| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 27.9 | Very low | 29 | Very low | 230 Ų | 230 | 157.8 Ų | 157.8 | 100% | 1.133 | 81% | 0.806 | S | S | * | * | 0 | 37.7 | 0 | -68.7 | -97.1 | -160.3 | 0 | 0 | 109.9 | |||||
| 2 | D | 32 | Very low | 28.5 | Very low | 140 Ų | 140 | 154.3 Ų | 154.3 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | 61.1 | 108.1 | 104.5 | -64.9 | 29.5 | 0 | 0 | 0 | 119.9 | |||||
| 3 | Y | 32.8 | Very low | 28.5 | Very low | 194 Ų | 194 | 152.5 Ų | 152.5 | 76% | 0.761 | 81% | 0.81 | S | S | * | * | trans | 78 | 92.2 | 150.7 | -72.8 | -79.5 | 0 | 0 | 0 | 120.2 | ||||
| 4 | Y | 34.4 | Very low | 28.1 | Very low | 217 Ų | 217 | 147.5 Ų | 147.5 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | 179.7 | 120.2 | 85.6 | -106.3 | -85 | 0 | 0 | 0 | 110.2 | |||||
| 5 | Q | 26 | Very low | 27.9 | Very low | 179 Ų | 179 | 151.5 Ų | 151.5 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | -79.6 | 150.1 | 165.1 | -76.3 | 173.2 | -41.5 | 0 | 0 | 109.8 | ||||
| 6 | I | 30 | Very low | 27.7 | Very low | 157 Ų | 157 | 149 Ų | 149 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | -177.7 | 120 | 114.5 | -82.5 | 149.1 | 0 | 0 | 0 | 108.7 | |||||
| 7 | S | 28.1 | Very low | 27.4 | Very low | 113 Ų | 113 | 145.6 Ų | 145.6 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -109.4 | 146.8 | 153.7 | 49.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 8 | P | 30.7 | Very low | 27.5 | Very low | 96 Ų | 96 | 144.7 Ų | 144.7 | 62% | 0.623 | 80% | 0.799 | S | S | * | * | trans | -144.3 | 136.1 | 136.7 | 30.8 | -12.5 | 0 | 0 | 0 | 111.4 | ||||
| 9 | N | 23.3 | Very low | 27.3 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | 39.6 | 90.4 | 67.8 | -87.5 | -0.8 | 0 | 0 | 0 | 115.3 | |||||
| 10 | I | 29.1 | Very low | 27.1 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | trans | -144.2 | 100.6 | 159.9 | -58.7 | 179.1 | 0 | 0 | 0 | 105 | ||||
| 11 | S | 24.7 | Very low | 27.1 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | 48.5 | 94.6 | 67.4 | 76.5 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 12 | S | 23 | Very low | 27 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -31.1 | 134 | 158 | 46 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 13 | P | 28.6 | Very low | 27 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | -96.7 | 116.7 | 159 | 32.7 | -22.3 | 0 | 0 | 0 | 109.6 | ||||
| 14 | A | 23.5 | Very low | 27.2 | Very low | 82 Ų | 82 | 131.8 Ų | 131.8 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | trans | -91.4 | 148.8 | 154.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 15 | F | 24.1 | Very low | 27.2 | Very low | 207 Ų | 207 | 129.3 Ų | 129.3 | 91% | 0.908 | 76% | 0.755 | S | S | * | * | trans | 72.4 | 100.1 | 166.8 | -72.8 | -84.8 | 0 | 0 | 0 | 119 | ||||
| 16 | S | 25.1 | Very low | 28 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | trans | -145.1 | 118 | 134 | 57.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 17 | S | 23 | Very low | 28.6 | Very low | 91 Ų | 91 | 124.2 Ų | 124.2 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | trans | 11.5 | 127.8 | 159.1 | 57.8 | 0 | 0 | 0 | 0 | 119.9 | T19 | S17-T19 PolarHBondContact O-N 2.73Š| ||
| 18 | P | 28.5 | Very low | 29.3 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 84% | 0.844 | 73% | 0.73 | S | S | * | * | trans | -81 | 102.8 | 158.2 | 32.9 | -24.6 | 0 | 0 | 0 | 108.1 | C20 | P18-C20 PolarHBondContact O-N 3.11Š| ||
| 19 | T | 24.2 | Very low | 29.8 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | trans | -60.6 | 118.8 | 150.6 | 38 | 0 | 0 | 0 | 0 | 107.1 | S17 S21 | S17-T19 PolarHBondContact O-N 2.73Å; T19-S21 VanDerWaalsContact C-N 3.32Å; T19-S21 PolarHBondContact O-N 3.48Å | ||
| 20 | C | 23.3 | Very low | 30.9 | Very low | 126 Ų | 126 | 124.5 Ų | 124.5 | 85% | 0.851 | 70% | 0.7 | S | S | * | * | trans | -52 | 96.6 | 165.9 | -82.7 | 0 | 0 | 0 | 0 | 109.1 | P18 F22 | P18-C20 PolarHBondContact O-N 3.11Å; C20-F22 PolarHBondContact O-N 3.09Å | ||
| 21 | S | 26.4 | Very low | 31.8 | Very low | 98 Ų | 98 | 121.7 Ų | 121.7 | 69% | 0.685 | 69% | 0.694 | S | S | * | * | trans | -67.8 | 119.9 | 160.1 | 50 | 0 | 0 | 0 | 0 | 107.1 | T19 I23 | T19-S21 VanDerWaalsContact C-N 3.32Å; T19-S21 PolarHBondContact O-N 3.48Å; S21-I23 PolarHBondContact O-N 2.82Å | ||
| 22 | F | 25.7 | Very low | 33.1 | Very low | 209 Ų | 209 | 122 Ų | 122 | 92% | 0.917 | 69% | 0.688 | S | S | * | * | trans | -48.2 | 109.1 | 174.1 | -78.6 | -99.2 | 0 | 0 | 0 | 109.8 | C20 S24 | C20-F22 PolarHBondContact O-N 3.09Å; F22-S24 PolarHBondContact O-N 3.29Å | ||
| 23 | I | 31.7 | Very low | 34.6 | Very low | 111 Ų | 111 | 116.6 Ų | 116.6 | 57% | 0.569 | 65% | 0.65 | S | S | * | * | trans | -66 | 115.9 | 158.9 | -62.1 | 169.4 | 0 | 0 | 0 | 104.3 | S21 E25 D27 | S21-I23 PolarHBondContact O-N 2.82Å; I23-E25 PolarHBondContact O-N 3.23Å; I23-D27 HydrophobicContact CG2-CB 3.96Å | ||
| 24 | S | 36.9 | Very low | 35.7 | Very low | 60 Ų | 60 | 114.1 Ų | 114.1 | 42% | 0.42 | 63% | 0.627 | S | S | . | * | trans | -56.8 | 138.6 | 172.6 | 49 | 0 | 0 | 0 | 0 | 108.5 | F22 E26 D27 | F22-S24 PolarHBondContact O-N 3.29Å; S24-E26 PolarHBondContact O-N 3.38Å; S24-D27 PolarHBondContact O-N 3.03Å | ||
| 25 | E | 36.1 | Very low | 37.1 | Very low | 164 Ų | 164 | 112.4 Ų | 112.4 | 77% | 0.766 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -56.1 | -25.1 | 178.5 | -81.5 | -172.3 | 145.3 | 0 | 0 | 112.3 | I23 D27 R28 I29 | I23-E25 PolarHBondContact O-N 3.23Å; E25-D27 VanDerWaalsContact C-N 3.33Å; E25-D27 PolarHBondContact O-N 3.38Å; E25-R28 PolarHBondContact O-N 3.32Å; E25-I29 HydrophobicContact CB-CD1 4.25Å; E25-I29 VanDerWaalsContact O-CD1 3.29Å; E25-I29 WeakPolarHBondContact O-CD1 3.17Å; E25-I29 VanDerWaalsContact O-CG1 3.26Å; E25-I29 WeakPolarHBondContact O-CG1 3.25Å |
| 26 | E | 42 | Very low | 38.5 | Very low | 157 Ų | 157 | 103.5 Ų | 103.5 | 73% | 0.734 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -57.8 | -36.6 | 174.4 | -69.6 | -179.4 | 158.7 | 0 | 0 | 113.6 | S24 R28 I29 | S24-E26 PolarHBondContact O-N 3.38Å; E26-R28 PolarHBondContact O-N 2.81Å; E26-R28 VanDerWaalsContact O-N 3.1Å; E26-I29 PolarHBondContact O-N 2.94Å |
| 27 | D | 42.7 | Very low | 40 | Very low | 72 Ų | 72 | 98.3 Ų | 98.3 | 39% | 0.385 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -69.4 | -8.7 | -179.5 | -86.6 | -13.3 | 0 | 0 | 0 | 113.1 | I23 S24 E25 | I23-D27 HydrophobicContact CG2-CB 3.96Å; S24-D27 PolarHBondContact O-N 3.03Å; E25-D27 VanDerWaalsContact C-N 3.33Å; E25-D27 PolarHBondContact O-N 3.38Å |
| 28 | R | 42 | Very low | 41.1 | Very low | 209 Ų | 209 | 96.3 Ų | 96.3 | 79% | 0.789 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -108.7 | -9.8 | -179.9 | -86 | -175.4 | 168.9 | 175.7 | -0.1 | 114.7 | E25 E26 | E25-R28 PolarHBondContact O-N 3.32Å; E26-R28 PolarHBondContact O-N 2.81Å; E26-R28 VanDerWaalsContact O-N 3.1Å |
| 29 | I | 40.8 | Very low | 42 | Very low | 114 Ų | 114 | 94 Ų | 94 | 59% | 0.585 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -13.7 | -164.7 | -70.4 | 166.9 | 0 | 0 | 0 | 114.3 | E25 E26 S31 | E25-I29 HydrophobicContact CB-CD1 4.25Å; E25-I29 VanDerWaalsContact O-CD1 3.29Å; E25-I29 WeakPolarHBondContact O-CD1 3.17Å; E25-I29 VanDerWaalsContact O-CG1 3.26Å; E25-I29 WeakPolarHBondContact O-CG1 3.25Å; E26-I29 PolarHBondContact O-N 2.94Å; I29-S31 PolarHBondContact O-N 2.86Å |
| 30 | D | 48.2 | Very low | 42.8 | Very low | 58 Ų | 58 | 88.7 Ų | 88.7 | 31% | 0.31 | 47% | 0.467 | S | S | . | . | trans | -85.9 | 74.9 | -179.7 | -76.3 | -7.2 | 0 | 0 | 0 | 112.5 | D32 I33 | D30-D32 PolarHBondContact O-N 3.2Å; D30-D32 VanDerWaalsContact O-N 3.12Å; D30-I33 HydrophobicContact CB-CD1 3.59Å; D30-I33 HydrophobicContact CB-CG1 3.92Å; D30-I33 PolarHBondContact O-N 2.68Å; D30-I33 WeakPolarHBondContact OD2-CD1 3.23Å | ||
| 31 | S | 48.2 | Very low | 43.4 | Very low | 87 Ų | 87 | 86.1 Ų | 86.1 | 61% | 0.608 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -54.8 | -22.2 | 165.4 | 52.4 | 0 | 0 | 0 | 0 | 113 | I29 E34 | I29-S31 PolarHBondContact O-N 2.86Å; S31-E34 PolarHBondContact O-N 2.83Å |
| 32 | D | 51.3 | Low | 43.6 | Very low | 105 Ų | 105 | 86.9 Ų | 86.9 | 56% | 0.561 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -72.2 | -32.2 | -176.5 | -61.1 | -13.1 | 0 | 0 | 0 | 112 | D30 E34 A35 D36 | D30-D32 PolarHBondContact O-N 3.2Å; D30-D32 VanDerWaalsContact O-N 3.12Å; D32-E34 VanDerWaalsContact C-N 3.27Å; D32-E34 PolarHBondContact O-N 2.9Å; D32-A35 WeakPolarHBondContact O-CB 3.48Å; D32-A35 PolarHBondContact O-N 2.86Å; D32-A35 VanDerWaalsContact O-N 3.07Å; D32-D36 PolarHBondContact O-N 2.65Å |
| 33 | I | 55.1 | Low | 43.7 | Very low | 2 Ų | 2 | 79.7 Ų | 79.7 | 1% | 0.01 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -68.2 | -29.8 | 179 | -64.1 | 168.2 | 0 | 0 | 0 | 111.3 | D30 A35 D36 R70 A72 L547 | D30-I33 HydrophobicContact CB-CD1 3.59Å; D30-I33 HydrophobicContact CB-CG1 3.92Å; D30-I33 PolarHBondContact O-N 2.68Å; D30-I33 WeakPolarHBondContact OD2-CD1 3.23Å; I33-A35 VanDerWaalsContact C-N 3.28Å; I33-A35 PolarHBondContact O-N 3.31Å; I33-D36 PolarHBondContact O-N 3.42Å; I33-R70 HydrophobicContact CD1-CB 3.94Å; I33-R70 HydrophobicContact CD1-CG 3.81Å; I33-R70 HydrophobicContact CG1-CG 4.2Å; I33-A72 HydrophobicContact CB-CB 3.84Å; I33-A72 HydrophobicContact CD1-CB 3.75Å; I33-A72 HydrophobicContact CG1-CB 4.39Å; I33-A72 HydrophobicContact CG2-CB 3.49Å; I33-A72 VanDerWaalsContact CG2-CB 3.49Å; I33-L547 HydrophobicContact CG2-CD2 3.79Å |
| 34 | E | 51.8 | Low | 43.9 | Very low | 80 Ų | 80 | 76.3 Ų | 76.3 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.4 | -28.5 | 174.2 | -64.8 | -164.5 | 150.8 | 0 | 0 | 112.2 | S31 D32 S75 Q118 | S31-E34 PolarHBondContact O-N 2.83Å; D32-E34 VanDerWaalsContact C-N 3.27Å; D32-E34 PolarHBondContact O-N 2.9Å; E34-S75 PolarHBondContact OE1-OG 3.38Å; E34-Q118 PolarHBondContact OE1-NE2 2.91Å |
| 35 | A | 52.7 | Low | 43.8 | Very low | 46 Ų | 46 | 77.5 Ų | 77.5 | 38% | 0.38 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -74.2 | -28 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | D32 I33 L38 Q39 | D32-A35 WeakPolarHBondContact O-CB 3.48Å; D32-A35 PolarHBondContact O-N 2.86Å; D32-A35 VanDerWaalsContact O-N 3.07Å; I33-A35 VanDerWaalsContact C-N 3.28Å; I33-A35 PolarHBondContact O-N 3.31Å; A35-L38 WeakPolarHBondContact O-CA 3.46Å; A35-L38 WeakPolarHBondContact O-CB 3.36Å; A35-L38 PolarHBondContact O-N 3.24Å; A35-L38 VanDerWaalsContact O-N 3.08Å; A35-Q39 PolarHBondContact O-N 3.47Å |
| 36 | D | 52.8 | Low | 43.7 | Very low | 19 Ų | 19 | 72.7 Ų | 72.7 | 10% | 0.102 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -80.4 | -20.5 | -174.6 | -65.2 | -34 | 0 | 0 | 0 | 115 | D32 I33 L38 Q39 A40 R70 Q536 | D32-D36 PolarHBondContact O-N 2.65Å; I33-D36 PolarHBondContact O-N 3.42Å; D36-L38 PolarHBondContact O-N 2.91Å; D36-Q39 PolarHBondContact O-N 3.08Å; D36-Q39 PolarHBondContact OD1-OE1 3.29Å; D36-A40 PolarHBondContact O-N 3.31Å; D36-R70 IonicContact OD2-CZ 3.54Å; D36-R70 IonicContact OD2-NH1 3.37Å; D36-R70 PolarHBondContact OD2-NH1 2.96Å; D36-R70 IonicContact OD2-NH2 2.85Å; D36-R70 PolarHBondContact OD2-NH2 2.95Å; D36-Q536 PolarHBondContact O-NE2 3.23Å |
| 37 | I | 55.5 | Low | 43.2 | Very low | 3 Ų | 3 | 69.2 Ų | 69.2 | 2% | 0.015 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61 | -28.9 | 166.3 | -52.4 | 172.7 | 0 | 0 | 0 | 109.6 | L74 L116 Q118 L547 | I37-L74 HydrophobicContact CD1-CD1 4.14Å; I37-L74 HydrophobicContact CD1-CD2 3.21Å; I37-L74 HydrophobicContact CD1-CG 4.33Å; I37-L74 HydrophobicContact CG1-CD2 4.48Å; I37-L116 HydrophobicContact CG2-CB 3.81Å; I37-L116 HydrophobicContact CG2-CD2 3.74Å; I37-L116 HydrophobicContact CG2-CG 4.3Å; I37-L116 WeakPolarHBondContact CG2-O 3.16Å; I37-L116 WeakPolarHBondContact O-CB 3.14Å; I37-L116 WeakPolarHBondContact O-CD1 3.48Å; I37-Q118 HydrophobicContact CD1-CG 4.49Å; I37-L547 HydrophobicContact CD1-CD2 3.92Å; I37-L547 HydrophobicContact CG1-CD2 3.49Å; I37-L547 VanDerWaalsContact CG1-CD2 3.49Å |
| 38 | L | 47.7 | Very low | 42.9 | Very low | 49 Ų | 49 | 68.1 Ų | 68.1 | 26% | 0.257 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -80.3 | -38.5 | 177.2 | -46.9 | 178.2 | 0 | 0 | 0 | 111.6 | A35 D36 A40 N41 L116 H117 | A35-L38 WeakPolarHBondContact O-CA 3.46Å; A35-L38 WeakPolarHBondContact O-CB 3.36Å; A35-L38 PolarHBondContact O-N 3.24Å; A35-L38 VanDerWaalsContact O-N 3.08Å; D36-L38 PolarHBondContact O-N 2.91Å; L38-A40 VanDerWaalsContact C-N 3.26Å; L38-A40 PolarHBondContact O-N 3Å; L38-N41 PolarHBondContact O-N 3.39Å; L38-L116 HydrophobicContact CD2-CB 4.14Å; L38-H117 WeakPolarHBondContact CD1-CE1 3.48Å; L38-H117 WeakPolarHBondContact CD1-ND1 3.22Å; L38-H117 HydrophobicContact CD2-CB 4.05Å; L38-H117 VanDerWaalsContact CD2-CD2 3.45Å; L38-H117 WeakPolarHBondContact CD2-CD2 3.36Å; L38-H117 WeakPolarHBondContact CD2-CE1 3.39Å; L38-H117 WeakPolarHBondContact CD2-ND1 3.2Å; L38-H117 WeakPolarHBondContact CD2-NE2 3.42Å |
| 39 | Q | 45.9 | Very low | 42.7 | Very low | 81 Ų | 81 | 65.1 Ų | 65.1 | 38% | 0.379 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.3 | -18.6 | 176 | -71.4 | -169.8 | -4.1 | 0 | 0 | 113.8 | A35 D36 N41 I42 D43 | A35-Q39 PolarHBondContact O-N 3.47Å; D36-Q39 PolarHBondContact O-N 3.08Å; D36-Q39 PolarHBondContact OD1-OE1 3.29Å; Q39-N41 PolarHBondContact O-N 3.17Å; Q39-I42 PolarHBondContact O-N 2.95Å; Q39-D43 HydrophobicContact CB-CB 4.03Å; Q39-D43 HydrophobicContact CG-CB 3.97Å; Q39-D43 CarbonylContact O-C 3.6Å; Q39-D43 PolarHBondContact O-N 3.12Å |
| 40 | A | 41.3 | Very low | 42.5 | Very low | 13 Ų | 13 | 62.6 Ų | 62.6 | 11% | 0.107 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -17.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D36 L38 | D36-A40 PolarHBondContact O-N 3.31Å; L38-A40 VanDerWaalsContact C-N 3.26Å; L38-A40 PolarHBondContact O-N 3Å |
| 41 | N | 35.9 | Very low | 41.8 | Very low | 71 Ų | 71 | 61.4 Ų | 61.4 | 38% | 0.38 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -16.4 | 170.5 | -95.5 | -34.7 | 0 | 0 | 0 | 115.4 | L38 Q39 L116 K317 | L38-N41 PolarHBondContact O-N 3.39Å; Q39-N41 PolarHBondContact O-N 3.17Å; N41-L116 WeakPolarHBondContact ND2-CD1 3.33Å; N41-K317 PolarHBondContact O-NZ 3.25Å |
| 42 | I | 30.4 | Very low | 41.2 | Very low | 115 Ų | 115 | 59.9 Ų | 59.9 | 59% | 0.59 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.8 | -18.4 | -166.9 | -62.4 | -177.2 | 0 | 0 | 0 | 114.6 | Q39 | Q39-I42 PolarHBondContact O-N 2.95Š|
| 43 | D | 29.3 | Very low | 40.5 | Very low | 58 Ų | 58 | 56.3 Ų | 56.3 | 31% | 0.31 | 31% | 0.308 | S | S | . | . | trans | -146.2 | 92 | 178.7 | -83 | -56.1 | 0 | 0 | 0 | 113 | Q39 N45 N319 | Q39-D43 HydrophobicContact CB-CB 4.03Å; Q39-D43 HydrophobicContact CG-CB 3.97Å; Q39-D43 CarbonylContact O-C 3.6Å; Q39-D43 PolarHBondContact O-N 3.12Å; D43-N45 PolarHBondContact OD1-ND2 3.49Å; D43-N319 WeakPolarHBondContact CA-ND2 3.34Å; D43-N319 PolarHBondContact OD1-ND2 3.24Å | ||
| 44 | E | 34.9 | Very low | 39.6 | Very low | 39 Ų | 39 | 58.5 Ų | 58.5 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | trans | -100.8 | 65 | 159.7 | -67.7 | -174.4 | 154.6 | 0 | 0 | 108.8 | T46 K317 N319 | E44-T46 PolarHBondContact O-N 3.48Å; E44-K317 HydrophobicContact CB-CB 3.94Å; E44-K317 WeakPolarHBondContact CB-O 3.36Å; E44-K317 HydrophobicContact CG-CB 4.38Å; E44-K317 PolarHBondContact OE2-N 2.89Å; E44-N319 VanDerWaalsContact C-ND2 3.28Å; E44-N319 PolarHBondContact N-ND2 3.01Å; E44-N319 VanDerWaalsContact N-ND2 3.17Å; E44-N319 WeakPolarHBondContact O-CB 3.29Å | ||
| 45 | N | 34.3 | Very low | 39 | Very low | 86 Ų | 86 | 58.2 Ų | 58.2 | 46% | 0.46 | 33% | 0.333 | S | S | . | . | trans | -77.3 | 74.8 | -179.1 | -104.1 | -37.5 | 0 | 0 | 0 | 109.6 | D43 N319 | D43-N45 PolarHBondContact OD1-ND2 3.49Å; N45-N319 WeakPolarHBondContact CA-ND2 3.48Å; N45-N319 HydrophobicContact CB-CB 4.02Å; N45-N319 WeakPolarHBondContact CB-ND2 3.47Å; N45-N319 VanDerWaalsContact CG-CB 3.46Å; N45-N319 PolarHBondContact N-ND2 2.9Å; N45-N319 VanDerWaalsContact ND2-CG 3.29Å; N45-N319 PolarHBondContact ND2-ND2 3.01Å; N45-N319 VanDerWaalsContact OD1-C 3.27Å; N45-N319 WeakPolarHBondContact OD1-CB 3.36Å; N45-N319 PolarHBondContact OD1-ND2 2.81Å; N45-N319 PolarHBondContact OD1-OD1 3.35Å | ||
| 46 | T | 34.8 | Very low | 38.3 | Very low | 62 Ų | 62 | 59.4 Ų | 59.4 | 38% | 0.38 | 33% | 0.333 | S | S | . | . | trans | 156.6 | 104.6 | 136 | 36.4 | 0 | 0 | 0 | 0 | 110.4 | E44 V48 | E44-T46 PolarHBondContact O-N 3.48Å; T46-V48 HydrophobicContact CG2-CB 3.95Å; T46-V48 HydrophobicContact CG2-CG2 3.27Å; T46-V48 PolarHBondContact O-N 3.29Å | ||
| 47 | T | 32.1 | Very low | 37.3 | Very low | 84 Ų | 84 | 66.6 Ų | 66.6 | 52% | 0.515 | 37% | 0.366 | S | S | . | . | trans | -72 | 57.8 | 140.8 | 51.8 | 0 | 0 | 0 | 0 | 108.5 | S316 T318 | T47-S316 WeakPolarHBondContact CG2-OG 3.39Å; T47-T318 HydrophobicContact CG2-CG2 4.48Å | ||
| 48 | V | 36.5 | Very low | 36.2 | Very low | 49 Ų | 49 | 72 Ų | 72 | 30% | 0.297 | 40% | 0.404 | S | S | . | . | trans | -91.1 | 107.1 | 165.9 | 170.5 | 0 | 0 | 0 | 0 | 104.5 | T46 T50 | T46-V48 HydrophobicContact CG2-CB 3.95Å; T46-V48 HydrophobicContact CG2-CG2 3.27Å; T46-V48 PolarHBondContact O-N 3.29Å; V48-T50 PolarHBondContact O-N 2.98Å | ||
| 49 | R | 37.5 | Very low | 35.6 | Very low | 147 Ų | 147 | 73.5 Ų | 73.5 | 56% | 0.555 | 42% | 0.418 | S | S | * | . | trans | -10.6 | 94 | 163.8 | -66.4 | 175.1 | 175 | 171.2 | -3.5 | 109.9 | C51 P579 | R49-C51 PolarHBondContact O-N 2.86Å; R49-P579 VanDerWaalsContact CD-CB 3.47Å; R49-P579 PolarHBondContact NH1-O 3.26Å | ||
| 50 | T | 35.1 | Very low | 35 | Very low | 60 Ų | 60 | 79.8 Ų | 79.8 | 37% | 0.368 | 45% | 0.445 | S | S | . | . | trans | -54.4 | 112.1 | 171.1 | 37.5 | 0 | 0 | 0 | 0 | 105 | V48 S52 | V48-T50 PolarHBondContact O-N 2.98Å; T50-S52 PolarHBondContact O-N 2.87Å | ||
| 51 | C | 35.2 | Very low | 34.6 | Very low | 34 Ų | 34 | 87.6 Ų | 87.6 | 23% | 0.23 | 48% | 0.478 | C | S | . | . | trans | -45.9 | 117.1 | -175.3 | -70.5 | 0 | 0 | 0 | 0 | 107.1 | R49 P53 A575 A576 | R49-C51 PolarHBondContact O-N 2.86Å; C51-P53 WeakPolarHBondContact O-CD 3.26Å; C51-P53 VanDerWaalsContact O-N 3.08Å; C51-A575 HydrophobicContact CB-CB 4.07Å; C51-A575 PolarHBondContact SG-O 3.49Å; C51-A576 PolarHBondContact SG-N 3.47Å | ||
| 52 | S | 35.9 | Very low | 34.6 | Very low | 54 Ų | 54 | 88.9 Ų | 88.9 | 38% | 0.378 | 49% | 0.485 | S | S | . | . | trans | -61.2 | 117.2 | 174.2 | -60.8 | 0 | 0 | 0 | 0 | 106.2 | T50 A54 S55 | T50-S52 PolarHBondContact O-N 2.87Å; S52-A54 PolarHBondContact O-N 3.24Å; S52-S55 PolarHBondContact O-N 2.77Å; S52-S55 PolarHBondContact O-OG 2.8Å | ||
| 53 | P | 35.9 | Very low | 34.7 | Very low | 31 Ų | 31 | 86.1 Ų | 86.1 | 20% | 0.201 | 48% | 0.484 | C | S | . | . | G | 310 helix | trans | -61.8 | -12 | -179.7 | 17.5 | -24.4 | 0 | 0 | 0 | 112.4 | C51 S55 L56 N485 L492 | C51-P53 WeakPolarHBondContact O-CD 3.26Å; C51-P53 VanDerWaalsContact O-N 3.08Å; P53-S55 PolarHBondContact O-N 3.19Å; P53-L56 PolarHBondContact O-N 2.76Å; P53-N485 WeakPolarHBondContact CD-ND2 3.38Å; P53-N485 HydrophobicContact CG-CB 4.49Å; P53-L492 HydrophobicContact CB-CD2 4Å; P53-L492 HydrophobicContact CG-CD1 4.22Å; P53-L492 HydrophobicContact CG-CD2 3.31Å; P53-L492 HydrophobicContact CG-CG 4.4Å |
| 54 | A | 36.6 | Very low | 35.5 | Very low | 47 Ų | 47 | 90.1 Ų | 90.1 | 39% | 0.388 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -52.4 | -21.2 | 174 | 0 | 0 | 0 | 0 | 0 | 114.8 | S52 T488 | S52-A54 PolarHBondContact O-N 3.24Å; A54-T488 HydrophobicContact CB-CG2 4.33Å |
| 55 | S | 38.6 | Very low | 36.5 | Very low | 74 Ų | 74 | 89.4 Ų | 89.4 | 52% | 0.517 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -87.1 | 2.4 | 175.5 | 52.3 | 0 | 0 | 0 | 0 | 115.4 | S52 P53 | S52-S55 PolarHBondContact O-N 2.77Å; S52-S55 PolarHBondContact O-OG 2.8Å; P53-S55 PolarHBondContact O-N 3.19Å |
| 56 | L | 37.9 | Very low | 37.9 | Very low | 71 Ų | 71 | 90 Ų | 90 | 37% | 0.372 | 51% | 0.51 | S | S | . | . | trans | -115.8 | 50.7 | -179.7 | -84.1 | 142.7 | 0 | 0 | 0 | 111.6 | P53 S58 N571 | P53-L56 PolarHBondContact O-N 2.76Å; L56-S58 VanDerWaalsContact C-N 3.27Å; L56-S58 PolarHBondContact O-N 2.96Å; L56-N571 HydrophobicContact CD2-CB 4.32Å | ||
| 57 | Q | 32.8 | Very low | 39.7 | Very low | 170 Ų | 170 | 87.3 Ų | 87.3 | 79% | 0.794 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 29.1 | 179.4 | -78.1 | -166.5 | -12.9 | 0 | 0 | 115.4 | ||
| 58 | S | 32.2 | Very low | 41.9 | Very low | 118 Ų | 118 | 85 Ų | 85 | 83% | 0.825 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | 4.2 | -179.9 | 63.6 | 0 | 0 | 0 | 0 | 116.6 | L56 | L56-S58 VanDerWaalsContact C-N 3.27Å; L56-S58 PolarHBondContact O-N 2.96Å |
| 59 | S | 33.6 | Very low | 44 | Very low | 80 Ų | 80 | 82.8 Ų | 82.8 | 56% | 0.559 | 46% | 0.463 | S | S | * | . | trans | -131.6 | 95 | 174.4 | 179 | 0 | 0 | 0 | 0 | 111.8 | H61 | S59-H61 PolarHBondContact O-N 2.88Å; S59-H61 VanDerWaalsContact O-N 3.16Å | ||
| 60 | K | 33.7 | Very low | 46.1 | Very low | 213 Ų | 213 | 76.9 Ų | 76.9 | 93% | 0.926 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | 17.9 | 174.9 | -77.7 | -175.3 | 175.1 | 178.2 | 0 | 113.9 | ||
| 61 | H | 33.8 | Very low | 48.3 | Very low | 176 Ų | 176 | 75.7 Ų | 75.7 | 82% | 0.815 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.1 | 22.7 | -167.3 | -101.7 | -60.9 | 0 | 0 | 0 | 117 | S59 | S59-H61 PolarHBondContact O-N 2.88Å; S59-H61 VanDerWaalsContact O-N 3.16Å |
| 62 | L | 35.3 | Very low | 50.6 | Low | 99 Ų | 99 | 74.6 Ų | 74.6 | 52% | 0.518 | 42% | 0.424 | S | S | . | . | trans | -98.4 | 93.1 | 165.7 | -107.4 | 75.8 | 0 | 0 | 0 | 111.2 | L568 | L62-L568 HydrophobicContact CD2-CD1 4Å; L62-L568 HydrophobicContact CD2-CD2 4Å | ||
| 63 | G | 33.4 | Very low | 52.8 | Low | 56 Ų | 56 | 75 Ų | 75 | 58% | 0.577 | 42% | 0.421 | S | S | * | . | trans | -68.3 | 135.8 | 157.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | S65 | G63-S65 PolarHBondContact O-N 3.05Š| ||
| 64 | T | 46.2 | Very low | 55.2 | Low | 142 Ų | 142 | 73.7 Ų | 73.7 | 87% | 0.871 | 41% | 0.412 | S | S | * | . | trans | 55.9 | 41.7 | 146.5 | 63.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 65 | S | 54.6 | Low | 57.2 | Low | 24 Ų | 24 | 74.4 Ų | 74.4 | 17% | 0.168 | 41% | 0.414 | C | S | . | . | trans | -98 | 115.1 | 165.5 | -150.6 | 0 | 0 | 0 | 0 | 109.4 | G63 V67 R563 | G63-S65 PolarHBondContact O-N 3.05Å; S65-V67 VanDerWaalsContact C-N 3.29Å; S65-V67 PolarHBondContact O-N 3.5Å; S65-R563 PolarHBondContact OG-NH1 3.1Å | ||
| 66 | Q | 64.2 | Low | 59.2 | Low | 99 Ų | 99 | 73.1 Ų | 73.1 | 46% | 0.463 | 41% | 0.405 | S | S | . | . | trans | -73.3 | 77.1 | -178.5 | -70.3 | 178.2 | -5 | 0 | 0 | 111.2 | E493 I495 F559 | Q66-E493 WeakPolarHBondContact CA-OE1 3.47Å; Q66-E493 VanDerWaalsContact CB-OE1 3.3Å; Q66-E493 WeakPolarHBondContact CB-OE1 3.42Å; Q66-I495 HydrophobicContact CG-CG1 4.28Å; Q66-F559 WeakPolarHBondContact O-CE1 2.97Å; Q66-F559 WeakPolarHBondContact O-CZ 3.42Å | ||
| 67 | V | 72.4 | Confident | 61.4 | Low | 5 Ų | 5 | 69.8 Ų | 69.8 | 3% | 0.03 | 39% | 0.388 | C | S | . | . | trans | -96.7 | -38.4 | -169.6 | 177.2 | 0 | 0 | 0 | 0 | 112.4 | S65 E493 R551 L560 | S65-V67 VanDerWaalsContact C-N 3.29Å; S65-V67 PolarHBondContact O-N 3.5Å; V67-E493 PolarHBondContact N-OE2 3.31Å; V67-R551 VanDerWaalsContact O-CD 3.27Å; V67-R551 WeakPolarHBondContact O-CD 3.16Å; V67-L560 HydrophobicContact CG1-CD1 3.98Å; V67-L560 HydrophobicContact CG1-CD2 4.17Å; V67-L560 HydrophobicContact CG1-CG 4.03Å; V67-L560 HydrophobicContact CG2-CD2 3.68Å; V67-L560 HydrophobicContact CG2-CG 4.43Å | ||
| 68 | F | 77.8 | Confident | 64 | Low | 35 Ų | 35 | 61.8 Ų | 61.8 | 15% | 0.154 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -96.5 | -27.5 | -169.2 | -56 | -75.9 | 0 | 0 | 0 | 113.2 | L483 L492 E493 L550 R551 Y572 | F68-L483 HydrophobicContact CB-CD2 3.71Å; F68-L483 HydrophobicContact CG-CD2 4.33Å; F68-L492 HydrophobicContact CD2-CB 4.33Å; F68-L492 HydrophobicContact CE2-CB 4.2Å; F68-E493 VanDerWaalsContact CA-OE2 3.28Å; F68-E493 WeakPolarHBondContact CA-OE2 3.48Å; F68-E493 VanDerWaalsContact CB-OE2 3.24Å; F68-E493 WeakPolarHBondContact CB-OE2 3.26Å; F68-E493 HydrophobicContact CD2-CB 4.28Å; F68-E493 PolarHBondContact N-OE2 3.04Å; F68-L550 CarbonylContact O-C 3.57Å; F68-L550 WeakPolarHBondContact O-CA 3.38Å; F68-R551 PolarHBondContact O-N 3.03Å; F68-Y572 AromaticContact CE1-CE1 3.8Å; F68-Y572 HydrophobicContact CE1-CE1 3.8Å; F68-Y572 AromaticContact CE1-CZ 3.99Å; F68-Y572 HydrophobicContact CZ-CE1 4.05Å; F68-Y572 AromaticContact CZ-CZ 3.87Å; F68-Y572 WeakPolarHBondContact CZ-OH 3.21Å |
| 69 | I | 81.7 | Confident | 66.3 | Low | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.015 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 141.4 | -177.2 | -57 | 169.8 | 0 | 0 | 0 | 110.1 | L481 L483 E493 I495 I548 | I69-L481 HydrophobicContact CD1-CD2 3.65Å; I69-L483 HydrophobicContact CD1-CB 3.63Å; I69-L483 HydrophobicContact CD1-CD2 4.17Å; I69-L483 HydrophobicContact CD1-CG 4.36Å; I69-L483 HydrophobicContact CG1-CB 4.33Å; I69-L483 HydrophobicContact CG1-CD2 3.92Å; I69-E493 HydrophobicContact CD1-CB 4.36Å; I69-E493 HydrophobicContact CD1-CG 4.44Å; I69-E493 PolarHBondContact N-OE2 2.9Å; I69-I495 HydrophobicContact CB-CD1 3.52Å; I69-I495 HydrophobicContact CD1-CD1 4.08Å; I69-I495 HydrophobicContact CD1-CG1 4.36Å; I69-I495 HydrophobicContact CG1-CD1 4.42Å; I69-I495 HydrophobicContact CG2-CD1 3.41Å; I69-I495 VanDerWaalsContact CG2-CD1 3.41Å; I69-I548 HydrophobicContact CG2-CG2 3.3Å |
| 70 | R | 80.8 | Confident | 68.7 | Low | 23 Ų | 23 | 58.3 Ų | 58.3 | 9% | 0.087 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 149.3 | 165.1 | 65.5 | -172.5 | 171.3 | 150 | 1.7 | 110.2 | I33 D36 I548 A549 R551 E555 | I33-R70 HydrophobicContact CD1-CB 3.94Å; I33-R70 HydrophobicContact CD1-CG 3.81Å; I33-R70 HydrophobicContact CG1-CG 4.2Å; D36-R70 IonicContact OD2-CZ 3.54Å; D36-R70 IonicContact OD2-NH1 3.37Å; D36-R70 PolarHBondContact OD2-NH1 2.96Å; D36-R70 IonicContact OD2-NH2 2.85Å; D36-R70 PolarHBondContact OD2-NH2 2.95Å; R70-I548 WeakPolarHBondContact O-CA 3.29Å; R70-A549 HydrophobicContact CG-CB 4.16Å; R70-A549 WeakPolarHBondContact CG-O 3.33Å; R70-A549 PolarHBondContact N-O 3.11Å; R70-A549 PolarHBondContact O-N 2.72Å; R70-R551 HydrophobicContact CB-CG 4.32Å; R70-R551 HydrophobicContact CG-CG 4.4Å; R70-E555 IonicContact CZ-OE2 3.98Å |
| 71 | K | 82.7 | Confident | 71.1 | Confident | 35 Ų | 35 | 48.7 Ų | 48.7 | 15% | 0.152 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 132.7 | -173 | 172.6 | -169.2 | 164.9 | -160 | 0 | 108.6 | L547 I548 | K71-L547 WeakPolarHBondContact CA-O 3.3Å; K71-I548 HydrophobicContact CB-CG1 4.4Å; K71-I548 HydrophobicContact CG-CG1 4.28Å |
| 72 | A | 82.3 | Confident | 73.3 | Confident | 12 Ų | 12 | 45 Ų | 45 | 10% | 0.099 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 152.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I33 Y546 L547 | I33-A72 HydrophobicContact CB-CB 3.84Å; I33-A72 HydrophobicContact CD1-CB 3.75Å; I33-A72 HydrophobicContact CG1-CB 4.39Å; I33-A72 HydrophobicContact CG2-CB 3.49Å; I33-A72 VanDerWaalsContact CG2-CB 3.49Å; A72-Y546 CarbonylContact O-C 3.45Å; A72-Y546 WeakPolarHBondContact O-CA 3.28Å; A72-L547 PolarHBondContact N-O 2.96Å; A72-L547 PolarHBondContact O-N 3.09Å |
| 73 | M | 82.9 | Confident | 75.4 | Confident | 62 Ų | 62 | 45.3 Ų | 45.3 | 31% | 0.305 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 131.7 | 168.7 | -173.6 | 179.5 | -179.3 | 0 | 0 | 109.7 | S75 S78 T543 Y546 | M73-S75 PolarHBondContact O-N 2.71Å; M73-S78 VanDerWaalsContact CE-CB 3.45Å; M73-T543 WeakPolarHBondContact CE-O 3.22Å; M73-Y546 HydrophobicContact CB-CD1 3.95Å; M73-Y546 HydrophobicContact CB-CE1 3.76Å; M73-Y546 HydrophobicContact CG-CD1 4.34Å; M73-Y546 HydrophobicContact CG-CE1 3.99Å; M73-Y546 HydrophobicContact SD-CE1 4.41Å |
| 74 | L | 85.5 | Confident | 77.4 | Confident | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | trans | -74.5 | 81.2 | 171.3 | -58.9 | -164.4 | 0 | 0 | 0 | 109 | I37 S76 V77 S78 L538 L545 L547 | I37-L74 HydrophobicContact CD1-CD1 4.14Å; I37-L74 HydrophobicContact CD1-CD2 3.21Å; I37-L74 HydrophobicContact CD1-CG 4.33Å; I37-L74 HydrophobicContact CG1-CD2 4.48Å; L74-S76 VanDerWaalsContact C-N 3.35Å; L74-S76 PolarHBondContact O-N 3.23Å; L74-V77 HydrophobicContact CB-CB 4.13Å; L74-V77 HydrophobicContact CB-CG2 4.3Å; L74-V77 PolarHBondContact O-N 3.44Å; L74-S78 WeakPolarHBondContact O-CB 3.12Å; L74-S78 PolarHBondContact O-N 2.86Å; L74-S78 PolarHBondContact O-OG 3.31Å; L74-L538 HydrophobicContact CD1-CD1 3.72Å; L74-L538 HydrophobicContact CG-CD1 4.47Å; L74-L545 HydrophobicContact CB-CB 4.46Å; L74-L545 HydrophobicContact CB-CD2 4.5Å; L74-L545 HydrophobicContact CD1-CD2 3.81Å; L74-L545 HydrophobicContact CD1-CG 4.26Å; L74-L545 PolarHBondContact N-O 2.94Å; L74-L547 HydrophobicContact CD2-CB 4Å; L74-L547 HydrophobicContact CD2-CD2 4.5Å; L74-L547 HydrophobicContact CG-CB 4.43Å | ||
| 75 | S | 79.7 | Confident | 78.6 | Confident | 62 Ų | 62 | 38.1 Ų | 38.1 | 43% | 0.434 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.1 | -43.6 | -165.9 | 68.9 | 0 | 0 | 0 | 0 | 112 | E34 M73 C79 | E34-S75 PolarHBondContact OE1-OG 3.38Å; M73-S75 PolarHBondContact O-N 2.71Å; S75-C79 WeakPolarHBondContact O-CB 3.34Å; S75-C79 PolarHBondContact O-N 3.09Å |
| 76 | S | 80.1 | Confident | 79.3 | Confident | 47 Ų | 47 | 42.8 Ų | 42.8 | 33% | 0.329 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.5 | -48.4 | -179.9 | 179.2 | 0 | 0 | 0 | 0 | 111.6 | L74 S78 C79 Q80 Q118 | L74-S76 VanDerWaalsContact C-N 3.35Å; L74-S76 PolarHBondContact O-N 3.23Å; S76-S78 PolarHBondContact O-N 3.07Å; S76-C79 PolarHBondContact O-N 2.94Å; S76-Q80 WeakPolarHBondContact O-CB 3.49Å; S76-Q80 VanDerWaalsContact O-CG 3.26Å; S76-Q80 WeakPolarHBondContact O-CG 3.44Å; S76-Q80 PolarHBondContact O-N 2.94Å; S76-Q80 PolarHBondContact O-NE2 2.91Å; S76-Q80 PolarHBondContact OG-NE2 2.91Å; S76-Q118 PolarHBondContact OG-O 2.79Å |
| 77 | V | 84.6 | Confident | 79.6 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.7 | -48.6 | 176.9 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | L74 C79 Q80 L81 I104 F114 Q118 L545 | L74-V77 HydrophobicContact CB-CB 4.13Å; L74-V77 HydrophobicContact CB-CG2 4.3Å; L74-V77 PolarHBondContact O-N 3.44Å; V77-C79 PolarHBondContact O-N 3.02Å; V77-Q80 PolarHBondContact O-N 3.04Å; V77-L81 HydrophobicContact CG1-CD1 3.79Å; V77-L81 HydrophobicContact CG1-CG 4.27Å; V77-L81 WeakPolarHBondContact O-CB 3.14Å; V77-L81 VanDerWaalsContact O-CG 3.3Å; V77-L81 WeakPolarHBondContact O-CG 3.23Å; V77-L81 PolarHBondContact O-N 3.23Å; V77-I104 HydrophobicContact CG1-CD1 4.07Å; V77-F114 HydrophobicContact CB-CD1 4.43Å; V77-F114 HydrophobicContact CB-CE1 4.43Å; V77-F114 HydrophobicContact CG1-CD1 4.17Å; V77-F114 HydrophobicContact CG1-CD2 3.89Å; V77-F114 HydrophobicContact CG1-CE1 4.07Å; V77-F114 HydrophobicContact CG1-CE2 3.79Å; V77-F114 HydrophobicContact CG1-CG 4.09Å; V77-F114 HydrophobicContact CG1-CZ 3.89Å; V77-F114 HydrophobicContact CG2-CB 4.37Å; V77-F114 HydrophobicContact CG2-CD1 3.92Å; V77-F114 HydrophobicContact CG2-CE1 4.38Å; V77-F114 HydrophobicContact CG2-CG 4.09Å; V77-Q118 HydrophobicContact CG2-CB 3.61Å; V77-Q118 HydrophobicContact CG2-CG 3.85Å; V77-L545 HydrophobicContact CB-CD2 4.37Å; V77-L545 HydrophobicContact CG1-CD2 3.73Å |
| 78 | S | 86.2 | Confident | 79.3 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.8 | -41.8 | -178.8 | -60 | 0 | 0 | 0 | 0 | 112.2 | M73 L74 S76 K82 L545 | M73-S78 VanDerWaalsContact CE-CB 3.45Å; L74-S78 WeakPolarHBondContact O-CB 3.12Å; L74-S78 PolarHBondContact O-N 2.86Å; L74-S78 PolarHBondContact O-OG 3.31Å; S76-S78 PolarHBondContact O-N 3.07Å; S78-K82 WeakPolarHBondContact O-CB 3.22Å; S78-K82 WeakPolarHBondContact O-CG 3.45Å; S78-K82 PolarHBondContact O-N 3.46Å; S78-L545 PolarHBondContact OG-N 3.09Å; S78-L545 PolarHBondContact OG-O 2.84Å |
| 79 | C | 81.6 | Confident | 79.3 | Confident | 68 Ų | 68 | 52 Ų | 52 | 46% | 0.459 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.7 | -44.8 | 176.6 | -172.3 | 0 | 0 | 0 | 0 | 111.4 | S75 S76 V77 L81 K82 N83 | S75-C79 WeakPolarHBondContact O-CB 3.34Å; S75-C79 PolarHBondContact O-N 3.09Å; S76-C79 PolarHBondContact O-N 2.94Å; V77-C79 PolarHBondContact O-N 3.02Å; C79-L81 PolarHBondContact O-N 3.32Å; C79-K82 PolarHBondContact O-N 3.3Å; C79-N83 WeakPolarHBondContact O-CB 3.41Å; C79-N83 PolarHBondContact O-N 3.39Å; C79-N83 PolarHBondContact O-ND2 2.75Å |
| 80 | Q | 83.8 | Confident | 79.3 | Confident | 57 Ų | 57 | 52.4 Ų | 52.4 | 27% | 0.266 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 177.1 | -72.9 | 177.3 | 63 | 0 | 0 | 112 | S76 V77 A84 F114 Q118 L120 | S76-Q80 WeakPolarHBondContact O-CB 3.49Å; S76-Q80 VanDerWaalsContact O-CG 3.26Å; S76-Q80 WeakPolarHBondContact O-CG 3.44Å; S76-Q80 PolarHBondContact O-N 2.94Å; S76-Q80 PolarHBondContact O-NE2 2.91Å; S76-Q80 PolarHBondContact OG-NE2 2.91Å; V77-Q80 PolarHBondContact O-N 3.04Å; Q80-A84 VanDerWaalsContact O-CB 3.31Å; Q80-A84 WeakPolarHBondContact O-CB 3.33Å; Q80-A84 PolarHBondContact O-N 3.32Å; Q80-F114 HydrophobicContact CB-CE1 4.12Å; Q80-F114 HydrophobicContact CB-CZ 4.36Å; Q80-Q118 PolarHBondContact NE2-O 2.82Å; Q80-Q118 VanDerWaalsContact NE2-O 3.17Å; Q80-L120 VanDerWaalsContact OE1-CB 3.27Å |
| 81 | L | 83.1 | Confident | 79.5 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.5 | -45.1 | 175.8 | -71.2 | 169.7 | 0 | 0 | 0 | 112.4 | V77 C79 N83 A84 S85 P93 I104 F112 F114 | V77-L81 HydrophobicContact CG1-CD1 3.79Å; V77-L81 HydrophobicContact CG1-CG 4.27Å; V77-L81 WeakPolarHBondContact O-CB 3.14Å; V77-L81 VanDerWaalsContact O-CG 3.3Å; V77-L81 WeakPolarHBondContact O-CG 3.23Å; V77-L81 PolarHBondContact O-N 3.23Å; C79-L81 PolarHBondContact O-N 3.32Å; L81-N83 VanDerWaalsContact C-N 3.33Å; L81-N83 PolarHBondContact O-N 3.44Å; L81-A84 CarbonylContact O-C 3.42Å; L81-A84 PolarHBondContact O-N 2.9Å; L81-A84 VanDerWaalsContact O-N 3.12Å; L81-S85 WeakPolarHBondContact O-CB 3.41Å; L81-S85 PolarHBondContact O-N 3.35Å; L81-S85 PolarHBondContact O-OG 3.26Å; L81-P93 HydrophobicContact CB-CG 4.31Å; L81-P93 HydrophobicContact CD1-CG 4.28Å; L81-P93 HydrophobicContact CD2-CG 4.3Å; L81-I104 HydrophobicContact CD1-CD1 3.35Å; L81-I104 HydrophobicContact CD2-CD1 4.09Å; L81-I104 HydrophobicContact CD2-CG2 4.17Å; L81-I104 HydrophobicContact CG-CD1 4.23Å; L81-F112 HydrophobicContact CD2-CD2 4.15Å; L81-F112 HydrophobicContact CD2-CG 4.16Å; L81-F114 HydrophobicContact CD2-CE2 4.01Å; L81-F114 HydrophobicContact CD2-CZ 4.12Å; L81-F114 HydrophobicContact CG-CE2 4.28Å; L81-F114 HydrophobicContact CG-CZ 4.15Å |
| 82 | K | 81 | Confident | 79.7 | Confident | 100 Ų | 100 | 53 Ų | 53 | 44% | 0.435 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.8 | -48.3 | 175.3 | -80.4 | -175 | -179.1 | 178 | 0 | 110.5 | S78 C79 A84 S85 V86 T543 | S78-K82 WeakPolarHBondContact O-CB 3.22Å; S78-K82 WeakPolarHBondContact O-CG 3.45Å; S78-K82 PolarHBondContact O-N 3.46Å; C79-K82 PolarHBondContact O-N 3.3Å; K82-A84 VanDerWaalsContact C-N 3.26Å; K82-A84 PolarHBondContact O-N 3.18Å; K82-S85 WeakPolarHBondContact CA-OG 3.5Å; K82-S85 PolarHBondContact O-N 3.36Å; K82-S85 PolarHBondContact O-OG 2.83Å; K82-V86 WeakPolarHBondContact O-CG2 3.48Å; K82-V86 PolarHBondContact O-N 2.97Å; K82-T543 WeakPolarHBondContact CE-O 3.07Å; K82-T543 PolarHBondContact NZ-O 3.48Å |
| 83 | N | 79.5 | Confident | 80.1 | Confident | 105 Ų | 105 | 53.3 Ų | 53.3 | 56% | 0.561 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -61.4 | -34.1 | 176.7 | -69.4 | -22.1 | 0 | 0 | 0 | 112.9 | C79 L81 | C79-N83 WeakPolarHBondContact O-CB 3.41Å; C79-N83 PolarHBondContact O-N 3.39Å; C79-N83 PolarHBondContact O-ND2 2.75Å; L81-N83 VanDerWaalsContact C-N 3.33Å; L81-N83 PolarHBondContact O-N 3.44Å |
| 84 | A | 75.6 | Confident | 80.3 | Confident | 14 Ų | 14 | 51 Ų | 51 | 12% | 0.116 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -74.3 | -40.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q80 L81 K82 V86 K87 V90 F112 | Q80-A84 VanDerWaalsContact O-CB 3.31Å; Q80-A84 WeakPolarHBondContact O-CB 3.33Å; Q80-A84 PolarHBondContact O-N 3.32Å; L81-A84 CarbonylContact O-C 3.42Å; L81-A84 PolarHBondContact O-N 2.9Å; L81-A84 VanDerWaalsContact O-N 3.12Å; K82-A84 VanDerWaalsContact C-N 3.26Å; K82-A84 PolarHBondContact O-N 3.18Å; A84-V86 VanDerWaalsContact C-N 3.27Å; A84-V86 PolarHBondContact O-N 3.2Å; A84-K87 VanDerWaalsContact O-CB 3.24Å; A84-K87 WeakPolarHBondContact O-CB 3.37Å; A84-K87 PolarHBondContact O-N 3.33Å; A84-V90 HydrophobicContact CB-CG1 4.16Å; A84-V90 WeakPolarHBondContact O-CB 3.46Å; A84-F112 HydrophobicContact CB-CE1 4.05Å; A84-F112 HydrophobicContact CB-CZ 3.8Å |
| 85 | S | 69.6 | Low | 80.6 | Confident | 32 Ų | 32 | 50.9 Ų | 50.9 | 22% | 0.224 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63 | -30.7 | -179.5 | 65 | 0 | 0 | 0 | 0 | 113.3 | L81 K82 K87 G91 | L81-S85 WeakPolarHBondContact O-CB 3.41Å; L81-S85 PolarHBondContact O-N 3.35Å; L81-S85 PolarHBondContact O-OG 3.26Å; K82-S85 WeakPolarHBondContact CA-OG 3.5Å; K82-S85 PolarHBondContact O-N 3.36Å; K82-S85 PolarHBondContact O-OG 2.83Å; S85-K87 PolarHBondContact O-N 3.26Å; S85-G91 WeakPolarHBondContact CA-O 3.48Å |
| 86 | V | 69.6 | Low | 81.3 | Confident | 123 Ų | 123 | 48.2 Ų | 48.2 | 75% | 0.745 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -24.4 | 172.7 | 176 | 0 | 0 | 0 | 0 | 111.7 | K82 A84 S88 | K82-V86 WeakPolarHBondContact O-CG2 3.48Å; K82-V86 PolarHBondContact O-N 2.97Å; A84-V86 VanDerWaalsContact C-N 3.27Å; A84-V86 PolarHBondContact O-N 3.2Å; V86-S88 PolarHBondContact O-N 2.64Å |
| 87 | K | 71.4 | Confident | 81.9 | Confident | 113 Ų | 113 | 46.5 Ų | 46.5 | 49% | 0.491 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -75.4 | 118.6 | 173.9 | -57.6 | -178.7 | -179.1 | 179.6 | 0 | 109 | A84 S85 H89 V90 | A84-K87 VanDerWaalsContact O-CB 3.24Å; A84-K87 WeakPolarHBondContact O-CB 3.37Å; A84-K87 PolarHBondContact O-N 3.33Å; S85-K87 PolarHBondContact O-N 3.26Å; K87-H89 PolarHBondContact O-N 2.86Å; K87-V90 HydrophobicContact CB-CG2 4.14Å; K87-V90 PolarHBondContact O-N 2.85Å |
| 88 | S | 66.6 | Low | 82 | Confident | 79 Ų | 79 | 47 Ų | 47 | 55% | 0.552 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -12.4 | -174.8 | 59.7 | 0 | 0 | 0 | 0 | 115.5 | V86 K108 | V86-S88 PolarHBondContact O-N 2.64Å; S88-K108 WeakPolarHBondContact O-CE 3.45Å; S88-K108 PolarHBondContact O-NZ 3.09Å |
| 89 | H | 77.7 | Confident | 82 | Confident | 139 Ų | 139 | 49.1 Ų | 49.1 | 64% | 0.644 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -15.5 | -176.1 | -53.8 | 60.1 | 0 | 0 | 0 | 112.9 | K87 | K87-H89 PolarHBondContact O-N 2.86Š|
| 90 | V | 80.7 | Confident | 81.9 | Confident | 13 Ų | 13 | 50.1 Ų | 50.1 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -39.7 | -174.3 | 174.1 | 0 | 0 | 0 | 0 | 111.7 | A84 K87 T106 V110 F112 | A84-V90 HydrophobicContact CB-CG1 4.16Å; A84-V90 WeakPolarHBondContact O-CB 3.46Å; K87-V90 HydrophobicContact CB-CG2 4.14Å; K87-V90 PolarHBondContact O-N 2.85Å; V90-T106 HydrophobicContact CG1-CG2 4.23Å; V90-T106 WeakPolarHBondContact O-CB 3.48Å; V90-T106 PolarHBondContact O-OG1 2.83Å; V90-V110 HydrophobicContact CG1-CG1 4.46Å; V90-F112 HydrophobicContact CG1-CE2 3.48Å; V90-F112 VanDerWaalsContact CG1-CE2 3.48Å; V90-F112 HydrophobicContact CG1-CZ 3.39Å |
| 91 | G | 84.9 | Confident | 82.1 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | trans | 75.7 | -177.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S85 N107 | S85-G91 WeakPolarHBondContact CA-O 3.48Å; G91-N107 WeakPolarHBondContact CA-OD1 3.49Å | ||
| 92 | D | 86.9 | Confident | 82.4 | Confident | 63 Ų | 63 | 47.1 Ų | 47.1 | 34% | 0.337 | 25% | 0.249 | S | C | . | . | trans | -88.5 | 149.1 | -178.2 | -64.2 | -25.7 | 0 | 0 | 0 | 111.6 | S94 T106 N107 R503 | D92-S94 PolarHBondContact O-N 3.37Å; D92-T106 CarbonylContact O-C 3.5Å; D92-T106 WeakPolarHBondContact O-CA 3.49Å; D92-T106 VanDerWaalsContact O-CB 3.28Å; D92-T106 WeakPolarHBondContact O-CB 3.23Å; D92-N107 PolarHBondContact N-OD1 3.06Å; D92-N107 PolarHBondContact O-N 2.97Å; D92-R503 IonicContact OD2-NH1 3.77Å; D92-R503 IonicContact OD2-NH2 2.76Å; D92-R503 PolarHBondContact OD2-NH2 2.93Å | ||
| 93 | P | 90.4 | Very high | 83 | Confident | 18 Ų | 18 | 42.3 Ų | 42.3 | 12% | 0.117 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.7 | 130.9 | 167.2 | -25 | 35.1 | 0 | 0 | 0 | 111.1 | L81 I104 R503 L540 | L81-P93 HydrophobicContact CB-CG 4.31Å; L81-P93 HydrophobicContact CD1-CG 4.28Å; L81-P93 HydrophobicContact CD2-CG 4.3Å; P93-I104 HydrophobicContact CB-CG2 3.82Å; P93-I104 HydrophobicContact CG-CG2 4.39Å; P93-R503 WeakPolarHBondContact O-CD 3.5Å; P93-R503 PolarHBondContact O-NE 3.33Å; P93-L540 HydrophobicContact CB-CD1 3.95Å; P93-L540 HydrophobicContact CB-CD2 4.16Å |
| 94 | S | 88.7 | Confident | 83.7 | Confident | 14 Ų | 14 | 37.3 Ų | 37.3 | 10% | 0.098 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | -39 | -175.9 | 59.7 | 0 | 0 | 0 | 0 | 112.1 | D92 G105 T106 I144 H505 | D92-S94 PolarHBondContact O-N 3.37Å; S94-G105 WeakPolarHBondContact CA-O 3.04Å; S94-G105 PolarHBondContact N-O 3.37Å; S94-G105 VanDerWaalsContact OG-C 3.25Å; S94-G105 PolarHBondContact OG-O 2.82Å; S94-T106 WeakPolarHBondContact OG-CA 3.45Å; S94-T106 PolarHBondContact OG-O 2.93Å; S94-I144 PolarHBondContact OG-O 3.07Å; S94-H505 PolarHBondContact O-CD2 2.95Å; S94-H505 PolarHBondContact O-NE2 2.72Å |
| 95 | C | 91.5 | Very high | 84.5 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 153.9 | 178.4 | 51.1 | 0 | 0 | 0 | 0 | 110.4 | I104 G105 H528 | C95-I104 WeakPolarHBondContact O-CA 3.38Å; C95-G105 PolarHBondContact N-O 2.91Å; C95-G105 PolarHBondContact O-N 2.93Å; C95-H528 HydrophobicContact CB-CB 3.88Å |
| 96 | V | 93.3 | Very high | 85.6 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.03 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 148.8 | 179.2 | 66.4 | 0 | 0 | 0 | 0 | 111.1 | V102 A103 I104 H528 T531 L538 L540 L545 | V96-V102 HydrophobicContact CG2-CG1 4.29Å; V96-A103 CarbonylContact C-O 3.55Å; V96-A103 WeakPolarHBondContact CA-O 3.27Å; V96-I104 HydrophobicContact CG2-CG1 4.12Å; V96-H528 PolarHBondContact N-O 3.07Å; V96-H528 VanDerWaalsContact N-O 3.11Å; V96-T531 HydrophobicContact CG1-CG2 4.05Å; V96-T531 WeakPolarHBondContact O-CG2 2.88Å; V96-L538 HydrophobicContact CG2-CD2 3.64Å; V96-L540 HydrophobicContact CB-CB 4.5Å; V96-L540 HydrophobicContact CG1-CB 4.07Å; V96-L545 HydrophobicContact CG2-CD1 4.28Å |
| 97 | S | 92.2 | Very high | 86.5 | Confident | 12 Ų | 12 | 32 Ų | 32 | 8% | 0.084 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 129.6 | 168.3 | 178.7 | 0 | 0 | 0 | 0 | 109.6 | A103 Q149 | S97-A103 PolarHBondContact N-O 2.82Å; S97-A103 PolarHBondContact O-N 3.36Å; S97-Q149 PolarHBondContact O-NE2 2.86Å; S97-Q149 VanDerWaalsContact O-NE2 3.13Å; S97-Q149 WeakPolarHBondContact OG-CG 3.37Å; S97-Q149 PolarHBondContact OG-NE2 3.28Å |
| 98 | F | 88.3 | Confident | 87.3 | Confident | 12 Ų | 12 | 31.3 Ų | 31.3 | 5% | 0.053 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 121 | -176.4 | 179.4 | -129.6 | 0 | 0 | 0 | 110.9 | V102 L116 T531 Q536 L538 | F98-V102 HydrophobicContact CD2-CG2 3.85Å; F98-V102 HydrophobicContact CE2-CG2 4.25Å; F98-L116 HydrophobicContact CE2-CD2 4.05Å; F98-T531 WeakPolarHBondContact CB-OG1 3.21Å; F98-Q536 HydrophobicContact CE1-CB 3.97Å; F98-Q536 HydrophobicContact CZ-CB 4.49Å; F98-L538 HydrophobicContact CB-CB 4.16Å; F98-L538 HydrophobicContact CB-CD2 3.78Å; F98-L538 HydrophobicContact CD1-CB 4.02Å; F98-L538 HydrophobicContact CD2-CD2 4.22Å; F98-L538 HydrophobicContact CG-CB 4.12Å; F98-L538 HydrophobicContact CG-CD2 4Å |
| 99 | R | 84.4 | Confident | 88.3 | Confident | 46 Ų | 46 | 27.5 Ų | 27.5 | 17% | 0.174 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -158.3 | -95.9 | 172.4 | -155.4 | 177.2 | -169.4 | 144.6 | 8.2 | 110.4 | Y101 Q149 L313 Y533 | R99-Y101 PolarHBondContact N-O 2.78Å; R99-Q149 HydrophobicContact CB-CB 4.48Å; R99-L313 PolarHBondContact NH2-O 2.78Å; R99-Y533 HydrophobicContact CB-CD2 4.46Å; R99-Y533 HydrophobicContact CG-CD2 3.57Å; R99-Y533 HydrophobicContact CG-CE1 4.43Å; R99-Y533 HydrophobicContact CG-CE2 3.44Å; R99-Y533 VanDerWaalsContact CG-CE2 3.44Å; R99-Y533 HydrophobicContact CG-CG 4.12Å |
| 100 | K | 81.4 | Confident | 88.9 | Confident | 88 Ų | 88 | 20.9 Ų | 20.9 | 38% | 0.383 | 11% | 0.105 | S | C | . | . | S | Bend | trans | -80.5 | -21.9 | 175.1 | -73.3 | -140.3 | 178.2 | 179.4 | 0 | 113.6 | N152 | K100-N152 VanDerWaalsContact CD-O 3.26Å; K100-N152 WeakPolarHBondContact CD-O 3.47Å; K100-N152 VanDerWaalsContact CE-O 3.23Å; K100-N152 WeakPolarHBondContact CE-O 3.29Å; K100-N152 PolarHBondContact NZ-O 3.34Å |
| 101 | Y | 87.1 | Confident | 89.4 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -150.6 | 166.2 | 176.6 | 50.8 | -95.5 | 0 | 0 | 0 | 108.5 | R99 A103 I113 F114 Q149 G153 I170 L175 | R99-Y101 PolarHBondContact N-O 2.78Å; Y101-A103 HydrophobicContact CD2-CB 4.05Å; Y101-A103 HydrophobicContact CE2-CB 3.89Å; Y101-I113 HydrophobicContact CD2-CG1 4.5Å; Y101-I113 HydrophobicContact CD2-CG2 3.6Å; Y101-I113 HydrophobicContact CE2-CD1 4.11Å; Y101-I113 HydrophobicContact CE2-CG1 4.39Å; Y101-I113 HydrophobicContact CE2-CG2 4.14Å; Y101-I113 HydrophobicContact CG-CG2 3.94Å; Y101-F114 VanDerWaalsContact CB-O 3.27Å; Y101-F114 WeakPolarHBondContact CB-O 3.27Å; Y101-Q149 VanDerWaalsContact CE2-CD 3.5Å; Y101-Q149 HydrophobicContact CE2-CG 3.99Å; Y101-Q149 PolarHBondContact O-NE2 3.37Å; Y101-G153 VanDerWaalsContact CE1-O 3.29Å; Y101-G153 WeakPolarHBondContact CE1-O 3.41Å; Y101-I170 HydrophobicContact CE1-CB 4.44Å; Y101-I170 HydrophobicContact CE1-CG2 4.17Å; Y101-I170 WeakPolarHBondContact OH-CG1 3.43Å; Y101-L175 HydrophobicContact CD1-CD1 3.62Å; Y101-L175 HydrophobicContact CD1-CD2 3.62Å; Y101-L175 HydrophobicContact CD1-CG 4.29Å; Y101-L175 HydrophobicContact CE1-CD1 3.87Å; Y101-L175 HydrophobicContact CE1-CD2 4.39Å; Y101-L175 HydrophobicContact CG-CD2 3.98Å |
| 102 | V | 90.3 | Very high | 89.7 | Confident | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.024 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 112.9 | 174.9 | 177.6 | 0 | 0 | 0 | 0 | 107.8 | V96 F98 I104 F114 L538 L545 | V96-V102 HydrophobicContact CG2-CG1 4.29Å; F98-V102 HydrophobicContact CD2-CG2 3.85Å; F98-V102 HydrophobicContact CE2-CG2 4.25Å; V102-I104 HydrophobicContact CG1-CD1 4.01Å; V102-I104 HydrophobicContact CG1-CG1 4.03Å; V102-F114 HydrophobicContact CB-CB 4.27Å; V102-F114 PolarHBondContact N-O 3.28Å; V102-F114 PolarHBondContact O-N 3.17Å; V102-L538 HydrophobicContact CG1-CD2 4.03Å; V102-L538 HydrophobicContact CG2-CD2 4.24Å; V102-L545 HydrophobicContact CG1-CD2 3.86Å |
| 103 | A | 92.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 134 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | V96 S97 Y101 F112 L147 L156 | V96-A103 CarbonylContact C-O 3.55Å; V96-A103 WeakPolarHBondContact CA-O 3.27Å; S97-A103 PolarHBondContact N-O 2.82Å; S97-A103 PolarHBondContact O-N 3.36Å; Y101-A103 HydrophobicContact CD2-CB 4.05Å; Y101-A103 HydrophobicContact CE2-CB 3.89Å; A103-F112 CarbonylContact C-O 3.59Å; A103-F112 VanDerWaalsContact CA-O 3.31Å; A103-F112 WeakPolarHBondContact CA-O 3.29Å; A103-L147 HydrophobicContact CB-CD1 4.01Å; A103-L156 HydrophobicContact CB-CD1 4.18Å; A103-L156 HydrophobicContact CB-CD2 4.48Å |
| 104 | I | 93.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 125.4 | -175.8 | -59.3 | 176.6 | 0 | 0 | 0 | 109.1 | V77 L81 P93 C95 V96 V102 I111 F112 F114 L545 | V77-I104 HydrophobicContact CG1-CD1 4.07Å; L81-I104 HydrophobicContact CD1-CD1 3.35Å; L81-I104 HydrophobicContact CD2-CD1 4.09Å; L81-I104 HydrophobicContact CD2-CG2 4.17Å; L81-I104 HydrophobicContact CG-CD1 4.23Å; P93-I104 HydrophobicContact CB-CG2 3.82Å; P93-I104 HydrophobicContact CG-CG2 4.39Å; C95-I104 WeakPolarHBondContact O-CA 3.38Å; V96-I104 HydrophobicContact CG2-CG1 4.12Å; V102-I104 HydrophobicContact CG1-CD1 4.01Å; V102-I104 HydrophobicContact CG1-CG1 4.03Å; I104-I111 CarbonylContact O-C 3.59Å; I104-I111 WeakPolarHBondContact O-CA 3.47Å; I104-F112 HydrophobicContact CB-CB 4.34Å; I104-F112 PolarHBondContact N-O 3.49Å; I104-F112 PolarHBondContact O-N 3.28Å; I104-F114 HydrophobicContact CD1-CD2 4.28Å; I104-F114 HydrophobicContact CD1-CE2 4.07Å; I104-L545 HydrophobicContact CD1-CD2 4.13Å |
| 105 | G | 92.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 144.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | S94 C95 V110 L147 | S94-G105 WeakPolarHBondContact CA-O 3.04Å; S94-G105 PolarHBondContact N-O 3.37Å; S94-G105 VanDerWaalsContact OG-C 3.25Å; S94-G105 PolarHBondContact OG-O 2.82Å; C95-G105 PolarHBondContact N-O 2.91Å; C95-G105 PolarHBondContact O-N 2.93Å; G105-V110 CarbonylContact C-O 3.6Å; G105-V110 WeakPolarHBondContact CA-O 3.41Å; G105-L147 VanDerWaalsContact N-CD1 3.26Å |
| 106 | T | 92 | Very high | 89.1 | Confident | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.006 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 162.6 | -179.2 | 73.3 | 0 | 0 | 0 | 0 | 113.7 | V90 D92 S94 K108 G109 V110 F112 I144 | V90-T106 HydrophobicContact CG1-CG2 4.23Å; V90-T106 WeakPolarHBondContact O-CB 3.48Å; V90-T106 PolarHBondContact O-OG1 2.83Å; D92-T106 CarbonylContact O-C 3.5Å; D92-T106 WeakPolarHBondContact O-CA 3.49Å; D92-T106 VanDerWaalsContact O-CB 3.28Å; D92-T106 WeakPolarHBondContact O-CB 3.23Å; S94-T106 WeakPolarHBondContact OG-CA 3.45Å; S94-T106 PolarHBondContact OG-O 2.93Å; T106-K108 PolarHBondContact O-N 3.35Å; T106-K108 VanDerWaalsContact O-N 3.11Å; T106-K108 PolarHBondContact OG1-N 3.14Å; T106-G109 PolarHBondContact O-N 3.35Å; T106-G109 VanDerWaalsContact O-N 3.16Å; T106-V110 HydrophobicContact CG2-CB 4.22Å; T106-V110 PolarHBondContact N-O 3.37Å; T106-V110 WeakPolarHBondContact OG1-CB 3.37Å; T106-V110 PolarHBondContact OG1-N 2.85Å; T106-V110 PolarHBondContact OG1-O 2.77Å; T106-F112 HydrophobicContact CG2-CD2 4.08Å; T106-F112 HydrophobicContact CG2-CE2 3.75Å; T106-I144 PolarHBondContact O-N 3.08Å; T106-I144 VanDerWaalsContact O-N 3.11Å |
| 107 | N | 88.6 | Confident | 88.3 | Confident | 56 Ų | 56 | 20 Ų | 20 | 30% | 0.299 | 9% | 0.092 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -5.3 | 173.7 | 68.8 | -6.6 | 0 | 0 | 0 | 114.3 | G91 D92 P143 | G91-N107 WeakPolarHBondContact CA-OD1 3.49Å; D92-N107 PolarHBondContact N-OD1 3.06Å; D92-N107 PolarHBondContact O-N 2.97Å; N107-P143 HydrophobicContact CB-CB 4.38Å; N107-P143 HydrophobicContact CB-CG 4.41Å; N107-P143 WeakPolarHBondContact O-CA 3.43Å; N107-P143 WeakPolarHBondContact O-CG 3.39Å |
| 108 | K | 88.1 | Confident | 87.9 | Confident | 98 Ų | 98 | 20 Ų | 20 | 43% | 0.426 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 15.3 | 173 | -64.2 | -166.3 | 177.8 | -162.1 | 0 | 114.2 | S88 T106 N126 | S88-K108 WeakPolarHBondContact O-CE 3.45Å; S88-K108 PolarHBondContact O-NZ 3.09Å; T106-K108 PolarHBondContact O-N 3.35Å; T106-K108 VanDerWaalsContact O-N 3.11Å; T106-K108 PolarHBondContact OG1-N 3.14Å; K108-N126 PolarHBondContact O-ND2 2.81Å |
| 109 | G | 88.5 | Confident | 87.5 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | 81.4 | 23.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | T106 N126 | T106-G109 PolarHBondContact O-N 3.35Å; T106-G109 VanDerWaalsContact O-N 3.16Å; G109-N126 PolarHBondContact O-N 3.47Å |
| 110 | V | 89.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 140.5 | 176.8 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | V90 G105 T106 F112 I127 I144 | V90-V110 HydrophobicContact CG1-CG1 4.46Å; G105-V110 CarbonylContact C-O 3.6Å; G105-V110 WeakPolarHBondContact CA-O 3.41Å; T106-V110 HydrophobicContact CG2-CB 4.22Å; T106-V110 PolarHBondContact N-O 3.37Å; T106-V110 WeakPolarHBondContact OG1-CB 3.37Å; T106-V110 PolarHBondContact OG1-N 2.85Å; T106-V110 PolarHBondContact OG1-O 2.77Å; V110-F112 HydrophobicContact CB-CE2 4.38Å; V110-F112 HydrophobicContact CG1-CD2 4.3Å; V110-F112 HydrophobicContact CG1-CE2 3.73Å; V110-F112 HydrophobicContact CG1-CZ 4.09Å; V110-I127 HydrophobicContact CG1-CD1 3.88Å; V110-I127 HydrophobicContact CG1-CG1 4.1Å; V110-I127 HydrophobicContact CG2-CG1 4.31Å; V110-I127 HydrophobicContact CG2-CG2 3.8Å; V110-I144 WeakPolarHBondContact O-CD1 3.31Å |
| 111 | I | 91.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125.9 | 179.6 | -56.5 | 159.6 | 0 | 0 | 0 | 108.7 | I104 I113 C123 F124 I144 L156 T158 W168 | I104-I111 CarbonylContact O-C 3.59Å; I104-I111 WeakPolarHBondContact O-CA 3.47Å; I111-I113 HydrophobicContact CG2-CG1 4.3Å; I111-C123 VanDerWaalsContact O-CA 3.31Å; I111-C123 WeakPolarHBondContact O-CA 3.27Å; I111-F124 HydrophobicContact CB-CD2 4.45Å; I111-F124 HydrophobicContact CB-CE1 4.38Å; I111-F124 HydrophobicContact CB-CE2 4.16Å; I111-F124 HydrophobicContact CB-CZ 4.12Å; I111-F124 HydrophobicContact CD1-CD2 4.02Å; I111-F124 HydrophobicContact CD1-CE2 3.51Å; I111-F124 HydrophobicContact CD1-CZ 4.12Å; I111-F124 HydrophobicContact CG1-CE2 4.44Å; I111-F124 HydrophobicContact CG2-CE1 4.16Å; I111-F124 HydrophobicContact CG2-CE2 4.34Å; I111-F124 HydrophobicContact CG2-CZ 3.86Å; I111-F124 PolarHBondContact N-O 3.47Å; I111-F124 PolarHBondContact O-N 3.18Å; I111-F124 VanDerWaalsContact O-N 3.09Å; I111-I144 HydrophobicContact CD1-CD1 4.24Å; I111-I144 HydrophobicContact CG1-CD1 3.39Å; I111-L156 HydrophobicContact CG2-CD2 3.96Å; I111-T158 HydrophobicContact CD1-CG2 3.42Å; I111-T158 VanDerWaalsContact CD1-CG2 3.42Å; I111-T158 HydrophobicContact CG1-CG2 4.14Å; I111-W168 HydrophobicContact CD1-CZ2 4.2Å |
| 112 | F | 91.4 | Very high | 87.7 | Confident | 8 Ų | 8 | 21.9 Ų | 21.9 | 4% | 0.035 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 136 | 170 | -66.2 | -95 | 0 | 0 | 0 | 109.9 | L81 A84 V90 A103 I104 T106 V110 F114 L120 C123 | L81-F112 HydrophobicContact CD2-CD2 4.15Å; L81-F112 HydrophobicContact CD2-CG 4.16Å; A84-F112 HydrophobicContact CB-CE1 4.05Å; A84-F112 HydrophobicContact CB-CZ 3.8Å; V90-F112 HydrophobicContact CG1-CE2 3.48Å; V90-F112 VanDerWaalsContact CG1-CE2 3.48Å; V90-F112 HydrophobicContact CG1-CZ 3.39Å; A103-F112 CarbonylContact C-O 3.59Å; A103-F112 VanDerWaalsContact CA-O 3.31Å; A103-F112 WeakPolarHBondContact CA-O 3.29Å; I104-F112 HydrophobicContact CB-CB 4.34Å; I104-F112 PolarHBondContact N-O 3.49Å; I104-F112 PolarHBondContact O-N 3.28Å; T106-F112 HydrophobicContact CG2-CD2 4.08Å; T106-F112 HydrophobicContact CG2-CE2 3.75Å; V110-F112 HydrophobicContact CB-CE2 4.38Å; V110-F112 HydrophobicContact CG1-CD2 4.3Å; V110-F112 HydrophobicContact CG1-CE2 3.73Å; V110-F112 HydrophobicContact CG1-CZ 4.09Å; F112-F114 HydrophobicContact CB-CD2 4.25Å; F112-F114 HydrophobicContact CB-CE2 3.6Å; F112-F114 HydrophobicContact CB-CZ 4.34Å; F112-F114 HydrophobicContact CD1-CE2 4.48Å; F112-F114 HydrophobicContact CD1-CZ 4.42Å; F112-F114 HydrophobicContact CG-CE2 4.32Å; F112-L120 HydrophobicContact CB-CD1 4.08Å; F112-L120 HydrophobicContact CD1-CD1 3.68Å; F112-L120 HydrophobicContact CD1-CD2 4.03Å; F112-L120 HydrophobicContact CE1-CD2 4.28Å; F112-L120 HydrophobicContact CG-CD1 4.39Å; F112-C123 HydrophobicContact CD1-CB 4.36Å; F112-C123 HydrophobicContact CE1-CB 4.36Å; F112-C123 WeakPolarHBondContact CE1-SG 3.26Å |
