydrophobicContact CG1-CG 3.86Å; V58-M62 WeakPolarHBondContact O-CB 3.03Å; V58-M62 WeakPolarHBondContact O-CG 3.04Å; V58-M62 PolarHBondContact O-N 2.71Å; V58-W70 HydrophobicContact CG1-CH2 4.38Å; V58-L119 HydrophobicContact CG1-CD2 4.2Å; V58-I122 HydrophobicContact CG2-CB 4.23Å; V58-I122 HydrophobicContact CG2-CG2 3.69Å; V58-E123 HydrophobicContact CB-CB 4.4Å; V58-E123 HydrophobicContact CG2-CB 3.84Å; V58-W126 HydrophobicContact CG2-CE3 4.22Å |
| 59 | D | 88.9 | Confident | 87.7 | Confident | 70 Ų | 70 | 59.1 Ų | 59.1 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 179.8 | -164.9 | 69.9 | 0 | 0 | 0 | 112.7 | S57 S63 W70 K74 | S57-D59 PolarHBondContact O-N 3.24Å; D59-S63 VanDerWaalsContact O-CB 3.3Å; D59-S63 WeakPolarHBondContact O-CB 3.46Å; D59-S63 PolarHBondContact O-N 2.93Å; D59-S63 PolarHBondContact O-OG 2.85Å; D59-W70 HydrophobicContact CB-CZ2 4.42Å; D59-W70 PolarHBondContact O-NE1 2.91Å; D59-W70 WeakPolarHBondContact OD1-CZ2 3.33Å; D59-W70 PolarHBondContact OD1-NE1 3.18Å; D59-K74 WeakPolarHBondContact OD1-CE 3.32Å; D59-K74 IonicContact OD1-NZ 2.74Å; D59-K74 PolarHBondContact OD1-NZ 3.07Å; D59-K74 IonicContact OD2-NZ 2.74Å; D59-K74 PolarHBondContact OD2-NZ 3.44Å |
| 60 | E | 91.6 | Very high | 87.5 | Confident | 71 Ų | 71 | 57.3 Ų | 57.3 | 33% | 0.332 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66 | -46.1 | 177.9 | -172.4 | 175 | -167.6 | 0 | 0 | 110.9 | A55 S56 S57 M62 S63 L64 | A55-E60 HydrophobicContact CB-CB 4.48Å; A55-E60 HydrophobicContact CB-CG 4.2Å; S56-E60 PolarHBondContact N-OE2 3.25Å; S56-E60 PolarHBondContact OG-OE2 3.47Å; S57-E60 PolarHBondContact O-N 3.18Å; S57-E60 WeakPolarHBondContact OG-CB 3.31Å; S57-E60 PolarHBondContact OG-N 2.76Å; S57-E60 VanDerWaalsContact OG-N 3.13Å; E60-M62 PolarHBondContact O-N 3.48Å; E60-S63 PolarHBondContact O-N 3.32Å; E60-L64 HydrophobicContact CG-CD1 4.47Å; E60-L64 WeakPolarHBondContact O-CG 3.34Å; E60-L64 PolarHBondContact O-N 2.85Å |
| 61 | L | 91.7 | Very high | 87.2 | Confident | 43 Ų | 43 | 53 Ų | 53 | 23% | 0.225 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 178.5 | -177.5 | 64.9 | 0 | 0 | 0 | 111.9 | L52 A55 S57 V58 S63 L64 I65 W126 | L52-L61 HydrophobicContact CD2-CD1 3.99Å; A55-L61 HydrophobicContact CB-CB 4.19Å; A55-L61 HydrophobicContact CB-CD1 4.28Å; S57-L61 WeakPolarHBondContact O-CB 3.36Å; S57-L61 PolarHBondContact O-N 2.91Å; V58-L61 PolarHBondContact O-N 2.89Å; L61-S63 VanDerWaalsContact C-N 3.32Å; L61-S63 PolarHBondContact O-N 2.8Å; L61-L64 PolarHBondContact O-N 3.38Å; L61-L64 VanDerWaalsContact O-N 3.15Å; L61-I65 HydrophobicContact CD1-CD1 3.63Å; L61-I65 HydrophobicContact CD1-CG1 4.3Å; L61-I65 HydrophobicContact CG-CD1 3.9Å; L61-I65 WeakPolarHBondContact O-CG1 3.47Å; L61-I65 PolarHBondContact O-N 3.21Å; L61-W126 HydrophobicContact CD2-CZ3 4.23Å |
| 62 | M | 88.7 | Confident | 86.7 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 5% | 0.049 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.2 | -33.1 | -180 | -70.9 | -56.6 | -58.5 | 0 | 0 | 112.2 | V58 E60 L64 Y66 Y69 W70 L114 L119 | V58-M62 HydrophobicContact CG1-CG 3.86Å; V58-M62 WeakPolarHBondContact O-CB 3.03Å; V58-M62 WeakPolarHBondContact O-CG 3.04Å; V58-M62 PolarHBondContact O-N 2.71Å; E60-M62 PolarHBondContact O-N 3.48Å; M62-L64 VanDerWaalsContact C-N 3.28Å; M62-L64 PolarHBondContact O-N 3.4Å; M62-Y66 HydrophobicContact CE-CD2 3.58Å; M62-Y66 HydrophobicContact CE-CE2 4.45Å; M62-Y66 HydrophobicContact CE-CG 4.29Å; M62-Y66 CarbonylContact O-C 3.09Å; M62-Y66 WeakPolarHBondContact O-CA 3.43Å; M62-Y66 PolarHBondContact O-N 2.91Å; M62-Y66 HydrophobicContact SD-CD2 4.25Å; M62-Y69 HydrophobicContact CE-CD1 4.42Å; M62-W70 HydrophobicContact CB-CB 4.17Å; M62-W70 HydrophobicContact CB-CD2 3.35Å; M62-W70 HydrophobicContact CB-CE3 3.73Å; M62-W70 HydrophobicContact CB-CG 3.55Å; M62-W70 HydrophobicContact CB-CZ2 4.23Å; M62-W70 HydrophobicContact CB-CZ3 4.31Å; M62-W70 HydrophobicContact CE-CE3 4.13Å; M62-W70 HydrophobicContact CG-CD2 4.09Å; M62-W70 HydrophobicContact CG-CE3 3.98Å; M62-W70 HydrophobicContact CG-CH2 4.38Å; M62-W70 HydrophobicContact CG-CZ2 4.45Å; M62-W70 HydrophobicContact CG-CZ3 4.14Å; M62-L114 HydrophobicContact CE-CD1 3.46Å; M62-L114 VanDerWaalsContact CE-CD1 3.46Å; M62-L114 HydrophobicContact SD-CD1 4.18Å; M62-L119 HydrophobicContact SD-CD2 4.17Å |
| 63 | S | 88.8 | Confident | 86.1 | Confident | 46 Ų | 46 | 46.8 Ų | 46.8 | 32% | 0.322 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.8 | -30.3 | 172.8 | -57.2 | 0 | 0 | 0 | 0 | 112.3 | D59 E60 L61 P67 | D59-S63 VanDerWaalsContact O-CB 3.3Å; D59-S63 WeakPolarHBondContact O-CB 3.46Å; D59-S63 PolarHBondContact O-N 2.93Å; D59-S63 PolarHBondContact O-OG 2.85Å; E60-S63 PolarHBondContact O-N 3.32Å; L61-S63 VanDerWaalsContact C-N 3.32Å; L61-S63 PolarHBondContact O-N 2.8Å; S63-P67 WeakPolarHBondContact O-CA 3.31Å; S63-P67 WeakPolarHBondContact O-CB 3.33Å |
| 64 | L | 88.6 | Confident | 85.9 | Confident | 72 Ų | 72 | 44.3 Ų | 44.3 | 38% | 0.377 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -77.8 | -44 | 177.2 | -71 | 169.2 | 0 | 0 | 0 | 112.6 | K51 L52 A55 E60 L61 M62 | K51-L64 HydrophobicContact CB-CD1 4.2Å; K51-L64 HydrophobicContact CB-CD2 4.31Å; L52-L64 HydrophobicContact CD2-CB 4.04Å; L52-L64 HydrophobicContact CD2-CD1 4.34Å; A55-L64 HydrophobicContact CB-CD1 4.2Å; E60-L64 HydrophobicContact CG-CD1 4.47Å; E60-L64 WeakPolarHBondContact O-CG 3.34Å; E60-L64 PolarHBondContact O-N 2.85Å; L61-L64 PolarHBondContact O-N 3.38Å; L61-L64 VanDerWaalsContact O-N 3.15Å; M62-L64 VanDerWaalsContact C-N 3.28Å; M62-L64 PolarHBondContact O-N 3.4Å |
| 65 | I | 87 | Confident | 85.6 | Confident | 79 Ų | 79 | 42.5 Ų | 42.5 | 41% | 0.405 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -85.4 | -39.3 | -174.5 | -55.7 | 173 | 0 | 0 | 0 | 111.4 | L52 L61 | L52-I65 HydrophobicContact CD2-CD1 4.03Å; L52-I65 HydrophobicContact CD2-CG1 3.57Å; L61-I65 HydrophobicContact CD1-CD1 3.63Å; L61-I65 HydrophobicContact CD1-CG1 4.3Å; L61-I65 HydrophobicContact CG-CD1 3.9Å; L61-I65 WeakPolarHBondContact O-CG1 3.47Å; L61-I65 PolarHBondContact O-N 3.21Å |
| 66 | Y | 83.3 | Confident | 84.9 | Confident | 74 Ų | 74 | 47.7 Ų | 47.7 | 29% | 0.29 | 26% | 0.255 | S | S | . | . | trans | -136 | 60.6 | -172.6 | -59.7 | -68.4 | 0 | 0 | 0 | 112.5 | M62 S68 Y69 W70 A111 L114 | M62-Y66 HydrophobicContact CE-CD2 3.58Å; M62-Y66 HydrophobicContact CE-CE2 4.45Å; M62-Y66 HydrophobicContact CE-CG 4.29Å; M62-Y66 CarbonylContact O-C 3.09Å; M62-Y66 WeakPolarHBondContact O-CA 3.43Å; M62-Y66 PolarHBondContact O-N 2.91Å; M62-Y66 HydrophobicContact SD-CD2 4.25Å; Y66-S68 PolarHBondContact O-N 2.88Å; Y66-Y69 PolarHBondContact O-N 2.94Å; Y66-W70 WeakPolarHBondContact O-CB 3.45Å; Y66-W70 PolarHBondContact O-N 3.48Å; Y66-A111 HydrophobicContact CD1-CB 3.86Å; Y66-A111 HydrophobicContact CE1-CB 3.89Å; Y66-A111 HydrophobicContact CG-CB 4.33Å; Y66-L114 HydrophobicContact CD2-CD1 3.98Å; Y66-L114 HydrophobicContact CE2-CD1 3.8Å | ||
| 67 | P | 82.1 | Confident | 84 | Confident | 79 Ų | 79 | 48 Ų | 48 | 51% | 0.513 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -56.6 | -48.8 | -170.3 | 18.6 | -31.3 | 0 | 0 | 0 | 114.2 | S63 A71 | S63-P67 WeakPolarHBondContact O-CA 3.31Å; S63-P67 WeakPolarHBondContact O-CB 3.33Å; P67-A71 VanDerWaalsContact O-CB 3.25Å; P67-A71 WeakPolarHBondContact O-CB 3.38Å; P67-A71 PolarHBondContact O-N 3.11Å |
| 68 | S | 74.4 | Confident | 82.9 | Confident | 64 Ų | 64 | 52.1 Ų | 52.1 | 45% | 0.448 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.8 | -44.9 | -177.8 | 51.9 | 0 | 0 | 0 | 0 | 112.5 | Y66 A71 A72 | Y66-S68 PolarHBondContact O-N 2.88Å; S68-A71 PolarHBondContact O-N 2.89Å; S68-A72 VanDerWaalsContact O-CB 3.3Å; S68-A72 WeakPolarHBondContact O-CB 3.41Å; S68-A72 PolarHBondContact O-N 3.17Å |
| 69 | Y | 77.3 | Confident | 81.5 | Confident | 32 Ų | 32 | 55.2 Ų | 55.2 | 13% | 0.125 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.3 | -45 | 176.3 | 172.3 | -95.1 | 0 | 0 | 0 | 111.6 | M62 Y66 A72 L73 A111 L279 | M62-Y69 HydrophobicContact CE-CD1 4.42Å; Y66-Y69 PolarHBondContact O-N 2.94Å; Y69-A72 WeakPolarHBondContact O-CB 3.46Å; Y69-A72 PolarHBondContact O-N 3.12Å; Y69-L73 HydrophobicContact CE1-CD1 3.72Å; Y69-L73 VanDerWaalsContact O-CB 3.28Å; Y69-L73 WeakPolarHBondContact O-CB 3.49Å; Y69-L73 PolarHBondContact O-N 3.02Å; Y69-L73 WeakPolarHBondContact OH-CD1 3.29Å; Y69-A111 HydrophobicContact CD1-CB 4.39Å; Y69-A111 HydrophobicContact CD2-CB 4.24Å; Y69-A111 HydrophobicContact CG-CB 4.17Å; Y69-L279 HydrophobicContact CD2-CD1 4.24Å; Y69-L279 HydrophobicContact CD2-CD2 3.45Å; Y69-L279 VanDerWaalsContact CD2-CD2 3.45Å; Y69-L279 HydrophobicContact CD2-CG 4.49Å; Y69-L279 HydrophobicContact CE2-CD1 4.47Å; Y69-L279 HydrophobicContact CE2-CD2 4.29Å; Y69-L279 HydrophobicContact CG-CD2 4.18Å |
| 70 | W | 82.8 | Confident | 80.2 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67 | -40.7 | -179.1 | -169.5 | -124.5 | 0 | 0 | 0 | 111.7 | V58 D59 M62 Y66 L73 K74 L119 | V58-W70 HydrophobicContact CG1-CH2 4.38Å; D59-W70 HydrophobicContact CB-CZ2 4.42Å; D59-W70 PolarHBondContact O-NE1 2.91Å; D59-W70 WeakPolarHBondContact OD1-CZ2 3.33Å; D59-W70 PolarHBondContact OD1-NE1 3.18Å; M62-W70 HydrophobicContact CB-CB 4.17Å; M62-W70 HydrophobicContact CB-CD2 3.35Å; M62-W70 HydrophobicContact CB-CE3 3.73Å; M62-W70 HydrophobicContact CB-CG 3.55Å; M62-W70 HydrophobicContact CB-CZ2 4.23Å; M62-W70 HydrophobicContact CB-CZ3 4.31Å; M62-W70 HydrophobicContact CE-CE3 4.13Å; M62-W70 HydrophobicContact CG-CD2 4.09Å; M62-W70 HydrophobicContact CG-CE3 3.98Å; M62-W70 HydrophobicContact CG-CH2 4.38Å; M62-W70 HydrophobicContact CG-CZ2 4.45Å; M62-W70 HydrophobicContact CG-CZ3 4.14Å; Y66-W70 WeakPolarHBondContact O-CB 3.45Å; Y66-W70 PolarHBondContact O-N 3.48Å; W70-L73 HydrophobicContact CE3-CD2 3.9Å; W70-L73 HydrophobicContact CH2-CD2 4.28Å; W70-L73 HydrophobicContact CZ3-CD2 3.58Å; W70-L73 PolarHBondContact O-N 3.4Å; W70-K74 WeakPolarHBondContact O-CG 3.31Å; W70-K74 PolarHBondContact O-N 3.2Å; W70-L119 HydrophobicContact CH2-CD1 4.33Å; W70-L119 HydrophobicContact CZ3-CD1 3.63Å |
| 71 | A | 82.5 | Confident | 78.6 | Confident | 15 Ų | 15 | 54.5 Ų | 54.5 | 12% | 0.124 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.1 | -51.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P67 S68 L73 K74 C75 V292 | P67-A71 VanDerWaalsContact O-CB 3.25Å; P67-A71 WeakPolarHBondContact O-CB 3.38Å; P67-A71 PolarHBondContact O-N 3.11Å; S68-A71 PolarHBondContact O-N 2.89Å; A71-L73 VanDerWaalsContact C-N 3.31Å; A71-L73 PolarHBondContact O-N 3.12Å; A71-K74 PolarHBondContact O-N 3.02Å; A71-C75 PolarHBondContact O-N 3.48Å; A71-V292 HydrophobicContact CB-CB 4.34Å; A71-V292 HydrophobicContact CB-CG1 3.49Å; A71-V292 VanDerWaalsContact CB-CG1 3.49Å; A71-V292 HydrophobicContact CB-CG2 3.92Å |
| 72 | A | 78.8 | Confident | 76.9 | Confident | 9 Ų | 9 | 55.2 Ų | 55.2 | 7% | 0.074 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56 | -44.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S68 Y69 C75 R76 L279 L283 L290 | S68-A72 VanDerWaalsContact O-CB 3.3Å; S68-A72 WeakPolarHBondContact O-CB 3.41Å; S68-A72 PolarHBondContact O-N 3.17Å; Y69-A72 WeakPolarHBondContact O-CB 3.46Å; Y69-A72 PolarHBondContact O-N 3.12Å; A72-C75 PolarHBondContact O-N 2.9Å; A72-R76 PolarHBondContact O-N 3.29Å; A72-L279 HydrophobicContact CB-CD2 3.92Å; A72-L283 HydrophobicContact CB-CD1 3.52Å; A72-L283 WeakPolarHBondContact O-CD1 3.49Å; A72-L290 HydrophobicContact CB-CD2 4.19Å |
| 73 | L | 78.8 | Confident | 75.2 | Confident | 18 Ų | 18 | 57.5 Ų | 57.5 | 9% | 0.094 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 178.7 | -172.9 | 144.4 | 0 | 0 | 0 | 112.7 | Y69 W70 A71 C75 R76 S77 L116 | Y69-L73 HydrophobicContact CE1-CD1 3.72Å; Y69-L73 VanDerWaalsContact O-CB 3.28Å; Y69-L73 WeakPolarHBondContact O-CB 3.49Å; Y69-L73 PolarHBondContact O-N 3.02Å; Y69-L73 WeakPolarHBondContact OH-CD1 3.29Å; W70-L73 HydrophobicContact CE3-CD2 3.9Å; W70-L73 HydrophobicContact CH2-CD2 4.28Å; W70-L73 HydrophobicContact CZ3-CD2 3.58Å; W70-L73 PolarHBondContact O-N 3.4Å; A71-L73 VanDerWaalsContact C-N 3.31Å; A71-L73 PolarHBondContact O-N 3.12Å; L73-C75 VanDerWaalsContact C-N 3.31Å; L73-C75 PolarHBondContact O-N 3.43Å; L73-R76 PolarHBondContact O-N 2.91Å; L73-S77 PolarHBondContact O-N 2.98Å; L73-L116 HydrophobicContact CD1-CD2 3.67Å; L73-L116 HydrophobicContact CD2-CD2 3.66Å; L73-L116 HydrophobicContact CG-CD2 3.92Å |
| 74 | K | 82.8 | Confident | 73.2 | Confident | 72 Ų | 72 | 59.6 Ų | 59.6 | 31% | 0.313 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.4 | -37.5 | 172 | -72.4 | -173.3 | -145.9 | -170.9 | 0 | 111.9 | D59 W70 A71 S77 | D59-K74 WeakPolarHBondContact OD1-CE 3.32Å; D59-K74 IonicContact OD1-NZ 2.74Å; D59-K74 PolarHBondContact OD1-NZ 3.07Å; D59-K74 IonicContact OD2-NZ 2.74Å; D59-K74 PolarHBondContact OD2-NZ 3.44Å; W70-K74 WeakPolarHBondContact O-CG 3.31Å; W70-K74 PolarHBondContact O-N 3.2Å; A71-K74 PolarHBondContact O-N 3.02Å; K74-S77 PolarHBondContact O-OG 3.25Å |
| 75 | C | 83.4 | Confident | 71 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.014 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -72.7 | -35.7 | 177.8 | -72.7 | 0 | 0 | 0 | 0 | 113 | A71 A72 L73 S77 K78 L79 L290 C295 | A71-C75 PolarHBondContact O-N 3.48Å; A72-C75 PolarHBondContact O-N 2.9Å; L73-C75 VanDerWaalsContact C-N 3.31Å; L73-C75 PolarHBondContact O-N 3.43Å; C75-S77 VanDerWaalsContact C-N 3.28Å; C75-S77 PolarHBondContact O-N 3.03Å; C75-K78 PolarHBondContact O-N 3.26Å; C75-L79 WeakPolarHBondContact O-CG 3.41Å; C75-L79 PolarHBondContact O-N 3.39Å; C75-L290 HydrophobicContact CB-CD1 4.07Å; C75-L290 HydrophobicContact CB-CD2 3.77Å; C75-L290 HydrophobicContact CB-CG 4.43Å; C75-C295 WeakPolarHBondContact CA-SG 3.43Å; C75-C295 HydrophobicContact CB-CB 3.57Å; C75-C295 WeakPolarHBondContact CB-SG 3.39Å; C75-C295 WeakPolarHBondContact SG-CA 3.46Å; C75-C295 WeakPolarHBondContact SG-CB 3.32Å; C75-C295 CovalentContact SG-SG 2.05Å; C75-C295 PolarHBondContact SG-SG 2.9Å |
| 76 | R | 78 | Confident | 68.9 | Low | 110 Ų | 110 | 61.7 Ų | 61.7 | 42% | 0.415 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -56 | -41.2 | 174.5 | -176.8 | 172.9 | 60.7 | -172.8 | -1.1 | 112.4 | A72 L73 L79 S80 L283 | A72-R76 PolarHBondContact O-N 3.29Å; L73-R76 PolarHBondContact O-N 2.91Å; R76-L79 PolarHBondContact O-N 3.33Å; R76-S80 WeakPolarHBondContact O-CB 3.48Å; R76-S80 PolarHBondContact O-N 3.43Å; R76-S80 PolarHBondContact O-OG 2.8Å; R76-L283 HydrophobicContact CB-CD2 3.92Å; R76-L283 HydrophobicContact CG-CD2 4Å |
| 77 | S | 70.4 | Confident | 66.9 | Low | 68 Ų | 68 | 62.1 Ų | 62.1 | 48% | 0.476 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 178.7 | 72.1 | 0 | 0 | 0 | 0 | 111.8 | L73 K74 C75 S80 A81 | L73-S77 PolarHBondContact O-N 2.98Å; K74-S77 PolarHBondContact O-OG 3.25Å; C75-S77 VanDerWaalsContact C-N 3.28Å; C75-S77 PolarHBondContact O-N 3.03Å; S77-S80 PolarHBondContact O-N 3.44Å; S77-S80 PolarHBondContact O-OG 2.87Å; S77-A81 PolarHBondContact O-N 3.24Å; S77-A81 VanDerWaalsContact O-N 3.1Å |
| 78 | K | 69.8 | Low | 64.8 | Low | 130 Ų | 130 | 68 Ų | 68 | 57% | 0.565 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.8 | -42.6 | 175.2 | -69.8 | -177.6 | 178.4 | 177.1 | 0 | 112.6 | C75 A81 A82 C295 | C75-K78 PolarHBondContact O-N 3.26Å; K78-A81 PolarHBondContact O-N 3Å; K78-A82 PolarHBondContact O-N 2.93Å; K78-C295 HydrophobicContact CD-CB 4.46Å |
| 79 | L | 63 | Low | 63.1 | Low | 70 Ų | 70 | 74 Ų | 74 | 37% | 0.366 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 177 | -72.9 | 165.8 | 0 | 0 | 0 | 112 | C75 R76 A81 A82 A83 | C75-L79 WeakPolarHBondContact O-CG 3.41Å; C75-L79 PolarHBondContact O-N 3.39Å; R76-L79 PolarHBondContact O-N 3.33Å; L79-A81 PolarHBondContact O-N 3.35Å; L79-A82 PolarHBondContact O-N 3.22Å; L79-A83 WeakPolarHBondContact O-CB 3.1Å; L79-A83 PolarHBondContact O-N 2.96Å |
| 80 | S | 60.5 | Low | 60.9 | Low | 67 Ų | 67 | 78.5 Ų | 78.5 | 47% | 0.469 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.7 | -35.4 | 176.3 | 72.5 | 0 | 0 | 0 | 0 | 113.1 | R76 S77 S84 | R76-S80 WeakPolarHBondContact O-CB 3.48Å; R76-S80 PolarHBondContact O-N 3.43Å; R76-S80 PolarHBondContact O-OG 2.8Å; S77-S80 PolarHBondContact O-N 3.44Å; S77-S80 PolarHBondContact O-OG 2.87Å; S80-S84 PolarHBondContact O-N 2.75Å; S80-S84 VanDerWaalsContact O-N 3.14Å; S80-S84 PolarHBondContact O-OG 2.98Å |
| 81 | A | 58.1 | Low | 58.7 | Low | 58 Ų | 58 | 87 Ų | 87 | 48% | 0.479 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.5 | -36.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S77 K78 L79 S84 S85 | S77-A81 PolarHBondContact O-N 3.24Å; S77-A81 VanDerWaalsContact O-N 3.1Å; K78-A81 PolarHBondContact O-N 3Å; L79-A81 PolarHBondContact O-N 3.35Å; A81-S84 PolarHBondContact O-N 2.94Å; A81-S85 PolarHBondContact O-N 2.68Å; A81-S85 PolarHBondContact O-OG 3.04Å; A81-S85 VanDerWaalsContact O-OG 3.08Å |
| 82 | A | 55.8 | Low | 56.2 | Low | 58 Ų | 58 | 96.9 Ų | 96.9 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.8 | -40.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K78 L79 S84 S85 A86 | K78-A82 PolarHBondContact O-N 2.93Å; L79-A82 PolarHBondContact O-N 3.22Å; A82-S84 VanDerWaalsContact C-N 3.31Å; A82-S84 PolarHBondContact O-N 3.43Å; A82-S85 WeakPolarHBondContact O-CB 3.45Å; A82-S85 PolarHBondContact O-N 2.76Å; A82-S85 VanDerWaalsContact O-N 3.1Å; A82-A86 PolarHBondContact O-N 3.09Å; A82-A86 VanDerWaalsContact O-N 3.15Å |
| 83 | A | 53.4 | Low | 54.1 | Low | 58 Ų | 58 | 102.1 Ų | 102.1 | 48% | 0.479 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66 | -32 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | L79 S85 A86 S87 | L79-A83 WeakPolarHBondContact O-CB 3.1Å; L79-A83 PolarHBondContact O-N 2.96Å; A83-S85 PolarHBondContact O-N 2.98Å; A83-A86 PolarHBondContact O-N 3.12Å; A83-S87 PolarHBondContact O-N 3.45Å; A83-S87 PolarHBondContact O-OG 3.01Å |
| 84 | S | 45.8 | Very low | 51.9 | Low | 90 Ų | 90 | 110.2 Ų | 110.2 | 63% | 0.629 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.2 | -23.2 | 173.1 | -55.4 | 0 | 0 | 0 | 0 | 112.6 | S80 A81 A82 | S80-S84 PolarHBondContact O-N 2.75Å; S80-S84 VanDerWaalsContact O-N 3.14Å; S80-S84 PolarHBondContact O-OG 2.98Å; A81-S84 PolarHBondContact O-N 2.94Å; A82-S84 VanDerWaalsContact C-N 3.31Å; A82-S84 PolarHBondContact O-N 3.43Å |
| 85 | S | 42.7 | Very low | 49.4 | Very low | 110 Ų | 110 | 112.5 Ų | 112.5 | 77% | 0.769 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -87.3 | -19.7 | 175 | -53.3 | 0 | 0 | 0 | 0 | 112.8 | A81 A82 A83 | A81-S85 PolarHBondContact O-N 2.68Å; A81-S85 PolarHBondContact O-OG 3.04Å; A81-S85 VanDerWaalsContact O-OG 3.08Å; A82-S85 WeakPolarHBondContact O-CB 3.45Å; A82-S85 PolarHBondContact O-N 2.76Å; A82-S85 VanDerWaalsContact O-N 3.1Å; A83-S85 PolarHBondContact O-N 2.98Å |
| 86 | A | 43.3 | Very low | 47.3 | Very low | 85 Ų | 85 | 121.1 Ų | 121.1 | 70% | 0.702 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -98 | -7.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | A82 A83 K88 | A82-A86 PolarHBondContact O-N 3.09Å; A82-A86 VanDerWaalsContact O-N 3.15Å; A83-A86 PolarHBondContact O-N 3.12Å; A86-K88 PolarHBondContact O-N 3.3Å |
| 87 | S | 41.2 | Very low | 45 | Very low | 84 Ų | 84 | 127.2 Ų | 127.2 | 59% | 0.587 | 69% | 0.686 | S | S | * | * | trans | -96.6 | 67.7 | -178.5 | 47.8 | 0 | 0 | 0 | 0 | 112.9 | A83 | A83-S87 PolarHBondContact O-N 3.45Å; A83-S87 PolarHBondContact O-OG 3.01Å | ||
| 88 | K | 38.3 | Very low | 43.4 | Very low | 203 Ų | 203 | 131.7 Ų | 131.7 | 88% | 0.883 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -111.2 | 44.8 | 152.6 | -90.5 | -167.9 | -177.8 | 179.2 | 0 | 111.1 | A86 | A86-K88 PolarHBondContact O-N 3.3Š|
| 89 | F | 37.9 | Very low | 41.4 | Very low | 189 Ų | 189 | 136.6 Ų | 136.6 | 83% | 0.829 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -168.3 | 139.5 | 153.8 | -138.2 | -117.5 | 0 | 0 | 0 | 110.7 | ||
| 90 | T | 31.6 | Very low | 40 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | trans | 74.8 | 82.3 | -179.8 | 66.9 | 0 | 0 | 0 | 0 | 116.6 | R92 | T90-R92 PolarHBondContact O-N 3.13Š| ||
| 91 | Q | 36.8 | Very low | 39.1 | Very low | 205 Ų | 205 | 143.5 Ų | 143.5 | 96% | 0.958 | 76% | 0.756 | S | S | * | * | trans | -61.9 | 117.6 | 150.6 | -69.8 | 176.7 | 2.3 | 0 | 0 | 108.4 | ||||
| 92 | R | 29.5 | Very low | 37.8 | Very low | 223 Ų | 223 | 145.7 Ų | 145.7 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | trans | -124.2 | 121.8 | 156.2 | -158.8 | 175 | -175.3 | 178.2 | 1.2 | 106.5 | T90 Q94 | T90-R92 PolarHBondContact O-N 3.13Å; R92-Q94 PolarHBondContact O-N 3.44Å | ||
| 93 | P | 34.3 | Very low | 37.1 | Very low | 118 Ų | 118 | 152.4 Ų | 152.4 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | trans | -67.9 | 119.8 | -176 | 18.3 | -18.1 | 0 | 0 | 0 | 108.9 | T95 | P93-T95 PolarHBondContact O-N 3.19Å; P93-T95 VanDerWaalsContact O-N 3.13Å | ||
| 94 | Q | 34.1 | Very low | 36 | Very low | 189 Ų | 189 | 153.3 Ų | 153.3 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -70.7 | 103.8 | 168.2 | -72.1 | -170.2 | -10.6 | 0 | 0 | 107.7 | R92 H96 | R92-Q94 PolarHBondContact O-N 3.44Å; Q94-H96 PolarHBondContact O-N 2.87Å | ||
| 95 | T | 29.6 | Very low | 36 | Very low | 120 Ų | 120 | 159 Ų | 159 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | trans | -60.7 | 121.6 | 161.4 | 49.7 | 0 | 0 | 0 | 0 | 108.1 | P93 R97 | P93-T95 PolarHBondContact O-N 3.19Å; P93-T95 VanDerWaalsContact O-N 3.13Å; T95-R97 PolarHBondContact O-N 2.79Å | ||
| 96 | H | 38.4 | Very low | 35.7 | Very low | 182 Ų | 182 | 161.2 Ų | 161.2 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | trans | -48.4 | 100.9 | 164 | -94.6 | -87.5 | 0 | 0 | 0 | 109.3 | Q94 L98 | Q94-H96 PolarHBondContact O-N 2.87Å; H96-L98 VanDerWaalsContact C-N 3.34Å; H96-L98 PolarHBondContact O-N 3.19Å | ||