| 113 | I | 90.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 113.9 | 171.8 | -61.5 | -175.3 | 0 | 0 | 0 | 108.7 | Y101 I111 R121 L122 F124 L156 I170 L175 | Y101-I113 HydrophobicContact CD2-CG1 4.5Å; Y101-I113 HydrophobicContact CD2-CG2 3.6Å; Y101-I113 HydrophobicContact CE2-CD1 4.11Å; Y101-I113 HydrophobicContact CE2-CG1 4.39Å; Y101-I113 HydrophobicContact CE2-CG2 4.14Å; Y101-I113 HydrophobicContact CG-CG2 3.94Å; I111-I113 HydrophobicContact CG2-CG1 4.3Å; I113-R121 PolarHBondContact O-N 3.12Å; I113-L122 HydrophobicContact CB-CB 4.03Å; I113-L122 HydrophobicContact CD1-CB 4.44Å; I113-L122 HydrophobicContact CD1-CD1 3.98Å; I113-L122 HydrophobicContact CG1-CB 4.4Å; I113-L122 PolarHBondContact N-O 3.4Å; I113-L122 PolarHBondContact O-N 3.15Å; I113-F124 HydrophobicContact CD1-CE1 3.73Å; I113-F124 HydrophobicContact CD1-CZ 4Å; I113-F124 HydrophobicContact CG1-CE1 4.16Å; I113-L156 HydrophobicContact CD1-CD2 4.06Å; I113-I170 HydrophobicContact CD1-CD1 3.45Å; I113-I170 VanDerWaalsContact CD1-CD1 3.45Å; I113-I170 HydrophobicContact CD1-CG1 3.94Å; I113-I170 HydrophobicContact CD1-CG2 4.33Å; I113-L175 HydrophobicContact CG2-CD2 4.38Å |
| 114 | F | 88.9 | Confident | 87.2 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 0% | 0.004 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 136.9 | 172 | -60.6 | -96 | 0 | 0 | 0 | 109.2 | V77 Q80 L81 Y101 V102 I104 F112 V119 L120 | V77-F114 HydrophobicContact CB-CD1 4.43Å; V77-F114 HydrophobicContact CB-CE1 4.43Å; V77-F114 HydrophobicContact CG1-CD1 4.17Å; V77-F114 HydrophobicContact CG1-CD2 3.89Å; V77-F114 HydrophobicContact CG1-CE1 4.07Å; V77-F114 HydrophobicContact CG1-CE2 3.79Å; V77-F114 HydrophobicContact CG1-CG 4.09Å; V77-F114 HydrophobicContact CG1-CZ 3.89Å; V77-F114 HydrophobicContact CG2-CB 4.37Å; V77-F114 HydrophobicContact CG2-CD1 3.92Å; V77-F114 HydrophobicContact CG2-CE1 4.38Å; V77-F114 HydrophobicContact CG2-CG 4.09Å; Q80-F114 HydrophobicContact CB-CE1 4.12Å; Q80-F114 HydrophobicContact CB-CZ 4.36Å; L81-F114 HydrophobicContact CD2-CE2 4.01Å; L81-F114 HydrophobicContact CD2-CZ 4.12Å; L81-F114 HydrophobicContact CG-CE2 4.28Å; L81-F114 HydrophobicContact CG-CZ 4.15Å; Y101-F114 VanDerWaalsContact CB-O 3.27Å; Y101-F114 WeakPolarHBondContact CB-O 3.27Å; V102-F114 HydrophobicContact CB-CB 4.27Å; V102-F114 PolarHBondContact N-O 3.28Å; V102-F114 PolarHBondContact O-N 3.17Å; I104-F114 HydrophobicContact CD1-CD2 4.28Å; I104-F114 HydrophobicContact CD1-CE2 4.07Å; F112-F114 HydrophobicContact CB-CD2 4.25Å; F112-F114 HydrophobicContact CB-CE2 3.6Å; F112-F114 HydrophobicContact CB-CZ 4.34Å; F112-F114 HydrophobicContact CD1-CE2 4.48Å; F112-F114 HydrophobicContact CD1-CZ 4.42Å; F112-F114 HydrophobicContact CG-CE2 4.32Å; F114-V119 WeakPolarHBondContact CA-O 3.33Å; F114-L120 HydrophobicContact CD1-CB 3.93Å; F114-L120 HydrophobicContact CD1-CD1 4.3Å; F114-L120 HydrophobicContact CD2-CD1 4.45Å; F114-L120 HydrophobicContact CE1-CB 3.69Å; F114-L120 HydrophobicContact CE1-CD1 4.01Å; F114-L120 HydrophobicContact CE1-CG 4.38Å; F114-L120 HydrophobicContact CE2-CD1 4.17Å; F114-L120 HydrophobicContact CZ-CB 4.39Å; F114-L120 HydrophobicContact CZ-CD1 3.94Å |
| 115 | N | 84.7 | Confident | 86.7 | Confident | 7 Ų | 7 | 22.6 Ų | 22.6 | 4% | 0.037 | 11% | 0.111 | C | C | . | . | trans | -71 | 173.5 | 165.1 | 71.6 | -3.7 | 0 | 0 | 0 | 110.2 | H117 Q118 V119 R121 | N115-H117 PolarHBondContact O-N 2.78Å; N115-H117 WeakPolarHBondContact OD1-CB 3.36Å; N115-H117 PolarHBondContact OD1-N 2.89Å; N115-Q118 PolarHBondContact O-N 2.62Å; N115-Q118 PolarHBondContact OD1-N 2.94Å; N115-V119 PolarHBondContact N-O 2.95Å; N115-V119 WeakPolarHBondContact OD1-CA 3.43Å; N115-V119 WeakPolarHBondContact OD1-CB 3.43Å; N115-V119 PolarHBondContact OD1-N 3.18Å; N115-V119 PolarHBondContact OD1-O 2.75Å; N115-R121 HydrophobicContact CB-CG 4.02Å; N115-R121 PolarHBondContact ND2-NE 3.24Å; N115-R121 PolarHBondContact ND2-NH2 2.85Å | ||
| 116 | L | 80.1 | Confident | 86.1 | Confident | 12 Ų | 12 | 25.3 Ų | 25.3 | 6% | 0.063 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -20.2 | 178.9 | -65.8 | -178 | 0 | 0 | 0 | 113.2 | I37 L38 N41 F98 Q118 | I37-L116 HydrophobicContact CG2-CB 3.81Å; I37-L116 HydrophobicContact CG2-CD2 3.74Å; I37-L116 HydrophobicContact CG2-CG 4.3Å; I37-L116 WeakPolarHBondContact CG2-O 3.16Å; I37-L116 WeakPolarHBondContact O-CB 3.14Å; I37-L116 WeakPolarHBondContact O-CD1 3.48Å; L38-L116 HydrophobicContact CD2-CB 4.14Å; N41-L116 WeakPolarHBondContact ND2-CD1 3.33Å; F98-L116 HydrophobicContact CE2-CD2 4.05Å; L116-Q118 PolarHBondContact O-N 2.85Å |
| 117 | H | 77.6 | Confident | 85.5 | Confident | 76 Ų | 76 | 28.5 Ų | 28.5 | 35% | 0.352 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 14.4 | 170.8 | -62.7 | -94.6 | 0 | 0 | 0 | 113.9 | L38 N115 V119 E177 | L38-H117 WeakPolarHBondContact CD1-CE1 3.48Å; L38-H117 WeakPolarHBondContact CD1-ND1 3.22Å; L38-H117 HydrophobicContact CD2-CB 4.05Å; L38-H117 VanDerWaalsContact CD2-CD2 3.45Å; L38-H117 WeakPolarHBondContact CD2-CD2 3.36Å; L38-H117 WeakPolarHBondContact CD2-CE1 3.39Å; L38-H117 WeakPolarHBondContact CD2-ND1 3.2Å; L38-H117 WeakPolarHBondContact CD2-NE2 3.42Å; N115-H117 PolarHBondContact O-N 2.78Å; N115-H117 WeakPolarHBondContact OD1-CB 3.36Å; N115-H117 PolarHBondContact OD1-N 2.89Å; H117-V119 HydrophobicContact CB-CG2 4.18Å; H117-V119 PolarHBondContact O-N 2.83Å; H117-V119 VanDerWaalsContact O-N 3.07Å; H117-E177 IonicContact CD2-OE1 2.86Å; H117-E177 IonicContact CE1-OE1 3.91Å; H117-E177 IonicContact NE2-OE1 3.26Å; H117-E177 PolarHBondContact NE2-OE1 3.26Å |
| 118 | Q | 83.6 | Confident | 85 | Confident | 11 Ų | 11 | 26.2 Ų | 26.2 | 5% | 0.051 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 58.9 | 20.6 | -178.4 | -53.5 | -171.7 | 43.4 | 0 | 0 | 114.5 | E34 I37 S76 V77 Q80 N115 L116 | E34-Q118 PolarHBondContact OE1-NE2 2.91Å; I37-Q118 HydrophobicContact CD1-CG 4.49Å; S76-Q118 PolarHBondContact OG-O 2.79Å; V77-Q118 HydrophobicContact CG2-CB 3.61Å; V77-Q118 HydrophobicContact CG2-CG 3.85Å; Q80-Q118 PolarHBondContact NE2-O 2.82Å; Q80-Q118 VanDerWaalsContact NE2-O 3.17Å; N115-Q118 PolarHBondContact O-N 2.62Å; N115-Q118 PolarHBondContact OD1-N 2.94Å; L116-Q118 PolarHBondContact O-N 2.85Å |
| 119 | V | 80.8 | Confident | 84.5 | Confident | 65 Ų | 65 | 23.7 Ų | 23.7 | 39% | 0.394 | 12% | 0.123 | S | C | . | . | trans | -94.3 | 125 | 177.4 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | F114 N115 H117 R121 | F114-V119 WeakPolarHBondContact CA-O 3.33Å; N115-V119 PolarHBondContact N-O 2.95Å; N115-V119 WeakPolarHBondContact OD1-CA 3.43Å; N115-V119 WeakPolarHBondContact OD1-CB 3.43Å; N115-V119 PolarHBondContact OD1-N 3.18Å; N115-V119 PolarHBondContact OD1-O 2.75Å; H117-V119 HydrophobicContact CB-CG2 4.18Å; H117-V119 PolarHBondContact O-N 2.83Å; H117-V119 VanDerWaalsContact O-N 3.07Å; V119-R121 PolarHBondContact O-N 2.83Å | ||
| 120 | L | 85.1 | Confident | 83.6 | Confident | 43 Ų | 43 | 29 Ų | 29 | 23% | 0.225 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 118.1 | 172.7 | -179.7 | 61.1 | 0 | 0 | 0 | 109.8 | Q80 F112 F114 L122 | Q80-L120 VanDerWaalsContact OE1-CB 3.27Å; F112-L120 HydrophobicContact CB-CD1 4.08Å; F112-L120 HydrophobicContact CD1-CD1 3.68Å; F112-L120 HydrophobicContact CD1-CD2 4.03Å; F112-L120 HydrophobicContact CE1-CD2 4.28Å; F112-L120 HydrophobicContact CG-CD1 4.39Å; F114-L120 HydrophobicContact CD1-CB 3.93Å; F114-L120 HydrophobicContact CD1-CD1 4.3Å; F114-L120 HydrophobicContact CD2-CD1 4.45Å; F114-L120 HydrophobicContact CE1-CB 3.69Å; F114-L120 HydrophobicContact CE1-CD1 4.01Å; F114-L120 HydrophobicContact CE1-CG 4.38Å; F114-L120 HydrophobicContact CE2-CD1 4.17Å; F114-L120 HydrophobicContact CZ-CB 4.39Å; F114-L120 HydrophobicContact CZ-CD1 3.94Å; L120-L122 VanDerWaalsContact CD1-O 3.27Å; L120-L122 WeakPolarHBondContact CD1-O 3.42Å |
| 121 | R | 85.3 | Confident | 83 | Confident | 68 Ų | 68 | 35.6 Ų | 35.6 | 26% | 0.257 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -42.4 | 179.7 | -64.9 | -58.4 | -175.7 | 152.4 | 0.4 | 112.4 | I113 N115 V119 V174 S179 | I113-R121 PolarHBondContact O-N 3.12Å; N115-R121 HydrophobicContact CB-CG 4.02Å; N115-R121 PolarHBondContact ND2-NE 3.24Å; N115-R121 PolarHBondContact ND2-NH2 2.85Å; V119-R121 PolarHBondContact O-N 2.83Å; R121-V174 HydrophobicContact CB-CG1 3.81Å; R121-S179 PolarHBondContact NH1-OG 3.01Å |
| 122 | L | 85.2 | Confident | 82.4 | Confident | 10 Ų | 10 | 37.3 Ų | 37.3 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 143 | -179.1 | -55.7 | 173.5 | 0 | 0 | 0 | 111.7 | I113 L120 F124 I170 V174 G239 | I113-L122 HydrophobicContact CB-CB 4.03Å; I113-L122 HydrophobicContact CD1-CB 4.44Å; I113-L122 HydrophobicContact CD1-CD1 3.98Å; I113-L122 HydrophobicContact CG1-CB 4.4Å; I113-L122 PolarHBondContact N-O 3.4Å; I113-L122 PolarHBondContact O-N 3.15Å; L120-L122 VanDerWaalsContact CD1-O 3.27Å; L120-L122 WeakPolarHBondContact CD1-O 3.42Å; L122-F124 HydrophobicContact CB-CD1 3.87Å; L122-F124 HydrophobicContact CB-CE1 3.86Å; L122-F124 HydrophobicContact CD1-CE1 4.26Å; L122-I170 HydrophobicContact CD1-CD1 4.38Å; L122-I170 HydrophobicContact CD1-CG2 4.32Å; L122-V174 HydrophobicContact CD1-CG1 3.87Å; L122-V174 HydrophobicContact CD2-CG1 3.82Å; L122-V174 HydrophobicContact CG-CG1 3.67Å; L122-G239 WeakPolarHBondContact CD2-O 3.5Å |
| 123 | C | 86.4 | Confident | 81.8 | Confident | 18 Ų | 18 | 40.5 Ų | 40.5 | 12% | 0.122 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 115.1 | 169.9 | -167.5 | 0 | 0 | 0 | 0 | 108.5 | I111 F112 I127 F234 | I111-C123 VanDerWaalsContact O-CA 3.31Å; I111-C123 WeakPolarHBondContact O-CA 3.27Å; F112-C123 HydrophobicContact CD1-CB 4.36Å; F112-C123 HydrophobicContact CE1-CB 4.36Å; F112-C123 WeakPolarHBondContact CE1-SG 3.26Å; C123-I127 HydrophobicContact CB-CD1 4.36Å; C123-I127 WeakPolarHBondContact SG-CD1 3.5Å; C123-F234 HydrophobicContact CB-CE1 4.4Å |
| 124 | F | 87.5 | Confident | 81.4 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 173.8 | -173 | 59.6 | -83.8 | 0 | 0 | 0 | 112.2 | I111 I113 L122 L156 W168 I170 Y240 | I111-F124 HydrophobicContact CB-CD2 4.45Å; I111-F124 HydrophobicContact CB-CE1 4.38Å; I111-F124 HydrophobicContact CB-CE2 4.16Å; I111-F124 HydrophobicContact CB-CZ 4.12Å; I111-F124 HydrophobicContact CD1-CD2 4.02Å; I111-F124 HydrophobicContact CD1-CE2 3.51Å; I111-F124 HydrophobicContact CD1-CZ 4.12Å; I111-F124 HydrophobicContact CG1-CE2 4.44Å; I111-F124 HydrophobicContact CG2-CE1 4.16Å; I111-F124 HydrophobicContact CG2-CE2 4.34Å; I111-F124 HydrophobicContact CG2-CZ 3.86Å; I111-F124 PolarHBondContact N-O 3.47Å; I111-F124 PolarHBondContact O-N 3.18Å; I111-F124 VanDerWaalsContact O-N 3.09Å; I113-F124 HydrophobicContact CD1-CE1 3.73Å; I113-F124 HydrophobicContact CD1-CZ 4Å; I113-F124 HydrophobicContact CG1-CE1 4.16Å; L122-F124 HydrophobicContact CB-CD1 3.87Å; L122-F124 HydrophobicContact CB-CE1 3.86Å; L122-F124 HydrophobicContact CD1-CE1 4.26Å; F124-L156 HydrophobicContact CZ-CD2 4.39Å; F124-W168 HydrophobicContact CD2-CD2 4.29Å; F124-W168 AromaticContact CD2-CE3 3.96Å; F124-W168 HydrophobicContact CD2-CE3 3.96Å; F124-W168 HydrophobicContact CD2-CH2 4.13Å; F124-W168 HydrophobicContact CD2-CZ2 4.47Å; F124-W168 AromaticContact CD2-CZ3 3.86Å; F124-W168 HydrophobicContact CD2-CZ3 3.86Å; F124-W168 AromaticContact CE2-CD2 3.6Å; F124-W168 HydrophobicContact CE2-CD2 3.6Å; F124-W168 AromaticContact CE2-CE2 3.95Å; F124-W168 AromaticContact CE2-CE3 3.64Å; F124-W168 HydrophobicContact CE2-CE3 3.64Å; F124-W168 AromaticContact CE2-CG 4Å; F124-W168 HydrophobicContact CE2-CG 4Å; F124-W168 HydrophobicContact CE2-CH2 4.34Å; F124-W168 HydrophobicContact CE2-CZ2 4.33Å; F124-W168 HydrophobicContact CE2-CZ3 4.01Å; F124-I170 HydrophobicContact CZ-CD1 4.18Å; F124-Y240 HydrophobicContact CB-CD1 4.07Å |
| 125 | G | 82.9 | Confident | 80.9 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 119.6 | -126.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | I127 S128 | G125-I127 PolarHBondContact O-N 3.2Å; G125-I127 VanDerWaalsContact O-N 3.12Å; G125-S128 PolarHBondContact N-OG 3.09Å; G125-S128 VanDerWaalsContact O-CB 3.25Å; G125-S128 WeakPolarHBondContact O-CB 3.39Å; G125-S128 PolarHBondContact O-N 3.27Å; G125-S128 PolarHBondContact O-OG 3.36Å |
| 126 | N | 78.7 | Confident | 80.7 | Confident | 57 Ų | 57 | 47.4 Ų | 47.4 | 31% | 0.305 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16.7 | -178.5 | -79.6 | -8.6 | 0 | 0 | 0 | 116 | K108 G109 G138 E139 | K108-N126 PolarHBondContact O-ND2 2.81Å; G109-N126 PolarHBondContact O-N 3.47Å; N126-G138 PolarHBondContact ND2-O 2.93Å; N126-G138 WeakPolarHBondContact OD1-CA 3.27Å; N126-G138 PolarHBondContact OD1-O 3.04Å; N126-E139 WeakPolarHBondContact OD1-CA 3.36Å; N126-E139 PolarHBondContact OD1-N 3.45Å |
| 127 | I | 79.9 | Confident | 80.8 | Confident | 69 Ų | 69 | 46.8 Ų | 46.8 | 35% | 0.354 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -2.2 | 177.1 | 60.3 | 162.5 | 0 | 0 | 0 | 112.8 | V110 C123 G125 | V110-I127 HydrophobicContact CG1-CD1 3.88Å; V110-I127 HydrophobicContact CG1-CG1 4.1Å; V110-I127 HydrophobicContact CG2-CG1 4.31Å; V110-I127 HydrophobicContact CG2-CG2 3.8Å; C123-I127 HydrophobicContact CB-CD1 4.36Å; C123-I127 WeakPolarHBondContact SG-CD1 3.5Å; G125-I127 PolarHBondContact O-N 3.2Å; G125-I127 VanDerWaalsContact O-N 3.12Å |
| 128 | S | 79.7 | Confident | 80.8 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 5% | 0.049 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -64.7 | 154.6 | 176.2 | -69 | 0 | 0 | 0 | 0 | 110.5 | G125 | G125-S128 PolarHBondContact N-OG 3.09Å; G125-S128 VanDerWaalsContact O-CB 3.25Å; G125-S128 WeakPolarHBondContact O-CB 3.39Å; G125-S128 PolarHBondContact O-N 3.27Å; G125-S128 PolarHBondContact O-OG 3.36Å |
| 129 | P | 76 | Confident | 80.7 | Confident | 45 Ų | 45 | 48.3 Ų | 48.3 | 29% | 0.292 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 135.5 | -177.4 | -24.1 | 32.4 | 0 | 0 | 0 | 111.8 | T132 A135 | P129-T132 HydrophobicContact CB-CG2 3.96Å; P129-T132 HydrophobicContact CG-CG2 4.44Å; P129-T132 WeakPolarHBondContact O-CB 3.46Å; P129-T132 VanDerWaalsContact O-CG2 3.3Å; P129-T132 WeakPolarHBondContact O-CG2 3.47Å; P129-T132 PolarHBondContact O-N 2.67Å; P129-T132 PolarHBondContact O-OG1 3.49Å; P129-A135 WeakPolarHBondContact O-CB 3.3Å |
| 130 | P | 70.9 | Confident | 80.8 | Confident | 113 Ų | 113 | 49.8 Ų | 49.8 | 73% | 0.734 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 146.4 | -178.2 | 21 | -30.9 | 0 | 0 | 0 | 111.2 | T132 | P130-T132 VanDerWaalsContact C-N 3.28Å; P130-T132 PolarHBondContact O-N 3.4Å |
| 131 | N | 75.3 | Confident | 80.9 | Confident | 138 Ų | 138 | 49.3 Ų | 49.3 | 74% | 0.738 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 2.6 | -174 | -57.3 | -49 | 0 | 0 | 0 | 117.3 | ||
| 132 | T | 80.6 | Confident | 81 | Confident | 36 Ų | 36 | 47.3 Ų | 47.3 | 22% | 0.221 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -76.7 | 148.1 | 169 | 60 | 0 | 0 | 0 | 0 | 111.1 | P129 P130 E134 A135 K136 | P129-T132 HydrophobicContact CB-CG2 3.96Å; P129-T132 HydrophobicContact CG-CG2 4.44Å; P129-T132 WeakPolarHBondContact O-CB 3.46Å; P129-T132 VanDerWaalsContact O-CG2 3.3Å; P129-T132 WeakPolarHBondContact O-CG2 3.47Å; P129-T132 PolarHBondContact O-N 2.67Å; P129-T132 PolarHBondContact O-OG1 3.49Å; P130-T132 VanDerWaalsContact C-N 3.28Å; P130-T132 PolarHBondContact O-N 3.4Å; T132-E134 WeakPolarHBondContact CB-OE2 3.36Å; T132-E134 PolarHBondContact O-N 3.24Å; T132-A135 PolarHBondContact O-N 2.91Å; T132-A135 VanDerWaalsContact OG1-CB 3.3Å; T132-A135 WeakPolarHBondContact OG1-CB 3.39Å; T132-A135 PolarHBondContact OG1-N 3.17Å; T132-A135 VanDerWaalsContact OG1-N 3.14Å; T132-K136 WeakPolarHBondContact O-CG 3.21Å; T132-K136 PolarHBondContact O-N 3.36Å; T132-K136 VanDerWaalsContact O-N 3.09Å |
| 133 | P | 78.4 | Confident | 81.2 | Confident | 75 Ų | 75 | 49.3 Ų | 49.3 | 49% | 0.487 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.3 | -32.9 | 173.4 | 19.7 | -27 | 0 | 0 | 0 | 111.6 | K136 A137 L243 | P133-K136 PolarHBondContact O-N 3.26Å; P133-A137 PolarHBondContact O-N 2.95Å; P133-A137 VanDerWaalsContact O-N 3.15Å; P133-L243 HydrophobicContact CB-CD2 4.24Å; P133-L243 WeakPolarHBondContact O-CD2 3.2Å |
| 134 | E | 81.8 | Confident | 81.5 | Confident | 34 Ų | 34 | 48.6 Ų | 48.6 | 16% | 0.159 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64 | -44.3 | 175.8 | -61.7 | 73.2 | -158.8 | 0 | 0 | 112.5 | T132 A137 W168 | T132-E134 WeakPolarHBondContact CB-OE2 3.36Å; T132-E134 PolarHBondContact O-N 3.24Å; E134-A137 WeakPolarHBondContact O-CB 3.31Å; E134-A137 PolarHBondContact O-N 2.95Å; E134-W168 HydrophobicContact CB-CH2 4.37Å; E134-W168 HydrophobicContact CB-CZ3 3.94Å; E134-W168 HydrophobicContact CG-CZ3 3.89Å |
| 135 | A | 78.1 | Confident | 81.7 | Confident | 6 Ų | 6 | 48.8 Ų | 48.8 | 5% | 0.05 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.5 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P129 T132 A137 G138 E139 | P129-A135 WeakPolarHBondContact O-CB 3.3Å; T132-A135 PolarHBondContact O-N 2.91Å; T132-A135 VanDerWaalsContact OG1-CB 3.3Å; T132-A135 WeakPolarHBondContact OG1-CB 3.39Å; T132-A135 PolarHBondContact OG1-N 3.17Å; T132-A135 VanDerWaalsContact OG1-N 3.14Å; A135-A137 PolarHBondContact O-N 2.84Å; A135-G138 PolarHBondContact O-N 3.12Å; A135-E139 WeakPolarHBondContact O-CB 3.28Å; A135-E139 PolarHBondContact O-N 3.4Å; A135-E139 VanDerWaalsContact O-N 3.07Å |
| 136 | K | 80.4 | Confident | 82.3 | Confident | 112 Ų | 112 | 48.9 Ų | 48.9 | 49% | 0.487 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.3 | -25.5 | 178.6 | -72.4 | -178.6 | 179.2 | 179.9 | 0 | 113.5 | T132 P133 R164 | T132-K136 WeakPolarHBondContact O-CG 3.21Å; T132-K136 PolarHBondContact O-N 3.36Å; T132-K136 VanDerWaalsContact O-N 3.09Å; P133-K136 PolarHBondContact O-N 3.26Å; K136-R164 PolarHBondContact O-NH1 3Å; K136-R164 VanDerWaalsContact O-NH1 3.12Å |
| 137 | A | 83.3 | Confident | 83 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P133 E134 A135 Q141 R164 A166 W168 L243 M246 | P133-A137 PolarHBondContact O-N 2.95Å; P133-A137 VanDerWaalsContact O-N 3.15Å; E134-A137 WeakPolarHBondContact O-CB 3.31Å; E134-A137 PolarHBondContact O-N 2.95Å; A135-A137 PolarHBondContact O-N 2.84Å; A137-Q141 WeakPolarHBondContact O-CG 3.4Å; A137-R164 WeakPolarHBondContact O-CD 3.48Å; A137-A166 HydrophobicContact CB-CB 4.26Å; A137-W168 HydrophobicContact CB-CH2 3.68Å; A137-W168 HydrophobicContact CB-CZ2 3.88Å; A137-L243 HydrophobicContact CB-CD1 4.15Å; A137-L243 HydrophobicContact CB-CD2 3.95Å; A137-M246 HydrophobicContact CB-SD 4.08Å |
| 138 | G | 78.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -95 | -20.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | N126 A135 A140 Q141 | N126-G138 PolarHBondContact ND2-O 2.93Å; N126-G138 WeakPolarHBondContact OD1-CA 3.27Å; N126-G138 PolarHBondContact OD1-O 3.04Å; A135-G138 PolarHBondContact O-N 3.12Å; G138-A140 PolarHBondContact O-N 3Å; G138-Q141 WeakPolarHBondContact O-CB 3.19Å; G138-Q141 WeakPolarHBondContact O-CG 3.36Å; G138-Q141 PolarHBondContact O-N 2.82Å |
| 139 | E | 81.3 | Confident | 84.2 | Confident | 118 Ų | 118 | 44.3 Ų | 44.3 | 55% | 0.551 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 125.4 | -167.5 | -169.7 | 176.8 | -174 | 0 | 0 | 111.1 | N126 A135 Q141 | N126-E139 WeakPolarHBondContact OD1-CA 3.36Å; N126-E139 PolarHBondContact OD1-N 3.45Å; A135-E139 WeakPolarHBondContact O-CB 3.28Å; A135-E139 PolarHBondContact O-N 3.4Å; A135-E139 VanDerWaalsContact O-N 3.07Å; E139-Q141 WeakPolarHBondContact O-CG 3.47Å; E139-Q141 PolarHBondContact O-N 2.96Å; E139-Q141 VanDerWaalsContact O-N 3.17Å; E139-Q141 PolarHBondContact O-NE2 3.01Å |
| 140 | A | 81.4 | Confident | 84.8 | Confident | 97 Ų | 97 | 42.3 Ų | 42.3 | 80% | 0.802 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 22.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | G138 | G138-A140 PolarHBondContact O-N 3Š|
| 141 | Q | 87.9 | Confident | 85.3 | Confident | 32 Ų | 32 | 39 Ų | 39 | 15% | 0.15 | 23% | 0.226 | C | C | . | . | trans | -93.4 | -9.2 | 178.5 | -54.9 | -53.5 | -54.5 | 0 | 0 | 114.3 | A137 G138 E139 Y160 S161 S162 | A137-Q141 WeakPolarHBondContact O-CG 3.4Å; G138-Q141 WeakPolarHBondContact O-CB 3.19Å; G138-Q141 WeakPolarHBondContact O-CG 3.36Å; G138-Q141 PolarHBondContact O-N 2.82Å; E139-Q141 WeakPolarHBondContact O-CG 3.47Å; E139-Q141 PolarHBondContact O-N 2.96Å; E139-Q141 VanDerWaalsContact O-N 3.17Å; E139-Q141 PolarHBondContact O-NE2 3.01Å; Q141-Y160 HydrophobicContact CB-CD1 3.77Å; Q141-Y160 HydrophobicContact CB-CD2 4.29Å; Q141-Y160 HydrophobicContact CB-CG 3.65Å; Q141-Y160 HydrophobicContact CG-CG 4.45Å; Q141-S161 PolarHBondContact O-OG 3.31Å; Q141-S162 WeakPolarHBondContact O-CB 3.2Å; Q141-S162 PolarHBondContact O-N 3.39Å; Q141-S162 VanDerWaalsContact O-N 3.09Å; Q141-S162 PolarHBondContact O-OG 2.93Å; Q141-S162 VanDerWaalsContact OE1-CB 3.29Å; Q141-S162 PolarHBondContact OE1-OG 2.83Å | ||
| 142 | G | 87.9 | Confident | 85.4 | Confident | 27 Ų | 27 | 36.6 Ų | 36.6 | 28% | 0.278 | 21% | 0.213 | S | C | . | . | trans | 78.4 | -161.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S161 | G142-S161 WeakPolarHBondContact CA-OG 3.24Š| ||
| 143 | P | 89.5 | Confident | 85.5 | Confident | 52 Ų | 52 | 34.9 Ų | 34.9 | 34% | 0.338 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -53.7 | 146 | -179.6 | -29.4 | 34.2 | 0 | 0 | 0 | 114.4 | N107 T145 Y160 S161 | N107-P143 HydrophobicContact CB-CB 4.38Å; N107-P143 HydrophobicContact CB-CG 4.41Å; N107-P143 WeakPolarHBondContact O-CA 3.43Å; N107-P143 WeakPolarHBondContact O-CG 3.39Å; P143-T145 PolarHBondContact O-N 3.23Å; P143-Y160 CarbonylContact O-C 3.48Å; P143-Y160 WeakPolarHBondContact O-CA 3.4Å; P143-S161 VanDerWaalsContact CD-OG 3.31Å; P143-S161 WeakPolarHBondContact CD-OG 3.43Å; P143-S161 PolarHBondContact O-N 2.79Å |
| 144 | I | 93 | Very high | 85.8 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 119.6 | 165.4 | -53.5 | -172.2 | 0 | 0 | 0 | 107.9 | S94 T106 V110 I111 L147 A159 Y160 | S94-I144 PolarHBondContact OG-O 3.07Å; T106-I144 PolarHBondContact O-N 3.08Å; T106-I144 VanDerWaalsContact O-N 3.11Å; V110-I144 WeakPolarHBondContact O-CD1 3.31Å; I111-I144 HydrophobicContact CD1-CD1 4.24Å; I111-I144 HydrophobicContact CG1-CD1 3.39Å; I144-L147 HydrophobicContact CG2-CD2 3.96Å; I144-L147 HydrophobicContact CG2-CG 4.26Å; I144-A159 CarbonylContact C-O 3.48Å; I144-A159 WeakPolarHBondContact CA-O 3.2Å; I144-Y160 HydrophobicContact CD1-CE1 4.36Å; I144-Y160 HydrophobicContact CG1-CD1 4.15Å; I144-Y160 HydrophobicContact CG1-CE1 3.89Å |
| 145 | T | 91.9 | Very high | 86.2 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -35.4 | -177.2 | 57.5 | 0 | 0 | 0 | 0 | 112.5 | P143 A159 I257 L508 H528 | P143-T145 PolarHBondContact O-N 3.23Å; T145-A159 PolarHBondContact N-O 3.22Å; T145-A159 PolarHBondContact OG1-O 2.8Å; T145-I257 WeakPolarHBondContact CB-O 3.3Å; T145-I257 PolarHBondContact OG1-O 2.8Å; T145-L508 HydrophobicContact CG2-CD1 3.95Å; T145-L508 HydrophobicContact CG2-CD2 3.89Å; T145-L508 HydrophobicContact CG2-CG 4.04Å; T145-H528 PolarHBondContact O-CD2 3.39Å |
| 146 | V | 93.6 | Very high | 86.9 | Confident | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 140.7 | -176.1 | -167.9 | 0 | 0 | 0 | 0 | 111.2 | T158 A159 S258 C260 | V146-T158 WeakPolarHBondContact O-CA 3.38Å; V146-A159 HydrophobicContact CB-CB 4.13Å; V146-A159 HydrophobicContact CG2-CB 4.44Å; V146-A159 PolarHBondContact O-N 3.17Å; V146-S258 WeakPolarHBondContact CG2-O 3.47Å; V146-C260 HydrophobicContact CB-CB 3.99Å; V146-C260 HydrophobicContact CG1-CB 3.75Å; V146-C260 HydrophobicContact CG2-CB 4.4Å |
| 147 | L | 94.4 | Very high | 87.6 | Confident | 12 Ų | 12 | 28 Ų | 28 | 6% | 0.063 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 134.3 | 166.1 | -68.6 | -179.5 | 0 | 0 | 0 | 110.1 | A103 G105 I144 L156 M157 T158 | A103-L147 HydrophobicContact CB-CD1 4.01Å; G105-L147 VanDerWaalsContact N-CD1 3.26Å; I144-L147 HydrophobicContact CG2-CD2 3.96Å; I144-L147 HydrophobicContact CG2-CG 4.26Å; L147-L156 HydrophobicContact CD2-CD1 4.42Å; L147-M157 WeakPolarHBondContact CA-O 3.33Å; L147-T158 HydrophobicContact CD2-CG2 3.16Å |
| 148 | S | 93 | Very high | 88.1 | Confident | 15 Ų | 15 | 28 Ų | 28 | 11% | 0.105 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 130.6 | 174 | -171.2 | 0 | 0 | 0 | 0 | 111.8 | L156 M157 C260 C261 F262 | S148-L156 WeakPolarHBondContact O-CA 3.32Å; S148-M157 PolarHBondContact N-O 3.09Å; S148-M157 PolarHBondContact O-N 3.49Å; S148-C260 WeakPolarHBondContact CB-O 3.39Å; S148-C261 WeakPolarHBondContact OG-CA 3.45Å; S148-F262 WeakPolarHBondContact O-CE2 3.41Å; S148-F262 PolarHBondContact OG-N 2.83Å |
| 149 | Q | 91.2 | Very high | 88.9 | Confident | 9 Ų | 9 | 28 Ų | 28 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 138 | 172.9 | -67.2 | 179.2 | 47.9 | 0 | 0 | 110.1 | S97 R99 Y101 L156 | S97-Q149 PolarHBondContact O-NE2 2.86Å; S97-Q149 VanDerWaalsContact O-NE2 3.13Å; S97-Q149 WeakPolarHBondContact OG-CG 3.37Å; S97-Q149 PolarHBondContact OG-NE2 3.28Å; R99-Q149 HydrophobicContact CB-CB 4.48Å; Y101-Q149 VanDerWaalsContact CE2-CD 3.5Å; Y101-Q149 HydrophobicContact CE2-CG 3.99Å; Y101-Q149 PolarHBondContact O-NE2 3.37Å; Q149-L156 HydrophobicContact CG-CD1 3.95Å |
| 150 | N | 88.3 | Confident | 89.4 | Confident | 3 Ų | 3 | 22.4 Ų | 22.4 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | trans | -69 | 168.4 | 168.2 | 75.5 | -13.4 | 0 | 0 | 0 | 111 | N152 G153 T154 L155 F262 | N150-N152 PolarHBondContact O-N 2.89Å; N150-N152 VanDerWaalsContact O-N 3.08Å; N150-G153 PolarHBondContact O-N 3.42Å; N150-G153 WeakPolarHBondContact OD1-CA 3.4Å; N150-G153 PolarHBondContact OD1-N 2.84Å; N150-T154 PolarHBondContact ND2-OG1 3.37Å; N150-T154 PolarHBondContact OD1-N 2.94Å; N150-L155 HydrophobicContact CB-CB 4.12Å; N150-L155 PolarHBondContact N-O 3.06Å; N150-L155 WeakPolarHBondContact ND2-CG 3.29Å; N150-L155 PolarHBondContact ND2-N 3.4Å; N150-L155 PolarHBondContact OD1-N 2.94Å; N150-L155 PolarHBondContact OD1-O 2.85Å; N150-F262 HydrophobicContact CB-CB 4.23Å; N150-F262 HydrophobicContact CB-CD1 4.14Å; N150-F262 HydrophobicContact CB-CD2 3.89Å; N150-F262 HydrophobicContact CB-CE1 4.47Å; N150-F262 HydrophobicContact CB-CE2 4.21Å; N150-F262 HydrophobicContact CB-CG 3.83Å; N150-F262 HydrophobicContact CB-CZ 4.5Å; N150-F262 VanDerWaalsContact N-CD2 3.33Å | ||
| 151 | Q | 81.5 | Confident | 89.8 | Confident | 43 Ų | 43 | 18.7 Ų | 18.7 | 20% | 0.201 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -35.3 | -174.9 | -67.7 | -169.9 | -19.4 | 0 | 0 | 114.4 | ||
| 152 | N | 78.6 | Confident | 89.9 | Confident | 88 Ų | 88 | 19.4 Ų | 19.4 | 47% | 0.471 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -2.3 | -175.1 | -64.3 | 3.6 | 0 | 0 | 0 | 113.6 | K100 N150 T154 | K100-N152 VanDerWaalsContact CD-O 3.26Å; K100-N152 WeakPolarHBondContact CD-O 3.47Å; K100-N152 VanDerWaalsContact CE-O 3.23Å; K100-N152 WeakPolarHBondContact CE-O 3.29Å; K100-N152 PolarHBondContact NZ-O 3.34Å; N150-N152 PolarHBondContact O-N 2.89Å; N150-N152 VanDerWaalsContact O-N 3.08Å; N152-T154 HydrophobicContact CB-CG2 4.24Å; N152-T154 PolarHBondContact O-N 2.98Å |
| 153 | G | 82.5 | Confident | 90 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | S | Bend | trans | 67.7 | 18 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y101 N150 | Y101-G153 VanDerWaalsContact CE1-O 3.29Å; Y101-G153 WeakPolarHBondContact CE1-O 3.41Å; N150-G153 PolarHBondContact O-N 3.42Å; N150-G153 WeakPolarHBondContact OD1-CA 3.4Å; N150-G153 PolarHBondContact OD1-N 2.84Å |
| 154 | T | 85 | Confident | 90.2 | Very high | 59 Ų | 59 | 17.5 Ų | 17.5 | 36% | 0.362 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -88.9 | -23.6 | 179.6 | 56.6 | 0 | 0 | 0 | 0 | 112.8 | N150 N152 Q169 I170 | N150-T154 PolarHBondContact ND2-OG1 3.37Å; N150-T154 PolarHBondContact OD1-N 2.94Å; N152-T154 HydrophobicContact CB-CG2 4.24Å; N152-T154 PolarHBondContact O-N 2.98Å; T154-Q169 WeakPolarHBondContact O-CA 3.08Å; T154-I170 PolarHBondContact O-N 2.84Å |
| 155 | L | 90.4 | Very high | 90.3 | Very high | 22 Ų | 22 | 17.4 Ų | 17.4 | 12% | 0.115 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 132.3 | 178.7 | -58.5 | 177.4 | 0 | 0 | 0 | 109.8 | N150 W168 L244 F262 | N150-L155 HydrophobicContact CB-CB 4.12Å; N150-L155 PolarHBondContact N-O 3.06Å; N150-L155 WeakPolarHBondContact ND2-CG 3.29Å; N150-L155 PolarHBondContact ND2-N 3.4Å; N150-L155 PolarHBondContact OD1-N 2.94Å; N150-L155 PolarHBondContact OD1-O 2.85Å; L155-W168 CarbonylContact C-O 3.55Å; L155-W168 VanDerWaalsContact CA-O 3.31Å; L155-W168 WeakPolarHBondContact CA-O 3.39Å; L155-L244 HydrophobicContact CD2-CD1 3.39Å; L155-F262 HydrophobicContact CB-CE1 4.38Å; L155-F262 HydrophobicContact CB-CE2 4.29Å; L155-F262 HydrophobicContact CB-CZ 3.8Å; L155-F262 HydrophobicContact CD1-CE1 4.31Å; L155-F262 HydrophobicContact CD1-CZ 4.48Å |
| 156 | L | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128.5 | 170.4 | 179.5 | 67.7 | 0 | 0 | 0 | 108.4 | A103 I111 I113 F124 L147 S148 Q149 T158 W168 I170 | A103-L156 HydrophobicContact CB-CD1 4.18Å; A103-L156 HydrophobicContact CB-CD2 4.48Å; I111-L156 HydrophobicContact CG2-CD2 3.96Å; I113-L156 HydrophobicContact CD1-CD2 4.06Å; F124-L156 HydrophobicContact CZ-CD2 4.39Å; L147-L156 HydrophobicContact CD2-CD1 4.42Å; S148-L156 WeakPolarHBondContact O-CA 3.32Å; Q149-L156 HydrophobicContact CG-CD1 3.95Å; L156-T158 HydrophobicContact CD2-CG2 4.24Å; L156-T158 HydrophobicContact CG-CG2 4.15Å; L156-W168 HydrophobicContact CB-CB 4.32Å; L156-W168 PolarHBondContact N-O 3.31Å; L156-W168 VanDerWaalsContact O-CD1 3.31Å; L156-W168 PolarHBondContact O-N 3.12Å; L156-I170 HydrophobicContact CB-CD1 4.3Å; L156-I170 HydrophobicContact CB-CG1 3.99Å |
| 157 | M | 93.7 | Very high | 90.2 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 131.8 | 174.5 | -178 | 167.5 | 54.8 | 0 | 0 | 108.8 | L147 S148 I165 A166 V167 C260 F262 A269 L281 F283 | L147-M157 WeakPolarHBondContact CA-O 3.33Å; S148-M157 PolarHBondContact N-O 3.09Å; S148-M157 PolarHBondContact O-N 3.49Å; M157-I165 HydrophobicContact CG-CG2 3.45Å; M157-I165 VanDerWaalsContact CG-CG2 3.45Å; M157-I165 HydrophobicContact SD-CG2 3.82Å; M157-A166 WeakPolarHBondContact CA-O 3.44Å; M157-V167 HydrophobicContact CG-CG2 4.24Å; M157-C260 HydrophobicContact CE-CB 4.22Å; M157-C260 WeakPolarHBondContact CE-SG 3.3Å; M157-C260 PolarHBondContact SD-SG 3.05Å; M157-F262 HydrophobicContact CB-CD2 4.38Å; M157-F262 HydrophobicContact CB-CE2 3.49Å; M157-F262 VanDerWaalsContact CB-CE2 3.49Å; M157-F262 HydrophobicContact CB-CZ 3.73Å; M157-F262 HydrophobicContact CE-CD2 4.22Å; M157-F262 HydrophobicContact CE-CE2 4.23Å; M157-F262 HydrophobicContact CE-CZ 4.49Å; M157-A269 HydrophobicContact CE-CB 3.86Å; M157-A269 HydrophobicContact SD-CB 4.16Å; M157-L281 HydrophobicContact SD-CD1 3.93Å; M157-F283 HydrophobicContact SD-CZ 4.15Å |
| 158 | T | 94.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 126.9 | -179 | 62.3 | 0 | 0 | 0 | 0 | 109.7 | I111 V146 L147 L156 I165 A166 W168 | I111-T158 HydrophobicContact CD1-CG2 3.42Å; I111-T158 VanDerWaalsContact CD1-CG2 3.42Å; I111-T158 HydrophobicContact CG1-CG2 4.14Å; V146-T158 WeakPolarHBondContact O-CA 3.38Å; L147-T158 HydrophobicContact CD2-CG2 3.16Å; L156-T158 HydrophobicContact CD2-CG2 4.24Å; L156-T158 HydrophobicContact CG-CG2 4.15Å; T158-I165 CarbonylContact O-C 3.57Å; T158-I165 WeakPolarHBondContact O-CA 3.33Å; T158-A166 PolarHBondContact N-O 2.84Å; T158-A166 PolarHBondContact O-N 3.07Å; T158-A166 PolarHBondContact OG1-O 3.29Å; T158-W168 PolarHBondContact OG1-NE1 3.19Å |
| 159 | A | 94.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 140.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | I144 T145 V146 I165 I257 C260 | I144-A159 CarbonylContact C-O 3.48Å; I144-A159 WeakPolarHBondContact CA-O 3.2Å; T145-A159 PolarHBondContact N-O 3.22Å; T145-A159 PolarHBondContact OG1-O 2.8Å; V146-A159 HydrophobicContact CB-CB 4.13Å; V146-A159 HydrophobicContact CG2-CB 4.44Å; V146-A159 PolarHBondContact O-N 3.17Å; A159-I165 HydrophobicContact CB-CG1 4.23Å; A159-I257 HydrophobicContact CB-CB 3.73Å; A159-I257 HydrophobicContact CB-CG1 4.23Å; A159-I257 HydrophobicContact CB-CG2 3.58Å; A159-C260 HydrophobicContact CB-CB 4.49Å |
| 160 | Y | 92.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 158.3 | -179.9 | -62.2 | -89.3 | 0 | 0 | 0 | 111.3 | Q141 P143 I144 S162 G163 R164 A166 | Q141-Y160 HydrophobicContact CB-CD1 3.77Å; Q141-Y160 HydrophobicContact CB-CD2 4.29Å; Q141-Y160 HydrophobicContact CB-CG 3.65Å; Q141-Y160 HydrophobicContact CG-CG 4.45Å; P143-Y160 CarbonylContact O-C 3.48Å; P143-Y160 WeakPolarHBondContact O-CA 3.4Å; I144-Y160 HydrophobicContact CD1-CE1 4.36Å; I144-Y160 HydrophobicContact CG1-CD1 4.15Å; I144-Y160 HydrophobicContact CG1-CE1 3.89Å; Y160-S162 PolarHBondContact O-N 3.24Å; Y160-S162 VanDerWaalsContact O-N 3.12Å; Y160-G163 PolarHBondContact O-N 3.41Å; Y160-R164 HydrophobicContact CD2-CB 4.28Å; Y160-R164 HydrophobicContact CD2-CG 4.18Å; Y160-R164 WeakPolarHBondContact CD2-O 3.46Å; Y160-R164 PolarHBondContact N-O 3.24Å; Y160-A166 HydrophobicContact CE2-CB 4.09Å |
| 161 | S | 89.9 | Confident | 89.4 | Confident | 19 Ų | 19 | 21.2 Ų | 21.2 | 13% | 0.133 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -24.7 | 178.4 | 67.4 | 0 | 0 | 0 | 0 | 114.4 | Q141 G142 P143 G163 S256 | Q141-S161 PolarHBondContact O-OG 3.31Å; G142-S161 WeakPolarHBondContact CA-OG 3.24Å; P143-S161 VanDerWaalsContact CD-OG 3.31Å; P143-S161 WeakPolarHBondContact CD-OG 3.43Å; P143-S161 PolarHBondContact O-N 2.79Å; S161-G163 PolarHBondContact O-N 3.06Å; S161-S256 WeakPolarHBondContact CA-OG 3.47Å; S161-S256 WeakPolarHBondContact O-CA 3.46Å; S161-S256 WeakPolarHBondContact O-CB 3.45Å; S161-S256 PolarHBondContact O-OG 3.49Å |
| 162 | S | 90.4 | Very high | 89 | Confident | 47 Ų | 47 | 22.7 Ų | 22.7 | 33% | 0.329 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -17.2 | 175.9 | 61.5 | 0 | 0 | 0 | 0 | 114.1 | Q141 Y160 R164 | Q141-S162 WeakPolarHBondContact O-CB 3.2Å; Q141-S162 PolarHBondContact O-N 3.39Å; Q141-S162 VanDerWaalsContact O-N 3.09Å; Q141-S162 PolarHBondContact O-OG 2.93Å; Q141-S162 VanDerWaalsContact OE1-CB 3.29Å; Q141-S162 PolarHBondContact OE1-OG 2.83Å; Y160-S162 PolarHBondContact O-N 3.24Å; Y160-S162 VanDerWaalsContact O-N 3.12Å; S162-R164 PolarHBondContact OG-N 2.85Å |
| 163 | G | 90.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 103.3 | -14.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y160 S161 H251 I257 | Y160-G163 PolarHBondContact O-N 3.41Å; S161-G163 PolarHBondContact O-N 3.06Å; G163-H251 VanDerWaalsContact CA-CD2 3.47Å; G163-H251 WeakPolarHBondContact CA-CD2 3.47Å; G163-I257 WeakPolarHBondContact O-CG1 3.36Å |
| 164 | R | 92.6 | Very high | 87.4 | Confident | 39 Ų | 39 | 23.9 Ų | 23.9 | 15% | 0.147 | 15% | 0.15 | C | C | . | . | trans | -66.3 | 139.2 | 178 | 173.3 | 168.4 | -69.5 | 167.7 | 0.4 | 111.3 | K136 A137 Y160 S162 D248 | K136-R164 PolarHBondContact O-NH1 3Å; K136-R164 VanDerWaalsContact O-NH1 3.12Å; A137-R164 WeakPolarHBondContact O-CD 3.48Å; Y160-R164 HydrophobicContact CD2-CB 4.28Å; Y160-R164 HydrophobicContact CD2-CG 4.18Å; Y160-R164 WeakPolarHBondContact CD2-O 3.46Å; Y160-R164 PolarHBondContact N-O 3.24Å; S162-R164 PolarHBondContact OG-N 2.85Å; R164-D248 WeakPolarHBondContact CB-OD1 3.3Å; R164-D248 WeakPolarHBondContact CD-OD1 3.4Å; R164-D248 WeakPolarHBondContact CG-OD1 3.12Å; R164-D248 IonicContact CZ-OD1 3.63Å; R164-D248 IonicContact CZ-OD2 3.23Å; R164-D248 IonicContact NE-OD1 3.71Å; R164-D248 PolarHBondContact NE-OD1 2.95Å; R164-D248 IonicContact NE-OD2 3.35Å; R164-D248 PolarHBondContact NE-OD2 3.17Å; R164-D248 IonicContact NH2-OD1 3.02Å; R164-D248 IonicContact NH2-OD2 2.87Å; R164-D248 PolarHBondContact NH2-OD2 3.29Å | ||
| 165 | I | 94.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 127.1 | 169.8 | -55.7 | 173.7 | 0 | 0 | 0 | 108.9 | M157 T158 A159 M246 V247 A250 I257 C271 L281 | M157-I165 HydrophobicContact CG-CG2 3.45Å; M157-I165 VanDerWaalsContact CG-CG2 3.45Å; M157-I165 HydrophobicContact SD-CG2 3.82Å; T158-I165 CarbonylContact O-C 3.57Å; T158-I165 WeakPolarHBondContact O-CA 3.33Å; A159-I165 HydrophobicContact CB-CG1 4.23Å; I165-M246 CarbonylContact O-C 3.55Å; I165-M246 WeakPolarHBondContact O-CA 3.44Å; I165-V247 HydrophobicContact CB-CB 4.27Å; I165-V247 PolarHBondContact N-O 3.3Å; I165-V247 PolarHBondContact O-N 3.01Å; I165-A250 HydrophobicContact CD1-CB 4.29Å; I165-I257 HydrophobicContact CD1-CD1 4.14Å; I165-I257 HydrophobicContact CD1-CG1 4.07Å; I165-I257 HydrophobicContact CG1-CD1 4.47Å; I165-I257 HydrophobicContact CG1-CG1 3.93Å; I165-C271 HydrophobicContact CD1-CB 3.86Å; I165-L281 HydrophobicContact CD1-CD1 3.78Å |
| 166 | A | 92.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 136.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | A137 M157 T158 Y160 W168 L243 | A137-A166 HydrophobicContact CB-CB 4.26Å; M157-A166 WeakPolarHBondContact CA-O 3.44Å; T158-A166 PolarHBondContact N-O 2.84Å; T158-A166 PolarHBondContact O-N 3.07Å; T158-A166 PolarHBondContact OG1-O 3.29Å; Y160-A166 HydrophobicContact CE2-CB 4.09Å; A166-W168 HydrophobicContact CB-CZ2 3.82Å; A166-L243 HydrophobicContact CB-CD1 3.83Å |
| 167 | V | 92.2 | Very high | 82.9 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 124.6 | 177.3 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | M157 L244 C245 F262 F283 M290 | M157-V167 HydrophobicContact CG-CG2 4.24Å; V167-L244 WeakPolarHBondContact O-CB 3.39Å; V167-L244 PolarHBondContact O-N 3.19Å; V167-C245 PolarHBondContact N-O 2.92Å; V167-F262 HydrophobicContact CG1-CZ 4.37Å; V167-F283 HydrophobicContact CG2-CD1 4.41Å; V167-F283 HydrophobicContact CG2-CE1 3.6Å; V167-F283 HydrophobicContact CG2-CZ 3.7Å; V167-M290 HydrophobicContact CB-CE 4.34Å; V167-M290 HydrophobicContact CG1-CE 3.83Å |
| 168 | W | 91 | Very high | 80.6 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 140.7 | -173.6 | -47.6 | 87.8 | 0 | 0 | 0 | 110.2 | I111 F124 E134 A137 L155 L156 T158 A166 I170 R242 L243 | I111-W168 HydrophobicContact CD1-CZ2 4.2Å; F124-W168 HydrophobicContact CD2-CD2 4.29Å; F124-W168 AromaticContact CD2-CE3 3.96Å; F124-W168 HydrophobicContact CD2-CE3 3.96Å; F124-W168 HydrophobicContact CD2-CH2 4.13Å; F124-W168 HydrophobicContact CD2-CZ2 4.47Å; F124-W168 AromaticContact CD2-CZ3 3.86Å; F124-W168 HydrophobicContact CD2-CZ3 3.86Å; F124-W168 AromaticContact CE2-CD2 3.6Å; F124-W168 HydrophobicContact CE2-CD2 3.6Å; F124-W168 AromaticContact CE2-CE2 3.95Å; F124-W168 AromaticContact CE2-CE3 3.64Å; F124-W168 HydrophobicContact CE2-CE3 3.64Å; F124-W168 AromaticContact CE2-CG 4Å; F124-W168 HydrophobicContact CE2-CG 4Å; F124-W168 HydrophobicContact CE2-CH2 4.34Å; F124-W168 HydrophobicContact CE2-CZ2 4.33Å; F124-W168 HydrophobicContact CE2-CZ3 4.01Å; E134-W168 HydrophobicContact CB-CH2 4.37Å; E134-W168 HydrophobicContact CB-CZ3 3.94Å; E134-W168 HydrophobicContact CG-CZ3 3.89Å; A137-W168 HydrophobicContact CB-CH2 3.68Å; A137-W168 HydrophobicContact CB-CZ2 3.88Å; L155-W168 CarbonylContact C-O 3.55Å; L155-W168 VanDerWaalsContact CA-O 3.31Å; L155-W168 WeakPolarHBondContact CA-O 3.39Å; L156-W168 HydrophobicContact CB-CB 4.32Å; L156-W168 PolarHBondContact N-O 3.31Å; L156-W168 VanDerWaalsContact O-CD1 3.31Å; L156-W168 PolarHBondContact O-N 3.12Å; T158-W168 PolarHBondContact OG1-NE1 3.19Å; A166-W168 HydrophobicContact CB-CZ2 3.82Å; W168-I170 HydrophobicContact CB-CD1 4.28Å; W168-R242 CarbonylContact C-O 3.59Å; W168-R242 WeakPolarHBondContact CA-O 3.22Å; W168-L243 HydrophobicContact CD2-CD1 4.11Å; W168-L243 HydrophobicContact CE3-CB 3.96Å; W168-L243 HydrophobicContact CE3-CD1 4.01Å; W168-L243 HydrophobicContact CH2-CD1 4.09Å; W168-L243 HydrophobicContact CZ2-CD1 4.15Å; W168-L243 HydrophobicContact CZ3-CB 3.87Å; W168-L243 HydrophobicContact CZ3-CD1 4.02Å; W168-L243 HydrophobicContact CZ3-CG 4.48Å |
| 169 | Q | 89.2 | Confident | 77.9 | Confident | 80 Ų | 80 | 42.8 Ų | 42.8 | 37% | 0.374 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 123.3 | 167.6 | -167.9 | 175.1 | 11.9 | 0 | 0 | 109.3 | T154 R242 L244 | T154-Q169 WeakPolarHBondContact O-CA 3.08Å; Q169-R242 HydrophobicContact CB-CB 4.34Å; Q169-R242 PolarHBondContact N-O 3.45Å; Q169-R242 PolarHBondContact O-N 3.1Å; Q169-L244 HydrophobicContact CB-CD1 3.96Å; Q169-L244 HydrophobicContact CB-CD2 3.99Å; Q169-L244 HydrophobicContact CB-CG 3.92Å |
| 170 | I | 88.6 | Confident | 75.1 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.015 | 28% | 0.279 | C | S | . | . | trans | -99.9 | 115.4 | 175.5 | -53.3 | -49.8 | 0 | 0 | 0 | 108.3 | Y101 I113 L122 F124 T154 L156 W168 A172 L175 | Y101-I170 HydrophobicContact CE1-CB 4.44Å; Y101-I170 HydrophobicContact CE1-CG2 4.17Å; Y101-I170 WeakPolarHBondContact OH-CG1 3.43Å; I113-I170 HydrophobicContact CD1-CD1 3.45Å; I113-I170 VanDerWaalsContact CD1-CD1 3.45Å; I113-I170 HydrophobicContact CD1-CG1 3.94Å; I113-I170 HydrophobicContact CD1-CG2 4.33Å; L122-I170 HydrophobicContact CD1-CD1 4.38Å; L122-I170 HydrophobicContact CD1-CG2 4.32Å; F124-I170 HydrophobicContact CZ-CD1 4.18Å; T154-I170 PolarHBondContact O-N 2.84Å; L156-I170 HydrophobicContact CB-CD1 4.3Å; L156-I170 HydrophobicContact CB-CG1 3.99Å; W168-I170 HydrophobicContact CB-CD1 4.28Å; I170-A172 PolarHBondContact O-N 2.99Å; I170-L175 HydrophobicContact CG2-CD1 4.04Å; I170-L175 HydrophobicContact CG2-CD2 4.29Å; I170-L175 HydrophobicContact CG2-CG 4.2Å | ||
| 171 | P | 79.9 | Confident | 72.1 | Confident | 42 Ų | 42 | 54.7 Ų | 54.7 | 27% | 0.273 | 32% | 0.32 | S | S | . | . | trans | -66.2 | 134.8 | -178.6 | -17.3 | 29.4 | 0 | 0 | 0 | 111.4 | S173 V174 | P171-S173 PolarHBondContact O-N 3.34Å; P171-V174 HydrophobicContact CB-CB 4.49Å; P171-V174 HydrophobicContact CB-CG2 3.98Å; P171-V174 HydrophobicContact CG-CG2 4.01Å; P171-V174 PolarHBondContact O-N 2.9Å | ||
| 172 | A | 73.4 | Confident | 69 | Low | 75 Ų | 75 | 61.2 Ų | 61.2 | 62% | 0.62 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.2 | -30.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I170 V174 L175 S176 | I170-A172 PolarHBondContact O-N 2.99Å; A172-V174 VanDerWaalsContact C-N 3.3Å; A172-V174 PolarHBondContact O-N 3.05Å; A172-L175 PolarHBondContact O-N 3.07Å; A172-L175 VanDerWaalsContact O-N 3.12Å; A172-S176 PolarHBondContact O-N 2.84Å; A172-S176 VanDerWaalsContact O-N 3.14Å |
| 173 | S | 66.2 | Low | 65.9 | Low | 85 Ų | 85 | 65.2 Ų | 65.2 | 59% | 0.594 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.6 | -33 | 177.4 | 53.1 | 0 | 0 | 0 | 0 | 113.3 | P171 L175 S176 | P171-S173 PolarHBondContact O-N 3.34Å; S173-L175 PolarHBondContact O-N 2.85Å; S173-S176 PolarHBondContact O-N 3.14Å |
| 174 | V | 62.5 | Low | 63 | Low | 29 Ų | 29 | 73.4 Ų | 73.4 | 18% | 0.176 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -71.1 | -24.7 | 176.8 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | R121 L122 P171 A172 | R121-V174 HydrophobicContact CB-CG1 3.81Å; L122-V174 HydrophobicContact CD1-CG1 3.87Å; L122-V174 HydrophobicContact CD2-CG1 3.82Å; L122-V174 HydrophobicContact CG-CG1 3.67Å; P171-V174 HydrophobicContact CB-CB 4.49Å; P171-V174 HydrophobicContact CB-CG2 3.98Å; P171-V174 HydrophobicContact CG-CG2 4.01Å; P171-V174 PolarHBondContact O-N 2.9Å; A172-V174 VanDerWaalsContact C-N 3.3Å; A172-V174 PolarHBondContact O-N 3.05Å |
| 175 | L | 62.4 | Low | 59.8 | Low | 42 Ų | 42 | 80.5 Ų | 80.5 | 22% | 0.22 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -91.5 | -9.6 | 178.2 | -58.5 | 174 | 0 | 0 | 0 | 112.8 | Y101 I113 I170 A172 S173 | Y101-L175 HydrophobicContact CD1-CD1 3.62Å; Y101-L175 HydrophobicContact CD1-CD2 3.62Å; Y101-L175 HydrophobicContact CD1-CG 4.29Å; Y101-L175 HydrophobicContact CE1-CD1 3.87Å; Y101-L175 HydrophobicContact CE1-CD2 4.39Å; Y101-L175 HydrophobicContact CG-CD2 3.98Å; I113-L175 HydrophobicContact CG2-CD2 4.38Å; I170-L175 HydrophobicContact CG2-CD1 4.04Å; I170-L175 HydrophobicContact CG2-CD2 4.29Å; I170-L175 HydrophobicContact CG2-CG 4.2Å; A172-L175 PolarHBondContact O-N 3.07Å; A172-L175 VanDerWaalsContact O-N 3.12Å; S173-L175 PolarHBondContact O-N 2.85Å |
| 176 | S | 60.2 | Low | 56.6 | Low | 51 Ų | 51 | 84 Ų | 84 | 36% | 0.357 | 49% | 0.491 | S | S | . | . | trans | -79.5 | 138.2 | -177.8 | 149.5 | 0 | 0 | 0 | 0 | 112.5 | A172 S173 K178 | A172-S176 PolarHBondContact O-N 2.84Å; A172-S176 VanDerWaalsContact O-N 3.14Å; S173-S176 PolarHBondContact O-N 3.14Å; S176-K178 VanDerWaalsContact C-N 3.28Å; S176-K178 PolarHBondContact O-N 3.01Å; S176-K178 PolarHBondContact OG-N 3.12Å | ||
| 177 | E | 50.8 | Low | 53.4 | Low | 115 Ų | 115 | 94.4 Ų | 94.4 | 54% | 0.537 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -65.7 | -25.3 | -176.6 | -63.7 | 179.5 | 164.6 | 0 | 0 | 114.1 | H117 S179 | H117-E177 IonicContact CD2-OE1 2.86Å; H117-E177 IonicContact CE1-OE1 3.91Å; H117-E177 IonicContact NE2-OE1 3.26Å; H117-E177 PolarHBondContact NE2-OE1 3.26Å; E177-S179 PolarHBondContact O-N 2.88Å |
| 178 | K | 45.4 | Very low | 50.1 | Low | 190 Ų | 190 | 101 Ų | 101 | 83% | 0.826 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -70.8 | -4.1 | -168.3 | -66 | -169.6 | 176.6 | -173.6 | 0 | 116.3 | S176 G180 | S176-K178 VanDerWaalsContact C-N 3.28Å; S176-K178 PolarHBondContact O-N 3.01Å; S176-K178 PolarHBondContact OG-N 3.12Å; K178-G180 VanDerWaalsContact C-N 3.3Å; K178-G180 PolarHBondContact O-N 3.41Å |
| 179 | S | 37.1 | Very low | 47.1 | Very low | 81 Ų | 81 | 110.9 Ų | 110.9 | 57% | 0.566 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -87 | 16.5 | -174.1 | 88.3 | 0 | 0 | 0 | 0 | 115.3 | R121 E177 | R121-S179 PolarHBondContact NH1-OG 3.01Å; E177-S179 PolarHBondContact O-N 2.88Å |
| 180 | G | 36.6 | Very low | 44.3 | Very low | 67 Ų | 67 | 111.3 Ų | 111.3 | 69% | 0.691 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -114.8 | 2.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | K178 | K178-G180 VanDerWaalsContact C-N 3.3Å; K178-G180 PolarHBondContact O-N 3.41Å |
| 181 | Q | 28.5 | Very low | 41.6 | Very low | 183 Ų | 183 | 116.2 Ų | 116.2 | 86% | 0.855 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -111.4 | 0.3 | -172 | -88.1 | 178.2 | -20.5 | 0 | 0 | 116.6 | ||
| 182 | D | 25.1 | Very low | 39.1 | Very low | 156 Ų | 156 | 120.9 Ų | 120.9 | 83% | 0.834 | 67% | 0.672 | S | S | * | * | trans | -101.3 | 124.5 | 177.7 | -70.9 | -36.8 | 0 | 0 | 0 | 112.3 | ||||
| 183 | T | 25.8 | Very low | 37.1 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 81% | 0.81 | 68% | 0.677 | S | S | * | * | trans | 101 | 76.9 | 170.4 | -23.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 184 | I | 28.7 | Very low | 35.2 | Very low | 172 Ų | 172 | 128 Ų | 128 | 88% | 0.882 | 69% | 0.687 | S | S | * | * | -152.5 | 120.5 | 120.9 | -87.4 | 146.7 | 0 | 0 | 0 | 107.7 | |||||
| 185 | M | 25.2 | Very low | 33.7 | Very low | 187 Ų | 187 | 131.2 Ų | 131.2 | 92% | 0.921 | 71% | 0.711 | S | S | * | * | trans | -66.3 | 144 | 178.4 | -70.9 | -110.6 | -86.5 | 0 | 0 | 113.3 | ||||
| 186 | G | 27 | Very low | 32.1 | Very low | 74 Ų | 74 | 136.7 Ų | 136.7 | 76% | 0.763 | 74% | 0.741 | S | S | * | * | trans | 178.7 | 47.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 187 | R | 26.5 | Very low | 30.6 | Very low | 219 Ų | 219 | 141.7 Ų | 141.7 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | trans | 70.6 | 123.5 | 151.3 | -75 | -171.9 | 177.6 | -170.8 | -0.5 | 123.5 | ||||
| 188 | Q | 22.4 | Very low | 29.6 | Very low | 138 Ų | 138 | 141.4 Ų | 141.4 | 65% | 0.645 | 77% | 0.77 | S | S | * | * | trans | 61.5 | 129.8 | 130.6 | -65.3 | 178.9 | -28.7 | 0 | 0 | 117.9 | ||||
| 189 | Y | 27.7 | Very low | 28.7 | Very low | 208 Ų | 208 | 140.8 Ų | 140.8 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | cis | -150 | 157 | 31.5 | -95.1 | -93 | 0 | 0 | 0 | 110.5 | ||||
| 190 | A | 29.7 | Very low | 28.4 | Very low | 88 Ų | 88 | 143.1 Ų | 143.1 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -75.9 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 191 | P | 32.4 | Very low | 28.3 | Very low | 107 Ų | 107 | 144.8 Ų | 144.8 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | -153.9 | 166.3 | 74.7 | 44.3 | -24 | 0 | 0 | 0 | 118.3 | |||||
| 192 | D | 27.6 | Very low | 28.2 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | 88.6 | 106.4 | 148.1 | -52.3 | -24.5 | 0 | 0 | 0 | 123.6 | ||||
| 193 | D | 30.5 | Very low | 28.4 | Very low | 135 Ų | 135 | 141.3 Ų | 141.3 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | 86.4 | 118.9 | 125.2 | -69 | -16.8 | 0 | 0 | 0 | 124.6 | |||||
| 194 | E | 28.2 | Very low | 28.6 | Very low | 175 Ų | 175 | 142.9 Ų | 142.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | 65.1 | 132.2 | 141.7 | -63.5 | -174.8 | 166.7 | 0 | 0 | 119.2 | ||||
| 195 | S | 29.1 | Very low | 28.5 | Very low | 97 Ų | 97 | 142.2 Ų | 142.2 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | cis | -172.3 | 159.6 | 10 | 39.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 196 | D | 30.2 | Very low | 28.7 | Very low | 157 Ų | 157 | 139 Ų | 139 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | trans | 87.4 | 97.9 | 153 | -59.6 | -12.4 | 0 | 0 | 0 | 122.8 | ||||
| 197 | I | 27.8 | Very low | 28.6 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 80% | 0.795 | 77% | 0.773 | S | S | * | * | trans | -84.5 | 156.2 | 155 | -48.1 | 163.1 | 0 | 0 | 0 | 107.1 | ||||
| 198 | P | 30 | Very low | 28.6 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | -146.3 | 137.8 | 91.5 | 26.3 | -3.3 | 0 | 0 | 0 | 117 | |||||
| 199 | E | 27.2 | Very low | 28.6 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | 80.8 | 108.8 | 125.8 | -63.6 | 176.2 | 178.7 | 0 | 0 | 122.2 | |||||
| 200 | T | 30.2 | Very low | 28.6 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | trans | -63.1 | 166.5 | 148.2 | 48.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 201 | P | 35.4 | Very low | 28.4 | Very low | 102 Ų | 102 | 136.5 Ų | 136.5 | 66% | 0.662 | 79% | 0.788 | S | S | * | * | -162.7 | 165.2 | 57 | 41.2 | -16.1 | 0 | 0 | 0 | 122.2 | |||||
| 202 | Q | 25.8 | Very low | 27.9 | Very low | 194 Ų | 194 | 139.6 Ų | 139.6 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | trans | 77.2 | 129.7 | 135.8 | -80.1 | 169.4 | 10 | 0 | 0 | 123.2 | ||||
| 203 | G | 30 | Very low | 27.7 | Very low | 72 Ų | 72 | 140.8 Ų | 140.8 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | 172.1 | 63.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 204 | N | 29.8 | Very low | 27.4 | Very low | 165 Ų | 165 | 140.1 Ų | 140.1 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | 67.4 | 126.4 | 146.5 | -69.2 | -5 | 0 | 0 | 0 | 125.9 | ||||
| 205 | D | 25.2 | Very low | 27.2 | Very low | 158 Ų | 158 | 142.8 Ų | 142.8 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | -48.6 | 150.9 | 160.3 | -71 | -49.9 | 0 | 0 | 0 | 118.5 | ||||
| 206 | S | 30.1 | Very low | 26.9 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | -162.4 | 121.5 | 122 | 62.9 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 207 | G | 24.5 | Very low | 26.6 | Very low | 70 Ų | 70 | 148.9 Ų | 148.9 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | -84.2 | -178.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 208 | L | 25.8 | Very low | 26.6 | Very low | 172 Ų | 172 | 149.7 Ų | 149.7 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | trans | -168.1 | 153.3 | 151.7 | -100.5 | 166.8 | 0 | 0 | 0 | 111.9 | ||||
| 209 | N | 24.3 | Very low | 26.5 | Very low | 141 Ų | 141 | 150 Ų | 150 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | trans | -70.3 | 165.5 | -160.6 | -67.2 | -45.5 | 0 | 0 | 0 | 118.5 | ||||
| 210 | P | 26.8 | Very low | 26.5 | Very low | 126 Ų | 126 | 149.5 Ų | 149.5 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -88.8 | 141.1 | 172.5 | 35.1 | -30.1 | 0 | 0 | 0 | 112.8 | ||||
| 211 | I | 24.6 | Very low | 26.3 | Very low | 165 Ų | 165 | 151.2 Ų | 151.2 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -108.9 | 130 | 175.8 | -64.3 | 173.3 | 0 | 0 | 0 | 109.7 | ||||
| 212 | H | 23.7 | Very low | 25.8 | Very low | 172 Ų | 172 | 152.8 Ų | 152.8 | 80% | 0.796 | 81% | 0.808 | S | S | * | * | trans | -72.6 | 145.1 | 171.6 | -93.3 | -95.7 | 0 | 0 | 0 | 112.8 | ||||
| 213 | L | 23.2 | Very low | 25.8 | Very low | 164 Ų | 164 | 148.5 Ų | 148.5 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | -141.9 | 118.1 | 150.9 | -87 | 170.1 | 0 | 0 | 0 | 110.9 | ||||
| 214 | N | 22.5 | Very low | 25.6 | Very low | 122 Ų | 122 | 151.3 Ų | 151.3 | 65% | 0.652 | 80% | 0.802 | S | S | * | * | trans | -82.5 | 146.5 | 168.1 | -93.2 | -13.6 | 0 | 0 | 0 | 110.3 | ||||
| 215 | Y | 24.5 | Very low | 25.3 | Very low | 230 Ų | 230 | 148.2 Ų | 148.2 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -137.4 | 120 | 144.8 | -91.7 | -79.5 | 0 | 0 | 0 | 109.5 | ||||
| 216 | N | 22.7 | Very low | 25.4 | Very low | 138 Ų | 138 | 146.4 Ų | 146.4 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | trans | -77.9 | 138.6 | 177.8 | -75.6 | -19 | 0 | 0 | 0 | 111.2 | ||||
| 217 | Y | 25.6 | Very low | 25.2 | Very low | 244 Ų | 244 | 151 Ų | 151 | 96% | 0.957 | 80% | 0.801 | S | S | * | * | trans | -154.1 | 115.8 | 140.5 | -109.6 | -82.1 | 0 | 0 | 0 | 108.6 | ||||
| 218 | E | 25.9 | Very low | 25.3 | Very low | 172 Ų | 172 | 157.6 Ų | 157.6 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -84.5 | 154.5 | 168.3 | -106.5 | -173.4 | -174.3 | 0 | 0 | 109.6 | ||||
| 219 | P | 29.3 | Very low | 25.3 | Very low | 115 Ų | 115 | 161.8 Ų | 161.8 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | -151.5 | 153.5 | 70.4 | 37.6 | -16 | 0 | 0 | 0 | 119.7 | |||||
| 220 | Q | 26.9 | Very low | 25.5 | Very low | 167 Ų | 167 | 158.4 Ų | 158.4 | 78% | 0.78 | 81% | 0.812 | S | S | * | * | trans | 48.9 | 117.1 | 137.8 | -72.6 | 179.6 | -31.2 | 0 | 0 | 124 | ||||
| 221 | E | 26.2 | Very low | 25.5 | Very low | 166 Ų | 166 | 158 Ų | 158 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | 45.1 | 142.6 | 125.6 | -65.9 | -166 | 163.1 | 0 | 0 | 121.3 | |||||
| 222 | I | 25 | Very low | 25.8 | Very low | 136 Ų | 136 | 155 Ų | 155 | 70% | 0.697 | 80% | 0.802 | S | S | * | * | cis | -165.9 | 140.5 | -3.1 | -92.1 | 155.9 | 0 | 0 | 0 | 104.2 | ||||
| 223 | S | 25.7 | Very low | 26 | Very low | 103 Ų | 103 | 151.9 Ų | 151.9 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | 165.6 | 110.7 | 126.1 | -162.2 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 224 | T | 24.7 | Very low | 26.4 | Very low | 132 Ų | 132 | 150.4 Ų | 150.4 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | 30.2 | 128 | 146.3 | 58.5 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 225 | A | 24.8 | Very low | 26.8 | Very low | 99 Ų | 99 | 149.9 Ų | 149.9 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 98.3 | 151.4 | 152.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 226 | P | 27.4 | Very low | 27 | Very low | 121 Ų | 121 | 144.4 Ų | 144.4 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | -118.6 | 164.5 | -51.5 | 35.1 | -21.6 | 0 | 0 | 0 | 112.3 | K228 | P226-K228 PolarHBondContact O-N 2.8Š| |||
| 227 | K | 26.3 | Very low | 27.5 | Very low | 215 Ų | 215 | 144.6 Ų | 144.6 | 94% | 0.935 | 78% | 0.779 | S | S | * | * | trans | -43.2 | 116.2 | -178.1 | -68.8 | 172.4 | 175.8 | 175 | 0 | 114.6 | ||||
| 228 | K | 26.4 | Very low | 28.3 | Very low | 209 Ų | 209 | 139 Ų | 139 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | trans | -131.4 | 131.9 | 156.1 | -90.6 | -173.6 | 176.8 | -179.6 | 0 | 111 | P226 | P226-K228 PolarHBondContact O-N 2.8Š| ||
| 229 | R | 24.7 | Very low | 29.5 | Very low | 260 Ų | 260 | 132.2 Ų | 132.2 | 98% | 0.981 | 75% | 0.752 | S | S | * | * | trans | -56 | 144.7 | -179.5 | -73.2 | 172.8 | 171.5 | 174.3 | -4 | 112 | ||||
| 230 | G | 28 | Very low | 31.1 | Very low | 70 Ų | 70 | 130.8 Ų | 130.8 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | trans | 135 | 34.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | V232 | G230-V232 PolarHBondContact O-N 3.07Š| ||
| 231 | S | 27.3 | Very low | 33.1 | Very low | 119 Ų | 119 | 122.8 Ų | 122.8 | 83% | 0.832 | 70% | 0.695 | S | S | * | * | trans | -77.6 | 100.5 | 162.8 | 59.5 | 0 | 0 | 0 | 0 | 108.8 | S233 | S231-S233 PolarHBondContact O-N 3.19Å; S231-S233 VanDerWaalsContact O-N 3.15Å | ||
| 232 | V | 30.8 | Very low | 35.8 | Very low | 101 Ų | 101 | 122.6 Ų | 122.6 | 61% | 0.612 | 69% | 0.687 | S | S | * | * | trans | -69.8 | 104.8 | 170.1 | 179.7 | 0 | 0 | 0 | 0 | 107.7 | G230 | G230-V232 PolarHBondContact O-N 3.07Š| ||
| 233 | S | 27.6 | Very low | 38.8 | Very low | 106 Ų | 106 | 117.5 Ų | 117.5 | 74% | 0.741 | 66% | 0.661 | S | S | * | * | trans | -79.6 | 123.8 | 166.8 | 48.1 | 0 | 0 | 0 | 0 | 108.9 | S231 S235 | S231-S233 PolarHBondContact O-N 3.19Å; S231-S233 VanDerWaalsContact O-N 3.15Å; S233-S235 PolarHBondContact O-N 3.18Å | ||
| 234 | F | 32.8 | Very low | 41.7 | Very low | 134 Ų | 134 | 114.4 Ų | 114.4 | 59% | 0.588 | 64% | 0.636 | S | S | * | * | trans | -76.3 | 100.5 | 174.5 | -63.7 | -84.2 | 0 | 0 | 0 | 108.7 | C123 | C123-F234 HydrophobicContact CB-CE1 4.4Š| ||
| 235 | S | 29.6 | Very low | 44.8 | Very low | 110 Ų | 110 | 108.7 Ų | 108.7 | 77% | 0.769 | 60% | 0.602 | S | S | * | * | trans | -82 | 120.1 | 166 | 62.6 | 0 | 0 | 0 | 0 | 109.2 | S233 N237 | S233-S235 PolarHBondContact O-N 3.18Å; S235-N237 PolarHBondContact O-N 3.43Å; S235-N237 VanDerWaalsContact O-N 3.07Å | ||
| 236 | N | 30 | Very low | 47.9 | Very low | 115 Ų | 115 | 107.5 Ų | 107.5 | 62% | 0.615 | 58% | 0.58 | S | S | * | * | trans | -66 | 100.7 | 171.3 | -85.8 | -13.8 | 0 | 0 | 0 | 109.2 | Y240 | N236-Y240 PolarHBondContact OD1-OH 2.83Š| ||
| 237 | N | 33.2 | Very low | 51 | Low | 143 Ų | 143 | 101.9 Ų | 101.9 | 77% | 0.765 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -157.6 | 119.8 | 150.6 | -103.1 | -16.6 | 0 | 0 | 0 | 111.6 | S235 G239 | S235-N237 PolarHBondContact O-N 3.43Å; S235-N237 VanDerWaalsContact O-N 3.07Å; N237-G239 PolarHBondContact O-N 2.88Å |
| 238 | S | 41.4 | Very low | 54.1 | Low | 126 Ų | 126 | 95 Ų | 95 | 88% | 0.881 | 52% | 0.517 | S | S | * | . | S | Bend | trans | 52.9 | 7.3 | 156.7 | 65.4 | 0 | 0 | 0 | 0 | 122.7 | ||
| 239 | G | 50.8 | Low | 57.2 | Low | 30 Ų | 30 | 89.8 Ų | 89.8 | 31% | 0.309 | 50% | 0.499 | S | S | . | . | trans | -91.7 | -10.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | L122 N237 | L122-G239 WeakPolarHBondContact CD2-O 3.5Å; N237-G239 PolarHBondContact O-N 2.88Å | ||
| 240 | Y | 63.8 | Low | 60.5 | Low | 84 Ų | 84 | 77.4 Ų | 77.4 | 33% | 0.329 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -64.4 | 153.5 | -166.2 | -53.4 | -73.9 | 0 | 0 | 0 | 114.8 | F124 N236 R242 | F124-Y240 HydrophobicContact CB-CD1 4.07Å; N236-Y240 PolarHBondContact OD1-OH 2.83Å; Y240-R242 PolarHBondContact O-N 2.56Å |
| 241 | G | 68.7 | Low | 63.5 | Low | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 120.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | L243 | G241-L243 PolarHBondContact O-N 3.39Š|
| 242 | R | 82.7 | Confident | 66.4 | Low | 162 Ų | 162 | 71.8 Ų | 71.8 | 61% | 0.611 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 121.9 | -174.4 | 177.9 | -176.3 | 179.4 | 177.6 | 2.6 | 109.6 | W168 Q169 Y240 L244 | W168-R242 CarbonylContact C-O 3.59Å; W168-R242 WeakPolarHBondContact CA-O 3.22Å; Q169-R242 HydrophobicContact CB-CB 4.34Å; Q169-R242 PolarHBondContact N-O 3.45Å; Q169-R242 PolarHBondContact O-N 3.1Å; Y240-R242 PolarHBondContact O-N 2.56Å; R242-L244 PolarHBondContact O-N 2.86Å |
| 243 | L | 87.4 | Confident | 69 | Low | 28 Ų | 28 | 73 Ų | 73 | 15% | 0.147 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 125.8 | 172.9 | -176 | 69.4 | 0 | 0 | 0 | 110 | P133 A137 A166 W168 G241 M246 | P133-L243 HydrophobicContact CB-CD2 4.24Å; P133-L243 WeakPolarHBondContact O-CD2 3.2Å; A137-L243 HydrophobicContact CB-CD1 4.15Å; A137-L243 HydrophobicContact CB-CD2 3.95Å; A166-L243 HydrophobicContact CB-CD1 3.83Å; W168-L243 HydrophobicContact CD2-CD1 4.11Å; W168-L243 HydrophobicContact CE3-CB 3.96Å; W168-L243 HydrophobicContact CE3-CD1 4.01Å; W168-L243 HydrophobicContact CH2-CD1 4.09Å; W168-L243 HydrophobicContact CZ2-CD1 4.15Å; W168-L243 HydrophobicContact CZ3-CB 3.87Å; W168-L243 HydrophobicContact CZ3-CD1 4.02Å; W168-L243 HydrophobicContact CZ3-CG 4.48Å; G241-L243 PolarHBondContact O-N 3.39Å; L243-M246 HydrophobicContact CD1-CG 4.47Å; L243-M246 HydrophobicContact CD2-CG 4.18Å; L243-M246 HydrophobicContact CD2-SD 4.47Å |
| 244 | L | 87.2 | Confident | 71.6 | Confident | 38 Ų | 38 | 70.4 Ų | 70.4 | 20% | 0.199 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -46.5 | 178.4 | -66.2 | -177.3 | 0 | 0 | 0 | 112.5 | L155 V167 Q169 R242 M290 | L155-L244 HydrophobicContact CD2-CD1 3.39Å; V167-L244 WeakPolarHBondContact O-CB 3.39Å; V167-L244 PolarHBondContact O-N 3.19Å; Q169-L244 HydrophobicContact CB-CD1 3.96Å; Q169-L244 HydrophobicContact CB-CD2 3.99Å; Q169-L244 HydrophobicContact CB-CG 3.92Å; R242-L244 PolarHBondContact O-N 2.86Å; L244-M290 HydrophobicContact CB-CB 4.13Å; L244-M290 HydrophobicContact CB-CE 3.93Å; L244-M290 HydrophobicContact CB-SD 4.48Å; L244-M290 HydrophobicContact CD1-CE 3.74Å; L244-M290 HydrophobicContact CD1-SD 3.8Å |
| 245 | C | 89.7 | Confident | 74.3 | Confident | 13 Ų | 13 | 65.6 Ų | 65.6 | 9% | 0.088 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 161 | -180 | 71.2 | 0 | 0 | 0 | 0 | 111.9 | V167 M290 | V167-C245 PolarHBondContact N-O 2.92Å; C245-M290 VanDerWaalsContact CB-O 3.26Å; C245-M290 WeakPolarHBondContact CB-O 3.38Å |
| 246 | M | 90.5 | Very high | 77.2 | Confident | 73 Ų | 73 | 60.4 Ų | 60.4 | 36% | 0.36 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 143.7 | 169 | -57.7 | -163.5 | -52.3 | 0 | 0 | 109.6 | A137 I165 L243 | A137-M246 HydrophobicContact CB-SD 4.08Å; I165-M246 CarbonylContact O-C 3.55Å; I165-M246 WeakPolarHBondContact O-CA 3.44Å; L243-M246 HydrophobicContact CD1-CG 4.47Å; L243-M246 HydrophobicContact CD2-CG 4.18Å; L243-M246 HydrophobicContact CD2-SD 4.47Å |
| 247 | V | 92.5 | Very high | 80.1 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.018 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 110.5 | 173.7 | -175.2 | 0 | 0 | 0 | 0 | 107.4 | I165 D249 A250 L281 F283 | I165-V247 HydrophobicContact CB-CB 4.27Å; I165-V247 PolarHBondContact N-O 3.3Å; I165-V247 PolarHBondContact O-N 3.01Å; V247-D249 VanDerWaalsContact CG1-OD1 3.29Å; V247-D249 WeakPolarHBondContact CG1-OD1 3.1Å; V247-A250 HydrophobicContact CG1-CB 3.72Å; V247-L281 HydrophobicContact CG1-CD2 3.97Å; V247-F283 HydrophobicContact CG2-CE1 4.41Å |
| 248 | D | 91.3 | Very high | 82.8 | Confident | 71 Ų | 71 | 48.6 Ų | 48.6 | 38% | 0.38 | 28% | 0.278 | S | S | . | . | trans | -109.2 | -1.6 | -176.3 | -74.2 | -18.2 | 0 | 0 | 0 | 112.3 | R164 H251 | R164-D248 WeakPolarHBondContact CB-OD1 3.3Å; R164-D248 WeakPolarHBondContact CD-OD1 3.4Å; R164-D248 WeakPolarHBondContact CG-OD1 3.12Å; R164-D248 IonicContact CZ-OD1 3.63Å; R164-D248 IonicContact CZ-OD2 3.23Å; R164-D248 IonicContact NE-OD1 3.71Å; R164-D248 PolarHBondContact NE-OD1 2.95Å; R164-D248 IonicContact NE-OD2 3.35Å; R164-D248 PolarHBondContact NE-OD2 3.17Å; R164-D248 IonicContact NH2-OD1 3.02Å; R164-D248 IonicContact NH2-OD2 2.87Å; R164-D248 PolarHBondContact NH2-OD2 3.29Å; D248-H251 PolarHBondContact O-CE1 3.07Å; D248-H251 PolarHBondContact O-ND1 3.26Å | ||
| 249 | D | 92.1 | Very high | 85.3 | Confident | 99 Ų | 99 | 42.9 Ų | 42.9 | 53% | 0.529 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -110.9 | 1.7 | -173.9 | 61 | -5.8 | 0 | 0 | 0 | 114 | V247 H251 S294 | V247-D249 VanDerWaalsContact CG1-OD1 3.29Å; V247-D249 WeakPolarHBondContact CG1-OD1 3.1Å; D249-H251 VanDerWaalsContact C-N 3.27Å; D249-H251 PolarHBondContact O-N 2.79Å; D249-S294 WeakPolarHBondContact OD1-CB 3.34Å; D249-S294 PolarHBondContact OD1-OG 3.08Å; D249-S294 PolarHBondContact OD2-OG 3.26Å |
| 250 | A | 92.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -89.4 | 39 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | I165 V247 I257 F279 L281 | I165-A250 HydrophobicContact CD1-CB 4.29Å; V247-A250 HydrophobicContact CG1-CB 3.72Å; A250-I257 VanDerWaalsContact O-CD1 3.3Å; A250-I257 WeakPolarHBondContact O-CD1 3.25Å; A250-F279 HydrophobicContact CB-CB 4.17Å; A250-F279 HydrophobicContact CB-CD1 4.35Å; A250-F279 HydrophobicContact CB-CG 4.2Å; A250-F279 VanDerWaalsContact O-CD2 3.29Å; A250-F279 WeakPolarHBondContact O-CD2 3.4Å; A250-F279 WeakPolarHBondContact O-CE2 3.39Å; A250-L281 HydrophobicContact CB-CD2 3.62Å |
| 251 | H | 92.4 | Very high | 88.8 | Confident | 49 Ų | 49 | 38.6 Ų | 38.6 | 23% | 0.227 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -157.5 | 153.4 | -177.3 | 68.7 | -36.9 | 0 | 0 | 0 | 111.3 | G163 D248 D249 H255 I257 D273 | G163-H251 VanDerWaalsContact CA-CD2 3.47Å; G163-H251 WeakPolarHBondContact CA-CD2 3.47Å; D248-H251 PolarHBondContact O-CE1 3.07Å; D248-H251 PolarHBondContact O-ND1 3.26Å; D249-H251 VanDerWaalsContact C-N 3.27Å; D249-H251 PolarHBondContact O-N 2.79Å; H251-H255 PolarHBondContact CD2-O 2.77Å; H251-H255 VanDerWaalsContact CD2-O 3.24Å; H251-I257 HydrophobicContact CB-CD1 3.9Å; H251-D273 HydrophobicContact CB-CB 4.27Å |
| 252 | G | 86.3 | Confident | 90 | Very high | 23 Ų | 23 | 39 Ų | 39 | 24% | 0.237 | 22% | 0.217 | C | C | . | . | trans | -70.2 | 154.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G254 H255 D273 | G252-G254 PolarHBondContact O-N 3.21Å; G252-H255 WeakPolarHBondContact O-CB 3.45Å; G252-H255 PolarHBondContact O-N 2.89Å; G252-D273 PolarHBondContact N-OD2 2.85Å | ||
| 253 | V | 85.4 | Confident | 90.5 | Very high | 127 Ų | 127 | 31.4 Ų | 31.4 | 77% | 0.77 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 114.1 | -178.2 | 179.4 | 0 | 0 | 0 | 0 | 111.4 | K513 | V253-K513 PolarHBondContact O-NZ 2.87Š|
| 254 | G | 83.8 | Confident | 90.5 | Very high | 51 Ų | 51 | 30.7 Ų | 30.7 | 53% | 0.526 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 16.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | G252 | G252-G254 PolarHBondContact O-N 3.21Š|
| 255 | H | 89.4 | Confident | 90.5 | Very high | 32 Ų | 32 | 30 Ų | 30 | 15% | 0.148 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -102.7 | 130.6 | 172.3 | -71.9 | -77.7 | 0 | 0 | 0 | 111 | H251 G252 D273 T274 G275 K513 | H251-H255 PolarHBondContact CD2-O 2.77Å; H251-H255 VanDerWaalsContact CD2-O 3.24Å; G252-H255 WeakPolarHBondContact O-CB 3.45Å; G252-H255 PolarHBondContact O-N 2.89Å; H255-D273 HydrophobicContact CB-CB 4.02Å; H255-T274 WeakPolarHBondContact CA-OG1 3.47Å; H255-T274 VanDerWaalsContact CB-OG1 3.31Å; H255-T274 WeakPolarHBondContact CB-OG1 3.47Å; H255-T274 PolarHBondContact ND1-OG1 3.41Å; H255-G275 PolarHBondContact ND1-N 2.83Å; H255-K513 PolarHBondContact CE1-O 2.94Å |
| 256 | S | 89.7 | Confident | 90.1 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 156.8 | 169.1 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | S161 D273 T274 | S161-S256 WeakPolarHBondContact CA-OG 3.47Å; S161-S256 WeakPolarHBondContact O-CA 3.46Å; S161-S256 WeakPolarHBondContact O-CB 3.45Å; S161-S256 PolarHBondContact O-OG 3.49Å; S256-D273 CarbonylContact O-C 3.58Å; S256-D273 VanDerWaalsContact O-CA 3.3Å; S256-D273 WeakPolarHBondContact O-CA 3.02Å; S256-T274 PolarHBondContact N-OG1 3.36Å; S256-T274 VanDerWaalsContact N-OG1 3.08Å; S256-T274 WeakPolarHBondContact O-CG2 3.34Å; S256-T274 PolarHBondContact O-N 3.07Å; S256-T274 PolarHBondContact O-OG1 2.96Å |
| 257 | I | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 125.4 | 162.5 | -57.2 | -56.1 | 0 | 0 | 0 | 109 | T145 A159 G163 I165 A250 H251 L259 C260 C271 | T145-I257 WeakPolarHBondContact CB-O 3.3Å; T145-I257 PolarHBondContact OG1-O 2.8Å; A159-I257 HydrophobicContact CB-CB 3.73Å; A159-I257 HydrophobicContact CB-CG1 4.23Å; A159-I257 HydrophobicContact CB-CG2 3.58Å; G163-I257 WeakPolarHBondContact O-CG1 3.36Å; I165-I257 HydrophobicContact CD1-CD1 4.14Å; I165-I257 HydrophobicContact CD1-CG1 4.07Å; I165-I257 HydrophobicContact CG1-CD1 4.47Å; I165-I257 HydrophobicContact CG1-CG1 3.93Å; A250-I257 VanDerWaalsContact O-CD1 3.3Å; A250-I257 WeakPolarHBondContact O-CD1 3.25Å; H251-I257 HydrophobicContact CB-CD1 3.9Å; I257-L259 WeakPolarHBondContact CG2-O 3.31Å; I257-C260 HydrophobicContact CG2-CB 4.2Å; I257-C271 HydrophobicContact CG2-CB 4.2Å |
| 258 | S | 90.2 | Very high | 89.9 | Confident | 9 Ų | 9 | 32.2 Ų | 32.2 | 6% | 0.063 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | -33.2 | 179.4 | 60.7 | 0 | 0 | 0 | 0 | 112.5 | V146 V272 D273 H528 | V146-S258 WeakPolarHBondContact CG2-O 3.47Å; S258-V272 PolarHBondContact N-O 2.9Å; S258-V272 PolarHBondContact OG-O 2.98Å; S258-V272 VanDerWaalsContact OG-O 3.07Å; S258-D273 PolarHBondContact OG-O 3.04Å; S258-H528 PolarHBondContact O-CE1 3.17Å; S258-H528 PolarHBondContact O-NE2 2.93Å |
| 259 | L | 93.5 | Very high | 90.1 | Very high | 7 Ų | 7 | 28.8 Ų | 28.8 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 142.9 | -177.3 | -49.3 | 169.5 | 0 | 0 | 0 | 109.7 | I257 C271 V272 M308 M527 | I257-L259 WeakPolarHBondContact CG2-O 3.31Å; L259-C271 CarbonylContact O-C 3.58Å; L259-C271 WeakPolarHBondContact O-CA 3.45Å; L259-C271 WeakPolarHBondContact O-CB 3.46Å; L259-V272 HydrophobicContact CB-CB 3.88Å; L259-V272 HydrophobicContact CB-CG2 3.98Å; L259-V272 HydrophobicContact CD1-CB 3.91Å; L259-V272 HydrophobicContact CD1-CG1 4.35Å; L259-V272 HydrophobicContact CD1-CG2 3.86Å; L259-V272 HydrophobicContact CG-CB 4.13Å; L259-V272 HydrophobicContact CG-CG2 4.4Å; L259-V272 PolarHBondContact N-O 2.77Å; L259-V272 PolarHBondContact O-N 2.94Å; L259-M308 HydrophobicContact CB-CB 4.39Å; L259-M308 HydrophobicContact CB-CE 3.84Å; L259-M308 HydrophobicContact CD1-CB 3.81Å; L259-M527 HydrophobicContact CD2-CE 3.01Å; L259-M527 HydrophobicContact CD2-SD 3.55Å; L259-M527 VanDerWaalsContact CD2-SD 3.55Å; L259-M527 HydrophobicContact CG-CE 4.46Å |
| 260 | C | 94.1 | Very high | 90.3 | Very high | 11 Ų | 11 | 24.1 Ų | 24.1 | 7% | 0.074 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 128.5 | -179.9 | -154.2 | 0 | 0 | 0 | 0 | 110.2 | V146 S148 M157 A159 I257 A270 C271 | V146-C260 HydrophobicContact CB-CB 3.99Å; V146-C260 HydrophobicContact CG1-CB 3.75Å; V146-C260 HydrophobicContact CG2-CB 4.4Å; S148-C260 WeakPolarHBondContact CB-O 3.39Å; M157-C260 HydrophobicContact CE-CB 4.22Å; M157-C260 WeakPolarHBondContact CE-SG 3.3Å; M157-C260 PolarHBondContact SD-SG 3.05Å; A159-C260 HydrophobicContact CB-CB 4.49Å; I257-C260 HydrophobicContact CG2-CB 4.2Å; C260-A270 WeakPolarHBondContact CA-O 3.44Å; C260-C271 HydrophobicContact CB-CB 4.3Å |
| 261 | C | 94.1 | Very high | 90.4 | Very high | 12 Ų | 12 | 24.1 Ų | 24.1 | 8% | 0.081 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 146.1 | -178.3 | 70.6 | 0 | 0 | 0 | 0 | 113.8 | S148 A269 A270 M308 P310 | S148-C261 WeakPolarHBondContact OG-CA 3.45Å; C261-A269 CarbonylContact O-C 3.5Å; C261-A269 VanDerWaalsContact O-CA 3.22Å; C261-A269 WeakPolarHBondContact O-CA 3.3Å; C261-A269 WeakPolarHBondContact O-CB 3.25Å; C261-A270 PolarHBondContact N-O 2.77Å; C261-A270 PolarHBondContact O-N 2.95Å; C261-M308 HydrophobicContact CB-CE 4.48Å; C261-P310 HydrophobicContact CB-CG 3.78Å; C261-P310 VanDerWaalsContact SG-CD 3.57Å |
| 262 | F | 93.2 | Very high | 90.5 | Very high | 10 Ų | 10 | 21.8 Ų | 21.8 | 4% | 0.044 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 143.8 | 165 | -74.2 | -77.6 | 0 | 0 | 0 | 110.9 | S148 N150 L155 M157 V167 A269 F283 P310 | S148-F262 WeakPolarHBondContact O-CE2 3.41Å; S148-F262 PolarHBondContact OG-N 2.83Å; N150-F262 HydrophobicContact CB-CB 4.23Å; N150-F262 HydrophobicContact CB-CD1 4.14Å; N150-F262 HydrophobicContact CB-CD2 3.89Å; N150-F262 HydrophobicContact CB-CE1 4.47Å; N150-F262 HydrophobicContact CB-CE2 4.21Å; N150-F262 HydrophobicContact CB-CG 3.83Å; N150-F262 HydrophobicContact CB-CZ 4.5Å; N150-F262 VanDerWaalsContact N-CD2 3.33Å; L155-F262 HydrophobicContact CB-CE1 4.38Å; L155-F262 HydrophobicContact CB-CE2 4.29Å; L155-F262 HydrophobicContact CB-CZ 3.8Å; L155-F262 HydrophobicContact CD1-CE1 4.31Å; L155-F262 HydrophobicContact CD1-CZ 4.48Å; M157-F262 HydrophobicContact CB-CD2 4.38Å; M157-F262 HydrophobicContact CB-CE2 3.49Å; M157-F262 VanDerWaalsContact CB-CE2 3.49Å; M157-F262 HydrophobicContact CB-CZ 3.73Å; M157-F262 HydrophobicContact CE-CD2 4.22Å; M157-F262 HydrophobicContact CE-CE2 4.23Å; M157-F262 HydrophobicContact CE-CZ 4.49Å; V167-F262 HydrophobicContact CG1-CZ 4.37Å; F262-A269 HydrophobicContact CD1-CB 4.05Å; F262-A269 HydrophobicContact CE1-CB 4.46Å; F262-F283 HydrophobicContact CD1-CE2 4.36Å; F262-F283 HydrophobicContact CE1-CD2 4.21Å; F262-F283 AromaticContact CE1-CE2 3.69Å; F262-F283 HydrophobicContact CE1-CE2 3.69Å; F262-P310 WeakPolarHBondContact O-CB 3.49Å; F262-P310 VanDerWaalsContact O-CG 3.29Å; F262-P310 WeakPolarHBondContact O-CG 3.16Å |
| 263 | T | 92.7 | Very high | 90.8 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | trans | -86.4 | -177.9 | 173.8 | 71.8 | 0 | 0 | 0 | 0 | 111.5 | V265 L268 A343 L358 | T263-V265 PolarHBondContact O-N 2.84Å; T263-V265 PolarHBondContact OG1-N 2.81Å; T263-V265 VanDerWaalsContact OG1-N 3.13Å; T263-V265 PolarHBondContact OG1-O 3.3Å; T263-V265 VanDerWaalsContact OG1-O 3.05Å; T263-L268 WeakPolarHBondContact CB-O 3.3Å; T263-L268 HydrophobicContact CG2-CD2 4.07Å; T263-L268 WeakPolarHBondContact CG2-O 3.43Å; T263-L268 PolarHBondContact N-O 3.11Å; T263-L268 PolarHBondContact OG1-O 3.1Å; T263-A343 HydrophobicContact CG2-CB 4.42Å; T263-L358 HydrophobicContact CG2-CD1 3.92Å | ||
| 264 | T | 87.9 | Confident | 91 | Very high | 13 Ų | 13 | 14.8 Ų | 14.8 | 8% | 0.08 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -57.3 | -23.9 | 168.2 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | L311 S340 A343 W384 | T264-L311 HydrophobicContact CG2-CB 4.31Å; T264-L311 HydrophobicContact CG2-CD2 4.48Å; T264-L311 HydrophobicContact CG2-CG 4.38Å; T264-L311 WeakPolarHBondContact CG2-O 3.23Å; T264-S340 WeakPolarHBondContact CB-O 3.36Å; T264-S340 PolarHBondContact OG1-O 3.03Å; T264-A343 WeakPolarHBondContact OG1-CA 3.4Å; T264-W384 HydrophobicContact CG2-CZ3 4.25Å |
| 265 | V | 87.6 | Confident | 91.2 | Very high | 22 Ų | 22 | 13 Ų | 13 | 13% | 0.133 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -97 | 113.7 | 175.5 | -178.8 | 0 | 0 | 0 | 0 | 108.6 | T263 S267 L268 A343 | T263-V265 PolarHBondContact O-N 2.84Å; T263-V265 PolarHBondContact OG1-N 2.81Å; T263-V265 VanDerWaalsContact OG1-N 3.13Å; T263-V265 PolarHBondContact OG1-O 3.3Å; T263-V265 VanDerWaalsContact OG1-O 3.05Å; V265-S267 WeakPolarHBondContact CG1-OG 3.35Å; V265-S267 PolarHBondContact O-N 2.85Å; V265-S267 VanDerWaalsContact O-N 3.07Å; V265-L268 HydrophobicContact CB-CB 4.15Å; V265-L268 HydrophobicContact CG1-CB 4.25Å; V265-L268 PolarHBondContact O-N 2.91Å; V265-A343 HydrophobicContact CG2-CB 4.14Å |
| 266 | S | 81.7 | Confident | 91.3 | Very high | 71 Ų | 71 | 11.4 Ų | 11.4 | 50% | 0.497 | 8% | 0.077 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -22.9 | -173.4 | 56.1 | 0 | 0 | 0 | 0 | 115.5 | L268 | S266-L268 VanDerWaalsContact C-N 3.28Š|
| 267 | S | 86.5 | Confident | 91.5 | Very high | 50 Ų | 50 | 12.3 Ų | 12.3 | 35% | 0.35 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 3.2 | 175.3 | 57.6 | 0 | 0 | 0 | 0 | 113.9 | V265 F283 | V265-S267 WeakPolarHBondContact CG1-OG 3.35Å; V265-S267 PolarHBondContact O-N 2.85Å; V265-S267 VanDerWaalsContact O-N 3.07Å; S267-F283 WeakPolarHBondContact CB-O 3.41Å; S267-F283 PolarHBondContact O-N 3.45Å |
| 268 | L | 91.8 | Very high | 91.7 | Very high | 15 Ų | 15 | 12.3 Ų | 12.3 | 8% | 0.079 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 126.9 | -171.2 | -144 | 140.4 | 0 | 0 | 0 | 109.9 | T263 V265 S266 Q280 L281 L358 | T263-L268 WeakPolarHBondContact CB-O 3.3Å; T263-L268 HydrophobicContact CG2-CD2 4.07Å; T263-L268 WeakPolarHBondContact CG2-O 3.43Å; T263-L268 PolarHBondContact N-O 3.11Å; T263-L268 PolarHBondContact OG1-O 3.1Å; V265-L268 HydrophobicContact CB-CB 4.15Å; V265-L268 HydrophobicContact CG1-CB 4.25Å; V265-L268 PolarHBondContact O-N 2.91Å; S266-L268 VanDerWaalsContact C-N 3.28Å; L268-Q280 HydrophobicContact CD2-CG 4.03Å; L268-Q280 HydrophobicContact CG-CG 4.49Å; L268-L281 WeakPolarHBondContact CA-O 3.41Å; L268-L358 HydrophobicContact CD2-CB 3.83Å; L268-L358 HydrophobicContact CD2-CD1 3.51Å; L268-L358 HydrophobicContact CD2-CG 4.3Å |
| 269 | A | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 170.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | M157 C261 F262 L281 F283 | M157-A269 HydrophobicContact CE-CB 3.86Å; M157-A269 HydrophobicContact SD-CB 4.16Å; C261-A269 CarbonylContact O-C 3.5Å; C261-A269 VanDerWaalsContact O-CA 3.22Å; C261-A269 WeakPolarHBondContact O-CA 3.3Å; C261-A269 WeakPolarHBondContact O-CB 3.25Å; F262-A269 HydrophobicContact CD1-CB 4.05Å; F262-A269 HydrophobicContact CE1-CB 4.46Å; A269-L281 HydrophobicContact CB-CB 4Å; A269-L281 HydrophobicContact CB-CD1 4.36Å; A269-L281 PolarHBondContact N-O 3.29Å; A269-L281 PolarHBondContact O-N 3.18Å; A269-F283 HydrophobicContact CB-CE2 3.68Å; A269-F283 HydrophobicContact CB-CZ 4.2Å |
| 270 | A | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 148.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | C260 C261 F279 M308 L345 | C260-A270 WeakPolarHBondContact CA-O 3.44Å; C261-A270 PolarHBondContact N-O 2.77Å; C261-A270 PolarHBondContact O-N 2.95Å; A270-F279 CarbonylContact C-O 3.59Å; A270-F279 VanDerWaalsContact CA-O 3.24Å; A270-F279 WeakPolarHBondContact CA-O 3.46Å; A270-M308 HydrophobicContact CB-CE 4.28Å; A270-M308 HydrophobicContact CB-SD 3.75Å; A270-M308 WeakPolarHBondContact O-CE 3.5Å; A270-L345 HydrophobicContact CB-CD1 4.37Å; A270-L345 HydrophobicContact CB-CD2 3.57Å |
| 271 | C | 96 | Very high | 92.1 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 153.7 | 171.8 | 65.4 | 0 | 0 | 0 | 0 | 111.3 | I165 I257 L259 C260 V278 F279 L281 | I165-C271 HydrophobicContact CD1-CB 3.86Å; I257-C271 HydrophobicContact CG2-CB 4.2Å; L259-C271 CarbonylContact O-C 3.58Å; L259-C271 WeakPolarHBondContact O-CA 3.45Å; L259-C271 WeakPolarHBondContact O-CB 3.46Å; C260-C271 HydrophobicContact CB-CB 4.3Å; C271-V278 WeakPolarHBondContact O-CA 3.23Å; C271-F279 PolarHBondContact N-O 3.21Å; C271-F279 PolarHBondContact O-N 2.65Å; C271-L281 HydrophobicContact CB-CD1 4.21Å |
| 272 | V | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 133 | 175.3 | -169.1 | 0 | 0 | 0 | 0 | 108 | S258 L259 S277 V278 I305 M308 | S258-V272 PolarHBondContact N-O 2.9Å; S258-V272 PolarHBondContact OG-O 2.98Å; S258-V272 VanDerWaalsContact OG-O 3.07Å; L259-V272 HydrophobicContact CB-CB 3.88Å; L259-V272 HydrophobicContact CB-CG2 3.98Å; L259-V272 HydrophobicContact CD1-CB 3.91Å; L259-V272 HydrophobicContact CD1-CG1 4.35Å; L259-V272 HydrophobicContact CD1-CG2 3.86Å; L259-V272 HydrophobicContact CG-CB 4.13Å; L259-V272 HydrophobicContact CG-CG2 4.4Å; L259-V272 PolarHBondContact N-O 2.77Å; L259-V272 PolarHBondContact O-N 2.94Å; V272-S277 VanDerWaalsContact CA-O 3.29Å; V272-S277 WeakPolarHBondContact CA-O 3.39Å; V272-V278 HydrophobicContact CG1-CG2 4.39Å; V272-V278 HydrophobicContact CG2-CB 4.46Å; V272-V278 HydrophobicContact CG2-CG1 4.09Å; V272-V278 HydrophobicContact CG2-CG2 4Å; V272-I305 HydrophobicContact CG1-CB 4.03Å; V272-I305 HydrophobicContact CG1-CG2 4.14Å; V272-I305 WeakPolarHBondContact CG1-O 3.46Å; V272-I305 HydrophobicContact CG2-CG2 4.15Å; V272-M308 HydrophobicContact CG2-CB 4.12Å; V272-M308 HydrophobicContact CG2-CE 3.87Å; V272-M308 HydrophobicContact CG2-SD 3.65Å |
| 273 | D | 92.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 169.3 | 172.3 | 72.7 | 7.4 | 0 | 0 | 0 | 111.8 | H251 G252 H255 S256 S258 G275 G276 S277 F279 | H251-D273 HydrophobicContact CB-CB 4.27Å; G252-D273 PolarHBondContact N-OD2 2.85Å; H255-D273 HydrophobicContact CB-CB 4.02Å; S256-D273 CarbonylContact O-C 3.58Å; S256-D273 VanDerWaalsContact O-CA 3.3Å; S256-D273 WeakPolarHBondContact O-CA 3.02Å; S258-D273 PolarHBondContact OG-O 3.04Å; D273-G275 PolarHBondContact O-N 3.38Å; D273-G275 WeakPolarHBondContact OD1-CA 3.45Å; D273-G275 PolarHBondContact OD1-N 3.18Å; D273-G275 VanDerWaalsContact OD1-N 3.07Å; D273-G276 PolarHBondContact O-N 3.45Å; D273-G276 PolarHBondContact OD1-N 3.16Å; D273-G276 VanDerWaalsContact OD1-N 3.08Å; D273-S277 PolarHBondContact N-O 3.12Å; D273-S277 WeakPolarHBondContact OD1-CB 3.31Å; D273-S277 PolarHBondContact OD1-N 3.44Å; D273-F279 HydrophobicContact CB-CE2 4.5Å |
| 274 | T | 89.5 | Confident | 91.5 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -12 | 177 | 44.5 | 0 | 0 | 0 | 0 | 113.7 | H255 S256 G276 I514 | H255-T274 WeakPolarHBondContact CA-OG1 3.47Å; H255-T274 VanDerWaalsContact CB-OG1 3.31Å; H255-T274 WeakPolarHBondContact CB-OG1 3.47Å; H255-T274 PolarHBondContact ND1-OG1 3.41Å; S256-T274 PolarHBondContact N-OG1 3.36Å; S256-T274 VanDerWaalsContact N-OG1 3.08Å; S256-T274 WeakPolarHBondContact O-CG2 3.34Å; S256-T274 PolarHBondContact O-N 3.07Å; S256-T274 PolarHBondContact O-OG1 2.96Å; T274-G276 VanDerWaalsContact C-N 3.29Å; T274-I514 HydrophobicContact CG2-CD1 4.01Å |
| 275 | G | 88.1 | Confident | 90.9 | Very high | 13 Ų | 13 | 27.5 Ų | 27.5 | 13% | 0.134 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -1.1 | 170 | 0 | 0 | 0 | 0 | 0 | 113.1 | H255 D273 S277 G300 | H255-G275 PolarHBondContact ND1-N 2.83Å; D273-G275 PolarHBondContact O-N 3.38Å; D273-G275 WeakPolarHBondContact OD1-CA 3.45Å; D273-G275 PolarHBondContact OD1-N 3.18Å; D273-G275 VanDerWaalsContact OD1-N 3.07Å; G275-S277 VanDerWaalsContact C-N 3.34Å; G275-G300 WeakPolarHBondContact O-CA 3.41Å |
| 276 | G | 90.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | 76.3 | 17.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D273 T274 G300 I305 | D273-G276 PolarHBondContact O-N 3.45Å; D273-G276 PolarHBondContact OD1-N 3.16Å; D273-G276 VanDerWaalsContact OD1-N 3.08Å; T274-G276 VanDerWaalsContact C-N 3.29Å; G276-G300 WeakPolarHBondContact O-CA 3.4Å; G276-I305 WeakPolarHBondContact CA-O 3.41Å; G276-I305 PolarHBondContact O-N 3.07Å | ||
| 277 | S | 94 | Very high | 89.2 | Confident | 20 Ų | 20 | 34 Ų | 34 | 14% | 0.14 | 19% | 0.187 | C | C | . | . | trans | -85 | 137.2 | 173.2 | -56.6 | 0 | 0 | 0 | 0 | 110.4 | V272 D273 G275 F298 G300 | V272-S277 VanDerWaalsContact CA-O 3.29Å; V272-S277 WeakPolarHBondContact CA-O 3.39Å; D273-S277 PolarHBondContact N-O 3.12Å; D273-S277 WeakPolarHBondContact OD1-CB 3.31Å; D273-S277 PolarHBondContact OD1-N 3.44Å; G275-S277 VanDerWaalsContact C-N 3.34Å; S277-F298 CarbonylContact C-O 3.53Å; S277-F298 WeakPolarHBondContact CA-O 3.49Å; S277-G300 PolarHBondContact OG-N 3.09Å | ||
| 278 | V | 96.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 128.3 | -177.6 | -164.3 | 0 | 0 | 0 | 0 | 110.4 | C271 V272 F297 F298 I305 M308 L347 | C271-V278 WeakPolarHBondContact O-CA 3.23Å; V272-V278 HydrophobicContact CG1-CG2 4.39Å; V272-V278 HydrophobicContact CG2-CB 4.46Å; V272-V278 HydrophobicContact CG2-CG1 4.09Å; V272-V278 HydrophobicContact CG2-CG2 4Å; V278-F297 HydrophobicContact CB-CE1 4.2Å; V278-F297 HydrophobicContact CB-CE2 4.22Å; V278-F297 HydrophobicContact CB-CZ 3.88Å; V278-F297 HydrophobicContact CG1-CE1 3.62Å; V278-F297 HydrophobicContact CG1-CE2 4.08Å; V278-F297 HydrophobicContact CG1-CZ 3.29Å; V278-F297 PolarHBondContact O-N 3.06Å; V278-F297 VanDerWaalsContact O-N 3.09Å; V278-F298 HydrophobicContact CB-CB 3.93Å; V278-F298 HydrophobicContact CG2-CB 3.96Å; V278-F298 HydrophobicContact CG2-CD1 4.17Å; V278-F298 HydrophobicContact CG2-CG 4.33Å; V278-F298 PolarHBondContact N-O 3.03Å; V278-F298 PolarHBondContact O-N 3.45Å; V278-I305 HydrophobicContact CG2-CB 3.94Å; V278-I305 HydrophobicContact CG2-CG1 3.63Å; V278-I305 HydrophobicContact CG2-CG2 4.09Å; V278-M308 HydrophobicContact CG1-SD 4.31Å; V278-L347 HydrophobicContact CG1-CD2 4.21Å; V278-L347 HydrophobicContact CG2-CD1 4.17Å; V278-L347 HydrophobicContact CG2-CD2 4.29Å |
| 279 | F | 96 | Very high | 87.3 | Confident | 20 Ų | 20 | 40 Ų | 40 | 9% | 0.088 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 133.7 | 179 | -58.7 | -103.6 | 0 | 0 | 0 | 109.6 | A250 A270 C271 D273 M295 C296 | A250-F279 HydrophobicContact CB-CB 4.17Å; A250-F279 HydrophobicContact CB-CD1 4.35Å; A250-F279 HydrophobicContact CB-CG 4.2Å; A250-F279 VanDerWaalsContact O-CD2 3.29Å; A250-F279 WeakPolarHBondContact O-CD2 3.4Å; A250-F279 WeakPolarHBondContact O-CE2 3.39Å; A270-F279 CarbonylContact C-O 3.59Å; A270-F279 VanDerWaalsContact CA-O 3.24Å; A270-F279 WeakPolarHBondContact CA-O 3.46Å; C271-F279 PolarHBondContact N-O 3.21Å; C271-F279 PolarHBondContact O-N 2.65Å; D273-F279 HydrophobicContact CB-CE2 4.5Å; F279-M295 CarbonylContact C-O 3.48Å; F279-M295 WeakPolarHBondContact CA-O 3.16Å; F279-C296 HydrophobicContact CD1-CB 3.65Å; F279-C296 HydrophobicContact CE1-CB 3.57Å; F279-C296 HydrophobicContact CG-CB 4.4Å; F279-C296 HydrophobicContact CZ-CB 4.24Å |
| 280 | Q | 95.5 | Very high | 86.4 | Confident | 21 Ų | 21 | 42 Ų | 42 | 10% | 0.098 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 130.7 | 164.8 | 178.8 | -179.1 | -4.3 | 0 | 0 | 108.4 | L268 S294 M295 F297 | L268-Q280 HydrophobicContact CD2-CG 4.03Å; L268-Q280 HydrophobicContact CG-CG 4.49Å; Q280-S294 CarbonylContact O-C 3.55Å; Q280-S294 WeakPolarHBondContact O-CA 3.35Å; Q280-M295 HydrophobicContact CB-CE 4.3Å; Q280-M295 PolarHBondContact N-O 2.84Å; Q280-M295 PolarHBondContact O-N 3.13Å; Q280-F297 HydrophobicContact CB-CD1 3.78Å; Q280-F297 HydrophobicContact CB-CE1 3.99Å |
| 281 | L | 94.8 | Very high | 85.8 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 123.8 | 175.1 | -57.2 | -180 | 0 | 0 | 0 | 108.8 | M157 I165 V247 A250 L268 A269 C271 F283 E293 | M157-L281 HydrophobicContact SD-CD1 3.93Å; I165-L281 HydrophobicContact CD1-CD1 3.78Å; V247-L281 HydrophobicContact CG1-CD2 3.97Å; A250-L281 HydrophobicContact CB-CD2 3.62Å; L268-L281 WeakPolarHBondContact CA-O 3.41Å; A269-L281 HydrophobicContact CB-CB 4Å; A269-L281 HydrophobicContact CB-CD1 4.36Å; A269-L281 PolarHBondContact N-O 3.29Å; A269-L281 PolarHBondContact O-N 3.18Å; C271-L281 HydrophobicContact CB-CD1 4.21Å; L281-F283 HydrophobicContact CB-CE1 4.49Å; L281-F283 HydrophobicContact CB-CE2 4.44Å; L281-F283 HydrophobicContact CB-CZ 3.99Å; L281-F283 HydrophobicContact CD1-CZ 4.39Å; L281-E293 CarbonylContact C-O 3.57Å; L281-E293 WeakPolarHBondContact CA-O 3.46Å |
| 282 | K | 91.8 | Very high | 85.2 | Confident | 98 Ų | 98 | 48.7 Ų | 48.7 | 43% | 0.426 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 122.1 | 178.6 | -169.3 | -177 | 178 | -172.5 | 0 | 109.6 | T284 E293 | K282-T284 HydrophobicContact CD-CG2 4.29Å; K282-T284 HydrophobicContact CG-CG2 4.2Å; K282-E293 PolarHBondContact N-O 2.96Å; K282-E293 PolarHBondContact O-N 3.4Å |
| 283 | F | 89.5 | Confident | 84.9 | Confident | 11 Ų | 11 | 52.8 Ų | 52.8 | 5% | 0.048 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 114.4 | 178.4 | -54 | -61.8 | 0 | 0 | 0 | 109.3 | M157 V167 V247 F262 S267 A269 L281 M290 | M157-F283 HydrophobicContact SD-CZ 4.15Å; V167-F283 HydrophobicContact CG2-CD1 4.41Å; V167-F283 HydrophobicContact CG2-CE1 3.6Å; V167-F283 HydrophobicContact CG2-CZ 3.7Å; V247-F283 HydrophobicContact CG2-CE1 4.41Å; F262-F283 HydrophobicContact CD1-CE2 4.36Å; F262-F283 HydrophobicContact CE1-CD2 4.21Å; F262-F283 AromaticContact CE1-CE2 3.69Å; F262-F283 HydrophobicContact CE1-CE2 3.69Å; S267-F283 WeakPolarHBondContact CB-O 3.41Å; S267-F283 PolarHBondContact O-N 3.45Å; A269-F283 HydrophobicContact CB-CE2 3.68Å; A269-F283 HydrophobicContact CB-CZ 4.2Å; L281-F283 HydrophobicContact CB-CE1 4.49Å; L281-F283 HydrophobicContact CB-CE2 4.44Å; L281-F283 HydrophobicContact CB-CZ 3.99Å; L281-F283 HydrophobicContact CD1-CZ 4.39Å; F283-M290 HydrophobicContact CB-CE 3.76Å; F283-M290 HydrophobicContact CB-CG 4.29Å; F283-M290 HydrophobicContact CB-SD 4.05Å; F283-M290 HydrophobicContact CD1-CE 3.87Å; F283-M290 HydrophobicContact CG-CE 3.83Å |
| 284 | T | 85.1 | Confident | 84.9 | Confident | 44 Ų | 44 | 54.2 Ų | 54.2 | 27% | 0.27 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 141.6 | 178.1 | 57 | 0 | 0 | 0 | 0 | 109.9 | K282 G286 M290 K291 | K282-T284 HydrophobicContact CD-CG2 4.29Å; K282-T284 HydrophobicContact CG-CG2 4.2Å; T284-G286 PolarHBondContact O-N 2.92Å; T284-M290 WeakPolarHBondContact O-CA 3.5Å; T284-K291 PolarHBondContact N-O 3.08Å; T284-K291 PolarHBondContact O-N 3.26Å |
| 285 | Q | 76.9 | Confident | 85.2 | Confident | 188 Ų | 188 | 58.1 Ų | 58.1 | 88% | 0.879 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 108.4 | 176.8 | -163.8 | 156.4 | 0.5 | 0 | 0 | 108.7 | ||
| 286 | G | 66.3 | Low | 85.4 | Confident | 38 Ų | 38 | 60.4 Ų | 60.4 | 39% | 0.392 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 177 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T284 V288 G289 | T284-G286 PolarHBondContact O-N 2.92Å; G286-V288 PolarHBondContact O-N 2.76Å; G286-G289 CarbonylContact C-O 3.51Å; G286-G289 WeakPolarHBondContact CA-O 3.49Å; G286-G289 PolarHBondContact N-O 2.83Å; G286-G289 PolarHBondContact O-N 2.83Å |
| 287 | L | 65.5 | Low | 85.6 | Confident | 191 Ų | 191 | 62.6 Ų | 62.6 | 100% | 1 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -28.4 | 179.8 | -75.5 | 158.4 | 0 | 0 | 0 | 113.8 | ||
| 288 | V | 68.5 | Low | 85.5 | Confident | 156 Ų | 156 | 63.1 Ų | 63.1 | 95% | 0.945 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 11.2 | -175.4 | -168.4 | 0 | 0 | 0 | 0 | 111.8 | G286 | G286-V288 PolarHBondContact O-N 2.76Š|
| 289 | G | 70.5 | Confident | 85.2 | Confident | 36 Ų | 36 | 65.3 Ų | 65.3 | 37% | 0.371 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 120.6 | -168.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G286 | G286-G289 CarbonylContact C-O 3.51Å; G286-G289 WeakPolarHBondContact CA-O 3.49Å; G286-G289 PolarHBondContact N-O 2.83Å; G286-G289 PolarHBondContact O-N 2.83Å |
| 290 | M | 77.1 | Confident | 84.6 | Confident | 43 Ų | 43 | 64.8 Ų | 64.8 | 21% | 0.212 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 130.6 | -178.5 | -147.4 | 170.9 | 78.8 | 0 | 0 | 109.6 | V167 L244 C245 F283 T284 | V167-M290 HydrophobicContact CB-CE 4.34Å; V167-M290 HydrophobicContact CG1-CE 3.83Å; L244-M290 HydrophobicContact CB-CB 4.13Å; L244-M290 HydrophobicContact CB-CE 3.93Å; L244-M290 HydrophobicContact CB-SD 4.48Å; L244-M290 HydrophobicContact CD1-CE 3.74Å; L244-M290 HydrophobicContact CD1-SD 3.8Å; C245-M290 VanDerWaalsContact CB-O 3.26Å; C245-M290 WeakPolarHBondContact CB-O 3.38Å; F283-M290 HydrophobicContact CB-CE 3.76Å; F283-M290 HydrophobicContact CB-CG 4.29Å; F283-M290 HydrophobicContact CB-SD 4.05Å; F283-M290 HydrophobicContact CD1-CE 3.87Å; F283-M290 HydrophobicContact CG-CE 3.83Å; T284-M290 WeakPolarHBondContact O-CA 3.5Å |
| 291 | K | 81.8 | Confident | 83.8 | Confident | 124 Ų | 124 | 68.5 Ų | 68.5 | 54% | 0.539 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.7 | 174.4 | -169.4 | -174.7 | 176.7 | -160.5 | 0 | 108.6 | T284 E293 | T284-K291 PolarHBondContact N-O 3.08Å; T284-K291 PolarHBondContact O-N 3.26Å; K291-E293 IonicContact NZ-OE1 2.79Å |
| 292 | G | 84 | Confident | 82.9 | Confident | 15 Ų | 15 | 74.9 Ų | 74.9 | 16% | 0.155 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 127.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 293 | E | 89.7 | Confident | 82.2 | Confident | 87 Ų | 87 | 71.4 Ų | 71.4 | 41% | 0.407 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 135.7 | 168.1 | -63.6 | -178.8 | 159.6 | 0 | 0 | 108.1 | L281 K282 K291 | L281-E293 CarbonylContact C-O 3.57Å; L281-E293 WeakPolarHBondContact CA-O 3.46Å; K282-E293 PolarHBondContact N-O 2.96Å; K282-E293 PolarHBondContact O-N 3.4Å; K291-E293 IonicContact NZ-OE1 2.79Å |
| 294 | S | 92.7 | Very high | 82.1 | Confident | 31 Ų | 31 | 73.5 Ų | 73.5 | 22% | 0.217 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 145.2 | 174.9 | 71.7 | 0 | 0 | 0 | 0 | 110.9 | D249 Q280 | D249-S294 WeakPolarHBondContact OD1-CB 3.34Å; D249-S294 PolarHBondContact OD1-OG 3.08Å; D249-S294 PolarHBondContact OD2-OG 3.26Å; Q280-S294 CarbonylContact O-C 3.55Å; Q280-S294 WeakPolarHBondContact O-CA 3.35Å |
| 295 | M | 94.1 | Very high | 82.5 | Confident | 83 Ų | 83 | 71.5 Ų | 71.5 | 41% | 0.409 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 117.9 | 176.7 | -176.6 | -92.4 | -67.5 | 0 | 0 | 109.9 | F279 Q280 F297 V362 | F279-M295 CarbonylContact C-O 3.48Å; F279-M295 WeakPolarHBondContact CA-O 3.16Å; Q280-M295 HydrophobicContact CB-CE 4.3Å; Q280-M295 PolarHBondContact N-O 2.84Å; Q280-M295 PolarHBondContact O-N 3.13Å; M295-F297 HydrophobicContact CE-CB 4.27Å; M295-F297 PolarHBondContact O-N 2.94Å; M295-F297 HydrophobicContact SD-CB 3.8Å; M295-V362 HydrophobicContact CE-CG2 3.94Å |
| 296 | C | 93.7 | Very high | 83.1 | Confident | 62 Ų | 62 | 63 Ų | 63 | 42% | 0.419 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 115.7 | 174.2 | -172.3 | 0 | 0 | 0 | 0 | 109.7 | F279 F298 | F279-C296 HydrophobicContact CD1-CB 3.65Å; F279-C296 HydrophobicContact CE1-CB 3.57Å; F279-C296 HydrophobicContact CG-CB 4.4Å; F279-C296 HydrophobicContact CZ-CB 4.24Å; C296-F298 PolarHBondContact SG-O 3.46Å |
| 297 | F | 93.3 | Very high | 84.4 | Confident | 45 Ų | 45 | 61.4 Ų | 61.4 | 20% | 0.197 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | -11.4 | 177.3 | 68.5 | -95.5 | 0 | 0 | 0 | 113.3 | V278 Q280 M295 L345 L347 V356 L358 V362 | V278-F297 HydrophobicContact CB-CE1 4.2Å; V278-F297 HydrophobicContact CB-CE2 4.22Å; V278-F297 HydrophobicContact CB-CZ 3.88Å; V278-F297 HydrophobicContact CG1-CE1 3.62Å; V278-F297 HydrophobicContact CG1-CE2 4.08Å; V278-F297 HydrophobicContact CG1-CZ 3.29Å; V278-F297 PolarHBondContact O-N 3.06Å; V278-F297 VanDerWaalsContact O-N 3.09Å; Q280-F297 HydrophobicContact CB-CD1 3.78Å; Q280-F297 HydrophobicContact CB-CE1 3.99Å; M295-F297 HydrophobicContact CE-CB 4.27Å; M295-F297 PolarHBondContact O-N 2.94Å; M295-F297 HydrophobicContact SD-CB 3.8Å; F297-L345 HydrophobicContact CZ-CD2 4.04Å; F297-L347 HydrophobicContact CE2-CD1 4.09Å; F297-L347 HydrophobicContact CZ-CD1 4.44Å; F297-V356 HydrophobicContact CD2-CG1 4.44Å; F297-V356 HydrophobicContact CE2-CB 4.48Å; F297-V356 HydrophobicContact CE2-CG1 4Å; F297-V356 HydrophobicContact CE2-CG2 4.25Å; F297-L358 HydrophobicContact CD1-CD2 4.47Å; F297-L358 HydrophobicContact CE1-CD2 4Å; F297-L358 HydrophobicContact CZ-CD2 4.03Å; F297-V362 HydrophobicContact CB-CG1 3.93Å; F297-V362 HydrophobicContact CD2-CG1 3.91Å; F297-V362 HydrophobicContact CG-CG1 3.95Å |
| 298 | F | 93.2 | Very high | 85.8 | Confident | 32 Ų | 32 | 52.7 Ų | 52.7 | 14% | 0.14 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 118.5 | 174.3 | -171.2 | -79.9 | 0 | 0 | 0 | 109.3 | S277 V278 C296 H302 G303 I305 I354 | S277-F298 CarbonylContact C-O 3.53Å; S277-F298 WeakPolarHBondContact CA-O 3.49Å; V278-F298 HydrophobicContact CB-CB 3.93Å; V278-F298 HydrophobicContact CG2-CB 3.96Å; V278-F298 HydrophobicContact CG2-CD1 4.17Å; V278-F298 HydrophobicContact CG2-CG 4.33Å; V278-F298 PolarHBondContact N-O 3.03Å; V278-F298 PolarHBondContact O-N 3.45Å; C296-F298 PolarHBondContact SG-O 3.46Å; F298-H302 HydrophobicContact CE1-CB 4.22Å; F298-H302 HydrophobicContact CE2-CB 4.34Å; F298-H302 HydrophobicContact CZ-CB 3.84Å; F298-G303 WeakPolarHBondContact CE1-O 3.46Å; F298-I305 HydrophobicContact CD1-CD1 4.24Å; F298-I305 HydrophobicContact CD1-CG1 3.69Å; F298-I305 HydrophobicContact CE1-CD1 3.76Å; F298-I305 HydrophobicContact CE1-CG1 3.6Å; F298-I305 HydrophobicContact CG-CG1 4.49Å; F298-I305 HydrophobicContact CZ-CD1 3.95Å; F298-I305 HydrophobicContact CZ-CG1 4.29Å; F298-I354 HydrophobicContact CE2-CD1 3.65Å; F298-I354 HydrophobicContact CZ-CD1 4.06Å |
| 299 | S | 90 | Very high | 87 | Confident | 45 Ų | 45 | 47.2 Ų | 47.2 | 32% | 0.315 | 27% | 0.269 | S | S | . | . | trans | -85.7 | 134.8 | 175.5 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | S301 H302 | S299-S301 PolarHBondContact O-N 3.19Å; S299-S301 PolarHBondContact OG-N 3.4Å; S299-S301 PolarHBondContact OG-OG 3.5Å; S299-H302 WeakPolarHBondContact O-CB 3.47Å; S299-H302 PolarHBondContact O-N 2.92Å | ||
| 300 | G | 82.3 | Confident | 88.1 | Confident | 9 Ų | 9 | 46.3 Ų | 46.3 | 9% | 0.093 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -57 | -21.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G275 G276 S277 H302 G303 E304 | G275-G300 WeakPolarHBondContact O-CA 3.41Å; G276-G300 WeakPolarHBondContact O-CA 3.4Å; S277-G300 PolarHBondContact OG-N 3.09Å; G300-H302 PolarHBondContact O-N 3.23Å; G300-H302 VanDerWaalsContact O-N 3.12Å; G300-G303 CarbonylContact O-C 3.57Å; G300-G303 PolarHBondContact O-N 2.99Å; G300-E304 PolarHBondContact O-N 2.96Å |
| 301 | S | 79.4 | Confident | 88.7 | Confident | 99 Ų | 99 | 44.3 Ų | 44.3 | 69% | 0.692 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -60.1 | -19 | 171.3 | 63.6 | 0 | 0 | 0 | 0 | 114.2 | S299 | S299-S301 PolarHBondContact O-N 3.19Å; S299-S301 PolarHBondContact OG-N 3.4Å; S299-S301 PolarHBondContact OG-OG 3.5Å |
| 302 | H | 74.8 | Confident | 88.7 | Confident | 136 Ų | 136 | 39.2 Ų | 39.2 | 63% | 0.63 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -91.4 | 1.1 | 175.8 | -67.1 | -53.1 | 0 | 0 | 0 | 114.2 | F298 S299 G300 | F298-H302 HydrophobicContact CE1-CB 4.22Å; F298-H302 HydrophobicContact CE2-CB 4.34Å; F298-H302 HydrophobicContact CZ-CB 3.84Å; S299-H302 WeakPolarHBondContact O-CB 3.47Å; S299-H302 PolarHBondContact O-N 2.92Å; G300-H302 PolarHBondContact O-N 3.23Å; G300-H302 VanDerWaalsContact O-N 3.12Å |
| 303 | G | 78.1 | Confident | 88.2 | Confident | 24 Ų | 24 | 39.7 Ų | 39.7 | 25% | 0.247 | 23% | 0.228 | C | C | . | . | trans | 133.4 | 113 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | F298 G300 I305 | F298-G303 WeakPolarHBondContact CE1-O 3.46Å; G300-G303 CarbonylContact O-C 3.57Å; G300-G303 PolarHBondContact O-N 2.99Å; G303-I305 PolarHBondContact O-N 2.76Å | ||
| 304 | E | 87.4 | Confident | 87.3 | Confident | 56 Ų | 56 | 37.3 Ų | 37.3 | 26% | 0.262 | 22% | 0.218 | S | C | . | . | trans | -58.5 | 111.5 | -175.2 | -62.2 | 175.5 | 163.2 | 0 | 0 | 110.6 | G300 C306 S349 S515 | G300-E304 PolarHBondContact O-N 2.96Å; E304-C306 PolarHBondContact O-N 3.25Å; E304-S349 WeakPolarHBondContact O-CA 3.2Å; E304-S349 WeakPolarHBondContact O-CB 3.49Å; E304-S515 VanDerWaalsContact OE1-CB 3.25Å; E304-S515 WeakPolarHBondContact OE1-CB 3.17Å; E304-S515 PolarHBondContact OE1-OG 3.17Å; E304-S515 VanDerWaalsContact OE2-CB 3.3Å; E304-S515 WeakPolarHBondContact OE2-CB 3.43Å; E304-S515 PolarHBondContact OE2-OG 2.95Å | ||
| 305 | I | 93.3 | Very high | 85.4 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 123.2 | 175 | -59.2 | -53.2 | 0 | 0 | 0 | 108.2 | V272 G276 V278 F298 G303 L347 I354 | V272-I305 HydrophobicContact CG1-CB 4.03Å; V272-I305 HydrophobicContact CG1-CG2 4.14Å; V272-I305 WeakPolarHBondContact CG1-O 3.46Å; V272-I305 HydrophobicContact CG2-CG2 4.15Å; G276-I305 WeakPolarHBondContact CA-O 3.41Å; G276-I305 PolarHBondContact O-N 3.07Å; V278-I305 HydrophobicContact CG2-CB 3.94Å; V278-I305 HydrophobicContact CG2-CG1 3.63Å; V278-I305 HydrophobicContact CG2-CG2 4.09Å; F298-I305 HydrophobicContact CD1-CD1 4.24Å; F298-I305 HydrophobicContact CD1-CG1 3.69Å; F298-I305 HydrophobicContact CE1-CD1 3.76Å; F298-I305 HydrophobicContact CE1-CG1 3.6Å; F298-I305 HydrophobicContact CG-CG1 4.49Å; F298-I305 HydrophobicContact CZ-CD1 3.95Å; F298-I305 HydrophobicContact CZ-CG1 4.29Å; G303-I305 PolarHBondContact O-N 2.76Å; I305-L347 HydrophobicContact CD1-CB 4.19Å; I305-L347 HydrophobicContact CG2-CB 4.19Å; I305-L347 HydrophobicContact CG2-CD2 4.19Å; I305-I354 HydrophobicContact CD1-CD1 4.42Å |
| 306 | C | 90.1 | Very high | 83.1 | Confident | 10 Ų | 10 | 34.1 Ų | 34.1 | 7% | 0.068 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | -6 | -176.1 | 51.3 | 0 | 0 | 0 | 0 | 113.7 | E304 A348 L377 P378 L518 | E304-C306 PolarHBondContact O-N 3.25Å; C306-A348 PolarHBondContact N-O 3.39Å; C306-L377 HydrophobicContact CB-CD2 4.01Å; C306-P378 WeakPolarHBondContact SG-CD 3.09Å; C306-P378 WeakPolarHBondContact SG-CG 3.35Å; C306-L518 HydrophobicContact CB-CD1 3.63Å |
| 307 | A | 93.5 | Very high | 80.7 | Confident | 4 Ų | 4 | 34.3 Ų | 34.3 | 3% | 0.033 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 145.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L347 A348 P378 L380 | A307-L347 WeakPolarHBondContact O-CA 3.5Å; A307-A348 HydrophobicContact CB-CB 4.33Å; A307-A348 PolarHBondContact N-O 3.04Å; A307-A348 PolarHBondContact O-N 2.66Å; A307-P378 HydrophobicContact CB-CG 4.24Å; A307-P378 WeakPolarHBondContact CB-O 3.36Å; A307-L380 HydrophobicContact CB-CD1 4.28Å; A307-L380 HydrophobicContact CB-CG 4.29Å |
| 308 | M | 94.5 | Very high | 77.9 | Confident | 8 Ų | 8 | 34.8 Ų | 34.8 | 4% | 0.039 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 130.1 | -178.5 | 176.4 | 175.6 | 70.4 | 0 | 0 | 109.9 | L259 C261 A270 V272 V278 L345 A346 L347 | L259-M308 HydrophobicContact CB-CB 4.39Å; L259-M308 HydrophobicContact CB-CE 3.84Å; L259-M308 HydrophobicContact CD1-CB 3.81Å; C261-M308 HydrophobicContact CB-CE 4.48Å; A270-M308 HydrophobicContact CB-CE 4.28Å; A270-M308 HydrophobicContact CB-SD 3.75Å; A270-M308 WeakPolarHBondContact O-CE 3.5Å; V272-M308 HydrophobicContact CG2-CB 4.12Å; V272-M308 HydrophobicContact CG2-CE 3.87Å; V272-M308 HydrophobicContact CG2-SD 3.65Å; V278-M308 HydrophobicContact CG1-SD 4.31Å; M308-L345 HydrophobicContact CG-CD1 3.61Å; M308-L345 HydrophobicContact CG-CD2 4.35Å; M308-L345 HydrophobicContact CG-CG 4.09Å; M308-L345 HydrophobicContact SD-CD1 3.92Å; M308-L345 HydrophobicContact SD-CD2 3.89Å; M308-L345 HydrophobicContact SD-CG 4.27Å; M308-A346 VanDerWaalsContact CA-O 3.31Å; M308-A346 WeakPolarHBondContact CA-O 3.48Å; M308-L347 HydrophobicContact CB-CD2 3.99Å; M308-L347 HydrophobicContact CG-CD2 3.65Å; M308-L347 HydrophobicContact SD-CD2 3.92Å |
| 309 | E | 93.3 | Very high | 74.9 | Confident | 40 Ų | 40 | 35.7 Ų | 35.7 | 19% | 0.187 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 128.4 | 173.3 | -81.5 | -75.3 | -169 | 0 | 0 | 110.3 | A346 L380 W382 K465 | E309-A346 PolarHBondContact N-O 2.96Å; E309-A346 PolarHBondContact O-N 3.35Å; E309-L380 HydrophobicContact CB-CB 4.2Å; E309-L380 HydrophobicContact CG-CB 4.15Å; E309-L380 VanDerWaalsContact CG-O 3.27Å; E309-L380 WeakPolarHBondContact CG-O 3.29Å; E309-W382 PolarHBondContact O-NE1 3.23Å; E309-W382 VanDerWaalsContact O-NE1 3.08Å; E309-K465 IonicContact OE1-NZ 3.76Å; E309-K465 PolarHBondContact OE1-NZ 2.79Å |
| 310 | P | 93 | Very high | 71.9 | Confident | 18 Ų | 18 | 35.2 Ų | 35.2 | 12% | 0.117 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 152.5 | 173.5 | 35.7 | -32.8 | 0 | 0 | 0 | 110.2 | C261 F262 G312 L345 W382 | C261-P310 HydrophobicContact CB-CG 3.78Å; C261-P310 VanDerWaalsContact SG-CD 3.57Å; F262-P310 WeakPolarHBondContact O-CB 3.49Å; F262-P310 VanDerWaalsContact O-CG 3.29Å; F262-P310 WeakPolarHBondContact O-CG 3.16Å; P310-G312 PolarHBondContact O-N 3.36Å; P310-L345 HydrophobicContact CB-CD1 4.11Å; P310-W382 VanDerWaalsContact C-CD1 3.45Å |
| 311 | L | 91.3 | Very high | 69.5 | Low | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | trans | -61.3 | 127 | 165.2 | -176.3 | 69.7 | 0 | 0 | 0 | 108.9 | T264 L339 L344 W382 W384 A392 | T264-L311 HydrophobicContact CG2-CB 4.31Å; T264-L311 HydrophobicContact CG2-CD2 4.48Å; T264-L311 HydrophobicContact CG2-CG 4.38Å; T264-L311 WeakPolarHBondContact CG2-O 3.23Å; L311-L339 HydrophobicContact CD2-CB 3.92Å; L311-L344 HydrophobicContact CB-CB 4.01Å; L311-L344 HydrophobicContact CD2-CB 4.38Å; L311-L344 HydrophobicContact CD2-CD1 4.18Å; L311-L344 PolarHBondContact N-O 3.24Å; L311-W382 HydrophobicContact CB-CD2 4.49Å; L311-W382 HydrophobicContact CD1-CB 4.25Å; L311-W382 HydrophobicContact CD1-CD2 3.78Å; L311-W382 HydrophobicContact CD1-CE3 3.53Å; L311-W382 HydrophobicContact CD1-CG 4.13Å; L311-W382 HydrophobicContact CD1-CZ3 4.1Å; L311-W384 HydrophobicContact CD1-CB 3.88Å; L311-W384 HydrophobicContact CD1-CD2 4.46Å; L311-W384 HydrophobicContact CD1-CE3 4.49Å; L311-W384 HydrophobicContact CD1-CG 4.22Å; L311-W384 HydrophobicContact CD2-CD2 4.32Å; L311-W384 HydrophobicContact CD2-CE3 4.14Å; L311-W384 HydrophobicContact CG-CD2 4.42Å; L311-W384 HydrophobicContact CG-CE3 4.06Å; L311-A392 HydrophobicContact CD1-CB 3.7Å | ||
| 312 | G | 80.3 | Confident | 67.4 | Low | 17 Ų | 17 | 45.3 Ų | 45.3 | 18% | 0.175 | 25% | 0.246 | C | C | . | . | trans | -133.7 | 138.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | P310 N314 | P310-G312 PolarHBondContact O-N 3.36Å; G312-N314 PolarHBondContact O-N 3.11Å | ||
| 313 | L | 74.1 | Confident | 65.6 | Low | 25 Ų | 25 | 44.8 Ų | 44.8 | 13% | 0.131 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 120.5 | 171.7 | -165.3 | 76.4 | 0 | 0 | 0 | 108.7 | R99 L331 A334 W384 A386 | R99-L313 PolarHBondContact NH2-O 2.78Å; L313-L331 HydrophobicContact CD2-CD2 3.54Å; L313-A334 HydrophobicContact CD1-CB 4.39Å; L313-W384 HydrophobicContact CB-CE3 4.05Å; L313-W384 HydrophobicContact CB-CZ3 4.08Å; L313-W384 HydrophobicContact CD1-CD2 3.93Å; L313-W384 HydrophobicContact CD1-CE3 3.71Å; L313-W384 HydrophobicContact CD1-CH2 4.08Å; L313-W384 HydrophobicContact CD1-CZ2 4.33Å; L313-W384 HydrophobicContact CD1-CZ3 3.8Å; L313-A386 HydrophobicContact CD1-CB 4.38Å |
| 314 | N | 70.2 | Confident | 64 | Low | 36 Ų | 36 | 48.1 Ų | 48.1 | 19% | 0.193 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -79.4 | 125.4 | 166.4 | -67.9 | -21.6 | 0 | 0 | 0 | 106.8 | G312 S316 Y383 W384 | G312-N314 PolarHBondContact O-N 3.11Å; N314-S316 PolarHBondContact O-N 3.39Å; N314-Y383 HydrophobicContact CB-CE2 4.43Å; N314-Y383 WeakPolarHBondContact ND2-CD2 3.31Å; N314-W384 PolarHBondContact N-O 3.46Å |
| 315 | A | 53.7 | Low | 62.2 | Low | 31 Ų | 31 | 52.5 Ų | 52.5 | 26% | 0.256 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 123.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||
| 316 | S | 45.1 | Very low | 59.8 | Low | 17 Ų | 17 | 56.8 Ų | 56.8 | 12% | 0.119 | 31% | 0.306 | C | S | . | . | trans | -116.3 | 93.1 | 163.4 | 179 | 0 | 0 | 0 | 0 | 103.5 | T47 N314 T318 S385 D387 | T47-S316 WeakPolarHBondContact CG2-OG 3.39Å; N314-S316 PolarHBondContact O-N 3.39Å; S316-T318 PolarHBondContact O-N 2.84Å; S316-S385 WeakPolarHBondContact CB-OG 3.27Å; S316-D387 PolarHBondContact OG-OD2 3.22Å | ||
| 317 | K | 43.1 | Very low | 57.8 | Low | 65 Ų | 65 | 58.8 Ų | 58.8 | 28% | 0.283 | 32% | 0.316 | S | S | . | . | trans | -86.1 | 98.1 | 168.9 | -80.3 | -175.7 | 178.3 | -171 | 0 | 107.4 | N41 E44 L327 | N41-K317 PolarHBondContact O-NZ 3.25Å; E44-K317 HydrophobicContact CB-CB 3.94Å; E44-K317 WeakPolarHBondContact CB-O 3.36Å; E44-K317 HydrophobicContact CG-CB 4.38Å; E44-K317 PolarHBondContact OE2-N 2.89Å; K317-L327 HydrophobicContact CG-CD1 4.37Å; K317-L327 HydrophobicContact CG-CD2 4.24Å | ||
| 318 | T | 34.2 | Very low | 56 | Low | 56 Ų | 56 | 62.6 Ų | 62.6 | 34% | 0.344 | 34% | 0.336 | S | S | . | . | trans | -57.1 | 141.7 | 159.8 | 56 | 0 | 0 | 0 | 0 | 108.8 | T47 S316 | T47-T318 HydrophobicContact CG2-CG2 4.48Å; S316-T318 PolarHBondContact O-N 2.84Å | ||
| 319 | N | 30.4 | Very low | 54.2 | Low | 51 Ų | 51 | 66 Ų | 66 | 27% | 0.273 | 35% | 0.354 | S | S | . | . | trans | -136.6 | 154.2 | -164.3 | -161 | 3.7 | 0 | 0 | 0 | 110.8 | D43 E44 N45 | D43-N319 WeakPolarHBondContact CA-ND2 3.34Å; D43-N319 PolarHBondContact OD1-ND2 3.24Å; E44-N319 VanDerWaalsContact C-ND2 3.28Å; E44-N319 PolarHBondContact N-ND2 3.01Å; E44-N319 VanDerWaalsContact N-ND2 3.17Å; E44-N319 WeakPolarHBondContact O-CB 3.29Å; N45-N319 WeakPolarHBondContact CA-ND2 3.48Å; N45-N319 HydrophobicContact CB-CB 4.02Å; N45-N319 WeakPolarHBondContact CB-ND2 3.47Å; N45-N319 VanDerWaalsContact CG-CB 3.46Å; N45-N319 PolarHBondContact N-ND2 2.9Å; N45-N319 VanDerWaalsContact ND2-CG 3.29Å; N45-N319 PolarHBondContact ND2-ND2 3.01Å; N45-N319 VanDerWaalsContact OD1-C 3.27Å; N45-N319 WeakPolarHBondContact OD1-CB 3.36Å; N45-N319 PolarHBondContact OD1-ND2 2.81Å; N45-N319 PolarHBondContact OD1-OD1 3.35Å | ||
| 320 | G | 28.1 | Very low | 52.4 | Low | 34 Ų | 34 | 66.8 Ų | 66.8 | 35% | 0.351 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 109.7 | 99.6 | -167 | 0 | 0 | 0 | 0 | 0 | 111.8 | F322 | G320-F322 WeakPolarHBondContact O-CD2 3.48Å; G320-F322 PolarHBondContact O-N 3.04Å |
| 321 | H | 32.6 | Very low | 51 | Low | 209 Ų | 209 | 68.3 Ų | 68.3 | 97% | 0.968 | 37% | 0.365 | S | S | * | . | S | Bend | trans | 39.3 | 21.5 | 154.8 | -93.9 | -56.8 | 0 | 0 | 0 | 120.8 | ||
| 322 | F | 34.5 | Very low | 50 | Low | 111 Ų | 111 | 73.4 Ų | 73.4 | 49% | 0.487 | 39% | 0.387 | S | S | . | . | trans | -84.4 | 132.9 | 170.8 | -76.1 | -75.5 | 0 | 0 | 0 | 109.5 | G320 S324 | G320-F322 WeakPolarHBondContact O-CD2 3.48Å; G320-F322 PolarHBondContact O-N 3.04Å; F322-S324 PolarHBondContact O-N 2.89Å | ||
| 323 | D | 36.9 | Very low | 49.2 | Very low | 126 Ų | 126 | 78.5 Ų | 78.5 | 67% | 0.674 | 41% | 0.406 | S | S | * | . | trans | -43.3 | 135.7 | 173.4 | -85.2 | -33.3 | 0 | 0 | 0 | 110.3 | K325 Q326 | D323-K325 HydrophobicContact CB-CB 4.3Å; D323-K325 PolarHBondContact O-N 3.13Å; D323-Q326 PolarHBondContact O-N 2.92Å | ||
| 324 | S | 44 | Very low | 48.8 | Very low | 94 Ų | 94 | 77.4 Ų | 77.4 | 66% | 0.657 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -48.1 | -20.3 | 176.4 | 63 | 0 | 0 | 0 | 0 | 114.1 | F322 D328 | F322-S324 PolarHBondContact O-N 2.89Å; S324-D328 WeakPolarHBondContact O-CB 3.46Å; S324-D328 PolarHBondContact O-N 3.13Å |
| 325 | K | 49.3 | Very low | 48.8 | Very low | 148 Ų | 148 | 81.7 Ų | 81.7 | 64% | 0.643 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -58.5 | -40.6 | 172.8 | -75.5 | -178.2 | 175.1 | 174.3 | 0 | 114.9 | D323 D328 D329 | D323-K325 HydrophobicContact CB-CB 4.3Å; D323-K325 PolarHBondContact O-N 3.13Å; K325-D328 CarbonylContact O-C 3.55Å; K325-D328 WeakPolarHBondContact O-CB 3.35Å; K325-D328 PolarHBondContact O-N 2.86Å; K325-D329 WeakPolarHBondContact O-CB 3.18Å; K325-D329 PolarHBondContact O-N 2.94Å |
| 326 | Q | 43.7 | Very low | 49.7 | Very low | 92 Ų | 92 | 87.8 Ų | 87.8 | 43% | 0.43 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -75.9 | -37.1 | -170.9 | -153 | 175.7 | 8.2 | 0 | 0 | 112.3 | D323 D328 D329 Q330 | D323-Q326 PolarHBondContact O-N 2.92Å; Q326-D328 VanDerWaalsContact C-N 3.34Å; Q326-D329 PolarHBondContact O-N 3.31Å; Q326-Q330 PolarHBondContact O-N 3.02Å |
| 327 | L | 47.1 | Very low | 51.3 | Low | 52 Ų | 52 | 87.3 Ų | 87.3 | 27% | 0.272 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 169.2 | -170.7 | 78.2 | 0 | 0 | 0 | 111 | K317 D329 L331 | K317-L327 HydrophobicContact CG-CD1 4.37Å; K317-L327 HydrophobicContact CG-CD2 4.24Å; L327-D329 VanDerWaalsContact C-N 3.27Å; L327-D329 PolarHBondContact O-N 2.9Å; L327-L331 HydrophobicContact CG-CD1 4.16Å; L327-L331 VanDerWaalsContact O-CB 3.3Å; L327-L331 WeakPolarHBondContact O-CB 2.85Å; L327-L331 VanDerWaalsContact O-CG 3.27Å; L327-L331 WeakPolarHBondContact O-CG 3.19Å; L327-L331 PolarHBondContact O-N 3.21Å |
| 328 | D | 56.3 | Low | 53.1 | Low | 84 Ų | 84 | 85.2 Ų | 85.2 | 45% | 0.449 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.9 | -35.8 | 173.6 | -86.2 | -20.5 | 0 | 0 | 0 | 111.9 | S324 K325 Q326 K332 | S324-D328 WeakPolarHBondContact O-CB 3.46Å; S324-D328 PolarHBondContact O-N 3.13Å; K325-D328 CarbonylContact O-C 3.55Å; K325-D328 WeakPolarHBondContact O-CB 3.35Å; K325-D328 PolarHBondContact O-N 2.86Å; Q326-D328 VanDerWaalsContact C-N 3.34Å; D328-K332 WeakPolarHBondContact O-CB 3.18Å; D328-K332 WeakPolarHBondContact O-CG 3.4Å; D328-K332 PolarHBondContact O-N 3.43Å |
| 329 | D | 56.4 | Low | 55.6 | Low | 78 Ų | 78 | 82.5 Ų | 82.5 | 42% | 0.417 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -73.9 | -42.2 | 178.6 | -70.6 | -22 | 0 | 0 | 0 | 112.3 | K325 Q326 L327 L331 K332 E333 | K325-D329 WeakPolarHBondContact O-CB 3.18Å; K325-D329 PolarHBondContact O-N 2.94Å; Q326-D329 PolarHBondContact O-N 3.31Å; L327-D329 VanDerWaalsContact C-N 3.27Å; L327-D329 PolarHBondContact O-N 2.9Å; D329-L331 PolarHBondContact O-N 2.9Å; D329-K332 WeakPolarHBondContact O-CB 3.23Å; D329-K332 PolarHBondContact O-N 3.38Å; D329-K332 VanDerWaalsContact O-N 3.11Å; D329-K332 IonicContact OD1-NZ 2.77Å; D329-K332 PolarHBondContact OD1-NZ 3.31Å; D329-E333 PolarHBondContact O-N 2.76Å |