| 97 | R | 30 | Very low | 35.4 | Very low | 238 Ų | 238 | 163 Ų | 163 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | trans | -82.5 | 88.1 | 166.1 | -115.2 | -171.7 | 179.4 | -171.7 | -0 | 107 | T95 R99 | T95-R97 PolarHBondContact O-N 2.79Å; R97-R99 PolarHBondContact O-N 3.32Å; R97-R99 VanDerWaalsContact O-N 3.12Å | ||
| 98 | L | 36.8 | Very low | 35.7 | Very low | 162 Ų | 162 | 163.6 Ų | 163.6 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | -58.8 | 108.2 | 156.3 | -75.2 | 153.2 | 0 | 0 | 0 | 106.6 | H96 | H96-L98 VanDerWaalsContact C-N 3.34Å; H96-L98 PolarHBondContact O-N 3.19Å | ||
| 99 | R | 28.3 | Very low | 36.5 | Very low | 234 Ų | 234 | 160 Ų | 160 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -80.5 | 129.7 | 170.4 | -166.9 | 170.9 | -177.9 | 157.6 | -2.3 | 107.2 | R97 | R97-R99 PolarHBondContact O-N 3.32Å; R97-R99 VanDerWaalsContact O-N 3.12Å | ||
| 100 | P | 33.4 | Very low | 37.2 | Very low | 111 Ų | 111 | 154.5 Ų | 154.5 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | trans | -67.8 | 145.8 | -177.4 | -12.3 | 26.7 | 0 | 0 | 0 | 111.1 | S102 | P100-S102 PolarHBondContact O-N 2.85Å; P100-S102 VanDerWaalsContact O-N 3.17Å | ||
| 101 | L | 42.5 | Very low | 38.2 | Very low | 171 Ų | 171 | 149.1 Ų | 149.1 | 90% | 0.895 | 76% | 0.756 | S | S | * | * | trans | -49.9 | 115.5 | 164.5 | -98.2 | 77.2 | 0 | 0 | 0 | 109.3 | ||||
| 102 | S | 30.6 | Very low | 39 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | trans | -105.2 | 114 | 151.6 | 59.5 | 0 | 0 | 0 | 0 | 106.9 | P100 A104 | P100-S102 PolarHBondContact O-N 2.85Å; P100-S102 VanDerWaalsContact O-N 3.17Å; S102-A104 VanDerWaalsContact C-N 3.3Å; S102-A104 PolarHBondContact O-N 3.09Å | ||
| 103 | E | 39.7 | Very low | 40.3 | Very low | 199 Ų | 199 | 141.3 Ų | 141.3 | 93% | 0.93 | 73% | 0.733 | S | S | * | * | trans | -55.9 | 93.3 | 165.6 | -74.3 | 166.8 | 138.1 | 0 | 0 | 109.1 | ||||
| 104 | A | 31.8 | Very low | 41.9 | Very low | 77 Ų | 77 | 138 Ų | 138 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | trans | -139.2 | 109.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 105.2 | S102 E106 | S102-A104 VanDerWaalsContact C-N 3.3Å; S102-A104 PolarHBondContact O-N 3.09Å; A104-E106 PolarHBondContact O-N 2.75Å | ||
| 105 | Q | 46.3 | Very low | 43.9 | Very low | 209 Ų | 209 | 133.2 Ų | 133.2 | 98% | 0.977 | 69% | 0.689 | S | S | * | * | trans | -71.8 | 78.1 | -176.5 | -139.2 | 155.1 | -1.7 | 0 | 0 | 108.2 | ||||
| 106 | E | 36.3 | Very low | 46.4 | Very low | 157 Ų | 157 | 130.9 Ų | 130.9 | 73% | 0.734 | 67% | 0.672 | S | S | * | * | trans | -87 | 130 | 165.3 | -82.1 | -170.6 | 142 | 0 | 0 | 108.5 | A104 T108 | A104-E106 PolarHBondContact O-N 2.75Å; E106-T108 VanDerWaalsContact C-N 3.27Å; E106-T108 PolarHBondContact O-N 2.97Å; E106-T108 PolarHBondContact O-OG1 2.92Å; E106-T108 VanDerWaalsContact O-OG1 3.09Å | ||
| 107 | P | 36.8 | Very low | 48.5 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 80% | 0.799 | 66% | 0.656 | S | S | * | * | trans | -67.7 | 91.1 | 178.5 | 29 | -31.6 | 0 | 0 | 0 | 108.1 | Y109 | P107-Y109 PolarHBondContact O-N 3.22Å; P107-Y109 VanDerWaalsContact O-N 3.14Å | ||
| 108 | T | 46.8 | Very low | 51.2 | Low | 96 Ų | 96 | 119.1 Ų | 119.1 | 59% | 0.589 | 64% | 0.636 | S | S | * | * | trans | -73.9 | 111.5 | -177.3 | -32.1 | 0 | 0 | 0 | 0 | 107.4 | E106 A112 | E106-T108 VanDerWaalsContact C-N 3.27Å; E106-T108 PolarHBondContact O-N 2.97Å; E106-T108 PolarHBondContact O-OG1 2.92Å; E106-T108 VanDerWaalsContact O-OG1 3.09Å; T108-A112 HydrophobicContact CG2-CB 4.17Å | ||
| 109 | Y | 56.1 | Low | 53.6 | Low | 129 Ų | 129 | 112 Ų | 112 | 51% | 0.506 | 60% | 0.598 | S | S | . | * | trans | -33.3 | 137.8 | -177 | -50.4 | -89.2 | 0 | 0 | 0 | 114.9 | P107 A111 A112 H275 | P107-Y109 PolarHBondContact O-N 3.22Å; P107-Y109 VanDerWaalsContact O-N 3.14Å; Y109-A111 PolarHBondContact O-N 3.22Å; Y109-A112 WeakPolarHBondContact O-CB 3.34Å; Y109-A112 PolarHBondContact O-N 3.4Å; Y109-H275 AromaticContact CE1-CE1 3.4Å; Y109-H275 WeakPolarHBondContact CE1-CE1 3.14Å; Y109-H275 AromaticContact CE1-CG 3.78Å; Y109-H275 AromaticContact CE1-ND1 3.28Å; Y109-H275 VanDerWaalsContact CE1-ND1 3.28Å; Y109-H275 WeakPolarHBondContact CE1-ND1 3.39Å; Y109-H275 AromaticContact CE1-NE2 3.92Å; Y109-H275 AromaticContact CZ-CE1 3.59Å; Y109-H275 AromaticContact CZ-ND1 3.35Å; Y109-H275 PolarHBondContact OH-CE1 3.04Å; Y109-H275 PolarHBondContact OH-ND1 2.75Å | ||
| 110 | A | 51.9 | Low | 56.5 | Low | 73 Ų | 73 | 106.8 Ų | 106.8 | 60% | 0.603 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -52 | -28 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 111 | A | 53.4 | Low | 59.3 | Low | 13 Ų | 13 | 104.7 Ų | 104.7 | 11% | 0.107 | 57% | 0.57 | C | S | . | * | G | 310 helix | trans | -76.1 | -23.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y66 Y69 Y109 Y113 L114 | Y66-A111 HydrophobicContact CD1-CB 3.86Å; Y66-A111 HydrophobicContact CE1-CB 3.89Å; Y66-A111 HydrophobicContact CG-CB 4.33Å; Y69-A111 HydrophobicContact CD1-CB 4.39Å; Y69-A111 HydrophobicContact CD2-CB 4.24Å; Y69-A111 HydrophobicContact CG-CB 4.17Å; Y109-A111 PolarHBondContact O-N 3.22Å; A111-Y113 PolarHBondContact O-N 2.03Å; A111-L114 PolarHBondContact O-N 3.06Å |
| 112 | A | 53.2 | Low | 61.7 | Low | 65 Ų | 65 | 100.1 Ų | 100.1 | 54% | 0.537 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -66.9 | -17.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | T108 Y109 | T108-A112 HydrophobicContact CG2-CB 4.17Å; Y109-A112 WeakPolarHBondContact O-CB 3.34Å; Y109-A112 PolarHBondContact O-N 3.4Å |
| 113 | Y | 55.8 | Low | 64.6 | Low | 198 Ų | 198 | 100.9 Ų | 100.9 | 78% | 0.776 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -90 | -4.8 | 177.7 | -97.3 | -92.7 | 0 | 0 | 0 | 114.7 | A111 N115 | A111-Y113 PolarHBondContact O-N 2.03Å; Y113-N115 PolarHBondContact O-N 3.45Å |
| 114 | L | 68.1 | Low | 67.2 | Low | 49 Ų | 49 | 94.5 Ų | 94.5 | 26% | 0.257 | 51% | 0.51 | S | S | . | . | trans | -78.2 | 89.8 | -179.5 | -67.4 | 173.7 | 0 | 0 | 0 | 110.6 | M62 Y66 A111 L116 L119 | M62-L114 HydrophobicContact CE-CD1 3.46Å; M62-L114 VanDerWaalsContact CE-CD1 3.46Å; M62-L114 HydrophobicContact SD-CD1 4.18Å; Y66-L114 HydrophobicContact CD2-CD1 3.98Å; Y66-L114 HydrophobicContact CE2-CD1 3.8Å; A111-L114 PolarHBondContact O-N 3.06Å; L114-L116 PolarHBondContact O-N 2.03Å; L114-L119 HydrophobicContact CB-CD1 4.46Å | ||
| 115 | N | 77.2 | Confident | 70.2 | Confident | 88 Ų | 88 | 95 Ų | 95 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | trans | -63 | 128.9 | 175.4 | -175.6 | -26.8 | 0 | 0 | 0 | 110.8 | Y113 D117 V118 L119 | Y113-N115 PolarHBondContact O-N 3.45Å; N115-D117 PolarHBondContact O-N 3.3Å; N115-D117 PolarHBondContact OD1-N 2.93Å; N115-V118 HydrophobicContact CB-CB 4.33Å; N115-V118 HydrophobicContact CB-CG2 3.92Å; N115-V118 WeakPolarHBondContact O-CB 3.44Å; N115-V118 PolarHBondContact O-N 2.9Å; N115-L119 PolarHBondContact O-N 3.21Å; N115-L119 VanDerWaalsContact O-N 3.11Å | ||
| 116 | L | 80.8 | Confident | 72.5 | Confident | 71 Ų | 71 | 88.9 Ų | 88.9 | 37% | 0.372 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -53.1 | -36 | 178.2 | -74.8 | 173 | 0 | 0 | 0 | 113.1 | L73 L114 L119 K120 | L73-L116 HydrophobicContact CD1-CD2 3.67Å; L73-L116 HydrophobicContact CD2-CD2 3.66Å; L73-L116 HydrophobicContact CG-CD2 3.92Å; L114-L116 PolarHBondContact O-N 2.03Å; L116-L119 PolarHBondContact O-N 3.48Å; L116-K120 WeakPolarHBondContact O-CG 3.34Å; L116-K120 PolarHBondContact O-N 2.02Å |
| 117 | D | 82.3 | Confident | 75.2 | Confident | 98 Ų | 98 | 88.4 Ų | 88.4 | 52% | 0.524 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -73 | -31.9 | -179.3 | -63.3 | -34 | 0 | 0 | 0 | 111.9 | N115 K120 S121 | N115-D117 PolarHBondContact O-N 3.3Å; N115-D117 PolarHBondContact OD1-N 2.93Å; D117-K120 IonicContact OD1-NZ 3.93Å; D117-K120 PolarHBondContact OD1-NZ 3.46Å; D117-S121 WeakPolarHBondContact O-CB 2.98Å; D117-S121 PolarHBondContact O-N 2.9Å |
| 118 | V | 87.4 | Confident | 78 | Confident | 76 Ų | 76 | 86.8 Ų | 86.8 | 46% | 0.461 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.9 | -45.5 | 171.5 | 176.1 | 0 | 0 | 0 | 0 | 110.1 | N115 K120 S121 I122 | N115-V118 HydrophobicContact CB-CB 4.33Å; N115-V118 HydrophobicContact CB-CG2 3.92Å; N115-V118 WeakPolarHBondContact O-CB 3.44Å; N115-V118 PolarHBondContact O-N 2.9Å; V118-K120 VanDerWaalsContact C-N 3.35Å; V118-K120 PolarHBondContact O-N 2.84Å; V118-S121 WeakPolarHBondContact O-CB 3.33Å; V118-S121 PolarHBondContact O-N 3.42Å; V118-S121 VanDerWaalsContact O-N 3.12Å; V118-I122 HydrophobicContact CG1-CD1 3.91Å; V118-I122 HydrophobicContact CG1-CG1 4.45Å; V118-I122 WeakPolarHBondContact O-CG1 3.29Å; V118-I122 PolarHBondContact O-N 2.74Å |
| 119 | L | 87.7 | Confident | 80.3 | Confident | 11 Ų | 11 | 85.2 Ų | 85.2 | 6% | 0.058 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 177.6 | -66 | 178.8 | 0 | 0 | 0 | 112.4 | V58 M62 W70 L114 N115 L116 S121 I122 E123 | V58-L119 HydrophobicContact CG1-CD2 4.2Å; M62-L119 HydrophobicContact SD-CD2 4.17Å; W70-L119 HydrophobicContact CH2-CD1 4.33Å; W70-L119 HydrophobicContact CZ3-CD1 3.63Å; L114-L119 HydrophobicContact CB-CD1 4.46Å; N115-L119 PolarHBondContact O-N 3.21Å; N115-L119 VanDerWaalsContact O-N 3.11Å; L116-L119 PolarHBondContact O-N 3.48Å; L119-S121 VanDerWaalsContact C-N 3.33Å; L119-S121 PolarHBondContact O-N 3.34Å; L119-I122 HydrophobicContact CD2-CD1 4.44Å; L119-I122 PolarHBondContact O-N 2.89Å; L119-E123 WeakPolarHBondContact O-CB 3.5Å; L119-E123 PolarHBondContact O-N 3.45Å |
| 120 | K | 88.8 | Confident | 82.2 | Confident | 126 Ų | 126 | 83.4 Ų | 83.4 | 55% | 0.548 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 172.5 | -72.8 | 171.9 | -170.3 | 162.4 | 0 | 112.1 | L116 D117 V118 E123 L124 | L116-K120 WeakPolarHBondContact O-CG 3.34Å; L116-K120 PolarHBondContact O-N 2.02Å; D117-K120 IonicContact OD1-NZ 3.93Å; D117-K120 PolarHBondContact OD1-NZ 3.46Å; V118-K120 VanDerWaalsContact C-N 3.35Å; V118-K120 PolarHBondContact O-N 2.84Å; K120-E123 PolarHBondContact O-N 3.31Å; K120-L124 WeakPolarHBondContact O-CB 3.45Å; K120-L124 PolarHBondContact O-N 3.14Å |
| 121 | S | 92.4 | Very high | 84.4 | Confident | 67 Ų | 67 | 81 Ų | 81 | 47% | 0.469 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 176.2 | -171.5 | 0 | 0 | 0 | 0 | 111.3 | D117 V118 L119 L124 E125 | D117-S121 WeakPolarHBondContact O-CB 2.98Å; D117-S121 PolarHBondContact O-N 2.9Å; V118-S121 WeakPolarHBondContact O-CB 3.33Å; V118-S121 PolarHBondContact O-N 3.42Å; V118-S121 VanDerWaalsContact O-N 3.12Å; L119-S121 VanDerWaalsContact C-N 3.33Å; L119-S121 PolarHBondContact O-N 3.34Å; S121-L124 WeakPolarHBondContact O-CB 3.49Å; S121-L124 PolarHBondContact O-N 2.78Å; S121-E125 PolarHBondContact O-N 2.74Å |
| 122 | I | 91.5 | Very high | 86.5 | Confident | 75 Ų | 75 | 83.5 Ų | 83.5 | 39% | 0.385 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 176.9 | -64.7 | 165.4 | 0 | 0 | 0 | 110.4 | V58 V118 L119 L124 E125 W126 | V58-I122 HydrophobicContact CG2-CB 4.23Å; V58-I122 HydrophobicContact CG2-CG2 3.69Å; V118-I122 HydrophobicContact CG1-CD1 3.91Å; V118-I122 HydrophobicContact CG1-CG1 4.45Å; V118-I122 WeakPolarHBondContact O-CG1 3.29Å; V118-I122 PolarHBondContact O-N 2.74Å; L119-I122 HydrophobicContact CD2-CD1 4.44Å; L119-I122 PolarHBondContact O-N 2.89Å; I122-L124 VanDerWaalsContact C-N 3.29Å; I122-L124 PolarHBondContact O-N 3.14Å; I122-E125 PolarHBondContact O-N 3.05Å; I122-W126 HydrophobicContact CG2-CE3 4.37Å; I122-W126 PolarHBondContact O-N 2.96Å |
| 123 | E | 92.2 | Very high | 88.6 | Confident | 118 Ų | 118 | 82.2 Ų | 82.2 | 55% | 0.551 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -60.4 | -40.5 | 177.2 | -175 | 176.9 | -175.4 | 0 | 0 | 111.8 | V58 L119 K120 W126 R127 | V58-E123 HydrophobicContact CB-CB 4.4Å; V58-E123 HydrophobicContact CG2-CB 3.84Å; L119-E123 WeakPolarHBondContact O-CB 3.5Å; L119-E123 PolarHBondContact O-N 3.45Å; K120-E123 PolarHBondContact O-N 3.31Å; E123-W126 PolarHBondContact O-N 3.01Å; E123-R127 WeakPolarHBondContact O-CB 3.36Å; E123-R127 PolarHBondContact O-N 3.2Å |
| 124 | L | 94.4 | Very high | 90.6 | Very high | 66 Ų | 66 | 76.2 Ų | 76.2 | 35% | 0.346 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 175.5 | 178.7 | 62.3 | 0 | 0 | 0 | 111.9 | K120 S121 I122 R127 K128 | K120-L124 WeakPolarHBondContact O-CB 3.45Å; K120-L124 PolarHBondContact O-N 3.14Å; S121-L124 WeakPolarHBondContact O-CB 3.49Å; S121-L124 PolarHBondContact O-N 2.78Å; I122-L124 VanDerWaalsContact C-N 3.29Å; I122-L124 PolarHBondContact O-N 3.14Å; L124-R127 PolarHBondContact O-N 3.17Å; L124-K128 HydrophobicContact CD1-CG 4.46Å; L124-K128 HydrophobicContact CG-CD 4.36Å; L124-K128 WeakPolarHBondContact O-CB 3.05Å; L124-K128 VanDerWaalsContact O-CG 3.29Å; L124-K128 WeakPolarHBondContact O-CG 3.02Å; L124-K128 PolarHBondContact O-N 2.88Å |
| 125 | E | 95.4 | Very high | 92 | Very high | 87 Ų | 87 | 79.8 Ų | 79.8 | 41% | 0.407 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.1 | -39.4 | 176.8 | -71.5 | -51.3 | 127.7 | 0 | 0 | 112.1 | S121 I122 R127 K128 T129 | S121-E125 PolarHBondContact O-N 2.74Å; I122-E125 PolarHBondContact O-N 3.05Å; E125-R127 PolarHBondContact O-N 2.87Å; E125-K128 PolarHBondContact O-N 3.41Å; E125-K128 IonicContact OE1-NZ 3.52Å; E125-K128 PolarHBondContact OE1-NZ 3.32Å; E125-T129 WeakPolarHBondContact O-CB 2.97Å; E125-T129 WeakPolarHBondContact O-CG2 2.98Å; E125-T129 PolarHBondContact O-N 2.9Å; E125-T129 PolarHBondContact O-OG1 3.31Å |
| 126 | W | 94.3 | Very high | 93 | Very high | 81 Ų | 81 | 78.5 Ų | 78.5 | 31% | 0.307 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.4 | -48.1 | 174.1 | -147.5 | -56.9 | 0 | 0 | 0 | 111.5 | A55 S56 V58 L61 I122 E123 K128 T129 Q130 | A55-W126 VanDerWaalsContact O-CZ2 3.22Å; A55-W126 WeakPolarHBondContact O-CZ2 3.45Å; S56-W126 PolarHBondContact O-NE1 3.41Å; V58-W126 HydrophobicContact CG2-CE3 4.22Å; L61-W126 HydrophobicContact CD2-CZ3 4.23Å; I122-W126 HydrophobicContact CG2-CE3 4.37Å; I122-W126 PolarHBondContact O-N 2.96Å; E123-W126 PolarHBondContact O-N 3.01Å; W126-K128 VanDerWaalsContact C-N 3.34Å; W126-K128 PolarHBondContact O-N 3.15Å; W126-T129 PolarHBondContact O-N 3.47Å; W126-T129 PolarHBondContact O-OG1 3.39Å; W126-Q130 PolarHBondContact O-N 3.04Å |
| 127 | R | 93.3 | Very high | 93.8 | Very high | 146 Ų | 146 | 79.8 Ų | 79.8 | 55% | 0.551 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.6 | -38.1 | 177.1 | -172.3 | -177.3 | 66.2 | 82.9 | -1.8 | 112.3 | E123 L124 E125 T129 Q130 | E123-R127 WeakPolarHBondContact O-CB 3.36Å; E123-R127 PolarHBondContact O-N 3.2Å; L124-R127 PolarHBondContact O-N 3.17Å; E125-R127 PolarHBondContact O-N 2.87Å; R127-T129 VanDerWaalsContact C-N 3.32Å; R127-Q130 VanDerWaalsContact O-CG 3.29Å; R127-Q130 WeakPolarHBondContact O-CG 3.36Å |
| 128 | K | 95.1 | Very high | 94.5 | Very high | 90 Ų | 90 | 75.8 Ų | 75.8 | 39% | 0.391 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -70.1 | -28.5 | 178.3 | -78.8 | 176.3 | -172 | 165.9 | 0 | 112.8 | L124 E125 W126 R134 | L124-K128 HydrophobicContact CD1-CG 4.46Å; L124-K128 HydrophobicContact CG-CD 4.36Å; L124-K128 WeakPolarHBondContact O-CB 3.05Å; L124-K128 VanDerWaalsContact O-CG 3.29Å; L124-K128 WeakPolarHBondContact O-CG 3.02Å; L124-K128 PolarHBondContact O-N 2.88Å; E125-K128 PolarHBondContact O-N 3.41Å; E125-K128 IonicContact OE1-NZ 3.52Å; E125-K128 PolarHBondContact OE1-NZ 3.32Å; W126-K128 VanDerWaalsContact C-N 3.34Å; W126-K128 PolarHBondContact O-N 3.15Å; K128-R134 VanDerWaalsContact O-CZ 3.24Å; K128-R134 PolarHBondContact O-NH1 3Å; K128-R134 PolarHBondContact O-NH2 3.31Å |
| 129 | T | 95.9 | Very high | 94.9 | Very high | 62 Ų | 62 | 75.1 Ų | 75.1 | 38% | 0.38 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -100.2 | -7.6 | -174.7 | 54.5 | 0 | 0 | 0 | 0 | 113.7 | E125 W126 R127 G164 C165 | E125-T129 WeakPolarHBondContact O-CB 2.97Å; E125-T129 WeakPolarHBondContact O-CG2 2.98Å; E125-T129 PolarHBondContact O-N 2.9Å; E125-T129 PolarHBondContact O-OG1 3.31Å; W126-T129 PolarHBondContact O-N 3.47Å; W126-T129 PolarHBondContact O-OG1 3.39Å; R127-T129 VanDerWaalsContact C-N 3.32Å; T129-G164 CarbonylContact O-C 3.5Å; T129-G164 WeakPolarHBondContact O-CA 3.45Å; T129-C165 PolarHBondContact O-N 2.83Å |
| 130 | Q | 95.4 | Very high | 95.3 | Very high | 92 Ų | 92 | 74.6 Ų | 74.6 | 43% | 0.43 | 37% | 0.371 | S | S | . | . | B | Isolated β-bridge | trans | -58 | 153.5 | 178.8 | 77.8 | -170.9 | 16.9 | 0 | 0 | 114.3 | W126 R127 M132 R134 | W126-Q130 PolarHBondContact O-N 3.04Å; R127-Q130 VanDerWaalsContact O-CG 3.29Å; R127-Q130 WeakPolarHBondContact O-CG 3.36Å; Q130-M132 HydrophobicContact CG-SD 4.38Å; Q130-M132 PolarHBondContact O-N 3.2Å; Q130-M132 VanDerWaalsContact O-N 3.12Å; Q130-R134 PolarHBondContact O-NH2 3.13Å |
| 131 | C | 97.6 | Very high | 95.5 | Very high | 21 Ų | 21 | 69.5 Ų | 69.5 | 14% | 0.142 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -61 | 109.5 | 175.3 | 176.2 | 0 | 0 | 0 | 0 | 112.2 | G163 C165 C173 C211 | C131-G163 WeakPolarHBondContact CA-O 3.28Å; C131-C165 PolarHBondContact N-O 3.48Å; C131-C173 VanDerWaalsContact CA-SG 3.51Å; C131-C173 HydrophobicContact CB-CB 3.74Å; C131-C173 WeakPolarHBondContact CB-SG 3.41Å; C131-C173 WeakPolarHBondContact SG-CA 3.48Å; C131-C173 WeakPolarHBondContact SG-CB 3.33Å; C131-C173 CovalentContact SG-SG 2.03Å; C131-C173 PolarHBondContact SG-SG 3.23Å; C131-C211 VanDerWaalsContact CB-SG 3.58Å |
| 132 | M | 97.3 | Very high | 95.6 | Very high | 67 Ų | 67 | 76.3 Ų | 76.3 | 33% | 0.33 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 165.8 | 177.7 | 68.4 | -177.1 | -174 | 0 | 0 | 111.6 | Q130 R134 G163 C209 | Q130-M132 HydrophobicContact CG-SD 4.38Å; Q130-M132 PolarHBondContact O-N 3.2Å; Q130-M132 VanDerWaalsContact O-N 3.12Å; M132-R134 HydrophobicContact CG-CG 4.27Å; M132-R134 PolarHBondContact O-N 2.86Å; M132-G163 PolarHBondContact N-O 3.33Å; M132-G163 PolarHBondContact O-N 3.49Å; M132-G163 VanDerWaalsContact O-N 3.09Å; M132-G163 VanDerWaalsContact O-O 3.05Å; M132-C209 VanDerWaalsContact C-SG 3.52Å |
| 133 | P | 98.2 | Very high | 95.6 | Very high | 38 Ų | 38 | 77.1 Ų | 77.1 | 25% | 0.247 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 128.4 | 170.8 | -20.1 | 31.6 | 0 | 0 | 0 | 110.7 | Y160 R161 C209 | P133-Y160 HydrophobicContact CB-CD1 4.03Å; P133-R161 CarbonylContact C-O 3.37Å; P133-R161 WeakPolarHBondContact CA-O 3.46Å; P133-C209 VanDerWaalsContact CD-SG 3.53Å |
| 134 | R | 97.8 | Very high | 95.6 | Very high | 71 Ų | 71 | 76 Ų | 76 | 27% | 0.268 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 139.4 | 179.3 | -65.5 | 173.4 | -171.9 | -90 | -5 | 109.6 | K128 Q130 M132 V136 Y160 R161 G163 | K128-R134 VanDerWaalsContact O-CZ 3.24Å; K128-R134 PolarHBondContact O-NH1 3Å; K128-R134 PolarHBondContact O-NH2 3.31Å; Q130-R134 PolarHBondContact O-NH2 3.13Å; M132-R134 HydrophobicContact CG-CG 4.27Å; M132-R134 PolarHBondContact O-N 2.86Å; R134-V136 PolarHBondContact O-N 3.31Å; R134-Y160 CarbonylContact O-C 3.41Å; R134-Y160 WeakPolarHBondContact O-CA 3.03Å; R134-R161 PolarHBondContact N-O 3.45Å; R134-R161 PolarHBondContact O-N 3.37Å; R134-G163 PolarHBondContact NE-O 3.44Å |
| 135 | E | 97.6 | Very high | 95.4 | Very high | 124 Ų | 124 | 75.9 Ų | 75.9 | 58% | 0.579 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 126.5 | 175.8 | -169.1 | 175.1 | -170.7 | 0 | 0 | 109.8 | S158 Y160 | E135-S158 WeakPolarHBondContact CG-OG 2.91Å; E135-S158 PolarHBondContact OE1-OG 3.48Å; E135-Y160 HydrophobicContact CB-CE1 4.15Å; E135-Y160 HydrophobicContact CB-CE2 4.47Å |
| 136 | V | 97.7 | Very high | 95.2 | Very high | 61 Ų | 61 | 73 Ų | 73 | 37% | 0.37 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 154.4 | -179.9 | -62.6 | 0 | 0 | 0 | 0 | 110.7 | R134 V138 V159 R161 | R134-V136 PolarHBondContact O-N 3.31Å; V136-V138 HydrophobicContact CG2-CG2 4.04Å; V136-V159 PolarHBondContact N-O 2.73Å; V136-V159 PolarHBondContact O-N 2.79Å; V136-V159 VanDerWaalsContact O-N 3.13Å; V136-R161 HydrophobicContact CG2-CB 3.64Å; V136-R161 HydrophobicContact CG2-CG 3.35Å |
| 137 | C | 97.4 | Very high | 95.1 | Very high | 99 Ų | 99 | 72.9 Ų | 72.9 | 67% | 0.669 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 112.6 | 175.3 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | C156 | C137-C156 WeakPolarHBondContact SG-CB 3.2Å |
| 138 | V | 96.9 | Very high | 95 | Very high | 13 Ų | 13 | 72.4 Ų | 72.4 | 8% | 0.079 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 126.4 | -179.8 | 177.6 | 0 | 0 | 0 | 0 | 109.9 | V136 V140 E143 C156 V157 V159 R161 | V136-V138 HydrophobicContact CG2-CG2 4.04Å; V138-V140 PolarHBondContact O-N 3.33Å; V138-E143 HydrophobicContact CG1-CB 3.92Å; V138-E143 HydrophobicContact CG1-CG 4.03Å; V138-C156 CarbonylContact O-C 3.31Å; V138-C156 WeakPolarHBondContact O-CA 3.15Å; V138-C156 WeakPolarHBondContact O-CB 3.42Å; V138-V157 HydrophobicContact CB-CG2 4.25Å; V138-V157 PolarHBondContact N-O 2.93Å; V138-V157 PolarHBondContact O-N 2.87Å; V138-V159 HydrophobicContact CB-CG2 4.2Å; V138-V159 HydrophobicContact CG2-CG2 3.44Å; V138-V159 VanDerWaalsContact CG2-CG2 3.44Å; V138-R161 HydrophobicContact CG2-CG 4.48Å |
| 139 | D | 96.7 | Very high | 94.8 | Very high | 63 Ų | 63 | 71.4 Ų | 71.4 | 34% | 0.337 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 115.8 | 171.9 | -178.7 | -32.6 | 0 | 0 | 0 | 109.7 | G141 R142 E143 | D139-G141 PolarHBondContact OD1-N 3.45Å; D139-R142 HydrophobicContact CB-CB 4.14Å; D139-R142 HydrophobicContact CB-CG 4.23Å; D139-R142 PolarHBondContact OD1-N 3.37Å; D139-R142 VanDerWaalsContact OD2-CD 3.32Å; D139-R142 WeakPolarHBondContact OD2-CD 3.43Å; D139-R142 WeakPolarHBondContact OD2-CG 3.42Å; D139-E143 VanDerWaalsContact O-CB 3.31Å; D139-E143 WeakPolarHBondContact O-CB 3.23Å; D139-E143 PolarHBondContact O-N 2.98Å |