| 330 | Q | 56.3 | Low | 58.1 | Low | 57 Ų | 57 | 80.7 Ų | 80.7 | 27% | 0.266 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 171.3 | -73.6 | -179.4 | -20 | 0 | 0 | 112.3 | Q326 K332 E333 A334 | Q326-Q330 PolarHBondContact O-N 3.02Å; Q330-K332 VanDerWaalsContact C-N 3.29Å; Q330-K332 PolarHBondContact O-N 3.46Å; Q330-E333 PolarHBondContact O-N 2.79Å; Q330-A334 WeakPolarHBondContact O-CB 3.39Å; Q330-A334 PolarHBondContact O-N 3.06Å |
| 331 | L | 64.3 | Low | 60.9 | Low | 51 Ų | 51 | 81.8 Ų | 81.8 | 27% | 0.267 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66 | -31.2 | 173.1 | -75.7 | 168.6 | 0 | 0 | 0 | 112.2 | L313 L327 D329 K335 | L313-L331 HydrophobicContact CD2-CD2 3.54Å; L327-L331 HydrophobicContact CG-CD1 4.16Å; L327-L331 VanDerWaalsContact O-CB 3.3Å; L327-L331 WeakPolarHBondContact O-CB 2.85Å; L327-L331 VanDerWaalsContact O-CG 3.27Å; L327-L331 WeakPolarHBondContact O-CG 3.19Å; L327-L331 PolarHBondContact O-N 3.21Å; D329-L331 PolarHBondContact O-N 2.9Å; L331-K335 WeakPolarHBondContact O-CB 3.34Å; L331-K335 WeakPolarHBondContact O-CD 3.4Å; L331-K335 WeakPolarHBondContact O-CG 3.27Å; L331-K335 PolarHBondContact O-N 2.96Å |
| 332 | K | 68.5 | Low | 63.5 | Low | 108 Ų | 108 | 71.9 Ų | 71.9 | 47% | 0.47 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.4 | -44.8 | 171.7 | -78.7 | 169.9 | -155.1 | 156.9 | 0 | 111.1 | D328 D329 Q330 K335 Q336 | D328-K332 WeakPolarHBondContact O-CB 3.18Å; D328-K332 WeakPolarHBondContact O-CG 3.4Å; D328-K332 PolarHBondContact O-N 3.43Å; D329-K332 WeakPolarHBondContact O-CB 3.23Å; D329-K332 PolarHBondContact O-N 3.38Å; D329-K332 VanDerWaalsContact O-N 3.11Å; D329-K332 IonicContact OD1-NZ 2.77Å; D329-K332 PolarHBondContact OD1-NZ 3.31Å; Q330-K332 VanDerWaalsContact C-N 3.29Å; Q330-K332 PolarHBondContact O-N 3.46Å; K332-K335 WeakPolarHBondContact O-CB 3.49Å; K332-K335 PolarHBondContact O-N 3Å; K332-Q336 WeakPolarHBondContact O-CG 3.35Å; K332-Q336 PolarHBondContact O-N 2.94Å |
| 333 | E | 65.5 | Low | 66.2 | Low | 124 Ų | 124 | 66.6 Ų | 66.6 | 58% | 0.579 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61.1 | -47.6 | 176.3 | -75.2 | -174.1 | 169.9 | 0 | 0 | 111.5 | D329 Q330 K335 Q336 S337 | D329-E333 PolarHBondContact O-N 2.76Å; Q330-E333 PolarHBondContact O-N 2.79Å; E333-K335 VanDerWaalsContact C-N 3.26Å; E333-K335 PolarHBondContact O-N 2.9Å; E333-Q336 WeakPolarHBondContact O-CA 3.48Å; E333-Q336 WeakPolarHBondContact O-CB 3.45Å; E333-Q336 PolarHBondContact O-N 3.01Å; E333-S337 PolarHBondContact O-N 3.08Å; E333-S337 VanDerWaalsContact O-N 3.08Å |
| 334 | A | 64.6 | Low | 68.9 | Low | 2 Ų | 2 | 60.7 Ų | 60.7 | 2% | 0.017 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.2 | -35.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L313 Q330 Q336 S337 S340 W384 A386 P389 | L313-A334 HydrophobicContact CD1-CB 4.39Å; Q330-A334 WeakPolarHBondContact O-CB 3.39Å; Q330-A334 PolarHBondContact O-N 3.06Å; A334-Q336 VanDerWaalsContact C-N 3.32Å; A334-S337 WeakPolarHBondContact O-CB 3.28Å; A334-S337 PolarHBondContact O-N 2.81Å; A334-S340 WeakPolarHBondContact O-CB 3.36Å; A334-W384 HydrophobicContact CB-CZ2 4.5Å; A334-A386 HydrophobicContact CB-CB 4.36Å; A334-P389 HydrophobicContact CB-CB 4.39Å |
| 335 | K | 69.6 | Low | 71.4 | Confident | 126 Ų | 126 | 56.2 Ų | 56.2 | 55% | 0.548 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70 | -25.8 | 172.9 | -78.8 | 171.2 | -176.2 | 169 | 0 | 113.7 | L331 K332 E333 | L331-K335 WeakPolarHBondContact O-CB 3.34Å; L331-K335 WeakPolarHBondContact O-CD 3.4Å; L331-K335 WeakPolarHBondContact O-CG 3.27Å; L331-K335 PolarHBondContact O-N 2.96Å; K332-K335 WeakPolarHBondContact O-CB 3.49Å; K332-K335 PolarHBondContact O-N 3Å; E333-K335 VanDerWaalsContact C-N 3.26Å; E333-K335 PolarHBondContact O-N 2.9Å |
| 336 | Q | 73.1 | Confident | 73.6 | Confident | 158 Ų | 158 | 49.1 Ų | 49.1 | 74% | 0.738 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -82.7 | -16.2 | 176.1 | -70.5 | 176.2 | 16.7 | 0 | 0 | 112.9 | K332 E333 A334 | K332-Q336 WeakPolarHBondContact O-CG 3.35Å; K332-Q336 PolarHBondContact O-N 2.94Å; E333-Q336 WeakPolarHBondContact O-CA 3.48Å; E333-Q336 WeakPolarHBondContact O-CB 3.45Å; E333-Q336 PolarHBondContact O-N 3.01Å; A334-Q336 VanDerWaalsContact C-N 3.32Å |
| 337 | S | 79.5 | Confident | 76.1 | Confident | 7 Ų | 7 | 44.8 Ų | 44.8 | 5% | 0.049 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -56.1 | 146.2 | 174.8 | 170.8 | 0 | 0 | 0 | 0 | 113.2 | E333 A334 L339 S340 S341 P389 | E333-S337 PolarHBondContact O-N 3.08Å; E333-S337 VanDerWaalsContact O-N 3.08Å; A334-S337 WeakPolarHBondContact O-CB 3.28Å; A334-S337 PolarHBondContact O-N 2.81Å; S337-L339 PolarHBondContact O-N 2.86Å; S337-L339 PolarHBondContact OG-N 2.64Å; S337-L339 VanDerWaalsContact OG-N 3.07Å; S337-S340 WeakPolarHBondContact O-CB 3.21Å; S337-S340 PolarHBondContact O-N 3.32Å; S337-S341 PolarHBondContact O-N 2.78Å; S337-S341 VanDerWaalsContact O-N 3.12Å; S337-S341 PolarHBondContact O-OG 3.35Å; S337-P389 VanDerWaalsContact CB-O 3.3Å; S337-P389 WeakPolarHBondContact CB-O 3.3Å; S337-P389 PolarHBondContact OG-O 2.78Å |
| 338 | I | 81.4 | Confident | 78.4 | Confident | 21 Ų | 21 | 42.3 Ų | 42.3 | 11% | 0.108 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.4 | -34.9 | 172.2 | -64.5 | 179.6 | 0 | 0 | 0 | 110.7 | S340 S341 S342 K409 N445 L447 | I338-S340 VanDerWaalsContact C-N 3.32Å; I338-S340 PolarHBondContact O-N 3.39Å; I338-S341 WeakPolarHBondContact CA-OG 3.43Å; I338-S341 PolarHBondContact O-N 3.49Å; I338-S341 PolarHBondContact O-OG 3.26Å; I338-S342 WeakPolarHBondContact O-CB 3.29Å; I338-S342 PolarHBondContact O-N 3.03Å; I338-S342 PolarHBondContact O-OG 2.74Å; I338-K409 HydrophobicContact CD1-CD 3.59Å; I338-K409 HydrophobicContact CD1-CG 3.96Å; I338-K409 HydrophobicContact CG1-CD 4.31Å; I338-N445 HydrophobicContact CD1-CB 4.33Å; I338-N445 WeakPolarHBondContact CD1-OD1 3.5Å; I338-L447 HydrophobicContact CG2-CD2 4.19Å |
| 339 | L | 85.1 | Confident | 80.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.1 | -42.3 | 177.9 | -66.9 | 177.6 | 0 | 0 | 0 | 111.1 | L311 S337 S342 L344 W384 D390 A392 V407 L447 | L311-L339 HydrophobicContact CD2-CB 3.92Å; S337-L339 PolarHBondContact O-N 2.86Å; S337-L339 PolarHBondContact OG-N 2.64Å; S337-L339 VanDerWaalsContact OG-N 3.07Å; L339-S342 PolarHBondContact O-OG 2.74Å; L339-L344 HydrophobicContact CD2-CD1 3.75Å; L339-W384 HydrophobicContact CB-CZ2 4.18Å; L339-D390 VanDerWaalsContact CD1-C 3.5Å; L339-A392 HydrophobicContact CD1-CB 4.01Å; L339-V407 HydrophobicContact CD2-CG1 4.02Å; L339-L447 HydrophobicContact CD2-CD2 3.64Å |
| 340 | S | 84.3 | Confident | 81.6 | Confident | 13 Ų | 13 | 36.1 Ų | 36.1 | 9% | 0.091 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.6 | -46.6 | 176.1 | -158.4 | 0 | 0 | 0 | 0 | 112.7 | T264 A334 S337 I338 S342 | T264-S340 WeakPolarHBondContact CB-O 3.36Å; T264-S340 PolarHBondContact OG1-O 3.03Å; A334-S340 WeakPolarHBondContact O-CB 3.36Å; S337-S340 WeakPolarHBondContact O-CB 3.21Å; S337-S340 PolarHBondContact O-N 3.32Å; I338-S340 VanDerWaalsContact C-N 3.32Å; I338-S340 PolarHBondContact O-N 3.39Å; S340-S342 VanDerWaalsContact C-N 3.34Å; S340-S342 PolarHBondContact O-N 3.49Å |
| 341 | S | 86.1 | Confident | 83.1 | Confident | 57 Ų | 57 | 37.1 Ų | 37.1 | 40% | 0.399 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -77.2 | -16.6 | -174.3 | 58.6 | 0 | 0 | 0 | 0 | 114.3 | S337 I338 R359 | S337-S341 PolarHBondContact O-N 2.78Å; S337-S341 VanDerWaalsContact O-N 3.12Å; S337-S341 PolarHBondContact O-OG 3.35Å; I338-S341 WeakPolarHBondContact CA-OG 3.43Å; I338-S341 PolarHBondContact O-N 3.49Å; I338-S341 PolarHBondContact O-OG 3.26Å; S341-R359 WeakPolarHBondContact O-CB 3.49Å; S341-R359 WeakPolarHBondContact O-CD 3.45Å |
| 342 | S | 88 | Confident | 84.5 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -80.6 | -16.8 | -178.2 | 52.9 | 0 | 0 | 0 | 0 | 114.7 | I338 L339 S340 L344 Q357 L358 R359 | I338-S342 WeakPolarHBondContact O-CB 3.29Å; I338-S342 PolarHBondContact O-N 3.03Å; I338-S342 PolarHBondContact O-OG 2.74Å; L339-S342 PolarHBondContact O-OG 2.74Å; S340-S342 VanDerWaalsContact C-N 3.34Å; S340-S342 PolarHBondContact O-N 3.49Å; S342-L344 PolarHBondContact O-N 3.11Å; S342-L344 WeakPolarHBondContact OG-CG 3.42Å; S342-Q357 WeakPolarHBondContact O-CG 3.11Å; S342-L358 PolarHBondContact O-N 2.87Å; S342-R359 WeakPolarHBondContact CA-O 3.33Å; S342-R359 PolarHBondContact O-N 3.04Å |
| 343 | A | 90.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 56.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T263 T264 V265 L358 R359 | T263-A343 HydrophobicContact CG2-CB 4.42Å; T264-A343 WeakPolarHBondContact OG1-CA 3.4Å; V265-A343 HydrophobicContact CG2-CB 4.14Å; A343-L358 HydrophobicContact CB-CB 4.17Å; A343-L358 PolarHBondContact O-N 3.29Å; A343-R359 HydrophobicContact CB-CB 4.43Å |
| 344 | L | 94.2 | Very high | 87.1 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 136.4 | -179.7 | -75.3 | 166.3 | 0 | 0 | 0 | 111.7 | L311 L339 S342 I355 Q357 V407 L447 | L311-L344 HydrophobicContact CB-CB 4.01Å; L311-L344 HydrophobicContact CD2-CB 4.38Å; L311-L344 HydrophobicContact CD2-CD1 4.18Å; L311-L344 PolarHBondContact N-O 3.24Å; L339-L344 HydrophobicContact CD2-CD1 3.75Å; S342-L344 PolarHBondContact O-N 3.11Å; S342-L344 WeakPolarHBondContact OG-CG 3.42Å; L344-I355 HydrophobicContact CD2-CG2 3.92Å; L344-Q357 HydrophobicContact CD2-CB 4.06Å; L344-V407 HydrophobicContact CD1-CG1 4.4Å; L344-L447 HydrophobicContact CD1-CD1 3.85Å; L344-L447 HydrophobicContact CD2-CD1 3.8Å; L344-L447 HydrophobicContact CG-CD1 4.26Å |
| 345 | L | 95.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 123.3 | -179.8 | -171.6 | 67.3 | 0 | 0 | 0 | 109.2 | A270 F297 M308 P310 L347 I355 V356 L358 | A270-L345 HydrophobicContact CB-CD1 4.37Å; A270-L345 HydrophobicContact CB-CD2 3.57Å; F297-L345 HydrophobicContact CZ-CD2 4.04Å; M308-L345 HydrophobicContact CG-CD1 3.61Å; M308-L345 HydrophobicContact CG-CD2 4.35Å; M308-L345 HydrophobicContact CG-CG 4.09Å; M308-L345 HydrophobicContact SD-CD1 3.92Å; M308-L345 HydrophobicContact SD-CD2 3.89Å; M308-L345 HydrophobicContact SD-CG 4.27Å; P310-L345 HydrophobicContact CB-CD1 4.11Å; L345-L347 HydrophobicContact CD2-CD2 3.85Å; L345-L347 HydrophobicContact CD2-CG 4.46Å; L345-L347 HydrophobicContact CG-CD2 3.97Å; L345-L347 HydrophobicContact CG-CG 4.44Å; L345-I355 WeakPolarHBondContact O-CA 3.38Å; L345-V356 PolarHBondContact N-O 2.91Å; L345-V356 PolarHBondContact O-N 3.07Å; L345-L358 HydrophobicContact CB-CD1 4.42Å; L345-L358 HydrophobicContact CD2-CD1 4.27Å |
| 346 | A | 96.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 133.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | M308 E309 I355 L380 W382 I394 | M308-A346 VanDerWaalsContact CA-O 3.31Å; M308-A346 WeakPolarHBondContact CA-O 3.48Å; E309-A346 PolarHBondContact N-O 2.96Å; E309-A346 PolarHBondContact O-N 3.35Å; A346-I355 HydrophobicContact CB-CG1 4.42Å; A346-L380 HydrophobicContact CB-CD1 4Å; A346-W382 HydrophobicContact CB-CZ2 3.86Å; A346-I394 HydrophobicContact CB-CD1 3.31Å |
| 347 | L | 96 | Very high | 90.7 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 140.9 | -179.8 | -54.5 | 173.9 | 0 | 0 | 0 | 108.7 | V278 F297 I305 A307 M308 L345 I354 V356 | V278-L347 HydrophobicContact CG1-CD2 4.21Å; V278-L347 HydrophobicContact CG2-CD1 4.17Å; V278-L347 HydrophobicContact CG2-CD2 4.29Å; F297-L347 HydrophobicContact CE2-CD1 4.09Å; F297-L347 HydrophobicContact CZ-CD1 4.44Å; I305-L347 HydrophobicContact CD1-CB 4.19Å; I305-L347 HydrophobicContact CG2-CB 4.19Å; I305-L347 HydrophobicContact CG2-CD2 4.19Å; A307-L347 WeakPolarHBondContact O-CA 3.5Å; M308-L347 HydrophobicContact CB-CD2 3.99Å; M308-L347 HydrophobicContact CG-CD2 3.65Å; M308-L347 HydrophobicContact SD-CD2 3.92Å; L345-L347 HydrophobicContact CD2-CD2 3.85Å; L345-L347 HydrophobicContact CD2-CG 4.46Å; L345-L347 HydrophobicContact CG-CD2 3.97Å; L345-L347 HydrophobicContact CG-CG 4.44Å; L347-I354 HydrophobicContact CB-CB 4.3Å; L347-I354 PolarHBondContact N-O 3.08Å; L347-I354 PolarHBondContact O-N 3.28Å; L347-V356 HydrophobicContact CD1-CG2 3.72Å; L347-V356 HydrophobicContact CG-CG2 4.48Å |
| 348 | A | 95.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 135.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | C306 A307 K352 P378 L380 | C306-A348 PolarHBondContact N-O 3.39Å; A307-A348 HydrophobicContact CB-CB 4.33Å; A307-A348 PolarHBondContact N-O 3.04Å; A307-A348 PolarHBondContact O-N 2.66Å; A348-K352 WeakPolarHBondContact CA-O 3.31Å; A348-P378 HydrophobicContact CB-CB 3.74Å; A348-P378 HydrophobicContact CB-CG 3.71Å; A348-L380 HydrophobicContact CB-CD1 3.79Å; A348-L380 HydrophobicContact CB-CD2 3.97Å; A348-L380 HydrophobicContact CB-CG 3.99Å |
| 349 | S | 92.2 | Very high | 91.7 | Very high | 4 Ų | 4 | 20.6 Ų | 20.6 | 3% | 0.028 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 176.8 | 160.9 | 64.7 | 0 | 0 | 0 | 0 | 108.9 | E304 T351 K352 | E304-S349 WeakPolarHBondContact O-CA 3.2Å; E304-S349 WeakPolarHBondContact O-CB 3.49Å; S349-T351 PolarHBondContact O-N 2.81Å; S349-T351 PolarHBondContact OG-N 3.32Å; S349-K352 PolarHBondContact N-O 2.82Å; S349-K352 PolarHBondContact OG-N 3.33Å; S349-K352 PolarHBondContact OG-O 2.67Å |
| 350 | F | 88 | Confident | 91.6 | Very high | 28 Ų | 28 | 26 Ų | 26 | 12% | 0.123 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -53.5 | -27.1 | 171.5 | -74.7 | -78.9 | 0 | 0 | 0 | 114.3 | L377 R398 L518 A521 | F350-L377 HydrophobicContact CE1-CD2 4.37Å; F350-L377 HydrophobicContact CZ-CD2 4.02Å; F350-R398 PolarHBondContact O-NE 2.98Å; F350-R398 PolarHBondContact O-NH2 3.43Å; F350-L518 HydrophobicContact CE2-CB 4.22Å; F350-L518 HydrophobicContact CE2-CD1 3.86Å; F350-L518 HydrophobicContact CZ-CD1 4.05Å; F350-A521 HydrophobicContact CE1-CB 3.61Å; F350-A521 HydrophobicContact CZ-CB 3.59Å |
| 351 | T | 88.5 | Confident | 91.7 | Very high | 78 Ų | 78 | 35.2 Ų | 35.2 | 48% | 0.479 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -120.7 | -9.2 | -170.4 | 60.6 | 0 | 0 | 0 | 0 | 114.4 | S349 V369 L370 | S349-T351 PolarHBondContact O-N 2.81Å; S349-T351 PolarHBondContact OG-N 3.32Å; T351-V369 CarbonylContact O-C 3.37Å; T351-V369 WeakPolarHBondContact O-CA 3.19Å; T351-V369 WeakPolarHBondContact O-CG1 3.34Å; T351-L370 PolarHBondContact O-N 3.25Å |
| 352 | K | 92 | Very high | 91.9 | Very high | 82 Ų | 82 | 35.1 Ų | 35.1 | 36% | 0.357 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 136.8 | -173.1 | -60.8 | 176.5 | -173.5 | 171.2 | 0 | 111.9 | A348 S349 I354 Q368 | A348-K352 WeakPolarHBondContact CA-O 3.31Å; S349-K352 PolarHBondContact N-O 2.82Å; S349-K352 PolarHBondContact OG-N 3.33Å; S349-K352 PolarHBondContact OG-O 2.67Å; K352-I354 HydrophobicContact CB-CG1 4.23Å; K352-Q368 CarbonylContact C-O 3.51Å; K352-Q368 VanDerWaalsContact CA-O 3.28Å; K352-Q368 WeakPolarHBondContact CA-O 3.42Å |
| 353 | L | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 134.6 | 156.5 | 174.1 | 71.8 | 0 | 0 | 0 | 108.2 | W367 Q368 L380 F396 M405 | L353-W367 CarbonylContact O-C 3.55Å; L353-W367 WeakPolarHBondContact O-CA 3.34Å; L353-Q368 HydrophobicContact CB-CG 3.96Å; L353-Q368 HydrophobicContact CD2-CG 4Å; L353-Q368 HydrophobicContact CG-CG 4.48Å; L353-Q368 PolarHBondContact N-O 3.24Å; L353-Q368 PolarHBondContact O-N 3.36Å; L353-L380 HydrophobicContact CD1-CD2 3.47Å; L353-L380 VanDerWaalsContact CD1-CD2 3.47Å; L353-F396 HydrophobicContact CD1-CG 4.41Å; L353-F396 HydrophobicContact CD2-CD1 3.78Å; L353-F396 HydrophobicContact CD2-CD2 3.95Å; L353-F396 HydrophobicContact CD2-CE1 3.68Å; L353-F396 HydrophobicContact CD2-CE2 3.87Å; L353-F396 HydrophobicContact CD2-CG 3.91Å; L353-F396 HydrophobicContact CD2-CZ 3.73Å; L353-M405 HydrophobicContact CD2-CE 3.81Å |
| 354 | I | 95 | Very high | 92.1 | Very high | 13 Ų | 13 | 44 Ų | 44 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 123.2 | 178.5 | -51.3 | 174.6 | 0 | 0 | 0 | 107.7 | F298 I305 L347 K352 V356 V364 W367 | F298-I354 HydrophobicContact CE2-CD1 3.65Å; F298-I354 HydrophobicContact CZ-CD1 4.06Å; I305-I354 HydrophobicContact CD1-CD1 4.42Å; L347-I354 HydrophobicContact CB-CB 4.3Å; L347-I354 PolarHBondContact N-O 3.08Å; L347-I354 PolarHBondContact O-N 3.28Å; K352-I354 HydrophobicContact CB-CG1 4.23Å; I354-V356 HydrophobicContact CG2-CG2 3.88Å; I354-V364 HydrophobicContact CG2-CG1 3.83Å; I354-V364 HydrophobicContact CG2-CG2 4.2Å; I354-W367 HydrophobicContact CG1-CB 4.47Å |
| 355 | I | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 120 | 173.5 | -59.7 | 178 | 0 | 0 | 0 | 108.1 | L344 L345 A346 S365 H366 W382 M405 F449 | L344-I355 HydrophobicContact CD2-CG2 3.92Å; L345-I355 WeakPolarHBondContact O-CA 3.38Å; A346-I355 HydrophobicContact CB-CG1 4.42Å; I355-S365 PolarHBondContact O-N 3.11Å; I355-H366 HydrophobicContact CB-CB 4.23Å; I355-H366 HydrophobicContact CD1-CB 4.49Å; I355-H366 PolarHBondContact N-O 3.47Å; I355-H366 PolarHBondContact O-N 2.93Å; I355-W382 HydrophobicContact CD1-CH2 4.16Å; I355-W382 HydrophobicContact CD1-CZ2 4.39Å; I355-W382 HydrophobicContact CG2-CZ2 4.4Å; I355-M405 HydrophobicContact CD1-CE 3.35Å; I355-F449 HydrophobicContact CB-CE1 4.27Å; I355-F449 HydrophobicContact CD1-CD1 3.92Å; I355-F449 HydrophobicContact CD1-CE1 3.61Å; I355-F449 HydrophobicContact CG2-CE1 4.01Å; I355-F449 HydrophobicContact CG2-CZ 4.26Å |
| 356 | V | 94.7 | Very high | 91.8 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 132.8 | -176.9 | -175.6 | 0 | 0 | 0 | 0 | 109 | F297 L345 L347 I354 L358 V362 Q363 V364 | F297-V356 HydrophobicContact CD2-CG1 4.44Å; F297-V356 HydrophobicContact CE2-CB 4.48Å; F297-V356 HydrophobicContact CE2-CG1 4Å; F297-V356 HydrophobicContact CE2-CG2 4.25Å; L345-V356 PolarHBondContact N-O 2.91Å; L345-V356 PolarHBondContact O-N 3.07Å; L347-V356 HydrophobicContact CD1-CG2 3.72Å; L347-V356 HydrophobicContact CG-CG2 4.48Å; I354-V356 HydrophobicContact CG2-CG2 3.88Å; V356-L358 HydrophobicContact CG1-CD2 3.93Å; V356-V362 HydrophobicContact CG1-CG1 3.88Å; V356-Q363 CarbonylContact C-O 3.55Å; V356-Q363 WeakPolarHBondContact CA-O 3.44Å; V356-Q363 WeakPolarHBondContact CG1-O 3.16Å; V356-V364 HydrophobicContact CG2-CG2 4.46Å |
| 357 | Q | 93.2 | Very high | 91.6 | Very high | 14 Ų | 14 | 55 Ų | 55 | 7% | 0.065 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 120.2 | 168.8 | 170.6 | 170.2 | 7.9 | 0 | 0 | 108.2 | S342 L344 R359 V362 Q363 S365 | S342-Q357 WeakPolarHBondContact O-CG 3.11Å; L344-Q357 HydrophobicContact CD2-CB 4.06Å; Q357-R359 WeakPolarHBondContact CG-O 3.29Å; Q357-R359 PolarHBondContact NE2-O 2.88Å; Q357-V362 CarbonylContact O-C 3.53Å; Q357-V362 VanDerWaalsContact O-CA 3.27Å; Q357-V362 WeakPolarHBondContact O-CA 3.44Å; Q357-Q363 HydrophobicContact CB-CG 3.97Å; Q357-Q363 HydrophobicContact CG-CG 4.4Å; Q357-Q363 PolarHBondContact N-O 2.89Å; Q357-Q363 PolarHBondContact O-N 3.3Å; Q357-S365 VanDerWaalsContact CB-OG 3.23Å; Q357-S365 WeakPolarHBondContact CB-OG 3.45Å; Q357-S365 PolarHBondContact OE1-OG 2.91Å |
| 358 | L | 92.2 | Very high | 91.4 | Very high | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | trans | -88.6 | -22.1 | -177.4 | -61.6 | 175.9 | 0 | 0 | 0 | 112.9 | T263 L268 F297 S342 A343 L345 V356 R361 V362 | T263-L358 HydrophobicContact CG2-CD1 3.92Å; L268-L358 HydrophobicContact CD2-CB 3.83Å; L268-L358 HydrophobicContact CD2-CD1 3.51Å; L268-L358 HydrophobicContact CD2-CG 4.3Å; F297-L358 HydrophobicContact CD1-CD2 4.47Å; F297-L358 HydrophobicContact CE1-CD2 4Å; F297-L358 HydrophobicContact CZ-CD2 4.03Å; S342-L358 PolarHBondContact O-N 2.87Å; A343-L358 HydrophobicContact CB-CB 4.17Å; A343-L358 PolarHBondContact O-N 3.29Å; L345-L358 HydrophobicContact CB-CD1 4.42Å; L345-L358 HydrophobicContact CD2-CD1 4.27Å; V356-L358 HydrophobicContact CG1-CD2 3.93Å; L358-R361 CarbonylContact O-C 3.55Å; L358-V362 HydrophobicContact CD2-CG1 4.22Å; L358-V362 HydrophobicContact CD2-CG2 4Å | ||
| 359 | R | 89.1 | Confident | 91.2 | Very high | 133 Ų | 133 | 61.4 Ų | 61.4 | 50% | 0.502 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -128.9 | 137.8 | -180 | -169.3 | 178 | 179.7 | 161.9 | 1.4 | 111 | S341 S342 A343 Q357 | S341-R359 WeakPolarHBondContact O-CB 3.49Å; S341-R359 WeakPolarHBondContact O-CD 3.45Å; S342-R359 WeakPolarHBondContact CA-O 3.33Å; S342-R359 PolarHBondContact O-N 3.04Å; A343-R359 HydrophobicContact CB-CB 4.43Å; Q357-R359 WeakPolarHBondContact CG-O 3.29Å; Q357-R359 PolarHBondContact NE2-O 2.88Å |
| 360 | P | 82.6 | Confident | 91 | Very high | 114 Ų | 114 | 61.5 Ų | 61.5 | 74% | 0.74 | 30% | 0.3 | S | S | * | . | S | Bend | cis | -76.6 | -20.9 | 6.2 | 31 | -35.8 | 0 | 0 | 0 | 115 | ||
| 361 | R | 86.9 | Confident | 90.8 | Very high | 205 Ų | 205 | 64.2 Ų | 64.2 | 77% | 0.774 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -137.9 | 150.2 | 174.9 | -66.8 | -178.3 | 177.3 | 171.9 | -1.1 | 108.4 | L358 Q363 | L358-R361 CarbonylContact O-C 3.55Å; R361-Q363 PolarHBondContact O-N 2.9Å |
| 362 | V | 90.2 | Very high | 90.6 | Very high | 55 Ų | 55 | 62 Ų | 62 | 33% | 0.333 | 30% | 0.304 | S | S | . | . | trans | -63.8 | 116.5 | 174.5 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | M295 F297 V356 Q357 L358 | M295-V362 HydrophobicContact CE-CG2 3.94Å; F297-V362 HydrophobicContact CB-CG1 3.93Å; F297-V362 HydrophobicContact CD2-CG1 3.91Å; F297-V362 HydrophobicContact CG-CG1 3.95Å; V356-V362 HydrophobicContact CG1-CG1 3.88Å; Q357-V362 CarbonylContact O-C 3.53Å; Q357-V362 VanDerWaalsContact O-CA 3.27Å; Q357-V362 WeakPolarHBondContact O-CA 3.44Å; L358-V362 HydrophobicContact CD2-CG1 4.22Å; L358-V362 HydrophobicContact CD2-CG2 4Å | ||
| 363 | Q | 91.2 | Very high | 90.2 | Very high | 100 Ų | 100 | 60.1 Ų | 60.1 | 47% | 0.467 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 148.1 | 176 | 66.7 | -179.6 | 9.3 | 0 | 0 | 110.8 | V356 Q357 R361 S365 | V356-Q363 CarbonylContact C-O 3.55Å; V356-Q363 WeakPolarHBondContact CA-O 3.44Å; V356-Q363 WeakPolarHBondContact CG1-O 3.16Å; Q357-Q363 HydrophobicContact CB-CG 3.97Å; Q357-Q363 HydrophobicContact CG-CG 4.4Å; Q357-Q363 PolarHBondContact N-O 2.89Å; Q357-Q363 PolarHBondContact O-N 3.3Å; R361-Q363 PolarHBondContact O-N 2.9Å; Q363-S365 PolarHBondContact O-N 3.44Å |
| 364 | V | 91.5 | Very high | 89.4 | Confident | 87 Ų | 87 | 64.8 Ų | 64.8 | 53% | 0.527 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 112.5 | 170.3 | 179.4 | 0 | 0 | 0 | 0 | 107.9 | I354 V356 W367 | I354-V364 HydrophobicContact CG2-CG1 3.83Å; I354-V364 HydrophobicContact CG2-CG2 4.2Å; V356-V364 HydrophobicContact CG2-CG2 4.46Å; V364-W367 HydrophobicContact CG1-CB 4.36Å |
| 365 | S | 90.3 | Very high | 88.9 | Confident | 35 Ų | 35 | 65.8 Ų | 65.8 | 25% | 0.245 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -33 | 179.8 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | I355 Q357 Q363 | I355-S365 PolarHBondContact O-N 3.11Å; Q357-S365 VanDerWaalsContact CB-OG 3.23Å; Q357-S365 WeakPolarHBondContact CB-OG 3.45Å; Q357-S365 PolarHBondContact OE1-OG 2.91Å; Q363-S365 PolarHBondContact O-N 3.44Å |
| 366 | H | 93.1 | Very high | 88.5 | Confident | 44 Ų | 44 | 67.1 Ų | 67.1 | 20% | 0.204 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 149.2 | 177.4 | -177.1 | 80 | 0 | 0 | 0 | 110.9 | I355 F449 | I355-H366 HydrophobicContact CB-CB 4.23Å; I355-H366 HydrophobicContact CD1-CB 4.49Å; I355-H366 PolarHBondContact N-O 3.47Å; I355-H366 PolarHBondContact O-N 2.93Å; H366-F449 HydrophobicContact CB-CB 4.49Å; H366-F449 HydrophobicContact CB-CD1 3.7Å; H366-F449 HydrophobicContact CB-CD2 3.71Å; H366-F449 HydrophobicContact CB-CE1 3.76Å; H366-F449 HydrophobicContact CB-CE2 3.76Å; H366-F449 HydrophobicContact CB-CG 3.69Å; H366-F449 HydrophobicContact CB-CZ 3.78Å; H366-F449 AromaticContact CG-CD1 3.93Å; H366-F449 AromaticContact CG-CG 3.76Å; H366-F449 AromaticContact ND1-CG 3.83Å |
| 367 | W | 92.3 | Very high | 88.3 | Confident | 154 Ų | 154 | 67.7 Ų | 67.7 | 58% | 0.583 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 149.6 | 167.6 | 74.1 | -84.8 | 0 | 0 | 0 | 110.2 | L353 I354 V364 V369 | L353-W367 CarbonylContact O-C 3.55Å; L353-W367 WeakPolarHBondContact O-CA 3.34Å; I354-W367 HydrophobicContact CG1-CB 4.47Å; V364-W367 HydrophobicContact CG1-CB 4.36Å; W367-V369 HydrophobicContact CZ3-CG2 4.19Å |
| 368 | Q | 91.3 | Very high | 88.3 | Confident | 43 Ų | 43 | 67 Ų | 67 | 20% | 0.201 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 160.2 | 173.1 | 59.5 | 167.9 | 49 | 0 | 0 | 111.7 | K352 L353 | K352-Q368 CarbonylContact C-O 3.51Å; K352-Q368 VanDerWaalsContact CA-O 3.28Å; K352-Q368 WeakPolarHBondContact CA-O 3.42Å; L353-Q368 HydrophobicContact CB-CG 3.96Å; L353-Q368 HydrophobicContact CD2-CG 4Å; L353-Q368 HydrophobicContact CG-CG 4.48Å; L353-Q368 PolarHBondContact N-O 3.24Å; L353-Q368 PolarHBondContact O-N 3.36Å |
| 369 | V | 90.2 | Very high | 88.4 | Confident | 92 Ų | 92 | 67.4 Ų | 67.4 | 56% | 0.558 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 133.4 | 178.1 | -179.7 | 0 | 0 | 0 | 0 | 110 | T351 W367 | T351-V369 CarbonylContact O-C 3.37Å; T351-V369 WeakPolarHBondContact O-CA 3.19Å; T351-V369 WeakPolarHBondContact O-CG1 3.34Å; W367-V369 HydrophobicContact CZ3-CG2 4.19Å |
| 370 | L | 88.2 | Confident | 88.6 | Confident | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -103.4 | 122.2 | 175.8 | -167.8 | 68 | 0 | 0 | 0 | 110.1 | T351 P378 F396 R398 Y403 | T351-L370 PolarHBondContact O-N 3.25Å; L370-P378 HydrophobicContact CD2-CB 3.48Å; L370-P378 VanDerWaalsContact CD2-CB 3.48Å; L370-F396 HydrophobicContact CD1-CD2 3.76Å; L370-F396 HydrophobicContact CD1-CE2 4.16Å; L370-R398 HydrophobicContact CD2-CB 4.1Å; L370-R398 HydrophobicContact CG-CB 4.34Å; L370-Y403 HydrophobicContact CD1-CD2 4.48Å; L370-Y403 HydrophobicContact CD1-CE2 4.46Å |
| 371 | K | 84.5 | Confident | 89.1 | Confident | 85 Ų | 85 | 56.7 Ų | 56.7 | 37% | 0.37 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -94.2 | 148.6 | 177.6 | -64.7 | 179.8 | -178.6 | 174.3 | 0 | 110.1 | ||
| 372 | G | 83.9 | Confident | 89.3 | Confident | 31 Ų | 31 | 47.3 Ų | 47.3 | 32% | 0.32 | 26% | 0.259 | S | S | . | . | trans | 161.2 | 167.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R398 | G372-R398 VanDerWaalsContact C-NH2 3.32Å; G372-R398 PolarHBondContact O-NH1 3.36Å; G372-R398 PolarHBondContact O-NH2 3.33Å | ||
| 373 | P | 83.9 | Confident | 89.3 | Confident | 44 Ų | 44 | 46.1 Ų | 46.1 | 29% | 0.286 | 25% | 0.249 | S | C | . | . | trans | -70.1 | 135 | 175.5 | 25.8 | -32.1 | 0 | 0 | 0 | 112.2 | A375 F376 R398 | P373-A375 PolarHBondContact O-N 3.43Å; P373-A375 VanDerWaalsContact O-N 3.08Å; P373-F376 HydrophobicContact CB-CD2 4.17Å; P373-F376 HydrophobicContact CG-CD2 3.66Å; P373-F376 HydrophobicContact CG-CE2 4.3Å; P373-F376 PolarHBondContact O-N 3.24Å; P373-R398 PolarHBondContact O-NH1 3.02Å | ||
| 374 | P | 78.1 | Confident | 89.1 | Confident | 98 Ų | 98 | 41.5 Ų | 41.5 | 64% | 0.636 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -16.6 | -175.3 | 27.1 | -35.2 | 0 | 0 | 0 | 114.4 | F376 | P374-F376 VanDerWaalsContact C-N 3.25Å; P374-F376 PolarHBondContact O-N 2.87Å |
| 375 | A | 83.4 | Confident | 88.6 | Confident | 33 Ų | 33 | 37.5 Ų | 37.5 | 27% | 0.273 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -10.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P373 F520 A521 | P373-A375 PolarHBondContact O-N 3.43Å; P373-A375 VanDerWaalsContact O-N 3.08Å; A375-F520 HydrophobicContact CB-CD1 4.24Å; A375-F520 HydrophobicContact CB-CE1 3.58Å; A375-F520 HydrophobicContact CB-CZ 4.49Å; A375-A521 WeakPolarHBondContact O-CA 3.46Å |
| 376 | F | 88.2 | Confident | 87.7 | Confident | 28 Ų | 28 | 36.4 Ų | 36.4 | 12% | 0.123 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -122.7 | 138.6 | -172.9 | -65.2 | -90.3 | 0 | 0 | 0 | 111.5 | P373 P374 R398 N460 L462 E477 | P373-F376 HydrophobicContact CB-CD2 4.17Å; P373-F376 HydrophobicContact CG-CD2 3.66Å; P373-F376 HydrophobicContact CG-CE2 4.3Å; P373-F376 PolarHBondContact O-N 3.24Å; P374-F376 VanDerWaalsContact C-N 3.25Å; P374-F376 PolarHBondContact O-N 2.87Å; F376-R398 HydrophobicContact CB-CG 4.48Å; F376-R398 VanDerWaalsContact O-CD 3.27Å; F376-R398 WeakPolarHBondContact O-CD 3.44Å; F376-R398 WeakPolarHBondContact O-CG 3.28Å; F376-N460 HydrophobicContact CD1-CB 4.04Å; F376-N460 HydrophobicContact CD2-CB 4.31Å; F376-N460 HydrophobicContact CE1-CB 3.77Å; F376-N460 HydrophobicContact CE2-CB 4.03Å; F376-N460 WeakPolarHBondContact CE2-ND2 3.36Å; F376-N460 HydrophobicContact CG-CB 4.31Å; F376-N460 HydrophobicContact CZ-CB 3.77Å; F376-L462 HydrophobicContact CE1-CD2 4.39Å; F376-E477 HydrophobicContact CE1-CG 3.62Å; F376-E477 HydrophobicContact CZ-CG 3.92Å; F376-E477 WeakPolarHBondContact CZ-OE1 3.48Å |
| 377 | L | 90.7 | Very high | 86.5 | Confident | 15 Ų | 15 | 38.2 Ų | 38.2 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | trans | -69.8 | 147.7 | 171.8 | -66 | 177.6 | 0 | 0 | 0 | 110.8 | C306 F350 F379 F509 L518 A521 A525 | C306-L377 HydrophobicContact CB-CD2 4.01Å; F350-L377 HydrophobicContact CE1-CD2 4.37Å; F350-L377 HydrophobicContact CZ-CD2 4.02Å; L377-F379 HydrophobicContact CB-CE2 4.44Å; L377-F379 HydrophobicContact CB-CZ 4.31Å; L377-F379 WeakPolarHBondContact O-CD2 3.39Å; L377-F379 VanDerWaalsContact O-CE2 3.25Å; L377-F379 WeakPolarHBondContact O-CE2 3.45Å; L377-F509 HydrophobicContact CD1-CZ 4.19Å; L377-L518 HydrophobicContact CD2-CD1 3.75Å; L377-A521 HydrophobicContact CD2-CB 3.84Å; L377-A521 HydrophobicContact CG-CB 4.15Å; L377-A525 HydrophobicContact CD1-CB 3.73Å | ||
| 378 | P | 92.8 | Very high | 85.8 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 147.4 | 169.1 | 32.4 | -34.7 | 0 | 0 | 0 | 110.7 | C306 A307 A348 L370 G397 R398 | C306-P378 WeakPolarHBondContact SG-CD 3.09Å; C306-P378 WeakPolarHBondContact SG-CG 3.35Å; A307-P378 HydrophobicContact CB-CG 4.24Å; A307-P378 WeakPolarHBondContact CB-O 3.36Å; A348-P378 HydrophobicContact CB-CB 3.74Å; A348-P378 HydrophobicContact CB-CG 3.71Å; L370-P378 HydrophobicContact CD2-CB 3.48Å; L370-P378 VanDerWaalsContact CD2-CB 3.48Å; P378-G397 WeakPolarHBondContact CA-O 3.3Å; P378-R398 HydrophobicContact CB-CB 4.44Å |
| 379 | F | 93.1 | Very high | 85 | Confident | 14 Ų | 14 | 32.2 Ų | 32.2 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 145.5 | 172.9 | -65 | -83 | 0 | 0 | 0 | 110.6 | L377 F396 G397 F461 L462 L464 | L377-F379 HydrophobicContact CB-CE2 4.44Å; L377-F379 HydrophobicContact CB-CZ 4.31Å; L377-F379 WeakPolarHBondContact O-CD2 3.39Å; L377-F379 VanDerWaalsContact O-CE2 3.25Å; L377-F379 WeakPolarHBondContact O-CE2 3.45Å; F379-F396 CarbonylContact O-C 3.57Å; F379-F396 WeakPolarHBondContact O-CA 3.36Å; F379-G397 PolarHBondContact N-O 3.14Å; F379-G397 PolarHBondContact O-N 3.12Å; F379-F461 HydrophobicContact CB-CE2 4.28Å; F379-F461 AromaticContact CD2-CD2 3.85Å; F379-F461 HydrophobicContact CD2-CD2 3.85Å; F379-F461 AromaticContact CD2-CE2 3.77Å; F379-F461 HydrophobicContact CD2-CE2 3.77Å; F379-F461 HydrophobicContact CE2-CD2 4.48Å; F379-F461 HydrophobicContact CG-CE2 4.44Å; F379-L462 WeakPolarHBondContact CE1-O 3.41Å; F379-L462 WeakPolarHBondContact CE2-O 3.39Å; F379-L462 VanDerWaalsContact CZ-C 3.47Å; F379-L462 WeakPolarHBondContact CZ-O 3.31Å; F379-L464 HydrophobicContact CB-CB 3.87Å |
| 380 | L | 93.4 | Very high | 84.6 | Confident | 8 Ų | 8 | 31.2 Ų | 31.2 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 144.6 | -179.9 | -57.1 | 176.4 | 0 | 0 | 0 | 107.7 | A307 E309 A346 A348 L353 I394 A395 F396 | A307-L380 HydrophobicContact CB-CD1 4.28Å; A307-L380 HydrophobicContact CB-CG 4.29Å; E309-L380 HydrophobicContact CB-CB 4.2Å; E309-L380 HydrophobicContact CG-CB 4.15Å; E309-L380 VanDerWaalsContact CG-O 3.27Å; E309-L380 WeakPolarHBondContact CG-O 3.29Å; A346-L380 HydrophobicContact CB-CD1 4Å; A348-L380 HydrophobicContact CB-CD1 3.79Å; A348-L380 HydrophobicContact CB-CD2 3.97Å; A348-L380 HydrophobicContact CB-CG 3.99Å; L353-L380 HydrophobicContact CD1-CD2 3.47Å; L353-L380 VanDerWaalsContact CD1-CD2 3.47Å; L380-I394 HydrophobicContact CD2-CD1 4.48Å; L380-A395 CarbonylContact C-O 3.56Å; L380-A395 WeakPolarHBondContact CA-O 3.44Å; L380-F396 HydrophobicContact CD2-CB 3.37Å; L380-F396 HydrophobicContact CD2-CG 4.44Å |
| 381 | N | 92.8 | Very high | 84.6 | Confident | 14 Ų | 14 | 33.5 Ų | 33.5 | 8% | 0.075 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 134.6 | 166.5 | -162.2 | -113.8 | 0 | 0 | 0 | 111.8 | I394 A395 K465 W466 | N381-I394 WeakPolarHBondContact O-CA 3.35Å; N381-A395 PolarHBondContact N-O 3.4Å; N381-A395 PolarHBondContact O-N 3.34Å; N381-K465 WeakPolarHBondContact ND2-CD 3.27Å; N381-W466 PolarHBondContact O-NE1 3.44Å; N381-W466 WeakPolarHBondContact OD1-CB 3.24Å; N381-W466 VanDerWaalsContact OD1-CD1 3.32Å; N381-W466 PolarHBondContact OD1-N 2.77Å |
| 382 | W | 91.8 | Very high | 84.8 | Confident | 8 Ų | 8 | 29.4 Ų | 29.4 | 3% | 0.03 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 146.4 | 178 | -72.4 | 100.2 | 0 | 0 | 0 | 112 | E309 P310 L311 A346 I355 A392 F393 I394 V407 | E309-W382 PolarHBondContact O-NE1 3.23Å; E309-W382 VanDerWaalsContact O-NE1 3.08Å; P310-W382 VanDerWaalsContact C-CD1 3.45Å; L311-W382 HydrophobicContact CB-CD2 4.49Å; L311-W382 HydrophobicContact CD1-CB 4.25Å; L311-W382 HydrophobicContact CD1-CD2 3.78Å; L311-W382 HydrophobicContact CD1-CE3 3.53Å; L311-W382 HydrophobicContact CD1-CG 4.13Å; L311-W382 HydrophobicContact CD1-CZ3 4.1Å; A346-W382 HydrophobicContact CB-CZ2 3.86Å; I355-W382 HydrophobicContact CD1-CH2 4.16Å; I355-W382 HydrophobicContact CD1-CZ2 4.39Å; I355-W382 HydrophobicContact CG2-CZ2 4.4Å; W382-A392 HydrophobicContact CE3-CB 4.26Å; W382-A392 HydrophobicContact CZ3-CB 4.2Å; W382-F393 CarbonylContact C-O 3.58Å; W382-F393 WeakPolarHBondContact CA-O 3.26Å; W382-I394 HydrophobicContact CD2-CB 4.01Å; W382-I394 HydrophobicContact CD2-CD1 4.19Å; W382-I394 HydrophobicContact CD2-CG1 4.23Å; W382-I394 HydrophobicContact CE3-CB 3.73Å; W382-I394 HydrophobicContact CE3-CG1 4.46Å; W382-I394 HydrophobicContact CH2-CB 4.16Å; W382-I394 HydrophobicContact CH2-CD1 4.33Å; W382-I394 HydrophobicContact CH2-CG2 4.35Å; W382-I394 HydrophobicContact CZ2-CB 4.42Å; W382-I394 HydrophobicContact CZ2-CD1 3.84Å; W382-I394 HydrophobicContact CZ3-CB 3.81Å; W382-I394 HydrophobicContact CZ3-CG2 4.23Å; W382-V407 HydrophobicContact CH2-CG2 3.83Å; W382-V407 HydrophobicContact CZ3-CB 4.3Å; W382-V407 HydrophobicContact CZ3-CG2 3.7Å |
| 383 | Y | 89.8 | Confident | 85.3 | Confident | 29 Ų | 29 | 29 Ų | 29 | 11% | 0.114 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 121.9 | 163.9 | -174.4 | -86.2 | 0 | 0 | 0 | 109.8 | N314 F393 W466 F469 | N314-Y383 HydrophobicContact CB-CE2 4.43Å; N314-Y383 WeakPolarHBondContact ND2-CD2 3.31Å; Y383-F393 HydrophobicContact CD1-CD2 4.37Å; Y383-F393 PolarHBondContact N-O 2.69Å; Y383-F393 PolarHBondContact O-N 2.73Å; Y383-W466 HydrophobicContact CD2-CB 4.09Å; Y383-W466 HydrophobicContact CD2-CD2 4.38Å; Y383-W466 HydrophobicContact CD2-CE3 4.34Å; Y383-W466 HydrophobicContact CD2-CG 4.33Å; Y383-W466 HydrophobicContact CG-CD2 4.34Å; Y383-W466 HydrophobicContact CG-CE3 4.46Å; Y383-W466 HydrophobicContact CG-CG 4.47Å; Y383-F469 HydrophobicContact CD1-CB 4.44Å; Y383-F469 AromaticContact CD1-CD2 3.75Å; Y383-F469 HydrophobicContact CD1-CD2 3.75Å; Y383-F469 HydrophobicContact CE1-CB 3.6Å; Y383-F469 AromaticContact CE1-CD2 3.48Å; Y383-F469 HydrophobicContact CE1-CD2 3.48Å; Y383-F469 VanDerWaalsContact CE1-CD2 3.48Å; Y383-F469 AromaticContact CE1-CG 3.96Å; Y383-F469 HydrophobicContact CE1-CG 3.96Å; Y383-F469 HydrophobicContact CE2-CB 4.32Å; Y383-F469 VanDerWaalsContact CZ-CA 3.48Å; Y383-F469 WeakPolarHBondContact OH-CB 3.34Å; Y383-F469 PolarHBondContact OH-N 3.2Å |
| 384 | W | 87.5 | Confident | 85.7 | Confident | 3 Ų | 3 | 26.9 Ų | 26.9 | 1% | 0.011 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 123.1 | 176.5 | -176.4 | 41.7 | 0 | 0 | 0 | 109.7 | T264 L311 L313 N314 A334 L339 P389 N391 A392 | T264-W384 HydrophobicContact CG2-CZ3 4.25Å; L311-W384 HydrophobicContact CD1-CB 3.88Å; L311-W384 HydrophobicContact CD1-CD2 4.46Å; L311-W384 HydrophobicContact CD1-CE3 4.49Å; L311-W384 HydrophobicContact CD1-CG 4.22Å; L311-W384 HydrophobicContact CD2-CD2 4.32Å; L311-W384 HydrophobicContact CD2-CE3 4.14Å; L311-W384 HydrophobicContact CG-CD2 4.42Å; L311-W384 HydrophobicContact CG-CE3 4.06Å; L313-W384 HydrophobicContact CB-CE3 4.05Å; L313-W384 HydrophobicContact CB-CZ3 4.08Å; L313-W384 HydrophobicContact CD1-CD2 3.93Å; L313-W384 HydrophobicContact CD1-CE3 3.71Å; L313-W384 HydrophobicContact CD1-CH2 4.08Å; L313-W384 HydrophobicContact CD1-CZ2 4.33Å; L313-W384 HydrophobicContact CD1-CZ3 3.8Å; N314-W384 PolarHBondContact N-O 3.46Å; A334-W384 HydrophobicContact CB-CZ2 4.5Å; L339-W384 HydrophobicContact CB-CZ2 4.18Å; W384-P389 PolarHBondContact NE1-O 2.97Å; W384-N391 VanDerWaalsContact CD1-O 3.28Å; W384-A392 HydrophobicContact CB-CB 4.08Å; W384-A392 HydrophobicContact CG-CB 4.06Å |
| 385 | S | 80.4 | Confident | 86.5 | Confident | 4 Ų | 4 | 22.2 Ų | 22.2 | 3% | 0.028 | 12% | 0.124 | C | C | . | . | B | Isolated β-bridge | trans | -109.7 | 150.1 | -179.5 | -178.9 | 0 | 0 | 0 | 0 | 111 | S316 D387 S388 | S316-S385 WeakPolarHBondContact CB-OG 3.27Å; S385-D387 PolarHBondContact O-N 3.1Å; S385-D387 PolarHBondContact OG-N 2.72Å; S385-D387 PolarHBondContact OG-OD2 2.85Å; S385-S388 CarbonylContact O-C 3.54Å; S385-S388 PolarHBondContact O-N 3.29Å |
| 386 | A | 71.2 | Confident | 87 | Confident | 12 Ų | 12 | 20.7 Ų | 20.7 | 10% | 0.099 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -25.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L313 A334 S388 P389 | L313-A386 HydrophobicContact CD1-CB 4.38Å; A334-A386 HydrophobicContact CB-CB 4.36Å; A386-S388 PolarHBondContact O-N 2.99Å; A386-P389 WeakPolarHBondContact O-CD 3.23Å |
| 387 | D | 68 | Low | 87.2 | Confident | 82 Ų | 82 | 19.3 Ų | 19.3 | 44% | 0.439 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -21.8 | 178.7 | -53.9 | -47.6 | 0 | 0 | 0 | 112.9 | S316 S385 | S316-D387 PolarHBondContact OG-OD2 3.22Å; S385-D387 PolarHBondContact O-N 3.1Å; S385-D387 PolarHBondContact OG-N 2.72Å; S385-D387 PolarHBondContact OG-OD2 2.85Å |
| 388 | S | 77.5 | Confident | 87.2 | Confident | 39 Ų | 39 | 19.3 Ų | 19.3 | 27% | 0.273 | 11% | 0.105 | S | C | . | . | S | Bend | trans | -135.9 | 71.1 | -179.7 | 52 | 0 | 0 | 0 | 0 | 110.3 | S385 A386 D390 N391 | S385-S388 CarbonylContact O-C 3.54Å; S385-S388 PolarHBondContact O-N 3.29Å; A386-S388 PolarHBondContact O-N 2.99Å; S388-D390 PolarHBondContact O-N 3.01Å; S388-N391 PolarHBondContact O-N 2.9Å |
| 389 | P | 75 | Confident | 87 | Confident | 31 Ų | 31 | 19.3 Ų | 19.3 | 20% | 0.201 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -20.3 | -168.2 | 26.9 | -35.3 | 0 | 0 | 0 | 113.5 | A334 S337 W384 A386 | A334-P389 HydrophobicContact CB-CB 4.39Å; S337-P389 VanDerWaalsContact CB-O 3.3Å; S337-P389 WeakPolarHBondContact CB-O 3.3Å; S337-P389 PolarHBondContact OG-O 2.78Å; W384-P389 PolarHBondContact NE1-O 2.97Å; A386-P389 WeakPolarHBondContact O-CD 3.23Å |
| 390 | D | 82.2 | Confident | 86.8 | Confident | 71 Ų | 71 | 20.2 Ų | 20.2 | 38% | 0.38 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -0.1 | 179.6 | -73.7 | -31.7 | 0 | 0 | 0 | 114.5 | L339 S388 S408 K409 | L339-D390 VanDerWaalsContact CD1-C 3.5Å; S388-D390 PolarHBondContact O-N 3.01Å; D390-S408 WeakPolarHBondContact O-CA 3.2Å; D390-K409 HydrophobicContact CB-CB 4.45Å; D390-K409 PolarHBondContact O-N 3.32Å |
| 391 | N | 87.3 | Confident | 86.6 | Confident | 53 Ų | 53 | 22.1 Ų | 22.1 | 28% | 0.283 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 120.7 | -179.9 | -72 | -53.3 | 0 | 0 | 0 | 112 | W384 S388 F393 Q406 V407 S408 | W384-N391 VanDerWaalsContact CD1-O 3.28Å; S388-N391 PolarHBondContact O-N 2.9Å; N391-F393 HydrophobicContact CB-CE2 4.31Å; N391-Q406 PolarHBondContact OD1-NE2 2.81Å; N391-V407 WeakPolarHBondContact CA-O 3.32Å; N391-S408 VanDerWaalsContact OD1-CB 3.24Å; N391-S408 WeakPolarHBondContact OD1-CB 3.4Å |
| 392 | A | 90.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 153.8 | 170 | 0 | 0 | 0 | 0 | 0 | 110.6 | L311 L339 W382 W384 Q406 V407 | L311-A392 HydrophobicContact CD1-CB 3.7Å; L339-A392 HydrophobicContact CD1-CB 4.01Å; W382-A392 HydrophobicContact CE3-CB 4.26Å; W382-A392 HydrophobicContact CZ3-CB 4.2Å; W384-A392 HydrophobicContact CB-CB 4.08Å; W384-A392 HydrophobicContact CG-CB 4.06Å; A392-Q406 CarbonylContact O-C 3.59Å; A392-V407 PolarHBondContact N-O 2.8Å; A392-V407 PolarHBondContact O-N 3.25Å |
| 393 | F | 92.5 | Very high | 86.6 | Confident | 22 Ų | 22 | 22.8 Ų | 22.8 | 10% | 0.096 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 139.7 | 179.4 | -58.3 | -94.1 | 0 | 0 | 0 | 109.3 | W382 Y383 N391 M405 Q406 L452 W466 F469 | W382-F393 CarbonylContact C-O 3.58Å; W382-F393 WeakPolarHBondContact CA-O 3.26Å; Y383-F393 HydrophobicContact CD1-CD2 4.37Å; Y383-F393 PolarHBondContact N-O 2.69Å; Y383-F393 PolarHBondContact O-N 2.73Å; N391-F393 HydrophobicContact CB-CE2 4.31Å; F393-M405 CarbonylContact C-O 3.59Å; F393-M405 WeakPolarHBondContact CA-O 3.36Å; F393-Q406 HydrophobicContact CD1-CB 4.07Å; F393-Q406 HydrophobicContact CD1-CG 4.27Å; F393-Q406 HydrophobicContact CE1-CB 3.94Å; F393-Q406 HydrophobicContact CE1-CG 3.8Å; F393-Q406 HydrophobicContact CZ-CG 4.21Å; F393-L452 HydrophobicContact CD1-CD1 4.05Å; F393-L452 HydrophobicContact CE1-CD1 3.74Å; F393-W466 HydrophobicContact CB-CZ2 4.35Å; F393-F469 HydrophobicContact CD2-CD2 4.35Å; F393-F469 AromaticContact CD2-CE2 3.77Å; F393-F469 HydrophobicContact CD2-CE2 3.77Å; F393-F469 HydrophobicContact CE1-CE2 4.28Å; F393-F469 HydrophobicContact CE2-CD2 4.29Å; F393-F469 AromaticContact CE2-CE2 3.4Å; F393-F469 HydrophobicContact CE2-CE2 3.4Å; F393-F469 VanDerWaalsContact CE2-CE2 3.4Å; F393-F469 HydrophobicContact CE2-CZ 4.19Å; F393-F469 HydrophobicContact CG-CE2 4.39Å; F393-F469 AromaticContact CZ-CE2 3.67Å; F393-F469 HydrophobicContact CZ-CE2 3.67Å; F393-F469 HydrophobicContact CZ-CZ 4.06Å |
| 394 | I | 93.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 126 | 171.2 | -174.1 | 170.1 | 0 | 0 | 0 | 109.1 | A346 L380 N381 W382 F396 I404 M405 | A346-I394 HydrophobicContact CB-CD1 3.31Å; L380-I394 HydrophobicContact CD2-CD1 4.48Å; N381-I394 WeakPolarHBondContact O-CA 3.35Å; W382-I394 HydrophobicContact CD2-CB 4.01Å; W382-I394 HydrophobicContact CD2-CD1 4.19Å; W382-I394 HydrophobicContact CD2-CG1 4.23Å; W382-I394 HydrophobicContact CE3-CB 3.73Å; W382-I394 HydrophobicContact CE3-CG1 4.46Å; W382-I394 HydrophobicContact CH2-CB 4.16Å; W382-I394 HydrophobicContact CH2-CD1 4.33Å; W382-I394 HydrophobicContact CH2-CG2 4.35Å; W382-I394 HydrophobicContact CZ2-CB 4.42Å; W382-I394 HydrophobicContact CZ2-CD1 3.84Å; W382-I394 HydrophobicContact CZ3-CB 3.81Å; W382-I394 HydrophobicContact CZ3-CG2 4.23Å; I394-F396 HydrophobicContact CG1-CD1 4.37Å; I394-F396 HydrophobicContact CG2-CD1 4.17Å; I394-F396 HydrophobicContact CG2-CE1 4.42Å; I394-I404 WeakPolarHBondContact O-CA 3.37Å; I394-M405 HydrophobicContact CG2-CB 3.86Å; I394-M405 HydrophobicContact CG2-CE 3.69Å; I394-M405 HydrophobicContact CG2-CG 4.44Å; I394-M405 PolarHBondContact N-O 2.91Å; I394-M405 PolarHBondContact O-N 3.03Å |
| 395 | A | 93.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 132.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | L380 N381 Y403 I404 L464 W466 L472 | L380-A395 CarbonylContact C-O 3.56Å; L380-A395 WeakPolarHBondContact CA-O 3.44Å; N381-A395 PolarHBondContact N-O 3.4Å; N381-A395 PolarHBondContact O-N 3.34Å; A395-Y403 CarbonylContact C-O 3.56Å; A395-Y403 VanDerWaalsContact CA-O 3.31Å; A395-Y403 WeakPolarHBondContact CA-O 3.36Å; A395-I404 HydrophobicContact CB-CG1 4.41Å; A395-L464 HydrophobicContact CB-CD2 3.94Å; A395-L464 HydrophobicContact CB-CG 4.45Å; A395-W466 HydrophobicContact CB-CZ2 4.24Å; A395-W466 VanDerWaalsContact CB-NE1 3.27Å; A395-L472 HydrophobicContact CB-CD1 3.85Å |
| 396 | F | 94.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 153 | 177.8 | 61.9 | -86.4 | 0 | 0 | 0 | 111.7 | L353 L370 F379 L380 I394 Y403 M405 L451 | L353-F396 HydrophobicContact CD1-CG 4.41Å; L353-F396 HydrophobicContact CD2-CD1 3.78Å; L353-F396 HydrophobicContact CD2-CD2 3.95Å; L353-F396 HydrophobicContact CD2-CE1 3.68Å; L353-F396 HydrophobicContact CD2-CE2 3.87Å; L353-F396 HydrophobicContact CD2-CG 3.91Å; L353-F396 HydrophobicContact CD2-CZ 3.73Å; L370-F396 HydrophobicContact CD1-CD2 3.76Å; L370-F396 HydrophobicContact CD1-CE2 4.16Å; F379-F396 CarbonylContact O-C 3.57Å; F379-F396 WeakPolarHBondContact O-CA 3.36Å; L380-F396 HydrophobicContact CD2-CB 3.37Å; L380-F396 HydrophobicContact CD2-CG 4.44Å; I394-F396 HydrophobicContact CG1-CD1 4.37Å; I394-F396 HydrophobicContact CG2-CD1 4.17Å; I394-F396 HydrophobicContact CG2-CE1 4.42Å; F396-Y403 AromaticContact CD2-CD2 3.92Å; F396-Y403 HydrophobicContact CD2-CD2 3.92Å; F396-Y403 HydrophobicContact CD2-CG 4.26Å; F396-Y403 AromaticContact CE2-CD2 3.56Å; F396-Y403 HydrophobicContact CE2-CD2 3.56Å; F396-Y403 AromaticContact CE2-CG 3.61Å; F396-Y403 HydrophobicContact CE2-CG 3.61Å; F396-Y403 HydrophobicContact CZ-CD2 4.33Å; F396-Y403 AromaticContact CZ-CG 3.91Å; F396-Y403 HydrophobicContact CZ-CG 3.91Å; F396-Y403 PolarHBondContact N-O 3.01Å; F396-Y403 WeakPolarHBondContact O-CB 3.27Å; F396-Y403 PolarHBondContact O-N 3.3Å; F396-M405 HydrophobicContact CE1-CB 3.82Å; F396-M405 HydrophobicContact CE1-CE 4.18Å; F396-L451 HydrophobicContact CZ-CD1 4.18Å |
| 397 | G | 91.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.4 | 174.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | P378 F379 I401 | P378-G397 WeakPolarHBondContact CA-O 3.3Å; F379-G397 PolarHBondContact N-O 3.14Å; F379-G397 PolarHBondContact O-N 3.12Å; G397-I401 WeakPolarHBondContact CA-O 3.44Å |
| 398 | R | 90.7 | Very high | 89.6 | Confident | 15 Ų | 15 | 20.1 Ų | 20.1 | 6% | 0.057 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 131.1 | 176.3 | -171.4 | 166.7 | 70.1 | 99.4 | -4.9 | 110.7 | F350 L370 G372 P373 F376 P378 S400 I401 | F350-R398 PolarHBondContact O-NE 2.98Å; F350-R398 PolarHBondContact O-NH2 3.43Å; L370-R398 HydrophobicContact CD2-CB 4.1Å; L370-R398 HydrophobicContact CG-CB 4.34Å; G372-R398 VanDerWaalsContact C-NH2 3.32Å; G372-R398 PolarHBondContact O-NH1 3.36Å; G372-R398 PolarHBondContact O-NH2 3.33Å; P373-R398 PolarHBondContact O-NH1 3.02Å; F376-R398 HydrophobicContact CB-CG 4.48Å; F376-R398 VanDerWaalsContact O-CD 3.27Å; F376-R398 WeakPolarHBondContact O-CD 3.44Å; F376-R398 WeakPolarHBondContact O-CG 3.28Å; P378-R398 HydrophobicContact CB-CB 4.44Å; R398-S400 PolarHBondContact O-N 3.23Å; R398-I401 PolarHBondContact N-O 3.21Å |
| 399 | G | 88.8 | Confident | 89.8 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | -110.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | N460 F461 | G399-N460 VanDerWaalsContact CA-OD1 3.28Å; G399-N460 WeakPolarHBondContact CA-OD1 3.43Å; G399-N460 CarbonylContact O-C 3.55Å; G399-N460 VanDerWaalsContact O-CA 3.22Å; G399-N460 WeakPolarHBondContact O-CA 3.47Å; G399-N460 WeakPolarHBondContact O-CB 3.42Å; G399-F461 WeakPolarHBondContact O-CD1 3.5Å; G399-F461 WeakPolarHBondContact O-CE1 3.31Å; G399-F461 WeakPolarHBondContact O-CG 3.47Å; G399-F461 PolarHBondContact O-N 3.48Å |
| 400 | S | 89.3 | Confident | 89.8 | Confident | 34 Ų | 34 | 24.8 Ų | 24.8 | 24% | 0.238 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 4.7 | -175.4 | 61.7 | 0 | 0 | 0 | 0 | 114.3 | R398 S456 F457 N460 | R398-S400 PolarHBondContact O-N 3.23Å; S400-S456 CarbonylContact O-C 3.59Å; S400-S456 VanDerWaalsContact O-CA 3.3Å; S400-S456 WeakPolarHBondContact O-CA 3.4Å; S400-F457 WeakPolarHBondContact CB-O 3.22Å; S400-F457 WeakPolarHBondContact O-CD2 3.32Å; S400-F457 PolarHBondContact O-N 3.3Å; S400-N460 PolarHBondContact N-OD1 2.85Å; S400-N460 VanDerWaalsContact N-OD1 3.15Å |
| 401 | I | 90.1 | Very high | 88.7 | Confident | 48 Ų | 48 | 23.9 Ų | 23.9 | 25% | 0.246 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 129.4 | -176.1 | -52.6 | 174.5 | 0 | 0 | 0 | 110.5 | G397 R398 Y403 F455 F461 | G397-I401 WeakPolarHBondContact CA-O 3.44Å; R398-I401 PolarHBondContact N-O 3.21Å; I401-Y403 HydrophobicContact CB-CE2 4.32Å; I401-Y403 HydrophobicContact CG2-CD2 4.22Å; I401-Y403 HydrophobicContact CG2-CE1 4.12Å; I401-Y403 HydrophobicContact CG2-CE2 3.59Å; I401-F455 WeakPolarHBondContact CA-O 3.5Å; I401-F461 WeakPolarHBondContact O-CZ 3.44Å |
| 402 | V | 91.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 138.7 | 172 | 175.3 | 0 | 0 | 0 | 0 | 109.8 | S454 F455 F457 F461 L464 L472 | V402-S454 CarbonylContact O-C 3.57Å; V402-S454 VanDerWaalsContact O-CA 3.28Å; V402-S454 WeakPolarHBondContact O-CA 3.24Å; V402-F455 PolarHBondContact N-O 2.85Å; V402-F455 PolarHBondContact O-N 3.33Å; V402-F457 HydrophobicContact CB-CE2 3.9Å; V402-F457 HydrophobicContact CG2-CD2 4.28Å; V402-F457 HydrophobicContact CG2-CE2 3.52Å; V402-F457 HydrophobicContact CG2-CZ 4.4Å; V402-F461 HydrophobicContact CG2-CD1 4.12Å; V402-F461 HydrophobicContact CG2-CE1 3.43Å; V402-F461 VanDerWaalsContact CG2-CE1 3.43Å; V402-F461 HydrophobicContact CG2-CE2 4.46Å; V402-F461 HydrophobicContact CG2-CZ 3.63Å; V402-L464 HydrophobicContact CG1-CD1 4.33Å; V402-L464 HydrophobicContact CG1-CD2 4.15Å; V402-L464 HydrophobicContact CG2-CD1 4.2Å; V402-L464 HydrophobicContact CG2-CD2 4.31Å; V402-L472 HydrophobicContact CG1-CD2 4.04Å |
| 403 | Y | 92.9 | Very high | 85 | Confident | 36 Ų | 36 | 32 Ų | 32 | 14% | 0.141 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 142.2 | 177.4 | -62.7 | -81.4 | 0 | 0 | 0 | 109.3 | L370 A395 F396 I401 L451 Y453 | L370-Y403 HydrophobicContact CD1-CD2 4.48Å; L370-Y403 HydrophobicContact CD1-CE2 4.46Å; A395-Y403 CarbonylContact C-O 3.56Å; A395-Y403 VanDerWaalsContact CA-O 3.31Å; A395-Y403 WeakPolarHBondContact CA-O 3.36Å; F396-Y403 AromaticContact CD2-CD2 3.92Å; F396-Y403 HydrophobicContact CD2-CD2 3.92Å; F396-Y403 HydrophobicContact CD2-CG 4.26Å; F396-Y403 AromaticContact CE2-CD2 3.56Å; F396-Y403 HydrophobicContact CE2-CD2 3.56Å; F396-Y403 AromaticContact CE2-CG 3.61Å; F396-Y403 HydrophobicContact CE2-CG 3.61Å; F396-Y403 HydrophobicContact CZ-CD2 4.33Å; F396-Y403 AromaticContact CZ-CG 3.91Å; F396-Y403 HydrophobicContact CZ-CG 3.91Å; F396-Y403 PolarHBondContact N-O 3.01Å; F396-Y403 WeakPolarHBondContact O-CB 3.27Å; F396-Y403 PolarHBondContact O-N 3.3Å; I401-Y403 HydrophobicContact CB-CE2 4.32Å; I401-Y403 HydrophobicContact CG2-CD2 4.22Å; I401-Y403 HydrophobicContact CG2-CE1 4.12Å; I401-Y403 HydrophobicContact CG2-CE2 3.59Å; Y403-L451 HydrophobicContact CD1-CD1 4.09Å; Y403-L451 HydrophobicContact CD1-CD2 4.34Å; Y403-L451 HydrophobicContact CG-CD1 4.44Å; Y403-Y453 WeakPolarHBondContact CA-O 3.39Å |
| 404 | I | 93.2 | Very high | 82.5 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 122.2 | 173.2 | -61.9 | 177.3 | 0 | 0 | 0 | 108.7 | I394 A395 L452 Y453 F455 W466 S486 | I394-I404 WeakPolarHBondContact O-CA 3.37Å; A395-I404 HydrophobicContact CB-CG1 4.41Å; I404-L452 PolarHBondContact O-N 3.33Å; I404-Y453 HydrophobicContact CB-CD2 4.35Å; I404-Y453 HydrophobicContact CD1-CD2 4.43Å; I404-Y453 HydrophobicContact CG2-CD2 4.44Å; I404-Y453 PolarHBondContact N-O 3.04Å; I404-Y453 PolarHBondContact O-N 3.03Å; I404-F455 HydrophobicContact CD1-CE2 3.88Å; I404-W466 HydrophobicContact CD1-CH2 4.24Å; I404-W466 HydrophobicContact CD1-CZ2 4.22Å; I404-W466 HydrophobicContact CG1-CZ2 4.5Å; I404-W466 HydrophobicContact CG2-CZ2 4.29Å; I404-S486 WeakPolarHBondContact CD1-O 3.42Å |
| 405 | M | 93.6 | Very high | 79.9 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 133 | 178.8 | 177.1 | 169.2 | 63.6 | 0 | 0 | 110.6 | L353 I355 F393 I394 F396 F449 R450 L451 | L353-M405 HydrophobicContact CD2-CE 3.81Å; I355-M405 HydrophobicContact CD1-CE 3.35Å; F393-M405 CarbonylContact C-O 3.59Å; F393-M405 WeakPolarHBondContact CA-O 3.36Å; I394-M405 HydrophobicContact CG2-CB 3.86Å; I394-M405 HydrophobicContact CG2-CE 3.69Å; I394-M405 HydrophobicContact CG2-CG 4.44Å; I394-M405 PolarHBondContact N-O 2.91Å; I394-M405 PolarHBondContact O-N 3.03Å; F396-M405 HydrophobicContact CE1-CB 3.82Å; F396-M405 HydrophobicContact CE1-CE 4.18Å; M405-F449 HydrophobicContact CE-CD1 4.15Å; M405-F449 HydrophobicContact SD-CB 3.97Å; M405-F449 HydrophobicContact SD-CD1 4.23Å; M405-R450 CarbonylContact C-O 3.55Å; M405-R450 WeakPolarHBondContact CA-O 3.45Å; M405-R450 WeakPolarHBondContact CG-O 3.5Å; M405-L451 HydrophobicContact CB-CD1 4.4Å |
| 406 | Q | 92.7 | Very high | 76.9 | Confident | 37 Ų | 37 | 49.9 Ų | 49.9 | 17% | 0.173 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 138.6 | 171.2 | -176.2 | -178.3 | 5.3 | 0 | 0 | 110 | N391 A392 F393 F449 R450 L452 | N391-Q406 PolarHBondContact OD1-NE2 2.81Å; A392-Q406 CarbonylContact O-C 3.59Å; F393-Q406 HydrophobicContact CD1-CB 4.07Å; F393-Q406 HydrophobicContact CD1-CG 4.27Å; F393-Q406 HydrophobicContact CE1-CB 3.94Å; F393-Q406 HydrophobicContact CE1-CG 3.8Å; F393-Q406 HydrophobicContact CZ-CG 4.21Å; Q406-F449 WeakPolarHBondContact O-CA 3.27Å; Q406-R450 PolarHBondContact N-O 3.33Å; Q406-R450 PolarHBondContact O-N 3.25Å; Q406-L452 HydrophobicContact CB-CD1 3.82Å; Q406-L452 HydrophobicContact CB-CD2 4.36Å; Q406-L452 HydrophobicContact CB-CG 3.97Å |
| 407 | V | 91.7 | Very high | 73.7 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 120.9 | 172.4 | -174.1 | 0 | 0 | 0 | 0 | 107.5 | L339 L344 W382 N391 A392 G448 F449 | L339-V407 HydrophobicContact CD2-CG1 4.02Å; L344-V407 HydrophobicContact CD1-CG1 4.4Å; W382-V407 HydrophobicContact CH2-CG2 3.83Å; W382-V407 HydrophobicContact CZ3-CB 4.3Å; W382-V407 HydrophobicContact CZ3-CG2 3.7Å; N391-V407 WeakPolarHBondContact CA-O 3.32Å; A392-V407 PolarHBondContact N-O 2.8Å; A392-V407 PolarHBondContact O-N 3.25Å; V407-G448 WeakPolarHBondContact CA-O 3.46Å; V407-F449 HydrophobicContact CB-CD1 4.49Å; V407-F449 HydrophobicContact CB-CE1 4.41Å; V407-F449 HydrophobicContact CG1-CD1 4.25Å; V407-F449 HydrophobicContact CG1-CE1 3.81Å; V407-F449 HydrophobicContact CG1-CZ 4.22Å; V407-F449 HydrophobicContact CG2-CD1 3.69Å; V407-F449 HydrophobicContact CG2-CE1 3.73Å |
| 408 | S | 89.4 | Confident | 70.8 | Confident | 32 Ų | 32 | 60.4 Ų | 60.4 | 22% | 0.224 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 155.9 | -175.3 | 56.1 | 0 | 0 | 0 | 0 | 111.7 | D390 N391 L447 G448 | D390-S408 WeakPolarHBondContact O-CA 3.2Å; N391-S408 VanDerWaalsContact OD1-CB 3.24Å; N391-S408 WeakPolarHBondContact OD1-CB 3.4Å; S408-L447 CarbonylContact O-C 3.54Å; S408-L447 WeakPolarHBondContact O-CA 3.39Å; S408-G448 PolarHBondContact N-O 3.35Å; S408-G448 PolarHBondContact O-N 2.92Å |
| 409 | K | 81.8 | Confident | 67.6 | Low | 84 Ų | 84 | 66 Ų | 66 | 37% | 0.365 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 127.3 | 169.1 | 178.3 | 180 | 176.9 | 178.4 | 0 | 109.6 | I338 D390 S411 | I338-K409 HydrophobicContact CD1-CD 3.59Å; I338-K409 HydrophobicContact CD1-CG 3.96Å; I338-K409 HydrophobicContact CG1-CD 4.31Å; D390-K409 HydrophobicContact CB-CB 4.45Å; D390-K409 PolarHBondContact O-N 3.32Å; K409-S411 PolarHBondContact O-N 2.9Å |
| 410 | I | 74 | Confident | 64.7 | Low | 84 Ų | 84 | 70.4 Ų | 70.4 | 43% | 0.431 | 41% | 0.407 | S | S | . | . | trans | -76.9 | 108.8 | 175.3 | -58.3 | 173.6 | 0 | 0 | 0 | 108.4 | Q446 | I410-Q446 WeakPolarHBondContact CB-O 3.39Å; I410-Q446 HydrophobicContact CD1-CB 4.02Å; I410-Q446 PolarHBondContact N-O 3.11Å; I410-Q446 VanDerWaalsContact N-O 3.1Å | ||
| 411 | S | 59.2 | Low | 61.6 | Low | 52 Ų | 52 | 76.9 Ų | 76.9 | 36% | 0.364 | 44% | 0.438 | S | S | . | . | trans | -83.8 | 143.4 | 169.6 | 55.5 | 0 | 0 | 0 | 0 | 110.2 | K409 S413 | K409-S411 PolarHBondContact O-N 2.9Å; S411-S413 PolarHBondContact O-N 2.85Å; S411-S413 PolarHBondContact OG-OG 2.87Å | ||
| 412 | Q | 50.4 | Low | 58.4 | Low | 142 Ų | 142 | 85 Ų | 85 | 66% | 0.664 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -2.5 | -178.3 | -71.9 | -178.7 | 1.5 | 0 | 0 | 114 | ||
| 413 | S | 49.1 | Very low | 55.3 | Low | 82 Ų | 82 | 93.2 Ų | 93.2 | 57% | 0.573 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -14.6 | -178.1 | 54 | 0 | 0 | 0 | 0 | 115.2 | S411 N415 | S411-S413 PolarHBondContact O-N 2.85Å; S411-S413 PolarHBondContact OG-OG 2.87Å; S413-N415 PolarHBondContact O-N 3.42Å |
| 414 | D | 41.9 | Very low | 52.1 | Low | 112 Ų | 112 | 96.9 Ų | 96.9 | 60% | 0.599 | 54% | 0.535 | S | S | * | . | trans | -93 | 17.6 | -165.5 | -73.8 | 7.1 | 0 | 0 | 0 | 115.1 | T416 | D414-T416 PolarHBondContact O-N 2.84Š| ||
| 415 | N | 37.9 | Very low | 48.9 | Very low | 162 Ų | 162 | 104.5 Ų | 104.5 | 87% | 0.866 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 6.9 | 174.1 | -89.9 | -16.1 | 0 | 0 | 0 | 114.2 | S413 | S413-N415 PolarHBondContact O-N 3.42Š|
| 416 | T | 31.5 | Very low | 45.7 | Very low | 123 Ų | 123 | 109 Ų | 109 | 76% | 0.755 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.4 | 46.8 | -176.7 | 57.1 | 0 | 0 | 0 | 0 | 114.5 | D414 | D414-T416 PolarHBondContact O-N 2.84Š|
| 417 | S | 26.5 | Very low | 42.5 | Very low | 102 Ų | 102 | 112.8 Ų | 112.8 | 71% | 0.713 | 64% | 0.635 | S | S | * | * | trans | 173.6 | 86.8 | 152.5 | 50.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 418 | V | 30.1 | Very low | 39.4 | Very low | 118 Ų | 118 | 119.6 Ų | 119.6 | 72% | 0.715 | 67% | 0.665 | S | S | * | * | trans | -122.4 | 84 | 155.5 | -175.4 | 0 | 0 | 0 | 0 | 107 | S420 | V418-S420 PolarHBondContact O-N 3.02Š| ||
| 419 | T | 25.4 | Very low | 36.4 | Very low | 133 Ų | 133 | 123.3 Ų | 123.3 | 82% | 0.816 | 69% | 0.689 | S | S | * | * | trans | -60.2 | 104 | 157.9 | 27.1 | 0 | 0 | 0 | 0 | 107.2 | L421 | T419-L421 PolarHBondContact O-N 3.16Š| ||
| 420 | S | 26.2 | Very low | 33.7 | Very low | 92 Ų | 92 | 126.8 Ų | 126.8 | 64% | 0.643 | 71% | 0.711 | S | S | * | * | trans | -55.3 | 100 | 169.4 | 50.2 | 0 | 0 | 0 | 0 | 110 | V418 R422 | V418-S420 PolarHBondContact O-N 3.02Å; S420-R422 PolarHBondContact O-N 3.48Å | ||
| 421 | L | 24.3 | Very low | 31.4 | Very low | 170 Ų | 170 | 127.7 Ų | 127.7 | 89% | 0.89 | 73% | 0.725 | S | S | * | * | trans | -67.9 | 91 | 155.5 | -80.2 | 167 | 0 | 0 | 0 | 107.2 | T419 L423 | T419-L421 PolarHBondContact O-N 3.16Å; L421-L423 PolarHBondContact O-N 2.67Å; L421-L423 VanDerWaalsContact O-N 3.09Å | ||
| 422 | R | 23.4 | Very low | 29.8 | Very low | 220 Ų | 220 | 130 Ų | 130 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | trans | -65.7 | 99.1 | 165.8 | -78.3 | -178.4 | 176.2 | 174.2 | -1.3 | 108.1 | S420 T424 | S420-R422 PolarHBondContact O-N 3.48Å; R422-T424 PolarHBondContact O-N 3.12Å | ||
| 423 | L | 26.4 | Very low | 28.6 | Very low | 172 Ų | 172 | 129 Ų | 129 | 90% | 0.901 | 75% | 0.745 | S | S | * | * | trans | -79.8 | 106.5 | 154.5 | -81.5 | 160.3 | 0 | 0 | 0 | 107.3 | L421 | L421-L423 PolarHBondContact O-N 2.67Å; L421-L423 VanDerWaalsContact O-N 3.09Å | ||
| 424 | T | 24.7 | Very low | 27.5 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 69% | 0.693 | 76% | 0.758 | S | S | * | * | trans | -72.3 | 142.5 | 177.2 | 47.3 | 0 | 0 | 0 | 0 | 111.1 | R422 | R422-T424 PolarHBondContact O-N 3.12Š| ||
| 425 | N | 25.9 | Very low | 26.7 | Very low | 162 Ų | 162 | 135 Ų | 135 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | trans | 98.3 | 76 | 171.3 | -55.4 | -16.2 | 0 | 0 | 0 | 116.4 | ||||
| 426 | S | 26.5 | Very low | 26.1 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | -137 | 139.9 | 144.9 | 94.2 | 0 | 0 | 0 | 0 | 110 | F428 | S426-F428 PolarHBondContact O-N 3.42Š| ||
| 427 | P | 25.4 | Very low | 25.9 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | -93.9 | 79 | -177.6 | 36.2 | -30.1 | 0 | 0 | 0 | 110.3 | ||||
| 428 | F | 27.7 | Very low | 25.9 | Very low | 143 Ų | 143 | 141 Ų | 141 | 63% | 0.627 | 78% | 0.777 | S | S | * | * | trans | -145.4 | 136.7 | 162.4 | -76.5 | -73.5 | 0 | 0 | 0 | 110.2 | S426 | S426-F428 PolarHBondContact O-N 3.42Š| ||
| 429 | P | 26.5 | Very low | 25.7 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | trans | -71.3 | 133.4 | -175.4 | 29.1 | -31.8 | 0 | 0 | 0 | 110.5 | S431 | P429-S431 PolarHBondContact O-N 2.96Š| ||
| 430 | D | 24.8 | Very low | 26 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -46.9 | 107.5 | 172.7 | -72.3 | -43.1 | 0 | 0 | 0 | 111.2 | ||||
| 431 | S | 25.3 | Very low | 26.5 | Very low | 104 Ų | 104 | 146.4 Ų | 146.4 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -104.8 | 67.9 | 160.1 | -64.9 | 0 | 0 | 0 | 0 | 108.3 | P429 T433 | P429-S431 PolarHBondContact O-N 2.96Å; S431-T433 PolarHBondContact O-N 3.21Å | ||
| 432 | S | 26 | Very low | 27.1 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -74.4 | 70.9 | 160.6 | 48.5 | 0 | 0 | 0 | 0 | 109 | L434 | S432-L434 PolarHBondContact O-N 3.25Š| ||
| 433 | T | 26 | Very low | 28.4 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | -72.2 | 81.9 | 161.3 | 35.7 | 0 | 0 | 0 | 0 | 108.9 | S431 L435 | S431-T433 PolarHBondContact O-N 3.21Å; T433-L435 PolarHBondContact O-N 2.87Å | ||
| 434 | L | 24.7 | Very low | 29.6 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | trans | -64.5 | 83.1 | 153.1 | -76.2 | 171.3 | 0 | 0 | 0 | 107.7 | S432 R436 | S432-L434 PolarHBondContact O-N 3.25Å; L434-R436 VanDerWaalsContact C-N 3.28Å; L434-R436 PolarHBondContact O-N 2.74Å | ||
| 435 | L | 25.5 | Very low | 31.4 | Very low | 158 Ų | 158 | 137 Ų | 137 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | trans | -65.7 | 97.8 | 159.4 | -95.7 | 158.4 | 0 | 0 | 0 | 107 | T433 A437 | T433-L435 PolarHBondContact O-N 2.87Å; L435-A437 PolarHBondContact O-N 2.76Å | ||
| 436 | R | 25 | Very low | 33.6 | Very low | 243 Ų | 243 | 135.1 Ų | 135.1 | 92% | 0.917 | 74% | 0.744 | S | S | * | * | trans | -60.2 | 83.2 | 167.9 | -154.1 | -179.9 | -148.7 | 166.9 | 5.4 | 108 | L434 | L434-R436 VanDerWaalsContact C-N 3.28Å; L434-R436 PolarHBondContact O-N 2.74Å | ||
| 437 | A | 26.9 | Very low | 36.5 | Very low | 92 Ų | 92 | 131.5 Ų | 131.5 | 76% | 0.76 | 72% | 0.717 | S | S | * | * | trans | -72 | 130.7 | 170 | 0 | 0 | 0 | 0 | 0 | 108.6 | L435 | L435-A437 PolarHBondContact O-N 2.76Š| ||
| 438 | H | 27.4 | Very low | 39.4 | Very low | 178 Ų | 178 | 126.7 Ų | 126.7 | 82% | 0.824 | 69% | 0.688 | S | S | * | * | trans | -49.9 | 139.4 | -174.3 | -79.5 | -91.2 | 0 | 0 | 0 | 113.9 | S440 | H438-S440 PolarHBondContact O-N 2.83Å; H438-S440 VanDerWaalsContact O-N 3.14Å | ||
| 439 | T | 25.7 | Very low | 42.5 | Very low | 146 Ų | 146 | 122 Ų | 122 | 90% | 0.896 | 67% | 0.668 | S | S | * | * | trans | -48.5 | 107.9 | 168.7 | 40.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 440 | S | 31.9 | Very low | 45.5 | Very low | 100 Ų | 100 | 124 Ų | 124 | 70% | 0.699 | 66% | 0.661 | S | S | * | * | trans | -125.5 | 132.8 | 156.1 | 81.2 | 0 | 0 | 0 | 0 | 108.8 | H438 N442 | H438-S440 PolarHBondContact O-N 2.83Å; H438-S440 VanDerWaalsContact O-N 3.14Å; S440-N442 PolarHBondContact O-N 2.76Å | ||
| 441 | K | 36.1 | Very low | 48.6 | Very low | 211 Ų | 211 | 120.5 Ų | 120.5 | 92% | 0.917 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -70.8 | 42.6 | -167.7 | -76.9 | -178.2 | 167.5 | -178.1 | 0 | 115.2 | ||
| 442 | N | 38.1 | Very low | 51.6 | Low | 149 Ų | 149 | 117.8 Ų | 117.8 | 80% | 0.797 | 62% | 0.619 | S | S | * | * | trans | -130.2 | 75.4 | 173.2 | -80.3 | -7.4 | 0 | 0 | 0 | 110.2 | S440 | S440-N442 PolarHBondContact O-N 2.76Š| ||
| 443 | S | 49.8 | Very low | 54.4 | Low | 74 Ų | 74 | 117.2 Ų | 117.2 | 52% | 0.517 | 60% | 0.602 | S | S | . | * | trans | -103 | 13.4 | -172.8 | 55.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 444 | E | 51.9 | Low | 57.4 | Low | 148 Ų | 148 | 115 Ų | 115 | 69% | 0.692 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -84.3 | -8.2 | -173.4 | -72.4 | -171 | 160.1 | 0 | 0 | 115.6 | ||
| 445 | N | 61.6 | Low | 60.3 | Low | 106 Ų | 106 | 109 Ų | 109 | 57% | 0.567 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -135.7 | 44.9 | -173.3 | -69.7 | -33.1 | 0 | 0 | 0 | 113.6 | I338 | I338-N445 HydrophobicContact CD1-CB 4.33Å; I338-N445 WeakPolarHBondContact CD1-OD1 3.5Å |
| 446 | Q | 72.9 | Confident | 63.2 | Low | 122 Ų | 122 | 106.2 Ų | 106.2 | 57% | 0.57 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 139.8 | 174 | -71.7 | -172 | -4 | 0 | 0 | 111.8 | I410 | I410-Q446 WeakPolarHBondContact CB-O 3.39Å; I410-Q446 HydrophobicContact CD1-CB 4.02Å; I410-Q446 PolarHBondContact N-O 3.11Å; I410-Q446 VanDerWaalsContact N-O 3.1Å |
| 447 | L | 86.5 | Confident | 65.9 | Low | 21 Ų | 21 | 96.4 Ų | 96.4 | 11% | 0.11 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 133.2 | 175.9 | -65.9 | 169.5 | 0 | 0 | 0 | 109.8 | I338 L339 L344 S408 F449 | I338-L447 HydrophobicContact CG2-CD2 4.19Å; L339-L447 HydrophobicContact CD2-CD2 3.64Å; L344-L447 HydrophobicContact CD1-CD1 3.85Å; L344-L447 HydrophobicContact CD2-CD1 3.8Å; L344-L447 HydrophobicContact CG-CD1 4.26Å; S408-L447 CarbonylContact O-C 3.54Å; S408-L447 WeakPolarHBondContact O-CA 3.39Å; L447-F449 HydrophobicContact CB-CE2 3.92Å; L447-F449 HydrophobicContact CB-CZ 4.14Å |
| 448 | G | 87.5 | Confident | 68.4 | Low | 15 Ų | 15 | 101.5 Ų | 101.5 | 16% | 0.155 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 135.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | V407 S408 | V407-G448 WeakPolarHBondContact CA-O 3.46Å; S408-G448 PolarHBondContact N-O 3.35Å; S408-G448 PolarHBondContact O-N 2.92Å |
| 449 | F | 91.7 | Very high | 71 | Confident | 45 Ų | 45 | 97.1 Ų | 97.1 | 20% | 0.197 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 121.5 | 179.4 | -62.7 | -91.5 | 0 | 0 | 0 | 109 | I355 H366 M405 Q406 V407 L447 | I355-F449 HydrophobicContact CB-CE1 4.27Å; I355-F449 HydrophobicContact CD1-CD1 3.92Å; I355-F449 HydrophobicContact CD1-CE1 3.61Å; I355-F449 HydrophobicContact CG2-CE1 4.01Å; I355-F449 HydrophobicContact CG2-CZ 4.26Å; H366-F449 HydrophobicContact CB-CB 4.49Å; H366-F449 HydrophobicContact CB-CD1 3.7Å; H366-F449 HydrophobicContact CB-CD2 3.71Å; H366-F449 HydrophobicContact CB-CE1 3.76Å; H366-F449 HydrophobicContact CB-CE2 3.76Å; H366-F449 HydrophobicContact CB-CG 3.69Å; H366-F449 HydrophobicContact CB-CZ 3.78Å; H366-F449 AromaticContact CG-CD1 3.93Å; H366-F449 AromaticContact CG-CG 3.76Å; H366-F449 AromaticContact ND1-CG 3.83Å; M405-F449 HydrophobicContact CE-CD1 4.15Å; M405-F449 HydrophobicContact SD-CB 3.97Å; M405-F449 HydrophobicContact SD-CD1 4.23Å; Q406-F449 WeakPolarHBondContact O-CA 3.27Å; V407-F449 HydrophobicContact CB-CD1 4.49Å; V407-F449 HydrophobicContact CB-CE1 4.41Å; V407-F449 HydrophobicContact CG1-CD1 4.25Å; V407-F449 HydrophobicContact CG1-CE1 3.81Å; V407-F449 HydrophobicContact CG1-CZ 4.22Å; V407-F449 HydrophobicContact CG2-CD1 3.69Å; V407-F449 HydrophobicContact CG2-CE1 3.73Å; L447-F449 HydrophobicContact CB-CE2 3.92Å; L447-F449 HydrophobicContact CB-CZ 4.14Å |
| 450 | R | 90.9 | Very high | 73.9 | Confident | 153 Ų | 153 | 91.8 Ų | 91.8 | 58% | 0.577 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 114.1 | -178.8 | -176.8 | -178.8 | 177.9 | 174.2 | -0.8 | 110.3 | M405 Q406 L452 | M405-R450 CarbonylContact C-O 3.55Å; M405-R450 WeakPolarHBondContact CA-O 3.45Å; M405-R450 WeakPolarHBondContact CG-O 3.5Å; Q406-R450 PolarHBondContact N-O 3.33Å; Q406-R450 PolarHBondContact O-N 3.25Å; R450-L452 HydrophobicContact CG-CD2 4.07Å; R450-L452 PolarHBondContact O-N 3.22Å |
| 451 | L | 89.5 | Confident | 76.7 | Confident | 82 Ų | 82 | 87 Ų | 87 | 43% | 0.429 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 121.9 | 168.5 | -173.3 | 70.2 | 0 | 0 | 0 | 108.8 | F396 Y403 M405 | F396-L451 HydrophobicContact CZ-CD1 4.18Å; Y403-L451 HydrophobicContact CD1-CD1 4.09Å; Y403-L451 HydrophobicContact CD1-CD2 4.34Å; Y403-L451 HydrophobicContact CG-CD1 4.44Å; M405-L451 HydrophobicContact CB-CD1 4.4Å |
| 452 | L | 87.8 | Confident | 79.2 | Confident | 47 Ų | 47 | 77.3 Ų | 77.3 | 25% | 0.246 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -53.3 | -178.4 | -65.3 | -176.6 | 0 | 0 | 0 | 111.4 | F393 I404 Q406 R450 | F393-L452 HydrophobicContact CD1-CD1 4.05Å; F393-L452 HydrophobicContact CE1-CD1 3.74Å; I404-L452 PolarHBondContact O-N 3.33Å; Q406-L452 HydrophobicContact CB-CD1 3.82Å; Q406-L452 HydrophobicContact CB-CD2 4.36Å; Q406-L452 HydrophobicContact CB-CG 3.97Å; R450-L452 HydrophobicContact CG-CD2 4.07Å; R450-L452 PolarHBondContact O-N 3.22Å |
| 453 | Y | 84.8 | Confident | 81.7 | Confident | 89 Ų | 89 | 70.4 Ų | 70.4 | 35% | 0.349 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 153.6 | -171.4 | -48.7 | -65.2 | 0 | 0 | 0 | 111.6 | Y403 I404 F455 I487 | Y403-Y453 WeakPolarHBondContact CA-O 3.39Å; I404-Y453 HydrophobicContact CB-CD2 4.35Å; I404-Y453 HydrophobicContact CD1-CD2 4.43Å; I404-Y453 HydrophobicContact CG2-CD2 4.44Å; I404-Y453 PolarHBondContact N-O 3.04Å; I404-Y453 PolarHBondContact O-N 3.03Å; Y453-F455 VanDerWaalsContact CB-CZ 3.43Å; Y453-F455 AromaticContact CG-CZ 3.97Å; Y453-F455 HydrophobicContact CG-CZ 3.97Å; Y453-I487 HydrophobicContact CE1-CG2 4.48Å; Y453-I487 HydrophobicContact CE2-CG2 4.39Å |
| 454 | S | 88.2 | Confident | 83.7 | Confident | 74 Ų | 74 | 66.9 Ų | 66.9 | 52% | 0.517 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 131.2 | 167.3 | 64.6 | 0 | 0 | 0 | 0 | 109.9 | V402 | V402-S454 CarbonylContact O-C 3.57Å; V402-S454 VanDerWaalsContact O-CA 3.28Å; V402-S454 WeakPolarHBondContact O-CA 3.24Å |
| 455 | F | 86.8 | Confident | 85.5 | Confident | 37 Ų | 37 | 60.8 Ų | 60.8 | 16% | 0.162 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 143.9 | 179.9 | -44.7 | -71.2 | 0 | 0 | 0 | 109.9 | I401 V402 I404 Y453 F457 S486 I487 T488 | I401-F455 WeakPolarHBondContact CA-O 3.5Å; V402-F455 PolarHBondContact N-O 2.85Å; V402-F455 PolarHBondContact O-N 3.33Å; I404-F455 HydrophobicContact CD1-CE2 3.88Å; Y453-F455 VanDerWaalsContact CB-CZ 3.43Å; Y453-F455 AromaticContact CG-CZ 3.97Å; Y453-F455 HydrophobicContact CG-CZ 3.97Å; F455-F457 HydrophobicContact CB-CZ 4.39Å; F455-S486 WeakPolarHBondContact CE2-O 3.39Å; F455-S486 WeakPolarHBondContact CZ-O 3.44Å; F455-I487 WeakPolarHBondContact CZ-O 3.4Å; F455-T488 VanDerWaalsContact CE1-C 3.44Å; F455-T488 WeakPolarHBondContact CE1-O 3.41Å |
| 456 | S | 87 | Confident | 86.8 | Confident | 98 Ų | 98 | 56.2 Ų | 56.2 | 69% | 0.685 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 133.5 | 174 | 59 | 0 | 0 | 0 | 0 | 110.6 | S400 | S400-S456 CarbonylContact O-C 3.59Å; S400-S456 VanDerWaalsContact O-CA 3.3Å; S400-S456 WeakPolarHBondContact O-CA 3.4Å |
| 457 | F | 81.3 | Confident | 87.3 | Confident | 37 Ų | 37 | 50.8 Ų | 50.8 | 16% | 0.162 | 25% | 0.254 | C | S | . | . | trans | -100.6 | 156.9 | 178.4 | -59.7 | -79.5 | 0 | 0 | 0 | 111 | S400 V402 F455 Q459 F461 V474 L484 | S400-F457 WeakPolarHBondContact CB-O 3.22Å; S400-F457 WeakPolarHBondContact O-CD2 3.32Å; S400-F457 PolarHBondContact O-N 3.3Å; V402-F457 HydrophobicContact CB-CE2 3.9Å; V402-F457 HydrophobicContact CG2-CD2 4.28Å; V402-F457 HydrophobicContact CG2-CE2 3.52Å; V402-F457 HydrophobicContact CG2-CZ 4.4Å; F455-F457 HydrophobicContact CB-CZ 4.39Å; F457-Q459 WeakPolarHBondContact CB-O 3.38Å; F457-F461 HydrophobicContact CD2-CD1 4.23Å; F457-F461 HydrophobicContact CD2-CE1 4.42Å; F457-V474 HydrophobicContact CZ-CG2 4.43Å; F457-L484 HydrophobicContact CE1-CD1 3.34Å; F457-L484 HydrophobicContact CE1-CD2 4.09Å; F457-L484 HydrophobicContact CE1-CG 4.37Å; F457-L484 HydrophobicContact CZ-CD1 3.31Å | ||
| 458 | E | 80 | Confident | 87 | Confident | 200 Ų | 200 | 50.8 Ų | 50.8 | 94% | 0.935 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -72.6 | -38.2 | 174.9 | -65 | -174.6 | 165.7 | 0 | 0 | 111.9 | ||
| 459 | Q | 80.8 | Confident | 86.6 | Confident | 85 Ų | 85 | 54.2 Ų | 54.2 | 40% | 0.397 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -107.5 | 151.6 | 178.8 | -60.2 | -177.9 | 11.3 | 0 | 0 | 110.3 | F457 N476 | F457-Q459 WeakPolarHBondContact CB-O 3.38Å; Q459-N476 PolarHBondContact OE1-ND2 3.38Å |
| 460 | N | 87.3 | Confident | 86.1 | Confident | 34 Ų | 34 | 53.3 Ų | 53.3 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | trans | -76.6 | 153.4 | 174.9 | -49.4 | -75.7 | 0 | 0 | 0 | 110.8 | F376 G399 S400 N476 E477 | F376-N460 HydrophobicContact CD1-CB 4.04Å; F376-N460 HydrophobicContact CD2-CB 4.31Å; F376-N460 HydrophobicContact CE1-CB 3.77Å; F376-N460 HydrophobicContact CE2-CB 4.03Å; F376-N460 WeakPolarHBondContact CE2-ND2 3.36Å; F376-N460 HydrophobicContact CG-CB 4.31Å; F376-N460 HydrophobicContact CZ-CB 3.77Å; G399-N460 VanDerWaalsContact CA-OD1 3.28Å; G399-N460 WeakPolarHBondContact CA-OD1 3.43Å; G399-N460 CarbonylContact O-C 3.55Å; G399-N460 VanDerWaalsContact O-CA 3.22Å; G399-N460 WeakPolarHBondContact O-CA 3.47Å; G399-N460 WeakPolarHBondContact O-CB 3.42Å; S400-N460 PolarHBondContact N-OD1 2.85Å; S400-N460 VanDerWaalsContact N-OD1 3.15Å; N460-N476 WeakPolarHBondContact O-CA 3.37Å; N460-E477 HydrophobicContact CB-CG 4.28Å; N460-E477 WeakPolarHBondContact CB-OE1 3.31Å; N460-E477 VanDerWaalsContact CG-OE1 3.32Å; N460-E477 PolarHBondContact N-OE1 3.24Å; N460-E477 PolarHBondContact ND2-OE1 2.9Å; N460-E477 PolarHBondContact O-N 3.13Å; N460-E477 VanDerWaalsContact O-N 3.09Å | ||
| 461 | F | 89.9 | Confident | 85.9 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 142.2 | 177.6 | 57.4 | -96.1 | 0 | 0 | 0 | 113.3 | F379 G399 I401 V402 F457 V474 V475 | F379-F461 HydrophobicContact CB-CE2 4.28Å; F379-F461 AromaticContact CD2-CD2 3.85Å; F379-F461 HydrophobicContact CD2-CD2 3.85Å; F379-F461 AromaticContact CD2-CE2 3.77Å; F379-F461 HydrophobicContact CD2-CE2 3.77Å; F379-F461 HydrophobicContact CE2-CD2 4.48Å; F379-F461 HydrophobicContact CG-CE2 4.44Å; G399-F461 WeakPolarHBondContact O-CD1 3.5Å; G399-F461 WeakPolarHBondContact O-CE1 3.31Å; G399-F461 WeakPolarHBondContact O-CG 3.47Å; G399-F461 PolarHBondContact O-N 3.48Å; I401-F461 WeakPolarHBondContact O-CZ 3.44Å; V402-F461 HydrophobicContact CG2-CD1 4.12Å; V402-F461 HydrophobicContact CG2-CE1 3.43Å; V402-F461 VanDerWaalsContact CG2-CE1 3.43Å; V402-F461 HydrophobicContact CG2-CE2 4.46Å; V402-F461 HydrophobicContact CG2-CZ 3.63Å; F457-F461 HydrophobicContact CD2-CD1 4.23Å; F457-F461 HydrophobicContact CD2-CE1 4.42Å; F461-V474 HydrophobicContact CB-CG1 3.29Å; F461-V474 HydrophobicContact CD1-CG1 4.26Å; F461-V474 HydrophobicContact CG-CG1 3.94Å; F461-V475 CarbonylContact C-O 3.56Å; F461-V475 VanDerWaalsContact CA-O 3.3Å; F461-V475 WeakPolarHBondContact CA-O 3.08Å; F461-V475 WeakPolarHBondContact CB-O 3.46Å |
| 462 | L | 88.3 | Confident | 85.9 | Confident | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -18.7 | 173.7 | -63.4 | -179.1 | 0 | 0 | 0 | 112.9 | F376 F379 V475 N476 E477 F504 R524 C526 | F376-L462 HydrophobicContact CE1-CD2 4.39Å; F379-L462 WeakPolarHBondContact CE1-O 3.41Å; F379-L462 WeakPolarHBondContact CE2-O 3.39Å; F379-L462 VanDerWaalsContact CZ-C 3.47Å; F379-L462 WeakPolarHBondContact CZ-O 3.31Å; L462-V475 PolarHBondContact N-O 2.87Å; L462-N476 VanDerWaalsContact CD1-O 3.29Å; L462-N476 WeakPolarHBondContact CD1-O 3.25Å; L462-N476 WeakPolarHBondContact CG-O 3.47Å; L462-E477 HydrophobicContact CD2-CG 4.42Å; L462-F504 HydrophobicContact CD1-CE1 4.29Å; L462-F504 HydrophobicContact CD1-CZ 4.47Å; L462-R524 HydrophobicContact CD2-CB 4.01Å; L462-C526 PolarHBondContact O-SG 2.86Å; L462-C526 VanDerWaalsContact O-SG 3.36Å |
| 463 | N | 90.8 | Very high | 86.1 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 157.4 | 175.6 | -145.6 | -51.2 | 0 | 0 | 0 | 111.9 | V475 C526 I530 | N463-V475 HydrophobicContact CB-CB 4.27Å; N463-V475 PolarHBondContact N-O 2.95Å; N463-V475 PolarHBondContact O-N 3.35Å; N463-C526 PolarHBondContact ND2-SG 3.23Å; N463-I530 HydrophobicContact CB-CD1 3.92Å |
| 464 | L | 91.7 | Very high | 86.4 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 120 | -177.4 | 176.7 | 68.2 | 0 | 0 | 0 | 109.5 | F379 A395 V402 L472 I473 V474 | F379-L464 HydrophobicContact CB-CB 3.87Å; A395-L464 HydrophobicContact CB-CD2 3.94Å; A395-L464 HydrophobicContact CB-CG 4.45Å; V402-L464 HydrophobicContact CG1-CD1 4.33Å; V402-L464 HydrophobicContact CG1-CD2 4.15Å; V402-L464 HydrophobicContact CG2-CD1 4.2Å; V402-L464 HydrophobicContact CG2-CD2 4.31Å; L464-L472 HydrophobicContact CD1-CD1 3.91Å; L464-L472 HydrophobicContact CD1-CD2 3.51Å; L464-L472 HydrophobicContact CD1-CG 3.64Å; L464-I473 WeakPolarHBondContact CA-O 3.31Å; L464-V474 HydrophobicContact CD1-CG2 3.71Å |
| 465 | K | 90.9 | Very high | 86.6 | Confident | 20 Ų | 20 | 33.5 Ų | 33.5 | 9% | 0.087 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 139.9 | 177.3 | -67.8 | -65.3 | 179.9 | 178.9 | 0 | 111.6 | E309 N381 I473 I530 A532 L537 | E309-K465 IonicContact OE1-NZ 3.76Å; E309-K465 PolarHBondContact OE1-NZ 2.79Å; N381-K465 WeakPolarHBondContact ND2-CD 3.27Å; K465-I473 PolarHBondContact N-O 3.23Å; K465-I473 PolarHBondContact O-N 3.24Å; K465-I530 HydrophobicContact CG-CG2 4.34Å; K465-A532 HydrophobicContact CB-CB 4.15Å; K465-A532 HydrophobicContact CD-CB 4.38Å; K465-A532 HydrophobicContact CG-CB 4.34Å; K465-L537 HydrophobicContact CB-CD1 4.27Å; K465-L537 HydrophobicContact CG-CD1 4.26Å |
| 466 | W | 87.9 | Confident | 86.8 | Confident | 9 Ų | 9 | 31.8 Ų | 31.8 | 3% | 0.034 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 138.6 | 165.1 | -76.4 | 102.4 | 0 | 0 | 0 | 110.2 | N381 Y383 F393 A395 I404 S468 F469 L472 | N381-W466 PolarHBondContact O-NE1 3.44Å; N381-W466 WeakPolarHBondContact OD1-CB 3.24Å; N381-W466 VanDerWaalsContact OD1-CD1 3.32Å; N381-W466 PolarHBondContact OD1-N 2.77Å; Y383-W466 HydrophobicContact CD2-CB 4.09Å; Y383-W466 HydrophobicContact CD2-CD2 4.38Å; Y383-W466 HydrophobicContact CD2-CE3 4.34Å; Y383-W466 HydrophobicContact CD2-CG 4.33Å; Y383-W466 HydrophobicContact CG-CD2 4.34Å; Y383-W466 HydrophobicContact CG-CE3 4.46Å; Y383-W466 HydrophobicContact CG-CG 4.47Å; F393-W466 HydrophobicContact CB-CZ2 4.35Å; A395-W466 HydrophobicContact CB-CZ2 4.24Å; A395-W466 VanDerWaalsContact CB-NE1 3.27Å; I404-W466 HydrophobicContact CD1-CH2 4.24Å; I404-W466 HydrophobicContact CD1-CZ2 4.22Å; I404-W466 HydrophobicContact CG1-CZ2 4.5Å; I404-W466 HydrophobicContact CG2-CZ2 4.29Å; W466-S468 WeakPolarHBondContact CZ3-O 3.49Å; W466-F469 WeakPolarHBondContact CZ3-O 3.37Å; W466-L472 HydrophobicContact CD2-CD1 3.6Å; W466-L472 HydrophobicContact CE3-CD1 3.95Å; W466-L472 HydrophobicContact CG-CD1 3.9Å; W466-L472 HydrophobicContact CZ2-CD1 4.3Å; W466-L472 HydrophobicContact CZ3-CD1 4.46Å |
| 467 | I | 83.6 | Confident | 86.7 | Confident | 9 Ų | 9 | 30 Ų | 30 | 5% | 0.046 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | -30.4 | 172.4 | -166.9 | 162.6 | 0 | 0 | 0 | 112 | Q471 I473 L483 G534 S535 L550 | I467-Q471 HydrophobicContact CG2-CB 3.74Å; I467-Q471 WeakPolarHBondContact CG2-O 3.28Å; I467-Q471 PolarHBondContact N-O 3.24Å; I467-I473 HydrophobicContact CB-CD1 3.92Å; I467-I473 HydrophobicContact CB-CG1 4.24Å; I467-I473 HydrophobicContact CD1-CD1 3.4Å; I467-I473 HydrophobicContact CD1-CG1 4.49Å; I467-I473 HydrophobicContact CG1-CD1 4.24Å; I467-I473 HydrophobicContact CG2-CD1 3.99Å; I467-I473 HydrophobicContact CG2-CG1 3.91Å; I467-L483 HydrophobicContact CG2-CD1 3.96Å; I467-G534 VanDerWaalsContact O-O 3.06Å; I467-S535 WeakPolarHBondContact CD1-O 3.27Å; I467-S535 WeakPolarHBondContact O-CA 3.35Å; I467-L550 HydrophobicContact CB-CD1 4.31Å; I467-L550 HydrophobicContact CD1-CD1 4.06Å; I467-L550 HydrophobicContact CD1-CD2 4.31Å; I467-L550 HydrophobicContact CD1-CG 3.7Å; I467-L550 HydrophobicContact CG1-CD1 3.71Å; I467-L550 HydrophobicContact CG1-CG 3.94Å; I467-L550 HydrophobicContact CG2-CD1 3.83Å; I467-L550 HydrophobicContact CG2-CD2 4.44Å; I467-L550 HydrophobicContact CG2-CG 4.34Å |
| 468 | S | 81.1 | Confident | 87 | Confident | 21 Ų | 21 | 31.7 Ų | 31.7 | 15% | 0.147 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 168.6 | 169.2 | 80 | 0 | 0 | 0 | 0 | 109.7 | W466 N470 Q471 | W466-S468 WeakPolarHBondContact CZ3-O 3.49Å; S468-N470 PolarHBondContact O-N 3.12Å; S468-N470 VanDerWaalsContact O-N 3.09Å; S468-Q471 PolarHBondContact N-O 3.28Å; S468-Q471 PolarHBondContact O-N 2.92Å; S468-Q471 VanDerWaalsContact OG-CB 3.29Å; S468-Q471 WeakPolarHBondContact OG-CB 3.27Å; S468-Q471 PolarHBondContact OG-N 3.03Å; S468-Q471 PolarHBondContact OG-OE1 3.29Å |
| 469 | F | 79.4 | Confident | 87.4 | Confident | 86 Ų | 86 | 23.2 Ų | 23.2 | 38% | 0.377 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -33.9 | -178.8 | 178.6 | -117.7 | 0 | 0 | 0 | 113.7 | Y383 F393 W466 S486 | Y383-F469 HydrophobicContact CD1-CB 4.44Å; Y383-F469 AromaticContact CD1-CD2 3.75Å; Y383-F469 HydrophobicContact CD1-CD2 3.75Å; Y383-F469 HydrophobicContact CE1-CB 3.6Å; Y383-F469 AromaticContact CE1-CD2 3.48Å; Y383-F469 HydrophobicContact CE1-CD2 3.48Å; Y383-F469 VanDerWaalsContact CE1-CD2 3.48Å; Y383-F469 AromaticContact CE1-CG 3.96Å; Y383-F469 HydrophobicContact CE1-CG 3.96Å; Y383-F469 HydrophobicContact CE2-CB 4.32Å; Y383-F469 VanDerWaalsContact CZ-CA 3.48Å; Y383-F469 WeakPolarHBondContact OH-CB 3.34Å; Y383-F469 PolarHBondContact OH-N 3.2Å; F393-F469 HydrophobicContact CD2-CD2 4.35Å; F393-F469 AromaticContact CD2-CE2 3.77Å; F393-F469 HydrophobicContact CD2-CE2 3.77Å; F393-F469 HydrophobicContact CE1-CE2 4.28Å; F393-F469 HydrophobicContact CE2-CD2 4.29Å; F393-F469 AromaticContact CE2-CE2 3.4Å; F393-F469 HydrophobicContact CE2-CE2 3.4Å; F393-F469 VanDerWaalsContact CE2-CE2 3.4Å; F393-F469 HydrophobicContact CE2-CZ 4.19Å; F393-F469 HydrophobicContact CG-CE2 4.39Å; F393-F469 AromaticContact CZ-CE2 3.67Å; F393-F469 HydrophobicContact CZ-CE2 3.67Å; F393-F469 HydrophobicContact CZ-CZ 4.06Å; W466-F469 WeakPolarHBondContact CZ3-O 3.37Å; F469-S486 PolarHBondContact O-OG 3.45Å |
| 470 | N | 80.4 | Confident | 87.9 | Confident | 27 Ų | 27 | 22.1 Ų | 22.1 | 14% | 0.144 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -1.7 | -177.7 | -71.4 | -13.3 | 0 | 0 | 0 | 113.1 | S468 N485 S486 | S468-N470 PolarHBondContact O-N 3.12Å; S468-N470 VanDerWaalsContact O-N 3.09Å; N470-N485 WeakPolarHBondContact O-CA 3.16Å; N470-S486 VanDerWaalsContact C-OG 3.27Å; N470-S486 VanDerWaalsContact CA-OG 3.26Å; N470-S486 WeakPolarHBondContact CA-OG 3.46Å; N470-S486 PolarHBondContact O-N 3.3Å; N470-S486 PolarHBondContact O-OG 3.35Å |
| 471 | Q | 86.8 | Confident | 88.1 | Confident | 15 Ų | 15 | 20.5 Ų | 20.5 | 7% | 0.07 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 131.8 | -172.3 | -65.5 | 161.7 | -32.7 | 0 | 0 | 112.8 | I467 S468 L483 L484 L492 | I467-Q471 HydrophobicContact CG2-CB 3.74Å; I467-Q471 WeakPolarHBondContact CG2-O 3.28Å; I467-Q471 PolarHBondContact N-O 3.24Å; S468-Q471 PolarHBondContact N-O 3.28Å; S468-Q471 PolarHBondContact O-N 2.92Å; S468-Q471 VanDerWaalsContact OG-CB 3.29Å; S468-Q471 WeakPolarHBondContact OG-CB 3.27Å; S468-Q471 PolarHBondContact OG-N 3.03Å; S468-Q471 PolarHBondContact OG-OE1 3.29Å; Q471-L483 HydrophobicContact CB-CD1 3.88Å; Q471-L483 HydrophobicContact CG-CD1 4.33Å; Q471-L484 CarbonylContact C-O 3.59Å; Q471-L484 VanDerWaalsContact CA-O 3.25Å; Q471-L484 WeakPolarHBondContact CA-O 3.48Å; Q471-L492 HydrophobicContact CG-CD1 4.27Å |
| 472 | L | 89.8 | Confident | 88.1 | Confident | 3 Ų | 3 | 21.5 Ų | 21.5 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 136.8 | -178 | -165.5 | 76.3 | 0 | 0 | 0 | 108.8 | A395 V402 L464 W466 V474 L484 | A395-L472 HydrophobicContact CB-CD1 3.85Å; V402-L472 HydrophobicContact CG1-CD2 4.04Å; L464-L472 HydrophobicContact CD1-CD1 3.91Å; L464-L472 HydrophobicContact CD1-CD2 3.51Å; L464-L472 HydrophobicContact CD1-CG 3.64Å; W466-L472 HydrophobicContact CD2-CD1 3.6Å; W466-L472 HydrophobicContact CE3-CD1 3.95Å; W466-L472 HydrophobicContact CG-CD1 3.9Å; W466-L472 HydrophobicContact CZ2-CD1 4.3Å; W466-L472 HydrophobicContact CZ3-CD1 4.46Å; L472-V474 HydrophobicContact CD2-CG2 4.48Å; L472-L484 HydrophobicContact CB-CB 4.4Å; L472-L484 PolarHBondContact N-O 3.33Å; L472-L484 PolarHBondContact O-N 3.3Å |
| 473 | I | 91.4 | Very high | 88.2 | Confident | 4 Ų | 4 | 21.1 Ų | 21.1 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 130.8 | 174.4 | -69.7 | 179.1 | 0 | 0 | 0 | 109.6 | L464 K465 I467 L481 H482 L483 L537 | L464-I473 WeakPolarHBondContact CA-O 3.31Å; K465-I473 PolarHBondContact N-O 3.23Å; K465-I473 PolarHBondContact O-N 3.24Å; I467-I473 HydrophobicContact CB-CD1 3.92Å; I467-I473 HydrophobicContact CB-CG1 4.24Å; I467-I473 HydrophobicContact CD1-CD1 3.4Å; I467-I473 HydrophobicContact CD1-CG1 4.49Å; I467-I473 HydrophobicContact CG1-CD1 4.24Å; I467-I473 HydrophobicContact CG2-CD1 3.99Å; I467-I473 HydrophobicContact CG2-CG1 3.91Å; I473-L481 HydrophobicContact CD1-CD2 4.27Å; I473-L481 HydrophobicContact CG1-CD2 4.31Å; I473-L481 HydrophobicContact CG2-CD1 3.89Å; I473-L481 HydrophobicContact CG2-CD2 3.8Å; I473-L481 HydrophobicContact CG2-CG 3.58Å; I473-H482 WeakPolarHBondContact CA-O 3.17Å; I473-L483 HydrophobicContact CG1-CD1 3.94Å; I473-L537 HydrophobicContact CD1-CD2 4.11Å; I473-L537 HydrophobicContact CG2-CD2 4.25Å |
| 474 | V | 92 | Very high | 88.2 | Confident | 4 Ų | 4 | 21.1 Ų | 21.1 | 2% | 0.024 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 127.7 | 175 | 176.6 | 0 | 0 | 0 | 0 | 108.7 | F457 F461 L464 L472 H482 L484 | F457-V474 HydrophobicContact CZ-CG2 4.43Å; F461-V474 HydrophobicContact CB-CG1 3.29Å; F461-V474 HydrophobicContact CD1-CG1 4.26Å; F461-V474 HydrophobicContact CG-CG1 3.94Å; L464-V474 HydrophobicContact CD1-CG2 3.71Å; L472-V474 HydrophobicContact CD2-CG2 4.48Å; V474-H482 PolarHBondContact N-O 3.19Å; V474-H482 PolarHBondContact O-N 2.94Å; V474-L484 HydrophobicContact CB-CD1 4.1Å; V474-L484 HydrophobicContact CG2-CD1 3.45Å; V474-L484 VanDerWaalsContact CG2-CD1 3.45Å; V474-L484 HydrophobicContact CG2-CG 4.45Å |
| 475 | V | 91.9 | Very high | 87.8 | Confident | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.012 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 123.4 | 172.2 | 179.1 | 0 | 0 | 0 | 0 | 108.3 | F461 L462 N463 Q480 L481 I497 L502 I530 | F461-V475 CarbonylContact C-O 3.56Å; F461-V475 VanDerWaalsContact CA-O 3.3Å; F461-V475 WeakPolarHBondContact CA-O 3.08Å; F461-V475 WeakPolarHBondContact CB-O 3.46Å; L462-V475 PolarHBondContact N-O 2.87Å; N463-V475 HydrophobicContact CB-CB 4.27Å; N463-V475 PolarHBondContact N-O 2.95Å; N463-V475 PolarHBondContact O-N 3.35Å; V475-Q480 WeakPolarHBondContact CA-O 3.24Å; V475-L481 HydrophobicContact CG2-CG 4.41Å; V475-I497 HydrophobicContact CG1-CD1 4.05Å; V475-I497 HydrophobicContact CG2-CD1 4.2Å; V475-L502 HydrophobicContact CG1-CD1 4.36Å; V475-I530 HydrophobicContact CG2-CD1 4.09Å |
| 476 | N | 89.7 | Confident | 87.4 | Confident | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.011 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 175.8 | -176.9 | 74.8 | 11.1 | 0 | 0 | 0 | 113.4 | Q459 N460 L462 C478 E479 Q480 H482 | Q459-N476 PolarHBondContact OE1-ND2 3.38Å; N460-N476 WeakPolarHBondContact O-CA 3.37Å; L462-N476 VanDerWaalsContact CD1-O 3.29Å; L462-N476 WeakPolarHBondContact CD1-O 3.25Å; L462-N476 WeakPolarHBondContact CG-O 3.47Å; N476-C478 PolarHBondContact O-N 2.97Å; N476-C478 WeakPolarHBondContact OD1-CA 3.39Å; N476-C478 WeakPolarHBondContact OD1-CB 3.47Å; N476-C478 PolarHBondContact OD1-N 3.24Å; N476-E479 PolarHBondContact O-N 3.02Å; N476-E479 VanDerWaalsContact O-N 3.11Å; N476-E479 PolarHBondContact OD1-N 2.82Å; N476-E479 VanDerWaalsContact OD1-N 3.14Å; N476-Q480 PolarHBondContact N-O 2.98Å; N476-Q480 PolarHBondContact ND2-OE1 3.22Å; N476-Q480 PolarHBondContact OD1-N 3.22Å; N476-Q480 PolarHBondContact OD1-O 3.15Å; N476-H482 PolarHBondContact ND2-NE2 3.4Å |
| 477 | E | 85.9 | Confident | 87 | Confident | 60 Ų | 60 | 23.2 Ų | 23.2 | 28% | 0.28 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25.2 | 175.3 | -75.2 | 179.4 | -125.5 | 0 | 0 | 115.2 | F376 N460 L462 E479 R524 | F376-E477 HydrophobicContact CE1-CG 3.62Å; F376-E477 HydrophobicContact CZ-CG 3.92Å; F376-E477 WeakPolarHBondContact CZ-OE1 3.48Å; N460-E477 HydrophobicContact CB-CG 4.28Å; N460-E477 WeakPolarHBondContact CB-OE1 3.31Å; N460-E477 VanDerWaalsContact CG-OE1 3.32Å; N460-E477 PolarHBondContact N-OE1 3.24Å; N460-E477 PolarHBondContact ND2-OE1 2.9Å; N460-E477 PolarHBondContact O-N 3.13Å; N460-E477 VanDerWaalsContact O-N 3.09Å; L462-E477 HydrophobicContact CD2-CG 4.42Å; E477-E479 VanDerWaalsContact C-N 3.28Å; E477-R524 VanDerWaalsContact O-CZ 3.28Å; E477-R524 PolarHBondContact O-NH1 3.21Å; E477-R524 PolarHBondContact O-NH2 3.43Å |
| 478 | C | 88.1 | Confident | 86.7 | Confident | 72 Ų | 72 | 25.7 Ų | 25.7 | 49% | 0.486 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 8.4 | 178.3 | -64.1 | 0 | 0 | 0 | 0 | 112.9 | N476 Q480 | N476-C478 PolarHBondContact O-N 2.97Å; N476-C478 WeakPolarHBondContact OD1-CA 3.39Å; N476-C478 WeakPolarHBondContact OD1-CB 3.47Å; N476-C478 PolarHBondContact OD1-N 3.24Å; C478-Q480 VanDerWaalsContact C-N 3.28Å; C478-Q480 HydrophobicContact CB-CG 4.25Å; C478-Q480 PolarHBondContact O-N 3.24Å |
| 479 | E | 88.5 | Confident | 86.7 | Confident | 22 Ų | 22 | 25.5 Ų | 25.5 | 10% | 0.103 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 57.5 | 41.9 | -174.8 | -58.9 | -179.1 | -165.5 | 0 | 0 | 112.2 | N476 E477 I497 S498 F504 R524 | N476-E479 PolarHBondContact O-N 3.02Å; N476-E479 VanDerWaalsContact O-N 3.11Å; N476-E479 PolarHBondContact OD1-N 2.82Å; N476-E479 VanDerWaalsContact OD1-N 3.14Å; E477-E479 VanDerWaalsContact C-N 3.28Å; E479-I497 HydrophobicContact CB-CG1 4.4Å; E479-I497 CarbonylContact O-C 3.55Å; E479-I497 WeakPolarHBondContact O-CA 3.41Å; E479-I497 WeakPolarHBondContact O-CG1 3.42Å; E479-I497 PolarHBondContact O-N 2.89Å; E479-S498 PolarHBondContact O-N 3.31Å; E479-S498 VanDerWaalsContact O-N 3.16Å; E479-F504 WeakPolarHBondContact OE1-CE2 3.44Å; E479-F504 WeakPolarHBondContact OE1-CZ 3.27Å; E479-R524 IonicContact OE1-NH2 2.96Å |
| 480 | Q | 90.3 | Very high | 86.8 | Confident | 62 Ų | 62 | 25.8 Ų | 25.8 | 29% | 0.29 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 136.2 | 166.8 | -52.8 | -179.7 | -33.2 | 0 | 0 | 109.6 | V475 N476 C478 T494 I495 | V475-Q480 WeakPolarHBondContact CA-O 3.24Å; N476-Q480 PolarHBondContact N-O 2.98Å; N476-Q480 PolarHBondContact ND2-OE1 3.22Å; N476-Q480 PolarHBondContact OD1-N 3.22Å; N476-Q480 PolarHBondContact OD1-O 3.15Å; C478-Q480 VanDerWaalsContact C-N 3.28Å; C478-Q480 HydrophobicContact CB-CG 4.25Å; C478-Q480 PolarHBondContact O-N 3.24Å; Q480-T494 HydrophobicContact CB-CG2 4.13Å; Q480-I495 CarbonylContact C-O 3.56Å; Q480-I495 WeakPolarHBondContact CA-O 3.48Å |
| 481 | L | 91.4 | Very high | 87 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 117.7 | 177.5 | -172.6 | 155.6 | 0 | 0 | 0 | 109 | I69 I473 V475 T494 I495 I497 L537 I539 I548 | I69-L481 HydrophobicContact CD1-CD2 3.65Å; I473-L481 HydrophobicContact CD1-CD2 4.27Å; I473-L481 HydrophobicContact CG1-CD2 4.31Å; I473-L481 HydrophobicContact CG2-CD1 3.89Å; I473-L481 HydrophobicContact CG2-CD2 3.8Å; I473-L481 HydrophobicContact CG2-CG 3.58Å; V475-L481 HydrophobicContact CG2-CG 4.41Å; L481-T494 CarbonylContact O-C 3.57Å; L481-T494 VanDerWaalsContact O-CA 3.31Å; L481-T494 WeakPolarHBondContact O-CA 2.76Å; L481-I495 PolarHBondContact N-O 3.21Å; L481-I495 PolarHBondContact O-N 2.92Å; L481-I497 HydrophobicContact CB-CD1 4.25Å; L481-I497 HydrophobicContact CB-CG1 4.44Å; L481-I497 HydrophobicContact CB-CG2 4.16Å; L481-L537 HydrophobicContact CD1-CD2 3.75Å; L481-I539 HydrophobicContact CD1-CD1 4.35Å; L481-I548 HydrophobicContact CD1-CD1 3.53Å; L481-I548 HydrophobicContact CD1-CG2 4.42Å |
| 482 | H | 91 | Very high | 86.8 | Confident | 21 Ų | 21 | 30 Ų | 30 | 10% | 0.097 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 124.1 | 174.9 | -55 | -74.2 | 0 | 0 | 0 | 110.1 | I473 V474 N476 L484 M491 E493 T494 | I473-H482 WeakPolarHBondContact CA-O 3.17Å; V474-H482 PolarHBondContact N-O 3.19Å; V474-H482 PolarHBondContact O-N 2.94Å; N476-H482 PolarHBondContact ND2-NE2 3.4Å; H482-L484 HydrophobicContact CB-CD2 4.12Å; H482-L484 HydrophobicContact CB-CG 4.49Å; H482-M491 HydrophobicContact CB-SD 3.93Å; H482-E493 WeakPolarHBondContact CA-O 3.34Å; H482-T494 VanDerWaalsContact CE1-CG2 3.47Å; H482-T494 WeakPolarHBondContact CE1-CG2 3.32Å; H482-T494 WeakPolarHBondContact ND1-CG2 3.35Å; H482-T494 PolarHBondContact ND1-OG1 2.76Å |
| 483 | L | 90.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 124.4 | 167.1 | -177 | 69 | 0 | 0 | 0 | 108.8 | F68 I69 I467 Q471 I473 L492 E493 L550 | F68-L483 HydrophobicContact CB-CD2 3.71Å; F68-L483 HydrophobicContact CG-CD2 4.33Å; I69-L483 HydrophobicContact CD1-CB 3.63Å; I69-L483 HydrophobicContact CD1-CD2 4.17Å; I69-L483 HydrophobicContact CD1-CG 4.36Å; I69-L483 HydrophobicContact CG1-CB 4.33Å; I69-L483 HydrophobicContact CG1-CD2 3.92Å; I467-L483 HydrophobicContact CG2-CD1 3.96Å; Q471-L483 HydrophobicContact CB-CD1 3.88Å; Q471-L483 HydrophobicContact CG-CD1 4.33Å; I473-L483 HydrophobicContact CG1-CD1 3.94Å; L483-L492 HydrophobicContact CD2-CB 4.28Å; L483-L492 HydrophobicContact CD2-CD1 4.4Å; L483-L492 HydrophobicContact CG-CB 4.31Å; L483-L492 HydrophobicContact CG-CD1 4.38Å; L483-L492 WeakPolarHBondContact O-CB 3.43Å; L483-L492 PolarHBondContact O-N 3.08Å; L483-E493 HydrophobicContact CB-CB 4.19Å; L483-E493 PolarHBondContact N-O 3.06Å; L483-E493 PolarHBondContact O-N 3.3Å; L483-L550 HydrophobicContact CD1-CD2 3.93Å; L483-L550 HydrophobicContact CD2-CD2 3.83Å |
| 484 | L | 89.3 | Confident | 86.5 | Confident | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 148.1 | -174.4 | -52.4 | 175.8 | 0 | 0 | 0 | 110.5 | F457 Q471 L472 V474 H482 E490 M491 | F457-L484 HydrophobicContact CE1-CD1 3.34Å; F457-L484 HydrophobicContact CE1-CD2 4.09Å; F457-L484 HydrophobicContact CE1-CG 4.37Å; F457-L484 HydrophobicContact CZ-CD1 3.31Å; Q471-L484 CarbonylContact C-O 3.59Å; Q471-L484 VanDerWaalsContact CA-O 3.25Å; Q471-L484 WeakPolarHBondContact CA-O 3.48Å; L472-L484 HydrophobicContact CB-CB 4.4Å; L472-L484 PolarHBondContact N-O 3.33Å; L472-L484 PolarHBondContact O-N 3.3Å; V474-L484 HydrophobicContact CB-CD1 4.1Å; V474-L484 HydrophobicContact CG2-CD1 3.45Å; V474-L484 VanDerWaalsContact CG2-CD1 3.45Å; V474-L484 HydrophobicContact CG2-CG 4.45Å; H482-L484 HydrophobicContact CB-CD2 4.12Å; H482-L484 HydrophobicContact CB-CG 4.49Å; L484-E490 WeakPolarHBondContact CA-O 3.48Å; L484-M491 HydrophobicContact CD2-CB 4.06Å; L484-M491 HydrophobicContact CD2-CG 3.5Å; L484-M491 HydrophobicContact CD2-SD 3.78Å |
| 485 | N | 84.7 | Confident | 86.3 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 3% | 0.027 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 124.3 | 163.5 | -178.5 | -28.9 | 0 | 0 | 0 | 109.5 | P53 N470 I487 T488 G489 E490 L492 | P53-N485 WeakPolarHBondContact CD-ND2 3.38Å; P53-N485 HydrophobicContact CG-CB 4.49Å; N470-N485 WeakPolarHBondContact O-CA 3.16Å; N485-I487 VanDerWaalsContact C-N 3.27Å; N485-I487 PolarHBondContact O-N 2.89Å; N485-I487 WeakPolarHBondContact OD1-CB 3.08Å; N485-I487 PolarHBondContact OD1-N 2.73Å; N485-T488 VanDerWaalsContact CB-OG1 3.28Å; N485-T488 WeakPolarHBondContact CB-OG1 3.42Å; N485-T488 PolarHBondContact ND2-OG1 3.34Å; N485-T488 PolarHBondContact OD1-N 3.29Å; N485-G489 VanDerWaalsContact O-CA 3.26Å; N485-G489 WeakPolarHBondContact O-CA 3.3Å; N485-G489 PolarHBondContact O-N 2.75Å; N485-E490 PolarHBondContact N-O 3.26Å; N485-L492 HydrophobicContact CB-CD1 4.29Å; N485-L492 HydrophobicContact CB-CD2 4.18Å; N485-L492 HydrophobicContact CB-CG 4.37Å |
| 486 | S | 81.9 | Confident | 86.1 | Confident | 5 Ų | 5 | 36 Ų | 36 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -22.6 | -177.2 | 66.8 | 0 | 0 | 0 | 0 | 113.9 | I404 F455 F469 N470 | I404-S486 WeakPolarHBondContact CD1-O 3.42Å; F455-S486 WeakPolarHBondContact CE2-O 3.39Å; F455-S486 WeakPolarHBondContact CZ-O 3.44Å; F469-S486 PolarHBondContact O-OG 3.45Å; N470-S486 VanDerWaalsContact C-OG 3.27Å; N470-S486 VanDerWaalsContact CA-OG 3.26Å; N470-S486 WeakPolarHBondContact CA-OG 3.46Å; N470-S486 PolarHBondContact O-N 3.3Å; N470-S486 PolarHBondContact O-OG 3.35Å |
| 487 | I | 79.9 | Confident | 86 | Confident | 64 Ų | 64 | 35.9 Ų | 35.9 | 33% | 0.328 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -45.6 | -178.8 | -60 | 172.1 | 0 | 0 | 0 | 110.5 | Y453 F455 N485 | Y453-I487 HydrophobicContact CE1-CG2 4.48Å; Y453-I487 HydrophobicContact CE2-CG2 4.39Å; F455-I487 WeakPolarHBondContact CZ-O 3.4Å; N485-I487 VanDerWaalsContact C-N 3.27Å; N485-I487 PolarHBondContact O-N 2.89Å; N485-I487 WeakPolarHBondContact OD1-CB 3.08Å; N485-I487 PolarHBondContact OD1-N 2.73Å |
| 488 | T | 77.6 | Confident | 86 | Confident | 61 Ų | 61 | 34.8 Ų | 34.8 | 37% | 0.374 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -20.3 | -174.8 | 62.7 | 0 | 0 | 0 | 0 | 113.6 | A54 F455 N485 E490 | A54-T488 HydrophobicContact CB-CG2 4.33Å; F455-T488 VanDerWaalsContact CE1-C 3.44Å; F455-T488 WeakPolarHBondContact CE1-O 3.41Å; N485-T488 VanDerWaalsContact CB-OG1 3.28Å; N485-T488 WeakPolarHBondContact CB-OG1 3.42Å; N485-T488 PolarHBondContact ND2-OG1 3.34Å; N485-T488 PolarHBondContact OD1-N 3.29Å; T488-E490 PolarHBondContact O-N 2.92Å; T488-E490 VanDerWaalsContact OG1-CB 3.28Å; T488-E490 WeakPolarHBondContact OG1-CB 3.43Å; T488-E490 PolarHBondContact OG1-N 3.35Å |
| 489 | G | 80.1 | Confident | 85.9 | Confident | 17 Ų | 17 | 36.3 Ų | 36.3 | 18% | 0.175 | 20% | 0.196 | C | C | . | . | trans | 71.2 | 7.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N485 | N485-G489 VanDerWaalsContact O-CA 3.26Å; N485-G489 WeakPolarHBondContact O-CA 3.3Å; N485-G489 PolarHBondContact O-N 2.75Å | ||
| 490 | E | 81.5 | Confident | 85.8 | Confident | 91 Ų | 91 | 35.3 Ų | 35.3 | 43% | 0.425 | 19% | 0.191 | S | C | . | . | trans | -72.5 | 136.2 | -179.5 | -172.8 | 175 | -170.4 | 0 | 0 | 111 | L484 N485 T488 L492 | L484-E490 WeakPolarHBondContact CA-O 3.48Å; N485-E490 PolarHBondContact N-O 3.26Å; T488-E490 PolarHBondContact O-N 2.92Å; T488-E490 VanDerWaalsContact OG1-CB 3.28Å; T488-E490 WeakPolarHBondContact OG1-CB 3.43Å; T488-E490 PolarHBondContact OG1-N 3.35Å; E490-L492 PolarHBondContact O-N 3.23Å | ||
| 491 | M | 83.9 | Confident | 85.6 | Confident | 99 Ų | 99 | 37 Ų | 37 | 49% | 0.488 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 117.2 | 175.2 | -62.1 | -127 | -64.6 | 0 | 0 | 110 | H482 L484 | H482-M491 HydrophobicContact CB-SD 3.93Å; L484-M491 HydrophobicContact CD2-CB 4.06Å; L484-M491 HydrophobicContact CD2-CG 3.5Å; L484-M491 HydrophobicContact CD2-SD 3.78Å |
| 492 | L | 84 | Confident | 85.4 | Confident | 33 Ų | 33 | 37.1 Ų | 37.1 | 17% | 0.173 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -44.8 | -179.3 | -53.9 | -174 | 0 | 0 | 0 | 111.6 | P53 F68 Q471 L483 N485 E490 | P53-L492 HydrophobicContact CB-CD2 4Å; P53-L492 HydrophobicContact CG-CD1 4.22Å; P53-L492 HydrophobicContact CG-CD2 3.31Å; P53-L492 HydrophobicContact CG-CG 4.4Å; F68-L492 HydrophobicContact CD2-CB 4.33Å; F68-L492 HydrophobicContact CE2-CB 4.2Å; Q471-L492 HydrophobicContact CG-CD1 4.27Å; L483-L492 HydrophobicContact CD2-CB 4.28Å; L483-L492 HydrophobicContact CD2-CD1 4.4Å; L483-L492 HydrophobicContact CG-CB 4.31Å; L483-L492 HydrophobicContact CG-CD1 4.38Å; L483-L492 WeakPolarHBondContact O-CB 3.43Å; L483-L492 PolarHBondContact O-N 3.08Å; N485-L492 HydrophobicContact CB-CD1 4.29Å; N485-L492 HydrophobicContact CB-CD2 4.18Å; N485-L492 HydrophobicContact CB-CG 4.37Å; E490-L492 PolarHBondContact O-N 3.23Å |
| 493 | E | 87.5 | Confident | 85.3 | Confident | 11 Ų | 11 | 38.8 Ų | 38.8 | 5% | 0.051 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 151 | -176.9 | -168.5 | 176.4 | 153.3 | 0 | 0 | 110.5 | Q66 V67 F68 I69 H482 L483 | Q66-E493 WeakPolarHBondContact CA-OE1 3.47Å; Q66-E493 VanDerWaalsContact CB-OE1 3.3Å; Q66-E493 WeakPolarHBondContact CB-OE1 3.42Å; V67-E493 PolarHBondContact N-OE2 3.31Å; F68-E493 VanDerWaalsContact CA-OE2 3.28Å; F68-E493 WeakPolarHBondContact CA-OE2 3.48Å; F68-E493 VanDerWaalsContact CB-OE2 3.24Å; F68-E493 WeakPolarHBondContact CB-OE2 3.26Å; F68-E493 HydrophobicContact CD2-CB 4.28Å; F68-E493 PolarHBondContact N-OE2 3.04Å; I69-E493 HydrophobicContact CD1-CB 4.36Å; I69-E493 HydrophobicContact CD1-CG 4.44Å; I69-E493 PolarHBondContact N-OE2 2.9Å; H482-E493 WeakPolarHBondContact CA-O 3.34Å; L483-E493 HydrophobicContact CB-CB 4.19Å; L483-E493 PolarHBondContact N-O 3.06Å; L483-E493 PolarHBondContact O-N 3.3Å |
| 494 | T | 87.7 | Confident | 85.1 | Confident | 47 Ų | 47 | 41.5 Ų | 41.5 | 29% | 0.288 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 129 | 173.3 | -60.5 | 0 | 0 | 0 | 0 | 109.7 | Q480 L481 H482 | Q480-T494 HydrophobicContact CB-CG2 4.13Å; L481-T494 CarbonylContact O-C 3.57Å; L481-T494 VanDerWaalsContact O-CA 3.31Å; L481-T494 WeakPolarHBondContact O-CA 2.76Å; H482-T494 VanDerWaalsContact CE1-CG2 3.47Å; H482-T494 WeakPolarHBondContact CE1-CG2 3.32Å; H482-T494 WeakPolarHBondContact ND1-CG2 3.35Å; H482-T494 PolarHBondContact ND1-OG1 2.76Å |
| 495 | I | 87.6 | Confident | 84.7 | Confident | 6 Ų | 6 | 42.1 Ų | 42.1 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 130.4 | 175.6 | -66 | -171.1 | 0 | 0 | 0 | 109.1 | Q66 I69 Q480 L481 I497 | Q66-I495 HydrophobicContact CG-CG1 4.28Å; I69-I495 HydrophobicContact CB-CD1 3.52Å; I69-I495 HydrophobicContact CD1-CD1 4.08Å; I69-I495 HydrophobicContact CD1-CG1 4.36Å; I69-I495 HydrophobicContact CG1-CD1 4.42Å; I69-I495 HydrophobicContact CG2-CD1 3.41Å; I69-I495 VanDerWaalsContact CG2-CD1 3.41Å; Q480-I495 CarbonylContact C-O 3.56Å; Q480-I495 WeakPolarHBondContact CA-O 3.48Å; L481-I495 PolarHBondContact N-O 3.21Å; L481-I495 PolarHBondContact O-N 2.92Å; I495-I497 HydrophobicContact CG2-CG2 3.99Å; I495-I497 PolarHBondContact O-N 2.74Å |
| 496 | D | 86.3 | Confident | 84.4 | Confident | 74 Ų | 74 | 42.8 Ų | 42.8 | 40% | 0.396 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 119.9 | 169.7 | -171.8 | 1.4 | 0 | 0 | 0 | 110.4 | S498 | D496-S498 VanDerWaalsContact CG-OG 3.29Å; D496-S498 WeakPolarHBondContact OD1-CB 3.37Å; D496-S498 PolarHBondContact OD1-N 3.32Å; D496-S498 PolarHBondContact OD1-OG 3.49Å; D496-S498 PolarHBondContact OD2-OG 3.35Å |
| 497 | I | 89.2 | Confident | 84.3 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -113.3 | 8.8 | 177.2 | 62.8 | 167.8 | 0 | 0 | 0 | 112.4 | V475 E479 L481 I495 N499 I500 L502 I539 I548 | V475-I497 HydrophobicContact CG1-CD1 4.05Å; V475-I497 HydrophobicContact CG2-CD1 4.2Å; E479-I497 HydrophobicContact CB-CG1 4.4Å; E479-I497 CarbonylContact O-C 3.55Å; E479-I497 WeakPolarHBondContact O-CA 3.41Å; E479-I497 WeakPolarHBondContact O-CG1 3.42Å; E479-I497 PolarHBondContact O-N 2.89Å; L481-I497 HydrophobicContact CB-CD1 4.25Å; L481-I497 HydrophobicContact CB-CG1 4.44Å; L481-I497 HydrophobicContact CB-CG2 4.16Å; I495-I497 HydrophobicContact CG2-CG2 3.99Å; I495-I497 PolarHBondContact O-N 2.74Å; I497-N499 PolarHBondContact O-N 3.29Å; I497-N499 VanDerWaalsContact O-N 3.16Å; I497-I500 HydrophobicContact CB-CD1 3.82Å; I497-I500 HydrophobicContact CB-CG1 4.32Å; I497-I500 HydrophobicContact CG2-CD1 4Å; I497-I500 VanDerWaalsContact O-CB 3.24Å; I497-I500 WeakPolarHBondContact O-CB 3.38Å; I497-I500 WeakPolarHBondContact O-CG1 3.33Å; I497-I500 PolarHBondContact O-N 2.83Å; I497-L502 HydrophobicContact CD1-CD1 3.73Å; I497-I539 HydrophobicContact CD1-CD1 3.89Å; I497-I548 HydrophobicContact CG2-CD1 4.17Å | ||
| 498 | S | 85.9 | Confident | 84.3 | Confident | 36 Ų | 36 | 45.7 Ų | 45.7 | 25% | 0.252 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -56.6 | -32.3 | 178.9 | 60.4 | 0 | 0 | 0 | 0 | 113.4 | E479 D496 I500 H501 | E479-S498 PolarHBondContact O-N 3.31Å; E479-S498 VanDerWaalsContact O-N 3.16Å; D496-S498 VanDerWaalsContact CG-OG 3.29Å; D496-S498 WeakPolarHBondContact OD1-CB 3.37Å; D496-S498 PolarHBondContact OD1-N 3.32Å; D496-S498 PolarHBondContact OD1-OG 3.49Å; D496-S498 PolarHBondContact OD2-OG 3.35Å; S498-I500 PolarHBondContact O-N 2.91Å; S498-H501 PolarHBondContact O-N 3.36Å; S498-H501 VanDerWaalsContact O-N 3.12Å; S498-H501 PolarHBondContact O-ND1 3.39Å |
| 499 | N | 84.2 | Confident | 84.3 | Confident | 105 Ų | 105 | 43.9 Ų | 43.9 | 56% | 0.561 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -64.9 | -16.5 | 175.5 | -65.9 | -23.3 | 0 | 0 | 0 | 114 | I497 H501 | I497-N499 PolarHBondContact O-N 3.29Å; I497-N499 VanDerWaalsContact O-N 3.16Å; N499-H501 VanDerWaalsContact C-N 3.31Å |
| 500 | I | 86.8 | Confident | 84.1 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -75.6 | -26.2 | 176.8 | -60.4 | -179.1 | 0 | 0 | 0 | 110.5 | I497 S498 I539 G541 E542 T543 Y546 | I497-I500 HydrophobicContact CB-CD1 3.82Å; I497-I500 HydrophobicContact CB-CG1 4.32Å; I497-I500 HydrophobicContact CG2-CD1 4Å; I497-I500 VanDerWaalsContact O-CB 3.24Å; I497-I500 WeakPolarHBondContact O-CB 3.38Å; I497-I500 WeakPolarHBondContact O-CG1 3.33Å; I497-I500 PolarHBondContact O-N 2.83Å; S498-I500 PolarHBondContact O-N 2.91Å; I500-I539 HydrophobicContact CG2-CG2 4.05Å; I500-G541 WeakPolarHBondContact O-CA 3.48Å; I500-E542 PolarHBondContact O-N 2.74Å; I500-T543 PolarHBondContact O-OG1 2.96Å; I500-Y546 HydrophobicContact CB-CD2 4.22Å; I500-Y546 HydrophobicContact CB-CE2 4.17Å; I500-Y546 HydrophobicContact CD1-CD1 4.07Å; I500-Y546 HydrophobicContact CD1-CD2 3.98Å; I500-Y546 HydrophobicContact CD1-CG 3.73Å; I500-Y546 HydrophobicContact CG1-CD1 4.21Å; I500-Y546 HydrophobicContact CG1-CD2 3.91Å; I500-Y546 HydrophobicContact CG1-CE1 4.24Å; I500-Y546 HydrophobicContact CG1-CE2 3.97Å; I500-Y546 HydrophobicContact CG1-CG 4.04Å; I500-Y546 HydrophobicContact CG2-CD2 3.45Å; I500-Y546 VanDerWaalsContact CG2-CD2 3.45Å; I500-Y546 HydrophobicContact CG2-CE2 3.65Å; I500-Y546 HydrophobicContact CG2-CG 4.28Å |
| 501 | H | 87 | Confident | 83.4 | Confident | 97 Ų | 97 | 49.6 Ų | 49.6 | 45% | 0.449 | 24% | 0.244 | S | C | . | . | trans | 53.4 | 80.7 | -170.9 | -60.4 | -47.7 | 0 | 0 | 0 | 111.2 | S498 N499 R503 G541 E542 | S498-H501 PolarHBondContact O-N 3.36Å; S498-H501 VanDerWaalsContact O-N 3.12Å; S498-H501 PolarHBondContact O-ND1 3.39Å; N499-H501 VanDerWaalsContact C-N 3.31Å; H501-R503 PolarHBondContact O-N 2.62Å; H501-G541 CarbonylContact O-C 3.56Å; H501-G541 VanDerWaalsContact O-CA 3.25Å; H501-G541 WeakPolarHBondContact O-CA 3.14Å; H501-E542 HydrophobicContact CB-CB 4.07Å; H501-E542 HydrophobicContact CB-CG 4.32Å; H501-E542 PolarHBondContact O-N 2.89Å | ||
| 502 | L | 87.6 | Confident | 82.4 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -59.2 | 127.3 | -174.7 | -121 | 145 | 0 | 0 | 0 | 111 | V475 I497 F504 C526 I530 I539 | V475-L502 HydrophobicContact CG1-CD1 4.36Å; I497-L502 HydrophobicContact CD1-CD1 3.73Å; L502-F504 HydrophobicContact CB-CZ 4.26Å; L502-F504 VanDerWaalsContact O-CD2 3.32Å; L502-F504 WeakPolarHBondContact O-CD2 3.32Å; L502-F504 WeakPolarHBondContact O-CE2 3.41Å; L502-F504 PolarHBondContact O-N 2.87Å; L502-C526 HydrophobicContact CD2-CB 3.68Å; L502-I530 HydrophobicContact CD1-CD1 4.14Å; L502-I530 HydrophobicContact CD2-CD1 3.85Å; L502-I530 HydrophobicContact CD2-CG1 3.81Å; L502-I539 HydrophobicContact CD1-CG2 4.47Å; L502-I539 HydrophobicContact CD2-CG2 4.45Å; L502-I539 HydrophobicContact CG-CG2 4.16Å |
| 503 | R | 87.2 | Confident | 82 | Confident | 55 Ų | 55 | 54.9 Ų | 54.9 | 21% | 0.208 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 117.2 | -178.1 | -165.5 | 165 | -172 | 126.1 | -3.4 | 110.3 | D92 P93 H501 S529 L540 | D92-R503 IonicContact OD2-NH1 3.77Å; D92-R503 IonicContact OD2-NH2 2.76Å; D92-R503 PolarHBondContact OD2-NH2 2.93Å; P93-R503 WeakPolarHBondContact O-CD 3.5Å; P93-R503 PolarHBondContact O-NE 3.33Å; H501-R503 PolarHBondContact O-N 2.62Å; R503-S529 WeakPolarHBondContact O-CB 3.32Å; R503-S529 PolarHBondContact O-OG 2.67Å; R503-L540 PolarHBondContact N-O 2.71Å |
| 504 | F | 87 | Confident | 81.6 | Confident | 57 Ų | 57 | 55.4 Ų | 55.4 | 25% | 0.25 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -92.3 | 139.2 | 179.2 | -61.7 | -70.1 | 0 | 0 | 0 | 112.3 | L462 E479 L502 S506 R524 A525 C526 | L462-F504 HydrophobicContact CD1-CE1 4.29Å; L462-F504 HydrophobicContact CD1-CZ 4.47Å; E479-F504 WeakPolarHBondContact OE1-CE2 3.44Å; E479-F504 WeakPolarHBondContact OE1-CZ 3.27Å; L502-F504 HydrophobicContact CB-CZ 4.26Å; L502-F504 VanDerWaalsContact O-CD2 3.32Å; L502-F504 WeakPolarHBondContact O-CD2 3.32Å; L502-F504 WeakPolarHBondContact O-CE2 3.41Å; L502-F504 PolarHBondContact O-N 2.87Å; F504-S506 PolarHBondContact O-N 3.32Å; F504-R524 VanDerWaalsContact CD1-C 3.47Å; F504-R524 HydrophobicContact CD1-CB 4.2Å; F504-R524 WeakPolarHBondContact CD1-O 3.3Å; F504-R524 HydrophobicContact CE1-CB 4.1Å; F504-A525 CarbonylContact C-O 3.51Å; F504-A525 WeakPolarHBondContact CA-O 3.34Å; F504-C526 HydrophobicContact CD1-CB 3.94Å; F504-C526 HydrophobicContact CE1-CB 4.06Å |
| 505 | H | 81.8 | Confident | 81.3 | Confident | 16 Ų | 16 | 54.8 Ų | 54.8 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | trans | -89.1 | 32.9 | 179.1 | -58.3 | 92.4 | 0 | 0 | 0 | 113.1 | S94 D507 L508 A525 S529 | S94-H505 PolarHBondContact O-CD2 2.95Å; S94-H505 PolarHBondContact O-NE2 2.72Å; H505-D507 PolarHBondContact O-N 3.4Å; H505-L508 HydrophobicContact CB-CD1 4.08Å; H505-L508 PolarHBondContact O-N 2.91Å; H505-A525 PolarHBondContact N-O 3.04Å; H505-S529 PolarHBondContact CE1-N 2.69Å; H505-S529 PolarHBondContact CE1-OG 2.8Å | ||
| 506 | S | 78.6 | Confident | 81 | Confident | 20 Ų | 20 | 62.9 Ų | 62.9 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -55.8 | -29.4 | -173.4 | 70.9 | 0 | 0 | 0 | 0 | 113.4 | F504 L508 F509 K510 E523 | F504-S506 PolarHBondContact O-N 3.32Å; S506-L508 VanDerWaalsContact C-N 3.27Å; S506-L508 PolarHBondContact O-N 3.47Å; S506-F509 PolarHBondContact O-N 2.78Å; S506-K510 WeakPolarHBondContact O-CG 3.37Å; S506-K510 PolarHBondContact O-N 3.4Å; S506-K510 PolarHBondContact OG-NZ 3.48Å; S506-E523 WeakPolarHBondContact CB-O 3.23Å |
| 507 | D | 79.4 | Confident | 80.8 | Confident | 113 Ų | 113 | 61.8 Ų | 61.8 | 60% | 0.604 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -63.9 | -29.2 | -179.2 | -60.8 | -26.9 | 0 | 0 | 0 | 113.2 | H505 F509 K510 Y511 | H505-D507 PolarHBondContact O-N 3.4Å; D507-F509 PolarHBondContact O-N 2.92Å; D507-K510 PolarHBondContact O-N 3.45Å; D507-K510 IonicContact OD1-NZ 3.87Å; D507-Y511 WeakPolarHBondContact O-CD2 3.4Å |
| 508 | L | 79.3 | Confident | 80.5 | Confident | 17 Ų | 17 | 62 Ų | 62 | 9% | 0.089 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -64.8 | -26 | 173.9 | -94.9 | 110.1 | 0 | 0 | 0 | 112.5 | T145 H505 S506 I514 | T145-L508 HydrophobicContact CG2-CD1 3.95Å; T145-L508 HydrophobicContact CG2-CD2 3.89Å; T145-L508 HydrophobicContact CG2-CG 4.04Å; H505-L508 HydrophobicContact CB-CD1 4.08Å; H505-L508 PolarHBondContact O-N 2.91Å; S506-L508 VanDerWaalsContact C-N 3.27Å; S506-L508 PolarHBondContact O-N 3.47Å; L508-I514 WeakPolarHBondContact O-CD1 3.48Å |
| 509 | F | 78.8 | Confident | 80.4 | Confident | 22 Ų | 22 | 62.1 Ų | 62.1 | 10% | 0.096 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -100.4 | -1.2 | -174 | -60.7 | -78 | 0 | 0 | 0 | 113.3 | L377 S506 D507 L518 A519 G522 A525 | L377-F509 HydrophobicContact CD1-CZ 4.19Å; S506-F509 PolarHBondContact O-N 2.78Å; D507-F509 PolarHBondContact O-N 2.92Å; F509-L518 HydrophobicContact CD1-CD1 4.2Å; F509-L518 HydrophobicContact CD1-CD2 4.43Å; F509-L518 HydrophobicContact CD1-CG 3.9Å; F509-L518 HydrophobicContact CE1-CD1 4.02Å; F509-L518 HydrophobicContact CE1-CD2 4.48Å; F509-L518 HydrophobicContact CE1-CG 4.14Å; F509-A519 WeakPolarHBondContact O-CA 3.09Å; F509-A519 WeakPolarHBondContact O-CB 3.28Å; F509-G522 WeakPolarHBondContact CD2-O 3.45Å; F509-A525 HydrophobicContact CD2-CB 3.98Å; F509-A525 HydrophobicContact CE2-CB 3.39Å; F509-A525 HydrophobicContact CZ-CB 4.14Å |