| 140 | V | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67 | -41.9 | -176.1 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | V138 R142 E143 F144 Y152 P155 V157 L185 I201 | V138-V140 PolarHBondContact O-N 3.33Å; V140-R142 VanDerWaalsContact C-N 3.3Å; V140-R142 PolarHBondContact O-N 3.48Å; V140-E143 PolarHBondContact O-N 3.42Å; V140-F144 HydrophobicContact CG1-CD2 3.86Å; V140-F144 HydrophobicContact CG1-CE2 4.29Å; V140-F144 WeakPolarHBondContact O-CD2 3.16Å; V140-F144 PolarHBondContact O-N 3.4Å; V140-Y152 HydrophobicContact CB-CD2 4.1Å; V140-Y152 HydrophobicContact CB-CG 4.31Å; V140-Y152 HydrophobicContact CG1-CD1 4.25Å; V140-Y152 HydrophobicContact CG1-CD2 3.61Å; V140-Y152 HydrophobicContact CG1-CE1 4.5Å; V140-Y152 HydrophobicContact CG1-CE2 3.89Å; V140-Y152 HydrophobicContact CG1-CG 3.81Å; V140-P155 PolarHBondContact N-O 2.96Å; V140-V157 HydrophobicContact CG2-CB 4.42Å; V140-V157 HydrophobicContact CG2-CG1 3.75Å; V140-V157 HydrophobicContact CG2-CG2 3.98Å; V140-L185 HydrophobicContact CG2-CD2 3.98Å; V140-I201 HydrophobicContact CB-CD1 4.28Å; V140-I201 HydrophobicContact CG1-CD1 3.5Å; V140-I201 VanDerWaalsContact CG1-CD1 3.5Å; V140-I201 HydrophobicContact CG2-CD1 3.74Å |
| 141 | G | 93 | Very high | 94.4 | Very high | 19 Ų | 19 | 70 Ų | 70 | 20% | 0.196 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.7 | -41.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D139 G145 A146 | D139-G141 PolarHBondContact OD1-N 3.45Å; G141-G145 PolarHBondContact O-N 3.27Å; G141-G145 VanDerWaalsContact O-N 3.14Å; G141-A146 PolarHBondContact O-N 2.9Å |
| 142 | R | 93.6 | Very high | 94.2 | Very high | 210 Ų | 210 | 70.5 Ų | 70.5 | 79% | 0.792 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -72.6 | -40.5 | 177.9 | -64.2 | -177.7 | 75 | -173.2 | 3.6 | 113 | D139 V140 | D139-R142 HydrophobicContact CB-CB 4.14Å; D139-R142 HydrophobicContact CB-CG 4.23Å; D139-R142 PolarHBondContact OD1-N 3.37Å; D139-R142 VanDerWaalsContact OD2-CD 3.32Å; D139-R142 WeakPolarHBondContact OD2-CD 3.43Å; D139-R142 WeakPolarHBondContact OD2-CG 3.42Å; V140-R142 VanDerWaalsContact C-N 3.3Å; V140-R142 PolarHBondContact O-N 3.48Å |
| 143 | E | 93 | Very high | 94.1 | Very high | 92 Ų | 92 | 72.7 Ų | 72.7 | 43% | 0.43 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.5 | -40 | -178.3 | -170.1 | 82.1 | 166.8 | 0 | 0 | 112.2 | V138 D139 V140 R161 | V138-E143 HydrophobicContact CG1-CB 3.92Å; V138-E143 HydrophobicContact CG1-CG 4.03Å; D139-E143 VanDerWaalsContact O-CB 3.31Å; D139-E143 WeakPolarHBondContact O-CB 3.23Å; D139-E143 PolarHBondContact O-N 2.98Å; V140-E143 PolarHBondContact O-N 3.42Å; E143-R161 IonicContact OE1-CZ 2.76Å; E143-R161 VanDerWaalsContact OE1-CZ 3.24Å; E143-R161 IonicContact OE1-NH1 3.24Å; E143-R161 PolarHBondContact OE1-NH1 3.35Å; E143-R161 IonicContact OE1-NH2 3.6Å; E143-R161 PolarHBondContact OE1-NH2 3.22Å; E143-R161 IonicContact OE2-NH1 3.53Å |
| 144 | F | 90.5 | Very high | 94 | Very high | 95 Ų | 95 | 74.6 Ų | 74.6 | 42% | 0.417 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 3.1 | -178.1 | -68 | -87.9 | 0 | 0 | 0 | 113.7 | V140 I201 S202 V203 | V140-F144 HydrophobicContact CG1-CD2 3.86Å; V140-F144 HydrophobicContact CG1-CE2 4.29Å; V140-F144 WeakPolarHBondContact O-CD2 3.16Å; V140-F144 PolarHBondContact O-N 3.4Å; F144-I201 HydrophobicContact CE2-CB 4.45Å; F144-I201 HydrophobicContact CE2-CD1 3.84Å; F144-I201 HydrophobicContact CZ-CB 4.28Å; F144-I201 HydrophobicContact CZ-CD1 4.38Å; F144-S202 VanDerWaalsContact CZ-O 3.31Å; F144-S202 WeakPolarHBondContact CZ-O 3.25Å; F144-V203 HydrophobicContact CE2-CG2 4.18Å; F144-V203 HydrophobicContact CZ-CG2 4.16Å |
| 145 | G | 92.1 | Very high | 93.9 | Very high | 62 Ų | 62 | 74.3 Ų | 74.3 | 64% | 0.639 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 41.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | G141 | G141-G145 PolarHBondContact O-N 3.27Å; G141-G145 VanDerWaalsContact O-N 3.14Å |
| 146 | A | 90.6 | Very high | 93.9 | Very high | 28 Ų | 28 | 70.5 Ų | 70.5 | 23% | 0.231 | 40% | 0.395 | C | S | . | . | trans | -60.8 | 139 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G141 Y152 | G141-A146 PolarHBondContact O-N 2.9Å; A146-Y152 HydrophobicContact CB-CE2 3.86Å | ||
| 147 | P | 91.9 | Very high | 93.9 | Very high | 78 Ų | 78 | 68.1 Ų | 68.1 | 51% | 0.506 | 38% | 0.38 | S | S | . | . | trans | -55.8 | 154.4 | 172 | -26.8 | 36 | 0 | 0 | 0 | 112.6 | N149 V150 | P147-N149 WeakPolarHBondContact CB-OD1 3.41Å; P147-N149 PolarHBondContact O-N 2.68Å; P147-V150 HydrophobicContact CB-CG2 4.2Å; P147-V150 HydrophobicContact CG-CG2 4.25Å; P147-V150 PolarHBondContact O-N 3.19Å | ||
| 148 | T | 90.1 | Very high | 93.9 | Very high | 136 Ų | 136 | 65.8 Ų | 65.8 | 83% | 0.834 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -17.9 | -179.5 | 53.2 | 0 | 0 | 0 | 0 | 114.1 | F151 | T148-F151 WeakPolarHBondContact O-CZ 3.46Š|
| 149 | N | 90.9 | Very high | 93.9 | Very high | 68 Ų | 68 | 65.2 Ų | 65.2 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 3.1 | 177.7 | 68.9 | -48.9 | 0 | 0 | 0 | 113.7 | P147 T189 V190 | P147-N149 WeakPolarHBondContact CB-OD1 3.41Å; P147-N149 PolarHBondContact O-N 2.68Å; N149-T189 WeakPolarHBondContact ND2-CG2 3.43Å; N149-T189 CarbonylContact O-C 3.41Å; N149-T189 VanDerWaalsContact O-CA 3.28Å; N149-T189 WeakPolarHBondContact O-CA 3.41Å; N149-V190 WeakPolarHBondContact CB-O 3.29Å; N149-V190 PolarHBondContact O-N 2.89Å |
| 150 | V | 91.4 | Very high | 94 | Very high | 20 Ų | 20 | 67 Ų | 67 | 12% | 0.121 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 130.9 | 179.2 | 179.2 | 0 | 0 | 0 | 0 | 110 | P147 Y152 E187 I188 T189 | P147-V150 HydrophobicContact CB-CG2 4.2Å; P147-V150 HydrophobicContact CG-CG2 4.25Å; P147-V150 PolarHBondContact O-N 3.19Å; V150-Y152 HydrophobicContact CG1-CE2 4.33Å; V150-E187 HydrophobicContact CG1-CG 3.6Å; V150-I188 CarbonylContact C-O 3.34Å; V150-I188 WeakPolarHBondContact CA-O 3.22Å; V150-T189 HydrophobicContact CG2-CG2 4.18Å |
| 151 | F | 92.3 | Very high | 94.1 | Very high | 106 Ų | 106 | 69.1 Ų | 69.1 | 47% | 0.465 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 144 | 179.6 | -55.2 | -83.5 | 0 | 0 | 0 | 111.2 | T148 I188 V190 | T148-F151 WeakPolarHBondContact O-CZ 3.46Å; F151-I188 PolarHBondContact N-O 3.23Å; F151-I188 PolarHBondContact O-N 2.64Å; F151-V190 HydrophobicContact CD2-CG2 4.17Å; F151-V190 HydrophobicContact CE2-CG2 4.02Å |
| 152 | Y | 94.6 | Very high | 94.4 | Very high | 30 Ų | 30 | 69.5 Ų | 69.5 | 12% | 0.118 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 145.1 | 177.3 | -64.6 | -77.6 | 0 | 0 | 0 | 112.1 | V140 A146 V150 P154 P155 F186 E187 | V140-Y152 HydrophobicContact CB-CD2 4.1Å; V140-Y152 HydrophobicContact CB-CG 4.31Å; V140-Y152 HydrophobicContact CG1-CD1 4.25Å; V140-Y152 HydrophobicContact CG1-CD2 3.61Å; V140-Y152 HydrophobicContact CG1-CE1 4.5Å; V140-Y152 HydrophobicContact CG1-CE2 3.89Å; V140-Y152 HydrophobicContact CG1-CG 3.81Å; A146-Y152 HydrophobicContact CB-CE2 3.86Å; V150-Y152 HydrophobicContact CG1-CE2 4.33Å; Y152-P154 CarbonylContact C-O 3.53Å; Y152-P154 CarbonylContact O-C 3.59Å; Y152-P155 WeakPolarHBondContact O-CA 3.35Å; Y152-F186 CarbonylContact C-O 3.46Å; Y152-F186 VanDerWaalsContact CA-O 3.31Å; Y152-F186 WeakPolarHBondContact CA-O 2.93Å; Y152-E187 HydrophobicContact CD1-CB 4.22Å; Y152-E187 HydrophobicContact CD1-CG 4.36Å; Y152-E187 HydrophobicContact CE1-CB 3.91Å; Y152-E187 HydrophobicContact CE1-CG 3.77Å; Y152-E187 WeakPolarHBondContact CE1-OE2 3.47Å; Y152-E187 PolarHBondContact OH-OE2 3.31Å |
| 153 | K | 94.8 | Very high | 94.5 | Very high | 114 Ų | 114 | 60.5 Ų | 60.5 | 50% | 0.496 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 115.7 | 171.6 | -63.1 | -64.4 | 176.8 | -172.5 | 0 | 110.6 | F186 I188 | K153-F186 HydrophobicContact CB-CB 4.25Å; K153-F186 PolarHBondContact N-O 2.85Å; K153-F186 PolarHBondContact O-N 3.04Å; K153-I188 HydrophobicContact CG-CD1 3.83Å |
| 154 | P | 96.4 | Very high | 94.7 | Very high | 77 Ų | 77 | 57.9 Ų | 57.9 | 50% | 0.5 | 34% | 0.342 | S | S | . | . | S | Bend | cis | -62.8 | 157.6 | -7.4 | 28 | -34.1 | 0 | 0 | 0 | 112.3 | Y152 C156 L185 | Y152-P154 CarbonylContact C-O 3.53Å; Y152-P154 CarbonylContact O-C 3.59Å; P154-C156 VanDerWaalsContact C-N 3.25Å; P154-C156 PolarHBondContact O-N 3.41Å; P154-L185 HydrophobicContact CG-CD2 4.04Å; P154-L185 WeakPolarHBondContact O-CD2 3.41Å |
| 155 | P | 95.4 | Very high | 94.9 | Very high | 66 Ų | 66 | 57.5 Ų | 57.5 | 43% | 0.429 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -73.3 | -20.8 | 178.4 | 29.3 | -34.7 | 0 | 0 | 0 | 112.8 | V140 Y152 | V140-P155 PolarHBondContact N-O 2.96Å; Y152-P155 WeakPolarHBondContact O-CA 3.35Å |
| 156 | C | 97.1 | Very high | 95.1 | Very high | 44 Ų | 44 | 55.9 Ų | 55.9 | 30% | 0.297 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 157.7 | -175.1 | -53.2 | 0 | 0 | 0 | 0 | 112.4 | C137 V138 P154 | C137-C156 WeakPolarHBondContact SG-CB 3.2Å; V138-C156 CarbonylContact O-C 3.31Å; V138-C156 WeakPolarHBondContact O-CA 3.15Å; V138-C156 WeakPolarHBondContact O-CB 3.42Å; P154-C156 VanDerWaalsContact C-N 3.25Å; P154-C156 PolarHBondContact O-N 3.41Å |
| 157 | V | 97.4 | Very high | 95.1 | Very high | 11 Ų | 11 | 56.9 Ų | 56.9 | 7% | 0.067 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 145.9 | 175.2 | -67.9 | 0 | 0 | 0 | 0 | 111.2 | V138 V140 V159 K183 L185 I201 V203 | V138-V157 HydrophobicContact CB-CG2 4.25Å; V138-V157 PolarHBondContact N-O 2.93Å; V138-V157 PolarHBondContact O-N 2.87Å; V140-V157 HydrophobicContact CG2-CB 4.42Å; V140-V157 HydrophobicContact CG2-CG1 3.75Å; V140-V157 HydrophobicContact CG2-CG2 3.98Å; V157-V159 HydrophobicContact CG2-CG1 4.38Å; V157-K183 HydrophobicContact CB-CD 3.49Å; V157-K183 VanDerWaalsContact CB-CD 3.49Å; V157-K183 HydrophobicContact CG1-CB 4.34Å; V157-K183 HydrophobicContact CG1-CD 3.54Å; V157-K183 HydrophobicContact CG2-CD 4.16Å; V157-L185 HydrophobicContact CG1-CD1 4.41Å; V157-L185 HydrophobicContact CG1-CD2 3.82Å; V157-I201 HydrophobicContact CG1-CD1 4.48Å; V157-V203 HydrophobicContact CG2-CG1 4.13Å; V157-V203 HydrophobicContact CG2-CG2 4.2Å |
| 158 | S | 97.7 | Very high | 95.1 | Very high | 49 Ų | 49 | 53.6 Ų | 53.6 | 34% | 0.343 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 123.1 | 170.2 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | E135 K183 | E135-S158 WeakPolarHBondContact CG-OG 2.91Å; E135-S158 PolarHBondContact OE1-OG 3.48Å; S158-K183 WeakPolarHBondContact O-CE 3.45Å; S158-K183 PolarHBondContact O-NZ 3.31Å |
| 159 | V | 97.8 | Very high | 95 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 162.6 | 174.7 | -67 | 0 | 0 | 0 | 0 | 110.8 | V136 V138 V157 R161 V203 | V136-V159 PolarHBondContact N-O 2.73Å; V136-V159 PolarHBondContact O-N 2.79Å; V136-V159 VanDerWaalsContact O-N 3.13Å; V138-V159 HydrophobicContact CB-CG2 4.2Å; V138-V159 HydrophobicContact CG2-CG2 3.44Å; V138-V159 VanDerWaalsContact CG2-CG2 3.44Å; V157-V159 HydrophobicContact CG2-CG1 4.38Å; V159-R161 HydrophobicContact CG2-CG 4.37Å; V159-V203 HydrophobicContact CG1-CB 4.06Å; V159-V203 HydrophobicContact CG1-CG1 3.72Å; V159-V203 HydrophobicContact CG2-CG1 4.26Å |
| 160 | Y | 98.3 | Very high | 94.9 | Very high | 101 Ų | 101 | 56.2 Ų | 56.2 | 40% | 0.396 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 128.5 | 173.5 | -73.3 | -99.8 | 0 | 0 | 0 | 111.3 | P133 R134 E135 N205 H206 | P133-Y160 HydrophobicContact CB-CD1 4.03Å; R134-Y160 CarbonylContact O-C 3.41Å; R134-Y160 WeakPolarHBondContact O-CA 3.03Å; E135-Y160 HydrophobicContact CB-CE1 4.15Å; E135-Y160 HydrophobicContact CB-CE2 4.47Å; Y160-N205 WeakPolarHBondContact CB-OD1 3.46Å; Y160-N205 PolarHBondContact N-OD1 3.34Å; Y160-H206 PolarHBondContact O-N 3.04Å |
| 161 | R | 97.9 | Very high | 95 | Very high | 45 Ų | 45 | 59.4 Ų | 59.4 | 17% | 0.17 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 157 | 171 | -61.9 | -66.3 | 173.3 | 90.8 | -8 | 109.8 | P133 R134 V136 V138 E143 V159 G163 A204 | P133-R161 CarbonylContact C-O 3.37Å; P133-R161 WeakPolarHBondContact CA-O 3.46Å; R134-R161 PolarHBondContact N-O 3.45Å; R134-R161 PolarHBondContact O-N 3.37Å; V136-R161 HydrophobicContact CG2-CB 3.64Å; V136-R161 HydrophobicContact CG2-CG 3.35Å; V138-R161 HydrophobicContact CG2-CG 4.48Å; E143-R161 IonicContact OE1-CZ 2.76Å; E143-R161 VanDerWaalsContact OE1-CZ 3.24Å; E143-R161 IonicContact OE1-NH1 3.24Å; E143-R161 PolarHBondContact OE1-NH1 3.35Å; E143-R161 IonicContact OE1-NH2 3.6Å; E143-R161 PolarHBondContact OE1-NH2 3.22Å; E143-R161 IonicContact OE2-NH1 3.53Å; V159-R161 HydrophobicContact CG2-CG 4.37Å; R161-G163 PolarHBondContact O-N 3.1Å; R161-A204 PolarHBondContact NE-O 3.1Å; R161-A204 PolarHBondContact NH2-O 3.29Å |
| 162 | C | 98.1 | Very high | 95.1 | Very high | 26 Ų | 26 | 59 Ų | 59 | 18% | 0.176 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 128.4 | 178.6 | -68.5 | 0 | 0 | 0 | 0 | 109.4 | N175 H206 C209 | C162-N175 WeakPolarHBondContact SG-CA 3.4Å; C162-N175 PolarHBondContact SG-N 3.42Å; C162-H206 PolarHBondContact N-ND1 3.15Å; C162-H206 PolarHBondContact SG-ND1 2.86Å; C162-C209 WeakPolarHBondContact CA-SG 3.46Å; C162-C209 HydrophobicContact CB-CB 3.77Å; C162-C209 WeakPolarHBondContact CB-SG 3.41Å; C162-C209 WeakPolarHBondContact SG-CB 3.38Å; C162-C209 CovalentContact SG-SG 2.02Å; C162-C209 PolarHBondContact SG-SG 2.99Å |
| 163 | G | 96.9 | Very high | 95.2 | Very high | 21 Ų | 21 | 58.7 Ų | 58.7 | 22% | 0.216 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 163.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C131 M132 R134 R161 | C131-G163 WeakPolarHBondContact CA-O 3.28Å; M132-G163 PolarHBondContact N-O 3.33Å; M132-G163 PolarHBondContact O-N 3.49Å; M132-G163 VanDerWaalsContact O-N 3.09Å; M132-G163 VanDerWaalsContact O-O 3.05Å; R134-G163 PolarHBondContact NE-O 3.44Å; R161-G163 PolarHBondContact O-N 3.1Å |
| 164 | G | 96.4 | Very high | 95.3 | Very high | 38 Ų | 38 | 58.3 Ų | 58.3 | 39% | 0.392 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 116.7 | -178.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T129 | T129-G164 CarbonylContact O-C 3.5Å; T129-G164 WeakPolarHBondContact O-CA 3.45Å |
| 165 | C | 95.6 | Very high | 95.2 | Very high | 86 Ų | 86 | 57 Ų | 57 | 58% | 0.581 | 31% | 0.313 | S | S | * | . | B | Isolated β-bridge | trans | -100.9 | 149 | -175.1 | -61.2 | 0 | 0 | 0 | 0 | 110.9 | T129 C131 | T129-C165 PolarHBondContact O-N 2.83Å; C131-C165 PolarHBondContact N-O 3.48Å |
| 166 | C | 95.4 | Very high | 95.2 | Very high | 28 Ų | 28 | 57.7 Ų | 57.7 | 19% | 0.189 | 31% | 0.312 | C | S | . | . | trans | -100.8 | 149.3 | 168.9 | -68.7 | 0 | 0 | 0 | 0 | 109.4 | S168 K171 C173 C211 | C166-S168 VanDerWaalsContact C-N 3.3Å; C166-S168 PolarHBondContact O-N 3.08Å; C166-K171 HydrophobicContact CB-CB 3.99Å; C166-C173 PolarHBondContact SG-N 3.04Å; C166-C211 WeakPolarHBondContact CA-SG 3.43Å; C166-C211 HydrophobicContact CB-CB 3.78Å; C166-C211 WeakPolarHBondContact CB-SG 3.26Å; C166-C211 VanDerWaalsContact SG-CA 3.53Å; C166-C211 WeakPolarHBondContact SG-CB 3.49Å; C166-C211 CovalentContact SG-SG 2.03Å; C166-C211 PolarHBondContact SG-SG 3.06Å | ||
| 167 | P | 91.7 | Very high | 95.1 | Very high | 50 Ų | 50 | 57.5 Ų | 57.5 | 33% | 0.325 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -58 | -43.8 | 178.6 | -25.9 | 34.8 | 0 | 0 | 0 | 112.2 | R53 S54 | R53-P167 CarbonylContact O-C 3.53Å; S54-P167 WeakPolarHBondContact O-CB 3.35Å |
| 168 | S | 90.3 | Very high | 95 | Very high | 9 Ų | 9 | 59.2 Ų | 59.2 | 6% | 0.063 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -106.6 | 141.5 | -175.9 | -41.8 | 0 | 0 | 0 | 0 | 111.9 | C166 D170 K171 | C166-S168 VanDerWaalsContact C-N 3.3Å; C166-S168 PolarHBondContact O-N 3.08Å; S168-D170 VanDerWaalsContact C-N 3.25Å; S168-D170 WeakPolarHBondContact CB-OD1 3.35Å; S168-D170 PolarHBondContact O-N 3.27Å; S168-K171 PolarHBondContact O-N 2.97Å |
| 169 | E | 88.4 | Confident | 94.9 | Very high | 172 Ų | 172 | 58.2 Ų | 58.2 | 80% | 0.804 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -23.7 | -178.2 | -65.3 | 177.1 | -165 | 0 | 0 | 113.7 | R53 K171 | R53-E169 IonicContact NH1-OE1 3.24Å; R53-E169 PolarHBondContact NH1-OE1 3.03Å; E169-K171 PolarHBondContact O-N 3.22Å |
| 170 | D | 89.2 | Confident | 94.9 | Very high | 87 Ų | 87 | 65.6 Ų | 65.6 | 47% | 0.465 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -4.3 | 177.2 | 66.8 | -58 | 0 | 0 | 0 | 113.4 | S168 | S168-D170 VanDerWaalsContact C-N 3.25Å; S168-D170 WeakPolarHBondContact CB-OD1 3.35Å; S168-D170 PolarHBondContact O-N 3.27Å |
| 171 | K | 93.1 | Very high | 94.8 | Very high | 87 Ų | 87 | 64.3 Ų | 64.3 | 38% | 0.378 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 142.7 | -177.9 | -60.5 | -178.7 | -175.4 | 176.9 | 0 | 111.8 | C166 S168 E169 C211 L212 | C166-K171 HydrophobicContact CB-CB 3.99Å; S168-K171 PolarHBondContact O-N 2.97Å; E169-K171 PolarHBondContact O-N 3.22Å; K171-C211 HydrophobicContact CB-CB 4.09Å; K171-C211 HydrophobicContact CD-CB 4.22Å; K171-L212 WeakPolarHBondContact CA-O 3.36Å |
| 172 | Q | 95.1 | Very high | 94.7 | Very high | 98 Ų | 98 | 66.6 Ų | 66.6 | 46% | 0.458 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 136.9 | 176.8 | -167.6 | 173.3 | 36.7 | 0 | 0 | 110.9 | R174 L212 I217 | Q172-R174 HydrophobicContact CB-CG 4.42Å; Q172-R174 HydrophobicContact CG-CG 4.38Å; Q172-R174 PolarHBondContact O-N 3.01Å; Q172-R174 VanDerWaalsContact OE1-CZ 3.22Å; Q172-L212 PolarHBondContact N-O 2.89Å; Q172-L212 PolarHBondContact O-N 3.24Å; Q172-I217 HydrophobicContact CB-CD1 4.44Å |
| 173 | C | 96.7 | Very high | 94.6 | Very high | 23 Ų | 23 | 68.2 Ų | 68.2 | 16% | 0.155 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 112.2 | 174.8 | -175.1 | 0 | 0 | 0 | 0 | 110 | C131 C166 | C131-C173 VanDerWaalsContact CA-SG 3.51Å; C131-C173 HydrophobicContact CB-CB 3.74Å; C131-C173 WeakPolarHBondContact CB-SG 3.41Å; C131-C173 WeakPolarHBondContact SG-CA 3.48Å; C131-C173 WeakPolarHBondContact SG-CB 3.33Å; C131-C173 CovalentContact SG-SG 2.03Å; C131-C173 PolarHBondContact SG-SG 3.23Å; C166-C173 PolarHBondContact SG-N 3.04Å |
| 174 | R | 96.1 | Very high | 94.6 | Very high | 106 Ų | 106 | 71.6 Ų | 71.6 | 40% | 0.4 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 157.9 | -175.9 | -69.5 | -68.4 | -172.7 | 163.8 | -0.8 | 110.8 | Q172 C209 S210 L212 I217 | Q172-R174 HydrophobicContact CB-CG 4.42Å; Q172-R174 HydrophobicContact CG-CG 4.38Å; Q172-R174 PolarHBondContact O-N 3.01Å; Q172-R174 VanDerWaalsContact OE1-CZ 3.22Å; R174-C209 CarbonylContact O-C 3.58Å; R174-C209 VanDerWaalsContact O-CA 3.23Å; R174-C209 WeakPolarHBondContact O-CA 3.39Å; R174-S210 PolarHBondContact N-O 3.39Å; R174-S210 PolarHBondContact O-N 3.23Å; R174-L212 HydrophobicContact CB-CD1 4.02Å; R174-L212 HydrophobicContact CB-CG 4.45Å; R174-I217 HydrophobicContact CG-CD1 4.2Å; R174-I217 HydrophobicContact CG-CG1 4.38Å |
| 175 | N | 95.7 | Very high | 94.6 | Very high | 49 Ų | 49 | 70.1 Ų | 70.1 | 26% | 0.262 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 134.9 | 174.1 | 57.2 | -53.5 | 0 | 0 | 0 | 110.9 | C162 T178 H206 Q208 Q220 | C162-N175 WeakPolarHBondContact SG-CA 3.4Å; C162-N175 PolarHBondContact SG-N 3.42Å; N175-T178 PolarHBondContact ND2-OG1 3.11Å; N175-H206 HydrophobicContact CB-CB 4.24Å; N175-Q208 WeakPolarHBondContact CA-O 3.45Å; N175-Q220 PolarHBondContact O-NE2 3.48Å |
| 176 | I | 94.3 | Very high | 94.5 | Very high | 80 Ų | 80 | 70.9 Ų | 70.9 | 41% | 0.41 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -32.6 | 168.2 | -51.9 | 166 | 0 | 0 | 0 | 109.9 | Q208 | I176-Q208 HydrophobicContact CD1-CG 4.39Å; I176-Q208 PolarHBondContact N-O 3.16Å |
| 177 | S | 94.4 | Very high | 94.4 | Very high | 41 Ų | 41 | 72.2 Ų | 72.2 | 29% | 0.287 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 148.6 | 176.6 | 62.2 | 0 | 0 | 0 | 0 | 111.5 | T207 Q208 | S177-T207 PolarHBondContact O-N 3.41Å; S177-T207 PolarHBondContact O-OG1 2.87Å; S177-T207 PolarHBondContact OG-OG1 3.47Å; S177-Q208 PolarHBondContact N-O 3.29Å; S177-Q208 WeakPolarHBondContact OG-CB 3.39Å; S177-Q208 PolarHBondContact OG-N 2.64Å |
| 178 | T | 96.1 | Very high | 94.4 | Very high | 47 Ų | 47 | 71.6 Ų | 71.6 | 29% | 0.288 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 123.7 | -175.3 | -61.3 | 0 | 0 | 0 | 0 | 109.1 | N175 Y180 A204 | N175-T178 PolarHBondContact ND2-OG1 3.11Å; T178-Y180 HydrophobicContact CG2-CE2 4.49Å; T178-A204 HydrophobicContact CG2-CB 3.92Å |
| 179 | G | 96.2 | Very high | 94.4 | Very high | 27 Ų | 27 | 73.6 Ų | 73.6 | 28% | 0.278 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 171.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | N205 | G179-N205 PolarHBondContact N-O 2.87Å; G179-N205 PolarHBondContact O-N 3Å |
| 180 | Y | 96.5 | Very high | 94.5 | Very high | 157 Ų | 157 | 68.8 Ų | 68.8 | 62% | 0.616 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 134.7 | 173.4 | -72.7 | -94.1 | 0 | 0 | 0 | 109.3 | T178 S202 V203 A204 | T178-Y180 HydrophobicContact CG2-CE2 4.49Å; Y180-S202 WeakPolarHBondContact CB-OG 3.3Å; Y180-V203 WeakPolarHBondContact CA-O 3.42Å; Y180-A204 HydrophobicContact CD1-CB 4.36Å; Y180-A204 HydrophobicContact CE1-CB 3.98Å |
| 181 | L | 95.8 | Very high | 94.3 | Very high | 74 Ų | 74 | 69.3 Ų | 69.3 | 39% | 0.387 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 128.6 | 178.5 | -64 | 178.7 | 0 | 0 | 0 | 109.7 | V203 N205 | L181-V203 PolarHBondContact N-O 2.98Å; L181-V203 PolarHBondContact O-N 3.12Å; L181-N205 HydrophobicContact CD1-CB 3.81Å; L181-N205 HydrophobicContact CG-CB 3.82Å |
| 182 | S | 96.8 | Very high | 93.7 | Very high | 93 Ų | 93 | 71 Ų | 71 | 65% | 0.65 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 126.7 | 172.2 | -57.8 | 0 | 0 | 0 | 0 | 110.2 | I201 | S182-I201 CarbonylContact C-O 3.47Å; S182-I201 VanDerWaalsContact CA-O 3.31Å; S182-I201 WeakPolarHBondContact CA-O 3.18Å |