| 510 | K | 73.9 | Confident | 80.5 | Confident | 135 Ų | 135 | 63.3 Ų | 63.3 | 59% | 0.587 | 32% | 0.321 | S | S | * | . | trans | -94.7 | 5.6 | 178.7 | -71 | 170.2 | -177.5 | 161.8 | 0 | 114.2 | S506 D507 | S506-K510 WeakPolarHBondContact O-CG 3.37Å; S506-K510 PolarHBondContact O-N 3.4Å; S506-K510 PolarHBondContact OG-NZ 3.48Å; D507-K510 PolarHBondContact O-N 3.45Å; D507-K510 IonicContact OD1-NZ 3.87Å | ||
| 511 | Y | 67.9 | Low | 80.4 | Confident | 94 Ų | 94 | 63.6 Ų | 63.6 | 37% | 0.369 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -72.9 | 146.4 | -176.8 | -88.8 | -93 | 0 | 0 | 0 | 113.1 | D507 K513 I514 | D507-Y511 WeakPolarHBondContact O-CD2 3.4Å; Y511-K513 PolarHBondContact O-N 2.87Å; Y511-I514 PolarHBondContact O-N 2.93Å |
| 512 | P | 63.6 | Low | 80.3 | Confident | 128 Ų | 128 | 59 Ų | 59 | 83% | 0.831 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 2 | -169.8 | 26.2 | -35.8 | 0 | 0 | 0 | 116.2 | ||
| 513 | K | 75.3 | Confident | 80.1 | Confident | 114 Ų | 114 | 64.5 Ų | 64.5 | 50% | 0.496 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | 14.3 | -179.4 | -65.6 | -169.8 | -179.7 | -174.6 | 0 | 113.9 | V253 H255 Y511 | V253-K513 PolarHBondContact O-NZ 2.87Å; H255-K513 PolarHBondContact CE1-O 2.94Å; Y511-K513 PolarHBondContact O-N 2.87Å |
| 514 | I | 78.1 | Confident | 80 | Confident | 23 Ų | 23 | 66.4 Ų | 66.4 | 12% | 0.118 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -94.8 | 146.2 | 179.1 | -62.7 | 178.4 | 0 | 0 | 0 | 109.1 | T274 L508 Y511 L518 A519 | T274-I514 HydrophobicContact CG2-CD1 4.01Å; L508-I514 WeakPolarHBondContact O-CD1 3.48Å; Y511-I514 PolarHBondContact O-N 2.93Å; I514-L518 HydrophobicContact CG2-CB 3.67Å; I514-L518 HydrophobicContact CG2-CD2 3.82Å; I514-L518 HydrophobicContact CG2-CG 3.84Å; I514-A519 HydrophobicContact CG2-CB 4.45Å |
| 515 | S | 82.4 | Confident | 80 | Confident | 33 Ų | 33 | 64 Ų | 64 | 23% | 0.231 | 33% | 0.325 | C | S | . | . | trans | -62.9 | 149.1 | 174.3 | 72.3 | 0 | 0 | 0 | 0 | 111.3 | E304 A517 L518 A519 | E304-S515 VanDerWaalsContact OE1-CB 3.25Å; E304-S515 WeakPolarHBondContact OE1-CB 3.17Å; E304-S515 PolarHBondContact OE1-OG 3.17Å; E304-S515 VanDerWaalsContact OE2-CB 3.3Å; E304-S515 WeakPolarHBondContact OE2-CB 3.43Å; E304-S515 PolarHBondContact OE2-OG 2.95Å; S515-A517 PolarHBondContact O-N 3.38Å; S515-L518 PolarHBondContact O-N 2.96Å; S515-L518 VanDerWaalsContact O-N 3.13Å; S515-L518 VanDerWaalsContact OG-CB 3.27Å; S515-L518 WeakPolarHBondContact OG-CB 3.27Å; S515-L518 PolarHBondContact OG-N 3.42Å; S515-L518 VanDerWaalsContact OG-N 3.13Å; S515-A519 WeakPolarHBondContact O-CB 3.5Å; S515-A519 PolarHBondContact O-N 3.42Å | ||
| 516 | E | 81.3 | Confident | 80.3 | Confident | 176 Ų | 176 | 63.3 Ų | 63.3 | 82% | 0.822 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -58.5 | -35.6 | 178.1 | -168.1 | 174.4 | -171 | 0 | 0 | 112 | F520 | E516-F520 WeakPolarHBondContact O-CB 3.01Å; E516-F520 PolarHBondContact O-N 3.26Å |
| 517 | A | 80.8 | Confident | 80.6 | Confident | 52 Ų | 52 | 64.3 Ų | 64.3 | 43% | 0.43 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.9 | -44 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S515 A521 | S515-A517 PolarHBondContact O-N 3.38Å; A517-A521 WeakPolarHBondContact O-CB 3.09Å; A517-A521 PolarHBondContact O-N 3.41Å |
| 518 | L | 83.4 | Confident | 81 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71.4 | -35.5 | 178.8 | -172.6 | 62.5 | 0 | 0 | 0 | 111.7 | C306 F350 L377 F509 I514 S515 G522 | C306-L518 HydrophobicContact CB-CD1 3.63Å; F350-L518 HydrophobicContact CE2-CB 4.22Å; F350-L518 HydrophobicContact CE2-CD1 3.86Å; F350-L518 HydrophobicContact CZ-CD1 4.05Å; L377-L518 HydrophobicContact CD2-CD1 3.75Å; F509-L518 HydrophobicContact CD1-CD1 4.2Å; F509-L518 HydrophobicContact CD1-CD2 4.43Å; F509-L518 HydrophobicContact CD1-CG 3.9Å; F509-L518 HydrophobicContact CE1-CD1 4.02Å; F509-L518 HydrophobicContact CE1-CD2 4.48Å; F509-L518 HydrophobicContact CE1-CG 4.14Å; I514-L518 HydrophobicContact CG2-CB 3.67Å; I514-L518 HydrophobicContact CG2-CD2 3.82Å; I514-L518 HydrophobicContact CG2-CG 3.84Å; S515-L518 PolarHBondContact O-N 2.96Å; S515-L518 VanDerWaalsContact O-N 3.13Å; S515-L518 VanDerWaalsContact OG-CB 3.27Å; S515-L518 WeakPolarHBondContact OG-CB 3.27Å; S515-L518 PolarHBondContact OG-N 3.42Å; S515-L518 VanDerWaalsContact OG-N 3.13Å; L518-G522 WeakPolarHBondContact O-CA 3.42Å; L518-G522 PolarHBondContact O-N 3.22Å |
| 519 | A | 84.4 | Confident | 81.5 | Confident | 39 Ų | 39 | 59.2 Ų | 59.2 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F509 I514 S515 | F509-A519 WeakPolarHBondContact O-CA 3.09Å; F509-A519 WeakPolarHBondContact O-CB 3.28Å; I514-A519 HydrophobicContact CG2-CB 4.45Å; S515-A519 WeakPolarHBondContact O-CB 3.5Å; S515-A519 PolarHBondContact O-N 3.42Å |
| 520 | F | 84.9 | Confident | 82.1 | Confident | 130 Ų | 130 | 58.2 Ų | 58.2 | 57% | 0.57 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -67.3 | -48.6 | 177.9 | -176.5 | -108.4 | 0 | 0 | 0 | 112.3 | A375 E516 G522 E523 | A375-F520 HydrophobicContact CB-CD1 4.24Å; A375-F520 HydrophobicContact CB-CE1 3.58Å; A375-F520 HydrophobicContact CB-CZ 4.49Å; E516-F520 WeakPolarHBondContact O-CB 3.01Å; E516-F520 PolarHBondContact O-N 3.26Å; F520-G522 PolarHBondContact O-N 3.42Å; F520-E523 PolarHBondContact O-N 3.5Å |
| 521 | A | 85.2 | Confident | 82.8 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 6% | 0.058 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.9 | -25 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F350 A375 L377 A517 E523 | F350-A521 HydrophobicContact CE1-CB 3.61Å; F350-A521 HydrophobicContact CZ-CB 3.59Å; A375-A521 WeakPolarHBondContact O-CA 3.46Å; L377-A521 HydrophobicContact CD2-CB 3.84Å; L377-A521 HydrophobicContact CG-CB 4.15Å; A517-A521 WeakPolarHBondContact O-CB 3.09Å; A517-A521 PolarHBondContact O-N 3.41Å; A521-E523 VanDerWaalsContact C-N 3.31Å; A521-E523 PolarHBondContact O-N 3.22Å |
| 522 | G | 84.4 | Confident | 83.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -78 | -7.4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | F509 L518 F520 R524 A525 | F509-G522 WeakPolarHBondContact CD2-O 3.45Å; L518-G522 WeakPolarHBondContact O-CA 3.42Å; L518-G522 PolarHBondContact O-N 3.22Å; F520-G522 PolarHBondContact O-N 3.42Å; G522-R524 VanDerWaalsContact C-N 3.28Å; G522-R524 PolarHBondContact O-N 2.96Å; G522-A525 WeakPolarHBondContact O-CB 3.4Å; G522-A525 PolarHBondContact O-N 2.92Å |
| 523 | E | 84.4 | Confident | 84.5 | Confident | 120 Ų | 120 | 45.7 Ų | 45.7 | 56% | 0.561 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -60.3 | -36.9 | -176.3 | -170.5 | 172.6 | -164.8 | 0 | 0 | 112.7 | S506 F520 A521 | S506-E523 WeakPolarHBondContact CB-O 3.23Å; F520-E523 PolarHBondContact O-N 3.5Å; A521-E523 VanDerWaalsContact C-N 3.31Å; A521-E523 PolarHBondContact O-N 3.22Å |
| 524 | R | 85.1 | Confident | 84.5 | Confident | 95 Ų | 95 | 41 Ų | 41 | 36% | 0.358 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -110.2 | 28.9 | 177.4 | -58.4 | -168.5 | 74.1 | -179.2 | -0.9 | 113.3 | L462 E477 E479 F504 G522 C526 | L462-R524 HydrophobicContact CD2-CB 4.01Å; E477-R524 VanDerWaalsContact O-CZ 3.28Å; E477-R524 PolarHBondContact O-NH1 3.21Å; E477-R524 PolarHBondContact O-NH2 3.43Å; E479-R524 IonicContact OE1-NH2 2.96Å; F504-R524 VanDerWaalsContact CD1-C 3.47Å; F504-R524 HydrophobicContact CD1-CB 4.2Å; F504-R524 WeakPolarHBondContact CD1-O 3.3Å; F504-R524 HydrophobicContact CE1-CB 4.1Å; G522-R524 VanDerWaalsContact C-N 3.28Å; G522-R524 PolarHBondContact O-N 2.96Å; R524-C526 PolarHBondContact O-N 3.24Å |
| 525 | A | 87.2 | Confident | 84.4 | Confident | 6 Ų | 6 | 42 Ų | 42 | 5% | 0.05 | 23% | 0.227 | C | C | . | . | trans | -69.3 | 121.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L377 F504 H505 F509 G522 | L377-A525 HydrophobicContact CD1-CB 3.73Å; F504-A525 CarbonylContact C-O 3.51Å; F504-A525 WeakPolarHBondContact CA-O 3.34Å; H505-A525 PolarHBondContact N-O 3.04Å; F509-A525 HydrophobicContact CD2-CB 3.98Å; F509-A525 HydrophobicContact CE2-CB 3.39Å; F509-A525 HydrophobicContact CZ-CB 4.14Å; G522-A525 WeakPolarHBondContact O-CB 3.4Å; G522-A525 PolarHBondContact O-N 2.92Å | ||
| 526 | C | 88.1 | Confident | 84.4 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | trans | -121.9 | 19.5 | 179.7 | 64.9 | 0 | 0 | 0 | 0 | 113.6 | L462 N463 L502 F504 R524 H528 S529 | L462-C526 PolarHBondContact O-SG 2.86Å; L462-C526 VanDerWaalsContact O-SG 3.36Å; N463-C526 PolarHBondContact ND2-SG 3.23Å; L502-C526 HydrophobicContact CD2-CB 3.68Å; F504-C526 HydrophobicContact CD1-CB 3.94Å; F504-C526 HydrophobicContact CE1-CB 4.06Å; R524-C526 PolarHBondContact O-N 3.24Å; C526-H528 VanDerWaalsContact C-N 3.26Å; C526-H528 PolarHBondContact O-N 2.87Å; C526-H528 VanDerWaalsContact O-N 3.16Å; C526-S529 PolarHBondContact O-N 2.88Å | ||
| 527 | M | 84.2 | Confident | 84.8 | Confident | 41 Ų | 41 | 32.8 Ų | 32.8 | 20% | 0.202 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -31.7 | -167.5 | -155.1 | -163 | 69.8 | 0 | 0 | 113.7 | L259 | L259-M527 HydrophobicContact CD2-CE 3.01Å; L259-M527 HydrophobicContact CD2-SD 3.55Å; L259-M527 VanDerWaalsContact CD2-SD 3.55Å; L259-M527 HydrophobicContact CG-CE 4.46Å |
| 528 | H | 88.5 | Confident | 85.2 | Confident | 23 Ų | 23 | 30.4 Ų | 30.4 | 11% | 0.106 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 6.7 | 179.5 | -53.4 | -66.5 | 0 | 0 | 0 | 114 | C95 V96 T145 S258 C526 | C95-H528 HydrophobicContact CB-CB 3.88Å; V96-H528 PolarHBondContact N-O 3.07Å; V96-H528 VanDerWaalsContact N-O 3.11Å; T145-H528 PolarHBondContact O-CD2 3.39Å; S258-H528 PolarHBondContact O-CE1 3.17Å; S258-H528 PolarHBondContact O-NE2 2.93Å; C526-H528 VanDerWaalsContact C-N 3.26Å; C526-H528 PolarHBondContact O-N 2.87Å; C526-H528 VanDerWaalsContact O-N 3.16Å |
| 529 | S | 90.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -19.1 | 176.4 | -68.8 | 0 | 0 | 0 | 0 | 112.2 | R503 H505 C526 I539 L540 | R503-S529 WeakPolarHBondContact O-CB 3.32Å; R503-S529 PolarHBondContact O-OG 2.67Å; H505-S529 PolarHBondContact CE1-N 2.69Å; H505-S529 PolarHBondContact CE1-OG 2.8Å; C526-S529 PolarHBondContact O-N 2.88Å; S529-I539 CarbonylContact O-C 3.44Å; S529-I539 WeakPolarHBondContact O-CA 3.03Å; S529-L540 PolarHBondContact O-N 2.74Å |
| 530 | I | 91.6 | Very high | 86 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 116.7 | -178.6 | -55.8 | -177.2 | 0 | 0 | 0 | 108.8 | N463 K465 V475 L502 L537 | N463-I530 HydrophobicContact CB-CD1 3.92Å; K465-I530 HydrophobicContact CG-CG2 4.34Å; V475-I530 HydrophobicContact CG2-CD1 4.09Å; L502-I530 HydrophobicContact CD1-CD1 4.14Å; L502-I530 HydrophobicContact CD2-CD1 3.85Å; L502-I530 HydrophobicContact CD2-CG1 3.81Å; I530-L537 HydrophobicContact CG2-CD1 3.52Å; I530-L537 HydrophobicContact CG2-CD2 4.28Å; I530-L537 HydrophobicContact CG2-CG 4.09Å |
| 531 | T | 89 | Confident | 86.3 | Confident | 22 Ų | 22 | 22.6 Ų | 22.6 | 14% | 0.135 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 137.8 | 178.8 | 58.1 | 0 | 0 | 0 | 0 | 110.5 | V96 F98 L538 | V96-T531 HydrophobicContact CG1-CG2 4.05Å; V96-T531 WeakPolarHBondContact O-CG2 2.88Å; F98-T531 WeakPolarHBondContact CB-OG1 3.21Å; T531-L538 PolarHBondContact N-O 2.72Å; T531-L538 PolarHBondContact O-N 2.89Å |
| 532 | A | 85.6 | Confident | 86.2 | Confident | 33 Ų | 33 | 28.4 Ų | 28.4 | 27% | 0.273 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 141.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | K465 Q536 L537 | K465-A532 HydrophobicContact CB-CB 4.15Å; K465-A532 HydrophobicContact CD-CB 4.38Å; K465-A532 HydrophobicContact CG-CB 4.34Å; A532-Q536 WeakPolarHBondContact CA-O 3.46Å; A532-L537 HydrophobicContact CB-CD1 3.84Å |
| 533 | Y | 80.7 | Confident | 86.1 | Confident | 39 Ų | 39 | 30 Ų | 30 | 15% | 0.153 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 125.7 | 170.5 | -179.3 | -108.9 | 0 | 0 | 0 | 109.9 | R99 Q536 | R99-Y533 HydrophobicContact CB-CD2 4.46Å; R99-Y533 HydrophobicContact CG-CD2 3.57Å; R99-Y533 HydrophobicContact CG-CE1 4.43Å; R99-Y533 HydrophobicContact CG-CE2 3.44Å; R99-Y533 VanDerWaalsContact CG-CE2 3.44Å; R99-Y533 HydrophobicContact CG-CG 4.12Å; Y533-Q536 PolarHBondContact N-O 2.84Å; Y533-Q536 PolarHBondContact O-N 3.4Å; Y533-Q536 VanDerWaalsContact O-N 3.17Å |
| 534 | G | 74.8 | Confident | 86.2 | Confident | 14 Ų | 14 | 24.8 Ų | 24.8 | 14% | 0.144 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | -136.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I467 Q536 | I467-G534 VanDerWaalsContact O-O 3.06Å; G534-Q536 PolarHBondContact O-N 3.46Å |
| 535 | S | 76.7 | Confident | 86.4 | Confident | 45 Ų | 45 | 20.3 Ų | 20.3 | 32% | 0.315 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 18.3 | 174.9 | 58.4 | 0 | 0 | 0 | 0 | 114 | I467 L550 | I467-S535 WeakPolarHBondContact CD1-O 3.27Å; I467-S535 WeakPolarHBondContact O-CA 3.35Å; S535-L550 PolarHBondContact O-N 2.77Å |
| 536 | Q | 83.1 | Confident | 86.5 | Confident | 14 Ų | 14 | 21.4 Ų | 21.4 | 7% | 0.065 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 140.3 | -172.5 | -60.9 | -179.1 | 4.2 | 0 | 0 | 111.9 | D36 F98 A532 Y533 G534 L547 I548 A549 | D36-Q536 PolarHBondContact O-NE2 3.23Å; F98-Q536 HydrophobicContact CE1-CB 3.97Å; F98-Q536 HydrophobicContact CZ-CB 4.49Å; A532-Q536 WeakPolarHBondContact CA-O 3.46Å; Y533-Q536 PolarHBondContact N-O 2.84Å; Y533-Q536 PolarHBondContact O-N 3.4Å; Y533-Q536 VanDerWaalsContact O-N 3.17Å; G534-Q536 PolarHBondContact O-N 3.46Å; Q536-L547 HydrophobicContact CB-CD1 4.1Å; Q536-I548 CarbonylContact C-O 3.6Å; Q536-I548 WeakPolarHBondContact CA-O 3.5Å; Q536-A549 HydrophobicContact CG-CB 4.19Å |
| 537 | L | 88.2 | Confident | 86.5 | Confident | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 123.7 | 179.6 | -175.6 | 78.3 | 0 | 0 | 0 | 109.1 | K465 I473 L481 I530 A532 I539 I548 | K465-L537 HydrophobicContact CB-CD1 4.27Å; K465-L537 HydrophobicContact CG-CD1 4.26Å; I473-L537 HydrophobicContact CD1-CD2 4.11Å; I473-L537 HydrophobicContact CG2-CD2 4.25Å; L481-L537 HydrophobicContact CD1-CD2 3.75Å; I530-L537 HydrophobicContact CG2-CD1 3.52Å; I530-L537 HydrophobicContact CG2-CD2 4.28Å; I530-L537 HydrophobicContact CG2-CG 4.09Å; A532-L537 HydrophobicContact CB-CD1 3.84Å; L537-I539 HydrophobicContact CD2-CD1 3.99Å; L537-I539 HydrophobicContact CD2-CG1 4.13Å; L537-I539 HydrophobicContact CG-CG1 4.25Å; L537-I548 HydrophobicContact CB-CB 4.21Å; L537-I548 PolarHBondContact N-O 2.86Å; L537-I548 PolarHBondContact O-N 3.32Å |
| 538 | L | 90 | Very high | 86.6 | Confident | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 124 | 177.6 | -165.1 | 76.3 | 0 | 0 | 0 | 109.7 | L74 V96 F98 V102 T531 L545 Y546 L547 | L74-L538 HydrophobicContact CD1-CD1 3.72Å; L74-L538 HydrophobicContact CG-CD1 4.47Å; V96-L538 HydrophobicContact CG2-CD2 3.64Å; F98-L538 HydrophobicContact CB-CB 4.16Å; F98-L538 HydrophobicContact CB-CD2 3.78Å; F98-L538 HydrophobicContact CD1-CB 4.02Å; F98-L538 HydrophobicContact CD2-CD2 4.22Å; F98-L538 HydrophobicContact CG-CB 4.12Å; F98-L538 HydrophobicContact CG-CD2 4Å; V102-L538 HydrophobicContact CG1-CD2 4.03Å; V102-L538 HydrophobicContact CG2-CD2 4.24Å; T531-L538 PolarHBondContact N-O 2.72Å; T531-L538 PolarHBondContact O-N 2.89Å; L538-L545 HydrophobicContact CD1-CD1 4.22Å; L538-L545 HydrophobicContact CD1-CD2 4.15Å; L538-L545 HydrophobicContact CD1-CG 3.9Å; L538-L545 HydrophobicContact CD2-CD1 3.96Å; L538-L545 HydrophobicContact CD2-CD2 4.14Å; L538-L545 HydrophobicContact CD2-CG 4.3Å; L538-L545 HydrophobicContact CG-CD1 3.83Å; L538-L545 HydrophobicContact CG-CD2 4.41Å; L538-L545 HydrophobicContact CG-CG 4.09Å; L538-Y546 CarbonylContact C-O 3.56Å; L538-Y546 WeakPolarHBondContact CA-O 3.39Å; L538-L547 HydrophobicContact CD1-CB 4.45Å; L538-L547 HydrophobicContact CD1-CD1 4.07Å |
| 539 | I | 92.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 122.9 | -177.8 | -56.8 | -175.9 | 0 | 0 | 0 | 109.8 | L481 I497 I500 L502 S529 L537 Y546 I548 | L481-I539 HydrophobicContact CD1-CD1 4.35Å; I497-I539 HydrophobicContact CD1-CD1 3.89Å; I500-I539 HydrophobicContact CG2-CG2 4.05Å; L502-I539 HydrophobicContact CD1-CG2 4.47Å; L502-I539 HydrophobicContact CD2-CG2 4.45Å; L502-I539 HydrophobicContact CG-CG2 4.16Å; S529-I539 CarbonylContact O-C 3.44Å; S529-I539 WeakPolarHBondContact O-CA 3.03Å; L537-I539 HydrophobicContact CD2-CD1 3.99Å; L537-I539 HydrophobicContact CD2-CG1 4.13Å; L537-I539 HydrophobicContact CG-CG1 4.25Å; I539-Y546 PolarHBondContact N-O 3.09Å; I539-Y546 PolarHBondContact O-N 3.15Å; I539-I548 HydrophobicContact CD1-CD1 3.53Å; I539-I548 HydrophobicContact CD1-CG1 4.39Å; I539-I548 HydrophobicContact CG1-CD1 4.46Å |
| 540 | L | 92.1 | Very high | 85.9 | Confident | 3 Ų | 3 | 19.4 Ų | 19.4 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 110.6 | 171.2 | -177.3 | 67.8 | 0 | 0 | 0 | 110 | P93 V96 R503 S529 L545 | P93-L540 HydrophobicContact CB-CD1 3.95Å; P93-L540 HydrophobicContact CB-CD2 4.16Å; V96-L540 HydrophobicContact CB-CB 4.5Å; V96-L540 HydrophobicContact CG1-CB 4.07Å; R503-L540 PolarHBondContact N-O 2.71Å; S529-L540 PolarHBondContact O-N 2.74Å; L540-L545 HydrophobicContact CB-CD1 4.23Å; L540-L545 HydrophobicContact CD1-CD1 4.01Å |
| 541 | G | 90 | Very high | 85.2 | Confident | 6 Ų | 6 | 21.7 Ų | 21.7 | 6% | 0.062 | 12% | 0.121 | C | C | . | . | B | Isolated β-bridge | trans | -105.9 | 172.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I500 H501 T543 G544 | I500-G541 WeakPolarHBondContact O-CA 3.48Å; H501-G541 CarbonylContact O-C 3.56Å; H501-G541 VanDerWaalsContact O-CA 3.25Å; H501-G541 WeakPolarHBondContact O-CA 3.14Å; G541-T543 VanDerWaalsContact C-N 3.26Å; G541-G544 WeakPolarHBondContact CA-O 3.45Å; G541-G544 PolarHBondContact N-O 2.92Å |
| 542 | E | 83.5 | Confident | 84.3 | Confident | 129 Ų | 129 | 22.7 Ų | 22.7 | 60% | 0.603 | 13% | 0.127 | S | C | * | . | S | Bend | trans | -69.1 | -29.3 | 169.3 | -63.5 | -173.9 | 167.6 | 0 | 0 | 111.7 | I500 H501 | I500-E542 PolarHBondContact O-N 2.74Å; H501-E542 HydrophobicContact CB-CB 4.07Å; H501-E542 HydrophobicContact CB-CG 4.32Å; H501-E542 PolarHBondContact O-N 2.89Å |
| 543 | T | 82.5 | Confident | 83.7 | Confident | 35 Ų | 35 | 22.7 Ų | 22.7 | 22% | 0.215 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -79.2 | -21.2 | 179.3 | 57.9 | 0 | 0 | 0 | 0 | 112.8 | M73 K82 I500 G541 Y546 | M73-T543 WeakPolarHBondContact CE-O 3.22Å; K82-T543 WeakPolarHBondContact CE-O 3.07Å; K82-T543 PolarHBondContact NZ-O 3.48Å; I500-T543 PolarHBondContact O-OG1 2.96Å; G541-T543 VanDerWaalsContact C-N 3.26Å; T543-Y546 VanDerWaalsContact OG1-CE2 3.29Å; T543-Y546 WeakPolarHBondContact OG1-CE2 3.41Å; T543-Y546 PolarHBondContact OG1-OH 2.98Å; T543-Y546 VanDerWaalsContact OG1-OH 3.1Å |
| 544 | G | 86.2 | Confident | 83.4 | Confident | 10 Ų | 10 | 23.3 Ų | 23.3 | 10% | 0.103 | 13% | 0.126 | C | C | . | . | trans | 152.9 | -160.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G541 | G541-G544 WeakPolarHBondContact CA-O 3.45Å; G541-G544 PolarHBondContact N-O 2.92Å | ||
| 545 | L | 89.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 124.9 | -178.3 | -169.7 | 70.5 | 0 | 0 | 0 | 109.7 | L74 V77 S78 V96 V102 I104 L538 L540 | L74-L545 HydrophobicContact CB-CB 4.46Å; L74-L545 HydrophobicContact CB-CD2 4.5Å; L74-L545 HydrophobicContact CD1-CD2 3.81Å; L74-L545 HydrophobicContact CD1-CG 4.26Å; L74-L545 PolarHBondContact N-O 2.94Å; V77-L545 HydrophobicContact CB-CD2 4.37Å; V77-L545 HydrophobicContact CG1-CD2 3.73Å; S78-L545 PolarHBondContact OG-N 3.09Å; S78-L545 PolarHBondContact OG-O 2.84Å; V96-L545 HydrophobicContact CG2-CD1 4.28Å; V102-L545 HydrophobicContact CG1-CD2 3.86Å; I104-L545 HydrophobicContact CD1-CD2 4.13Å; L538-L545 HydrophobicContact CD1-CD1 4.22Å; L538-L545 HydrophobicContact CD1-CD2 4.15Å; L538-L545 HydrophobicContact CD1-CG 3.9Å; L538-L545 HydrophobicContact CD2-CD1 3.96Å; L538-L545 HydrophobicContact CD2-CD2 4.14Å; L538-L545 HydrophobicContact CD2-CG 4.3Å; L538-L545 HydrophobicContact CG-CD1 3.83Å; L538-L545 HydrophobicContact CG-CD2 4.41Å; L538-L545 HydrophobicContact CG-CG 4.09Å; L540-L545 HydrophobicContact CB-CD1 4.23Å; L540-L545 HydrophobicContact CD1-CD1 4.01Å |
| 546 | Y | 90.1 | Very high | 83.5 | Confident | 29 Ų | 29 | 23.4 Ų | 23.4 | 11% | 0.114 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 139.9 | -175.8 | -67.5 | -98.3 | 0 | 0 | 0 | 110.9 | A72 M73 I500 L538 I539 T543 | A72-Y546 CarbonylContact O-C 3.45Å; A72-Y546 WeakPolarHBondContact O-CA 3.28Å; M73-Y546 HydrophobicContact CB-CD1 3.95Å; M73-Y546 HydrophobicContact CB-CE1 3.76Å; M73-Y546 HydrophobicContact CG-CD1 4.34Å; M73-Y546 HydrophobicContact CG-CE1 3.99Å; M73-Y546 HydrophobicContact SD-CE1 4.41Å; I500-Y546 HydrophobicContact CB-CD2 4.22Å; I500-Y546 HydrophobicContact CB-CE2 4.17Å; I500-Y546 HydrophobicContact CD1-CD1 4.07Å; I500-Y546 HydrophobicContact CD1-CD2 3.98Å; I500-Y546 HydrophobicContact CD1-CG 3.73Å; I500-Y546 HydrophobicContact CG1-CD1 4.21Å; I500-Y546 HydrophobicContact CG1-CD2 3.91Å; I500-Y546 HydrophobicContact CG1-CE1 4.24Å; I500-Y546 HydrophobicContact CG1-CE2 3.97Å; I500-Y546 HydrophobicContact CG1-CG 4.04Å; I500-Y546 HydrophobicContact CG2-CD2 3.45Å; I500-Y546 VanDerWaalsContact CG2-CD2 3.45Å; I500-Y546 HydrophobicContact CG2-CE2 3.65Å; I500-Y546 HydrophobicContact CG2-CG 4.28Å; L538-Y546 CarbonylContact C-O 3.56Å; L538-Y546 WeakPolarHBondContact CA-O 3.39Å; I539-Y546 PolarHBondContact N-O 3.09Å; I539-Y546 PolarHBondContact O-N 3.15Å; T543-Y546 VanDerWaalsContact OG1-CE2 3.29Å; T543-Y546 WeakPolarHBondContact OG1-CE2 3.41Å; T543-Y546 PolarHBondContact OG1-OH 2.98Å; T543-Y546 VanDerWaalsContact OG1-OH 3.1Å |
| 547 | L | 87.4 | Confident | 83.4 | Confident | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.9 | 172.4 | -173.9 | 70.7 | 0 | 0 | 0 | 109.1 | I33 I37 K71 A72 L74 Q536 L538 | I33-L547 HydrophobicContact CG2-CD2 3.79Å; I37-L547 HydrophobicContact CD1-CD2 3.92Å; I37-L547 HydrophobicContact CG1-CD2 3.49Å; I37-L547 VanDerWaalsContact CG1-CD2 3.49Å; K71-L547 WeakPolarHBondContact CA-O 3.3Å; A72-L547 PolarHBondContact N-O 2.96Å; A72-L547 PolarHBondContact O-N 3.09Å; L74-L547 HydrophobicContact CD2-CB 4Å; L74-L547 HydrophobicContact CD2-CD2 4.5Å; L74-L547 HydrophobicContact CG-CB 4.43Å; Q536-L547 HydrophobicContact CB-CD1 4.1Å; L538-L547 HydrophobicContact CD1-CB 4.45Å; L538-L547 HydrophobicContact CD1-CD1 4.07Å |
| 548 | I | 87.3 | Confident | 83 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 127.2 | 173.7 | -61.8 | -174.3 | 0 | 0 | 0 | 107 | I69 R70 K71 L481 I497 Q536 L537 I539 | I69-I548 HydrophobicContact CG2-CG2 3.3Å; R70-I548 WeakPolarHBondContact O-CA 3.29Å; K71-I548 HydrophobicContact CB-CG1 4.4Å; K71-I548 HydrophobicContact CG-CG1 4.28Å; L481-I548 HydrophobicContact CD1-CD1 3.53Å; L481-I548 HydrophobicContact CD1-CG2 4.42Å; I497-I548 HydrophobicContact CG2-CD1 4.17Å; Q536-I548 CarbonylContact C-O 3.6Å; Q536-I548 WeakPolarHBondContact CA-O 3.5Å; L537-I548 HydrophobicContact CB-CB 4.21Å; L537-I548 PolarHBondContact N-O 2.86Å; L537-I548 PolarHBondContact O-N 3.32Å; I539-I548 HydrophobicContact CD1-CD1 3.53Å; I539-I548 HydrophobicContact CD1-CG1 4.39Å; I539-I548 HydrophobicContact CG1-CD1 4.46Å |
| 549 | A | 83.2 | Confident | 82.4 | Confident | 3 Ų | 3 | 27 Ų | 27 | 3% | 0.025 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 153.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | R70 Q536 | R70-A549 HydrophobicContact CG-CB 4.16Å; R70-A549 WeakPolarHBondContact CG-O 3.33Å; R70-A549 PolarHBondContact N-O 3.11Å; R70-A549 PolarHBondContact O-N 2.72Å; Q536-A549 HydrophobicContact CG-CB 4.19Å |
| 550 | L | 79.9 | Confident | 81.8 | Confident | 18 Ų | 18 | 27 Ų | 27 | 9% | 0.094 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 138.9 | 168.7 | -66.8 | 166.2 | 0 | 0 | 0 | 110.3 | F68 I467 L483 S535 | F68-L550 CarbonylContact O-C 3.57Å; F68-L550 WeakPolarHBondContact O-CA 3.38Å; I467-L550 HydrophobicContact CB-CD1 4.31Å; I467-L550 HydrophobicContact CD1-CD1 4.06Å; I467-L550 HydrophobicContact CD1-CD2 4.31Å; I467-L550 HydrophobicContact CD1-CG 3.7Å; I467-L550 HydrophobicContact CG1-CD1 3.71Å; I467-L550 HydrophobicContact CG1-CG 3.94Å; I467-L550 HydrophobicContact CG2-CD1 3.83Å; I467-L550 HydrophobicContact CG2-CD2 4.44Å; I467-L550 HydrophobicContact CG2-CG 4.34Å; L483-L550 HydrophobicContact CD1-CD2 3.93Å; L483-L550 HydrophobicContact CD2-CD2 3.83Å; S535-L550 PolarHBondContact O-N 2.77Å |
| 551 | R | 76.1 | Confident | 81.1 | Confident | 51 Ų | 51 | 26.9 Ų | 26.9 | 19% | 0.192 | 13% | 0.134 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 144 | 165.8 | -63.4 | -164.5 | -167.6 | -91 | -0.5 | 109.5 | V67 F68 R70 E555 | V67-R551 VanDerWaalsContact O-CD 3.27Å; V67-R551 WeakPolarHBondContact O-CD 3.16Å; F68-R551 PolarHBondContact O-N 3.03Å; R70-R551 HydrophobicContact CB-CG 4.32Å; R70-R551 HydrophobicContact CG-CG 4.4Å; R551-E555 WeakPolarHBondContact CA-OE2 3.49Å; R551-E555 HydrophobicContact CB-CB 4.1Å |
| 552 | T | 71.4 | Confident | 80.6 | Confident | 42 Ų | 42 | 35.2 Ų | 35.2 | 26% | 0.258 | 16% | 0.164 | S | C | . | . | P | Polyproline II helix | trans | -69.9 | 165.1 | 167.3 | 52.8 | 0 | 0 | 0 | 0 | 110.3 | N554 E555 S556 | T552-N554 VanDerWaalsContact C-N 3.34Å; T552-N554 WeakPolarHBondContact CB-OD1 3.47Å; T552-N554 PolarHBondContact O-N 3.04Å; T552-N554 PolarHBondContact OG1-OD1 3.39Å; T552-E555 PolarHBondContact N-OE2 2.95Å; T552-E555 PolarHBondContact O-N 2.85Å; T552-E555 VanDerWaalsContact OG1-CB 3.3Å; T552-E555 WeakPolarHBondContact OG1-CB 3.36Å; T552-E555 WeakPolarHBondContact OG1-CG 3.04Å; T552-E555 PolarHBondContact OG1-N 2.95Å; T552-E555 PolarHBondContact OG1-OE1 2.94Å; T552-S556 WeakPolarHBondContact O-CB 3.43Å; T552-S556 PolarHBondContact O-N 3.44Å; T552-S556 PolarHBondContact O-OG 2.82Å |
| 553 | W | 72.4 | Confident | 80.2 | Confident | 34 Ų | 34 | 35 Ų | 35 | 13% | 0.129 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.2 | -37.8 | -177.6 | 74 | -89.7 | 0 | 0 | 0 | 111.9 | S556 V557 A576 L605 I609 I612 | W553-S556 WeakPolarHBondContact O-CB 3.4Å; W553-S556 PolarHBondContact O-N 3.21Å; W553-V557 HydrophobicContact CE3-CG2 4.11Å; W553-V557 HydrophobicContact CZ3-CG2 4.39Å; W553-V557 VanDerWaalsContact O-CG2 3.3Å; W553-V557 WeakPolarHBondContact O-CG2 3.45Å; W553-V557 PolarHBondContact O-N 2.86Å; W553-A576 HydrophobicContact CD2-CB 4.37Å; W553-A576 HydrophobicContact CE3-CB 4.15Å; W553-L605 HydrophobicContact CH2-CD1 3.8Å; W553-L605 HydrophobicContact CZ2-CD1 3.28Å; W553-I609 HydrophobicContact CH2-CD1 4.43Å; W553-I609 HydrophobicContact CH2-CG1 3.79Å; W553-I609 HydrophobicContact CZ3-CG1 4.23Å; W553-I612 HydrophobicContact CH2-CD1 4.2Å; W553-I612 HydrophobicContact CZ3-CD1 4.28Å |
| 554 | N | 74.1 | Confident | 79.8 | Confident | 52 Ų | 52 | 41.5 Ų | 41.5 | 28% | 0.278 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -69.2 | -42.6 | 176.8 | 59.7 | -29.5 | 0 | 0 | 0 | 110.9 | T552 S556 V557 I558 I612 | T552-N554 VanDerWaalsContact C-N 3.34Å; T552-N554 WeakPolarHBondContact CB-OD1 3.47Å; T552-N554 PolarHBondContact O-N 3.04Å; T552-N554 PolarHBondContact OG1-OD1 3.39Å; N554-S556 VanDerWaalsContact C-N 3.29Å; N554-S556 PolarHBondContact O-N 3.33Å; N554-V557 PolarHBondContact O-N 2.86Å; N554-I558 WeakPolarHBondContact O-CB 3.46Å; N554-I558 VanDerWaalsContact O-CG1 3.23Å; N554-I558 WeakPolarHBondContact O-CG1 3.39Å; N554-I558 PolarHBondContact O-N 2.74Å; N554-I612 HydrophobicContact CB-CD1 4.49Å |
| 555 | E | 75.1 | Confident | 79.4 | Confident | 56 Ų | 56 | 43.9 Ų | 43.9 | 26% | 0.262 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.1 | -41.9 | 171.1 | -77.9 | 164.7 | -138.7 | 0 | 0 | 111.6 | R70 R551 T552 I558 F559 | R70-E555 IonicContact CZ-OE2 3.98Å; R551-E555 WeakPolarHBondContact CA-OE2 3.49Å; R551-E555 HydrophobicContact CB-CB 4.1Å; T552-E555 PolarHBondContact N-OE2 2.95Å; T552-E555 PolarHBondContact O-N 2.85Å; T552-E555 VanDerWaalsContact OG1-CB 3.3Å; T552-E555 WeakPolarHBondContact OG1-CB 3.36Å; T552-E555 WeakPolarHBondContact OG1-CG 3.04Å; T552-E555 PolarHBondContact OG1-N 2.95Å; T552-E555 PolarHBondContact OG1-OE1 2.94Å; E555-I558 PolarHBondContact O-N 2.91Å; E555-F559 WeakPolarHBondContact O-CB 3.25Å; E555-F559 PolarHBondContact O-N 3.24Å |
| 556 | S | 79.1 | Confident | 78.8 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 178.1 | -56 | 0 | 0 | 0 | 0 | 111.2 | T552 W553 N554 F559 L560 | T552-S556 WeakPolarHBondContact O-CB 3.43Å; T552-S556 PolarHBondContact O-N 3.44Å; T552-S556 PolarHBondContact O-OG 2.82Å; W553-S556 WeakPolarHBondContact O-CB 3.4Å; W553-S556 PolarHBondContact O-N 3.21Å; N554-S556 VanDerWaalsContact C-N 3.29Å; N554-S556 PolarHBondContact O-N 3.33Å; S556-F559 PolarHBondContact O-N 3.05Å; S556-L560 WeakPolarHBondContact O-CB 3.26Å; S556-L560 VanDerWaalsContact O-CG 3.23Å; S556-L560 WeakPolarHBondContact O-CG 3.12Å; S556-L560 PolarHBondContact O-N 2.8Å |
| 557 | V | 79.8 | Confident | 78.2 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.6 | -51.6 | 175.8 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | W553 N554 F559 L560 L561 M573 I612 | W553-V557 HydrophobicContact CE3-CG2 4.11Å; W553-V557 HydrophobicContact CZ3-CG2 4.39Å; W553-V557 VanDerWaalsContact O-CG2 3.3Å; W553-V557 WeakPolarHBondContact O-CG2 3.45Å; W553-V557 PolarHBondContact O-N 2.86Å; N554-V557 PolarHBondContact O-N 2.86Å; V557-F559 VanDerWaalsContact C-N 3.28Å; V557-F559 PolarHBondContact O-N 3.09Å; V557-L560 PolarHBondContact O-N 3.17Å; V557-L560 VanDerWaalsContact O-N 3.15Å; V557-L561 HydrophobicContact CG1-CD1 3.75Å; V557-L561 HydrophobicContact CG1-CG 4.15Å; V557-L561 VanDerWaalsContact O-CG 3.26Å; V557-L561 WeakPolarHBondContact O-CG 3.44Å; V557-L561 PolarHBondContact O-N 2.9Å; V557-M573 HydrophobicContact CG1-CE 3.85Å; V557-M573 HydrophobicContact CG1-CG 3.8Å; V557-M573 HydrophobicContact CG1-SD 4.13Å; V557-M573 HydrophobicContact CG2-CG 3.94Å; V557-I612 HydrophobicContact CG1-CG2 4.02Å |
| 558 | I | 79.7 | Confident | 77.7 | Confident | 41 Ų | 41 | 47.2 Ų | 47.2 | 21% | 0.21 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.8 | -41.5 | 179.5 | -67.5 | 165.3 | 0 | 0 | 0 | 110.4 | N554 E555 L560 L561 R562 | N554-I558 WeakPolarHBondContact O-CB 3.46Å; N554-I558 VanDerWaalsContact O-CG1 3.23Å; N554-I558 WeakPolarHBondContact O-CG1 3.39Å; N554-I558 PolarHBondContact O-N 2.74Å; E555-I558 PolarHBondContact O-N 2.91Å; I558-L560 PolarHBondContact O-N 3.32Å; I558-L561 PolarHBondContact O-N 2.76Å; I558-R562 HydrophobicContact CG2-CG 4.43Å; I558-R562 WeakPolarHBondContact O-CB 3.47Å; I558-R562 VanDerWaalsContact O-CG 3.31Å; I558-R562 WeakPolarHBondContact O-CG 3.48Å; I558-R562 PolarHBondContact O-N 3.31Å |
| 559 | F | 79 | Confident | 77.5 | Confident | 51 Ų | 51 | 47.2 Ų | 47.2 | 22% | 0.224 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.8 | -45.6 | 175.8 | 177.8 | -100.7 | 0 | 0 | 0 | 112 | Q66 E555 S556 V557 R562 R563 | Q66-F559 WeakPolarHBondContact O-CE1 2.97Å; Q66-F559 WeakPolarHBondContact O-CZ 3.42Å; E555-F559 WeakPolarHBondContact O-CB 3.25Å; E555-F559 PolarHBondContact O-N 3.24Å; S556-F559 PolarHBondContact O-N 3.05Å; V557-F559 VanDerWaalsContact C-N 3.28Å; V557-F559 PolarHBondContact O-N 3.09Å; F559-R562 PolarHBondContact O-N 2.85Å; F559-R563 WeakPolarHBondContact O-CG 3.37Å; F559-R563 PolarHBondContact O-N 2.76Å |
| 560 | L | 79.2 | Confident | 77.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.6 | -42.6 | 176.3 | -71.8 | 168.6 | 0 | 0 | 0 | 112.5 | V67 S556 V557 I558 R562 R563 K564 E565 L568 Y572 | V67-L560 HydrophobicContact CG1-CD1 3.98Å; V67-L560 HydrophobicContact CG1-CD2 4.17Å; V67-L560 HydrophobicContact CG1-CG 4.03Å; V67-L560 HydrophobicContact CG2-CD2 3.68Å; V67-L560 HydrophobicContact CG2-CG 4.43Å; S556-L560 WeakPolarHBondContact O-CB 3.26Å; S556-L560 VanDerWaalsContact O-CG 3.23Å; S556-L560 WeakPolarHBondContact O-CG 3.12Å; S556-L560 PolarHBondContact O-N 2.8Å; V557-L560 PolarHBondContact O-N 3.17Å; V557-L560 VanDerWaalsContact O-N 3.15Å; I558-L560 PolarHBondContact O-N 3.32Å; L560-R562 VanDerWaalsContact C-N 3.35Å; L560-R562 PolarHBondContact O-N 2.78Å; L560-R563 CarbonylContact O-C 3.57Å; L560-R563 PolarHBondContact O-N 2.79Å; L560-R563 VanDerWaalsContact O-N 3.15Å; L560-K564 PolarHBondContact O-N 2.82Å; L560-E565 HydrophobicContact CD2-CB 4.33Å; L560-E565 WeakPolarHBondContact CD2-OE2 3.15Å; L560-E565 PolarHBondContact O-N 3.49Å; L560-L568 HydrophobicContact CD1-CB 4.29Å; L560-L568 HydrophobicContact CD1-CD2 3.83Å; L560-L568 HydrophobicContact CD1-CG 4.32Å; L560-L568 HydrophobicContact CD2-CD2 3.58Å; L560-L568 HydrophobicContact CG-CD2 4.35Å; L560-Y572 HydrophobicContact CD1-CD2 3.37Å; L560-Y572 HydrophobicContact CD1-CE2 3.55Å; L560-Y572 HydrophobicContact CD1-CG 4.39Å |
| 561 | L | 77.5 | Confident | 77.5 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 178.3 | -67.5 | 177.4 | 0 | 0 | 0 | 111.2 | V557 I558 R563 K564 L566 M573 I612 E616 V617 | V557-L561 HydrophobicContact CG1-CD1 3.75Å; V557-L561 HydrophobicContact CG1-CG 4.15Å; V557-L561 VanDerWaalsContact O-CG 3.26Å; V557-L561 WeakPolarHBondContact O-CG 3.44Å; V557-L561 PolarHBondContact O-N 2.9Å; I558-L561 PolarHBondContact O-N 2.76Å; L561-R563 VanDerWaalsContact C-N 3.25Å; L561-R563 PolarHBondContact O-N 2.84Å; L561-K564 WeakPolarHBondContact O-CA 3.19Å; L561-K564 PolarHBondContact O-N 3.38Å; L561-L566 HydrophobicContact CD2-CD2 3.59Å; L561-M573 HydrophobicContact CD1-CE 4.29Å; L561-I612 HydrophobicContact CD1-CG2 3.55Å; L561-E616 HydrophobicContact CB-CB 4.5Å; L561-E616 HydrophobicContact CD1-CB 3.75Å; L561-V617 HydrophobicContact CD1-CG2 3.98Å; L561-V617 HydrophobicContact CD2-CG2 4Å |
| 562 | R | 78.8 | Confident | 77.5 | Confident | 181 Ų | 181 | 47.8 Ų | 47.8 | 68% | 0.683 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -64 | -27.7 | 175 | -73.9 | 177.7 | -179.1 | 172.8 | 2.4 | 113.4 | I558 F559 L560 K564 | I558-R562 HydrophobicContact CG2-CG 4.43Å; I558-R562 WeakPolarHBondContact O-CB 3.47Å; I558-R562 VanDerWaalsContact O-CG 3.31Å; I558-R562 WeakPolarHBondContact O-CG 3.48Å; I558-R562 PolarHBondContact O-N 3.31Å; F559-R562 PolarHBondContact O-N 2.85Å; L560-R562 VanDerWaalsContact C-N 3.35Å; L560-R562 PolarHBondContact O-N 2.78Å; R562-K564 PolarHBondContact O-N 2.83Å |
| 563 | R | 76.6 | Confident | 77.9 | Confident | 125 Ų | 125 | 45.8 Ų | 45.8 | 47% | 0.472 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 5.2 | 172.9 | -66 | -177.1 | 82.1 | -168 | 0.9 | 113.6 | S65 F559 L560 L561 E565 | S65-R563 PolarHBondContact OG-NH1 3.1Å; F559-R563 WeakPolarHBondContact O-CG 3.37Å; F559-R563 PolarHBondContact O-N 2.76Å; L560-R563 CarbonylContact O-C 3.57Å; L560-R563 PolarHBondContact O-N 2.79Å; L560-R563 VanDerWaalsContact O-N 3.15Å; L561-R563 VanDerWaalsContact C-N 3.25Å; L561-R563 PolarHBondContact O-N 2.84Å; R563-E565 PolarHBondContact O-N 2.92Å |
| 564 | K | 74 | Confident | 78.3 | Confident | 171 Ų | 171 | 45.2 Ų | 45.2 | 74% | 0.743 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 18.2 | -175.5 | -53 | -177.9 | 176.6 | -174.6 | 0 | 114.3 | L560 L561 R562 L566 | L560-K564 PolarHBondContact O-N 2.82Å; L561-K564 WeakPolarHBondContact O-CA 3.19Å; L561-K564 PolarHBondContact O-N 3.38Å; R562-K564 PolarHBondContact O-N 2.83Å; K564-L566 VanDerWaalsContact C-N 3.25Å; K564-L566 PolarHBondContact O-N 2.87Å; K564-L566 VanDerWaalsContact O-N 3.07Å |
| 565 | E | 77.5 | Confident | 78.2 | Confident | 60 Ų | 60 | 43 Ų | 43 | 28% | 0.28 | 19% | 0.189 | S | C | . | . | trans | -86.2 | 62.5 | 173.9 | -68.1 | -174.9 | -162.1 | 0 | 0 | 111.1 | L560 R563 Q567 L568 G569 | L560-E565 HydrophobicContact CD2-CB 4.33Å; L560-E565 WeakPolarHBondContact CD2-OE2 3.15Å; L560-E565 PolarHBondContact O-N 3.49Å; R563-E565 PolarHBondContact O-N 2.92Å; E565-Q567 PolarHBondContact O-N 3.07Å; E565-L568 HydrophobicContact CB-CB 4.35Å; E565-L568 PolarHBondContact O-N 3.37Å; E565-G569 PolarHBondContact O-N 3.27Å; E565-G569 VanDerWaalsContact O-N 3.1Å | ||
| 566 | L | 76.6 | Confident | 78 | Confident | 13 Ų | 13 | 40.7 Ų | 40.7 | 7% | 0.068 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.3 | -47.4 | -172.1 | -71 | 176.2 | 0 | 0 | 0 | 113.7 | L561 K564 L568 G569 L570 V620 L621 V637 | L561-L566 HydrophobicContact CD2-CD2 3.59Å; K564-L566 VanDerWaalsContact C-N 3.25Å; K564-L566 PolarHBondContact O-N 2.87Å; K564-L566 VanDerWaalsContact O-N 3.07Å; L566-L568 VanDerWaalsContact C-N 3.32Å; L566-L568 PolarHBondContact O-N 3.26Å; L566-G569 PolarHBondContact O-N 3.08Å; L566-L570 WeakPolarHBondContact O-CG 3.38Å; L566-L570 PolarHBondContact O-N 3.25Å; L566-V620 HydrophobicContact CD1-CB 4.48Å; L566-V620 HydrophobicContact CD1-CG1 3.75Å; L566-V620 HydrophobicContact CD2-CB 3.96Å; L566-V620 HydrophobicContact CD2-CG1 3.79Å; L566-V620 HydrophobicContact CD2-CG2 4.32Å; L566-V620 HydrophobicContact CG-CG1 3.99Å; L566-L621 HydrophobicContact CD1-CD2 4.49Å; L566-V637 HydrophobicContact CB-CG2 4.2Å |
| 567 | Q | 78.7 | Confident | 77.8 | Confident | 46 Ų | 46 | 40.5 Ų | 40.5 | 22% | 0.215 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.4 | -39.8 | -176.5 | -173.3 | 61.3 | 39.8 | 0 | 0 | 111.8 | E565 N571 S636 V637 S640 | E565-Q567 PolarHBondContact O-N 3.07Å; Q567-N571 PolarHBondContact NE2-OD1 3.17Å; Q567-N571 WeakPolarHBondContact O-CB 2.93Å; Q567-N571 PolarHBondContact O-N 3.39Å; Q567-N571 PolarHBondContact O-ND2 3.46Å; Q567-N571 PolarHBondContact O-OD1 2.89Å; Q567-S636 PolarHBondContact OE1-O 3.41Å; Q567-S636 PolarHBondContact OE1-OG 2.79Å; Q567-V637 HydrophobicContact CB-CG2 4.3Å; Q567-V637 VanDerWaalsContact OE1-N 3.11Å; Q567-S640 PolarHBondContact NE2-OG 3.01Å |
| 568 | L | 76.1 | Confident | 77.3 | Confident | 41 Ų | 41 | 44.5 Ų | 44.5 | 22% | 0.215 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.3 | -46.3 | 178 | -147.6 | 87.5 | 0 | 0 | 0 | 109.7 | L62 L560 E565 L566 L570 N571 Y572 | L62-L568 HydrophobicContact CD2-CD1 4Å; L62-L568 HydrophobicContact CD2-CD2 4Å; L560-L568 HydrophobicContact CD1-CB 4.29Å; L560-L568 HydrophobicContact CD1-CD2 3.83Å; L560-L568 HydrophobicContact CD1-CG 4.32Å; L560-L568 HydrophobicContact CD2-CD2 3.58Å; L560-L568 HydrophobicContact CG-CD2 4.35Å; E565-L568 HydrophobicContact CB-CB 4.35Å; E565-L568 PolarHBondContact O-N 3.37Å; L566-L568 VanDerWaalsContact C-N 3.32Å; L566-L568 PolarHBondContact O-N 3.26Å; L568-L570 PolarHBondContact O-N 3.23Å; L568-N571 WeakPolarHBondContact O-CB 3.24Å; L568-N571 PolarHBondContact O-N 3.28Å; L568-Y572 HydrophobicContact CD2-CE2 3.86Å; L568-Y572 HydrophobicContact CG-CD2 4.35Å; L568-Y572 HydrophobicContact CG-CE2 3.96Å; L568-Y572 WeakPolarHBondContact O-CD2 3.15Å; L568-Y572 PolarHBondContact O-N 2.98Å |
| 569 | G | 81.9 | Confident | 76.5 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.9 | -44.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E565 L566 Y572 M573 | E565-G569 PolarHBondContact O-N 3.27Å; E565-G569 VanDerWaalsContact O-N 3.1Å; L566-G569 PolarHBondContact O-N 3.08Å; G569-Y572 PolarHBondContact O-N 3.06Å; G569-M573 PolarHBondContact O-N 2.83Å |
| 570 | L | 83.4 | Confident | 75.8 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.7 | -40.7 | 175.3 | -70.9 | 165.5 | 0 | 0 | 0 | 112.5 | L566 L568 Y572 M573 E574 L613 V637 I641 I644 | L566-L570 WeakPolarHBondContact O-CG 3.38Å; L566-L570 PolarHBondContact O-N 3.25Å; L568-L570 PolarHBondContact O-N 3.23Å; L570-Y572 VanDerWaalsContact C-N 3.29Å; L570-Y572 PolarHBondContact O-N 3.2Å; L570-M573 HydrophobicContact CD2-CE 3.55Å; L570-M573 HydrophobicContact CG-CE 4.14Å; L570-M573 WeakPolarHBondContact O-CB 3.22Å; L570-M573 PolarHBondContact O-N 3.22Å; L570-E574 PolarHBondContact O-N 2.75Å; L570-L613 HydrophobicContact CD2-CD2 3.94Å; L570-V637 HydrophobicContact CD1-CB 4.29Å; L570-V637 HydrophobicContact CD1-CG1 3.76Å; L570-V637 HydrophobicContact CD1-CG2 4.33Å; L570-I641 HydrophobicContact CD1-CD1 4.45Å; L570-I641 HydrophobicContact CD1-CG1 3.98Å; L570-I641 HydrophobicContact CD2-CG1 3.9Å; L570-I644 HydrophobicContact CB-CD1 4.15Å; L570-I644 HydrophobicContact CD2-CD1 3.59Å; L570-I644 HydrophobicContact CG-CD1 4.48Å |
| 571 | N | 80.4 | Confident | 74.6 | Confident | 41 Ų | 41 | 46.7 Ų | 46.7 | 22% | 0.219 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.4 | -37.9 | 175 | -69.1 | -13.4 | 0 | 0 | 0 | 111.8 | L56 Q567 L568 E574 A575 | L56-N571 HydrophobicContact CD2-CB 4.32Å; Q567-N571 PolarHBondContact NE2-OD1 3.17Å; Q567-N571 WeakPolarHBondContact O-CB 2.93Å; Q567-N571 PolarHBondContact O-N 3.39Å; Q567-N571 PolarHBondContact O-ND2 3.46Å; Q567-N571 PolarHBondContact O-OD1 2.89Å; L568-N571 WeakPolarHBondContact O-CB 3.24Å; L568-N571 PolarHBondContact O-N 3.28Å; N571-E574 PolarHBondContact O-N 3.25Å; N571-A575 VanDerWaalsContact O-CB 3.32Å; N571-A575 WeakPolarHBondContact O-CB 3.16Å; N571-A575 PolarHBondContact O-N 2.77Å |
| 572 | Y | 75.5 | Confident | 73.3 | Confident | 43 Ų | 43 | 50.4 Ų | 50.4 | 17% | 0.169 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.2 | -40.8 | 173.8 | -83.8 | -76.2 | 0 | 0 | 0 | 112.3 | F68 L560 L568 G569 L570 A575 A576 | F68-Y572 AromaticContact CE1-CE1 3.8Å; F68-Y572 HydrophobicContact CE1-CE1 3.8Å; F68-Y572 AromaticContact CE1-CZ 3.99Å; F68-Y572 HydrophobicContact CZ-CE1 4.05Å; F68-Y572 AromaticContact CZ-CZ 3.87Å; F68-Y572 WeakPolarHBondContact CZ-OH 3.21Å; L560-Y572 HydrophobicContact CD1-CD2 3.37Å; L560-Y572 HydrophobicContact CD1-CE2 3.55Å; L560-Y572 HydrophobicContact CD1-CG 4.39Å; L568-Y572 HydrophobicContact CD2-CE2 3.86Å; L568-Y572 HydrophobicContact CG-CD2 4.35Å; L568-Y572 HydrophobicContact CG-CE2 3.96Å; L568-Y572 WeakPolarHBondContact O-CD2 3.15Å; L568-Y572 PolarHBondContact O-N 2.98Å; G569-Y572 PolarHBondContact O-N 3.06Å; L570-Y572 VanDerWaalsContact C-N 3.29Å; L570-Y572 PolarHBondContact O-N 3.2Å; Y572-A575 PolarHBondContact O-N 3.42Å; Y572-A576 PolarHBondContact O-N 3.26Å |
| 573 | M | 81.4 | Confident | 71.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.4 | -44 | 173.3 | -71.7 | -170.6 | -99.9 | 0 | 0 | 111.9 | V557 L561 G569 L570 A575 A576 L577 I609 I612 L613 V617 I644 | V557-M573 HydrophobicContact CG1-CE 3.85Å; V557-M573 HydrophobicContact CG1-CG 3.8Å; V557-M573 HydrophobicContact CG1-SD 4.13Å; V557-M573 HydrophobicContact CG2-CG 3.94Å; L561-M573 HydrophobicContact CD1-CE 4.29Å; G569-M573 PolarHBondContact O-N 2.83Å; L570-M573 HydrophobicContact CD2-CE 3.55Å; L570-M573 HydrophobicContact CG-CE 4.14Å; L570-M573 WeakPolarHBondContact O-CB 3.22Å; L570-M573 PolarHBondContact O-N 3.22Å; M573-A575 PolarHBondContact O-N 3.44Å; M573-A576 PolarHBondContact O-N 2.94Å; M573-L577 PolarHBondContact O-N 2.86Å; M573-I609 HydrophobicContact SD-CG2 3.91Å; M573-I612 HydrophobicContact CE-CG2 4.08Å; M573-I612 HydrophobicContact SD-CB 4.46Å; M573-I612 HydrophobicContact SD-CG2 3.92Å; M573-L613 HydrophobicContact CE-CD2 4.41Å; M573-V617 HydrophobicContact CE-CG2 4.09Å; M573-I644 HydrophobicContact CB-CD1 4.02Å |
| 574 | E | 79 | Confident | 70.4 | Confident | 22 Ų | 22 | 44.9 Ų | 44.9 | 10% | 0.103 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 176.2 | -163.1 | -164.7 | 121.2 | 0 | 0 | 111.1 | L570 N571 A576 L577 K578 R643 I644 M647 | L570-E574 PolarHBondContact O-N 2.75Å; N571-E574 PolarHBondContact O-N 3.25Å; E574-A576 VanDerWaalsContact C-N 3.3Å; E574-A576 PolarHBondContact O-N 3.37Å; E574-L577 PolarHBondContact O-N 2.89Å; E574-L577 VanDerWaalsContact O-N 3.12Å; E574-K578 PolarHBondContact O-N 3.47Å; E574-K578 VanDerWaalsContact O-N 3.12Å; E574-K578 WeakPolarHBondContact OE1-CE 3.47Å; E574-K578 IonicContact OE1-NZ 3.92Å; E574-K578 PolarHBondContact OE1-NZ 2.94Å; E574-R643 IonicContact OE2-NH1 3.85Å; E574-R643 PolarHBondContact OE2-NH1 3.3Å; E574-I644 HydrophobicContact CB-CG1 4.31Å; E574-M647 HydrophobicContact CG-SD 4.01Å |
| 575 | A | 72 | Confident | 68.7 | Low | 7 Ų | 7 | 44.9 Ų | 44.9 | 6% | 0.058 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.7 | -35.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | C51 N571 Y572 M573 L577 P579 | C51-A575 HydrophobicContact CB-CB 4.07Å; C51-A575 PolarHBondContact SG-O 3.49Å; N571-A575 VanDerWaalsContact O-CB 3.32Å; N571-A575 WeakPolarHBondContact O-CB 3.16Å; N571-A575 PolarHBondContact O-N 2.77Å; Y572-A575 PolarHBondContact O-N 3.42Å; M573-A575 PolarHBondContact O-N 3.44Å; A575-L577 VanDerWaalsContact C-N 3.27Å; A575-L577 PolarHBondContact O-N 2.99Å; A575-P579 WeakPolarHBondContact O-CD 3.01Å |
| 576 | A | 71.6 | Confident | 66.5 | Low | 6 Ų | 6 | 47.2 Ų | 47.2 | 5% | 0.05 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.1 | -29.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | C51 W553 Y572 M573 E574 P579 | C51-A576 PolarHBondContact SG-N 3.47Å; W553-A576 HydrophobicContact CD2-CB 4.37Å; W553-A576 HydrophobicContact CE3-CB 4.15Å; Y572-A576 PolarHBondContact O-N 3.26Å; M573-A576 PolarHBondContact O-N 2.94Å; E574-A576 VanDerWaalsContact C-N 3.3Å; E574-A576 PolarHBondContact O-N 3.37Å; A576-P579 WeakPolarHBondContact O-CD 3.48Å |
| 577 | L | 74.7 | Confident | 64.3 | Low | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -84.8 | -28.7 | -180 | -72.3 | 168.7 | 0 | 0 | 0 | 114.2 | M573 E574 A575 P579 L580 L605 Y606 I609 I644 M647 I648 | M573-L577 PolarHBondContact O-N 2.86Å; E574-L577 PolarHBondContact O-N 2.89Å; E574-L577 VanDerWaalsContact O-N 3.12Å; A575-L577 VanDerWaalsContact C-N 3.27Å; A575-L577 PolarHBondContact O-N 2.99Å; L577-P579 VanDerWaalsContact C-CD 3.43Å; L577-L580 PolarHBondContact O-N 3.43Å; L577-L580 VanDerWaalsContact O-N 3.13Å; L577-L605 HydrophobicContact CD2-CD2 4.09Å; L577-Y606 HydrophobicContact CD2-CD1 3.83Å; L577-Y606 HydrophobicContact CD2-CE1 3.62Å; L577-I609 HydrophobicContact CD1-CD1 3.77Å; L577-I609 HydrophobicContact CD2-CD1 3.62Å; L577-I609 HydrophobicContact CG-CD1 3.54Å; L577-I644 HydrophobicContact CD1-CG2 4.06Å; L577-M647 HydrophobicContact CB-CE 3.4Å; L577-M647 HydrophobicContact CB-SD 4.04Å; L577-M647 HydrophobicContact CD1-CB 4.03Å; L577-M647 HydrophobicContact CD1-SD 4.32Å; L577-I648 HydrophobicContact CD1-CD1 4.47Å; L577-I648 HydrophobicContact CD1-CG1 4.13Å |
| 578 | K | 70.6 | Confident | 61.7 | Low | 84 Ų | 84 | 57.6 Ų | 57.6 | 37% | 0.365 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -54.2 | -39.2 | -178 | -80.9 | 175.4 | -177.7 | 165.7 | 0 | 115.9 | E574 L580 T581 T582 M647 | E574-K578 PolarHBondContact O-N 3.47Å; E574-K578 VanDerWaalsContact O-N 3.12Å; E574-K578 WeakPolarHBondContact OE1-CE 3.47Å; E574-K578 IonicContact OE1-NZ 3.92Å; E574-K578 PolarHBondContact OE1-NZ 2.94Å; K578-L580 PolarHBondContact O-N 3.47Å; K578-T581 PolarHBondContact O-N 2.83Å; K578-T581 PolarHBondContact O-OG1 3.14Å; K578-T582 PolarHBondContact O-N 3.33Å; K578-T582 PolarHBondContact O-OG1 3.35Å; K578-M647 HydrophobicContact CG-CE 4.31Å |
| 579 | P | 62.5 | Low | 59.2 | Low | 28 Ų | 28 | 60.5 Ų | 60.5 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.1 | -19.8 | -179.8 | -19.4 | 31.6 | 0 | 0 | 0 | 113.6 | R49 A575 A576 L577 T582 V583 | R49-P579 VanDerWaalsContact CD-CB 3.47Å; R49-P579 PolarHBondContact NH1-O 3.26Å; A575-P579 WeakPolarHBondContact O-CD 3.01Å; A576-P579 WeakPolarHBondContact O-CD 3.48Å; L577-P579 VanDerWaalsContact C-CD 3.43Å; P579-T582 PolarHBondContact O-OG1 3.29Å; P579-V583 WeakPolarHBondContact O-CG2 3.34Å |
| 580 | L | 63.4 | Low | 56.6 | Low | 45 Ų | 45 | 71.5 Ų | 71.5 | 24% | 0.236 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -83.9 | -28.7 | 178.3 | -66.5 | 169.3 | 0 | 0 | 0 | 112.2 | L577 K578 E602 L605 | L577-L580 PolarHBondContact O-N 3.43Å; L577-L580 VanDerWaalsContact O-N 3.13Å; K578-L580 PolarHBondContact O-N 3.47Å; L580-E602 HydrophobicContact CD1-CG 4.32Å; L580-E602 HydrophobicContact CD2-CG 3.99Å; L580-L605 HydrophobicContact CD1-CD2 3.44Å; L580-L605 VanDerWaalsContact CD1-CD2 3.44Å |
| 581 | T | 55.3 | Low | 53.8 | Low | 64 Ų | 64 | 76.7 Ų | 76.7 | 39% | 0.393 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -78.2 | -29.3 | 179 | 57.3 | 0 | 0 | 0 | 0 | 112.8 | K578 M647 | K578-T581 PolarHBondContact O-N 2.83Å; K578-T581 PolarHBondContact O-OG1 3.14Å; T581-M647 HydrophobicContact CG2-CE 3.77Å |
| 582 | T | 48.8 | Very low | 51.1 | Low | 80 Ų | 80 | 79.9 Ų | 79.9 | 49% | 0.491 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -77.9 | -30.7 | -178 | 41.7 | 0 | 0 | 0 | 0 | 114.1 | K578 P579 K584 Q585 | K578-T582 PolarHBondContact O-N 3.33Å; K578-T582 PolarHBondContact O-OG1 3.35Å; P579-T582 PolarHBondContact O-OG1 3.29Å; T582-K584 PolarHBondContact O-N 3.22Å; T582-Q585 PolarHBondContact O-N 2.85Å |
| 583 | V | 49.2 | Very low | 48.7 | Very low | 66 Ų | 66 | 85.1 Ų | 85.1 | 40% | 0.4 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -68 | -22.9 | -178.6 | 174.2 | 0 | 0 | 0 | 0 | 112.5 | P579 Q585 | P579-V583 WeakPolarHBondContact O-CG2 3.34Å; V583-Q585 PolarHBondContact O-N 3.34Å |
| 584 | K | 45 | Very low | 46.2 | Very low | 124 Ų | 124 | 94.3 Ų | 94.3 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -80 | -11.2 | 179.6 | -70.7 | 179 | -177.5 | 168.1 | 0 | 114.2 | T582 E602 | T582-K584 PolarHBondContact O-N 3.22Å; K584-E602 WeakPolarHBondContact CE-OE1 3.46Å; K584-E602 IonicContact NZ-OE1 2.94Å; K584-E602 PolarHBondContact NZ-OE1 3.45Å; K584-E602 VanDerWaalsContact NZ-OE1 3.09Å; K584-E602 IonicContact NZ-OE2 3.38Å; K584-E602 PolarHBondContact NZ-OE2 3.16Å |
| 585 | Q | 39.6 | Very low | 43.9 | Very low | 171 Ų | 171 | 99.2 Ų | 99.2 | 80% | 0.799 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -97.7 | -10.9 | -176.6 | -72.8 | -176.1 | -15.7 | 0 | 0 | 115.2 | T582 V583 | T582-Q585 PolarHBondContact O-N 2.85Å; V583-Q585 PolarHBondContact O-N 3.34Å |
| 586 | T | 31.1 | Very low | 42.3 | Very low | 109 Ų | 109 | 105.7 Ų | 105.7 | 67% | 0.669 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -111.4 | 2.2 | -171.9 | 45.2 | 0 | 0 | 0 | 0 | 115.9 | V588 | T586-V588 PolarHBondContact O-N 2.81Š|
| 587 | N | 29.4 | Very low | 40.7 | Very low | 144 Ų | 144 | 110 Ų | 110 | 77% | 0.77 | 60% | 0.596 | S | S | * | * | trans | -99.5 | 78 | 176.2 | -76.8 | -15.9 | 0 | 0 | 0 | 112.3 | ||||
| 588 | V | 25.8 | Very low | 39.3 | Very low | 132 Ų | 132 | 115.6 Ų | 115.6 | 80% | 0.8 | 63% | 0.626 | S | S | * | * | trans | -113.8 | 119.5 | 151 | 178.9 | 0 | 0 | 0 | 0 | 106.6 | T586 | T586-V588 PolarHBondContact O-N 2.81Š| ||
| 589 | S | 22.1 | Very low | 38.1 | Very low | 102 Ų | 102 | 116.8 Ų | 116.8 | 71% | 0.713 | 64% | 0.637 | S | S | * | * | S | Bend | trans | 81 | 86.7 | 177.4 | 70.7 | 0 | 0 | 0 | 0 | 118.4 | ||
| 590 | Y | 28.3 | Very low | 37.4 | Very low | 232 Ų | 232 | 119.7 Ų | 119.7 | 91% | 0.91 | 66% | 0.657 | S | S | * | * | -179.1 | 130.8 | 106.3 | -98.3 | -78.7 | 0 | 0 | 0 | 108.9 | |||||
| 591 | S | 23.2 | Very low | 37.1 | Very low | 108 Ų | 108 | 122.3 Ų | 122.3 | 76% | 0.755 | 67% | 0.671 | S | S | * | * | trans | -78.7 | 131.4 | -175 | 51.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 592 | S | 24.6 | Very low | 37.6 | Very low | 108 Ų | 108 | 120.5 Ų | 120.5 | 76% | 0.755 | 66% | 0.658 | S | S | * | * | 173.9 | 113.8 | 115.6 | 57.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 593 | N | 24.8 | Very low | 38.5 | Very low | 153 Ų | 153 | 119.5 Ų | 119.5 | 82% | 0.818 | 65% | 0.654 | S | S | * | * | trans | 43.2 | 85.7 | 146 | -60.3 | -9.7 | 0 | 0 | 0 | 119.2 | ||||
| 594 | Q | 28.9 | Very low | 39.5 | Very low | 194 Ų | 194 | 121.1 Ų | 121.1 | 91% | 0.907 | 66% | 0.66 | S | S | * | * | trans | -171.2 | 84.6 | 142.8 | -104.4 | 172.2 | 14 | 0 | 0 | 107.9 | ||||
| 595 | T | 30.1 | Very low | 40.9 | Very low | 124 Ų | 124 | 115.9 Ų | 115.9 | 76% | 0.761 | 64% | 0.638 | S | S | * | * | trans | -129 | 31.8 | -174.7 | 54.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 596 | I | 38.4 | Very low | 42.9 | Very low | 144 Ų | 144 | 109.3 Ų | 109.3 | 74% | 0.738 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -107.4 | -21.3 | -177.1 | -60.6 | 178.9 | 0 | 0 | 0 | 113 | ||
| 597 | D | 38.6 | Very low | 45.3 | Very low | 96 Ų | 96 | 108.1 Ų | 108.1 | 51% | 0.513 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -98.4 | -7.4 | -172.4 | -69.9 | -28.2 | 0 | 0 | 0 | 116.2 | ||
| 598 | N | 46 | Very low | 47.6 | Very low | 119 Ų | 119 | 104.7 Ų | 104.7 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -80.1 | -26.9 | -179.7 | -81.4 | -17.7 | 0 | 0 | 0 | 113.9 | E602 | N598-E602 PolarHBondContact O-N 2.84Å |
| 599 | D | 44.8 | Very low | 50.3 | Low | 109 Ų | 109 | 98.4 Ų | 98.4 | 58% | 0.583 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -73 | -32.3 | -174.5 | -73.9 | -19.7 | 0 | 0 | 0 | 112.8 | N601 E602 S603 | D599-N601 PolarHBondContact O-N 2.83Å; D599-E602 PolarHBondContact O-N 2.77Å; D599-S603 PolarHBondContact O-N 3.19Å |
| 600 | C | 48.5 | Very low | 53.2 | Low | 89 Ų | 89 | 94.9 Ų | 94.9 | 60% | 0.601 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64 | -40.7 | 177.7 | -74.6 | 0 | 0 | 0 | 0 | 112.1 | S603 L604 | C600-S603 PolarHBondContact O-N 2.91Å; C600-S603 PolarHBondContact O-OG 3.12Å; C600-L604 PolarHBondContact O-N 2.79Å |
| 601 | N | 57.1 | Low | 55.8 | Low | 100 Ų | 100 | 86 Ų | 86 | 54% | 0.535 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.9 | -35.4 | -179.8 | -75.5 | -21.9 | 0 | 0 | 0 | 112.9 | D599 L605 | D599-N601 PolarHBondContact O-N 2.83Å; N601-L605 PolarHBondContact O-N 2.89Å |
| 602 | E | 65.1 | Low | 58.7 | Low | 27 Ų | 27 | 81.6 Ų | 81.6 | 13% | 0.126 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 173.6 | -74.2 | -171.2 | 175.7 | 0 | 0 | 110.8 | L580 K584 N598 D599 L604 L605 Y606 | L580-E602 HydrophobicContact CD1-CG 4.32Å; L580-E602 HydrophobicContact CD2-CG 3.99Å; K584-E602 WeakPolarHBondContact CE-OE1 3.46Å; K584-E602 IonicContact NZ-OE1 2.94Å; K584-E602 PolarHBondContact NZ-OE1 3.45Å; K584-E602 VanDerWaalsContact NZ-OE1 3.09Å; K584-E602 IonicContact NZ-OE2 3.38Å; K584-E602 PolarHBondContact NZ-OE2 3.16Å; N598-E602 PolarHBondContact O-N 2.84Å; D599-E602 PolarHBondContact O-N 2.77Å; E602-L604 PolarHBondContact O-N 2.95Å; E602-L605 PolarHBondContact O-N 3.1Å; E602-Y606 HydrophobicContact CB-CE2 4.33Å; E602-Y606 WeakPolarHBondContact O-CB 3.28Å; E602-Y606 WeakPolarHBondContact O-CD1 3.36Å; E602-Y606 WeakPolarHBondContact O-CD2 3.33Å; E602-Y606 PolarHBondContact O-N 2.83Å |
| 603 | S | 68.5 | Low | 61.5 | Low | 59 Ų | 59 | 76.5 Ų | 76.5 | 41% | 0.413 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.1 | -38.5 | -178.8 | 77.4 | 0 | 0 | 0 | 0 | 113.1 | D599 C600 Y606 N607 | D599-S603 PolarHBondContact O-N 3.19Å; C600-S603 PolarHBondContact O-N 2.91Å; C600-S603 PolarHBondContact O-OG 3.12Å; S603-Y606 PolarHBondContact O-N 3.2Å; S603-N607 WeakPolarHBondContact O-CB 3.21Å; S603-N607 VanDerWaalsContact O-CG 3.28Å; S603-N607 PolarHBondContact O-N 3.4Å; S603-N607 PolarHBondContact O-ND2 3.16Å |
| 604 | L | 70.6 | Confident | 64.3 | Low | 100 Ų | 100 | 73.8 Ų | 73.8 | 52% | 0.524 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 178.5 | -170.8 | 73.2 | 0 | 0 | 0 | 110.9 | C600 E602 N607 Q608 | C600-L604 PolarHBondContact O-N 2.79Å; E602-L604 PolarHBondContact O-N 2.95Å; L604-N607 PolarHBondContact O-N 2.97Å; L604-Q608 WeakPolarHBondContact O-CG 3.37Å; L604-Q608 PolarHBondContact O-N 2.85Å |
| 605 | L | 73.9 | Confident | 66.8 | Low | 14 Ų | 14 | 69.4 Ų | 69.4 | 7% | 0.073 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.9 | -43 | 177.1 | -176.4 | 68.8 | 0 | 0 | 0 | 111.5 | W553 L577 L580 N601 E602 N607 Q608 I609 | W553-L605 HydrophobicContact CH2-CD1 3.8Å; W553-L605 HydrophobicContact CZ2-CD1 3.28Å; L577-L605 HydrophobicContact CD2-CD2 4.09Å; L580-L605 HydrophobicContact CD1-CD2 3.44Å; L580-L605 VanDerWaalsContact CD1-CD2 3.44Å; N601-L605 PolarHBondContact O-N 2.89Å; E602-L605 PolarHBondContact O-N 3.1Å; L605-N607 VanDerWaalsContact C-N 3.33Å; L605-N607 PolarHBondContact O-N 2.95Å; L605-Q608 PolarHBondContact O-N 2.96Å; L605-I609 HydrophobicContact CD1-CD1 4.2Å; L605-I609 HydrophobicContact CD1-CG1 4.48Å; L605-I609 HydrophobicContact CG-CD1 3.97Å; L605-I609 WeakPolarHBondContact O-CG1 3.45Å; L605-I609 PolarHBondContact O-N 2.86Å |