| 183 | K | 96.4 | Very high | 92.7 | Very high | 59 Ų | 59 | 71.7 Ų | 71.7 | 26% | 0.257 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 137.6 | 176.1 | -66.8 | -176.9 | -175.9 | -81.3 | 0 | 109.7 | V157 S158 L185 T200 I201 V203 | V157-K183 HydrophobicContact CB-CD 3.49Å; V157-K183 VanDerWaalsContact CB-CD 3.49Å; V157-K183 HydrophobicContact CG1-CB 4.34Å; V157-K183 HydrophobicContact CG1-CD 3.54Å; V157-K183 HydrophobicContact CG2-CD 4.16Å; S158-K183 WeakPolarHBondContact O-CE 3.45Å; S158-K183 PolarHBondContact O-NZ 3.31Å; K183-L185 HydrophobicContact CB-CD1 4.41Å; K183-T200 CarbonylContact O-C 3.47Å; K183-T200 WeakPolarHBondContact O-CA 3.46Å; K183-I201 HydrophobicContact CB-CG1 4.27Å; K183-I201 PolarHBondContact N-O 2.85Å; K183-I201 WeakPolarHBondContact O-CG1 3.28Å; K183-I201 PolarHBondContact O-N 3.17Å; K183-V203 HydrophobicContact CD-CG2 4.42Å |
| 184 | T | 96.6 | Very high | 91.3 | Very high | 93 Ų | 93 | 76.5 Ų | 76.5 | 57% | 0.571 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 129 | -178.6 | -53.6 | 0 | 0 | 0 | 0 | 110.2 | P198 V199 T200 | T184-P198 HydrophobicContact CG2-CB 4.13Å; T184-V199 CarbonylContact C-O 3.58Å; T184-V199 WeakPolarHBondContact CA-O 3.3Å; T184-T200 PolarHBondContact OG1-OG1 3.07Å |
| 185 | L | 95.6 | Very high | 90.2 | Very high | 6 Ų | 6 | 74.2 Ų | 74.2 | 3% | 0.031 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 163.6 | 180 | -50 | 98.6 | 0 | 0 | 0 | 109.6 | V140 P154 V157 K183 P198 V199 I201 | V140-L185 HydrophobicContact CG2-CD2 3.98Å; P154-L185 HydrophobicContact CG-CD2 4.04Å; P154-L185 WeakPolarHBondContact O-CD2 3.41Å; V157-L185 HydrophobicContact CG1-CD1 4.41Å; V157-L185 HydrophobicContact CG1-CD2 3.82Å; K183-L185 HydrophobicContact CB-CD1 4.41Å; L185-P198 CarbonylContact O-C 3.53Å; L185-P198 WeakPolarHBondContact O-CA 3.1Å; L185-V199 PolarHBondContact N-O 3Å; L185-V199 PolarHBondContact O-N 3.48Å; L185-I201 HydrophobicContact CD1-CB 4.41Å; L185-I201 HydrophobicContact CD1-CD1 3.33Å; L185-I201 HydrophobicContact CD1-CG1 3.41Å; L185-I201 VanDerWaalsContact CD1-CG1 3.41Å; L185-I201 HydrophobicContact CD1-CG2 4.22Å |
| 186 | F | 95.1 | Very high | 89.6 | Confident | 102 Ų | 102 | 75.5 Ų | 75.5 | 45% | 0.447 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 126.3 | 167.8 | -67.2 | -73 | 0 | 0 | 0 | 110.2 | Y152 K153 K197 P198 | Y152-F186 CarbonylContact C-O 3.46Å; Y152-F186 VanDerWaalsContact CA-O 3.31Å; Y152-F186 WeakPolarHBondContact CA-O 2.93Å; K153-F186 HydrophobicContact CB-CB 4.25Å; K153-F186 PolarHBondContact N-O 2.85Å; K153-F186 PolarHBondContact O-N 3.04Å; F186-K197 WeakPolarHBondContact CA-O 3.35Å; F186-P198 HydrophobicContact CD1-CB 4.38Å; F186-P198 HydrophobicContact CE1-CB 4.2Å |
| 187 | E | 93 | Very high | 89.2 | Confident | 56 Ų | 56 | 76.9 Ų | 76.9 | 26% | 0.262 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 133 | 168.6 | -170.7 | 176.6 | 112.2 | 0 | 0 | 109.5 | V150 Y152 K197 V199 | V150-E187 HydrophobicContact CG1-CG 3.6Å; Y152-E187 HydrophobicContact CD1-CB 4.22Å; Y152-E187 HydrophobicContact CD1-CG 4.36Å; Y152-E187 HydrophobicContact CE1-CB 3.91Å; Y152-E187 HydrophobicContact CE1-CG 3.77Å; Y152-E187 WeakPolarHBondContact CE1-OE2 3.47Å; Y152-E187 PolarHBondContact OH-OE2 3.31Å; E187-K197 PolarHBondContact N-O 3.16Å; E187-K197 PolarHBondContact O-N 3.32Å; E187-V199 HydrophobicContact CB-CB 4.35Å; E187-V199 HydrophobicContact CB-CG2 3.69Å |
| 188 | I | 91.1 | Very high | 89.2 | Confident | 37 Ų | 37 | 79.1 Ų | 79.1 | 19% | 0.19 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 121.7 | -178.3 | -50.4 | -174.3 | 0 | 0 | 0 | 108.6 | V150 F151 K153 L192 T196 | V150-I188 CarbonylContact C-O 3.34Å; V150-I188 WeakPolarHBondContact CA-O 3.22Å; F151-I188 PolarHBondContact N-O 3.23Å; F151-I188 PolarHBondContact O-N 2.64Å; K153-I188 HydrophobicContact CG-CD1 3.83Å; I188-L192 HydrophobicContact CG2-CD1 4.19Å; I188-T196 HydrophobicContact CD1-CG2 3.84Å; I188-T196 HydrophobicContact CG1-CG2 3.78Å |
| 189 | T | 90.6 | Very high | 89.1 | Confident | 52 Ų | 52 | 79 Ų | 79 | 32% | 0.319 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 132.7 | 177.1 | -49.6 | 0 | 0 | 0 | 0 | 110.2 | N149 V150 P191 | N149-T189 WeakPolarHBondContact ND2-CG2 3.43Å; N149-T189 CarbonylContact O-C 3.41Å; N149-T189 VanDerWaalsContact O-CA 3.28Å; N149-T189 WeakPolarHBondContact O-CA 3.41Å; V150-T189 HydrophobicContact CG2-CG2 4.18Å; T189-P191 CarbonylContact O-C 3.18Å |
| 190 | V | 89.2 | Confident | 89.1 | Confident | 71 Ų | 71 | 81.8 Ų | 81.8 | 43% | 0.43 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -108.3 | 134.9 | -178.4 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | N149 F151 L192 | N149-V190 WeakPolarHBondContact CB-O 3.29Å; N149-V190 PolarHBondContact O-N 2.89Å; F151-V190 HydrophobicContact CD2-CG2 4.17Å; F151-V190 HydrophobicContact CE2-CG2 4.02Å; V190-L192 HydrophobicContact CG2-CD1 4.37Å |
| 191 | P | 86.1 | Confident | 89 | Confident | 98 Ų | 98 | 75 Ų | 75 | 64% | 0.636 | 43% | 0.432 | S | S | * | . | S | Bend | cis | -66.7 | 149.8 | -1.9 | 28.4 | -34.1 | 0 | 0 | 0 | 112.6 | T189 T193 | T189-P191 CarbonylContact O-C 3.18Å; P191-T193 HydrophobicContact CG-CG2 4.36Å; P191-T193 PolarHBondContact O-N 3.47Å |
| 192 | L | 81.3 | Confident | 89 | Confident | 121 Ų | 121 | 74.3 Ų | 74.3 | 63% | 0.634 | 43% | 0.434 | S | S | * | . | trans | -66.3 | 82 | -179.3 | -93.3 | 81.7 | 0 | 0 | 0 | 110.6 | I188 V190 | I188-L192 HydrophobicContact CG2-CD1 4.19Å; V190-L192 HydrophobicContact CG2-CD1 4.37Å | ||
| 193 | T | 73.4 | Confident | 89 | Confident | 114 Ų | 114 | 70 Ų | 70 | 70% | 0.699 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -88.4 | -24.3 | 173.7 | 53.3 | 0 | 0 | 0 | 0 | 111.5 | P191 | P191-T193 HydrophobicContact CG-CG2 4.36Å; P191-T193 PolarHBondContact O-N 3.47Å |
| 194 | Q | 67.1 | Low | 88.9 | Confident | 123 Ų | 123 | 68 Ų | 68 | 58% | 0.575 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -133.6 | 140.6 | 177.8 | -60.2 | 178.7 | 8.8 | 0 | 0 | 107.7 | ||
| 195 | G | 73.4 | Confident | 89 | Confident | 59 Ų | 59 | 64.6 Ų | 64.6 | 61% | 0.608 | 38% | 0.376 | S | S | * | . | trans | -59.5 | 169.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K197 | G195-K197 PolarHBondContact O-N 3.18Š| ||
| 196 | T | 83.4 | Confident | 89.1 | Confident | 75 Ų | 75 | 65.8 Ų | 65.8 | 46% | 0.46 | 38% | 0.381 | S | S | . | . | trans | -63 | 122.6 | -179.9 | 58.7 | 0 | 0 | 0 | 0 | 111 | I188 | I188-T196 HydrophobicContact CD1-CG2 3.84Å; I188-T196 HydrophobicContact CG1-CG2 3.78Å | ||
| 197 | K | 85.8 | Confident | 89.2 | Confident | 109 Ų | 109 | 64.9 Ų | 64.9 | 47% | 0.474 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 132 | -178.6 | -71 | 175.6 | 177.6 | 176.9 | 0 | 110.5 | F186 E187 G195 V199 | F186-K197 WeakPolarHBondContact CA-O 3.35Å; E187-K197 PolarHBondContact N-O 3.16Å; E187-K197 PolarHBondContact O-N 3.32Å; G195-K197 PolarHBondContact O-N 3.18Å; K197-V199 PolarHBondContact O-N 3.18Å |
| 198 | P | 93.7 | Very high | 89.4 | Confident | 89 Ų | 89 | 67.4 Ų | 67.4 | 58% | 0.578 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 123.2 | 169.7 | 29 | -31.6 | 0 | 0 | 0 | 109.4 | T184 L185 F186 | T184-P198 HydrophobicContact CG2-CB 4.13Å; L185-P198 CarbonylContact O-C 3.53Å; L185-P198 WeakPolarHBondContact O-CA 3.1Å; F186-P198 HydrophobicContact CD1-CB 4.38Å; F186-P198 HydrophobicContact CE1-CB 4.2Å |
| 199 | V | 94.5 | Very high | 89.6 | Confident | 44 Ų | 44 | 66.5 Ų | 66.5 | 27% | 0.267 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 134.3 | 178.7 | 177.3 | 0 | 0 | 0 | 0 | 108.7 | T184 L185 E187 K197 I201 | T184-V199 CarbonylContact C-O 3.58Å; T184-V199 WeakPolarHBondContact CA-O 3.3Å; L185-V199 PolarHBondContact N-O 3Å; L185-V199 PolarHBondContact O-N 3.48Å; E187-V199 HydrophobicContact CB-CB 4.35Å; E187-V199 HydrophobicContact CB-CG2 3.69Å; K197-V199 PolarHBondContact O-N 3.18Å; V199-I201 HydrophobicContact CG1-CG2 4.27Å |
| 200 | T | 95.7 | Very high | 89.9 | Confident | 85 Ų | 85 | 66.1 Ų | 66.1 | 52% | 0.521 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 117.2 | 173.2 | -60.1 | 0 | 0 | 0 | 0 | 109.3 | K183 T184 | K183-T200 CarbonylContact O-C 3.47Å; K183-T200 WeakPolarHBondContact O-CA 3.46Å; T184-T200 PolarHBondContact OG1-OG1 3.07Å |
| 201 | I | 94.2 | Very high | 90.2 | Very high | 15 Ų | 15 | 64.2 Ų | 64.2 | 8% | 0.077 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 152.7 | 175.3 | 66.6 | 172 | 0 | 0 | 0 | 110.2 | V140 F144 V157 S182 K183 L185 V199 V203 | V140-I201 HydrophobicContact CB-CD1 4.28Å; V140-I201 HydrophobicContact CG1-CD1 3.5Å; V140-I201 VanDerWaalsContact CG1-CD1 3.5Å; V140-I201 HydrophobicContact CG2-CD1 3.74Å; F144-I201 HydrophobicContact CE2-CB 4.45Å; F144-I201 HydrophobicContact CE2-CD1 3.84Å; F144-I201 HydrophobicContact CZ-CB 4.28Å; F144-I201 HydrophobicContact CZ-CD1 4.38Å; V157-I201 HydrophobicContact CG1-CD1 4.48Å; S182-I201 CarbonylContact C-O 3.47Å; S182-I201 VanDerWaalsContact CA-O 3.31Å; S182-I201 WeakPolarHBondContact CA-O 3.18Å; K183-I201 HydrophobicContact CB-CG1 4.27Å; K183-I201 PolarHBondContact N-O 2.85Å; K183-I201 WeakPolarHBondContact O-CG1 3.28Å; K183-I201 PolarHBondContact O-N 3.17Å; L185-I201 HydrophobicContact CD1-CB 4.41Å; L185-I201 HydrophobicContact CD1-CD1 3.33Å; L185-I201 HydrophobicContact CD1-CG1 3.41Å; L185-I201 VanDerWaalsContact CD1-CG1 3.41Å; L185-I201 HydrophobicContact CD1-CG2 4.22Å; V199-I201 HydrophobicContact CG1-CG2 4.27Å; I201-V203 HydrophobicContact CD1-CG2 3.48Å; I201-V203 VanDerWaalsContact CD1-CG2 3.48Å; I201-V203 HydrophobicContact CG1-CG2 3.65Å |
| 202 | S | 95.9 | Very high | 90.6 | Very high | 60 Ų | 60 | 60.7 Ų | 60.7 | 42% | 0.42 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 109 | 176.2 | -174 | 0 | 0 | 0 | 0 | 109.7 | F144 Y180 | F144-S202 VanDerWaalsContact CZ-O 3.31Å; F144-S202 WeakPolarHBondContact CZ-O 3.25Å; Y180-S202 WeakPolarHBondContact CB-OG 3.3Å |
| 203 | V | 96.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 131.6 | -171.1 | -166.6 | 0 | 0 | 0 | 0 | 110.4 | F144 V157 V159 Y180 L181 K183 I201 N205 | F144-V203 HydrophobicContact CE2-CG2 4.18Å; F144-V203 HydrophobicContact CZ-CG2 4.16Å; V157-V203 HydrophobicContact CG2-CG1 4.13Å; V157-V203 HydrophobicContact CG2-CG2 4.2Å; V159-V203 HydrophobicContact CG1-CB 4.06Å; V159-V203 HydrophobicContact CG1-CG1 3.72Å; V159-V203 HydrophobicContact CG2-CG1 4.26Å; Y180-V203 WeakPolarHBondContact CA-O 3.42Å; L181-V203 PolarHBondContact N-O 2.98Å; L181-V203 PolarHBondContact O-N 3.12Å; K183-V203 HydrophobicContact CD-CG2 4.42Å; I201-V203 HydrophobicContact CD1-CG2 3.48Å; I201-V203 VanDerWaalsContact CD1-CG2 3.48Å; I201-V203 HydrophobicContact CG1-CG2 3.65Å; V203-N205 PolarHBondContact O-N 3.48Å |
| 204 | A | 95.9 | Very high | 91.9 | Very high | 19 Ų | 19 | 59.2 Ų | 59.2 | 16% | 0.157 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 128.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R161 T178 Y180 | R161-A204 PolarHBondContact NE-O 3.1Å; R161-A204 PolarHBondContact NH2-O 3.29Å; T178-A204 HydrophobicContact CG2-CB 3.92Å; Y180-A204 HydrophobicContact CD1-CB 4.36Å; Y180-A204 HydrophobicContact CE1-CB 3.98Å |
| 205 | N | 97.6 | Very high | 92.8 | Very high | 21 Ų | 21 | 59.2 Ų | 59.2 | 11% | 0.112 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 107.2 | 180 | -173.5 | 76.4 | 0 | 0 | 0 | 109.3 | Y160 G179 L181 V203 T207 | Y160-N205 WeakPolarHBondContact CB-OD1 3.46Å; Y160-N205 PolarHBondContact N-OD1 3.34Å; G179-N205 PolarHBondContact N-O 2.87Å; G179-N205 PolarHBondContact O-N 3Å; L181-N205 HydrophobicContact CD1-CB 3.81Å; L181-N205 HydrophobicContact CG-CB 3.82Å; V203-N205 PolarHBondContact O-N 3.48Å; N205-T207 PolarHBondContact O-N 3.36Å |
| 206 | H | 97.7 | Very high | 93.5 | Very high | 30 Ų | 30 | 59.4 Ų | 59.4 | 14% | 0.139 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 129.5 | -178.3 | -59.6 | -179.3 | 0 | 0 | 0 | 109.6 | Y160 C162 N175 | Y160-H206 PolarHBondContact O-N 3.04Å; C162-H206 PolarHBondContact N-ND1 3.15Å; C162-H206 PolarHBondContact SG-ND1 2.86Å; N175-H206 HydrophobicContact CB-CB 4.24Å |
| 207 | T | 96.6 | Very high | 93.6 | Very high | 84 Ų | 84 | 57.6 Ų | 57.6 | 52% | 0.515 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | -25.1 | -178.4 | 45 | 0 | 0 | 0 | 0 | 112.3 | S177 N205 | S177-T207 PolarHBondContact O-N 3.41Å; S177-T207 PolarHBondContact O-OG1 2.87Å; S177-T207 PolarHBondContact OG-OG1 3.47Å; N205-T207 PolarHBondContact O-N 3.36Å |
| 208 | Q | 97.4 | Very high | 93.5 | Very high | 109 Ų | 109 | 59.7 Ų | 59.7 | 51% | 0.509 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 140.5 | 175.3 | -164.4 | 177.2 | 27.5 | 0 | 0 | 111.2 | N175 I176 S177 | N175-Q208 WeakPolarHBondContact CA-O 3.45Å; I176-Q208 HydrophobicContact CD1-CG 4.39Å; I176-Q208 PolarHBondContact N-O 3.16Å; S177-Q208 PolarHBondContact N-O 3.29Å; S177-Q208 WeakPolarHBondContact OG-CB 3.39Å; S177-Q208 PolarHBondContact OG-N 2.64Å |
| 209 | C | 97 | Very high | 93 | Very high | 17 Ų | 17 | 63.9 Ų | 63.9 | 12% | 0.115 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 152.4 | -179.8 | -52.1 | 0 | 0 | 0 | 0 | 111 | M132 P133 C162 R174 | M132-C209 VanDerWaalsContact C-SG 3.52Å; P133-C209 VanDerWaalsContact CD-SG 3.53Å; C162-C209 WeakPolarHBondContact CA-SG 3.46Å; C162-C209 HydrophobicContact CB-CB 3.77Å; C162-C209 WeakPolarHBondContact CB-SG 3.41Å; C162-C209 WeakPolarHBondContact SG-CB 3.38Å; C162-C209 CovalentContact SG-SG 2.02Å; C162-C209 PolarHBondContact SG-SG 2.99Å; R174-C209 CarbonylContact O-C 3.58Å; R174-C209 VanDerWaalsContact O-CA 3.23Å; R174-C209 WeakPolarHBondContact O-CA 3.39Å |
| 210 | S | 96 | Very high | 92.2 | Very high | 45 Ų | 45 | 65.2 Ų | 65.2 | 32% | 0.315 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 159.3 | 170.2 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | R174 L212 | R174-S210 PolarHBondContact N-O 3.39Å; R174-S210 PolarHBondContact O-N 3.23Å; S210-L212 PolarHBondContact O-N 2.85Å |
| 211 | C | 96 | Very high | 91.4 | Very high | 31 Ų | 31 | 66.2 Ų | 66.2 | 21% | 0.209 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 105.5 | 173.7 | -72.6 | 0 | 0 | 0 | 0 | 109.8 | C131 C166 K171 | C131-C211 VanDerWaalsContact CB-SG 3.58Å; C166-C211 WeakPolarHBondContact CA-SG 3.43Å; C166-C211 HydrophobicContact CB-CB 3.78Å; C166-C211 WeakPolarHBondContact CB-SG 3.26Å; C166-C211 VanDerWaalsContact SG-CA 3.53Å; C166-C211 WeakPolarHBondContact SG-CB 3.49Å; C166-C211 CovalentContact SG-SG 2.03Å; C166-C211 PolarHBondContact SG-SG 3.06Å; K171-C211 HydrophobicContact CB-CB 4.09Å; K171-C211 HydrophobicContact CD-CB 4.22Å |
| 212 | L | 94.4 | Very high | 90.3 | Very high | 24 Ų | 24 | 70.4 Ų | 70.4 | 13% | 0.126 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 138.8 | -175.6 | -59.1 | -177.2 | 0 | 0 | 0 | 110.7 | K171 Q172 R174 S210 D216 I217 | K171-L212 WeakPolarHBondContact CA-O 3.36Å; Q172-L212 PolarHBondContact N-O 2.89Å; Q172-L212 PolarHBondContact O-N 3.24Å; R174-L212 HydrophobicContact CB-CD1 4.02Å; R174-L212 HydrophobicContact CB-CG 4.45Å; S210-L212 PolarHBondContact O-N 2.85Å; L212-D216 HydrophobicContact CB-CB 4.07Å; L212-D216 HydrophobicContact CD2-CB 4.24Å; L212-I217 HydrophobicContact CB-CG1 3.85Å; L212-I217 HydrophobicContact CD1-CG1 4.46Å |
| 213 | S | 93.5 | Very high | 88.6 | Confident | 21 Ų | 21 | 71.7 Ų | 71.7 | 15% | 0.147 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 165.4 | 170.1 | 72.9 | 0 | 0 | 0 | 0 | 110.8 | L215 D216 I217 | S213-L215 PolarHBondContact O-N 3.48Å; S213-L215 PolarHBondContact OG-N 2.97Å; S213-D216 WeakPolarHBondContact CB-OD2 3.14Å; S213-D216 PolarHBondContact N-OD2 3.42Å; S213-D216 PolarHBondContact O-N 3.25Å; S213-D216 VanDerWaalsContact O-N 3.07Å; S213-D216 PolarHBondContact OG-N 3.31Å; S213-D216 PolarHBondContact OG-OD2 2.94Å; S213-I217 WeakPolarHBondContact O-CG1 3.35Å; S213-I217 PolarHBondContact O-N 3.5Å |
| 214 | K | 88.3 | Confident | 86.8 | Confident | 182 Ų | 182 | 77.4 Ų | 77.4 | 79% | 0.791 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -53.2 | -37.4 | 173.6 | -67.5 | -179.5 | -179.1 | 174.4 | 0 | 112.7 | Y218 | K214-Y218 PolarHBondContact O-N 3.42Å |
| 215 | L | 86.5 | Confident | 84.8 | Confident | 124 Ų | 124 | 84.1 Ų | 84.1 | 65% | 0.649 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -70.2 | -39.9 | 178.1 | -68.6 | 172.9 | 0 | 0 | 0 | 112.1 | S213 I217 Y218 R219 | S213-L215 PolarHBondContact O-N 3.48Å; S213-L215 PolarHBondContact OG-N 2.97Å; L215-I217 VanDerWaalsContact C-N 3.35Å; L215-Y218 PolarHBondContact O-N 3.48Å; L215-R219 WeakPolarHBondContact O-CG 3.46Å; L215-R219 PolarHBondContact O-N 3.31Å |
| 216 | D | 87.3 | Confident | 82.7 | Confident | 62 Ų | 62 | 91.2 Ų | 91.2 | 33% | 0.332 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.8 | -37.9 | 178.7 | -60.9 | -45 | 0 | 0 | 0 | 111.4 | L212 S213 Y218 R219 Q220 | L212-D216 HydrophobicContact CB-CB 4.07Å; L212-D216 HydrophobicContact CD2-CB 4.24Å; S213-D216 WeakPolarHBondContact CB-OD2 3.14Å; S213-D216 PolarHBondContact N-OD2 3.42Å; S213-D216 PolarHBondContact O-N 3.25Å; S213-D216 VanDerWaalsContact O-N 3.07Å; S213-D216 PolarHBondContact OG-N 3.31Å; S213-D216 PolarHBondContact OG-OD2 2.94Å; D216-Y218 VanDerWaalsContact C-N 3.34Å; D216-Y218 PolarHBondContact O-N 3.03Å; D216-R219 PolarHBondContact O-N 3.22Å; D216-Q220 WeakPolarHBondContact O-CB 3.49Å; D216-Q220 PolarHBondContact O-N 2.88Å |
| 217 | I | 85.3 | Confident | 80.4 | Confident | 38 Ų | 38 | 100.7 Ų | 100.7 | 20% | 0.195 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 173.2 | -64.9 | 166.9 | 0 | 0 | 0 | 110.1 | Q172 R174 L212 S213 L215 R219 Q220 V221 | Q172-I217 HydrophobicContact CB-CD1 4.44Å; R174-I217 HydrophobicContact CG-CD1 4.2Å; R174-I217 HydrophobicContact CG-CG1 4.38Å; L212-I217 HydrophobicContact CB-CG1 3.85Å; L212-I217 HydrophobicContact CD1-CG1 4.46Å; S213-I217 WeakPolarHBondContact O-CG1 3.35Å; S213-I217 PolarHBondContact O-N 3.5Å; L215-I217 VanDerWaalsContact C-N 3.35Å; I217-R219 VanDerWaalsContact C-N 3.32Å; I217-R219 PolarHBondContact O-N 2.81Å; I217-Q220 PolarHBondContact O-N 2.92Å; I217-V221 WeakPolarHBondContact O-CG2 3.05Å; I217-V221 PolarHBondContact O-N 3.35Å |
| 218 | Y | 83.5 | Confident | 78.1 | Confident | 153 Ų | 153 | 101.1 Ų | 101.1 | 60% | 0.6 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.6 | -43.5 | 176.7 | -175.6 | -93.5 | 0 | 0 | 0 | 111.7 | K214 L215 D216 Q220 V221 H222 | K214-Y218 PolarHBondContact O-N 3.42Å; L215-Y218 PolarHBondContact O-N 3.48Å; D216-Y218 VanDerWaalsContact C-N 3.34Å; D216-Y218 PolarHBondContact O-N 3.03Å; Y218-Q220 VanDerWaalsContact C-N 3.35Å; Y218-Q220 PolarHBondContact O-N 2.93Å; Y218-V221 PolarHBondContact O-N 3.27Å; Y218-H222 AromaticContact CD2-CD2 3.53Å; Y218-H222 AromaticContact CD2-NE2 3.93Å; Y218-H222 HydrophobicContact CE1-CB 4.48Å; Y218-H222 AromaticContact CE1-CD2 3.93Å; Y218-H222 AromaticContact CE2-CD2 3.29Å; Y218-H222 WeakPolarHBondContact CE2-CD2 3.37Å; Y218-H222 AromaticContact CE2-NE2 3.47Å; Y218-H222 WeakPolarHBondContact CE2-NE2 3.47Å; Y218-H222 AromaticContact CG-CD2 3.95Å; Y218-H222 AromaticContact CZ-CD2 3.5Å; Y218-H222 AromaticContact CZ-NE2 3.97Å; Y218-H222 WeakPolarHBondContact O-CB 3.38Å; Y218-H222 PolarHBondContact O-CD2 2.98Å; Y218-H222 VanDerWaalsContact O-CD2 3.31Å; Y218-H222 PolarHBondContact O-N 2.98Å |
| 219 | R | 83.1 | Confident | 75.7 | Confident | 176 Ų | 176 | 101.1 Ų | 101.1 | 66% | 0.664 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.6 | -36.4 | 176.5 | -73.3 | 175.3 | 176.2 | -178.8 | -1.1 | 113.1 | L215 D216 I217 H222 S223 | L215-R219 WeakPolarHBondContact O-CG 3.46Å; L215-R219 PolarHBondContact O-N 3.31Å; D216-R219 PolarHBondContact O-N 3.22Å; I217-R219 VanDerWaalsContact C-N 3.32Å; I217-R219 PolarHBondContact O-N 2.81Å; R219-H222 CarbonylContact O-C 3.53Å; R219-S223 WeakPolarHBondContact O-CA 3.45Å; R219-S223 PolarHBondContact O-N 3.16Å |
| 220 | Q | 78.4 | Confident | 73.6 | Confident | 72 Ų | 72 | 104.9 Ų | 104.9 | 34% | 0.336 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.2 | -42.7 | 179.1 | -171.8 | -176.4 | 0.8 | 0 | 0 | 111.5 | N175 D216 I217 Y218 S223 | N175-Q220 PolarHBondContact O-NE2 3.48Å; D216-Q220 WeakPolarHBondContact O-CB 3.49Å; D216-Q220 PolarHBondContact O-N 2.88Å; I217-Q220 PolarHBondContact O-N 2.92Å; Y218-Q220 VanDerWaalsContact C-N 3.35Å; Y218-Q220 PolarHBondContact O-N 2.93Å; Q220-S223 PolarHBondContact O-OG 2.95Å |
| 221 | V | 77.7 | Confident | 71.8 | Confident | 107 Ų | 107 | 110.6 Ų | 110.6 | 65% | 0.648 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -70.7 | -40 | 177.8 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | I217 Y218 S223 | I217-V221 WeakPolarHBondContact O-CG2 3.05Å; I217-V221 PolarHBondContact O-N 3.35Å; Y218-V221 PolarHBondContact O-N 3.27Å; V221-S223 VanDerWaalsContact C-N 3.35Å |
| 222 | H | 71.4 | Confident | 70 | Confident | 102 Ų | 102 | 110.7 Ų | 110.7 | 47% | 0.472 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 37.7 | 178.5 | -60.8 | -73.3 | 0 | 0 | 0 | 111.9 | Y218 R219 I224 | Y218-H222 AromaticContact CD2-CD2 3.53Å; Y218-H222 AromaticContact CD2-NE2 3.93Å; Y218-H222 HydrophobicContact CE1-CB 4.48Å; Y218-H222 AromaticContact CE1-CD2 3.93Å; Y218-H222 AromaticContact CE2-CD2 3.29Å; Y218-H222 WeakPolarHBondContact CE2-CD2 3.37Å; Y218-H222 AromaticContact CE2-NE2 3.47Å; Y218-H222 WeakPolarHBondContact CE2-NE2 3.47Å; Y218-H222 AromaticContact CG-CD2 3.95Å; Y218-H222 AromaticContact CZ-CD2 3.5Å; Y218-H222 AromaticContact CZ-NE2 3.97Å; Y218-H222 WeakPolarHBondContact O-CB 3.38Å; Y218-H222 PolarHBondContact O-CD2 2.98Å; Y218-H222 VanDerWaalsContact O-CD2 3.31Å; Y218-H222 PolarHBondContact O-N 2.98Å; R219-H222 CarbonylContact O-C 3.53Å; H222-I224 PolarHBondContact O-N 3.1Å |
| 223 | S | 60.2 | Low | 68.4 | Low | 87 Ų | 87 | 113.8 Ų | 113.8 | 61% | 0.608 | 58% | 0.576 | S | S | * | * | trans | -67.9 | 77.7 | 170.8 | 69.4 | 0 | 0 | 0 | 0 | 108.4 | R219 Q220 V221 I225 | R219-S223 WeakPolarHBondContact O-CA 3.45Å; R219-S223 PolarHBondContact O-N 3.16Å; Q220-S223 PolarHBondContact O-OG 2.95Å; V221-S223 VanDerWaalsContact C-N 3.35Å; S223-I225 PolarHBondContact O-N 2.05Å; S223-I225 VanDerWaalsContact O-N 3.16Å | ||
| 224 | I | 58.8 | Low | 66.6 | Low | 122 Ų | 122 | 121.7 Ų | 121.7 | 63% | 0.626 | 62% | 0.615 | S | S | * | * | trans | -53.8 | 123 | 162.2 | -61.9 | 168.6 | 0 | 0 | 0 | 103.6 | H222 R226 | H222-I224 PolarHBondContact O-N 3.1Å; I224-R226 HydrophobicContact CB-CG 4.43Å; I224-R226 HydrophobicContact CG2-CG 4.13Å; I224-R226 PolarHBondContact O-N 2.91Å | ||
| 225 | I | 54.8 | Low | 64.8 | Low | 160 Ų | 160 | 115.4 Ų | 115.4 | 82% | 0.821 | 60% | 0.598 | S | S | * | * | trans | -60.3 | 80.8 | 167.3 | -56.8 | 170.3 | 0 | 0 | 0 | 105.9 | S223 R227 | S223-I225 PolarHBondContact O-N 2.05Å; S223-I225 VanDerWaalsContact O-N 3.16Å; I225-R227 PolarHBondContact O-N 2.97Å | ||
| 226 | R | 53.7 | Low | 63.5 | Low | 169 Ų | 169 | 116.7 Ų | 116.7 | 64% | 0.638 | 61% | 0.605 | S | S | * | * | trans | -72.5 | 98.8 | 159.9 | -67.2 | -174.4 | -177.1 | -119 | 3.2 | 101.8 | I224 A228 L229 | I224-R226 HydrophobicContact CB-CG 4.43Å; I224-R226 HydrophobicContact CG2-CG 4.13Å; I224-R226 PolarHBondContact O-N 2.91Å; R226-A228 PolarHBondContact O-N 2.87Å; R226-L229 HydrophobicContact CB-CD1 4.14Å; R226-L229 HydrophobicContact CG-CD1 4.12Å | ||
| 227 | R | 49 | Very low | 62.2 | Low | 229 Ų | 229 | 123.7 Ų | 123.7 | 86% | 0.864 | 63% | 0.627 | S | S | * | * | trans | -36.5 | 117.4 | 143.3 | -74.7 | -178.5 | -179.1 | 128 | 0.2 | 104 | I225 L229 | I225-R227 PolarHBondContact O-N 2.97Å; R227-L229 PolarHBondContact O-N 2.78Å | ||
| 228 | A | 48.7 | Very low | 61.4 | Low | 94 Ų | 94 | 127.7 Ų | 127.7 | 78% | 0.777 | 65% | 0.653 | S | S | * | * | trans | -37.4 | 107.1 | -175 | 0 | 0 | 0 | 0 | 0 | 107.5 | R226 P230 | R226-A228 PolarHBondContact O-N 2.87Å; A228-P230 WeakPolarHBondContact O-CD 3.06Å; A228-P230 VanDerWaalsContact O-N 3.14Å | ||
| 229 | L | 47.1 | Very low | 61 | Low | 108 Ų | 108 | 121.9 Ų | 121.9 | 57% | 0.565 | 63% | 0.634 | S | S | * | * | trans | -57.7 | 128.1 | 173.3 | -99.3 | 94.3 | 0 | 0 | 0 | 102.9 | R226 R227 E231 | R226-L229 HydrophobicContact CB-CD1 4.14Å; R226-L229 HydrophobicContact CG-CD1 4.12Å; R227-L229 PolarHBondContact O-N 2.78Å; L229-E231 PolarHBondContact O-N 3.32Å | ||
| 230 | P | 52 | Low | 60.7 | Low | 97 Ų | 97 | 116.7 Ų | 116.7 | 63% | 0.63 | 62% | 0.624 | S | S | * | * | trans | -48.6 | 125.2 | 173.3 | -22.4 | 31.1 | 0 | 0 | 0 | 106.8 | A228 C232 | A228-P230 WeakPolarHBondContact O-CD 3.06Å; A228-P230 VanDerWaalsContact O-N 3.14Å; P230-C232 CarbonylContact O-C 3.58Å; P230-C232 VanDerWaalsContact O-C 3.31Å; P230-C232 WeakPolarHBondContact O-CA 3.34Å; P230-C232 PolarHBondContact O-N 2.75Å | ||
| 231 | E | 58.2 | Low | 60.5 | Low | 165 Ų | 165 | 119.9 Ų | 119.9 | 77% | 0.771 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -55.6 | -14.9 | -171.3 | -74 | 179.9 | 151.4 | 0 | 0 | 112.7 | L229 C250 | L229-E231 PolarHBondContact O-N 3.32Å; E231-C250 PolarHBondContact O-SG 3.43Å |
| 232 | C | 58.5 | Low | 60.2 | Low | 32 Ų | 32 | 116.9 Ų | 116.9 | 22% | 0.216 | 64% | 0.642 | C | S | . | * | S | Bend | trans | -134.9 | 128.6 | 156.2 | -51.6 | 0 | 0 | 0 | 0 | 109.3 | P230 L234 W245 C250 | P230-C232 CarbonylContact O-C 3.58Å; P230-C232 VanDerWaalsContact O-C 3.31Å; P230-C232 WeakPolarHBondContact O-CA 3.34Å; P230-C232 PolarHBondContact O-N 2.75Å; C232-L234 PolarHBondContact O-N 3.19Å; C232-W245 HydrophobicContact CB-CZ2 4.18Å; C232-C250 HydrophobicContact CB-CB 3.95Å; C232-C250 WeakPolarHBondContact CB-SG 3Å; C232-C250 VanDerWaalsContact SG-CA 3.56Å; C232-C250 WeakPolarHBondContact SG-CB 3.36Å; C232-C250 CovalentContact SG-SG 2.05Å; C232-C250 PolarHBondContact SG-SG 3.33Å |
| 233 | A | 59.4 | Low | 60.8 | Low | 89 Ų | 89 | 115.9 Ų | 115.9 | 74% | 0.736 | 64% | 0.637 | S | S | * | * | trans | -63.3 | 123.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | A235 | A233-A235 PolarHBondContact O-N 2.95Š| ||
| 234 | L | 57.7 | Low | 61.8 | Low | 187 Ų | 187 | 116.2 Ų | 116.2 | 98% | 0.979 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 3.2 | 78.8 | 169.4 | -72.8 | 159.6 | 0 | 0 | 0 | 115.1 | C232 | C232-L234 PolarHBondContact O-N 3.19Š|
| 235 | A | 50 | Low | 62.9 | Low | 51 Ų | 51 | 113.2 Ų | 113.2 | 42% | 0.421 | 62% | 0.616 | S | S | . | * | trans | -115.8 | 122.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | A233 R237 W245 | A233-A235 PolarHBondContact O-N 2.95Å; A235-R237 PolarHBondContact O-N 2.74Å; A235-R237 VanDerWaalsContact O-N 3.1Å; A235-W245 HydrophobicContact CB-CH2 4.17Å | ||
| 236 | N | 58.1 | Low | 63.9 | Low | 151 Ų | 151 | 107.2 Ų | 107.2 | 81% | 0.807 | 59% | 0.586 | S | S | * | * | trans | -47.2 | 119.3 | 177.9 | -76.8 | -27.7 | 0 | 0 | 0 | 109.6 | T238 | N236-T238 PolarHBondContact O-N 2.58Š| ||
| 237 | R | 61.6 | Low | 64.6 | Low | 208 Ų | 208 | 103 Ų | 103 | 79% | 0.785 | 58% | 0.579 | S | S | * | * | trans | -71.5 | 33.4 | -173.5 | -68.4 | -178.6 | 164.6 | -176.2 | -4.5 | 113.6 | A235 | A235-R237 PolarHBondContact O-N 2.74Å; A235-R237 VanDerWaalsContact O-N 3.1Å | ||
| 238 | T | 67.3 | Low | 65.6 | Low | 122 Ų | 122 | 101.5 Ų | 101.5 | 75% | 0.748 | 58% | 0.579 | S | S | * | * | trans | -110.2 | 99.1 | -174.6 | -22 | 0 | 0 | 0 | 0 | 108.6 | N236 | N236-T238 PolarHBondContact O-N 2.58Š| ||
| 239 | C | 74.7 | Confident | 66.5 | Low | 31 Ų | 31 | 102 Ų | 102 | 21% | 0.209 | 57% | 0.565 | C | S | . | * | P | Polyproline II helix | trans | -83.3 | 149.6 | 174 | -66.6 | 0 | 0 | 0 | 0 | 111 | Q243 C252 | C239-Q243 HydrophobicContact CB-CB 4.08Å; C239-Q243 WeakPolarHBondContact CB-O 3.44Å; C239-C252 WeakPolarHBondContact CA-SG 3.36Å; C239-C252 HydrophobicContact CB-CB 3.78Å; C239-C252 WeakPolarHBondContact CB-SG 3.4Å; C239-C252 WeakPolarHBondContact SG-CB 2.96Å; C239-C252 CovalentContact SG-SG 2.03Å; C239-C252 PolarHBondContact SG-SG 3.23Å |
| 240 | P | 78.2 | Confident | 67.9 | Low | 68 Ų | 68 | 99.4 Ų | 99.4 | 44% | 0.442 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 157.4 | 171.6 | -19.1 | 30.2 | 0 | 0 | 0 | 111.9 | G242 Q243 | P240-G242 PolarHBondContact O-N 3.19Å; P240-Q243 PolarHBondContact O-N 2.03Å; P240-Q243 VanDerWaalsContact O-N 3.16Å |
| 241 | P | 72.6 | Confident | 69 | Low | 138 Ų | 138 | 99.7 Ų | 99.7 | 90% | 0.896 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 124.8 | 178.2 | 3.4 | -4.5 | 0 | 0 | 0 | 111.3 | ||
| 242 | G | 73.1 | Confident | 70.2 | Confident | 45 Ų | 45 | 93.6 Ų | 93.6 | 46% | 0.464 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.8 | 3.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116 | P240 M255 | P240-G242 PolarHBondContact O-N 3.19Å; G242-M255 WeakPolarHBondContact O-CG 3.42Å |
| 243 | Q | 83.7 | Confident | 71.3 | Confident | 81 Ų | 81 | 93.8 Ų | 93.8 | 38% | 0.379 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 147.8 | 175.9 | -59.9 | -178.6 | 23 | 0 | 0 | 112.2 | C239 P240 C252 I253 | C239-Q243 HydrophobicContact CB-CB 4.08Å; C239-Q243 WeakPolarHBondContact CB-O 3.44Å; P240-Q243 PolarHBondContact O-N 2.03Å; P240-Q243 VanDerWaalsContact O-N 3.16Å; Q243-C252 HydrophobicContact CB-CB 3.99Å; Q243-I253 CarbonylContact C-O 3.59Å; Q243-I253 VanDerWaalsContact CA-O 3.27Å; Q243-I253 WeakPolarHBondContact CA-O 3.27Å; Q243-I253 WeakPolarHBondContact CB-O 3.45Å |
| 244 | V | 80.3 | Confident | 72.1 | Confident | 93 Ų | 93 | 92.1 Ų | 92.1 | 56% | 0.564 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 135.9 | 178.1 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | N246 I253 | V244-N246 PolarHBondContact O-N 3.2Å; V244-I253 PolarHBondContact N-O 2.62Å; V244-I253 VanDerWaalsContact O-CG1 3.25Å; V244-I253 WeakPolarHBondContact O-CG1 3.47Å; V244-I253 PolarHBondContact O-N 2.83Å |
| 245 | W | 82.3 | Confident | 72.2 | Confident | 59 Ų | 59 | 90.2 Ų | 90.2 | 22% | 0.223 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 124.6 | 176.4 | -178.5 | -98.6 | 0 | 0 | 0 | 110.8 | C232 A235 C250 | C232-W245 HydrophobicContact CB-CZ2 4.18Å; A235-W245 HydrophobicContact CB-CH2 4.17Å; W245-C250 HydrophobicContact CH2-CB 4.45Å; W245-C250 WeakPolarHBondContact CH2-O 3.48Å; W245-C250 HydrophobicContact CZ2-CB 4.15Å |
| 246 | N | 76.5 | Confident | 72.6 | Confident | 35 Ų | 35 | 91.7 Ų | 91.7 | 19% | 0.187 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 110.8 | 173 | -172.1 | -20 | 0 | 0 | 0 | 110.9 | V244 K248 Q249 C250 Q251 I253 | V244-N246 PolarHBondContact O-N 3.2Å; N246-K248 PolarHBondContact O-N 2.84Å; N246-K248 WeakPolarHBondContact OD1-CB 3.25Å; N246-K248 PolarHBondContact OD1-N 2.67Å; N246-Q249 HydrophobicContact CB-CB 4.17Å; N246-Q249 PolarHBondContact ND2-NE2 2.92Å; N246-Q249 PolarHBondContact ND2-OE1 3.32Å; N246-Q249 PolarHBondContact O-N 2.81Å; N246-Q249 VanDerWaalsContact O-N 3.15Å; N246-C250 PolarHBondContact O-N 3.38Å; N246-Q251 PolarHBondContact N-O 3.36Å; N246-I253 HydrophobicContact CB-CD1 3.85Å; N246-I253 HydrophobicContact CB-CG1 3.99Å; N246-I253 HydrophobicContact CB-CG2 4.28Å |
| 247 | T | 67.8 | Low | 72.1 | Confident | 79 Ų | 79 | 88.1 Ų | 88.1 | 49% | 0.485 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -27.4 | 178.9 | -39.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 248 | K | 70.5 | Confident | 71.6 | Confident | 199 Ų | 199 | 84 Ų | 84 | 87% | 0.865 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -19.3 | 178.3 | -62.3 | -169.8 | 177.8 | -175.9 | 0 | 113.5 | N246 | N246-K248 PolarHBondContact O-N 2.84Å; N246-K248 WeakPolarHBondContact OD1-CB 3.25Å; N246-K248 PolarHBondContact OD1-N 2.67Å |
| 249 | Q | 66.3 | Low | 70.5 | Confident | 103 Ų | 103 | 83.9 Ų | 83.9 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | -4.2 | -175 | -64.1 | 166.4 | -8.8 | 0 | 0 | 112.5 | N246 Q251 | N246-Q249 HydrophobicContact CB-CB 4.17Å; N246-Q249 PolarHBondContact ND2-NE2 2.92Å; N246-Q249 PolarHBondContact ND2-OE1 3.32Å; N246-Q249 PolarHBondContact O-N 2.81Å; N246-Q249 VanDerWaalsContact O-N 3.15Å; Q249-Q251 HydrophobicContact CB-CG 3.9Å; Q249-Q251 PolarHBondContact O-N 2.83Å |
| 250 | C | 76.3 | Confident | 68.8 | Low | 54 Ų | 54 | 91.5 Ų | 91.5 | 37% | 0.365 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46 | 41.5 | -175.5 | -63.9 | 0 | 0 | 0 | 0 | 114.3 | E231 C232 W245 N246 | E231-C250 PolarHBondContact O-SG 3.43Å; C232-C250 HydrophobicContact CB-CB 3.95Å; C232-C250 WeakPolarHBondContact CB-SG 3Å; C232-C250 VanDerWaalsContact SG-CA 3.56Å; C232-C250 WeakPolarHBondContact SG-CB 3.36Å; C232-C250 CovalentContact SG-SG 2.05Å; C232-C250 PolarHBondContact SG-SG 3.33Å; W245-C250 HydrophobicContact CH2-CB 4.45Å; W245-C250 WeakPolarHBondContact CH2-O 3.48Å; W245-C250 HydrophobicContact CZ2-CB 4.15Å; N246-C250 PolarHBondContact O-N 3.38Å |
| 251 | Q | 76.7 | Confident | 67 | Low | 104 Ų | 104 | 93.6 Ų | 93.6 | 49% | 0.486 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 158.3 | 179.4 | 66.4 | -174.5 | 1.8 | 0 | 0 | 111.5 | N246 Q249 I253 | N246-Q251 PolarHBondContact N-O 3.36Å; Q249-Q251 HydrophobicContact CB-CG 3.9Å; Q249-Q251 PolarHBondContact O-N 2.83Å; Q251-I253 HydrophobicContact CG-CG2 4.17Å |
| 252 | C | 82.8 | Confident | 65.7 | Low | 37 Ų | 37 | 92.5 Ų | 92.5 | 25% | 0.25 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 125.7 | 170.4 | -61.4 | 0 | 0 | 0 | 0 | 109.7 | C239 Q243 | C239-C252 WeakPolarHBondContact CA-SG 3.36Å; C239-C252 HydrophobicContact CB-CB 3.78Å; C239-C252 WeakPolarHBondContact CB-SG 3.4Å; C239-C252 WeakPolarHBondContact SG-CB 2.96Å; C239-C252 CovalentContact SG-SG 2.03Å; C239-C252 PolarHBondContact SG-SG 3.23Å; Q243-C252 HydrophobicContact CB-CB 3.99Å |
| 253 | I | 80.8 | Confident | 64.3 | Low | 36 Ų | 36 | 96 Ų | 96 | 19% | 0.185 | 54% | 0.539 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 143.5 | 176.5 | 56.2 | 167.8 | 0 | 0 | 0 | 110.4 | Q243 V244 N246 Q251 | Q243-I253 CarbonylContact C-O 3.59Å; Q243-I253 VanDerWaalsContact CA-O 3.27Å; Q243-I253 WeakPolarHBondContact CA-O 3.27Å; Q243-I253 WeakPolarHBondContact CB-O 3.45Å; V244-I253 PolarHBondContact N-O 2.62Å; V244-I253 VanDerWaalsContact O-CG1 3.25Å; V244-I253 WeakPolarHBondContact O-CG1 3.47Å; V244-I253 PolarHBondContact O-N 2.83Å; N246-I253 HydrophobicContact CB-CD1 3.85Å; N246-I253 HydrophobicContact CB-CG1 3.99Å; N246-I253 HydrophobicContact CB-CG2 4.28Å; Q251-I253 HydrophobicContact CG-CG2 4.17Å |
| 254 | S | 76 | Confident | 62.4 | Low | 54 Ų | 54 | 97.4 Ų | 97.4 | 38% | 0.378 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.6 | 135.3 | 174.7 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | A256 S257 | S254-A256 PolarHBondContact O-N 3.01Å; S254-A256 PolarHBondContact OG-N 2.82Å; S254-S257 PolarHBondContact O-N 2.82Å; S254-S257 PolarHBondContact O-OG 3.15Å |
| 255 | M | 59.8 | Low | 60.4 | Low | 146 Ų | 146 | 98.7 Ų | 98.7 | 72% | 0.719 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -55.3 | -15.9 | 173.4 | 56.6 | -163.8 | -94.9 | 0 | 0 | 114.1 | G242 S257 | G242-M255 WeakPolarHBondContact O-CG 3.42Å; M255-S257 VanDerWaalsContact C-N 3.33Å; M255-S257 PolarHBondContact O-N 2.7Å |
| 256 | A | 58.3 | Low | 58.1 | Low | 82 Ų | 82 | 103.4 Ų | 103.4 | 68% | 0.678 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -81.6 | -1.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S254 | S254-A256 PolarHBondContact O-N 3.01Å; S254-A256 PolarHBondContact OG-N 2.82Å |
| 257 | S | 49.6 | Very low | 56.1 | Low | 76 Ų | 76 | 109.7 Ų | 109.7 | 53% | 0.531 | 63% | 0.627 | S | S | . | * | G | 310 helix | trans | -104.6 | 8.8 | -176.7 | 60.5 | 0 | 0 | 0 | 0 | 115.2 | S254 M255 V259 | S254-S257 PolarHBondContact O-N 2.82Å; S254-S257 PolarHBondContact O-OG 3.15Å; M255-S257 VanDerWaalsContact C-N 3.33Å; M255-S257 PolarHBondContact O-N 2.7Å; S257-V259 PolarHBondContact O-N 2.75Å |
| 258 | V | 50 | Low | 54.5 | Low | 121 Ų | 121 | 114.8 Ų | 114.8 | 73% | 0.733 | 65% | 0.645 | S | S | * | * | trans | -91.9 | 43.3 | 169.4 | -163.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 259 | V | 45.2 | Very low | 52.6 | Low | 121 Ų | 121 | 113.3 Ų | 113.3 | 73% | 0.733 | 65% | 0.645 | S | S | * | * | trans | -112.7 | 100.2 | 165.1 | -176.7 | 0 | 0 | 0 | 0 | 106.2 | S257 | S257-V259 PolarHBondContact O-N 2.75Š| ||
| 260 | K | 37.4 | Very low | 50.9 | Low | 191 Ų | 191 | 119.9 Ų | 119.9 | 83% | 0.83 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 131.9 | 167.2 | -97.3 | 175 | 171 | 177.7 | 0 | 108.2 | ||
| 261 | P | 41.9 | Very low | 48.7 | Very low | 112 Ų | 112 | 120 Ų | 120 | 73% | 0.727 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 144.3 | 165 | 25.5 | -30.4 | 0 | 0 | 0 | 109 | ||
| 262 | P | 45.5 | Very low | 46.8 | Very low | 115 Ų | 115 | 119 Ų | 119 | 75% | 0.747 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 147.1 | 176.4 | 26 | -32.7 | 0 | 0 | 0 | 110.2 | ||
| 263 | P | 43.2 | Very low | 44.7 | Very low | 118 Ų | 118 | 124.6 Ų | 124.6 | 77% | 0.766 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 147.7 | 174.4 | 26.8 | -32.2 | 0 | 0 | 0 | 110.3 | ||
| 264 | P | 43.7 | Very low | 42.8 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 71% | 0.714 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 151.7 | 172.8 | 25.7 | -32.1 | 0 | 0 | 0 | 110.2 | L266 | P264-L266 PolarHBondContact O-N 2.81Å; P264-L266 VanDerWaalsContact O-N 3.1Å |
| 265 | P | 38.4 | Very low | 41.3 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 120.6 | -178.7 | 23.5 | -30.6 | 0 | 0 | 0 | 109.1 | L267 | P265-L267 PolarHBondContact O-N 2.79Š|
| 266 | L | 34.3 | Very low | 40.8 | Very low | 158 Ų | 158 | 130.2 Ų | 130.2 | 83% | 0.827 | 71% | 0.71 | S | S | * | * | trans | -59 | 107.1 | 164.1 | -70.7 | 170.1 | 0 | 0 | 0 | 106.3 | P264 H268 | P264-L266 PolarHBondContact O-N 2.81Å; P264-L266 VanDerWaalsContact O-N 3.1Å; L266-H268 PolarHBondContact O-N 2.66Å | ||
| 267 | L | 33.2 | Very low | 40.4 | Very low | 167 Ų | 167 | 129.6 Ų | 129.6 | 87% | 0.874 | 70% | 0.695 | S | S | * | * | trans | -56.8 | 113.9 | 162.9 | -77 | 166.3 | 0 | 0 | 0 | 106.1 | P265 L269 | P265-L267 PolarHBondContact O-N 2.79Å; L267-L269 VanDerWaalsContact C-N 3.28Å; L267-L269 PolarHBondContact O-N 3.24Å | ||
| 268 | H | 35.5 | Very low | 40.4 | Very low | 186 Ų | 186 | 130 Ų | 130 | 86% | 0.861 | 69% | 0.694 | S | S | * | * | trans | -53 | 96.5 | 169.8 | -75.9 | -79.4 | 0 | 0 | 0 | 108.1 | L266 R270 | L266-H268 PolarHBondContact O-N 2.66Å; H268-R270 VanDerWaalsContact C-N 3.3Å; H268-R270 PolarHBondContact O-N 3.43Å | ||
| 269 | L | 30.5 | Very low | 40.6 | Very low | 167 Ų | 167 | 127.3 Ų | 127.3 | 87% | 0.874 | 68% | 0.675 | S | S | * | * | trans | -61.8 | 107.6 | 153.5 | -152.3 | 75.5 | 0 | 0 | 0 | 103.8 | L267 S271 | L267-L269 VanDerWaalsContact C-N 3.28Å; L267-L269 PolarHBondContact O-N 3.24Å; L269-S271 VanDerWaalsContact C-N 3.34Å; L269-S271 PolarHBondContact O-N 3.2Å | ||
| 270 | R | 29.4 | Very low | 40.9 | Very low | 241 Ų | 241 | 122.7 Ų | 122.7 | 91% | 0.909 | 65% | 0.648 | S | S | * | * | trans | -52.2 | 102 | 179.2 | -159.6 | 174.2 | -165.9 | -178.5 | 2.1 | 106.6 | H268 | H268-R270 VanDerWaalsContact C-N 3.3Å; H268-R270 PolarHBondContact O-N 3.43Å | ||
| 271 | S | 30.8 | Very low | 41.6 | Very low | 57 Ų | 57 | 115.9 Ų | 115.9 | 40% | 0.399 | 62% | 0.624 | S | S | . | * | trans | -64.3 | 143.8 | 177.1 | 48.3 | 0 | 0 | 0 | 0 | 107.7 | L269 Q273 | L269-S271 VanDerWaalsContact C-N 3.34Å; L269-S271 PolarHBondContact O-N 3.2Å; S271-Q273 PolarHBondContact O-N 2.03Å | ||
| 272 | P | 36.9 | Very low | 42.5 | Very low | 84 Ų | 84 | 116.9 Ų | 116.9 | 55% | 0.545 | 62% | 0.624 | S | S | . | * | trans | -71.5 | 84 | 161.4 | 31.2 | -29.9 | 0 | 0 | 0 | 106.7 | Q274 H275 | P272-Q274 PolarHBondContact O-N 2.52Å; P272-H275 PolarHBondContact O-N 2.97Å | ||
| 273 | Q | 38.7 | Very low | 43.5 | Very low | 153 Ų | 153 | 113.8 Ų | 113.8 | 72% | 0.715 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -9 | 179.1 | -98.7 | 176.6 | -30 | 0 | 0 | 113.6 | S271 | S271-Q273 PolarHBondContact O-N 2.03Š|
| 274 | Q | 40.6 | Very low | 44.9 | Very low | 161 Ų | 161 | 109 Ų | 109 | 75% | 0.752 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -13.7 | 179.3 | -66.3 | -174.6 | -18.3 | 0 | 0 | 114.2 | P272 | P272-Q274 PolarHBondContact O-N 2.52Š|
| 275 | H | 45.4 | Very low | 46 | Very low | 88 Ų | 88 | 104.9 Ų | 104.9 | 41% | 0.407 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -100.1 | -8 | -174.5 | -59.5 | -47.2 | 0 | 0 | 0 | 114.6 | Y109 P272 | Y109-H275 AromaticContact CE1-CE1 3.4Å; Y109-H275 WeakPolarHBondContact CE1-CE1 3.14Å; Y109-H275 AromaticContact CE1-CG 3.78Å; Y109-H275 AromaticContact CE1-ND1 3.28Å; Y109-H275 VanDerWaalsContact CE1-ND1 3.28Å; Y109-H275 WeakPolarHBondContact CE1-ND1 3.39Å; Y109-H275 AromaticContact CE1-NE2 3.92Å; Y109-H275 AromaticContact CZ-CE1 3.59Å; Y109-H275 AromaticContact CZ-ND1 3.35Å; Y109-H275 PolarHBondContact OH-CE1 3.04Å; Y109-H275 PolarHBondContact OH-ND1 2.75Å; P272-H275 PolarHBondContact O-N 2.97Å |
| 276 | H | 47.7 | Very low | 47.3 | Very low | 106 Ų | 106 | 104 Ų | 104 | 49% | 0.491 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -75.5 | -29.3 | 174.6 | -83.7 | -86 | 0 | 0 | 0 | 112.8 | ||
| 277 | D | 50.1 | Low | 48.8 | Very low | 69 Ų | 69 | 102.2 Ų | 102.2 | 37% | 0.369 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -80.1 | -27.1 | -168.6 | -71.4 | -31.3 | 0 | 0 | 0 | 113.3 | S281 R300 | D277-S281 WeakPolarHBondContact O-CB 3.45Å; D277-S281 PolarHBondContact O-N 2.8Å; D277-S281 VanDerWaalsContact O-N 3.12Å; D277-S281 PolarHBondContact O-OG 2.98Å; D277-R300 IonicContact OD1-CZ 3.44Å; D277-R300 IonicContact OD1-NH1 3.69Å; D277-R300 PolarHBondContact OD1-NH1 2.91Å; D277-R300 IonicContact OD2-NH1 3.81Å |
| 278 | V | 49.7 | Very low | 50.7 | Low | 84 Ų | 84 | 96.2 Ų | 96.2 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.3 | -45.1 | -174.4 | -177 | 0 | 0 | 0 | 0 | 112.1 | D282 | V278-D282 PolarHBondContact O-N 3.42Å |
| 279 | L | 53.8 | Low | 52.6 | Low | 64 Ų | 64 | 92.6 Ų | 92.6 | 34% | 0.335 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -80.3 | -31.6 | -174.8 | -155.8 | 84.4 | 0 | 0 | 0 | 113.2 | Y69 A72 | Y69-L279 HydrophobicContact CD2-CD1 4.24Å; Y69-L279 HydrophobicContact CD2-CD2 3.45Å; Y69-L279 VanDerWaalsContact CD2-CD2 3.45Å; Y69-L279 HydrophobicContact CD2-CG 4.49Å; Y69-L279 HydrophobicContact CE2-CD1 4.47Å; Y69-L279 HydrophobicContact CE2-CD2 4.29Å; Y69-L279 HydrophobicContact CG-CD2 4.18Å; A72-L279 HydrophobicContact CB-CD2 3.92Å |
| 280 | S | 51.8 | Low | 54.8 | Low | 24 Ų | 24 | 85.2 Ų | 85.2 | 17% | 0.168 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -70.7 | -35.3 | 172.6 | -164.9 | 0 | 0 | 0 | 0 | 110.9 | L283 C284 L290 | S280-L283 PolarHBondContact O-N 2.97Å; S280-C284 WeakPolarHBondContact O-CB 3.49Å; S280-C284 PolarHBondContact O-N 2.81Å; S280-L290 PolarHBondContact OG-N 3.24Å |
| 281 | S | 53.3 | Low | 57.1 | Low | 48 Ų | 48 | 76.5 Ų | 76.5 | 34% | 0.336 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.1 | -35.3 | 175.2 | -63.5 | 0 | 0 | 0 | 0 | 113 | D277 L283 G285 | D277-S281 WeakPolarHBondContact O-CB 3.45Å; D277-S281 PolarHBondContact O-N 2.8Å; D277-S281 VanDerWaalsContact O-N 3.12Å; D277-S281 PolarHBondContact O-OG 2.98Å; S281-L283 VanDerWaalsContact C-N 3.29Å; S281-L283 PolarHBondContact O-N 3.02Å; S281-G285 WeakPolarHBondContact O-CA 3.3Å; S281-G285 PolarHBondContact O-N 2.87Å |
| 282 | D | 59.9 | Low | 59.1 | Low | 134 Ų | 134 | 77.7 Ų | 77.7 | 72% | 0.717 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -68.5 | -25.7 | 176.4 | -80.8 | -17.6 | 0 | 0 | 0 | 113.4 | V278 | V278-D282 PolarHBondContact O-N 3.42Å |