| 606 | Y | 81.4 | Confident | 69.1 | Low | 33 Ų | 33 | 65.9 Ų | 65.9 | 13% | 0.129 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 176.9 | -70 | -6.8 | 0 | 0 | 0 | 112.1 | L577 E602 S603 L610 I648 | L577-Y606 HydrophobicContact CD2-CD1 3.83Å; L577-Y606 HydrophobicContact CD2-CE1 3.62Å; E602-Y606 HydrophobicContact CB-CE2 4.33Å; E602-Y606 WeakPolarHBondContact O-CB 3.28Å; E602-Y606 WeakPolarHBondContact O-CD1 3.36Å; E602-Y606 WeakPolarHBondContact O-CD2 3.33Å; E602-Y606 PolarHBondContact O-N 2.83Å; S603-Y606 PolarHBondContact O-N 3.2Å; Y606-L610 WeakPolarHBondContact O-CB 3.39Å; Y606-L610 WeakPolarHBondContact O-CD1 3.46Å; Y606-L610 WeakPolarHBondContact O-CG 3.45Å; Y606-L610 PolarHBondContact O-N 3.33Å; Y606-I648 HydrophobicContact CD1-CG1 4.28Å; Y606-I648 HydrophobicContact CG-CG2 4.19Å |
| 607 | N | 80.4 | Confident | 71.1 | Confident | 83 Ų | 83 | 59.1 Ų | 59.1 | 44% | 0.444 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69.2 | -36.9 | 176.9 | -69.4 | -29.2 | 0 | 0 | 0 | 112.2 | S603 L604 L605 L610 A611 K650 | S603-N607 WeakPolarHBondContact O-CB 3.21Å; S603-N607 VanDerWaalsContact O-CG 3.28Å; S603-N607 PolarHBondContact O-N 3.4Å; S603-N607 PolarHBondContact O-ND2 3.16Å; L604-N607 PolarHBondContact O-N 2.97Å; L605-N607 VanDerWaalsContact C-N 3.33Å; L605-N607 PolarHBondContact O-N 2.95Å; N607-L610 PolarHBondContact O-N 3.47Å; N607-A611 WeakPolarHBondContact O-CB 3.4Å; N607-A611 PolarHBondContact O-N 3.48Å; N607-K650 PolarHBondContact OD1-NZ 2.88Å |
| 608 | Q | 78.5 | Confident | 73.1 | Confident | 73 Ų | 73 | 55.7 Ų | 55.7 | 34% | 0.341 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 174.3 | -76.4 | 176.8 | -6.8 | 0 | 0 | 112.1 | L604 L605 A611 I612 | L604-Q608 WeakPolarHBondContact O-CG 3.37Å; L604-Q608 PolarHBondContact O-N 2.85Å; L605-Q608 PolarHBondContact O-N 2.96Å; Q608-A611 PolarHBondContact O-N 2.98Å; Q608-I612 WeakPolarHBondContact O-CG1 3.26Å; Q608-I612 PolarHBondContact O-N 2.63Å |
| 609 | I | 83.6 | Confident | 74.5 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.1 | -39.2 | 178.3 | -65.3 | 170.1 | 0 | 0 | 0 | 110.7 | W553 M573 L577 L605 A611 I612 L613 I644 I648 | W553-I609 HydrophobicContact CH2-CD1 4.43Å; W553-I609 HydrophobicContact CH2-CG1 3.79Å; W553-I609 HydrophobicContact CZ3-CG1 4.23Å; M573-I609 HydrophobicContact SD-CG2 3.91Å; L577-I609 HydrophobicContact CD1-CD1 3.77Å; L577-I609 HydrophobicContact CD2-CD1 3.62Å; L577-I609 HydrophobicContact CG-CD1 3.54Å; L605-I609 HydrophobicContact CD1-CD1 4.2Å; L605-I609 HydrophobicContact CD1-CG1 4.48Å; L605-I609 HydrophobicContact CG-CD1 3.97Å; L605-I609 WeakPolarHBondContact O-CG1 3.45Å; L605-I609 PolarHBondContact O-N 2.86Å; I609-A611 VanDerWaalsContact C-N 3.35Å; I609-A611 PolarHBondContact O-N 2.62Å; I609-I612 PolarHBondContact O-N 3.3Å; I609-L613 HydrophobicContact CG2-CD1 4.25Å; I609-L613 HydrophobicContact CG2-CG 4.41Å; I609-L613 WeakPolarHBondContact O-CG 3.4Å; I609-L613 PolarHBondContact O-N 3.35Å; I609-I644 HydrophobicContact CG2-CG2 3.81Å; I609-I648 HydrophobicContact CB-CD1 3.98Å; I609-I648 HydrophobicContact CG2-CD1 3.53Å |
| 610 | L | 81.8 | Confident | 75.9 | Confident | 27 Ų | 27 | 51.5 Ų | 51.5 | 14% | 0.141 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61 | -42.4 | 173.3 | -78.5 | 163.8 | 0 | 0 | 0 | 112.3 | Y606 N607 L613 H614 I648 K650 | Y606-L610 WeakPolarHBondContact O-CB 3.39Å; Y606-L610 WeakPolarHBondContact O-CD1 3.46Å; Y606-L610 WeakPolarHBondContact O-CG 3.45Å; Y606-L610 PolarHBondContact O-N 3.33Å; N607-L610 PolarHBondContact O-N 3.47Å; L610-L613 PolarHBondContact O-N 3.48Å; L610-H614 WeakPolarHBondContact O-CB 3.31Å; L610-H614 PolarHBondContact O-N 3.1Å; L610-I648 HydrophobicContact CD1-CG2 3.79Å; L610-I648 HydrophobicContact CD2-CG2 4.38Å; L610-I648 HydrophobicContact CG-CD1 4.42Å; L610-I648 HydrophobicContact CG-CG2 3.98Å; L610-K650 HydrophobicContact CD1-CD 3.62Å; L610-K650 HydrophobicContact CD1-CG 4.41Å |
| 611 | A | 83.8 | Confident | 77.1 | Confident | 46 Ų | 46 | 47.5 Ų | 47.5 | 38% | 0.38 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N607 Q608 I609 L613 H614 D615 | N607-A611 WeakPolarHBondContact O-CB 3.4Å; N607-A611 PolarHBondContact O-N 3.48Å; Q608-A611 PolarHBondContact O-N 2.98Å; I609-A611 VanDerWaalsContact C-N 3.35Å; I609-A611 PolarHBondContact O-N 2.62Å; A611-L613 PolarHBondContact O-N 3.45Å; A611-H614 PolarHBondContact O-N 3.27Å; A611-D615 WeakPolarHBondContact O-CB 2.93Å; A611-D615 PolarHBondContact O-N 3.07Å |
| 612 | I | 82.9 | Confident | 77.7 | Confident | 16 Ų | 16 | 46 Ų | 46 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 175.7 | -65.7 | 166.2 | 0 | 0 | 0 | 111.3 | W553 N554 V557 L561 M573 Q608 I609 H614 E616 V617 | W553-I612 HydrophobicContact CH2-CD1 4.2Å; W553-I612 HydrophobicContact CZ3-CD1 4.28Å; N554-I612 HydrophobicContact CB-CD1 4.49Å; V557-I612 HydrophobicContact CG1-CG2 4.02Å; L561-I612 HydrophobicContact CD1-CG2 3.55Å; M573-I612 HydrophobicContact CE-CG2 4.08Å; M573-I612 HydrophobicContact SD-CB 4.46Å; M573-I612 HydrophobicContact SD-CG2 3.92Å; Q608-I612 WeakPolarHBondContact O-CG1 3.26Å; Q608-I612 PolarHBondContact O-N 2.63Å; I609-I612 PolarHBondContact O-N 3.3Å; I612-H614 VanDerWaalsContact C-N 3.35Å; I612-E616 WeakPolarHBondContact O-CB 3.46Å; I612-E616 PolarHBondContact O-N 3.34Å; I612-V617 PolarHBondContact O-N 3.45Å |
| 613 | L | 84.2 | Confident | 77.8 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -62.3 | -43 | 176.4 | -73.8 | 173 | 0 | 0 | 0 | 111.6 | L570 M573 I609 L610 A611 V617 L618 I641 I644 I648 F653 | L570-L613 HydrophobicContact CD2-CD2 3.94Å; M573-L613 HydrophobicContact CE-CD2 4.41Å; I609-L613 HydrophobicContact CG2-CD1 4.25Å; I609-L613 HydrophobicContact CG2-CG 4.41Å; I609-L613 WeakPolarHBondContact O-CG 3.4Å; I609-L613 PolarHBondContact O-N 3.35Å; L610-L613 PolarHBondContact O-N 3.48Å; A611-L613 PolarHBondContact O-N 3.45Å; L613-V617 HydrophobicContact CD2-CB 4.29Å; L613-V617 HydrophobicContact CD2-CG1 4.49Å; L613-V617 HydrophobicContact CD2-CG2 4.06Å; L613-V617 WeakPolarHBondContact O-CB 3.48Å; L613-V617 PolarHBondContact O-N 3.21Å; L613-L618 PolarHBondContact O-N 2.93Å; L613-I641 HydrophobicContact CD2-CG1 4.49Å; L613-I644 HydrophobicContact CD1-CG2 3.99Å; L613-I648 HydrophobicContact CD1-CD1 4.45Å; L613-F653 HydrophobicContact CB-CE1 4.43Å; L613-F653 HydrophobicContact CB-CE2 4.26Å; L613-F653 HydrophobicContact CB-CZ 3.87Å; L613-F653 HydrophobicContact CD1-CE1 4.47Å |
| 614 | H | 83.3 | Confident | 77.5 | Confident | 96 Ų | 96 | 50.7 Ų | 50.7 | 44% | 0.444 | 27% | 0.273 | S | S | . | . | I | π-helix | trans | -69.3 | -54 | 179.4 | 179.6 | -84.6 | 0 | 0 | 0 | 112.3 | L610 A611 I612 E657 | L610-H614 WeakPolarHBondContact O-CB 3.31Å; L610-H614 PolarHBondContact O-N 3.1Å; A611-H614 PolarHBondContact O-N 3.27Å; I612-H614 VanDerWaalsContact C-N 3.35Å; H614-E657 IonicContact CD2-OE2 3.4Å; H614-E657 PolarHBondContact CD2-OE2 2.65Å |
| 615 | D | 80.9 | Confident | 76.4 | Confident | 102 Ų | 102 | 52.1 Ų | 52.1 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | I | π-helix | trans | -80 | -39.1 | -168.5 | -66.3 | -18.5 | 0 | 0 | 0 | 112.8 | A611 H619 | A611-D615 WeakPolarHBondContact O-CB 2.93Å; A611-D615 PolarHBondContact O-N 3.07Å; D615-H619 WeakPolarHBondContact O-CB 3.44Å |
| 616 | E | 79.9 | Confident | 75.1 | Confident | 50 Ų | 50 | 58.4 Ų | 58.4 | 23% | 0.234 | 31% | 0.314 | C | S | . | . | I | π-helix | trans | -102.5 | -49.6 | -174.1 | -62.1 | -75.2 | 175.5 | 0 | 0 | 111.3 | L561 I612 V620 | L561-E616 HydrophobicContact CB-CB 4.5Å; L561-E616 HydrophobicContact CD1-CB 3.75Å; I612-E616 WeakPolarHBondContact O-CB 3.46Å; I612-E616 PolarHBondContact O-N 3.34Å; E616-V620 VanDerWaalsContact O-CG2 3.25Å; E616-V620 WeakPolarHBondContact O-CG2 3.47Å; E616-V620 PolarHBondContact O-N 3.04Å; E616-V620 VanDerWaalsContact O-N 3.09Å |
| 617 | V | 80.2 | Confident | 73.3 | Confident | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.012 | 34% | 0.344 | C | S | . | . | I | π-helix | trans | -72.9 | -46.5 | -172 | -179.4 | 0 | 0 | 0 | 0 | 112.7 | L561 M573 I612 L613 H619 V620 L621 I641 | L561-V617 HydrophobicContact CD1-CG2 3.98Å; L561-V617 HydrophobicContact CD2-CG2 4Å; M573-V617 HydrophobicContact CE-CG2 4.09Å; I612-V617 PolarHBondContact O-N 3.45Å; L613-V617 HydrophobicContact CD2-CB 4.29Å; L613-V617 HydrophobicContact CD2-CG1 4.49Å; L613-V617 HydrophobicContact CD2-CG2 4.06Å; L613-V617 WeakPolarHBondContact O-CB 3.48Å; L613-V617 PolarHBondContact O-N 3.21Å; V617-H619 VanDerWaalsContact C-N 3.3Å; V617-H619 PolarHBondContact O-N 3.46Å; V617-V620 PolarHBondContact O-N 3.1Å; V617-L621 HydrophobicContact CG1-CD1 4.09Å; V617-L621 WeakPolarHBondContact O-CG 3.39Å; V617-L621 PolarHBondContact O-N 2.72Å; V617-I641 HydrophobicContact CG1-CD1 3.97Å |
| 618 | L | 79.1 | Confident | 71.6 | Confident | 24 Ų | 24 | 67.5 Ų | 67.5 | 13% | 0.126 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 176.9 | -70.6 | 177.3 | 0 | 0 | 0 | 111.8 | L613 V620 L621 A622 F653 E657 L658 A661 | L613-L618 PolarHBondContact O-N 2.93Å; L618-V620 PolarHBondContact O-N 2.97Å; L618-L621 PolarHBondContact O-N 2.8Å; L618-A622 WeakPolarHBondContact O-CB 3.24Å; L618-A622 PolarHBondContact O-N 2.97Å; L618-F653 HydrophobicContact CD1-CE2 3.92Å; L618-F653 HydrophobicContact CD1-CZ 4.09Å; L618-F653 HydrophobicContact CD2-CZ 4.15Å; L618-F653 HydrophobicContact CG-CE2 4.38Å; L618-F653 HydrophobicContact CG-CZ 4.06Å; L618-E657 HydrophobicContact CD1-CB 4.12Å; L618-L658 HydrophobicContact CD2-CD1 4.08Å; L618-A661 HydrophobicContact CD2-CB 4.29Å |
| 619 | H | 76.9 | Confident | 70 | Confident | 123 Ų | 123 | 70.9 Ų | 70.9 | 57% | 0.569 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.8 | -41.3 | 177.3 | -174.4 | -85.2 | 0 | 0 | 0 | 111.8 | D615 V617 A622 T623 | D615-H619 WeakPolarHBondContact O-CB 3.44Å; V617-H619 VanDerWaalsContact C-N 3.3Å; V617-H619 PolarHBondContact O-N 3.46Å; H619-A622 PolarHBondContact O-N 2.59Å; H619-T623 WeakPolarHBondContact O-CG2 3.25Å; H619-T623 PolarHBondContact O-N 2.97Å; H619-T623 PolarHBondContact O-OG1 3.26Å |
| 620 | V | 74 | Confident | 68.4 | Low | 17 Ų | 17 | 77.2 Ų | 77.2 | 10% | 0.103 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -67.4 | -39.8 | 175.6 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | L566 E616 V617 L618 A622 T623 | L566-V620 HydrophobicContact CD1-CB 4.48Å; L566-V620 HydrophobicContact CD1-CG1 3.75Å; L566-V620 HydrophobicContact CD2-CB 3.96Å; L566-V620 HydrophobicContact CD2-CG1 3.79Å; L566-V620 HydrophobicContact CD2-CG2 4.32Å; L566-V620 HydrophobicContact CG-CG1 3.99Å; E616-V620 VanDerWaalsContact O-CG2 3.25Å; E616-V620 WeakPolarHBondContact O-CG2 3.47Å; E616-V620 PolarHBondContact O-N 3.04Å; E616-V620 VanDerWaalsContact O-N 3.09Å; V617-V620 PolarHBondContact O-N 3.1Å; L618-V620 PolarHBondContact O-N 2.97Å; V620-A622 PolarHBondContact O-N 3.26Å; V620-T623 PolarHBondContact O-N 3.02Å; V620-T623 PolarHBondContact O-OG1 3.01Å; V620-T623 VanDerWaalsContact O-OG1 3.1Å |
| 621 | L | 73.9 | Confident | 66.8 | Low | 6 Ų | 6 | 82.9 Ų | 82.9 | 3% | 0.031 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65.1 | -37.7 | 176.6 | -71.6 | 171.3 | 0 | 0 | 0 | 112.5 | L566 V617 L618 T623 V637 I641 L658 | L566-L621 HydrophobicContact CD1-CD2 4.49Å; V617-L621 HydrophobicContact CG1-CD1 4.09Å; V617-L621 WeakPolarHBondContact O-CG 3.39Å; V617-L621 PolarHBondContact O-N 2.72Å; L618-L621 PolarHBondContact O-N 2.8Å; L621-T623 VanDerWaalsContact C-N 3.32Å; L621-T623 PolarHBondContact O-N 3.3Å; L621-V637 HydrophobicContact CD2-CG1 4.44Å; L621-I641 HydrophobicContact CD1-CD1 4.08Å; L621-L658 HydrophobicContact CD1-CD1 4.1Å |
| 622 | A | 68.7 | Low | 65.3 | Low | 67 Ų | 67 | 88 Ų | 88 | 55% | 0.554 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -74.3 | -19.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | L618 H619 V620 | L618-A622 WeakPolarHBondContact O-CB 3.24Å; L618-A622 PolarHBondContact O-N 2.97Å; H619-A622 PolarHBondContact O-N 2.59Å; V620-A622 PolarHBondContact O-N 3.26Å |
| 623 | T | 67.1 | Low | 64.2 | Low | 85 Ų | 85 | 90.3 Ų | 90.3 | 52% | 0.521 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -1 | -178 | 48.8 | 0 | 0 | 0 | 0 | 113.9 | H619 V620 L621 N625 | H619-T623 WeakPolarHBondContact O-CG2 3.25Å; H619-T623 PolarHBondContact O-N 2.97Å; H619-T623 PolarHBondContact O-OG1 3.26Å; V620-T623 PolarHBondContact O-N 3.02Å; V620-T623 PolarHBondContact O-OG1 3.01Å; V620-T623 VanDerWaalsContact O-OG1 3.1Å; L621-T623 VanDerWaalsContact C-N 3.32Å; L621-T623 PolarHBondContact O-N 3.3Å; T623-N625 PolarHBondContact O-N 3.06Å; T623-N625 VanDerWaalsContact O-N 3.08Å |
| 624 | Q | 61.9 | Low | 63.3 | Low | 101 Ų | 101 | 91 Ų | 91 | 47% | 0.472 | 48% | 0.477 | S | S | . | . | trans | -79.5 | 86.3 | 174.4 | -70.3 | -164.3 | -15.7 | 0 | 0 | 111.2 | ||||
| 625 | N | 48.7 | Very low | 62.6 | Low | 129 Ų | 129 | 89.1 Ų | 89.1 | 69% | 0.69 | 48% | 0.475 | S | S | * | . | trans | -103.3 | 127.7 | 163.9 | -74 | -22 | 0 | 0 | 0 | 109.8 | T623 | T623-N625 PolarHBondContact O-N 3.06Å; T623-N625 VanDerWaalsContact O-N 3.08Å | ||
| 626 | D | 45.8 | Very low | 62.3 | Low | 146 Ų | 146 | 86.1 Ų | 86.1 | 78% | 0.781 | 46% | 0.461 | S | S | * | . | S | Bend | trans | 71.5 | 118.2 | 158.7 | -58.2 | -32.1 | 0 | 0 | 0 | 120.5 | ||
| 627 | E | 44.8 | Very low | 62.3 | Low | 162 Ų | 162 | 84 Ų | 84 | 76% | 0.757 | 45% | 0.452 | S | S | * | . | S | Bend | trans | 53.6 | 78.2 | 141.8 | -55.3 | -172 | 175.6 | 0 | 0 | 118.7 | ||
| 628 | N | 43.8 | Very low | 62.4 | Low | 146 Ų | 146 | 83.9 Ų | 83.9 | 78% | 0.781 | 45% | 0.451 | S | S | * | . | 159.8 | 3.7 | 128.3 | -85.8 | -45.3 | 0 | 0 | 0 | 118 | |||||
| 629 | D | 44.2 | Very low | 62.3 | Low | 143 Ų | 143 | 87 Ų | 87 | 77% | 0.765 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -92.4 | 131.8 | -176.9 | -73 | -29.3 | 0 | 0 | 0 | 113.9 | W631 | D629-W631 PolarHBondContact O-N 2.74Š|
| 630 | N | 49.6 | Very low | 62.4 | Low | 134 Ų | 134 | 81.1 Ų | 81.1 | 72% | 0.717 | 44% | 0.438 | S | S | * | . | trans | -37.4 | 100 | -173 | -77 | -36.9 | 0 | 0 | 0 | 115.5 | I632 S633 | N630-I632 PolarHBondContact O-N 2.71Å; N630-I632 VanDerWaalsContact O-N 3.1Å; N630-S633 PolarHBondContact O-N 3.4Å; N630-S633 VanDerWaalsContact O-N 3.16Å; N630-S633 PolarHBondContact O-OG 3.27Å | ||
| 631 | W | 49.6 | Very low | 62.9 | Low | 146 Ų | 146 | 80.4 Ų | 80.4 | 55% | 0.553 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -16.8 | -176.3 | -61.5 | 85.4 | 0 | 0 | 0 | 115.6 | D629 S633 A634 H667 | D629-W631 PolarHBondContact O-N 2.74Å; W631-S633 PolarHBondContact O-N 2.77Å; W631-A634 WeakPolarHBondContact O-CB 3.29Å; W631-A634 PolarHBondContact O-N 2.8Å; W631-H667 HydrophobicContact CE3-CB 3.75Å; W631-H667 AromaticContact CE3-CD2 3.79Å; W631-H667 AromaticContact CE3-CG 3.82Å; W631-H667 AromaticContact CH2-CD2 3.65Å; W631-H667 HydrophobicContact CZ3-CB 3.68Å; W631-H667 AromaticContact CZ3-CD2 3.32Å; W631-H667 WeakPolarHBondContact CZ3-CD2 3.29Å; W631-H667 AromaticContact CZ3-CG 3.71Å |
| 632 | I | 51 | Low | 63.1 | Low | 154 Ų | 154 | 80.4 Ų | 80.4 | 79% | 0.79 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -58.7 | -30.9 | 174.4 | -61.5 | 171.4 | 0 | 0 | 0 | 110.7 | N630 A634 | N630-I632 PolarHBondContact O-N 2.71Å; N630-I632 VanDerWaalsContact O-N 3.1Å; I632-A634 VanDerWaalsContact C-N 3.33Å; I632-A634 PolarHBondContact O-N 3.24Å |
| 633 | S | 60 | Low | 63.5 | Low | 63 Ų | 63 | 81.9 Ų | 81.9 | 44% | 0.441 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -69.2 | -28.5 | 178 | 65.1 | 0 | 0 | 0 | 0 | 113.5 | N630 W631 S635 S636 V637 | N630-S633 PolarHBondContact O-N 3.4Å; N630-S633 VanDerWaalsContact O-N 3.16Å; N630-S633 PolarHBondContact O-OG 3.27Å; W631-S633 PolarHBondContact O-N 2.77Å; S633-S635 PolarHBondContact O-N 2.89Å; S633-S636 WeakPolarHBondContact CA-OG 3.49Å; S633-S636 PolarHBondContact O-N 3.3Å; S633-S636 PolarHBondContact O-OG 2.93Å; S633-V637 WeakPolarHBondContact O-CB 3.38Å; S633-V637 WeakPolarHBondContact O-CG2 3.43Å; S633-V637 PolarHBondContact O-N 3.34Å |
| 634 | A | 65 | Low | 64.2 | Low | 16 Ų | 16 | 77.9 Ų | 77.9 | 13% | 0.132 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66.2 | -41 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | W631 I632 V637 I638 L668 | W631-A634 WeakPolarHBondContact O-CB 3.29Å; W631-A634 PolarHBondContact O-N 2.8Å; I632-A634 VanDerWaalsContact C-N 3.33Å; I632-A634 PolarHBondContact O-N 3.24Å; A634-V637 PolarHBondContact O-N 2.82Å; A634-I638 WeakPolarHBondContact O-CG1 3.42Å; A634-I638 PolarHBondContact O-N 2.66Å; A634-I638 VanDerWaalsContact O-N 3.14Å; A634-L668 HydrophobicContact CB-CD2 3.7Å |
| 635 | S | 69.6 | Low | 65 | Low | 56 Ų | 56 | 73.1 Ų | 73.1 | 39% | 0.392 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.4 | -45.7 | 177 | -169.8 | 0 | 0 | 0 | 0 | 111.6 | S633 V637 I638 E639 | S633-S635 PolarHBondContact O-N 2.89Å; S635-V637 VanDerWaalsContact C-N 3.27Å; S635-V637 PolarHBondContact O-N 3.31Å; S635-I638 PolarHBondContact O-N 3.25Å; S635-E639 WeakPolarHBondContact O-CB 3.35Å; S635-E639 PolarHBondContact O-N 3.33Å |
| 636 | S | 75.4 | Confident | 66.3 | Low | 38 Ų | 38 | 74.7 Ų | 74.7 | 27% | 0.266 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.7 | -33.7 | 177.7 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | Q567 S633 S640 | Q567-S636 PolarHBondContact OE1-O 3.41Å; Q567-S636 PolarHBondContact OE1-OG 2.79Å; S633-S636 WeakPolarHBondContact CA-OG 3.49Å; S633-S636 PolarHBondContact O-N 3.3Å; S633-S636 PolarHBondContact O-OG 2.93Å; S636-S640 WeakPolarHBondContact O-CB 3.39Å; S636-S640 PolarHBondContact O-N 2.7Å; S636-S640 PolarHBondContact O-OG 3.31Å |
| 637 | V | 79.7 | Confident | 67.7 | Low | 6 Ų | 6 | 69.6 Ų | 69.6 | 4% | 0.036 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.4 | -50.4 | 178.1 | 163.7 | 0 | 0 | 0 | 0 | 110.2 | L566 Q567 L570 L621 S633 A634 S635 E639 S640 I641 | L566-V637 HydrophobicContact CB-CG2 4.2Å; Q567-V637 HydrophobicContact CB-CG2 4.3Å; Q567-V637 VanDerWaalsContact OE1-N 3.11Å; L570-V637 HydrophobicContact CD1-CB 4.29Å; L570-V637 HydrophobicContact CD1-CG1 3.76Å; L570-V637 HydrophobicContact CD1-CG2 4.33Å; L621-V637 HydrophobicContact CD2-CG1 4.44Å; S633-V637 WeakPolarHBondContact O-CB 3.38Å; S633-V637 WeakPolarHBondContact O-CG2 3.43Å; S633-V637 PolarHBondContact O-N 3.34Å; A634-V637 PolarHBondContact O-N 2.82Å; S635-V637 VanDerWaalsContact C-N 3.27Å; S635-V637 PolarHBondContact O-N 3.31Å; V637-E639 VanDerWaalsContact C-N 3.33Å; V637-E639 PolarHBondContact O-N 2.96Å; V637-S640 PolarHBondContact O-N 3.32Å; V637-I641 HydrophobicContact CG1-CD1 3.95Å; V637-I641 WeakPolarHBondContact O-CG1 3.4Å; V637-I641 PolarHBondContact O-N 2.96Å |
| 638 | I | 80.9 | Confident | 69.2 | Low | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62 | -42.5 | 178.3 | -65.5 | -66 | 0 | 0 | 0 | 111 | A634 S635 S640 I641 F642 L658 V662 L668 A671 L672 | A634-I638 WeakPolarHBondContact O-CG1 3.42Å; A634-I638 PolarHBondContact O-N 2.66Å; A634-I638 VanDerWaalsContact O-N 3.14Å; S635-I638 PolarHBondContact O-N 3.25Å; I638-S640 VanDerWaalsContact C-N 3.32Å; I638-S640 PolarHBondContact O-N 2.97Å; I638-I641 PolarHBondContact O-N 2.78Å; I638-F642 HydrophobicContact CG2-CD2 3.94Å; I638-F642 HydrophobicContact CG2-CE2 4.07Å; I638-F642 WeakPolarHBondContact O-CD2 3.37Å; I638-F642 PolarHBondContact O-N 3.14Å; I638-L658 HydrophobicContact CD1-CD1 4.25Å; I638-L658 HydrophobicContact CD1-CD2 4.45Å; I638-V662 HydrophobicContact CD1-CG2 4.5Å; I638-L668 HydrophobicContact CD1-CD2 4.24Å; I638-L668 HydrophobicContact CG1-CD2 3.95Å; I638-A671 HydrophobicContact CB-CB 4.27Å; I638-A671 HydrophobicContact CG1-CB 4.23Å; I638-L672 HydrophobicContact CG2-CB 4.27Å; I638-L672 HydrophobicContact CG2-CD1 4.08Å |
| 639 | E | 77.2 | Confident | 70.5 | Confident | 88 Ų | 88 | 62.3 Ų | 62.3 | 41% | 0.411 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 176.7 | -161.7 | -166.1 | 156.1 | 0 | 0 | 111.8 | S635 V637 F642 R643 | S635-E639 WeakPolarHBondContact O-CB 3.35Å; S635-E639 PolarHBondContact O-N 3.33Å; V637-E639 VanDerWaalsContact C-N 3.33Å; V637-E639 PolarHBondContact O-N 2.96Å; E639-F642 WeakPolarHBondContact O-CB 3.26Å; E639-F642 PolarHBondContact O-N 3.3Å; E639-R643 WeakPolarHBondContact O-CG 3.22Å; E639-R643 PolarHBondContact O-N 3.47Å; E639-R643 IonicContact OE1-CZ 3.8Å; E639-R643 IonicContact OE1-NE 2.76Å; E639-R643 PolarHBondContact OE1-NE 3.45Å; E639-R643 IonicContact OE1-NH2 3.87Å; E639-R643 PolarHBondContact OE1-NH2 3.43Å; E639-R643 IonicContact OE2-NH2 3.25Å; E639-R643 PolarHBondContact OE2-NH2 3.35Å |
| 640 | S | 80.1 | Confident | 71.8 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 177 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | Q567 S636 V637 I638 R643 I644 | Q567-S640 PolarHBondContact NE2-OG 3.01Å; S636-S640 WeakPolarHBondContact O-CB 3.39Å; S636-S640 PolarHBondContact O-N 2.7Å; S636-S640 PolarHBondContact O-OG 3.31Å; V637-S640 PolarHBondContact O-N 3.32Å; I638-S640 VanDerWaalsContact C-N 3.32Å; I638-S640 PolarHBondContact O-N 2.97Å; S640-R643 PolarHBondContact O-N 2.86Å; S640-I644 WeakPolarHBondContact O-CB 3.35Å; S640-I644 WeakPolarHBondContact O-CD1 3.28Å; S640-I644 VanDerWaalsContact O-CG1 3.24Å; S640-I644 WeakPolarHBondContact O-CG1 3.1Å; S640-I644 PolarHBondContact O-N 3.17Å |
| 641 | I | 83.5 | Confident | 72.7 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 174 | -66 | 165.2 | 0 | 0 | 0 | 110.2 | L570 L613 V617 L621 V637 I638 R643 I644 S645 F653 L658 | L570-I641 HydrophobicContact CD1-CD1 4.45Å; L570-I641 HydrophobicContact CD1-CG1 3.98Å; L570-I641 HydrophobicContact CD2-CG1 3.9Å; L613-I641 HydrophobicContact CD2-CG1 4.49Å; V617-I641 HydrophobicContact CG1-CD1 3.97Å; L621-I641 HydrophobicContact CD1-CD1 4.08Å; V637-I641 HydrophobicContact CG1-CD1 3.95Å; V637-I641 WeakPolarHBondContact O-CG1 3.4Å; V637-I641 PolarHBondContact O-N 2.96Å; I638-I641 PolarHBondContact O-N 2.78Å; I641-R643 VanDerWaalsContact C-N 3.35Å; I641-R643 PolarHBondContact O-N 2.75Å; I641-I644 PolarHBondContact O-N 3.1Å; I641-S645 WeakPolarHBondContact O-CB 3.38Å; I641-S645 PolarHBondContact O-N 3.33Å; I641-S645 PolarHBondContact O-OG 3.29Å; I641-S645 VanDerWaalsContact O-OG 3.11Å; I641-F653 HydrophobicContact CG2-CE1 3.93Å; I641-L658 HydrophobicContact CD1-CD1 4.46Å; I641-L658 HydrophobicContact CG2-CD2 3.91Å |
| 642 | F | 78.3 | Confident | 73.9 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.9 | -44.4 | 175.5 | -99.4 | -91.2 | 0 | 0 | 0 | 112.6 | I638 E639 R646 I654 W655 L672 A675 T676 I679 | I638-F642 HydrophobicContact CG2-CD2 3.94Å; I638-F642 HydrophobicContact CG2-CE2 4.07Å; I638-F642 WeakPolarHBondContact O-CD2 3.37Å; I638-F642 PolarHBondContact O-N 3.14Å; E639-F642 WeakPolarHBondContact O-CB 3.26Å; E639-F642 PolarHBondContact O-N 3.3Å; F642-R646 VanDerWaalsContact O-CB 3.29Å; F642-R646 WeakPolarHBondContact O-CB 3.48Å; F642-R646 PolarHBondContact O-N 3.47Å; F642-I654 HydrophobicContact CD1-CD1 3.62Å; F642-I654 HydrophobicContact CD1-CG2 4.46Å; F642-I654 HydrophobicContact CE1-CD1 3.72Å; F642-I654 HydrophobicContact CE1-CG1 4.47Å; F642-I654 HydrophobicContact CE1-CG2 3.68Å; F642-I654 HydrophobicContact CE2-CG2 3.83Å; F642-I654 HydrophobicContact CG-CD1 4.22Å; F642-I654 HydrophobicContact CZ-CD1 4.39Å; F642-I654 HydrophobicContact CZ-CG2 3.31Å; F642-W655 HydrophobicContact CE1-CH2 4.05Å; F642-W655 HydrophobicContact CE1-CZ3 4.48Å; F642-W655 HydrophobicContact CZ-CH2 4.15Å; F642-W655 HydrophobicContact CZ-CZ3 4.15Å; F642-L672 HydrophobicContact CD2-CD1 4.48Å; F642-L672 HydrophobicContact CE2-CD1 3.48Å; F642-L672 VanDerWaalsContact CE2-CD1 3.48Å; F642-L672 HydrophobicContact CE2-CG 4.03Å; F642-L672 HydrophobicContact CZ-CD1 4.1Å; F642-L672 HydrophobicContact CZ-CG 4.38Å; F642-A675 HydrophobicContact CD2-CB 3.74Å; F642-A675 HydrophobicContact CE2-CB 3.82Å; F642-A675 HydrophobicContact CG-CB 4.14Å; F642-A675 HydrophobicContact CZ-CB 4.33Å; F642-T676 WeakPolarHBondContact CZ-OG1 3.44Å; F642-I679 HydrophobicContact CD1-CD1 3.53Å; F642-I679 HydrophobicContact CE1-CD1 3.87Å |
| 643 | R | 76.9 | Confident | 75.4 | Confident | 98 Ų | 98 | 44.4 Ų | 44.4 | 37% | 0.37 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.5 | -45 | 176.7 | -69.2 | -175.8 | -145.6 | 148.3 | 0.2 | 111.3 | E574 E639 S640 I641 R646 M647 | E574-R643 IonicContact OE2-NH1 3.85Å; E574-R643 PolarHBondContact OE2-NH1 3.3Å; E639-R643 WeakPolarHBondContact O-CG 3.22Å; E639-R643 PolarHBondContact O-N 3.47Å; E639-R643 IonicContact OE1-CZ 3.8Å; E639-R643 IonicContact OE1-NE 2.76Å; E639-R643 PolarHBondContact OE1-NE 3.45Å; E639-R643 IonicContact OE1-NH2 3.87Å; E639-R643 PolarHBondContact OE1-NH2 3.43Å; E639-R643 IonicContact OE2-NH2 3.25Å; E639-R643 PolarHBondContact OE2-NH2 3.35Å; S640-R643 PolarHBondContact O-N 2.86Å; I641-R643 VanDerWaalsContact C-N 3.35Å; I641-R643 PolarHBondContact O-N 2.75Å; R643-R646 PolarHBondContact O-N 2.88Å; R643-M647 VanDerWaalsContact O-CG 3.31Å; R643-M647 WeakPolarHBondContact O-CG 3.22Å; R643-M647 PolarHBondContact O-N 3.4Å |
| 644 | I | 81.7 | Confident | 76.3 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.9 | -49 | 178.5 | -67.9 | 164.2 | 0 | 0 | 0 | 110.7 | L570 M573 E574 L577 I609 L613 S640 I641 R646 M647 I648 | L570-I644 HydrophobicContact CB-CD1 4.15Å; L570-I644 HydrophobicContact CD2-CD1 3.59Å; L570-I644 HydrophobicContact CG-CD1 4.48Å; M573-I644 HydrophobicContact CB-CD1 4.02Å; E574-I644 HydrophobicContact CB-CG1 4.31Å; L577-I644 HydrophobicContact CD1-CG2 4.06Å; I609-I644 HydrophobicContact CG2-CG2 3.81Å; L613-I644 HydrophobicContact CD1-CG2 3.99Å; S640-I644 WeakPolarHBondContact O-CB 3.35Å; S640-I644 WeakPolarHBondContact O-CD1 3.28Å; S640-I644 VanDerWaalsContact O-CG1 3.24Å; S640-I644 WeakPolarHBondContact O-CG1 3.1Å; S640-I644 PolarHBondContact O-N 3.17Å; I641-I644 PolarHBondContact O-N 3.1Å; I644-R646 VanDerWaalsContact C-N 3.26Å; I644-R646 PolarHBondContact O-N 3.13Å; I644-M647 WeakPolarHBondContact O-CB 3.26Å; I644-M647 PolarHBondContact O-N 2.81Å; I644-I648 HydrophobicContact CG2-CD1 3.56Å; I644-I648 HydrophobicContact CG2-CG1 4.4Å; I644-I648 WeakPolarHBondContact O-CG1 3Å; I644-I648 PolarHBondContact O-N 3.12Å |
| 645 | S | 80.3 | Confident | 76.8 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.1 | -37.1 | 177.1 | -63.3 | 0 | 0 | 0 | 0 | 112.2 | I641 I648 K649 K650 | I641-S645 WeakPolarHBondContact O-CB 3.38Å; I641-S645 PolarHBondContact O-N 3.33Å; I641-S645 PolarHBondContact O-OG 3.29Å; I641-S645 VanDerWaalsContact O-OG 3.11Å; S645-I648 PolarHBondContact O-N 2.98Å; S645-K649 PolarHBondContact O-N 2.75Å; S645-K649 VanDerWaalsContact O-N 3.16Å; S645-K650 PolarHBondContact O-N 2.69Å |
| 646 | R | 75.2 | Confident | 77.3 | Confident | 163 Ų | 163 | 45 Ų | 45 | 62% | 0.615 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -65.7 | -41.9 | 172.6 | 180 | 179.7 | 160.1 | 179.4 | -5.8 | 112.1 | F642 R643 I644 I648 K649 F706 | F642-R646 VanDerWaalsContact O-CB 3.29Å; F642-R646 WeakPolarHBondContact O-CB 3.48Å; F642-R646 PolarHBondContact O-N 3.47Å; R643-R646 PolarHBondContact O-N 2.88Å; I644-R646 VanDerWaalsContact C-N 3.26Å; I644-R646 PolarHBondContact O-N 3.13Å; R646-I648 VanDerWaalsContact C-N 3.3Å; R646-I648 PolarHBondContact O-N 3.48Å; R646-K649 PolarHBondContact O-N 3.09Å; R646-F706 HydrophobicContact CB-CZ 4.37Å |
| 647 | M | 74.3 | Confident | 77.6 | Confident | 39 Ų | 39 | 46.8 Ų | 46.8 | 19% | 0.192 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65 | -34 | 176.6 | -70.5 | 176.8 | 86.3 | 0 | 0 | 112.4 | E574 L577 K578 T581 R643 I644 K649 | E574-M647 HydrophobicContact CG-SD 4.01Å; L577-M647 HydrophobicContact CB-CE 3.4Å; L577-M647 HydrophobicContact CB-SD 4.04Å; L577-M647 HydrophobicContact CD1-CB 4.03Å; L577-M647 HydrophobicContact CD1-SD 4.32Å; K578-M647 HydrophobicContact CG-CE 4.31Å; T581-M647 HydrophobicContact CG2-CE 3.77Å; R643-M647 VanDerWaalsContact O-CG 3.31Å; R643-M647 WeakPolarHBondContact O-CG 3.22Å; R643-M647 PolarHBondContact O-N 3.4Å; I644-M647 WeakPolarHBondContact O-CB 3.26Å; I644-M647 PolarHBondContact O-N 2.81Å; M647-K649 VanDerWaalsContact C-N 3.3Å |
| 648 | I | 77.2 | Confident | 77.8 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -79.7 | -11.2 | 178.5 | -64.1 | 166.3 | 0 | 0 | 0 | 112.6 | L577 Y606 I609 L610 L613 I644 S645 R646 K650 | L577-I648 HydrophobicContact CD1-CD1 4.47Å; L577-I648 HydrophobicContact CD1-CG1 4.13Å; Y606-I648 HydrophobicContact CD1-CG1 4.28Å; Y606-I648 HydrophobicContact CG-CG2 4.19Å; I609-I648 HydrophobicContact CB-CD1 3.98Å; I609-I648 HydrophobicContact CG2-CD1 3.53Å; L610-I648 HydrophobicContact CD1-CG2 3.79Å; L610-I648 HydrophobicContact CD2-CG2 4.38Å; L610-I648 HydrophobicContact CG-CD1 4.42Å; L610-I648 HydrophobicContact CG-CG2 3.98Å; L613-I648 HydrophobicContact CD1-CD1 4.45Å; I644-I648 HydrophobicContact CG2-CD1 3.56Å; I644-I648 HydrophobicContact CG2-CG1 4.4Å; I644-I648 WeakPolarHBondContact O-CG1 3Å; I644-I648 PolarHBondContact O-N 3.12Å; S645-I648 PolarHBondContact O-N 2.98Å; R646-I648 VanDerWaalsContact C-N 3.3Å; R646-I648 PolarHBondContact O-N 3.48Å; I648-K650 VanDerWaalsContact C-N 3.27Å; I648-K650 HydrophobicContact CG2-CB 4.44Å; I648-K650 HydrophobicContact CG2-CG 4.36Å; I648-K650 PolarHBondContact O-N 3.2Å |
| 649 | K | 71.3 | Confident | 78 | Confident | 151 Ų | 151 | 47.6 Ų | 47.6 | 66% | 0.657 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 28.6 | -178.3 | -51.9 | 179.8 | -180 | 179.4 | 0 | 114.5 | S645 R646 M647 | S645-K649 PolarHBondContact O-N 2.75Å; S645-K649 VanDerWaalsContact O-N 3.16Å; R646-K649 PolarHBondContact O-N 3.09Å; M647-K649 VanDerWaalsContact C-N 3.3Å |
| 650 | K | 71.1 | Confident | 78.3 | Confident | 92 Ų | 92 | 46.2 Ų | 46.2 | 40% | 0.4 | 21% | 0.212 | S | C | . | . | trans | -122.8 | 80.3 | 172.9 | -65.9 | -159.9 | -164.9 | 164.6 | 0 | 110.6 | N607 L610 S645 I648 D652 | N607-K650 PolarHBondContact OD1-NZ 2.88Å; L610-K650 HydrophobicContact CD1-CD 3.62Å; L610-K650 HydrophobicContact CD1-CG 4.41Å; S645-K650 PolarHBondContact O-N 2.69Å; I648-K650 VanDerWaalsContact C-N 3.27Å; I648-K650 HydrophobicContact CG2-CB 4.44Å; I648-K650 HydrophobicContact CG2-CG 4.36Å; I648-K650 PolarHBondContact O-N 3.2Å; K650-D652 PolarHBondContact O-N 2.81Å | ||
| 651 | P | 68.9 | Low | 78.2 | Confident | 6 Ų | 6 | 48.1 Ų | 48.1 | 4% | 0.039 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -21.8 | 179.6 | 26.9 | -33.1 | 0 | 0 | 0 | 113.1 | F653 I654 N705 F706 | P651-F653 PolarHBondContact O-N 3.44Å; P651-F653 VanDerWaalsContact O-N 3.1Å; P651-I654 VanDerWaalsContact O-CB 3.3Å; P651-I654 WeakPolarHBondContact O-CB 3.28Å; P651-I654 PolarHBondContact O-N 3.39Å; P651-N705 HydrophobicContact CG-CB 3.61Å; P651-F706 HydrophobicContact CB-CD1 4.2Å; P651-F706 HydrophobicContact CB-CD2 4.29Å; P651-F706 HydrophobicContact CB-CE1 3.73Å; P651-F706 HydrophobicContact CB-CE2 3.84Å; P651-F706 HydrophobicContact CB-CG 4.47Å; P651-F706 HydrophobicContact CB-CZ 3.56Å; P651-F706 HydrophobicContact CG-CE2 4.29Å; P651-F706 HydrophobicContact CG-CZ 4.45Å |
| 652 | D | 74.3 | Confident | 78.2 | Confident | 91 Ų | 91 | 48.2 Ų | 48.2 | 49% | 0.487 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -54.7 | -33.1 | -177.2 | -54.6 | -20.6 | 0 | 0 | 0 | 112.8 | K650 I654 W655 L656 | K650-D652 PolarHBondContact O-N 2.81Å; D652-I654 PolarHBondContact O-N 3.42Å; D652-W655 PolarHBondContact O-N 3.18Å; D652-L656 HydrophobicContact CB-CD1 4.06Å; D652-L656 VanDerWaalsContact O-CB 3.27Å; D652-L656 WeakPolarHBondContact O-CB 3.44Å; D652-L656 WeakPolarHBondContact O-CG 3.47Å; D652-L656 PolarHBondContact O-N 3.22Å |
| 653 | F | 81.8 | Confident | 78.2 | Confident | 11 Ų | 11 | 54.7 Ų | 54.7 | 5% | 0.048 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -54.5 | -38.5 | 174.2 | 176.6 | -97.6 | 0 | 0 | 0 | 112.6 | L613 L618 I641 P651 E657 L658 | L613-F653 HydrophobicContact CB-CE1 4.43Å; L613-F653 HydrophobicContact CB-CE2 4.26Å; L613-F653 HydrophobicContact CB-CZ 3.87Å; L613-F653 HydrophobicContact CD1-CE1 4.47Å; L618-F653 HydrophobicContact CD1-CE2 3.92Å; L618-F653 HydrophobicContact CD1-CZ 4.09Å; L618-F653 HydrophobicContact CD2-CZ 4.15Å; L618-F653 HydrophobicContact CG-CE2 4.38Å; L618-F653 HydrophobicContact CG-CZ 4.06Å; I641-F653 HydrophobicContact CG2-CE1 3.93Å; P651-F653 PolarHBondContact O-N 3.44Å; P651-F653 VanDerWaalsContact O-N 3.1Å; F653-E657 HydrophobicContact CD2-CB 4.09Å; F653-E657 HydrophobicContact CD2-CG 4.44Å; F653-E657 WeakPolarHBondContact CD2-OE2 3.28Å; F653-E657 HydrophobicContact CE2-CB 4.19Å; F653-E657 WeakPolarHBondContact CE2-OE2 3.48Å; F653-E657 WeakPolarHBondContact O-CB 3.35Å; F653-E657 PolarHBondContact O-N 3.33Å; F653-E657 VanDerWaalsContact O-N 3.14Å; F653-L658 HydrophobicContact CE1-CB 4.37Å; F653-L658 PolarHBondContact O-N 3.18Å |
| 654 | I | 79.3 | Confident | 78.4 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -66.5 | -43.9 | -176.9 | -60 | 165.3 | 0 | 0 | 0 | 110.3 | F642 P651 D652 L658 Y659 L672 F706 | F642-I654 HydrophobicContact CD1-CD1 3.62Å; F642-I654 HydrophobicContact CD1-CG2 4.46Å; F642-I654 HydrophobicContact CE1-CD1 3.72Å; F642-I654 HydrophobicContact CE1-CG1 4.47Å; F642-I654 HydrophobicContact CE1-CG2 3.68Å; F642-I654 HydrophobicContact CE2-CG2 3.83Å; F642-I654 HydrophobicContact CG-CD1 4.22Å; F642-I654 HydrophobicContact CZ-CD1 4.39Å; F642-I654 HydrophobicContact CZ-CG2 3.31Å; P651-I654 VanDerWaalsContact O-CB 3.3Å; P651-I654 WeakPolarHBondContact O-CB 3.28Å; P651-I654 PolarHBondContact O-N 3.39Å; D652-I654 PolarHBondContact O-N 3.42Å; I654-L658 HydrophobicContact CG2-CD2 4.45Å; I654-L658 WeakPolarHBondContact O-CB 3.11Å; I654-Y659 PolarHBondContact O-N 3.47Å; I654-L672 HydrophobicContact CG2-CD1 4.39Å; I654-F706 HydrophobicContact CD1-CE1 3.78Å; I654-F706 HydrophobicContact CD1-CZ 4.46Å |
| 655 | W | 76.9 | Confident | 78.3 | Confident | 21 Ų | 21 | 58.7 Ų | 58.7 | 8% | 0.08 | 28% | 0.281 | C | S | . | . | I | π-helix | trans | -90.6 | -34.7 | -173.7 | -39.4 | 124.5 | 0 | 0 | 0 | 113 | F642 D652 P660 T676 F706 L709 M713 | F642-W655 HydrophobicContact CE1-CH2 4.05Å; F642-W655 HydrophobicContact CE1-CZ3 4.48Å; F642-W655 HydrophobicContact CZ-CH2 4.15Å; F642-W655 HydrophobicContact CZ-CZ3 4.15Å; D652-W655 PolarHBondContact O-N 3.18Å; W655-P660 WeakPolarHBondContact O-CD 3.22Å; W655-T676 HydrophobicContact CH2-CG2 3.78Å; W655-T676 HydrophobicContact CZ3-CG2 4.17Å; W655-F706 AromaticContact CZ2-CD1 3.96Å; W655-F706 HydrophobicContact CZ2-CD1 3.96Å; W655-L709 HydrophobicContact CD2-CD2 3.95Å; W655-L709 HydrophobicContact CE3-CD2 3.74Å; W655-L709 HydrophobicContact CH2-CD2 3.5Å; W655-L709 HydrophobicContact CZ2-CD2 3.67Å; W655-L709 HydrophobicContact CZ3-CD2 3.54Å; W655-M713 HydrophobicContact CD2-SD 4.39Å; W655-M713 HydrophobicContact CE3-CE 3.5Å; W655-M713 HydrophobicContact CE3-SD 3.42Å; W655-M713 HydrophobicContact CH2-CE 4.45Å; W655-M713 HydrophobicContact CZ3-CE 3.28Å; W655-M713 HydrophobicContact CZ3-SD 3.82Å |
| 656 | L | 79 | Confident | 78 | Confident | 127 Ų | 127 | 63.2 Ų | 63.2 | 67% | 0.665 | 31% | 0.31 | S | S | * | . | I | π-helix | trans | -87.7 | -27.6 | -176.1 | -64.1 | 178.7 | 0 | 0 | 0 | 113.6 | D652 P660 | D652-L656 HydrophobicContact CB-CD1 4.06Å; D652-L656 VanDerWaalsContact O-CB 3.27Å; D652-L656 WeakPolarHBondContact O-CB 3.44Å; D652-L656 WeakPolarHBondContact O-CG 3.47Å; D652-L656 PolarHBondContact O-N 3.22Å; L656-P660 WeakPolarHBondContact O-CG 3.07Å |
| 657 | E | 82.4 | Confident | 77.9 | Confident | 76 Ų | 76 | 59.9 Ų | 59.9 | 36% | 0.355 | 30% | 0.302 | S | S | . | . | I | π-helix | trans | -120.8 | -50.6 | -174.7 | -62.2 | 179.2 | -158.5 | 0 | 0 | 112.1 | H614 L618 F653 A661 | H614-E657 IonicContact CD2-OE2 3.4Å; H614-E657 PolarHBondContact CD2-OE2 2.65Å; L618-E657 HydrophobicContact CD1-CB 4.12Å; F653-E657 HydrophobicContact CD2-CB 4.09Å; F653-E657 HydrophobicContact CD2-CG 4.44Å; F653-E657 WeakPolarHBondContact CD2-OE2 3.28Å; F653-E657 HydrophobicContact CE2-CB 4.19Å; F653-E657 WeakPolarHBondContact CE2-OE2 3.48Å; F653-E657 WeakPolarHBondContact O-CB 3.35Å; F653-E657 PolarHBondContact O-N 3.33Å; F653-E657 VanDerWaalsContact O-N 3.14Å; E657-A661 WeakPolarHBondContact O-CB 3.45Å; E657-A661 PolarHBondContact O-N 2.92Å |
| 658 | L | 83.2 | Confident | 78 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -70.5 | -48.5 | -176.6 | -175.8 | 68.4 | 0 | 0 | 0 | 113.1 | L618 L621 I638 I641 F653 I654 A661 V662 L672 | L618-L658 HydrophobicContact CD2-CD1 4.08Å; L621-L658 HydrophobicContact CD1-CD1 4.1Å; I638-L658 HydrophobicContact CD1-CD1 4.25Å; I638-L658 HydrophobicContact CD1-CD2 4.45Å; I641-L658 HydrophobicContact CD1-CD1 4.46Å; I641-L658 HydrophobicContact CG2-CD2 3.91Å; F653-L658 HydrophobicContact CE1-CB 4.37Å; F653-L658 PolarHBondContact O-N 3.18Å; I654-L658 HydrophobicContact CG2-CD2 4.45Å; I654-L658 WeakPolarHBondContact O-CB 3.11Å; L658-A661 PolarHBondContact O-N 3.01Å; L658-V662 HydrophobicContact CD1-CG2 3.97Å; L658-V662 HydrophobicContact CG-CG2 4.41Å; L658-V662 WeakPolarHBondContact O-CB 3.24Å; L658-V662 WeakPolarHBondContact O-CG2 3.28Å; L658-V662 PolarHBondContact O-N 3.38Å; L658-L672 HydrophobicContact CD2-CD1 3.55Å; L658-L672 HydrophobicContact CG-CD1 3.96Å |
| 659 | Y | 84.2 | Confident | 78.1 | Confident | 22 Ų | 22 | 58.6 Ų | 58.6 | 9% | 0.086 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.5 | -48.1 | 179.2 | 171.2 | -109.6 | 0 | 0 | 0 | 112.5 | I654 A661 V662 R663 L672 F673 M713 E716 | I654-Y659 PolarHBondContact O-N 3.47Å; Y659-A661 VanDerWaalsContact C-N 3.29Å; Y659-A661 PolarHBondContact O-N 3.41Å; Y659-V662 PolarHBondContact O-N 3.17Å; Y659-V662 VanDerWaalsContact O-N 3.15Å; Y659-R663 HydrophobicContact CD2-CB 4.28Å; Y659-R663 HydrophobicContact CE2-CB 3.92Å; Y659-R663 WeakPolarHBondContact O-CB 3.3Å; Y659-R663 PolarHBondContact O-N 3.08Å; Y659-L672 HydrophobicContact CD2-CD2 3.64Å; Y659-L672 HydrophobicContact CG-CD2 4.26Å; Y659-F673 HydrophobicContact CE2-CE1 4.21Å; Y659-F673 HydrophobicContact CE2-CZ 4.05Å; Y659-M713 HydrophobicContact CD1-SD 4.24Å; Y659-M713 HydrophobicContact CD2-CE 4.13Å; Y659-M713 HydrophobicContact CD2-CG 4.3Å; Y659-M713 HydrophobicContact CD2-SD 4.09Å; Y659-M713 HydrophobicContact CE1-CB 4.07Å; Y659-M713 HydrophobicContact CE1-CG 4.32Å; Y659-M713 HydrophobicContact CE2-CG 4.08Å; Y659-M713 HydrophobicContact CE2-SD 4.46Å; Y659-M713 HydrophobicContact CG-CE 4.44Å; Y659-M713 HydrophobicContact CG-SD 3.96Å; Y659-E716 PolarHBondContact OH-OE2 3.28Å |
| 660 | P | 83.8 | Confident | 78.5 | Confident | 59 Ų | 59 | 52.3 Ų | 52.3 | 38% | 0.383 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60 | -35.6 | 175.8 | -27.2 | 37.4 | 0 | 0 | 0 | 114.1 | W655 L656 V662 | W655-P660 WeakPolarHBondContact O-CD 3.22Å; L656-P660 WeakPolarHBondContact O-CG 3.07Å; P660-V662 VanDerWaalsContact C-N 3.34Å |
| 661 | A | 79.8 | Confident | 78.8 | Confident | 41 Ų | 41 | 48.3 Ų | 48.3 | 34% | 0.339 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -68.9 | -33.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L618 E657 L658 Y659 | L618-A661 HydrophobicContact CD2-CB 4.29Å; E657-A661 WeakPolarHBondContact O-CB 3.45Å; E657-A661 PolarHBondContact O-N 2.92Å; L658-A661 PolarHBondContact O-N 3.01Å; Y659-A661 VanDerWaalsContact C-N 3.29Å; Y659-A661 PolarHBondContact O-N 3.41Å |
| 662 | V | 81.6 | Confident | 79.5 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -101.6 | -21.3 | -170 | 171.1 | 0 | 0 | 0 | 0 | 113.7 | I638 L658 Y659 P660 N664 L665 L668 A669 | I638-V662 HydrophobicContact CD1-CG2 4.5Å; L658-V662 HydrophobicContact CD1-CG2 3.97Å; L658-V662 HydrophobicContact CG-CG2 4.41Å; L658-V662 WeakPolarHBondContact O-CB 3.24Å; L658-V662 WeakPolarHBondContact O-CG2 3.28Å; L658-V662 PolarHBondContact O-N 3.38Å; Y659-V662 PolarHBondContact O-N 3.17Å; Y659-V662 VanDerWaalsContact O-N 3.15Å; P660-V662 VanDerWaalsContact C-N 3.34Å; V662-N664 PolarHBondContact O-N 3.22Å; V662-L665 WeakPolarHBondContact O-CB 3.48Å; V662-L665 PolarHBondContact O-N 2.97Å; V662-L668 HydrophobicContact CB-CB 4.5Å; V662-L668 HydrophobicContact CG1-CB 3.3Å; V662-A669 HydrophobicContact CG1-CB 4.41Å; V662-A669 VanDerWaalsContact CG1-N 3.31Å |
| 663 | R | 80.2 | Confident | 80 | Confident | 143 Ų | 143 | 44.1 Ų | 44.1 | 54% | 0.54 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -28.4 | -171.5 | 71.3 | 179.1 | -165 | -175 | 1.1 | 115.1 | Y659 L665 | Y659-R663 HydrophobicContact CD2-CB 4.28Å; Y659-R663 HydrophobicContact CE2-CB 3.92Å; Y659-R663 WeakPolarHBondContact O-CB 3.3Å; Y659-R663 PolarHBondContact O-N 3.08Å; R663-L665 VanDerWaalsContact C-N 3.3Å |
| 664 | N | 80.3 | Confident | 80 | Confident | 127 Ų | 127 | 45.4 Ų | 45.4 | 68% | 0.679 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -5.7 | -180 | -64 | -22.8 | 0 | 0 | 0 | 112.9 | V662 | V662-N664 PolarHBondContact O-N 3.22Š|
| 665 | L | 80.4 | Confident | 79.8 | Confident | 56 Ų | 56 | 46 Ų | 46 | 29% | 0.293 | 25% | 0.245 | S | C | . | . | trans | -110.1 | 101.2 | -178 | -63.4 | 172.1 | 0 | 0 | 0 | 109 | V662 R663 H667 L668 A669 | V662-L665 WeakPolarHBondContact O-CB 3.48Å; V662-L665 PolarHBondContact O-N 2.97Å; R663-L665 VanDerWaalsContact C-N 3.3Å; L665-H667 VanDerWaalsContact C-N 3.33Å; L665-H667 PolarHBondContact O-N 2.95Å; L665-L668 HydrophobicContact CB-CB 4.24Å; L665-L668 HydrophobicContact CB-CD1 4.22Å; L665-L668 HydrophobicContact CD1-CD1 3.71Å; L665-L668 PolarHBondContact O-N 3.42Å; L665-A669 WeakPolarHBondContact O-CB 3.4Å; L665-A669 PolarHBondContact O-N 2.92Å | ||
| 666 | P | 72.2 | Confident | 80 | Confident | 96 Ų | 96 | 45.2 Ų | 45.2 | 62% | 0.623 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -60.8 | -36.5 | -166 | 20.3 | -31.5 | 0 | 0 | 0 | 113.8 | S670 | P666-S670 VanDerWaalsContact O-CB 3.26Å; P666-S670 WeakPolarHBondContact O-CB 3.1Å; P666-S670 PolarHBondContact O-N 3.37Å |
| 667 | H | 73.3 | Confident | 80.1 | Confident | 93 Ų | 93 | 40 Ų | 40 | 43% | 0.431 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69.8 | -43.1 | 179.1 | -60.7 | -65.9 | 0 | 0 | 0 | 112.8 | W631 L665 S670 A671 | W631-H667 HydrophobicContact CE3-CB 3.75Å; W631-H667 AromaticContact CE3-CD2 3.79Å; W631-H667 AromaticContact CE3-CG 3.82Å; W631-H667 AromaticContact CH2-CD2 3.65Å; W631-H667 HydrophobicContact CZ3-CB 3.68Å; W631-H667 AromaticContact CZ3-CD2 3.32Å; W631-H667 WeakPolarHBondContact CZ3-CD2 3.29Å; W631-H667 AromaticContact CZ3-CG 3.71Å; L665-H667 VanDerWaalsContact C-N 3.33Å; L665-H667 PolarHBondContact O-N 2.95Å; H667-S670 PolarHBondContact O-N 2.91Å; H667-A671 PolarHBondContact O-N 2.85Å |
| 668 | L | 76 | Confident | 79.8 | Confident | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -73.9 | -36.3 | 178.5 | -73.9 | 167.6 | 0 | 0 | 0 | 111.3 | A634 I638 V662 L665 S670 A671 L672 | A634-L668 HydrophobicContact CB-CD2 3.7Å; I638-L668 HydrophobicContact CD1-CD2 4.24Å; I638-L668 HydrophobicContact CG1-CD2 3.95Å; V662-L668 HydrophobicContact CB-CB 4.5Å; V662-L668 HydrophobicContact CG1-CB 3.3Å; L665-L668 HydrophobicContact CB-CB 4.24Å; L665-L668 HydrophobicContact CB-CD1 4.22Å; L665-L668 HydrophobicContact CD1-CD1 3.71Å; L665-L668 PolarHBondContact O-N 3.42Å; L668-S670 VanDerWaalsContact C-N 3.32Å; L668-A671 PolarHBondContact O-N 3.38Å; L668-L672 WeakPolarHBondContact O-CB 3.45Å; L668-L672 PolarHBondContact O-N 3.31Å |
| 669 | A | 80.3 | Confident | 79.3 | Confident | 8 Ų | 8 | 41.9 Ų | 41.9 | 7% | 0.066 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.1 | -41.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111 | V662 L665 A671 L672 F673 | V662-A669 HydrophobicContact CG1-CB 4.41Å; V662-A669 VanDerWaalsContact CG1-N 3.31Å; L665-A669 WeakPolarHBondContact O-CB 3.4Å; L665-A669 PolarHBondContact O-N 2.92Å; A669-A671 PolarHBondContact O-N 3.43Å; A669-L672 WeakPolarHBondContact O-CB 3.47Å; A669-L672 PolarHBondContact O-N 2.8Å; A669-F673 HydrophobicContact CB-CE2 4.31Å; A669-F673 WeakPolarHBondContact O-CD2 3.17Å; A669-F673 VanDerWaalsContact O-CG 3.3Å; A669-F673 WeakPolarHBondContact O-CG 3.3Å; A669-F673 PolarHBondContact O-N 2.98Å |
| 670 | S | 79.8 | Confident | 78.9 | Confident | 20 Ų | 20 | 40.9 Ų | 40.9 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.9 | -40.6 | 173.8 | -170.6 | 0 | 0 | 0 | 0 | 112.8 | P666 H667 L668 L672 F673 N674 W720 Q724 | P666-S670 VanDerWaalsContact O-CB 3.26Å; P666-S670 WeakPolarHBondContact O-CB 3.1Å; P666-S670 PolarHBondContact O-N 3.37Å; H667-S670 PolarHBondContact O-N 2.91Å; L668-S670 VanDerWaalsContact C-N 3.32Å; S670-L672 VanDerWaalsContact C-N 3.35Å; S670-F673 PolarHBondContact O-N 3.49Å; S670-N674 WeakPolarHBondContact O-CB 3.34Å; S670-N674 PolarHBondContact O-N 2.95Å; S670-W720 PolarHBondContact OG-NE1 3.25Å; S670-Q724 PolarHBondContact OG-NE2 3.42Å |
| 671 | A | 78 | Confident | 78.6 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.7 | -39 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I638 H667 L668 A669 N674 A675 | I638-A671 HydrophobicContact CB-CB 4.27Å; I638-A671 HydrophobicContact CG1-CB 4.23Å; H667-A671 PolarHBondContact O-N 2.85Å; L668-A671 PolarHBondContact O-N 3.38Å; A669-A671 PolarHBondContact O-N 3.43Å; A671-N674 WeakPolarHBondContact O-CB 3.5Å; A671-N674 PolarHBondContact O-N 3.18Å; A671-A675 PolarHBondContact O-N 3.31Å |
| 672 | L | 83.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.7 | -45.4 | 174.2 | -169.1 | 91 | 0 | 0 | 0 | 111.4 | I638 F642 I654 L658 Y659 L668 A669 S670 A675 T676 M713 | I638-L672 HydrophobicContact CG2-CB 4.27Å; I638-L672 HydrophobicContact CG2-CD1 4.08Å; F642-L672 HydrophobicContact CD2-CD1 4.48Å; F642-L672 HydrophobicContact CE2-CD1 3.48Å; F642-L672 VanDerWaalsContact CE2-CD1 3.48Å; F642-L672 HydrophobicContact CE2-CG 4.03Å; F642-L672 HydrophobicContact CZ-CD1 4.1Å; F642-L672 HydrophobicContact CZ-CG 4.38Å; I654-L672 HydrophobicContact CG2-CD1 4.39Å; L658-L672 HydrophobicContact CD2-CD1 3.55Å; L658-L672 HydrophobicContact CG-CD1 3.96Å; Y659-L672 HydrophobicContact CD2-CD2 3.64Å; Y659-L672 HydrophobicContact CG-CD2 4.26Å; L668-L672 WeakPolarHBondContact O-CB 3.45Å; L668-L672 PolarHBondContact O-N 3.31Å; A669-L672 WeakPolarHBondContact O-CB 3.47Å; A669-L672 PolarHBondContact O-N 2.8Å; S670-L672 VanDerWaalsContact C-N 3.35Å; L672-A675 PolarHBondContact O-N 3.5Å; L672-T676 WeakPolarHBondContact O-CB 3.44Å; L672-T676 PolarHBondContact O-N 3.5Å; L672-T676 PolarHBondContact O-OG1 3.17Å; L672-M713 HydrophobicContact CD2-CE 3.82Å |
| 673 | F | 84.9 | Confident | 77.6 | Confident | 10 Ų | 10 | 45.9 Ų | 45.9 | 4% | 0.044 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.5 | -39.9 | 177 | -65.9 | -41.7 | 0 | 0 | 0 | 112.3 | Y659 A669 S670 T676 F677 M713 E716 L717 W720 | Y659-F673 HydrophobicContact CE2-CE1 4.21Å; Y659-F673 HydrophobicContact CE2-CZ 4.05Å; A669-F673 HydrophobicContact CB-CE2 4.31Å; A669-F673 WeakPolarHBondContact O-CD2 3.17Å; A669-F673 VanDerWaalsContact O-CG 3.3Å; A669-F673 WeakPolarHBondContact O-CG 3.3Å; A669-F673 PolarHBondContact O-N 2.98Å; S670-F673 PolarHBondContact O-N 3.49Å; F673-T676 PolarHBondContact O-N 3.3Å; F673-F677 VanDerWaalsContact O-CB 3.32Å; F673-F677 WeakPolarHBondContact O-CB 3.44Å; F673-F677 PolarHBondContact O-N 3.35Å; F673-M713 HydrophobicContact CD1-CE 4.23Å; F673-M713 HydrophobicContact CE1-CE 4.01Å; F673-M713 HydrophobicContact CE1-CG 4.15Å; F673-E716 HydrophobicContact CZ-CB 3.92Å; F673-L717 HydrophobicContact CB-CD1 3.79Å; F673-L717 HydrophobicContact CD1-CB 4.2Å; F673-L717 HydrophobicContact CD1-CD1 3.78Å; F673-L717 HydrophobicContact CE1-CB 4.34Å; F673-L717 HydrophobicContact CG-CD1 4.04Å; F673-W720 HydrophobicContact CB-CD2 3.73Å; F673-W720 HydrophobicContact CB-CE3 3.9Å; F673-W720 HydrophobicContact CB-CG 4.16Å; F673-W720 HydrophobicContact CB-CZ2 4.36Å; F673-W720 HydrophobicContact CB-CZ3 4.34Å; F673-W720 HydrophobicContact CD2-CB 4.02Å; F673-W720 AromaticContact CD2-CD1 3.75Å; F673-W720 HydrophobicContact CD2-CD2 4.19Å; F673-W720 AromaticContact CD2-CG 3.7Å; F673-W720 HydrophobicContact CD2-CG 3.7Å; F673-W720 HydrophobicContact CE2-CB 4.42Å; F673-W720 HydrophobicContact CE2-CG 4.48Å; F673-W720 HydrophobicContact CG-CD2 4.32Å; F673-W720 HydrophobicContact CG-CG 4.24Å |
| 674 | N | 81.2 | Confident | 77 | Confident | 38 Ų | 38 | 41.5 Ų | 41.5 | 20% | 0.203 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.9 | -50 | 171.9 | -91.9 | -19.7 | 0 | 0 | 0 | 112 | S670 A671 T676 F677 S678 W720 | S670-N674 WeakPolarHBondContact O-CB 3.34Å; S670-N674 PolarHBondContact O-N 2.95Å; A671-N674 WeakPolarHBondContact O-CB 3.5Å; A671-N674 PolarHBondContact O-N 3.18Å; N674-T676 VanDerWaalsContact C-N 3.33Å; N674-T676 PolarHBondContact O-N 2.95Å; N674-F677 PolarHBondContact O-N 3.18Å; N674-S678 WeakPolarHBondContact O-CB 3.49Å; N674-S678 PolarHBondContact O-N 3.49Å; N674-W720 WeakPolarHBondContact OD1-CH2 3.45Å; N674-W720 WeakPolarHBondContact OD1-CZ2 3.18Å |
| 675 | A | 76.1 | Confident | 76.5 | Confident | 13 Ų | 13 | 36.9 Ų | 36.9 | 11% | 0.107 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.2 | -41.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F642 A671 L672 S678 I679 | F642-A675 HydrophobicContact CD2-CB 3.74Å; F642-A675 HydrophobicContact CE2-CB 3.82Å; F642-A675 HydrophobicContact CG-CB 4.14Å; F642-A675 HydrophobicContact CZ-CB 4.33Å; A671-A675 PolarHBondContact O-N 3.31Å; L672-A675 PolarHBondContact O-N 3.5Å; A675-S678 PolarHBondContact O-N 3.37Å; A675-I679 WeakPolarHBondContact O-CG1 3.45Å; A675-I679 PolarHBondContact O-N 3.01Å |
| 676 | T | 80.4 | Confident | 76 | Confident | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63 | -45.8 | 176.6 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | F642 W655 L672 F673 N674 I679 L680 L709 L717 | F642-T676 WeakPolarHBondContact CZ-OG1 3.44Å; W655-T676 HydrophobicContact CH2-CG2 3.78Å; W655-T676 HydrophobicContact CZ3-CG2 4.17Å; L672-T676 WeakPolarHBondContact O-CB 3.44Å; L672-T676 PolarHBondContact O-N 3.5Å; L672-T676 PolarHBondContact O-OG1 3.17Å; F673-T676 PolarHBondContact O-N 3.3Å; N674-T676 VanDerWaalsContact C-N 3.33Å; N674-T676 PolarHBondContact O-N 2.95Å; T676-I679 PolarHBondContact O-N 3.16Å; T676-L680 HydrophobicContact CG2-CD1 4.34Å; T676-L680 PolarHBondContact O-N 3.5Å; T676-L709 HydrophobicContact CG2-CD1 4.21Å; T676-L709 HydrophobicContact CG2-CD2 4.36Å; T676-L717 HydrophobicContact CG2-CD2 4.16Å |
| 677 | F | 81.8 | Confident | 75.4 | Confident | 17 Ų | 17 | 32.1 Ų | 32.1 | 8% | 0.075 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 177.5 | 178.6 | -103.7 | 0 | 0 | 0 | 112.1 | F673 N674 I679 L680 K681 L743 R749 V752 C753 | F673-F677 VanDerWaalsContact O-CB 3.32Å; F673-F677 WeakPolarHBondContact O-CB 3.44Å; F673-F677 PolarHBondContact O-N 3.35Å; N674-F677 PolarHBondContact O-N 3.18Å; F677-I679 VanDerWaalsContact C-N 3.25Å; F677-I679 PolarHBondContact O-N 3.18Å; F677-L680 PolarHBondContact O-N 2.87Å; F677-K681 HydrophobicContact CE1-CD 4.4Å; F677-K681 WeakPolarHBondContact O-CB 3.09Å; F677-K681 PolarHBondContact O-N 3.49Å; F677-L743 HydrophobicContact CZ-CD2 4.34Å; F677-R749 HydrophobicContact CE1-CG 4.21Å; F677-R749 HydrophobicContact CE2-CB 3.95Å; F677-R749 HydrophobicContact CE2-CG 4.4Å; F677-R749 WeakPolarHBondContact CE2-O 3.26Å; F677-R749 HydrophobicContact CZ-CB 3.84Å; F677-R749 HydrophobicContact CZ-CG 3.8Å; F677-V752 HydrophobicContact CE2-CB 4.38Å; F677-V752 HydrophobicContact CE2-CG1 4.12Å; F677-V752 HydrophobicContact CZ-CG1 4.28Å; F677-C753 WeakPolarHBondContact CD2-SG 3.21Å |
| 678 | S | 75.6 | Confident | 74.9 | Confident | 78 Ų | 78 | 32.1 Ų | 32.1 | 55% | 0.545 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58.1 | -39.7 | 177.4 | -173.3 | 0 | 0 | 0 | 0 | 111.8 | N674 A675 S682 | N674-S678 WeakPolarHBondContact O-CB 3.49Å; N674-S678 PolarHBondContact O-N 3.49Å; A675-S678 PolarHBondContact O-N 3.37Å; S678-S682 PolarHBondContact O-N 2.89Å |
| 679 | I | 72.8 | Confident | 73.8 | Confident | 39 Ų | 39 | 33.5 Ų | 33.5 | 20% | 0.2 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.4 | -49.1 | 174.8 | -65.2 | 167.9 | 0 | 0 | 0 | 110.9 | F642 A675 T676 F677 K681 S682 | F642-I679 HydrophobicContact CD1-CD1 3.53Å; F642-I679 HydrophobicContact CE1-CD1 3.87Å; A675-I679 WeakPolarHBondContact O-CG1 3.45Å; A675-I679 PolarHBondContact O-N 3.01Å; T676-I679 PolarHBondContact O-N 3.16Å; F677-I679 VanDerWaalsContact C-N 3.25Å; F677-I679 PolarHBondContact O-N 3.18Å; I679-K681 VanDerWaalsContact C-N 3.29Å; I679-K681 PolarHBondContact O-N 3.13Å; I679-S682 WeakPolarHBondContact O-CB 3.29Å; I679-S682 PolarHBondContact O-N 3.33Å; I679-S682 PolarHBondContact O-OG 2.83Å |
| 680 | L | 75.4 | Confident | 72.5 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.7 | -44.4 | 178.2 | -73.4 | 173.3 | 0 | 0 | 0 | 111.2 | T676 F677 S682 L683 L709 L717 R756 L757 | T676-L680 HydrophobicContact CG2-CD1 4.34Å; T676-L680 PolarHBondContact O-N 3.5Å; F677-L680 PolarHBondContact O-N 2.87Å; L680-S682 PolarHBondContact O-N 2.8Å; L680-S682 VanDerWaalsContact O-N 3.14Å; L680-L683 HydrophobicContact CD2-CD1 4.4Å; L680-L683 WeakPolarHBondContact O-CB 3.35Å; L680-L683 PolarHBondContact O-N 3.05Å; L680-L709 HydrophobicContact CD1-CD1 4.34Å; L680-L717 HydrophobicContact CD1-CD2 3.84Å; L680-R756 WeakPolarHBondContact O-CD 3.49Å; L680-L757 HydrophobicContact CD1-CD2 4.19Å; L680-L757 HydrophobicContact CD2-CD2 4.38Å |
| 681 | K | 77.9 | Confident | 71 | Confident | 107 Ų | 107 | 40.6 Ų | 40.6 | 47% | 0.465 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56 | -31.5 | 176.5 | -175.9 | -178.6 | 173.7 | -172.8 | 0 | 112.9 | F677 I679 L683 L743 V752 | F677-K681 HydrophobicContact CE1-CD 4.4Å; F677-K681 WeakPolarHBondContact O-CB 3.09Å; F677-K681 PolarHBondContact O-N 3.49Å; I679-K681 VanDerWaalsContact C-N 3.29Å; I679-K681 PolarHBondContact O-N 3.13Å; K681-L683 VanDerWaalsContact C-N 3.29Å; K681-L683 PolarHBondContact O-N 3.39Å; K681-L743 HydrophobicContact CD-CD1 4.25Å; K681-L743 VanDerWaalsContact NZ-CD1 3.31Å; K681-V752 HydrophobicContact CB-CG1 4.46Å |
| 682 | S | 72.7 | Confident | 69.2 | Low | 88 Ų | 88 | 45 Ų | 45 | 62% | 0.615 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -10.2 | 178.6 | 78.1 | 0 | 0 | 0 | 0 | 114.6 | S678 I679 L680 | S678-S682 PolarHBondContact O-N 2.89Å; I679-S682 WeakPolarHBondContact O-CB 3.29Å; I679-S682 PolarHBondContact O-N 3.33Å; I679-S682 PolarHBondContact O-OG 2.83Å; L680-S682 PolarHBondContact O-N 2.8Å; L680-S682 VanDerWaalsContact O-N 3.14Å |
| 683 | L | 68.1 | Low | 67.1 | Low | 13 Ų | 13 | 49.3 Ų | 49.3 | 7% | 0.068 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -91.5 | 149.9 | 179.6 | -63.2 | 171.5 | 0 | 0 | 0 | 111.5 | L680 K681 K703 I707 R756 | L680-L683 HydrophobicContact CD2-CD1 4.4Å; L680-L683 WeakPolarHBondContact O-CB 3.35Å; L680-L683 PolarHBondContact O-N 3.05Å; K681-L683 VanDerWaalsContact C-N 3.29Å; K681-L683 PolarHBondContact O-N 3.39Å; L683-K703 HydrophobicContact CD2-CB 4.37Å; L683-K703 HydrophobicContact CD2-CD 4.14Å; L683-I707 HydrophobicContact CD1-CD1 4.01Å; L683-I707 HydrophobicContact CD1-CG1 3.71Å; L683-R756 WeakPolarHBondContact O-CD 3.33Å; L683-R756 PolarHBondContact O-NE 2.94Å |
| 684 | P | 66.1 | Low | 65 | Low | 51 Ų | 51 | 54 Ų | 54 | 33% | 0.331 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 163.2 | 168.5 | 30.4 | -33.6 | 0 | 0 | 0 | 111.2 | Q688 L689 | P684-Q688 HydrophobicContact CB-CB 4.4Å; P684-L689 HydrophobicContact CG-CD2 3.58Å; P684-L689 HydrophobicContact CG-CG 3.9Å |
| 685 | P | 70.6 | Confident | 63 | Low | 30 Ų | 30 | 57.8 Ų | 57.8 | 20% | 0.195 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -50.5 | 143.9 | 172.9 | -24.7 | 33.8 | 0 | 0 | 0 | 111.9 | E687 Q688 L755 | P685-E687 PolarHBondContact O-N 3.49Å; P685-Q688 PolarHBondContact O-N 2.99Å; P685-L755 WeakPolarHBondContact CA-O 3.24Å |