| 283 | L | 66.4 | Low | 60.8 | Low | 50 Ų | 50 | 82.2 Ų | 82.2 | 26% | 0.262 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -94.8 | -39.9 | -180 | -71.1 | 175 | 0 | 0 | 0 | 113.6 | A72 R76 S280 S281 L290 | A72-L283 HydrophobicContact CB-CD1 3.52Å; A72-L283 WeakPolarHBondContact O-CD1 3.49Å; R76-L283 HydrophobicContact CB-CD2 3.92Å; R76-L283 HydrophobicContact CG-CD2 4Å; S280-L283 PolarHBondContact O-N 2.97Å; S281-L283 VanDerWaalsContact C-N 3.29Å; S281-L283 PolarHBondContact O-N 3.02Å; L283-L290 HydrophobicContact CD1-CD2 4.3Å |
| 284 | C | 72 | Confident | 62.5 | Low | 17 Ų | 17 | 77.5 Ų | 77.5 | 12% | 0.115 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -110.8 | -10.5 | -172.7 | -74.7 | 0 | 0 | 0 | 0 | 114.3 | S280 K288 C297 | S280-C284 WeakPolarHBondContact O-CB 3.49Å; S280-C284 PolarHBondContact O-N 2.81Å; C284-K288 HydrophobicContact CB-CB 3.78Å; C284-K288 WeakPolarHBondContact O-CD 3.25Å; C284-C297 WeakPolarHBondContact CA-SG 3Å; C284-C297 HydrophobicContact CB-CB 3.5Å; C284-C297 WeakPolarHBondContact CB-SG 3.42Å; C284-C297 VanDerWaalsContact SG-CA 3.5Å; C284-C297 WeakPolarHBondContact SG-CB 3.34Å; C284-C297 CovalentContact SG-SG 2.03Å; C284-C297 PolarHBondContact SG-SG 3.27Å |
| 285 | G | 68.4 | Low | 64.5 | Low | 24 Ų | 24 | 70.4 Ų | 70.4 | 25% | 0.247 | 39% | 0.387 | C | S | . | . | trans | 83.6 | 173.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S281 | S281-G285 WeakPolarHBondContact O-CA 3.3Å; S281-G285 PolarHBondContact O-N 2.87Å | ||
| 286 | P | 64.7 | Low | 66 | Low | 103 Ų | 103 | 71 Ų | 71 | 67% | 0.669 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 150.6 | 177.4 | 26.9 | -34.1 | 0 | 0 | 0 | 111.7 | K288 | P286-K288 PolarHBondContact O-N 3.04Š|
| 287 | D | 66.9 | Low | 67.6 | Low | 120 Ų | 120 | 68.2 Ų | 68.2 | 64% | 0.642 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 10.9 | 177.5 | -53.1 | -44 | 0 | 0 | 0 | 116.4 | R300 C319 | D287-R300 PolarHBondContact O-N 3.18Å; D287-R300 VanDerWaalsContact O-N 3.15Å; D287-C319 HydrophobicContact CB-CB 4.36Å |
| 288 | K | 72.7 | Confident | 69 | Low | 40 Ų | 40 | 67.8 Ų | 67.8 | 17% | 0.174 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 135.4 | 176.4 | -66.3 | -174.7 | -165.4 | -172.1 | 0 | 112.1 | C284 P286 C297 V298 R316 N317 C319 | C284-K288 HydrophobicContact CB-CB 3.78Å; C284-K288 WeakPolarHBondContact O-CD 3.25Å; P286-K288 PolarHBondContact O-N 3.04Å; K288-C297 HydrophobicContact CB-CB 4.32Å; K288-C297 HydrophobicContact CD-CB 4.1Å; K288-V298 CarbonylContact C-O 3.38Å; K288-V298 VanDerWaalsContact CA-O 3.25Å; K288-V298 WeakPolarHBondContact CA-O 3.49Å; K288-R316 WeakPolarHBondContact CE-O 3.29Å; K288-R316 PolarHBondContact NZ-O 3.43Å; K288-N317 VanDerWaalsContact CE-O 3.27Å; K288-N317 WeakPolarHBondContact CE-O 3.46Å; K288-N317 PolarHBondContact NZ-O 2.66Å; K288-C319 WeakPolarHBondContact CE-SG 3.32Å; K288-C319 WeakPolarHBondContact CG-SG 3.25Å |
| 289 | E | 73.9 | Confident | 70.5 | Confident | 110 Ų | 110 | 64.6 Ų | 64.6 | 51% | 0.514 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 138.8 | 171.8 | -169.2 | 169 | -174.7 | 0 | 0 | 109.5 | D291 V298 | E289-D291 PolarHBondContact O-N 3.1Å; E289-V298 HydrophobicContact CB-CG2 4.49Å; E289-V298 PolarHBondContact N-O 3.45Å; E289-V298 WeakPolarHBondContact O-CG2 3.45Å; E289-V298 PolarHBondContact O-N 2.91Å |
| 290 | L | 77.6 | Confident | 71.3 | Confident | 13 Ų | 13 | 67.3 Ų | 67.3 | 7% | 0.068 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 114.3 | 173.8 | 177.3 | 68.1 | 0 | 0 | 0 | 109.3 | A72 C75 S280 L283 V292 | A72-L290 HydrophobicContact CB-CD2 4.19Å; C75-L290 HydrophobicContact CB-CD1 4.07Å; C75-L290 HydrophobicContact CB-CD2 3.77Å; C75-L290 HydrophobicContact CB-CG 4.43Å; S280-L290 PolarHBondContact OG-N 3.24Å; L283-L290 HydrophobicContact CD1-CD2 4.3Å; L290-V292 PolarHBondContact O-N 3.42Å |
| 291 | D | 77.3 | Confident | 71.9 | Confident | 57 Ų | 57 | 70.3 Ų | 70.3 | 31% | 0.305 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 112.7 | 166.4 | 179.3 | 57.9 | 0 | 0 | 0 | 109.5 | E289 E293 S294 C295 Q296 V298 | E289-D291 PolarHBondContact O-N 3.1Å; D291-E293 VanDerWaalsContact C-N 3.28Å; D291-E293 PolarHBondContact O-N 3.08Å; D291-S294 WeakPolarHBondContact OD2-CA 3.39Å; D291-S294 WeakPolarHBondContact OD2-CB 2.98Å; D291-S294 PolarHBondContact OD2-N 3.27Å; D291-S294 PolarHBondContact OD2-OG 2.87Å; D291-C295 WeakPolarHBondContact O-CA 3.41Å; D291-C295 PolarHBondContact O-N 3.38Å; D291-Q296 WeakPolarHBondContact CB-O 3.48Å; D291-Q296 PolarHBondContact N-O 2.91Å; D291-V298 HydrophobicContact CB-CG1 4.28Å; D291-V298 HydrophobicContact CB-CG2 4.29Å |
| 292 | V | 72.3 | Confident | 72 | Confident | 83 Ų | 83 | 75.4 Ų | 75.4 | 50% | 0.503 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -28.8 | -172.4 | 173.8 | 0 | 0 | 0 | 0 | 112.3 | A71 L290 | A71-V292 HydrophobicContact CB-CB 4.34Å; A71-V292 HydrophobicContact CB-CG1 3.49Å; A71-V292 VanDerWaalsContact CB-CG1 3.49Å; A71-V292 HydrophobicContact CB-CG2 3.92Å; L290-V292 PolarHBondContact O-N 3.42Å |
| 293 | E | 73.9 | Confident | 71.6 | Confident | 179 Ų | 179 | 73.2 Ų | 73.2 | 84% | 0.836 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -47 | -176.9 | -62.8 | -173.1 | 174.5 | 0 | 0 | 112 | D291 | D291-E293 VanDerWaalsContact C-N 3.28Å; D291-E293 PolarHBondContact O-N 3.08Å |
| 294 | S | 73.6 | Confident | 70.7 | Confident | 54 Ų | 54 | 76.9 Ų | 76.9 | 38% | 0.378 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -10.1 | 179.9 | 72.2 | 0 | 0 | 0 | 0 | 114.1 | D291 Q296 | D291-S294 WeakPolarHBondContact OD2-CA 3.39Å; D291-S294 WeakPolarHBondContact OD2-CB 2.98Å; D291-S294 PolarHBondContact OD2-N 3.27Å; D291-S294 PolarHBondContact OD2-OG 2.87Å; S294-Q296 PolarHBondContact O-N 2.87Å; S294-Q296 WeakPolarHBondContact OG-CB 3.38Å; S294-Q296 WeakPolarHBondContact OG-CG 3.12Å; S294-Q296 PolarHBondContact OG-N 3.48Å |
| 295 | C | 82.1 | Confident | 69.6 | Low | 12 Ų | 12 | 82 Ų | 82 | 8% | 0.081 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 36.8 | -170 | -66.6 | 0 | 0 | 0 | 0 | 113 | C75 K78 D291 | C75-C295 WeakPolarHBondContact CA-SG 3.43Å; C75-C295 HydrophobicContact CB-CB 3.57Å; C75-C295 WeakPolarHBondContact CB-SG 3.39Å; C75-C295 WeakPolarHBondContact SG-CA 3.46Å; C75-C295 WeakPolarHBondContact SG-CB 3.32Å; C75-C295 CovalentContact SG-SG 2.05Å; C75-C295 PolarHBondContact SG-SG 2.9Å; K78-C295 HydrophobicContact CD-CB 4.46Å; D291-C295 WeakPolarHBondContact O-CA 3.41Å; D291-C295 PolarHBondContact O-N 3.38Å |
| 296 | Q | 78.2 | Confident | 68.9 | Low | 101 Ų | 101 | 89.8 Ų | 89.8 | 47% | 0.472 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 140.5 | 176.3 | -62.9 | -178.5 | 14.3 | 0 | 0 | 110.2 | D291 S294 V298 | D291-Q296 WeakPolarHBondContact CB-O 3.48Å; D291-Q296 PolarHBondContact N-O 2.91Å; S294-Q296 PolarHBondContact O-N 2.87Å; S294-Q296 WeakPolarHBondContact OG-CB 3.38Å; S294-Q296 WeakPolarHBondContact OG-CG 3.12Å; S294-Q296 PolarHBondContact OG-N 3.48Å; Q296-V298 PolarHBondContact O-N 2.04Å |
| 297 | C | 80.8 | Confident | 68.7 | Low | 47 Ų | 47 | 92 Ų | 92 | 32% | 0.318 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 110.1 | 171 | -58.3 | 0 | 0 | 0 | 0 | 109 | C284 K288 | C284-C297 WeakPolarHBondContact CA-SG 3Å; C284-C297 HydrophobicContact CB-CB 3.5Å; C284-C297 WeakPolarHBondContact CB-SG 3.42Å; C284-C297 VanDerWaalsContact SG-CA 3.5Å; C284-C297 WeakPolarHBondContact SG-CB 3.34Å; C284-C297 CovalentContact SG-SG 2.03Å; C284-C297 PolarHBondContact SG-SG 3.27Å; K288-C297 HydrophobicContact CB-CB 4.32Å; K288-C297 HydrophobicContact CD-CB 4.1Å |
| 298 | V | 80.4 | Confident | 68.7 | Low | 59 Ų | 59 | 87.4 Ų | 87.4 | 36% | 0.358 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 148.8 | 177.6 | -64 | 0 | 0 | 0 | 0 | 109.6 | K288 E289 D291 Q296 | K288-V298 CarbonylContact C-O 3.38Å; K288-V298 VanDerWaalsContact CA-O 3.25Å; K288-V298 WeakPolarHBondContact CA-O 3.49Å; E289-V298 HydrophobicContact CB-CG2 4.49Å; E289-V298 PolarHBondContact N-O 3.45Å; E289-V298 WeakPolarHBondContact O-CG2 3.45Å; E289-V298 PolarHBondContact O-N 2.91Å; D291-V298 HydrophobicContact CB-CG1 4.28Å; D291-V298 HydrophobicContact CB-CG2 4.29Å; Q296-V298 PolarHBondContact O-N 2.04Å |
| 299 | C | 79.6 | Confident | 68.6 | Low | 18 Ų | 18 | 87.3 Ų | 87.3 | 12% | 0.122 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 139 | 176.1 | -60.1 | 0 | 0 | 0 | 0 | 110 | L301 L314 C319 | C299-L301 HydrophobicContact CB-CD1 4.09Å; C299-L301 WeakPolarHBondContact O-CD1 3.23Å; C299-L301 PolarHBondContact O-N 2.82Å; C299-L314 HydrophobicContact CB-CD2 3.93Å; C299-C319 WeakPolarHBondContact CA-SG 3.42Å; C299-C319 HydrophobicContact CB-CB 3.58Å; C299-C319 WeakPolarHBondContact CB-SG 3.49Å; C299-C319 WeakPolarHBondContact SG-CA 3.06Å; C299-C319 WeakPolarHBondContact SG-CB 3.15Å; C299-C319 CovalentContact SG-SG 2.03Å; C299-C319 PolarHBondContact SG-SG 2.88Å |
| 300 | R | 70.9 | Confident | 68.4 | Low | 120 Ų | 120 | 88.3 Ų | 88.3 | 45% | 0.453 | 48% | 0.478 | S | S | . | . | trans | -72.1 | 93.1 | 177.2 | -172.9 | 175.1 | 173.6 | 164.3 | -3.7 | 109.5 | D277 D287 E302 | D277-R300 IonicContact OD1-CZ 3.44Å; D277-R300 IonicContact OD1-NH1 3.69Å; D277-R300 PolarHBondContact OD1-NH1 2.91Å; D277-R300 IonicContact OD2-NH1 3.81Å; D287-R300 PolarHBondContact O-N 3.18Å; D287-R300 VanDerWaalsContact O-N 3.15Å; R300-E302 IonicContact NH2-OE1 3.05Å; R300-E302 PolarHBondContact O-N 3.29Å | ||
| 301 | L | 64.8 | Low | 68 | Low | 88 Ų | 88 | 93.8 Ų | 93.8 | 46% | 0.461 | 50% | 0.501 | S | S | . | . | trans | -88 | 96.9 | 169.9 | -79.3 | 89.5 | 0 | 0 | 0 | 108.7 | C299 N303 L314 | C299-L301 HydrophobicContact CB-CD1 4.09Å; C299-L301 WeakPolarHBondContact O-CD1 3.23Å; C299-L301 PolarHBondContact O-N 2.82Å; L301-N303 PolarHBondContact O-N 2.03Å; L301-L314 HydrophobicContact CD1-CD2 3.82Å | ||
| 302 | E | 55.3 | Low | 67.9 | Low | 154 Ų | 154 | 95.1 Ų | 95.1 | 72% | 0.72 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -60.7 | -0.9 | 173.1 | -94.3 | 179.4 | 167.9 | 0 | 0 | 114.3 | R300 | R300-E302 IonicContact NH2-OE1 3.05Å; R300-E302 PolarHBondContact O-N 3.29Å |
| 303 | N | 52.8 | Low | 68 | Low | 88 Ų | 88 | 95.4 Ų | 95.4 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | trans | -147.8 | 123 | 174 | -91.8 | -64.4 | 0 | 0 | 0 | 112.3 | L301 T305 R306 | L301-N303 PolarHBondContact O-N 2.03Å; N303-T305 PolarHBondContact O-N 2.84Å; N303-T305 VanDerWaalsContact O-N 3.08Å; N303-R306 PolarHBondContact O-N 2.84Å | ||
| 304 | P | 46.8 | Very low | 68.1 | Low | 128 Ų | 128 | 89.5 Ų | 89.5 | 83% | 0.831 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -9.8 | 176.6 | -18.3 | 29.6 | 0 | 0 | 0 | 115 | ||
| 305 | T | 49.2 | Very low | 68 | Low | 123 Ų | 123 | 89 Ų | 89 | 76% | 0.755 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 6.1 | -175 | 51.4 | 0 | 0 | 0 | 0 | 114.1 | N303 | N303-T305 PolarHBondContact O-N 2.84Å; N303-T305 VanDerWaalsContact O-N 3.08Å |
| 306 | R | 52.3 | Low | 67.4 | Low | 189 Ų | 189 | 96.9 Ų | 96.9 | 71% | 0.713 | 49% | 0.493 | S | S | * | . | trans | -107.4 | 66.4 | 174.6 | -77 | -175.6 | 150.2 | 176.6 | -4.3 | 110.7 | N303 C308 | N303-R306 PolarHBondContact O-N 2.84Å; R306-C308 PolarHBondContact O-N 2.67Å | ||
| 307 | D | 62.3 | Low | 66.9 | Low | 149 Ų | 149 | 98.3 Ų | 98.3 | 80% | 0.797 | 50% | 0.504 | S | S | * | . | trans | -50.4 | 124.1 | 144.7 | -80.3 | -34.5 | 0 | 0 | 0 | 106.1 | G309 | D307-G309 PolarHBondContact O-N 3.44Š| ||
| 308 | C | 66.4 | Low | 66.4 | Low | 23 Ų | 23 | 99.1 Ų | 99.1 | 16% | 0.155 | 51% | 0.507 | C | S | . | . | trans | -43.2 | 117.9 | 173.1 | -70.7 | 0 | 0 | 0 | 0 | 107 | R306 R312 L314 C321 | R306-C308 PolarHBondContact O-N 2.67Å; C308-R312 HydrophobicContact CB-CB 3.76Å; C308-R312 WeakPolarHBondContact CB-O 3.45Å; C308-L314 VanDerWaalsContact SG-CA 3.6Å; C308-L314 PolarHBondContact SG-N 2.02Å; C308-C321 VanDerWaalsContact CA-SG 3.55Å; C308-C321 HydrophobicContact CB-CB 3.68Å; C308-C321 WeakPolarHBondContact CB-SG 3.16Å; C308-C321 VanDerWaalsContact SG-CA 3.53Å; C308-C321 WeakPolarHBondContact SG-CB 3.13Å; C308-C321 CovalentContact SG-SG 2.04Å; C308-C321 PolarHBondContact SG-SG 3.43Å | ||
| 309 | G | 70.8 | Confident | 66.1 | Low | 38 Ų | 38 | 97.5 Ų | 97.5 | 39% | 0.392 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 172.4 | -165.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D307 K311 R312 | D307-G309 PolarHBondContact O-N 3.44Å; G309-K311 PolarHBondContact O-N 3.45Å; G309-R312 WeakPolarHBondContact O-CB 3.06Å; G309-R312 PolarHBondContact O-N 2.88Å |
| 310 | P | 69.3 | Low | 66 | Low | 132 Ų | 132 | 102.8 Ų | 102.8 | 86% | 0.857 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | 128.3 | -168.4 | 20.4 | -33 | 0 | 0 | 0 | 113.1 | ||
| 311 | K | 68.9 | Low | 66.3 | Low | 127 Ų | 127 | 99.9 Ų | 99.9 | 55% | 0.552 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | 21.6 | -175.6 | -48.9 | -178.3 | 179.4 | -175.3 | 0 | 116.4 | G309 D324 | G309-K311 PolarHBondContact O-N 3.45Å; K311-D324 WeakPolarHBondContact CA-OD2 3.05Å; K311-D324 PolarHBondContact O-N 3.15Å |
| 312 | R | 74.9 | Confident | 66.8 | Low | 86 Ų | 86 | 98 Ų | 98 | 33% | 0.325 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 146.1 | 171.7 | -62.3 | 177 | 177.7 | -162.9 | 2.3 | 109.8 | C308 G309 C321 V322 K339 E340 C342 | C308-R312 HydrophobicContact CB-CB 3.76Å; C308-R312 WeakPolarHBondContact CB-O 3.45Å; G309-R312 WeakPolarHBondContact O-CB 3.06Å; G309-R312 PolarHBondContact O-N 2.88Å; R312-C321 HydrophobicContact CB-CB 4.42Å; R312-V322 CarbonylContact C-O 3.54Å; R312-V322 WeakPolarHBondContact CA-O 3.1Å; R312-V322 WeakPolarHBondContact CB-O 3.44Å; R312-K339 PolarHBondContact NH2-O 2.86Å; R312-E340 PolarHBondContact NH2-O 3.1Å; R312-C342 VanDerWaalsContact CG-SG 3.52Å |
| 313 | H | 74.9 | Confident | 67.8 | Low | 89 Ų | 89 | 91.8 Ų | 91.8 | 41% | 0.412 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 155 | 167.9 | 65.2 | -86.7 | 0 | 0 | 0 | 110.1 | D315 C321 V322 D324 | H313-D315 PolarHBondContact O-N 3.19Å; H313-C321 CarbonylContact O-C 3.46Å; H313-C321 WeakPolarHBondContact O-CA 2.99Å; H313-V322 VanDerWaalsContact CE1-CG2 3.42Å; H313-V322 WeakPolarHBondContact CE1-CG2 3.36Å; H313-V322 PolarHBondContact N-O 2.82Å; H313-V322 WeakPolarHBondContact NE2-CG2 3.38Å; H313-V322 PolarHBondContact O-N 3.32Å; H313-D324 IonicContact CE1-OD1 2.68Å; H313-D324 IonicContact CG-OD1 2.87Å; H313-D324 IonicContact ND1-OD1 2.81Å; H313-D324 PolarHBondContact ND1-OD1 2.9Å |
| 314 | L | 76.9 | Confident | 68.8 | Low | 54 Ų | 54 | 91.9 Ų | 91.9 | 28% | 0.283 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 118.2 | 173.5 | -174.1 | 67.9 | 0 | 0 | 0 | 109.1 | C299 L301 C308 R316 | C299-L314 HydrophobicContact CB-CD2 3.93Å; L301-L314 HydrophobicContact CD1-CD2 3.82Å; C308-L314 VanDerWaalsContact SG-CA 3.6Å; C308-L314 PolarHBondContact SG-N 2.02Å; L314-R316 PolarHBondContact O-N 3.1Å |
| 315 | D | 69.9 | Low | 69.7 | Low | 44 Ų | 44 | 91 Ų | 91 | 24% | 0.235 | 47% | 0.471 | C | S | . | . | trans | -71.4 | 112.4 | 168.1 | 177.6 | 4.3 | 0 | 0 | 0 | 108.9 | H313 N317 T318 C319 Q320 V322 | H313-D315 PolarHBondContact O-N 3.19Å; D315-N317 PolarHBondContact O-N 2.05Å; D315-N317 WeakPolarHBondContact OD1-CB 3.49Å; D315-N317 PolarHBondContact OD1-N 3.32Å; D315-T318 WeakPolarHBondContact CB-OG1 3.04Å; D315-T318 PolarHBondContact O-N 3.01Å; D315-T318 WeakPolarHBondContact OD2-CB 3.13Å; D315-T318 VanDerWaalsContact OD2-CG2 3.3Å; D315-T318 WeakPolarHBondContact OD2-CG2 3.47Å; D315-T318 PolarHBondContact OD2-OG1 2.93Å; D315-C319 VanDerWaalsContact O-CA 3.25Å; D315-C319 WeakPolarHBondContact O-CA 3.43Å; D315-C319 PolarHBondContact O-N 3.39Å; D315-Q320 WeakPolarHBondContact CB-O 3.03Å; D315-Q320 PolarHBondContact N-O 2.94Å; D315-V322 HydrophobicContact CB-CG1 4.03Å; D315-V322 HydrophobicContact CB-CG2 4Å | ||
| 316 | R | 70.3 | Confident | 70 | Confident | 178 Ų | 178 | 92.7 Ų | 92.7 | 67% | 0.672 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -18.2 | -178.2 | -58 | 179.5 | 88.6 | -171.3 | 4.4 | 112.8 | K288 L314 | K288-R316 WeakPolarHBondContact CE-O 3.29Å; K288-R316 PolarHBondContact NZ-O 3.43Å; L314-R316 PolarHBondContact O-N 3.1Å |
| 317 | N | 67.5 | Low | 70.1 | Confident | 130 Ų | 130 | 89.8 Ų | 89.8 | 70% | 0.695 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -40.6 | -179.8 | -69.3 | -16.3 | 0 | 0 | 0 | 112.2 | K288 D315 | K288-N317 VanDerWaalsContact CE-O 3.27Å; K288-N317 WeakPolarHBondContact CE-O 3.46Å; K288-N317 PolarHBondContact NZ-O 2.66Å; D315-N317 PolarHBondContact O-N 2.05Å; D315-N317 WeakPolarHBondContact OD1-CB 3.49Å; D315-N317 PolarHBondContact OD1-N 3.32Å |
| 318 | T | 70.1 | Confident | 69.1 | Low | 64 Ų | 64 | 87.1 Ų | 87.1 | 39% | 0.393 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -10.7 | -177.4 | 59.7 | 0 | 0 | 0 | 0 | 113.9 | D315 Q320 | D315-T318 WeakPolarHBondContact CB-OG1 3.04Å; D315-T318 PolarHBondContact O-N 3.01Å; D315-T318 WeakPolarHBondContact OD2-CB 3.13Å; D315-T318 VanDerWaalsContact OD2-CG2 3.3Å; D315-T318 WeakPolarHBondContact OD2-CG2 3.47Å; D315-T318 PolarHBondContact OD2-OG1 2.93Å; T318-Q320 PolarHBondContact O-N 3.24Å |
| 319 | C | 75.4 | Confident | 68.7 | Low | 26 Ų | 26 | 91.5 Ų | 91.5 | 18% | 0.176 | 51% | 0.507 | C | S | . | . | trans | 56.6 | 27.2 | -172.6 | -65.1 | 0 | 0 | 0 | 0 | 114.5 | D287 K288 C299 D315 | D287-C319 HydrophobicContact CB-CB 4.36Å; K288-C319 WeakPolarHBondContact CE-SG 3.32Å; K288-C319 WeakPolarHBondContact CG-SG 3.25Å; C299-C319 WeakPolarHBondContact CA-SG 3.42Å; C299-C319 HydrophobicContact CB-CB 3.58Å; C299-C319 WeakPolarHBondContact CB-SG 3.49Å; C299-C319 WeakPolarHBondContact SG-CA 3.06Å; C299-C319 WeakPolarHBondContact SG-CB 3.15Å; C299-C319 CovalentContact SG-SG 2.03Å; C299-C319 PolarHBondContact SG-SG 2.88Å; D315-C319 VanDerWaalsContact O-CA 3.25Å; D315-C319 WeakPolarHBondContact O-CA 3.43Å; D315-C319 PolarHBondContact O-N 3.39Å | ||
| 320 | Q | 76.1 | Confident | 68.5 | Low | 129 Ų | 129 | 94.6 Ų | 94.6 | 60% | 0.603 | 52% | 0.522 | S | S | * | . | trans | -108.9 | 143.3 | 176.7 | -64.7 | 178.7 | 8 | 0 | 0 | 110.3 | D315 T318 V322 | D315-Q320 WeakPolarHBondContact CB-O 3.03Å; D315-Q320 PolarHBondContact N-O 2.94Å; T318-Q320 PolarHBondContact O-N 3.24Å; Q320-V322 PolarHBondContact O-N 2.77Å | ||
| 321 | C | 77.3 | Confident | 68.4 | Low | 59 Ų | 59 | 89.3 Ų | 89.3 | 40% | 0.399 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 112 | 170.1 | -67.2 | 0 | 0 | 0 | 0 | 109.7 | C308 R312 H313 | C308-C321 VanDerWaalsContact CA-SG 3.55Å; C308-C321 HydrophobicContact CB-CB 3.68Å; C308-C321 WeakPolarHBondContact CB-SG 3.16Å; C308-C321 VanDerWaalsContact SG-CA 3.53Å; C308-C321 WeakPolarHBondContact SG-CB 3.13Å; C308-C321 CovalentContact SG-SG 2.04Å; C308-C321 PolarHBondContact SG-SG 3.43Å; R312-C321 HydrophobicContact CB-CB 4.42Å; H313-C321 CarbonylContact O-C 3.46Å; H313-C321 WeakPolarHBondContact O-CA 2.99Å |
| 322 | V | 75.1 | Confident | 68.4 | Low | 49 Ų | 49 | 87.2 Ų | 87.2 | 30% | 0.297 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 153.4 | 177.4 | -61.4 | 0 | 0 | 0 | 0 | 110.3 | R312 H313 D315 Q320 | R312-V322 CarbonylContact C-O 3.54Å; R312-V322 WeakPolarHBondContact CA-O 3.1Å; R312-V322 WeakPolarHBondContact CB-O 3.44Å; H313-V322 VanDerWaalsContact CE1-CG2 3.42Å; H313-V322 WeakPolarHBondContact CE1-CG2 3.36Å; H313-V322 PolarHBondContact N-O 2.82Å; H313-V322 WeakPolarHBondContact NE2-CG2 3.38Å; H313-V322 PolarHBondContact O-N 3.32Å; D315-V322 HydrophobicContact CB-CG1 4.03Å; D315-V322 HydrophobicContact CB-CG2 4Å; Q320-V322 PolarHBondContact O-N 2.77Å |
| 323 | C | 77.9 | Confident | 68.1 | Low | 22 Ų | 22 | 91.3 Ų | 91.3 | 15% | 0.149 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 143.9 | 179.2 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | M325 F337 C342 | C323-M325 VanDerWaalsContact C-N 3.28Å; C323-M325 HydrophobicContact CB-CG 4.36Å; C323-M325 PolarHBondContact O-N 3.44Å; C323-F337 HydrophobicContact CB-CZ 3.9Å; C323-C342 HydrophobicContact CB-CB 3.61Å; C323-C342 WeakPolarHBondContact CB-SG 3.01Å; C323-C342 VanDerWaalsContact SG-CA 3.57Å; C323-C342 WeakPolarHBondContact SG-CB 3.25Å; C323-C342 CovalentContact SG-SG 2.03Å; C323-C342 PolarHBondContact SG-SG 2.85Å |
| 324 | D | 72.3 | Confident | 67.8 | Low | 91 Ų | 91 | 91.3 Ų | 91.3 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | trans | -68.8 | 82.4 | 171.9 | -62.5 | -38.3 | 0 | 0 | 0 | 110.3 | K311 H313 L326 | K311-D324 WeakPolarHBondContact CA-OD2 3.05Å; K311-D324 PolarHBondContact O-N 3.15Å; H313-D324 IonicContact CE1-OD1 2.68Å; H313-D324 IonicContact CG-OD1 2.87Å; H313-D324 IonicContact ND1-OD1 2.81Å; H313-D324 PolarHBondContact ND1-OD1 2.9Å; D324-L326 PolarHBondContact O-N 3.29Å | ||
| 325 | M | 65.2 | Low | 67.7 | Low | 110 Ų | 110 | 90.7 Ų | 90.7 | 54% | 0.542 | 51% | 0.509 | S | S | . | . | trans | -86.2 | 108.3 | 176.1 | -65.8 | -69.5 | -80.8 | 0 | 0 | 108.8 | C323 F337 | C323-M325 VanDerWaalsContact C-N 3.28Å; C323-M325 HydrophobicContact CB-CG 4.36Å; C323-M325 PolarHBondContact O-N 3.44Å; M325-F337 HydrophobicContact CE-CD2 4.22Å; M325-F337 HydrophobicContact CE-CE2 4.03Å; M325-F337 HydrophobicContact CE-CZ 4.45Å; M325-F337 HydrophobicContact SD-CD2 4.23Å; M325-F337 HydrophobicContact SD-CE2 3.47Å; M325-F337 WeakPolarHBondContact SD-CE2 3.49Å; M325-F337 HydrophobicContact SD-CZ 3.73Å | ||
| 326 | L | 56.3 | Low | 67.9 | Low | 158 Ų | 158 | 92.7 Ų | 92.7 | 83% | 0.827 | 52% | 0.519 | S | S | * | . | trans | -53.4 | 143.9 | 163.6 | -71.5 | 163.8 | 0 | 0 | 0 | 109.2 | D324 A328 | D324-L326 PolarHBondContact O-N 3.29Å; L326-A328 PolarHBondContact O-N 2.96Å | ||
| 327 | P | 54.5 | Low | 68.1 | Low | 128 Ų | 128 | 87.3 Ų | 87.3 | 83% | 0.831 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -69.4 | 101.3 | -165.1 | 26.5 | -33 | 0 | 0 | 0 | 112.3 | ||
| 328 | A | 41.9 | Very low | 68.3 | Low | 92 Ų | 92 | 83.6 Ų | 83.6 | 76% | 0.76 | 48% | 0.48 | S | S | * | . | S | Bend | trans | 62.8 | 155.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | L326 | L326-A328 PolarHBondContact O-N 2.96Š|
| 329 | P | 56.8 | Low | 68.2 | Low | 116 Ų | 116 | 88.8 Ų | 88.8 | 75% | 0.753 | 50% | 0.497 | S | S | * | . | cis | -94.9 | 178.9 | -11.9 | 22.8 | -3.6 | 0 | 0 | 0 | 110.8 | ||||
| 330 | S | 67 | Low | 67.8 | Low | 103 Ų | 103 | 95.1 Ų | 95.1 | 72% | 0.72 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -30.6 | 148.3 | 167 | 38.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 331 | C | 66.9 | Low | 67.5 | Low | 20 Ų | 20 | 92.1 Ų | 92.1 | 14% | 0.135 | 52% | 0.515 | C | S | . | . | S | Bend | trans | -29.9 | 139.8 | 178.6 | -67.8 | 0 | 0 | 0 | 0 | 114.2 | H335 F337 C344 | C331-H335 HydrophobicContact CB-CB 3.82Å; C331-H335 WeakPolarHBondContact CB-O 3.43Å; C331-F337 VanDerWaalsContact SG-CB 3.56Å; C331-C344 VanDerWaalsContact CA-SG 3.51Å; C331-C344 HydrophobicContact CB-CB 3.65Å; C331-C344 WeakPolarHBondContact CB-SG 3.45Å; C331-C344 WeakPolarHBondContact SG-CB 3.41Å; C331-C344 CovalentContact SG-SG 2.02Å; C331-C344 PolarHBondContact SG-SG 3Å |
| 332 | P | 70.1 | Confident | 67.4 | Low | 83 Ų | 83 | 90.1 Ų | 90.1 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -52.8 | 154 | -177.3 | 18.5 | -29.6 | 0 | 0 | 0 | 112.7 | N334 H335 | P332-N334 PolarHBondContact O-N 3.37Å; P332-H335 VanDerWaalsContact O-CB 3.27Å; P332-H335 WeakPolarHBondContact O-CB 3.44Å; P332-H335 PolarHBondContact O-N 2.96Å; P332-H335 PolarHBondContact O-ND1 2.94Å |
| 333 | Q | 68.6 | Low | 67.3 | Low | 172 Ų | 172 | 92.6 Ų | 92.6 | 80% | 0.804 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -40.3 | 128.6 | -173.9 | -140.1 | 101.4 | -10.1 | 0 | 0 | 113 | H335 | Q333-H335 VanDerWaalsContact C-N 3.34Å; Q333-H335 PolarHBondContact O-N 3.22Å; Q333-H335 PolarHBondContact O-ND1 3.5Å |
| 334 | N | 67.8 | Low | 67.3 | Low | 89 Ų | 89 | 94.1 Ų | 94.1 | 48% | 0.476 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 12.2 | -176.6 | -48.5 | -52 | 0 | 0 | 0 | 117.1 | P332 N347 K348 C361 | P332-N334 PolarHBondContact O-N 3.37Å; N334-N347 PolarHBondContact O-N 2.99Å; N334-K348 HydrophobicContact CB-CB 4.34Å; N334-C361 PolarHBondContact O-SG 3.32Å; N334-C361 VanDerWaalsContact O-SG 3.37Å |
| 335 | H | 74.5 | Confident | 67.4 | Low | 41 Ų | 41 | 93 Ų | 93 | 19% | 0.19 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 137.2 | 170.2 | -59.6 | 73.6 | 0 | 0 | 0 | 111 | C331 P332 Q333 C344 T345 C361 | C331-H335 HydrophobicContact CB-CB 3.82Å; C331-H335 WeakPolarHBondContact CB-O 3.43Å; P332-H335 VanDerWaalsContact O-CB 3.27Å; P332-H335 WeakPolarHBondContact O-CB 3.44Å; P332-H335 PolarHBondContact O-N 2.96Å; P332-H335 PolarHBondContact O-ND1 2.94Å; Q333-H335 VanDerWaalsContact C-N 3.34Å; Q333-H335 PolarHBondContact O-N 3.22Å; Q333-H335 PolarHBondContact O-ND1 3.5Å; H335-C344 HydrophobicContact CB-CB 3.97Å; H335-T345 CarbonylContact C-O 3.55Å; H335-T345 VanDerWaalsContact CA-O 3.25Å; H335-T345 WeakPolarHBondContact CA-O 3.11Å; H335-C361 WeakPolarHBondContact CE1-CB 3.26Å |
| 336 | I | 73.8 | Confident | 68.2 | Low | 87 Ų | 87 | 89.4 Ų | 89.4 | 45% | 0.446 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 135.3 | 173.7 | -65.1 | -175.4 | 0 | 0 | 0 | 108.5 | N338 C344 T345 N347 | I336-N338 PolarHBondContact O-N 3.32Å; I336-C344 CarbonylContact O-C 3.53Å; I336-C344 WeakPolarHBondContact O-CA 3.27Å; I336-T345 PolarHBondContact N-O 3Å; I336-T345 PolarHBondContact O-N 3.5Å; I336-T345 PolarHBondContact O-OG1 3.33Å; I336-N347 HydrophobicContact CD1-CB 3.53Å; I336-N347 WeakPolarHBondContact CD1-ND2 3.25Å; I336-N347 HydrophobicContact CG1-CB 3.75Å |
| 337 | F | 75.6 | Confident | 69.2 | Low | 65 Ų | 65 | 86.9 Ų | 86.9 | 29% | 0.285 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 120.4 | 174.4 | -174.8 | -107.6 | 0 | 0 | 0 | 110.6 | C323 M325 C331 K339 C342 | C323-F337 HydrophobicContact CB-CZ 3.9Å; M325-F337 HydrophobicContact CE-CD2 4.22Å; M325-F337 HydrophobicContact CE-CE2 4.03Å; M325-F337 HydrophobicContact CE-CZ 4.45Å; M325-F337 HydrophobicContact SD-CD2 4.23Å; M325-F337 HydrophobicContact SD-CE2 3.47Å; M325-F337 WeakPolarHBondContact SD-CE2 3.49Å; M325-F337 HydrophobicContact SD-CZ 3.73Å; C331-F337 VanDerWaalsContact SG-CB 3.56Å; F337-K339 HydrophobicContact CD1-CG 4.24Å; F337-K339 HydrophobicContact CE1-CG 4.39Å; F337-C342 HydrophobicContact CZ-CB 4.44Å |
| 338 | N | 71.5 | Confident | 70.2 | Confident | 52 Ų | 52 | 84.4 Ų | 84.4 | 28% | 0.278 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 114.7 | 171.5 | -174.7 | -29.5 | 0 | 0 | 0 | 109.7 | I336 E340 T341 C342 Q343 | I336-N338 PolarHBondContact O-N 3.32Å; N338-E340 VanDerWaalsContact C-N 3.27Å; N338-E340 PolarHBondContact O-N 2.92Å; N338-E340 WeakPolarHBondContact OD1-CB 3.01Å; N338-E340 PolarHBondContact OD1-N 2.79Å; N338-T341 WeakPolarHBondContact CB-OG1 3.41Å; N338-T341 VanDerWaalsContact CG-OG1 3.31Å; N338-T341 PolarHBondContact OD1-N 2.73Å; N338-C342 WeakPolarHBondContact O-CA 3.46Å; N338-C342 PolarHBondContact O-N 2.03Å; N338-Q343 PolarHBondContact N-O 3.19Å |
| 339 | K | 68.5 | Low | 71.9 | Confident | 172 Ų | 172 | 86.1 Ų | 86.1 | 75% | 0.748 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -24.7 | -179.1 | -63.7 | -177.4 | 179.5 | -178.3 | 0 | 113.5 | R312 F337 | R312-K339 PolarHBondContact NH2-O 2.86Å; F337-K339 HydrophobicContact CD1-CG 4.24Å; F337-K339 HydrophobicContact CE1-CG 4.39Å |
| 340 | E | 67 | Low | 72.9 | Confident | 159 Ų | 159 | 82 Ų | 82 | 74% | 0.743 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -36.7 | -179.1 | -64 | 176.7 | -178.4 | 0 | 0 | 112.1 | R312 N338 | R312-E340 PolarHBondContact NH2-O 3.1Å; N338-E340 VanDerWaalsContact C-N 3.27Å; N338-E340 PolarHBondContact O-N 2.92Å; N338-E340 WeakPolarHBondContact OD1-CB 3.01Å; N338-E340 PolarHBondContact OD1-N 2.79Å |
| 341 | T | 68.4 | Low | 73.4 | Confident | 66 Ų | 66 | 81 Ų | 81 | 41% | 0.405 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -5.8 | -179 | 59.1 | 0 | 0 | 0 | 0 | 113.7 | N338 Q343 | N338-T341 WeakPolarHBondContact CB-OG1 3.41Å; N338-T341 VanDerWaalsContact CG-OG1 3.31Å; N338-T341 PolarHBondContact OD1-N 2.73Å; T341-Q343 WeakPolarHBondContact O-CG 3.01Å; T341-Q343 PolarHBondContact O-N 2.03Å |
| 342 | C | 74.8 | Confident | 73.5 | Confident | 18 Ų | 18 | 91.8 Ų | 91.8 | 12% | 0.122 | 47% | 0.469 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 39.3 | -173.1 | -60 | 0 | 0 | 0 | 0 | 112.2 | R312 C323 F337 N338 | R312-C342 VanDerWaalsContact CG-SG 3.52Å; C323-C342 HydrophobicContact CB-CB 3.61Å; C323-C342 WeakPolarHBondContact CB-SG 3.01Å; C323-C342 VanDerWaalsContact SG-CA 3.57Å; C323-C342 WeakPolarHBondContact SG-CB 3.25Å; C323-C342 CovalentContact SG-SG 2.03Å; C323-C342 PolarHBondContact SG-SG 2.85Å; F337-C342 HydrophobicContact CZ-CB 4.44Å; N338-C342 WeakPolarHBondContact O-CA 3.46Å; N338-C342 PolarHBondContact O-N 2.03Å |
| 343 | Q | 74.2 | Confident | 73.6 | Confident | 100 Ų | 100 | 93.3 Ų | 93.3 | 47% | 0.467 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 150.9 | -176.8 | -72 | 175.5 | 25.9 | 0 | 0 | 111.6 | N338 T341 | N338-Q343 PolarHBondContact N-O 3.19Å; T341-Q343 WeakPolarHBondContact O-CG 3.01Å; T341-Q343 PolarHBondContact O-N 2.03Å |
| 344 | C | 76.9 | Confident | 74 | Confident | 55 Ų | 55 | 88 Ų | 88 | 37% | 0.372 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 119 | 174.9 | -61.8 | 0 | 0 | 0 | 0 | 110.3 | C331 H335 I336 | C331-C344 VanDerWaalsContact CA-SG 3.51Å; C331-C344 HydrophobicContact CB-CB 3.65Å; C331-C344 WeakPolarHBondContact CB-SG 3.45Å; C331-C344 WeakPolarHBondContact SG-CB 3.41Å; C331-C344 CovalentContact SG-SG 2.02Å; C331-C344 PolarHBondContact SG-SG 3Å; H335-C344 HydrophobicContact CB-CB 3.97Å; I336-C344 CarbonylContact O-C 3.53Å; I336-C344 WeakPolarHBondContact O-CA 3.27Å |
| 345 | T | 75.2 | Confident | 74.5 | Confident | 67 Ų | 67 | 87.1 Ų | 87.1 | 41% | 0.411 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 135.8 | 177.9 | 53.7 | 0 | 0 | 0 | 0 | 111 | H335 I336 N347 | H335-T345 CarbonylContact C-O 3.55Å; H335-T345 VanDerWaalsContact CA-O 3.25Å; H335-T345 WeakPolarHBondContact CA-O 3.11Å; I336-T345 PolarHBondContact N-O 3Å; I336-T345 PolarHBondContact O-N 3.5Å; I336-T345 PolarHBondContact O-OG1 3.33Å; T345-N347 PolarHBondContact O-N 2.84Å |
| 346 | C | 81.4 | Confident | 74.8 | Confident | 34 Ų | 34 | 88.1 Ų | 88.1 | 23% | 0.23 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 127.2 | 178.2 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | C361 | C346-C361 VanDerWaalsContact CA-SG 3.59Å; C346-C361 HydrophobicContact CB-CB 3.66Å; C346-C361 WeakPolarHBondContact CB-SG 3.42Å; C346-C361 WeakPolarHBondContact SG-CA 3.47Å; C346-C361 WeakPolarHBondContact SG-CB 3.39Å; C346-C361 CovalentContact SG-SG 2.03Å; C346-C361 PolarHBondContact SG-SG 3.32Å |
| 347 | N | 77.9 | Confident | 74.9 | Confident | 106 Ų | 106 | 86.1 Ų | 86.1 | 57% | 0.567 | 44% | 0.44 | S | S | * | . | trans | -111.3 | 24.1 | 176.8 | -170.8 | 32.1 | 0 | 0 | 0 | 113.1 | N334 I336 T345 | N334-N347 PolarHBondContact O-N 2.99Å; I336-N347 HydrophobicContact CD1-CB 3.53Å; I336-N347 WeakPolarHBondContact CD1-ND2 3.25Å; I336-N347 HydrophobicContact CG1-CB 3.75Å; T345-N347 PolarHBondContact O-N 2.84Å | ||
| 348 | K | 75.3 | Confident | 74.8 | Confident | 76 Ų | 76 | 91.4 Ų | 91.4 | 33% | 0.33 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -82.2 | 125.3 | -177.8 | -165.1 | 175.5 | -172.2 | 175.6 | 0 | 110.8 | N334 L356 C361 | N334-K348 HydrophobicContact CB-CB 4.34Å; K348-L356 HydrophobicContact CB-CD1 3.92Å; K348-L356 HydrophobicContact CG-CD1 4.47Å; K348-L356 WeakPolarHBondContact O-CD2 3.03Å; K348-C361 WeakPolarHBondContact CD-O 3.02Å |
| 349 | T | 76.9 | Confident | 74.7 | Confident | 127 Ų | 127 | 94.7 Ų | 94.7 | 78% | 0.779 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -93.4 | 125.5 | 171.6 | -53.4 | 0 | 0 | 0 | 0 | 109.1 | ||
| 350 | C | 77.8 | Confident | 74.8 | Confident | 29 Ų | 29 | 93.3 Ų | 93.3 | 20% | 0.196 | 48% | 0.479 | C | S | . | . | P | Polyproline II helix | trans | -101.5 | 151.5 | -179.3 | -63.2 | 0 | 0 | 0 | 0 | 112.1 | Q354 L356 C363 | C350-Q354 WeakPolarHBondContact CB-O 3.25Å; C350-L356 VanDerWaalsContact SG-CD1 3.51Å; C350-C363 WeakPolarHBondContact CA-SG 3.4Å; C350-C363 HydrophobicContact CB-CB 3.75Å; C350-C363 WeakPolarHBondContact CB-SG 3.14Å; C350-C363 WeakPolarHBondContact SG-CA 3.27Å; C350-C363 WeakPolarHBondContact SG-CB 3.35Å; C350-C363 CovalentContact SG-SG 2.03Å; C350-C363 PolarHBondContact SG-SG 3.31Å |
| 351 | P | 77.4 | Confident | 75.4 | Confident | 84 Ų | 84 | 86 Ų | 86 | 55% | 0.545 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 154.5 | 173.4 | -21.9 | 32.3 | 0 | 0 | 0 | 112.2 | H353 Q354 | P351-H353 PolarHBondContact O-N 2.03Å; P351-Q354 PolarHBondContact O-N 3.16Å |
| 352 | R | 70.3 | Confident | 75.9 | Confident | 245 Ų | 245 | 84 Ų | 84 | 93% | 0.925 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -25.7 | -176.1 | -116.6 | -169.2 | 177.9 | -170.1 | 0.1 | 115.3 | ||
| 353 | H | 71.3 | Confident | 76.2 | Confident | 115 Ų | 115 | 84 Ų | 84 | 53% | 0.532 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 6 | -175.2 | -58.4 | -63.7 | 0 | 0 | 0 | 114.3 | P351 T383 | P351-H353 PolarHBondContact O-N 2.03Å; H353-T383 WeakPolarHBondContact CB-O 3.48Å |
| 354 | Q | 77.4 | Confident | 76.5 | Confident | 60 Ų | 60 | 82.8 Ų | 82.8 | 28% | 0.28 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -132.7 | 105.2 | -178.6 | -164.5 | 174.5 | 24.7 | 0 | 0 | 110.4 | C350 P351 C363 | C350-Q354 WeakPolarHBondContact CB-O 3.25Å; P351-Q354 PolarHBondContact O-N 3.16Å; Q354-C363 HydrophobicContact CB-CB 4.24Å; Q354-C363 VanDerWaalsContact CD-C 3.41Å; Q354-C363 HydrophobicContact CG-CB 3.56Å; Q354-C363 PolarHBondContact NE2-O 2.87Å |
| 355 | P | 77.8 | Confident | 76.6 | Confident | 71 Ų | 71 | 82.2 Ų | 82.2 | 46% | 0.461 | 43% | 0.425 | S | S | . | . | trans | -65.7 | 146.9 | 178.7 | 24.2 | -32.2 | 0 | 0 | 0 | 112.4 | E364 N366 | P355-E364 WeakPolarHBondContact CD-O 3.48Å; P355-E364 VanDerWaalsContact CG-O 3.31Å; P355-E364 WeakPolarHBondContact CG-O 3.04Å; P355-E364 PolarHBondContact O-N 2.95Å; P355-N366 HydrophobicContact CG-CB 4.36Å | ||
| 356 | L | 80.8 | Confident | 76.6 | Confident | 63 Ų | 63 | 84.2 Ų | 84.2 | 33% | 0.33 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 122.8 | 176.7 | 178.8 | 69 | 0 | 0 | 0 | 110.8 | K348 C350 K358 | K348-L356 HydrophobicContact CB-CD1 3.92Å; K348-L356 HydrophobicContact CG-CD1 4.47Å; K348-L356 WeakPolarHBondContact O-CD2 3.03Å; C350-L356 VanDerWaalsContact SG-CD1 3.51Å; L356-K358 PolarHBondContact O-N 2.9Å |
| 357 | N | 77.1 | Confident | 76.4 | Confident | 45 Ų | 45 | 85.3 Ų | 85.3 | 24% | 0.241 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 109.9 | 167.2 | -170 | -26.1 | 0 | 0 | 0 | 109.8 | T359 C361 S362 E364 | N357-T359 VanDerWaalsContact C-N 3.34Å; N357-T359 PolarHBondContact O-N 2.79Å; N357-T359 PolarHBondContact OD1-N 3.38Å; N357-T359 PolarHBondContact OD1-OG1 3.41Å; N357-C361 VanDerWaalsContact O-CA 3.25Å; N357-C361 WeakPolarHBondContact O-CA 3.01Å; N357-C361 PolarHBondContact O-N 3.05Å; N357-S362 WeakPolarHBondContact CB-O 3.39Å; N357-S362 PolarHBondContact N-O 3.39Å; N357-S362 PolarHBondContact O-N 3.48Å; N357-E364 PolarHBondContact ND2-OE2 2.77Å |
| 358 | K | 72.4 | Confident | 76.4 | Confident | 175 Ų | 175 | 82.8 Ų | 82.8 | 76% | 0.761 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -26 | -173.3 | -65.8 | -177.2 | 179.9 | -179.5 | 0 | 114.6 | L356 | L356-K358 PolarHBondContact O-N 2.9Š|
| 359 | T | 69.1 | Low | 76.5 | Confident | 121 Ų | 121 | 82.9 Ų | 82.9 | 74% | 0.742 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -32.9 | -176.7 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | N357 | N357-T359 VanDerWaalsContact C-N 3.34Å; N357-T359 PolarHBondContact O-N 2.79Å; N357-T359 PolarHBondContact OD1-N 3.38Å; N357-T359 PolarHBondContact OD1-OG1 3.41Å |
| 360 | K | 72.3 | Confident | 76.3 | Confident | 144 Ų | 144 | 82.5 Ų | 82.5 | 63% | 0.626 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -8.3 | 176.8 | -66.5 | -178.5 | -178.2 | 177 | 0 | 113.4 | S362 | K360-S362 WeakPolarHBondContact CB-OG 3Å; K360-S362 PolarHBondContact O-N 3.43Å |
| 361 | C | 79.4 | Confident | 76.2 | Confident | 4 Ų | 4 | 86.4 Ų | 86.4 | 3% | 0.027 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 41.5 | -171.1 | -162.1 | 0 | 0 | 0 | 0 | 112.2 | N334 H335 C346 K348 N357 | N334-C361 PolarHBondContact O-SG 3.32Å; N334-C361 VanDerWaalsContact O-SG 3.37Å; H335-C361 WeakPolarHBondContact CE1-CB 3.26Å; C346-C361 VanDerWaalsContact CA-SG 3.59Å; C346-C361 HydrophobicContact CB-CB 3.66Å; C346-C361 WeakPolarHBondContact CB-SG 3.42Å; C346-C361 WeakPolarHBondContact SG-CA 3.47Å; C346-C361 WeakPolarHBondContact SG-CB 3.39Å; C346-C361 CovalentContact SG-SG 2.03Å; C346-C361 PolarHBondContact SG-SG 3.32Å; K348-C361 WeakPolarHBondContact CD-O 3.02Å; N357-C361 VanDerWaalsContact O-CA 3.25Å; N357-C361 WeakPolarHBondContact O-CA 3.01Å; N357-C361 PolarHBondContact O-N 3.05Å |
| 362 | S | 78.4 | Confident | 76.1 | Confident | 24 Ų | 24 | 82.4 Ų | 82.4 | 17% | 0.168 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 144.7 | -178.8 | 54.9 | 0 | 0 | 0 | 0 | 109.8 | N357 K360 E364 | N357-S362 WeakPolarHBondContact CB-O 3.39Å; N357-S362 PolarHBondContact N-O 3.39Å; N357-S362 PolarHBondContact O-N 3.48Å; K360-S362 WeakPolarHBondContact CB-OG 3Å; K360-S362 PolarHBondContact O-N 3.43Å; S362-E364 PolarHBondContact OG-OE1 2Å |
| 363 | C | 82.1 | Confident | 76.1 | Confident | 20 Ų | 20 | 78.4 Ų | 78.4 | 14% | 0.135 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 123.2 | 168.2 | -52.2 | 0 | 0 | 0 | 0 | 105.5 | C350 Q354 | C350-C363 WeakPolarHBondContact CA-SG 3.4Å; C350-C363 HydrophobicContact CB-CB 3.75Å; C350-C363 WeakPolarHBondContact CB-SG 3.14Å; C350-C363 WeakPolarHBondContact SG-CA 3.27Å; C350-C363 WeakPolarHBondContact SG-CB 3.35Å; C350-C363 CovalentContact SG-SG 2.03Å; C350-C363 PolarHBondContact SG-SG 3.31Å; Q354-C363 HydrophobicContact CB-CB 4.24Å; Q354-C363 VanDerWaalsContact CD-C 3.41Å; Q354-C363 HydrophobicContact CG-CB 3.56Å; Q354-C363 PolarHBondContact NE2-O 2.87Å |
| 364 | E | 79.4 | Confident | 76.1 | Confident | 74 Ų | 74 | 80 Ų | 80 | 35% | 0.346 | 42% | 0.416 | S | S | . | . | trans | -131.5 | 142.5 | -177.7 | -72.3 | 174.9 | -175.5 | 0 | 0 | 109.2 | P355 N357 S362 | P355-E364 WeakPolarHBondContact CD-O 3.48Å; P355-E364 VanDerWaalsContact CG-O 3.31Å; P355-E364 WeakPolarHBondContact CG-O 3.04Å; P355-E364 PolarHBondContact O-N 2.95Å; N357-E364 PolarHBondContact ND2-OE2 2.77Å; S362-E364 PolarHBondContact OG-OE1 2Å | ||
| 365 | C | 79.8 | Confident | 75.8 | Confident | 43 Ų | 43 | 85.7 Ų | 85.7 | 29% | 0.291 | 44% | 0.435 | S | S | . | . | trans | -83.1 | 136.2 | -179.9 | -63.7 | 0 | 0 | 0 | 0 | 110.4 | E367 F379 C384 | C365-E367 VanDerWaalsContact C-N 3.32Å; C365-F379 HydrophobicContact CB-CZ 4.4Å; C365-C384 HydrophobicContact CB-CB 3.47Å; C365-C384 VanDerWaalsContact CB-CB 3.47Å; C365-C384 WeakPolarHBondContact CB-SG 3.44Å; C365-C384 WeakPolarHBondContact SG-CB 3.31Å; C365-C384 CovalentContact SG-SG 2Å; C365-C384 PolarHBondContact SG-SG 2.89Å | ||
| 366 | N | 75.1 | Confident | 75.2 | Confident | 109 Ų | 109 | 85.2 Ų | 85.2 | 58% | 0.583 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -70.8 | -29.6 | 179.5 | 61.5 | -12.6 | 0 | 0 | 0 | 112.6 | P355 | P355-N366 HydrophobicContact CG-CB 4.36Š|
| 367 | E | 77.5 | Confident | 74.9 | Confident | 57 Ų | 57 | 87.2 Ų | 87.2 | 27% | 0.266 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -100.3 | 138.5 | 175.8 | -64.7 | -170.8 | 157.1 | 0 | 0 | 110.1 | C365 F379 S385 C386 | C365-E367 VanDerWaalsContact C-N 3.32Å; E367-F379 HydrophobicContact CB-CD2 4.43Å; E367-F379 HydrophobicContact CB-CE2 4.2Å; E367-F379 WeakPolarHBondContact O-CE2 3.1Å; E367-S385 WeakPolarHBondContact OE2-CA 3.44Å; E367-C386 PolarHBondContact OE2-N 3.44Å; E367-C386 PolarHBondContact OE2-SG 3.36Å |
| 368 | S | 77.4 | Confident | 74.8 | Confident | 53 Ų | 53 | 94.7 Ų | 94.7 | 37% | 0.371 | 47% | 0.471 | S | S | . | . | trans | -112.8 | 156.8 | 177.1 | 69 | 0 | 0 | 0 | 0 | 110.5 | N370 K371 C372 | S368-N370 PolarHBondContact O-N 2.79Å; S368-N370 VanDerWaalsContact O-N 3.16Å; S368-K371 PolarHBondContact O-N 2.84Å; S368-K371 WeakPolarHBondContact OG-CB 3.06Å; S368-K371 PolarHBondContact OG-N 3.13Å; S368-C372 PolarHBondContact O-N 3.01Å | ||
| 369 | P | 76.3 | Confident | 75 | Confident | 77 Ų | 77 | 88.4 Ų | 88.4 | 50% | 0.5 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -48.6 | -43.7 | 175.6 | -28.1 | 33.8 | 0 | 0 | 0 | 113 | C372 F373 F379 | P369-C372 PolarHBondContact O-N 3.2Å; P369-F373 VanDerWaalsContact O-CB 3.3Å; P369-F373 WeakPolarHBondContact O-CB 3.42Å; P369-F373 PolarHBondContact O-N 2.76Å; P369-F379 HydrophobicContact CB-CB 4.34Å; P369-F379 HydrophobicContact CB-CD1 4.45Å; P369-F379 HydrophobicContact CG-CD1 3.75Å; P369-F379 HydrophobicContact CG-CE1 4.21Å; P369-F379 HydrophobicContact CG-CG 4.24Å |
| 370 | N | 73.3 | Confident | 75.5 | Confident | 119 Ų | 119 | 86.5 Ų | 86.5 | 64% | 0.636 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -67.5 | -39.9 | 179.5 | -63.7 | -14.8 | 0 | 0 | 0 | 111.9 | S368 F373 L374 | S368-N370 PolarHBondContact O-N 2.79Å; S368-N370 VanDerWaalsContact O-N 3.16Å; N370-F373 PolarHBondContact O-N 2.94Å; N370-L374 WeakPolarHBondContact O-CB 3.3Å; N370-L374 VanDerWaalsContact O-CG 3.26Å; N370-L374 WeakPolarHBondContact O-CG 3.16Å; N370-L374 PolarHBondContact O-N 2.83Å |
| 371 | K | 76.6 | Confident | 75.4 | Confident | 112 Ų | 112 | 87.7 Ų | 87.7 | 49% | 0.487 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -69.1 | -33.8 | 179.5 | -159.5 | 175.5 | -175.7 | -177.8 | 0 | 112 | S368 R375 | S368-K371 PolarHBondContact O-N 2.84Å; S368-K371 WeakPolarHBondContact OG-CB 3.06Å; S368-K371 PolarHBondContact OG-N 3.13Å; K371-R375 WeakPolarHBondContact O-CG 3.01Å; K371-R375 PolarHBondContact O-N 3.24Å |
| 372 | C | 74.9 | Confident | 74.9 | Confident | 0 Ų | 0 | 91.6 Ų | 91.6 | 0% | 0 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -71.1 | -42.6 | 171.1 | -66 | 0 | 0 | 0 | 0 | 112.3 | S368 P369 L374 R375 G376 R377 F379 C386 | S368-C372 PolarHBondContact O-N 3.01Å; P369-C372 PolarHBondContact O-N 3.2Å; C372-L374 PolarHBondContact O-N 2.88Å; C372-R375 CarbonylContact O-C 3.6Å; C372-R375 WeakPolarHBondContact O-CA 3.46Å; C372-R375 PolarHBondContact O-N 2.02Å; C372-G376 PolarHBondContact O-N 3.42Å; C372-R377 CarbonylContact C-O 3.44Å; C372-R377 WeakPolarHBondContact CB-O 3.48Å; C372-R377 PolarHBondContact O-N 2.8Å; C372-F379 HydrophobicContact CB-CB 3.93Å; C372-F379 VanDerWaalsContact SG-CD2 3.59Å; C372-C386 WeakPolarHBondContact CA-SG 3.39Å; C372-C386 HydrophobicContact CB-CB 3.79Å; C372-C386 WeakPolarHBondContact CB-SG 3.47Å; C372-C386 WeakPolarHBondContact SG-CA 3.3Å; C372-C386 WeakPolarHBondContact SG-CB 3.4Å; C372-C386 CovalentContact SG-SG 2.02Å; C372-C386 PolarHBondContact SG-SG 2.97Å |
| 373 | F | 70.4 | Confident | 74.6 | Confident | 161 Ų | 161 | 92.7 Ų | 92.7 | 71% | 0.706 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.4 | -45.6 | 178.5 | -179.6 | -100.5 | 0 | 0 | 0 | 111.7 | P369 N370 R375 G376 R377 | P369-F373 VanDerWaalsContact O-CB 3.3Å; P369-F373 WeakPolarHBondContact O-CB 3.42Å; P369-F373 PolarHBondContact O-N 2.76Å; N370-F373 PolarHBondContact O-N 2.94Å; F373-R375 PolarHBondContact O-N 3.01Å; F373-R375 VanDerWaalsContact O-N 3.14Å; F373-G376 PolarHBondContact O-N 2.92Å; F373-R377 PolarHBondContact N-O 3.44Å |
| 374 | L | 71.8 | Confident | 74.4 | Confident | 148 Ų | 148 | 92.5 Ų | 92.5 | 78% | 0.775 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -60.5 | -22.7 | 173.9 | -70.4 | 171.6 | 0 | 0 | 0 | 113.1 | N370 C372 | N370-L374 WeakPolarHBondContact O-CB 3.3Å; N370-L374 VanDerWaalsContact O-CG 3.26Å; N370-L374 WeakPolarHBondContact O-CG 3.16Å; N370-L374 PolarHBondContact O-N 2.83Å; C372-L374 PolarHBondContact O-N 2.88Å |
| 375 | R | 70.8 | Confident | 74.3 | Confident | 179 Ų | 179 | 90.6 Ų | 90.6 | 68% | 0.675 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 10 | 174.7 | -69.1 | -169.3 | 174.8 | -151.6 | -2.4 | 113.5 | K371 C372 F373 R377 | K371-R375 WeakPolarHBondContact O-CG 3.01Å; K371-R375 PolarHBondContact O-N 3.24Å; C372-R375 CarbonylContact O-C 3.6Å; C372-R375 WeakPolarHBondContact O-CA 3.46Å; C372-R375 PolarHBondContact O-N 2.02Å; F373-R375 PolarHBondContact O-N 3.01Å; F373-R375 VanDerWaalsContact O-N 3.14Å; R375-R377 VanDerWaalsContact C-N 3.26Å; R375-R377 PolarHBondContact O-N 2.91Å |
| 376 | G | 63.9 | Low | 74.3 | Confident | 62 Ų | 62 | 89.1 Ų | 89.1 | 64% | 0.639 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | 23.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | C372 F373 | C372-G376 PolarHBondContact O-N 3.42Å; F373-G376 PolarHBondContact O-N 2.92Å |
| 377 | R | 75.4 | Confident | 74.1 | Confident | 105 Ų | 105 | 88.2 Ų | 88.2 | 40% | 0.396 | 45% | 0.451 | S | S | . | . | trans | -122.1 | 153 | -178.5 | -65.3 | -176.1 | -171.9 | -160.5 | 2.3 | 110.1 | C372 F373 R375 C386 L387 | C372-R377 CarbonylContact C-O 3.44Å; C372-R377 WeakPolarHBondContact CB-O 3.48Å; C372-R377 PolarHBondContact O-N 2.8Å; F373-R377 PolarHBondContact N-O 3.44Å; R375-R377 VanDerWaalsContact C-N 3.26Å; R375-R377 PolarHBondContact O-N 2.91Å; R377-C386 HydrophobicContact CB-CB 3.72Å; R377-C386 WeakPolarHBondContact CD-O 3.16Å; R377-C386 HydrophobicContact CG-CB 4.39Å; R377-L387 WeakPolarHBondContact CB-O 3.26Å | ||
| 378 | R | 73.8 | Confident | 73.5 | Confident | 201 Ų | 201 | 92.2 Ų | 92.2 | 76% | 0.758 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 130.2 | 175.7 | -160.8 | 174.8 | -170 | -161.1 | 2.1 | 109.4 | H380 L387 | R378-H380 PolarHBondContact O-N 3.29Å; R378-L387 PolarHBondContact N-O 3.47Å; R378-L387 PolarHBondContact O-N 3.14Å |
| 379 | F | 78.4 | Confident | 72.7 | Confident | 43 Ų | 43 | 93.2 Ų | 93.2 | 19% | 0.189 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 124.8 | 174.3 | 179.3 | -108.2 | 0 | 0 | 0 | 110.1 | C365 E367 P369 C372 Q381 C384 | C365-F379 HydrophobicContact CB-CZ 4.4Å; E367-F379 HydrophobicContact CB-CD2 4.43Å; E367-F379 HydrophobicContact CB-CE2 4.2Å; E367-F379 WeakPolarHBondContact O-CE2 3.1Å; P369-F379 HydrophobicContact CB-CB 4.34Å; P369-F379 HydrophobicContact CB-CD1 4.45Å; P369-F379 HydrophobicContact CG-CD1 3.75Å; P369-F379 HydrophobicContact CG-CE1 4.21Å; P369-F379 HydrophobicContact CG-CG 4.24Å; C372-F379 HydrophobicContact CB-CB 3.93Å; C372-F379 VanDerWaalsContact SG-CD2 3.59Å; F379-Q381 HydrophobicContact CE1-CB 4.44Å; F379-C384 HydrophobicContact CE2-CB 4.28Å; F379-C384 HydrophobicContact CZ-CB 4.24Å |
| 380 | H | 77.8 | Confident | 71.8 | Confident | 82 Ų | 82 | 95.4 Ų | 95.4 | 38% | 0.38 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 111.7 | 175.4 | -170.5 | -98.7 | 0 | 0 | 0 | 109.8 | R378 A382 T383 C384 S385 L387 | R378-H380 PolarHBondContact O-N 3.29Å; H380-A382 VanDerWaalsContact C-N 3.32Å; H380-A382 PolarHBondContact O-N 3.16Å; H380-T383 PolarHBondContact ND1-N 3.43Å; H380-T383 PolarHBondContact ND1-OG1 2.81Å; H380-T383 PolarHBondContact O-N 2.99Å; H380-C384 WeakPolarHBondContact O-CA 3.44Å; H380-C384 PolarHBondContact O-N 2.85Å; H380-S385 PolarHBondContact N-O 2.98Å; H380-L387 HydrophobicContact CB-CD1 3.58Å; H380-L387 HydrophobicContact CB-CG 4.01Å |
| 381 | Q | 70.7 | Confident | 71.3 | Confident | 168 Ų | 168 | 91 Ų | 91 | 79% | 0.785 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -31 | -169.3 | -165.6 | 170.9 | 13.2 | 0 | 0 | 113.6 | F379 | F379-Q381 HydrophobicContact CE1-CB 4.44Š|
| 382 | A | 69.4 | Low | 70.5 | Confident | 87 Ų | 87 | 95 Ų | 95 | 72% | 0.719 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -23.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | H380 | H380-A382 VanDerWaalsContact C-N 3.32Å; H380-A382 PolarHBondContact O-N 3.16Å |
| 383 | T | 72.9 | Confident | 69.5 | Low | 46 Ų | 46 | 99.6 Ų | 99.6 | 28% | 0.282 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | 0.1 | -178.5 | 56.8 | 0 | 0 | 0 | 0 | 112.7 | H353 H380 S385 | H353-T383 WeakPolarHBondContact CB-O 3.48Å; H380-T383 PolarHBondContact ND1-N 3.43Å; H380-T383 PolarHBondContact ND1-OG1 2.81Å; H380-T383 PolarHBondContact O-N 2.99Å; T383-S385 PolarHBondContact O-N 3.16Å; T383-S385 VanDerWaalsContact O-N 3.13Å; T383-S385 PolarHBondContact OG1-OG 3.25Å |
| 384 | C | 77.8 | Confident | 68.8 | Low | 16 Ų | 16 | 102 Ų | 102 | 11% | 0.108 | 51% | 0.514 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 41.6 | -178.2 | -77.1 | 0 | 0 | 0 | 0 | 114.1 | C365 F379 H380 | C365-C384 HydrophobicContact CB-CB 3.47Å; C365-C384 VanDerWaalsContact CB-CB 3.47Å; C365-C384 WeakPolarHBondContact CB-SG 3.44Å; C365-C384 WeakPolarHBondContact SG-CB 3.31Å; C365-C384 CovalentContact SG-SG 2Å; C365-C384 PolarHBondContact SG-SG 2.89Å; F379-C384 HydrophobicContact CE2-CB 4.28Å; F379-C384 HydrophobicContact CZ-CB 4.24Å; H380-C384 WeakPolarHBondContact O-CA 3.44Å; H380-C384 PolarHBondContact O-N 2.85Å |
| 385 | S | 77.5 | Confident | 68 | Low | 34 Ų | 34 | 106.1 Ų | 106.1 | 24% | 0.238 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 143.1 | -175.6 | 62.8 | 0 | 0 | 0 | 0 | 111.5 | E367 H380 T383 L387 | E367-S385 WeakPolarHBondContact OE2-CA 3.44Å; H380-S385 PolarHBondContact N-O 2.98Å; T383-S385 PolarHBondContact O-N 3.16Å; T383-S385 VanDerWaalsContact O-N 3.13Å; T383-S385 PolarHBondContact OG1-OG 3.25Å; S385-L387 PolarHBondContact O-N 2.99Å |
| 386 | C | 77.7 | Confident | 67.5 | Low | 13 Ų | 13 | 107.1 Ų | 107.1 | 9% | 0.088 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 101.6 | 169.7 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | E367 C372 R377 | E367-C386 PolarHBondContact OE2-N 3.44Å; E367-C386 PolarHBondContact OE2-SG 3.36Å; C372-C386 WeakPolarHBondContact CA-SG 3.39Å; C372-C386 HydrophobicContact CB-CB 3.79Å; C372-C386 WeakPolarHBondContact CB-SG 3.47Å; C372-C386 WeakPolarHBondContact SG-CA 3.3Å; C372-C386 WeakPolarHBondContact SG-CB 3.4Å; C372-C386 CovalentContact SG-SG 2.02Å; C372-C386 PolarHBondContact SG-SG 2.97Å; R377-C386 HydrophobicContact CB-CB 3.72Å; R377-C386 WeakPolarHBondContact CD-O 3.16Å; R377-C386 HydrophobicContact CG-CB 4.39Å |
| 387 | L | 71.1 | Confident | 67.7 | Low | 89 Ų | 89 | 114.1 Ų | 114.1 | 47% | 0.466 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 138.5 | 174.2 | -64.3 | 175.3 | 0 | 0 | 0 | 110.6 | R377 R378 H380 S385 | R377-L387 WeakPolarHBondContact CB-O 3.26Å; R378-L387 PolarHBondContact N-O 3.47Å; R378-L387 PolarHBondContact O-N 3.14Å; H380-L387 HydrophobicContact CB-CD1 3.58Å; H380-L387 HydrophobicContact CB-CG 4.01Å; S385-L387 PolarHBondContact O-N 2.99Å |
| 388 | R | 65.4 | Low | 67.5 | Low | 141 Ų | 141 | 110.6 Ų | 110.6 | 53% | 0.532 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 125.2 | 171.1 | -166 | -177.4 | -77.4 | 131.7 | -12 | 107.3 | ||
| 389 | P | 60.6 | Low | 67.6 | Low | 74 Ų | 74 | 108.5 Ų | 108.5 | 48% | 0.481 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 139.9 | 177 | 22.6 | -29.9 | 0 | 0 | 0 | 109.9 | C391 | P389-C391 PolarHBondContact O-N 3.49Š|
| 390 | P | 58.5 | Low | 67.3 | Low | 123 Ų | 123 | 111.5 Ų | 111.5 | 80% | 0.799 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 133.9 | 173.2 | 24.2 | -30.9 | 0 | 0 | 0 | 109.1 | E392 | P390-E392 PolarHBondContact O-N 2.92Š|
| 391 | C | 61 | Low | 67.2 | Low | 26 Ų | 26 | 109.9 Ų | 109.9 | 18% | 0.176 | 56% | 0.564 | C | S | . | * | P | Polyproline II helix | trans | -55.2 | 128.2 | 175.9 | -54.1 | 0 | 0 | 0 | 0 | 108.7 | P389 V393 F404 C409 | P389-C391 PolarHBondContact O-N 3.49Å; C391-V393 VanDerWaalsContact C-N 3.28Å; C391-V393 WeakPolarHBondContact O-CG2 3.49Å; C391-V393 PolarHBondContact O-N 3.32Å; C391-F404 HydrophobicContact CB-CE1 4.28Å; C391-F404 HydrophobicContact CB-CZ 4.05Å; C391-C409 VanDerWaalsContact CA-SG 3.58Å; C391-C409 HydrophobicContact CB-CB 3.73Å; C391-C409 WeakPolarHBondContact CB-SG 3.42Å; C391-C409 WeakPolarHBondContact SG-CA 3.09Å; C391-C409 WeakPolarHBondContact SG-CB 3.06Å; C391-C409 CovalentContact SG-SG 2.03Å; C391-C409 PolarHBondContact SG-SG 3.18Å |
| 392 | E | 60.8 | Low | 67.6 | Low | 196 Ų | 196 | 106.2 Ų | 106.2 | 92% | 0.916 | 55% | 0.546 | S | S | * | . | trans | -66.1 | 91.7 | 171.9 | -99 | 177.8 | 163.8 | 0 | 0 | 108.7 | P390 R394 | P390-E392 PolarHBondContact O-N 2.92Å; E392-R394 VanDerWaalsContact C-N 3.29Å; E392-R394 PolarHBondContact O-N 2.91Å | ||
| 393 | V | 54.8 | Low | 67.9 | Low | 97 Ų | 97 | 104.3 Ų | 104.3 | 59% | 0.588 | 52% | 0.521 | S | S | * | . | trans | -75.2 | 80.5 | -175.3 | -134.8 | 0 | 0 | 0 | 0 | 109.7 | C391 R395 | C391-V393 VanDerWaalsContact C-N 3.28Å; C391-V393 WeakPolarHBondContact O-CG2 3.49Å; C391-V393 PolarHBondContact O-N 3.32Å; V393-R395 HydrophobicContact CB-CG 4.42Å; V393-R395 HydrophobicContact CG1-CG 3.79Å; V393-R395 PolarHBondContact O-N 3.21Å; V393-R395 VanDerWaalsContact O-N 3.16Å | ||
| 394 | R | 53.8 | Low | 68 | Low | 213 Ų | 213 | 105.9 Ų | 105.9 | 80% | 0.804 | 52% | 0.524 | S | S | * | . | trans | -71.7 | 96.5 | 141.4 | -88 | -175.4 | 166.3 | 176.8 | -4.1 | 105 | E392 R396 | E392-R394 VanDerWaalsContact C-N 3.29Å; E392-R394 PolarHBondContact O-N 2.91Å; R394-R396 PolarHBondContact O-N 3.21Å | ||
| 395 | R | 56.1 | Low | 67.6 | Low | 233 Ų | 233 | 105.7 Ų | 105.7 | 88% | 0.879 | 52% | 0.523 | S | S | * | . | trans | -57.8 | 74.4 | 174.9 | -72 | -175.7 | 178.5 | -175.7 | -0.3 | 110.3 | V393 K397 | V393-R395 HydrophobicContact CB-CG 4.42Å; V393-R395 HydrophobicContact CG1-CG 3.79Å; V393-R395 PolarHBondContact O-N 3.21Å; V393-R395 VanDerWaalsContact O-N 3.16Å; R395-K397 PolarHBondContact O-N 2.03Å | ||
| 396 | R | 59.6 | Low | 67 | Low | 201 Ų | 201 | 111.5 Ų | 111.5 | 76% | 0.758 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -75.5 | 117.6 | 162.9 | -69.5 | -173 | 176 | -171.2 | -0.8 | 105.2 | R394 C398 | R394-R396 PolarHBondContact O-N 3.21Å; R396-C398 PolarHBondContact O-N 3.26Å; R396-C398 VanDerWaalsContact O-N 3.15Å |
| 397 | K | 68.4 | Low | 66.3 | Low | 208 Ų | 208 | 117 Ų | 117 | 90% | 0.904 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 121.6 | 169.6 | -85.6 | 178.5 | 174.5 | 177.5 | 0 | 107 | R395 | R395-K397 PolarHBondContact O-N 2.03Š|
| 398 | C | 71.7 | Confident | 66 | Low | 32 Ų | 32 | 116.4 Ų | 116.4 | 22% | 0.216 | 57% | 0.571 | C | S | . | * | P | Polyproline II helix | trans | -62.1 | 144.1 | 171.8 | -61 | 0 | 0 | 0 | 0 | 109 | R396 F402 F404 C411 | R396-C398 PolarHBondContact O-N 3.26Å; R396-C398 VanDerWaalsContact O-N 3.15Å; C398-F402 HydrophobicContact CB-CB 4.02Å; C398-F402 VanDerWaalsContact CB-O 3.31Å; C398-F402 WeakPolarHBondContact CB-O 3.46Å; C398-F404 PolarHBondContact SG-N 2.03Å; C398-C411 WeakPolarHBondContact CA-SG 3.45Å; C398-C411 HydrophobicContact CB-CB 3.67Å; C398-C411 WeakPolarHBondContact CB-SG 3.02Å; C398-C411 VanDerWaalsContact SG-CA 3.59Å; C398-C411 WeakPolarHBondContact SG-CB 3.4Å; C398-C411 CovalentContact SG-SG 2.03Å; C398-C411 PolarHBondContact SG-SG 2.65Å |
| 399 | E | 75 | Confident | 66.2 | Low | 156 Ų | 156 | 112.5 Ų | 112.5 | 73% | 0.729 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 156 | 175.8 | -70.6 | 176.1 | 175.1 | 0 | 0 | 111.2 | G401 F402 | E399-G401 PolarHBondContact O-N 3.15Å; E399-F402 PolarHBondContact O-N 3.47Å |
| 400 | A | 73.1 | Confident | 66.6 | Low | 107 Ų | 107 | 116.1 Ų | 116.1 | 88% | 0.884 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | 125.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 401 | G | 76.1 | Confident | 67.4 | Low | 48 Ų | 48 | 112.7 Ų | 112.7 | 50% | 0.495 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.8 | -2.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115 | E399 S414 | E399-G401 PolarHBondContact O-N 3.15Å; G401-S414 WeakPolarHBondContact O-CB 3.35Å; G401-S414 PolarHBondContact O-N 2.82Å; G401-S414 PolarHBondContact O-OG 3.49Å |
| 402 | F | 78 | Confident | 68.2 | Low | 90 Ų | 90 | 112 Ų | 112 | 40% | 0.395 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 143.3 | 172.9 | -66.1 | -105.3 | 0 | 0 | 0 | 111.7 | C398 E399 C411 V412 P413 S414 | C398-F402 HydrophobicContact CB-CB 4.02Å; C398-F402 VanDerWaalsContact CB-O 3.31Å; C398-F402 WeakPolarHBondContact CB-O 3.46Å; E399-F402 PolarHBondContact O-N 3.47Å; F402-C411 HydrophobicContact CB-CB 4.14Å; F402-V412 CarbonylContact C-O 3.53Å; F402-V412 WeakPolarHBondContact CA-O 3.21Å; F402-V412 WeakPolarHBondContact CB-O 3.42Å; F402-P413 HydrophobicContact CD1-CB 4.41Å; F402-P413 HydrophobicContact CD1-CG 4.06Å; F402-P413 HydrophobicContact CE1-CB 4.24Å; F402-P413 HydrophobicContact CE1-CG 3.61Å; F402-P413 HydrophobicContact CZ-CG 4.32Å; F402-S414 PolarHBondContact N-OG 2.69Å |
| 403 | F | 76.4 | Confident | 69.1 | Low | 47 Ų | 47 | 104.3 Ų | 104.3 | 21% | 0.206 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 149.5 | 171.3 | 77.4 | -76.3 | 0 | 0 | 0 | 110.4 | S405 C411 V412 P413 R417 | F403-S405 PolarHBondContact O-N 3Å; F403-C411 CarbonylContact O-C 3.51Å; F403-C411 WeakPolarHBondContact O-CA 3.48Å; F403-V412 HydrophobicContact CD1-CG2 3.93Å; F403-V412 WeakPolarHBondContact CD1-O 3.45Å; F403-V412 HydrophobicContact CE1-CG2 3.56Å; F403-V412 HydrophobicContact CE2-CG2 4.18Å; F403-V412 HydrophobicContact CG-CG2 4.44Å; F403-V412 HydrophobicContact CZ-CG2 3.7Å; F403-V412 PolarHBondContact N-O 2.81Å; F403-V412 WeakPolarHBondContact O-CG2 3.2Å; F403-V412 PolarHBondContact O-N 3.49Å; F403-P413 WeakPolarHBondContact CE1-O 3.37Å; F403-R417 HydrophobicContact CE1-CB 3.93Å; F403-R417 HydrophobicContact CZ-CB 4.02Å; F403-R417 HydrophobicContact CZ-CG 4.44Å |
| 404 | F | 74.8 | Confident | 70.1 | Confident | 80 Ų | 80 | 101.9 Ų | 101.9 | 35% | 0.351 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 118.7 | 175.7 | -171.2 | -96.4 | 0 | 0 | 0 | 109.3 | C391 C398 E406 C409 | C391-F404 HydrophobicContact CB-CE1 4.28Å; C391-F404 HydrophobicContact CB-CZ 4.05Å; C398-F404 PolarHBondContact SG-N 2.03Å; F404-E406 HydrophobicContact CD1-CG 4.49Å; F404-C409 HydrophobicContact CZ-CB 4.36Å |
| 405 | S | 68.6 | Low | 71.2 | Confident | 11 Ų | 11 | 99 Ų | 99 | 8% | 0.077 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 119 | 173.9 | 173.6 | 0 | 0 | 0 | 0 | 110.1 | F403 E407 V408 C409 R410 | F403-S405 PolarHBondContact O-N 3Å; S405-E407 PolarHBondContact O-N 2.89Å; S405-E407 WeakPolarHBondContact OG-CB 3.31Å; S405-E407 PolarHBondContact OG-N 3.32Å; S405-V408 PolarHBondContact O-N 3.39Å; S405-C409 WeakPolarHBondContact O-CA 3.02Å; S405-C409 PolarHBondContact O-N 3.36Å; S405-R410 PolarHBondContact N-O 3.18Å |
| 406 | E | 66.6 | Low | 72 | Confident | 157 Ų | 157 | 96.2 Ų | 96.2 | 73% | 0.734 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -14.5 | 172.5 | -62 | -171.1 | 170.8 | 0 | 0 | 112.5 | F404 | F404-E406 HydrophobicContact CD1-CG 4.49Š|
| 407 | E | 61.7 | Low | 72.3 | Confident | 129 Ų | 129 | 93.8 Ų | 93.8 | 60% | 0.603 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -31.3 | 176.9 | -55.4 | -171.1 | 151.4 | 0 | 0 | 112.7 | S405 R418 | S405-E407 PolarHBondContact O-N 2.89Å; S405-E407 WeakPolarHBondContact OG-CB 3.31Å; S405-E407 PolarHBondContact OG-N 3.32Å; E407-R418 IonicContact OE2-NH2 3.95Å |
| 408 | V | 65 | Low | 71.9 | Confident | 75 Ų | 75 | 93.1 Ų | 93.1 | 46% | 0.455 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | 2.8 | -173.7 | -135.3 | 0 | 0 | 0 | 0 | 113 | S405 R410 | S405-V408 PolarHBondContact O-N 3.39Å; V408-R410 HydrophobicContact CB-CG 4.18Å; V408-R410 PolarHBondContact O-N 3.39Å |
| 409 | C | 70 | Confident | 71 | Confident | 59 Ų | 59 | 99.6 Ų | 99.6 | 40% | 0.399 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 36.7 | -178.6 | -61.9 | 0 | 0 | 0 | 0 | 114.9 | C391 F404 S405 | C391-C409 VanDerWaalsContact CA-SG 3.58Å; C391-C409 HydrophobicContact CB-CB 3.73Å; C391-C409 WeakPolarHBondContact CB-SG 3.42Å; C391-C409 WeakPolarHBondContact SG-CA 3.09Å; C391-C409 WeakPolarHBondContact SG-CB 3.06Å; C391-C409 CovalentContact SG-SG 2.03Å; C391-C409 PolarHBondContact SG-SG 3.18Å; F404-C409 HydrophobicContact CZ-CB 4.36Å; S405-C409 WeakPolarHBondContact O-CA 3.02Å; S405-C409 PolarHBondContact O-N 3.36Å |
| 410 | R | 67.8 | Low | 69.6 | Low | 151 Ų | 151 | 103.1 Ų | 103.1 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 161.5 | 179 | 66.1 | -174 | 176.8 | 167.4 | -0.6 | 111.9 | S405 V408 V412 | S405-R410 PolarHBondContact N-O 3.18Å; V408-R410 HydrophobicContact CB-CG 4.18Å; V408-R410 PolarHBondContact O-N 3.39Å; R410-V412 HydrophobicContact CG-CG1 4.02Å; R410-V412 PolarHBondContact O-N 3.08Å |
| 411 | C | 77 | Confident | 69.4 | Low | 51 Ų | 51 | 103 Ų | 103 | 35% | 0.345 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 120.9 | 170.6 | -61.3 | 0 | 0 | 0 | 0 | 109.7 | C398 F402 F403 | C398-C411 WeakPolarHBondContact CA-SG 3.45Å; C398-C411 HydrophobicContact CB-CB 3.67Å; C398-C411 WeakPolarHBondContact CB-SG 3.02Å; C398-C411 VanDerWaalsContact SG-CA 3.59Å; C398-C411 WeakPolarHBondContact SG-CB 3.4Å; C398-C411 CovalentContact SG-SG 2.03Å; C398-C411 PolarHBondContact SG-SG 2.65Å; F402-C411 HydrophobicContact CB-CB 4.14Å; F403-C411 CarbonylContact O-C 3.51Å; F403-C411 WeakPolarHBondContact O-CA 3.48Å |
| 412 | V | 76.4 | Confident | 69.1 | Low | 12 Ų | 12 | 105.8 Ų | 105.8 | 7% | 0.073 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 152.7 | 178.1 | -67.7 | 0 | 0 | 0 | 0 | 110 | F402 F403 R410 | F402-V412 CarbonylContact C-O 3.53Å; F402-V412 WeakPolarHBondContact CA-O 3.21Å; F402-V412 WeakPolarHBondContact CB-O 3.42Å; F403-V412 HydrophobicContact CD1-CG2 3.93Å; F403-V412 WeakPolarHBondContact CD1-O 3.45Å; F403-V412 HydrophobicContact CE1-CG2 3.56Å; F403-V412 HydrophobicContact CE2-CG2 4.18Å; F403-V412 HydrophobicContact CG-CG2 4.44Å; F403-V412 HydrophobicContact CZ-CG2 3.7Å; F403-V412 PolarHBondContact N-O 2.81Å; F403-V412 WeakPolarHBondContact O-CG2 3.2Å; F403-V412 PolarHBondContact O-N 3.49Å; R410-V412 HydrophobicContact CG-CG1 4.02Å; R410-V412 PolarHBondContact O-N 3.08Å |
| 413 | P | 79.9 | Confident | 68.6 | Low | 33 Ų | 33 | 106.7 Ų | 106.7 | 21% | 0.214 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 140.8 | -178.2 | -23.6 | 31.9 | 0 | 0 | 0 | 112.8 | F402 F403 H415 W416 | F402-P413 HydrophobicContact CD1-CB 4.41Å; F402-P413 HydrophobicContact CD1-CG 4.06Å; F402-P413 HydrophobicContact CE1-CB 4.24Å; F402-P413 HydrophobicContact CE1-CG 3.61Å; F402-P413 HydrophobicContact CZ-CG 4.32Å; F403-P413 WeakPolarHBondContact CE1-O 3.37Å; P413-H415 WeakPolarHBondContact CB-CE1 3.46Å; P413-H415 WeakPolarHBondContact CB-ND1 3.4Å; P413-H415 PolarHBondContact O-N 2.79Å; P413-H415 VanDerWaalsContact O-N 3.16Å; P413-W416 WeakPolarHBondContact O-CB 3.2Å; P413-W416 PolarHBondContact O-N 3.24Å |
| 414 | S | 76.8 | Confident | 68.1 | Low | 47 Ų | 47 | 110.2 Ų | 110.2 | 33% | 0.329 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -60.8 | -27.4 | -175.7 | -54.8 | 0 | 0 | 0 | 0 | 114.1 | G401 F402 W416 R417 | G401-S414 WeakPolarHBondContact O-CB 3.35Å; G401-S414 PolarHBondContact O-N 2.82Å; G401-S414 PolarHBondContact O-OG 3.49Å; F402-S414 PolarHBondContact N-OG 2.69Å; S414-W416 PolarHBondContact O-N 3.37Å; S414-R417 WeakPolarHBondContact O-CB 3.39Å; S414-R417 PolarHBondContact O-N 2.99Å |
| 415 | H | 76.1 | Confident | 67.7 | Low | 153 Ų | 153 | 112.1 Ų | 112.1 | 71% | 0.708 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -75.5 | -8.4 | 177.3 | 65.7 | -86.1 | 0 | 0 | 0 | 113.7 | P413 R417 | P413-H415 WeakPolarHBondContact CB-CE1 3.46Å; P413-H415 WeakPolarHBondContact CB-ND1 3.4Å; P413-H415 PolarHBondContact O-N 2.79Å; P413-H415 VanDerWaalsContact O-N 3.16Å; H415-R417 VanDerWaalsContact C-N 3.26Å |
| 416 | W | 72.4 | Confident | 67.6 | Low | 173 Ų | 173 | 118.9 Ų | 118.9 | 66% | 0.655 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -86 | -0.8 | 171.3 | -75.1 | 36.8 | 0 | 0 | 0 | 112.4 | P413 S414 R418 | P413-W416 WeakPolarHBondContact O-CB 3.2Å; P413-W416 PolarHBondContact O-N 3.24Å; S414-W416 PolarHBondContact O-N 3.37Å; W416-R418 PolarHBondContact O-N 3.16Å; W416-R418 VanDerWaalsContact O-N 3.08Å |
| 417 | R | 67.4 | Low | 67.7 | Low | 151 Ų | 151 | 116.1 Ų | 116.1 | 57% | 0.57 | 55% | 0.554 | S | S | * | * | trans | -65.9 | 109.1 | 171.8 | -170.9 | -177.7 | -65.7 | -167 | 0.3 | 107.4 | F403 S414 H415 L419 | F403-R417 HydrophobicContact CE1-CB 3.93Å; F403-R417 HydrophobicContact CZ-CB 4.02Å; F403-R417 HydrophobicContact CZ-CG 4.44Å; S414-R417 WeakPolarHBondContact O-CB 3.39Å; S414-R417 PolarHBondContact O-N 2.99Å; H415-R417 VanDerWaalsContact C-N 3.26Å; R417-L419 PolarHBondContact O-N 3.22Å | ||
| 418 | R | 59.2 | Low | 68.2 | Low | 194 Ų | 194 | 115.2 Ų | 115.2 | 73% | 0.732 | 55% | 0.551 | S | S | * | * | trans | -59 | 121.3 | 167.2 | -79.6 | -175.3 | -101 | -176.6 | -0.4 | 107 | E407 W416 D420 | E407-R418 IonicContact OE2-NH2 3.95Å; W416-R418 PolarHBondContact O-N 3.16Å; W416-R418 VanDerWaalsContact O-N 3.08Å; R418-D420 PolarHBondContact O-N 2.95Å | ||
| 419 | L | 52.7 | Low | 68.5 | Low | 168 Ų | 168 | 118.5 Ų | 118.5 | 88% | 0.88 | 56% | 0.559 | S | S | * | * | trans | -72.5 | 112.8 | 164.3 | -71.2 | 157.7 | 0 | 0 | 0 | 104.5 | R417 | R417-L419 PolarHBondContact O-N 3.22Š| ||
| 420 | D | 45.7 | Very low | 68.3 | Low | 230 Ų | 230 | 123.9 Ų | 123.9 | 100% | 1.23 | 57% | 0.573 | S | S | * | * | trans | -66.5 | 0 | 170.9 | -73.3 | -33.4 | 0 | 0 | 0 | 110.7 | R418 | R418-D420 PolarHBondContact O-N 2.95Š|
Retrieved 420 of 420 residues in 151.1 ms
(Link to these results)