| 686 | F | 69.5 | Low | 61.2 | Low | 28 Ų | 28 | 60.9 Ų | 60.9 | 12% | 0.123 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -49.5 | -43.2 | -165.9 | 173 | -106.7 | 0 | 0 | 0 | 113.1 | Q688 L689 I707 L755 H758 P759 | F686-Q688 PolarHBondContact O-N 3.41Å; F686-L689 WeakPolarHBondContact O-CB 3.35Å; F686-L689 PolarHBondContact O-N 3.4Å; F686-I707 HydrophobicContact CD2-CG2 4.14Å; F686-I707 HydrophobicContact CE2-CG2 4.46Å; F686-L755 PolarHBondContact N-O 2.86Å; F686-H758 HydrophobicContact CD2-CB 4.22Å; F686-H758 HydrophobicContact CE2-CB 3.78Å; F686-H758 AromaticContact CE2-CD2 3.2Å; F686-H758 WeakPolarHBondContact CE2-CD2 3.46Å; F686-H758 AromaticContact CE2-CG 3.72Å; F686-H758 HydrophobicContact CZ-CB 4.21Å; F686-H758 AromaticContact CZ-CD2 3.06Å; F686-H758 WeakPolarHBondContact CZ-CD2 3.36Å; F686-H758 AromaticContact CZ-CG 3.71Å; F686-H758 AromaticContact CZ-NE2 3.65Å; F686-P759 HydrophobicContact CD1-CG 4.16Å; F686-P759 HydrophobicContact CE1-CG 3.91Å |
| 687 | E | 60.9 | Low | 59.3 | Low | 23 Ų | 23 | 65.9 Ų | 65.9 | 11% | 0.107 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -75.1 | -22.8 | -174.3 | -104.3 | 178.6 | -156 | 0 | 0 | 115 | P685 L689 C690 D786 C842 Q844 | P685-E687 PolarHBondContact O-N 3.49Å; E687-L689 PolarHBondContact O-N 2.93Å; E687-C690 PolarHBondContact O-N 2.94Å; E687-D786 WeakPolarHBondContact OE2-CB 3.45Å; E687-C842 HydrophobicContact CB-CB 4.49Å; E687-Q844 VanDerWaalsContact CB-NE2 3.25Å; E687-Q844 PolarHBondContact O-NE2 3.42Å; E687-Q844 VanDerWaalsContact OE2-CD 3.25Å; E687-Q844 PolarHBondContact OE2-OE1 3.32Å |
| 688 | Q | 61.3 | Low | 57.4 | Low | 93 Ų | 93 | 72.9 Ų | 72.9 | 44% | 0.435 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -73.4 | -15.1 | 174.4 | -69.9 | -176.5 | -10 | 0 | 0 | 112.8 | P684 P685 F686 C690 | P684-Q688 HydrophobicContact CB-CB 4.4Å; P685-Q688 PolarHBondContact O-N 2.99Å; F686-Q688 PolarHBondContact O-N 3.41Å; Q688-C690 VanDerWaalsContact C-N 3.32Å |
| 689 | L | 54.5 | Low | 55.7 | Low | 37 Ų | 37 | 74.9 Ų | 74.9 | 19% | 0.194 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -75.5 | -22.4 | 175.4 | -67.7 | 163.9 | 0 | 0 | 0 | 112.6 | P684 F686 E687 I707 | P684-L689 HydrophobicContact CG-CD2 3.58Å; P684-L689 HydrophobicContact CG-CG 3.9Å; F686-L689 WeakPolarHBondContact O-CB 3.35Å; F686-L689 PolarHBondContact O-N 3.4Å; E687-L689 PolarHBondContact O-N 2.93Å; L689-I707 HydrophobicContact CD1-CD1 3.36Å |
| 690 | C | 52.6 | Low | 54.3 | Low | 88 Ų | 88 | 75 Ų | 75 | 60% | 0.595 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -87.9 | -18.2 | -174.5 | -66.2 | 0 | 0 | 0 | 0 | 113.7 | E687 Q688 | E687-C690 PolarHBondContact O-N 2.94Å; Q688-C690 VanDerWaalsContact C-N 3.32Å |
| 691 | T | 47.4 | Very low | 53 | Low | 88 Ų | 88 | 78.8 Ų | 78.8 | 54% | 0.54 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -106.2 | -8.2 | -164.8 | 51 | 0 | 0 | 0 | 0 | 115.8 | G693 | T691-G693 PolarHBondContact O-N 3.07Š|
| 692 | N | 40.1 | Very low | 51.5 | Low | 100 Ų | 100 | 76.6 Ų | 76.6 | 54% | 0.535 | 46% | 0.456 | S | S | . | . | trans | -92.6 | 82.1 | 176.5 | -77.2 | -29.1 | 0 | 0 | 0 | 112.6 | S694 | N692-S694 PolarHBondContact O-N 3.07Š| ||
| 693 | G | 40.2 | Very low | 50.6 | Low | 90 Ų | 90 | 78 Ų | 78 | 93% | 0.928 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 24.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | T691 | T691-G693 PolarHBondContact O-N 3.07Š|
| 694 | S | 40.3 | Very low | 49.9 | Very low | 109 Ų | 109 | 81.3 Ų | 81.3 | 76% | 0.762 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132 | 5.6 | -174.8 | 57.6 | 0 | 0 | 0 | 0 | 115.5 | N692 | N692-S694 PolarHBondContact O-N 3.07Š|
| 695 | Q | 39.5 | Very low | 49.4 | Very low | 118 Ų | 118 | 82.7 Ų | 82.7 | 55% | 0.551 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -100.2 | 138.1 | 167 | -75.2 | -177 | -13.1 | 0 | 0 | 110.3 | V697 I700 | Q695-V697 PolarHBondContact O-N 3.25Å; Q695-I700 HydrophobicContact CB-CD1 4.38Å |
| 696 | S | 36.9 | Very low | 48.8 | Very low | 77 Ų | 77 | 82.3 Ų | 82.3 | 54% | 0.538 | 47% | 0.466 | S | S | . | . | trans | -53.8 | 128.8 | -175 | 73.4 | 0 | 0 | 0 | 0 | 110.7 | H698 E699 | S696-H698 PolarHBondContact O-N 3.01Å; S696-E699 PolarHBondContact O-N 3.38Å | ||
| 697 | V | 41 | Very low | 48.6 | Very low | 109 Ų | 109 | 81.2 Ų | 81.2 | 66% | 0.661 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -49.3 | -21.7 | -177.8 | 176.4 | 0 | 0 | 0 | 0 | 112.9 | Q695 | Q695-V697 PolarHBondContact O-N 3.25Å |
| 698 | H | 42.6 | Very low | 49.1 | Very low | 164 Ų | 164 | 85.8 Ų | 85.8 | 76% | 0.759 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -73 | -29.6 | 177.6 | -98 | -63.5 | 0 | 0 | 0 | 115.9 | S696 | S696-H698 PolarHBondContact O-N 3.01Å |
| 699 | E | 40 | Very low | 49.7 | Very low | 119 Ų | 119 | 81.5 Ų | 81.5 | 56% | 0.556 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -81.8 | -34.5 | 179.5 | -78.7 | -171.5 | 146.7 | 0 | 0 | 112.4 | S696 S702 | S696-E699 PolarHBondContact O-N 3.38Å; E699-S702 PolarHBondContact O-N 2.94Å; E699-S702 PolarHBondContact O-OG 3.31Å |
| 700 | I | 43.1 | Very low | 50.9 | Low | 41 Ų | 41 | 82.3 Ų | 82.3 | 21% | 0.21 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -67.3 | -42.3 | -179.6 | -62.9 | 171.8 | 0 | 0 | 0 | 110.7 | Q695 S702 K703 Q704 | Q695-I700 HydrophobicContact CB-CD1 4.38Å; I700-S702 VanDerWaalsContact C-N 3.26Å; I700-S702 PolarHBondContact O-N 3.36Å; I700-K703 PolarHBondContact O-N 2.98Å; I700-Q704 HydrophobicContact CG2-CG 3.97Å; I700-Q704 WeakPolarHBondContact O-CG 3.29Å; I700-Q704 PolarHBondContact O-N 2.91Å |
| 701 | N | 47.7 | Very low | 52.1 | Low | 81 Ų | 81 | 82 Ų | 82 | 43% | 0.433 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.8 | -31.1 | 177.6 | -73.1 | -6.8 | 0 | 0 | 0 | 113.2 | K703 | N701-K703 VanDerWaalsContact C-N 3.35Å |
| 702 | S | 46.9 | Very low | 53.6 | Low | 62 Ų | 62 | 84 Ų | 84 | 43% | 0.434 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -73.6 | -25.2 | 179.5 | 73.9 | 0 | 0 | 0 | 0 | 113.8 | E699 I700 | E699-S702 PolarHBondContact O-N 2.94Å; E699-S702 PolarHBondContact O-OG 3.31Å; I700-S702 VanDerWaalsContact C-N 3.26Å; I700-S702 PolarHBondContact O-N 3.36Å |
| 703 | K | 52.7 | Low | 55.7 | Low | 118 Ų | 118 | 79.2 Ų | 79.2 | 51% | 0.513 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -96.2 | -31.2 | 179.1 | -69.4 | -177.5 | 179.4 | 177.4 | 0 | 112.6 | L683 I700 N701 N705 F706 | L683-K703 HydrophobicContact CD2-CB 4.37Å; L683-K703 HydrophobicContact CD2-CD 4.14Å; I700-K703 PolarHBondContact O-N 2.98Å; N701-K703 VanDerWaalsContact C-N 3.35Å; K703-N705 VanDerWaalsContact C-N 3.26Å; K703-N705 PolarHBondContact O-N 3.36Å; K703-F706 PolarHBondContact O-N 3.05Å; K703-F706 VanDerWaalsContact O-N 3.15Å |
| 704 | Q | 53.9 | Low | 57.8 | Low | 82 Ų | 82 | 75 Ų | 75 | 38% | 0.383 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59 | -34.7 | 178.2 | -81.8 | -177.6 | -13.1 | 0 | 0 | 113.2 | I700 F706 I707 | I700-Q704 HydrophobicContact CG2-CG 3.97Å; I700-Q704 WeakPolarHBondContact O-CG 3.29Å; I700-Q704 PolarHBondContact O-N 2.91Å; Q704-F706 PolarHBondContact O-N 3.06Å; Q704-F706 VanDerWaalsContact O-N 3.11Å; Q704-I707 PolarHBondContact O-N 3.49Å |
| 705 | N | 56.3 | Low | 59.8 | Low | 79 Ų | 79 | 75.6 Ų | 75.6 | 42% | 0.422 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -11.8 | 179.4 | -67.7 | -1.1 | 0 | 0 | 0 | 114.2 | P651 K703 | P651-N705 HydrophobicContact CG-CB 3.61Å; K703-N705 VanDerWaalsContact C-N 3.26Å; K703-N705 PolarHBondContact O-N 3.36Å |
| 706 | F | 58.5 | Low | 61.9 | Low | 22 Ų | 22 | 74.4 Ų | 74.4 | 10% | 0.096 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -5.1 | 173.5 | -72.2 | -87.7 | 0 | 0 | 0 | 113.5 | R646 P651 I654 W655 K703 Q704 | R646-F706 HydrophobicContact CB-CZ 4.37Å; P651-F706 HydrophobicContact CB-CD1 4.2Å; P651-F706 HydrophobicContact CB-CD2 4.29Å; P651-F706 HydrophobicContact CB-CE1 3.73Å; P651-F706 HydrophobicContact CB-CE2 3.84Å; P651-F706 HydrophobicContact CB-CG 4.47Å; P651-F706 HydrophobicContact CB-CZ 3.56Å; P651-F706 HydrophobicContact CG-CE2 4.29Å; P651-F706 HydrophobicContact CG-CZ 4.45Å; I654-F706 HydrophobicContact CD1-CE1 3.78Å; I654-F706 HydrophobicContact CD1-CZ 4.46Å; W655-F706 AromaticContact CZ2-CD1 3.96Å; W655-F706 HydrophobicContact CZ2-CD1 3.96Å; K703-F706 PolarHBondContact O-N 3.05Å; K703-F706 VanDerWaalsContact O-N 3.15Å; Q704-F706 PolarHBondContact O-N 3.06Å; Q704-F706 VanDerWaalsContact O-N 3.11Å |
| 707 | I | 63.7 | Low | 64.1 | Low | 6 Ų | 6 | 70.7 Ų | 70.7 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -27.8 | -176.9 | -56 | 175.7 | 0 | 0 | 0 | 111.5 | L683 F686 L689 Q704 L709 R756 H758 | L683-I707 HydrophobicContact CD1-CD1 4.01Å; L683-I707 HydrophobicContact CD1-CG1 3.71Å; F686-I707 HydrophobicContact CD2-CG2 4.14Å; F686-I707 HydrophobicContact CE2-CG2 4.46Å; L689-I707 HydrophobicContact CD1-CD1 3.36Å; Q704-I707 PolarHBondContact O-N 3.49Å; I707-L709 PolarHBondContact O-N 2.94Å; I707-L709 VanDerWaalsContact O-N 3.15Å; I707-R756 WeakPolarHBondContact CG2-O 3.33Å; I707-H758 HydrophobicContact CG2-CB 4.09Å |
| 708 | Q | 71.9 | Confident | 66.2 | Low | 118 Ų | 118 | 65.8 Ų | 65.8 | 55% | 0.551 | 33% | 0.332 | S | S | * | . | trans | -85.7 | 79.4 | 175.9 | -74.1 | -177.3 | -8.9 | 0 | 0 | 111.1 | ||||
| 709 | L | 74.7 | Confident | 68.1 | Low | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | trans | -79.3 | 145.4 | 171.7 | -72.2 | 161.8 | 0 | 0 | 0 | 110.5 | W655 T676 L680 I707 M713 T714 L717 L757 C761 | W655-L709 HydrophobicContact CD2-CD2 3.95Å; W655-L709 HydrophobicContact CE3-CD2 3.74Å; W655-L709 HydrophobicContact CH2-CD2 3.5Å; W655-L709 HydrophobicContact CZ2-CD2 3.67Å; W655-L709 HydrophobicContact CZ3-CD2 3.54Å; T676-L709 HydrophobicContact CG2-CD1 4.21Å; T676-L709 HydrophobicContact CG2-CD2 4.36Å; L680-L709 HydrophobicContact CD1-CD1 4.34Å; I707-L709 PolarHBondContact O-N 2.94Å; I707-L709 VanDerWaalsContact O-N 3.15Å; L709-M713 HydrophobicContact CD2-CE 4.25Å; L709-M713 HydrophobicContact CD2-SD 3.88Å; L709-T714 VanDerWaalsContact CB-OG1 3.24Å; L709-T714 WeakPolarHBondContact CB-OG1 3.37Å; L709-T714 PolarHBondContact O-OG1 3.4Å; L709-L717 HydrophobicContact CD1-CD2 3.99Å; L709-L757 HydrophobicContact CD1-CD2 3.72Å; L709-C761 PolarHBondContact O-SG 3.3Å | ||
| 710 | P | 78.4 | Confident | 70.2 | Confident | 53 Ų | 53 | 56 Ų | 56 | 34% | 0.344 | 29% | 0.287 | S | S | . | . | trans | -55 | 142.7 | 169.9 | -24.5 | 33.6 | 0 | 0 | 0 | 111.1 | D712 M713 T714 | P710-D712 PolarHBondContact O-N 3.44Å; P710-M713 HydrophobicContact CB-CB 4.34Å; P710-M713 PolarHBondContact O-N 3.36Å; P710-T714 WeakPolarHBondContact O-CB 3.39Å; P710-T714 PolarHBondContact O-N 3.42Å; P710-T714 PolarHBondContact O-OG1 2.95Å | ||
| 711 | P | 77.7 | Confident | 71.9 | Confident | 81 Ų | 81 | 54.2 Ų | 54.2 | 53% | 0.526 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.5 | -37.5 | -177.2 | -25.1 | 33 | 0 | 0 | 0 | 113.3 | T714 K715 | P711-T714 PolarHBondContact O-N 3.12Å; P711-K715 WeakPolarHBondContact O-CB 3.47Å; P711-K715 PolarHBondContact O-N 3.28Å |
| 712 | D | 80 | Confident | 73.2 | Confident | 130 Ų | 130 | 51.4 Ų | 51.4 | 70% | 0.695 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -65 | -48.7 | 178.8 | -64.5 | -24.4 | 0 | 0 | 0 | 111.5 | P710 T714 K715 E716 | P710-D712 PolarHBondContact O-N 3.44Å; D712-T714 VanDerWaalsContact C-N 3.29Å; D712-T714 PolarHBondContact O-N 3.12Å; D712-K715 PolarHBondContact O-N 3.34Å; D712-E716 PolarHBondContact O-N 3.5Å |
| 713 | M | 83.5 | Confident | 74.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 176.3 | -174.6 | 175.3 | -179.7 | 0 | 0 | 111.5 | W655 Y659 L672 F673 L709 P710 E716 L717 | W655-M713 HydrophobicContact CD2-SD 4.39Å; W655-M713 HydrophobicContact CE3-CE 3.5Å; W655-M713 HydrophobicContact CE3-SD 3.42Å; W655-M713 HydrophobicContact CH2-CE 4.45Å; W655-M713 HydrophobicContact CZ3-CE 3.28Å; W655-M713 HydrophobicContact CZ3-SD 3.82Å; Y659-M713 HydrophobicContact CD1-SD 4.24Å; Y659-M713 HydrophobicContact CD2-CE 4.13Å; Y659-M713 HydrophobicContact CD2-CG 4.3Å; Y659-M713 HydrophobicContact CD2-SD 4.09Å; Y659-M713 HydrophobicContact CE1-CB 4.07Å; Y659-M713 HydrophobicContact CE1-CG 4.32Å; Y659-M713 HydrophobicContact CE2-CG 4.08Å; Y659-M713 HydrophobicContact CE2-SD 4.46Å; Y659-M713 HydrophobicContact CG-CE 4.44Å; Y659-M713 HydrophobicContact CG-SD 3.96Å; L672-M713 HydrophobicContact CD2-CE 3.82Å; F673-M713 HydrophobicContact CD1-CE 4.23Å; F673-M713 HydrophobicContact CE1-CE 4.01Å; F673-M713 HydrophobicContact CE1-CG 4.15Å; L709-M713 HydrophobicContact CD2-CE 4.25Å; L709-M713 HydrophobicContact CD2-SD 3.88Å; P710-M713 HydrophobicContact CB-CB 4.34Å; P710-M713 PolarHBondContact O-N 3.36Å; M713-E716 PolarHBondContact O-N 3.28Å; M713-L717 VanDerWaalsContact O-CB 3.31Å; M713-L717 WeakPolarHBondContact O-CB 3.45Å; M713-L717 PolarHBondContact O-N 3.3Å |
| 714 | T | 83.6 | Confident | 74.5 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 177.9 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | L709 P710 P711 D712 L717 I718 L757 C761 L762 | L709-T714 VanDerWaalsContact CB-OG1 3.24Å; L709-T714 WeakPolarHBondContact CB-OG1 3.37Å; L709-T714 PolarHBondContact O-OG1 3.4Å; P710-T714 WeakPolarHBondContact O-CB 3.39Å; P710-T714 PolarHBondContact O-N 3.42Å; P710-T714 PolarHBondContact O-OG1 2.95Å; P711-T714 PolarHBondContact O-N 3.12Å; D712-T714 VanDerWaalsContact C-N 3.29Å; D712-T714 PolarHBondContact O-N 3.12Å; T714-L717 PolarHBondContact O-N 2.91Å; T714-I718 HydrophobicContact CG2-CD1 4.01Å; T714-I718 VanDerWaalsContact O-CG1 3.3Å; T714-I718 WeakPolarHBondContact O-CG1 3.22Å; T714-I718 PolarHBondContact O-N 3.5Å; T714-L757 HydrophobicContact CG2-CD1 3.71Å; T714-L757 HydrophobicContact CG2-CD2 4.32Å; T714-C761 HydrophobicContact CG2-CB 4.19Å; T714-C761 WeakPolarHBondContact CG2-O 3.42Å; T714-L762 HydrophobicContact CG2-CD2 3.97Å |
| 715 | K | 83.6 | Confident | 74.2 | Confident | 123 Ų | 123 | 53.5 Ų | 53.5 | 54% | 0.535 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 176.1 | -174.9 | 179.2 | 178.5 | -179.9 | 0 | 111.8 | P711 D712 I718 N719 | P711-K715 WeakPolarHBondContact O-CB 3.47Å; P711-K715 PolarHBondContact O-N 3.28Å; D712-K715 PolarHBondContact O-N 3.34Å; K715-I718 PolarHBondContact O-N 3.43Å; K715-N719 WeakPolarHBondContact O-CB 3.41Å; K715-N719 VanDerWaalsContact O-CG 3.3Å; K715-N719 PolarHBondContact O-N 3.47Å; K715-N719 PolarHBondContact O-ND2 2.9Å |
| 716 | E | 82.8 | Confident | 73.6 | Confident | 92 Ų | 92 | 56.2 Ų | 56.2 | 43% | 0.43 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.1 | -39.8 | 176 | -72.3 | -161.5 | 158.6 | 0 | 0 | 112.6 | Y659 F673 D712 M713 N719 W720 | Y659-E716 PolarHBondContact OH-OE2 3.28Å; F673-E716 HydrophobicContact CZ-CB 3.92Å; D712-E716 PolarHBondContact O-N 3.5Å; M713-E716 PolarHBondContact O-N 3.28Å; E716-N719 PolarHBondContact O-N 2.8Å; E716-W720 WeakPolarHBondContact O-CB 3.48Å; E716-W720 PolarHBondContact O-N 2.84Å |
| 717 | L | 84.4 | Confident | 72.6 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 174.8 | 177.8 | 66.6 | 0 | 0 | 0 | 111.6 | F673 T676 L680 L709 M713 T714 W720 C721 | F673-L717 HydrophobicContact CB-CD1 3.79Å; F673-L717 HydrophobicContact CD1-CB 4.2Å; F673-L717 HydrophobicContact CD1-CD1 3.78Å; F673-L717 HydrophobicContact CE1-CB 4.34Å; F673-L717 HydrophobicContact CG-CD1 4.04Å; T676-L717 HydrophobicContact CG2-CD2 4.16Å; L680-L717 HydrophobicContact CD1-CD2 3.84Å; L709-L717 HydrophobicContact CD1-CD2 3.99Å; M713-L717 VanDerWaalsContact O-CB 3.31Å; M713-L717 WeakPolarHBondContact O-CB 3.45Å; M713-L717 PolarHBondContact O-N 3.3Å; T714-L717 PolarHBondContact O-N 2.91Å; L717-W720 HydrophobicContact CD1-CE3 4.24Å; L717-W720 PolarHBondContact O-N 3Å; L717-C721 PolarHBondContact O-N 3.27Å; L717-C721 PolarHBondContact O-SG 3.3Å |
| 718 | I | 84 | Confident | 71.3 | Confident | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 177.3 | -70.5 | 167.3 | 0 | 0 | 0 | 110.6 | T714 K715 W720 C721 L722 T750 L754 L757 L762 Y766 L770 | T714-I718 HydrophobicContact CG2-CD1 4.01Å; T714-I718 VanDerWaalsContact O-CG1 3.3Å; T714-I718 WeakPolarHBondContact O-CG1 3.22Å; T714-I718 PolarHBondContact O-N 3.5Å; K715-I718 PolarHBondContact O-N 3.43Å; I718-W720 VanDerWaalsContact C-N 3.33Å; I718-W720 PolarHBondContact O-N 3.35Å; I718-C721 WeakPolarHBondContact O-CB 3.05Å; I718-C721 PolarHBondContact O-N 2.93Å; I718-L722 HydrophobicContact CG2-CD1 4.25Å; I718-L722 WeakPolarHBondContact O-CG 3.42Å; I718-L722 PolarHBondContact O-N 3.03Å; I718-T750 HydrophobicContact CG2-CG2 4.2Å; I718-L754 HydrophobicContact CD1-CD2 3.91Å; I718-L757 HydrophobicContact CD1-CD1 4.29Å; I718-L762 HydrophobicContact CD1-CD2 3.63Å; I718-Y766 HydrophobicContact CG2-CE1 4.47Å; I718-L770 HydrophobicContact CG2-CD2 3.64Å |
| 719 | N | 82.8 | Confident | 69.4 | Low | 48 Ų | 48 | 68.4 Ų | 68.4 | 26% | 0.257 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 175.6 | -75.5 | -27.3 | 0 | 0 | 0 | 111.7 | K715 E716 C721 L722 H723 Y766 | K715-N719 WeakPolarHBondContact O-CB 3.41Å; K715-N719 VanDerWaalsContact O-CG 3.3Å; K715-N719 PolarHBondContact O-N 3.47Å; K715-N719 PolarHBondContact O-ND2 2.9Å; E716-N719 PolarHBondContact O-N 2.8Å; N719-C721 VanDerWaalsContact C-N 3.34Å; N719-C721 PolarHBondContact O-N 3Å; N719-L722 PolarHBondContact O-N 3.17Å; N719-L722 VanDerWaalsContact O-N 3.11Å; N719-H723 WeakPolarHBondContact O-CB 3.17Å; N719-H723 PolarHBondContact O-CD2 3.35Å; N719-H723 PolarHBondContact O-N 2.93Å; N719-Y766 PolarHBondContact OD1-OH 3.28Å |
| 720 | W | 83.8 | Confident | 67.1 | Low | 29 Ų | 29 | 72.4 Ų | 72.4 | 11% | 0.11 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.9 | -42 | 176.6 | 174.9 | 91.2 | 0 | 0 | 0 | 111.1 | S670 F673 N674 E716 L717 I718 L722 H723 Q724 | S670-W720 PolarHBondContact OG-NE1 3.25Å; F673-W720 HydrophobicContact CB-CD2 3.73Å; F673-W720 HydrophobicContact CB-CE3 3.9Å; F673-W720 HydrophobicContact CB-CG 4.16Å; F673-W720 HydrophobicContact CB-CZ2 4.36Å; F673-W720 HydrophobicContact CB-CZ3 4.34Å; F673-W720 HydrophobicContact CD2-CB 4.02Å; F673-W720 AromaticContact CD2-CD1 3.75Å; F673-W720 HydrophobicContact CD2-CD2 4.19Å; F673-W720 AromaticContact CD2-CG 3.7Å; F673-W720 HydrophobicContact CD2-CG 3.7Å; F673-W720 HydrophobicContact CE2-CB 4.42Å; F673-W720 HydrophobicContact CE2-CG 4.48Å; F673-W720 HydrophobicContact CG-CD2 4.32Å; F673-W720 HydrophobicContact CG-CG 4.24Å; N674-W720 WeakPolarHBondContact OD1-CH2 3.45Å; N674-W720 WeakPolarHBondContact OD1-CZ2 3.18Å; E716-W720 WeakPolarHBondContact O-CB 3.48Å; E716-W720 PolarHBondContact O-N 2.84Å; L717-W720 HydrophobicContact CD1-CE3 4.24Å; L717-W720 PolarHBondContact O-N 3Å; I718-W720 VanDerWaalsContact C-N 3.33Å; I718-W720 PolarHBondContact O-N 3.35Å; W720-L722 PolarHBondContact O-N 3.48Å; W720-H723 PolarHBondContact O-N 2.99Å; W720-Q724 HydrophobicContact CZ2-CG 4.48Å; W720-Q724 PolarHBondContact O-N 3.45Å |
| 721 | C | 80.1 | Confident | 64.6 | Low | 4 Ų | 4 | 77.1 Ų | 77.1 | 3% | 0.027 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.8 | -28.9 | 174.6 | -68.2 | 0 | 0 | 0 | 0 | 113 | L717 I718 N719 R749 T750 | L717-C721 PolarHBondContact O-N 3.27Å; L717-C721 PolarHBondContact O-SG 3.3Å; I718-C721 WeakPolarHBondContact O-CB 3.05Å; I718-C721 PolarHBondContact O-N 2.93Å; N719-C721 VanDerWaalsContact C-N 3.34Å; N719-C721 PolarHBondContact O-N 3Å; C721-R749 HydrophobicContact CB-CB 4.25Å; C721-T750 WeakPolarHBondContact CB-OG1 2.97Å |
| 722 | L | 74.7 | Confident | 62.4 | Low | 21 Ų | 21 | 81.6 Ų | 81.6 | 11% | 0.11 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -88.3 | -32.4 | -179.2 | -69.2 | 164.5 | 0 | 0 | 0 | 114.1 | I718 N719 W720 R746 T750 L770 | I718-L722 HydrophobicContact CG2-CD1 4.25Å; I718-L722 WeakPolarHBondContact O-CG 3.42Å; I718-L722 PolarHBondContact O-N 3.03Å; N719-L722 PolarHBondContact O-N 3.17Å; N719-L722 VanDerWaalsContact O-N 3.11Å; W720-L722 PolarHBondContact O-N 3.48Å; L722-R746 WeakPolarHBondContact O-CD 3.27Å; L722-T750 HydrophobicContact CD2-CG2 4.12Å; L722-T750 WeakPolarHBondContact CD2-OG1 3.23Å; L722-T750 HydrophobicContact CG-CG2 4.28Å; L722-T750 WeakPolarHBondContact CG-OG1 3.32Å; L722-L770 HydrophobicContact CD1-CD1 3.55Å; L722-L770 HydrophobicContact CD1-CD2 3.97Å; L722-L770 HydrophobicContact CD1-CG 4.21Å |
| 723 | H | 68.9 | Low | 59.8 | Low | 137 Ų | 137 | 83.1 Ų | 83.1 | 63% | 0.634 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -110.9 | -2.2 | -163.6 | -71 | -60.2 | 0 | 0 | 0 | 115.8 | N719 W720 D725 | N719-H723 WeakPolarHBondContact O-CB 3.17Å; N719-H723 PolarHBondContact O-CD2 3.35Å; N719-H723 PolarHBondContact O-N 2.93Å; W720-H723 PolarHBondContact O-N 2.99Å; H723-D725 PolarHBondContact O-N 3.4Å |
| 724 | Q | 58.3 | Low | 57.2 | Low | 53 Ų | 53 | 90.5 Ų | 90.5 | 25% | 0.248 | 48% | 0.477 | C | S | . | . | trans | -66.7 | 128.2 | -176.4 | -138.9 | -172.9 | 3.3 | 0 | 0 | 112.6 | S670 W720 R746 | S670-Q724 PolarHBondContact OG-NE2 3.42Å; W720-Q724 HydrophobicContact CZ2-CG 4.48Å; W720-Q724 PolarHBondContact O-N 3.45Å; Q724-R746 PolarHBondContact O-NE 3.1Å; Q724-R746 PolarHBondContact O-NH2 3.48Å | ||
| 725 | D | 46.3 | Very low | 54.7 | Low | 117 Ų | 117 | 96.7 Ų | 96.7 | 63% | 0.626 | 51% | 0.514 | S | S | * | . | trans | -79.6 | 131.2 | 171.1 | -79.6 | -32.9 | 0 | 0 | 0 | 110.3 | H723 T727 | H723-D725 PolarHBondContact O-N 3.4Å; D725-T727 PolarHBondContact O-N 2.91Å | ||
| 726 | D | 44.2 | Very low | 51.9 | Low | 135 Ų | 135 | 97.5 Ų | 97.5 | 72% | 0.722 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -67.2 | 46.9 | -173.8 | -61.4 | -66.4 | 0 | 0 | 0 | 114.7 | R746 | D726-R746 IonicContact OD2-CZ 2.91Å; D726-R746 IonicContact OD2-NE 3.54Å; D726-R746 IonicContact OD2-NH2 3.99Å; D726-R746 PolarHBondContact OD2-NH2 3.42Å |
| 727 | T | 36.8 | Very low | 49.3 | Very low | 119 Ų | 119 | 97.6 Ų | 97.6 | 73% | 0.73 | 54% | 0.536 | S | S | * | . | trans | -106.4 | 4.7 | -172.9 | 51.8 | 0 | 0 | 0 | 0 | 115.6 | D725 | D725-T727 PolarHBondContact O-N 2.91Š| ||
| 728 | L | 36.3 | Very low | 46.5 | Very low | 132 Ų | 132 | 106.6 Ų | 106.6 | 69% | 0.691 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -133.6 | 11.7 | -174.4 | -76.6 | 174.2 | 0 | 0 | 0 | 118.3 | ||
| 729 | E | 32.5 | Very low | 43.6 | Very low | 152 Ų | 152 | 112.3 Ų | 112.3 | 71% | 0.71 | 62% | 0.619 | S | S | * | * | trans | -129.9 | 78.5 | 171.5 | -74 | -177.6 | 175.8 | 0 | 0 | 111.8 | ||||
| 730 | A | 26.2 | Very low | 41 | Very low | 87 Ų | 87 | 114.1 Ų | 114.1 | 72% | 0.719 | 64% | 0.635 | S | S | * | * | trans | -99 | 124.3 | 149.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 731 | N | 26.6 | Very low | 38.7 | Very low | 153 Ų | 153 | 119.6 Ų | 119.6 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | trans | 90.3 | 93.4 | 179.7 | -48.8 | -45.3 | 0 | 0 | 0 | 115.3 | ||||
| 732 | L | 31 | Very low | 36.6 | Very low | 174 Ų | 174 | 125.9 Ų | 125.9 | 91% | 0.911 | 69% | 0.69 | S | S | * | * | trans | -171.2 | 78.8 | 138.8 | -96.5 | 153.9 | 0 | 0 | 0 | 108 | D734 | L732-D734 PolarHBondContact O-N 3.39Š| ||
| 733 | D | 26.5 | Very low | 35.3 | Very low | 163 Ų | 163 | 126.6 Ų | 126.6 | 87% | 0.872 | 69% | 0.694 | S | S | * | * | trans | -77.2 | 100.1 | 160 | -73.4 | -36.3 | 0 | 0 | 0 | 107.3 | ||||
| 734 | D | 28 | Very low | 34.3 | Very low | 154 Ų | 154 | 126.5 Ų | 126.5 | 82% | 0.824 | 70% | 0.698 | S | S | * | * | trans | -165.8 | 139.7 | 152.4 | -107 | -25.8 | 0 | 0 | 0 | 113.2 | L732 | L732-D734 PolarHBondContact O-N 3.39Š| ||
| 735 | V | 30.9 | Very low | 34.5 | Very low | 131 Ų | 131 | 127.6 Ų | 127.6 | 79% | 0.794 | 71% | 0.706 | S | S | * | * | trans | 87.6 | 90.8 | 166.5 | -158 | 0 | 0 | 0 | 0 | 118.5 | S737 | V735-S737 PolarHBondContact O-N 3.31Š| ||
| 736 | N | 26 | Very low | 35.6 | Very low | 140 Ų | 140 | 126.2 Ų | 126.2 | 75% | 0.749 | 69% | 0.692 | S | S | * | * | trans | -50.7 | 121.6 | 151.5 | -80.7 | -40.8 | 0 | 0 | 0 | 112.7 | ||||
| 737 | S | 27.3 | Very low | 37 | Very low | 95 Ų | 95 | 123.2 Ų | 123.2 | 66% | 0.664 | 67% | 0.672 | S | S | * | * | trans | -127.4 | 123.2 | 149 | 78 | 0 | 0 | 0 | 0 | 109.5 | V735 | V735-S737 PolarHBondContact O-N 3.31Š| ||
| 738 | M | 24.5 | Very low | 38.8 | Very low | 189 Ų | 189 | 118.1 Ų | 118.1 | 93% | 0.931 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -48.3 | 143 | 172.1 | -80.9 | 171.3 | 72.3 | 0 | 0 | 111.5 | ||
| 739 | C | 24.8 | Very low | 40.8 | Very low | 125 Ų | 125 | 114.2 Ų | 114.2 | 85% | 0.845 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 82.4 | 48.3 | -163.2 | -58.4 | 0 | 0 | 0 | 0 | 114.9 | Y741 | C739-Y741 PolarHBondContact O-N 3.38Š|
| 740 | S | 28 | Very low | 43.3 | Very low | 87 Ų | 87 | 107 Ų | 107 | 61% | 0.608 | 58% | 0.584 | S | S | * | * | trans | -85.4 | 97.4 | 173.2 | 64.9 | 0 | 0 | 0 | 0 | 111.6 | N742 | S740-N742 PolarHBondContact O-N 3.42Š| ||
| 741 | Y | 35.1 | Very low | 46 | Very low | 143 Ų | 143 | 103.6 Ų | 103.6 | 56% | 0.561 | 55% | 0.553 | S | S | * | * | trans | -55 | 129.2 | 144.1 | -71.4 | -96.6 | 0 | 0 | 0 | 106.6 | C739 L743 | C739-Y741 PolarHBondContact O-N 3.38Å; Y741-L743 PolarHBondContact O-N 3.13Å | ||
| 742 | N | 36.4 | Very low | 48.7 | Very low | 136 Ų | 136 | 97.3 Ų | 97.3 | 73% | 0.727 | 52% | 0.52 | S | S | * | . | trans | -64.9 | 87.5 | 178.9 | -133.5 | -14 | 0 | 0 | 0 | 108.1 | S740 N744 D745 | S740-N742 PolarHBondContact O-N 3.42Å; N742-N744 PolarHBondContact O-N 3.32Å; N742-D745 PolarHBondContact O-N 3.38Å; N742-D745 VanDerWaalsContact O-N 3.14Å | ||
| 743 | L | 46.5 | Very low | 51.2 | Low | 36 Ų | 36 | 89 Ų | 89 | 19% | 0.188 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 7.7 | -169.5 | -87.4 | 158.5 | 0 | 0 | 0 | 114.3 | F677 K681 Y741 S748 R749 V752 | F677-L743 HydrophobicContact CZ-CD2 4.34Å; K681-L743 HydrophobicContact CD-CD1 4.25Å; K681-L743 VanDerWaalsContact NZ-CD1 3.31Å; Y741-L743 PolarHBondContact O-N 3.13Å; L743-S748 WeakPolarHBondContact CA-OG 3.15Å; L743-R749 HydrophobicContact CD2-CG 4.28Å; L743-R749 PolarHBondContact O-NE 2.87Å; L743-V752 HydrophobicContact CD2-CG2 4.29Å |
| 744 | N | 47.6 | Very low | 54.1 | Low | 136 Ų | 136 | 81.4 Ų | 81.4 | 73% | 0.727 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -8.8 | 166.4 | -77.1 | 2 | 0 | 0 | 0 | 112.5 | N742 | N742-N744 PolarHBondContact O-N 3.32Š|
| 745 | D | 62.3 | Low | 56.7 | Low | 76 Ų | 76 | 75.2 Ų | 75.2 | 41% | 0.406 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -84.5 | 116.3 | 171.4 | -166.9 | -2.6 | 0 | 0 | 0 | 109.7 | N742 K747 S748 R749 | N742-D745 PolarHBondContact O-N 3.38Å; N742-D745 VanDerWaalsContact O-N 3.14Å; D745-K747 PolarHBondContact O-N 3.14Å; D745-K747 PolarHBondContact OD1-N 3.21Å; D745-S748 WeakPolarHBondContact O-CB 3.43Å; D745-S748 PolarHBondContact O-N 2.98Å; D745-S748 PolarHBondContact O-OG 3.24Å; D745-R749 PolarHBondContact O-N 2.98Å |
| 746 | R | 70.4 | Confident | 59.2 | Low | 88 Ų | 88 | 71 Ų | 71 | 33% | 0.332 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -46.2 | -33.9 | 176.8 | -59 | 179.4 | -169.5 | -173.5 | -1.2 | 111.9 | L722 Q724 D726 T750 | L722-R746 WeakPolarHBondContact O-CD 3.27Å; Q724-R746 PolarHBondContact O-NE 3.1Å; Q724-R746 PolarHBondContact O-NH2 3.48Å; D726-R746 IonicContact OD2-CZ 2.91Å; D726-R746 IonicContact OD2-NE 3.54Å; D726-R746 IonicContact OD2-NH2 3.99Å; D726-R746 PolarHBondContact OD2-NH2 3.42Å; R746-T750 PolarHBondContact O-N 3.47Å; R746-T750 PolarHBondContact O-OG1 2.91Å |
| 747 | K | 74 | Confident | 61.9 | Low | 72 Ų | 72 | 64.4 Ų | 64.4 | 31% | 0.313 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 176.5 | -69.8 | 179.8 | 173.9 | -160.5 | 0 | 113.6 | D745 T750 E751 N774 L776 | D745-K747 PolarHBondContact O-N 3.14Å; D745-K747 PolarHBondContact OD1-N 3.21Å; K747-T750 PolarHBondContact O-N 2.86Å; K747-E751 WeakPolarHBondContact O-CB 3.49Å; K747-E751 PolarHBondContact O-N 3.45Å; K747-N774 VanDerWaalsContact CD-O 3.26Å; K747-N774 WeakPolarHBondContact CD-O 3.31Å; K747-N774 VanDerWaalsContact CE-O 3.22Å; K747-N774 WeakPolarHBondContact CE-O 3.27Å; K747-N774 HydrophobicContact CG-CB 4.4Å; K747-N774 PolarHBondContact NZ-O 3Å; K747-L776 HydrophobicContact CB-CD2 3.6Å; K747-L776 HydrophobicContact CG-CD2 4.27Å; K747-L776 VanDerWaalsContact O-CD2 3.26Å; K747-L776 WeakPolarHBondContact O-CD2 3.42Å |
| 748 | S | 74.8 | Confident | 64.4 | Low | 11 Ų | 11 | 62.5 Ų | 62.5 | 8% | 0.077 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.6 | -34.9 | -179.3 | 68.1 | 0 | 0 | 0 | 0 | 112.7 | L743 D745 E751 V752 | L743-S748 WeakPolarHBondContact CA-OG 3.15Å; D745-S748 WeakPolarHBondContact O-CB 3.43Å; D745-S748 PolarHBondContact O-N 2.98Å; D745-S748 PolarHBondContact O-OG 3.24Å; S748-E751 PolarHBondContact O-N 3.31Å; S748-V752 WeakPolarHBondContact O-CB 3.07Å; S748-V752 VanDerWaalsContact O-CG2 3.28Å; S748-V752 WeakPolarHBondContact O-CG2 3.29Å; S748-V752 PolarHBondContact O-N 2.92Å |
| 749 | R | 78.3 | Confident | 66.9 | Low | 50 Ų | 50 | 55.2 Ų | 55.2 | 19% | 0.189 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 174.1 | -64.9 | -175.2 | 179.9 | -167.5 | -3.7 | 110.6 | F677 C721 L743 D745 V752 C753 | F677-R749 HydrophobicContact CE1-CG 4.21Å; F677-R749 HydrophobicContact CE2-CB 3.95Å; F677-R749 HydrophobicContact CE2-CG 4.4Å; F677-R749 WeakPolarHBondContact CE2-O 3.26Å; F677-R749 HydrophobicContact CZ-CB 3.84Å; F677-R749 HydrophobicContact CZ-CG 3.8Å; C721-R749 HydrophobicContact CB-CB 4.25Å; L743-R749 HydrophobicContact CD2-CG 4.28Å; L743-R749 PolarHBondContact O-NE 2.87Å; D745-R749 PolarHBondContact O-N 2.98Å; R749-V752 PolarHBondContact O-N 3.48Å; R749-C753 PolarHBondContact O-N 3.45Å; R749-C753 PolarHBondContact O-SG 2.93Å |
| 750 | T | 84 | Confident | 69.5 | Low | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 176.8 | -55.6 | 0 | 0 | 0 | 0 | 112.2 | I718 C721 L722 R746 K747 C753 L754 L770 L776 | I718-T750 HydrophobicContact CG2-CG2 4.2Å; C721-T750 WeakPolarHBondContact CB-OG1 2.97Å; L722-T750 HydrophobicContact CD2-CG2 4.12Å; L722-T750 WeakPolarHBondContact CD2-OG1 3.23Å; L722-T750 HydrophobicContact CG-CG2 4.28Å; L722-T750 WeakPolarHBondContact CG-OG1 3.32Å; R746-T750 PolarHBondContact O-N 3.47Å; R746-T750 PolarHBondContact O-OG1 2.91Å; K747-T750 PolarHBondContact O-N 2.86Å; T750-C753 WeakPolarHBondContact O-CB 3.26Å; T750-C753 PolarHBondContact O-N 3.49Å; T750-L754 HydrophobicContact CG2-CD1 4.05Å; T750-L754 HydrophobicContact CG2-CG 4.45Å; T750-L754 WeakPolarHBondContact O-CG 3.4Å; T750-L754 PolarHBondContact O-N 3.25Å; T750-L770 HydrophobicContact CG2-CD2 4.02Å; T750-L776 HydrophobicContact CG2-CD1 3.91Å |
| 751 | E | 84.1 | Confident | 71.9 | Confident | 16 Ų | 16 | 49.3 Ų | 49.3 | 8% | 0.075 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 176.1 | -172.8 | 159.7 | -120.7 | 0 | 0 | 111.8 | K747 S748 C753 L754 L755 L776 D778 A779 | K747-E751 WeakPolarHBondContact O-CB 3.49Å; K747-E751 PolarHBondContact O-N 3.45Å; S748-E751 PolarHBondContact O-N 3.31Å; E751-C753 VanDerWaalsContact C-N 3.33Å; E751-C753 PolarHBondContact O-N 3.46Å; E751-L754 PolarHBondContact O-N 3.38Å; E751-L755 HydrophobicContact CG-CD1 4.18Å; E751-L755 VanDerWaalsContact O-CG 3.27Å; E751-L755 WeakPolarHBondContact O-CG 3.39Å; E751-L755 PolarHBondContact O-N 2.89Å; E751-L755 VanDerWaalsContact O-N 3.11Å; E751-L776 HydrophobicContact CB-CD1 4.36Å; E751-L776 HydrophobicContact CB-CD2 4.2Å; E751-L776 WeakPolarHBondContact OE1-CA 3.49Å; E751-D778 PolarHBondContact OE1-N 3.28Å; E751-A779 HydrophobicContact CG-CB 4.04Å; E751-A779 PolarHBondContact OE1-N 3.21Å |
| 752 | V | 83 | Confident | 74.1 | Confident | 22 Ų | 22 | 43.6 Ų | 43.6 | 13% | 0.133 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.6 | -41.2 | 176.1 | 165.9 | 0 | 0 | 0 | 0 | 112.2 | F677 K681 L743 S748 R749 R756 | F677-V752 HydrophobicContact CE2-CB 4.38Å; F677-V752 HydrophobicContact CE2-CG1 4.12Å; F677-V752 HydrophobicContact CZ-CG1 4.28Å; K681-V752 HydrophobicContact CB-CG1 4.46Å; L743-V752 HydrophobicContact CD2-CG2 4.29Å; S748-V752 WeakPolarHBondContact O-CB 3.07Å; S748-V752 VanDerWaalsContact O-CG2 3.28Å; S748-V752 WeakPolarHBondContact O-CG2 3.29Å; S748-V752 PolarHBondContact O-N 2.92Å; R749-V752 PolarHBondContact O-N 3.48Å; V752-R756 WeakPolarHBondContact O-CD 3.45Å; V752-R756 WeakPolarHBondContact O-CG 3.5Å; V752-R756 PolarHBondContact O-NH1 3.38Å |
| 753 | C | 83.5 | Confident | 76.4 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.1 | -51.9 | 175.2 | -75 | 0 | 0 | 0 | 0 | 111.6 | F677 R749 T750 E751 L755 R756 L757 | F677-C753 WeakPolarHBondContact CD2-SG 3.21Å; R749-C753 PolarHBondContact O-N 3.45Å; R749-C753 PolarHBondContact O-SG 2.93Å; T750-C753 WeakPolarHBondContact O-CB 3.26Å; T750-C753 PolarHBondContact O-N 3.49Å; E751-C753 VanDerWaalsContact C-N 3.33Å; E751-C753 PolarHBondContact O-N 3.46Å; C753-L755 VanDerWaalsContact C-N 3.28Å; C753-L755 PolarHBondContact O-N 3.49Å; C753-R756 PolarHBondContact O-N 3.16Å; C753-R756 VanDerWaalsContact O-N 3.08Å; C753-L757 HydrophobicContact CB-CD1 4.26Å; C753-L757 WeakPolarHBondContact O-CD1 3.23Å; C753-L757 VanDerWaalsContact O-CG 3.25Å; C753-L757 WeakPolarHBondContact O-CG 3.3Å; C753-L757 PolarHBondContact O-N 3.46Å; C753-L757 VanDerWaalsContact O-N 3.09Å |
| 754 | L | 86 | Confident | 78.2 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.1 | -34.4 | -175.3 | -72.3 | 173.6 | 0 | 0 | 0 | 112.9 | I718 T750 E751 R756 L762 A767 C771 L776 A779 | I718-L754 HydrophobicContact CD1-CD2 3.91Å; T750-L754 HydrophobicContact CG2-CD1 4.05Å; T750-L754 HydrophobicContact CG2-CG 4.45Å; T750-L754 WeakPolarHBondContact O-CG 3.4Å; T750-L754 PolarHBondContact O-N 3.25Å; E751-L754 PolarHBondContact O-N 3.38Å; L754-R756 PolarHBondContact O-N 3.15Å; L754-L762 HydrophobicContact CD2-CD1 4.25Å; L754-L762 HydrophobicContact CD2-CD2 3.83Å; L754-A767 HydrophobicContact CD2-CB 4.27Å; L754-C771 WeakPolarHBondContact CD1-SG 3.4Å; L754-L776 HydrophobicContact CD1-CD1 4.46Å; L754-A779 HydrophobicContact CB-CB 4.2Å; L754-A779 HydrophobicContact CD1-CB 4.33Å |
| 755 | L | 83.8 | Confident | 80 | Confident | 24 Ų | 24 | 43 Ų | 43 | 13% | 0.126 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -12.9 | 177.3 | -68.7 | 170.8 | 0 | 0 | 0 | 114.5 | P685 F686 E751 C753 H782 | P685-L755 WeakPolarHBondContact CA-O 3.24Å; F686-L755 PolarHBondContact N-O 2.86Å; E751-L755 HydrophobicContact CG-CD1 4.18Å; E751-L755 VanDerWaalsContact O-CG 3.27Å; E751-L755 WeakPolarHBondContact O-CG 3.39Å; E751-L755 PolarHBondContact O-N 2.89Å; E751-L755 VanDerWaalsContact O-N 3.11Å; C753-L755 VanDerWaalsContact C-N 3.28Å; C753-L755 PolarHBondContact O-N 3.49Å; L755-H782 HydrophobicContact CD2-CB 3.54Å |
| 756 | R | 83.2 | Confident | 81.1 | Confident | 43 Ų | 43 | 43.4 Ų | 43.4 | 16% | 0.162 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | -16.1 | -169.4 | -67.9 | 174.5 | 174.2 | 64.1 | 5.1 | 114.4 | L680 L683 I707 V752 C753 L754 | L680-R756 WeakPolarHBondContact O-CD 3.49Å; L683-R756 WeakPolarHBondContact O-CD 3.33Å; L683-R756 PolarHBondContact O-NE 2.94Å; I707-R756 WeakPolarHBondContact CG2-O 3.33Å; V752-R756 WeakPolarHBondContact O-CD 3.45Å; V752-R756 WeakPolarHBondContact O-CG 3.5Å; V752-R756 PolarHBondContact O-NH1 3.38Å; C753-R756 PolarHBondContact O-N 3.16Å; C753-R756 VanDerWaalsContact O-N 3.08Å; L754-R756 PolarHBondContact O-N 3.15Å |
| 757 | L | 81.8 | Confident | 81.8 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -74.8 | 145.4 | 176.4 | -71.6 | 165.5 | 0 | 0 | 0 | 110.7 | L680 L709 T714 I718 C753 L762 | L680-L757 HydrophobicContact CD1-CD2 4.19Å; L680-L757 HydrophobicContact CD2-CD2 4.38Å; L709-L757 HydrophobicContact CD1-CD2 3.72Å; T714-L757 HydrophobicContact CG2-CD1 3.71Å; T714-L757 HydrophobicContact CG2-CD2 4.32Å; I718-L757 HydrophobicContact CD1-CD1 4.29Å; C753-L757 HydrophobicContact CB-CD1 4.26Å; C753-L757 WeakPolarHBondContact O-CD1 3.23Å; C753-L757 VanDerWaalsContact O-CG 3.25Å; C753-L757 WeakPolarHBondContact O-CG 3.3Å; C753-L757 PolarHBondContact O-N 3.46Å; C753-L757 VanDerWaalsContact O-N 3.09Å; L757-L762 HydrophobicContact CB-CD1 4.3Å; L757-L762 HydrophobicContact CB-CD2 4.4Å; L757-L762 HydrophobicContact CB-CG 4.38Å; L757-L762 HydrophobicContact CD1-CD2 3.95Å |
| 758 | H | 79.8 | Confident | 82.4 | Confident | 54 Ų | 54 | 36.8 Ų | 36.8 | 25% | 0.25 | 19% | 0.193 | C | C | . | . | trans | -66.8 | 138.5 | 174.2 | -173.3 | -78.2 | 0 | 0 | 0 | 109.9 | F686 I707 S760 C761 | F686-H758 HydrophobicContact CD2-CB 4.22Å; F686-H758 HydrophobicContact CE2-CB 3.78Å; F686-H758 AromaticContact CE2-CD2 3.2Å; F686-H758 WeakPolarHBondContact CE2-CD2 3.46Å; F686-H758 AromaticContact CE2-CG 3.72Å; F686-H758 HydrophobicContact CZ-CB 4.21Å; F686-H758 AromaticContact CZ-CD2 3.06Å; F686-H758 WeakPolarHBondContact CZ-CD2 3.36Å; F686-H758 AromaticContact CZ-CG 3.71Å; F686-H758 AromaticContact CZ-NE2 3.65Å; I707-H758 HydrophobicContact CG2-CB 4.09Å; H758-S760 PolarHBondContact CE1-OG 3.33Å; H758-S760 VanDerWaalsContact ND1-CB 3.33Å; H758-S760 WeakPolarHBondContact ND1-CB 3.42Å; H758-S760 PolarHBondContact ND1-N 3.38Å; H758-S760 PolarHBondContact ND1-OG 3.11Å; H758-S760 PolarHBondContact O-N 3.41Å; H758-S760 VanDerWaalsContact O-N 3.08Å; H758-C761 WeakPolarHBondContact O-CB 3.33Å; H758-C761 PolarHBondContact O-N 3.4Å | ||
| 759 | P | 76.8 | Confident | 82.9 | Confident | 36 Ų | 36 | 43.6 Ų | 43.6 | 23% | 0.234 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -55.7 | -31.1 | -177.4 | -27.3 | 32.7 | 0 | 0 | 0 | 114.2 | F686 C761 L762 I787 | F686-P759 HydrophobicContact CD1-CG 4.16Å; F686-P759 HydrophobicContact CE1-CG 3.91Å; P759-C761 PolarHBondContact O-N 3.14Å; P759-L762 PolarHBondContact O-N 3.08Å; P759-I787 HydrophobicContact CB-CD1 4.42Å; P759-I787 HydrophobicContact CG-CD1 4.17Å; P759-I787 HydrophobicContact CG-CG1 4.38Å |
| 760 | S | 79.2 | Confident | 83.2 | Confident | 79 Ų | 79 | 42 Ų | 42 | 55% | 0.552 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -65.8 | -16.6 | 176.7 | 70.5 | 0 | 0 | 0 | 0 | 114.6 | H758 | H758-S760 PolarHBondContact CE1-OG 3.33Å; H758-S760 VanDerWaalsContact ND1-CB 3.33Å; H758-S760 WeakPolarHBondContact ND1-CB 3.42Å; H758-S760 PolarHBondContact ND1-N 3.38Å; H758-S760 PolarHBondContact ND1-OG 3.11Å; H758-S760 PolarHBondContact O-N 3.41Å; H758-S760 VanDerWaalsContact O-N 3.08Å |
| 761 | C | 78.9 | Confident | 83.4 | Confident | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -88.8 | -8.2 | 178.9 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | L709 T714 H758 P759 | L709-C761 PolarHBondContact O-SG 3.3Å; T714-C761 HydrophobicContact CG2-CB 4.19Å; T714-C761 WeakPolarHBondContact CG2-O 3.42Å; H758-C761 WeakPolarHBondContact O-CB 3.33Å; H758-C761 PolarHBondContact O-N 3.4Å; P759-C761 PolarHBondContact O-N 3.14Å |
| 762 | L | 82 | Confident | 83.4 | Confident | 23 Ų | 23 | 44.9 Ų | 44.9 | 12% | 0.12 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -112.5 | 139.6 | -170.5 | -63.4 | 173.4 | 0 | 0 | 0 | 112.6 | T714 I718 L754 L757 P759 L764 | T714-L762 HydrophobicContact CG2-CD2 3.97Å; I718-L762 HydrophobicContact CD1-CD2 3.63Å; L754-L762 HydrophobicContact CD2-CD1 4.25Å; L754-L762 HydrophobicContact CD2-CD2 3.83Å; L757-L762 HydrophobicContact CB-CD1 4.3Å; L757-L762 HydrophobicContact CB-CD2 4.4Å; L757-L762 HydrophobicContact CB-CG 4.38Å; L757-L762 HydrophobicContact CD1-CD2 3.95Å; P759-L762 PolarHBondContact O-N 3.08Å; L762-L764 PolarHBondContact O-N 2.92Å |
| 763 | D | 84.4 | Confident | 83.4 | Confident | 105 Ų | 105 | 48 Ų | 48 | 56% | 0.561 | 25% | 0.245 | S | C | * | . | trans | -83.5 | 102.8 | 160.5 | 179.6 | -14.6 | 0 | 0 | 0 | 108.7 | N765 Y766 A767 | D763-N765 VanDerWaalsContact C-N 3.3Å; D763-N765 PolarHBondContact O-N 3.25Å; D763-N765 PolarHBondContact OD1-N 3.14Å; D763-Y766 PolarHBondContact O-N 3.23Å; D763-Y766 PolarHBondContact OD1-N 3.07Å; D763-A767 WeakPolarHBondContact O-CB 3.47Å; D763-A767 PolarHBondContact O-N 3.12Å | ||
| 764 | L | 84.1 | Confident | 83.3 | Confident | 52 Ų | 52 | 49.8 Ų | 49.8 | 27% | 0.272 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.4 | -36.6 | -173.5 | -66.7 | 173.8 | 0 | 0 | 0 | 113.3 | L762 A767 V768 L783 I787 L788 | L762-L764 PolarHBondContact O-N 2.92Å; L764-A767 PolarHBondContact O-N 3.43Å; L764-V768 WeakPolarHBondContact O-CB 3.41Å; L764-V768 WeakPolarHBondContact O-CG2 3.14Å; L764-V768 PolarHBondContact O-N 2.69Å; L764-L783 HydrophobicContact CD2-CD2 3.92Å; L764-I787 HydrophobicContact CD1-CG2 4.1Å; L764-I787 HydrophobicContact CD2-CD1 4.41Å; L764-I787 HydrophobicContact CD2-CG2 4.01Å; L764-L788 HydrophobicContact CD1-CD2 4.43Å |
| 765 | N | 84.7 | Confident | 83.1 | Confident | 140 Ų | 140 | 50.7 Ų | 50.7 | 75% | 0.749 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -67.9 | -40.6 | 179.8 | -72.1 | -46.9 | 0 | 0 | 0 | 111.3 | D763 K769 | D763-N765 VanDerWaalsContact C-N 3.3Å; D763-N765 PolarHBondContact O-N 3.25Å; D763-N765 PolarHBondContact OD1-N 3.14Å; N765-K769 WeakPolarHBondContact O-CB 3.38Å; N765-K769 PolarHBondContact O-N 3.2Å |
| 766 | Y | 85.2 | Confident | 83.2 | Confident | 83 Ų | 83 | 49.7 Ų | 49.7 | 33% | 0.325 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.2 | -46.9 | 174.1 | 176.1 | -103.1 | 0 | 0 | 0 | 110.9 | I718 N719 D763 V768 K769 L770 | I718-Y766 HydrophobicContact CG2-CE1 4.47Å; N719-Y766 PolarHBondContact OD1-OH 3.28Å; D763-Y766 PolarHBondContact O-N 3.23Å; D763-Y766 PolarHBondContact OD1-N 3.07Å; Y766-V768 PolarHBondContact O-N 2.91Å; Y766-K769 PolarHBondContact O-N 3.05Å; Y766-L770 HydrophobicContact CE1-CD2 4.19Å; Y766-L770 WeakPolarHBondContact O-CB 3.5Å; Y766-L770 PolarHBondContact O-N 3.17Å |
| 767 | A | 85.5 | Confident | 83.4 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 2% | 0.017 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.9 | -44.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L754 D763 L764 L770 C771 L783 | L754-A767 HydrophobicContact CD2-CB 4.27Å; D763-A767 WeakPolarHBondContact O-CB 3.47Å; D763-A767 PolarHBondContact O-N 3.12Å; L764-A767 PolarHBondContact O-N 3.43Å; A767-L770 WeakPolarHBondContact O-CB 3.37Å; A767-L770 PolarHBondContact O-N 3.42Å; A767-C771 PolarHBondContact O-N 2.94Å; A767-C771 PolarHBondContact O-SG 3.37Å; A767-L783 HydrophobicContact CB-CD1 3.85Å; A767-L783 HydrophobicContact CB-CD2 4.49Å |
| 768 | V | 87.3 | Confident | 83.5 | Confident | 20 Ų | 20 | 49.2 Ų | 49.2 | 12% | 0.121 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.3 | -48.2 | 178.3 | 165.9 | 0 | 0 | 0 | 0 | 111.4 | L764 Y766 L770 C771 W772 Y780 L783 Y784 | L764-V768 WeakPolarHBondContact O-CB 3.41Å; L764-V768 WeakPolarHBondContact O-CG2 3.14Å; L764-V768 PolarHBondContact O-N 2.69Å; Y766-V768 PolarHBondContact O-N 2.91Å; V768-L770 VanDerWaalsContact C-N 3.27Å; V768-L770 PolarHBondContact O-N 3.16Å; V768-C771 PolarHBondContact O-N 2.83Å; V768-W772 PolarHBondContact O-N 3.44Å; V768-Y780 HydrophobicContact CG1-CD2 4.38Å; V768-Y780 HydrophobicContact CG1-CE2 4Å; V768-L783 HydrophobicContact CG2-CB 4.07Å; V768-L783 HydrophobicContact CG2-CD1 3.9Å; V768-Y784 HydrophobicContact CG1-CE2 3.55Å; V768-Y784 HydrophobicContact CG2-CE2 4.14Å |
| 769 | K | 85.8 | Confident | 83.8 | Confident | 154 Ų | 154 | 46.7 Ų | 46.7 | 67% | 0.67 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -62.5 | -38.9 | 178.5 | -171.9 | 175.4 | -178 | 178.3 | 0 | 111.3 | N765 Y766 T773 | N765-K769 WeakPolarHBondContact O-CB 3.38Å; N765-K769 PolarHBondContact O-N 3.2Å; Y766-K769 PolarHBondContact O-N 3.05Å; K769-T773 HydrophobicContact CG-CG2 4.48Å; K769-T773 WeakPolarHBondContact O-CB 3.33Å; K769-T773 VanDerWaalsContact O-CG2 3.27Å; K769-T773 WeakPolarHBondContact O-CG2 3.48Å; K769-T773 PolarHBondContact O-N 2.87Å; K769-T773 PolarHBondContact O-OG1 3.17Å |
| 770 | L | 84.5 | Confident | 84.5 | Confident | 16 Ų | 16 | 45.1 Ų | 45.1 | 8% | 0.084 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.5 | -44.2 | 176 | -172.8 | 77 | 0 | 0 | 0 | 111.8 | I718 L722 T750 Y766 A767 V768 T773 N774 | I718-L770 HydrophobicContact CG2-CD2 3.64Å; L722-L770 HydrophobicContact CD1-CD1 3.55Å; L722-L770 HydrophobicContact CD1-CD2 3.97Å; L722-L770 HydrophobicContact CD1-CG 4.21Å; T750-L770 HydrophobicContact CG2-CD2 4.02Å; Y766-L770 HydrophobicContact CE1-CD2 4.19Å; Y766-L770 WeakPolarHBondContact O-CB 3.5Å; Y766-L770 PolarHBondContact O-N 3.17Å; A767-L770 WeakPolarHBondContact O-CB 3.37Å; A767-L770 PolarHBondContact O-N 3.42Å; V768-L770 VanDerWaalsContact C-N 3.27Å; V768-L770 PolarHBondContact O-N 3.16Å; L770-T773 WeakPolarHBondContact CA-OG1 3.37Å; L770-T773 PolarHBondContact O-OG1 3.21Å; L770-T773 VanDerWaalsContact O-OG1 3.06Å; L770-N774 WeakPolarHBondContact CD1-ND2 3.45Å; L770-N774 WeakPolarHBondContact O-CB 3.27Å; L770-N774 PolarHBondContact O-N 3.04Å; L770-N774 VanDerWaalsContact O-N 3.07Å; L770-N774 PolarHBondContact O-ND2 2.85Å |
| 771 | C | 87.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.7 | -47.2 | 178.3 | -66.9 | 0 | 0 | 0 | 0 | 111.4 | L754 A767 V768 N774 S775 L776 Y780 | L754-C771 WeakPolarHBondContact CD1-SG 3.4Å; A767-C771 PolarHBondContact O-N 2.94Å; A767-C771 PolarHBondContact O-SG 3.37Å; V768-C771 PolarHBondContact O-N 2.83Å; C771-N774 PolarHBondContact O-N 3.38Å; C771-S775 PolarHBondContact O-N 2.97Å; C771-L776 HydrophobicContact CB-CB 4.14Å; C771-L776 PolarHBondContact O-N 3.1Å; C771-Y780 HydrophobicContact CB-CD2 4.25Å |
| 772 | W | 85.2 | Confident | 85.3 | Confident | 77 Ų | 77 | 41.1 Ų | 41.1 | 29% | 0.292 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.9 | -47.9 | -179.7 | -171.7 | -101.8 | 0 | 0 | 0 | 112.6 | V768 N774 S775 F777 Y780 D797 | V768-W772 PolarHBondContact O-N 3.44Å; W772-N774 VanDerWaalsContact C-N 3.29Å; W772-N774 PolarHBondContact O-N 3.28Å; W772-S775 PolarHBondContact O-N 3.18Å; W772-F777 HydrophobicContact CE3-CE1 4.47Å; W772-F777 HydrophobicContact CZ3-CE1 4.11Å; W772-Y780 HydrophobicContact CB-CD2 4.25Å; W772-Y780 HydrophobicContact CB-CE2 4.13Å; W772-Y780 HydrophobicContact CD2-CE2 4.31Å; W772-Y780 HydrophobicContact CE3-CD2 4.02Å; W772-Y780 HydrophobicContact CE3-CE1 4.2Å; W772-Y780 AromaticContact CE3-CE2 3.6Å; W772-Y780 HydrophobicContact CE3-CE2 3.6Å; W772-Y780 HydrophobicContact CE3-CG 4.46Å; W772-Y780 AromaticContact CE3-CZ 3.74Å; W772-Y780 HydrophobicContact CZ3-CE1 4.26Å; W772-Y780 HydrophobicContact CZ3-CE2 4.41Å; W772-D797 HydrophobicContact CH2-CB 3.62Å; W772-D797 HydrophobicContact CZ2-CB 4.4Å; W772-D797 HydrophobicContact CZ3-CB 3.89Å |
| 773 | T | 82.9 | Confident | 85.6 | Confident | 86 Ų | 86 | 40 Ų | 40 | 53% | 0.528 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.8 | -35.2 | 179.9 | 49.6 | 0 | 0 | 0 | 0 | 112.5 | K769 L770 | K769-T773 HydrophobicContact CG-CG2 4.48Å; K769-T773 WeakPolarHBondContact O-CB 3.33Å; K769-T773 VanDerWaalsContact O-CG2 3.27Å; K769-T773 WeakPolarHBondContact O-CG2 3.48Å; K769-T773 PolarHBondContact O-N 2.87Å; K769-T773 PolarHBondContact O-OG1 3.17Å; L770-T773 WeakPolarHBondContact CA-OG1 3.37Å; L770-T773 PolarHBondContact O-OG1 3.21Å; L770-T773 VanDerWaalsContact O-OG1 3.06Å |
| 774 | N | 80.4 | Confident | 85.8 | Confident | 38 Ų | 38 | 36.9 Ų | 36.9 | 20% | 0.203 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -91.7 | -2.5 | 179.5 | -69.4 | -65.6 | 0 | 0 | 0 | 114.6 | K747 L770 C771 W772 L776 | K747-N774 VanDerWaalsContact CD-O 3.26Å; K747-N774 WeakPolarHBondContact CD-O 3.31Å; K747-N774 VanDerWaalsContact CE-O 3.22Å; K747-N774 WeakPolarHBondContact CE-O 3.27Å; K747-N774 HydrophobicContact CG-CB 4.4Å; K747-N774 PolarHBondContact NZ-O 3Å; L770-N774 WeakPolarHBondContact CD1-ND2 3.45Å; L770-N774 WeakPolarHBondContact O-CB 3.27Å; L770-N774 PolarHBondContact O-N 3.04Å; L770-N774 VanDerWaalsContact O-N 3.07Å; L770-N774 PolarHBondContact O-ND2 2.85Å; C771-N774 PolarHBondContact O-N 3.38Å; W772-N774 VanDerWaalsContact C-N 3.29Å; W772-N774 PolarHBondContact O-N 3.28Å; N774-L776 HydrophobicContact CB-CD1 4.34Å; N774-L776 HydrophobicContact CB-CD2 4.36Å; N774-L776 HydrophobicContact CB-CG 3.96Å |
| 775 | S | 83 | Confident | 86 | Confident | 21 Ų | 21 | 34.4 Ų | 34.4 | 15% | 0.147 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 35 | -177.4 | -35.8 | 0 | 0 | 0 | 0 | 114 | C771 W772 F777 R820 | C771-S775 PolarHBondContact O-N 2.97Å; W772-S775 PolarHBondContact O-N 3.18Å; S775-F777 PolarHBondContact O-N 3.42Å; S775-R820 VanDerWaalsContact OG-CD 3.32Å; S775-R820 WeakPolarHBondContact OG-CD 3.49Å; S775-R820 PolarHBondContact OG-NE 2.91Å; S775-R820 PolarHBondContact OG-NH2 3.27Å |
| 776 | L | 86.1 | Confident | 85.9 | Confident | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | trans | -87.9 | 74.2 | 175.2 | -49.3 | -177.8 | 0 | 0 | 0 | 108.9 | K747 T750 E751 L754 C771 N774 A779 Y780 | K747-L776 HydrophobicContact CB-CD2 3.6Å; K747-L776 HydrophobicContact CG-CD2 4.27Å; K747-L776 VanDerWaalsContact O-CD2 3.26Å; K747-L776 WeakPolarHBondContact O-CD2 3.42Å; T750-L776 HydrophobicContact CG2-CD1 3.91Å; E751-L776 HydrophobicContact CB-CD1 4.36Å; E751-L776 HydrophobicContact CB-CD2 4.2Å; E751-L776 WeakPolarHBondContact OE1-CA 3.49Å; L754-L776 HydrophobicContact CD1-CD1 4.46Å; C771-L776 HydrophobicContact CB-CB 4.14Å; C771-L776 PolarHBondContact O-N 3.1Å; N774-L776 HydrophobicContact CB-CD1 4.34Å; N774-L776 HydrophobicContact CB-CD2 4.36Å; N774-L776 HydrophobicContact CB-CG 3.96Å; L776-A779 HydrophobicContact CB-CB 4.22Å; L776-Y780 VanDerWaalsContact O-CB 3.25Å; L776-Y780 WeakPolarHBondContact O-CB 3.37Å; L776-Y780 PolarHBondContact O-N 3.48Å | ||
| 777 | F | 86.5 | Confident | 85.8 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 1% | 0.013 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -70.3 | -31.3 | -170.8 | -63.7 | -61.8 | 0 | 0 | 0 | 112.9 | W772 S775 Y780 L781 L798 R820 K823 C824 C827 | W772-F777 HydrophobicContact CE3-CE1 4.47Å; W772-F777 HydrophobicContact CZ3-CE1 4.11Å; S775-F777 PolarHBondContact O-N 3.42Å; F777-Y780 WeakPolarHBondContact O-CB 3.5Å; F777-Y780 PolarHBondContact O-N 3.15Å; F777-L781 WeakPolarHBondContact O-CG 3.37Å; F777-L781 PolarHBondContact O-N 2.87Å; F777-L798 HydrophobicContact CD1-CD2 3.9Å; F777-L798 HydrophobicContact CE1-CD2 4.05Å; F777-R820 HydrophobicContact CE2-CG 3.76Å; F777-R820 HydrophobicContact CZ-CG 4.03Å; F777-K823 HydrophobicContact CD2-CB 4.07Å; F777-K823 HydrophobicContact CE2-CB 4.46Å; F777-C824 HydrophobicContact CD2-CB 4.46Å; F777-C824 HydrophobicContact CE2-CB 3.91Å; F777-C824 HydrophobicContact CZ-CB 4.07Å; F777-C827 HydrophobicContact CB-CB 4.07Å; F777-C827 WeakPolarHBondContact CB-SG 3.44Å |
| 778 | D | 84.5 | Confident | 85.9 | Confident | 32 Ų | 32 | 29.8 Ų | 29.8 | 17% | 0.171 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.6 | -45.6 | 177.8 | -66.2 | -29.4 | 0 | 0 | 0 | 110.4 | E751 Y780 L781 H782 C827 F841 | E751-D778 PolarHBondContact OE1-N 3.28Å; D778-Y780 VanDerWaalsContact C-N 3.3Å; D778-Y780 PolarHBondContact O-N 3.35Å; D778-L781 PolarHBondContact O-N 3.02Å; D778-H782 WeakPolarHBondContact O-CB 3.2Å; D778-H782 PolarHBondContact O-N 3.36Å; D778-C827 PolarHBondContact OD1-SG 3.15Å; D778-F841 HydrophobicContact CB-CE1 4.38Å; D778-F841 HydrophobicContact CB-CZ 3.81Å |
| 779 | A | 86.4 | Confident | 85.9 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.4 | -34.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E751 L754 L776 H782 L783 | E751-A779 HydrophobicContact CG-CB 4.04Å; E751-A779 PolarHBondContact OE1-N 3.21Å; L754-A779 HydrophobicContact CB-CB 4.2Å; L754-A779 HydrophobicContact CD1-CB 4.33Å; L776-A779 HydrophobicContact CB-CB 4.22Å; A779-H782 PolarHBondContact O-N 3.26Å; A779-L783 VanDerWaalsContact O-CG 3.26Å; A779-L783 WeakPolarHBondContact O-CG 3.5Å; A779-L783 PolarHBondContact O-N 2.95Å |
| 780 | Y | 90.1 | Very high | 86 | Confident | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64 | -46.6 | 174.9 | -177.1 | -89.8 | 0 | 0 | 0 | 111.3 | V768 C771 W772 L776 F777 D778 L783 Y784 P794 D797 | V768-Y780 HydrophobicContact CG1-CD2 4.38Å; V768-Y780 HydrophobicContact CG1-CE2 4Å; C771-Y780 HydrophobicContact CB-CD2 4.25Å; W772-Y780 HydrophobicContact CB-CD2 4.25Å; W772-Y780 HydrophobicContact CB-CE2 4.13Å; W772-Y780 HydrophobicContact CD2-CE2 4.31Å; W772-Y780 HydrophobicContact CE3-CD2 4.02Å; W772-Y780 HydrophobicContact CE3-CE1 4.2Å; W772-Y780 AromaticContact CE3-CE2 3.6Å; W772-Y780 HydrophobicContact CE3-CE2 3.6Å; W772-Y780 HydrophobicContact CE3-CG 4.46Å; W772-Y780 AromaticContact CE3-CZ 3.74Å; W772-Y780 HydrophobicContact CZ3-CE1 4.26Å; W772-Y780 HydrophobicContact CZ3-CE2 4.41Å; L776-Y780 VanDerWaalsContact O-CB 3.25Å; L776-Y780 WeakPolarHBondContact O-CB 3.37Å; L776-Y780 PolarHBondContact O-N 3.48Å; F777-Y780 WeakPolarHBondContact O-CB 3.5Å; F777-Y780 PolarHBondContact O-N 3.15Å; D778-Y780 VanDerWaalsContact C-N 3.3Å; D778-Y780 PolarHBondContact O-N 3.35Å; Y780-L783 PolarHBondContact O-N 3.44Å; Y780-Y784 AromaticContact CD1-CD2 3.91Å; Y780-Y784 HydrophobicContact CD1-CD2 3.91Å; Y780-Y784 HydrophobicContact CD1-CE2 4.34Å; Y780-Y784 HydrophobicContact CD2-CD2 4.13Å; Y780-Y784 AromaticContact CD2-CE2 3.94Å; Y780-Y784 HydrophobicContact CD2-CE2 3.94Å; Y780-Y784 AromaticContact CE1-CD2 3.57Å; Y780-Y784 HydrophobicContact CE1-CD2 3.57Å; Y780-Y784 AromaticContact CE1-CE2 3.74Å; Y780-Y784 HydrophobicContact CE1-CE2 3.74Å; Y780-Y784 HydrophobicContact CE1-CG 4.48Å; Y780-Y784 AromaticContact CE2-CD2 3.86Å; Y780-Y784 HydrophobicContact CE2-CD2 3.86Å; Y780-Y784 AromaticContact CE2-CE2 3.31Å; Y780-Y784 HydrophobicContact CE2-CE2 3.31Å; Y780-Y784 HydrophobicContact CG-CD2 4.16Å; Y780-Y784 HydrophobicContact CG-CE2 4.42Å; Y780-Y784 AromaticContact CZ-CD2 3.53Å; Y780-Y784 AromaticContact CZ-CE2 3.16Å; Y780-Y784 WeakPolarHBondContact O-CD2 3.29Å; Y780-Y784 PolarHBondContact O-N 3.49Å; Y780-Y784 VanDerWaalsContact OH-CE2 3.28Å; Y780-Y784 WeakPolarHBondContact OH-CE2 3.37Å; Y780-P794 HydrophobicContact CD1-CB 4.48Å; Y780-P794 HydrophobicContact CE1-CB 3.87Å; Y780-D797 PolarHBondContact OH-OD2 3.24Å |
| 781 | L | 88 | Confident | 86.3 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.7 | -40.5 | 174.6 | -73 | -176 | 0 | 0 | 0 | 111.9 | F777 D778 Y784 T785 P794 L798 C827 L831 F841 | F777-L781 WeakPolarHBondContact O-CG 3.37Å; F777-L781 PolarHBondContact O-N 2.87Å; D778-L781 PolarHBondContact O-N 3.02Å; L781-Y784 PolarHBondContact O-N 3.5Å; L781-T785 WeakPolarHBondContact O-CB 3.26Å; L781-T785 PolarHBondContact O-N 2.92Å; L781-T785 PolarHBondContact O-OG1 3Å; L781-P794 HydrophobicContact CD2-CB 3.83Å; L781-P794 HydrophobicContact CD2-CG 4.49Å; L781-L798 HydrophobicContact CD2-CD1 4.44Å; L781-C827 HydrophobicContact CD1-CB 3.88Å; L781-L831 HydrophobicContact CD1-CB 4.45Å; L781-L831 HydrophobicContact CD2-CB 4.31Å; L781-L831 HydrophobicContact CD2-CD1 4.02Å; L781-L831 HydrophobicContact CD2-CD2 4.3Å; L781-L831 HydrophobicContact CD2-CG 4.45Å; L781-F841 HydrophobicContact CB-CB 4.32Å; L781-F841 HydrophobicContact CB-CD2 3.73Å; L781-F841 HydrophobicContact CB-CE2 4.13Å; L781-F841 HydrophobicContact CB-CG 3.97Å; L781-F841 HydrophobicContact CD1-CD2 3.77Å; L781-F841 HydrophobicContact CD1-CE2 3.89Å; L781-F841 HydrophobicContact CG-CD2 4.42Å |
| 782 | H | 86.5 | Confident | 86.3 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -58.7 | -49 | 174.7 | 178.4 | 58.2 | 0 | 0 | 0 | 111.8 | L755 D778 A779 Y784 D786 I787 F841 C842 | L755-H782 HydrophobicContact CD2-CB 3.54Å; D778-H782 WeakPolarHBondContact O-CB 3.2Å; D778-H782 PolarHBondContact O-N 3.36Å; A779-H782 PolarHBondContact O-N 3.26Å; H782-Y784 VanDerWaalsContact C-N 3.34Å; H782-Y784 PolarHBondContact O-N 3.16Å; H782-D786 WeakPolarHBondContact CA-OD2 3.48Å; H782-D786 IonicContact CE1-OD2 3.52Å; H782-D786 IonicContact CG-OD2 3.66Å; H782-D786 IonicContact ND1-OD2 2.87Å; H782-D786 PolarHBondContact ND1-OD2 2.9Å; H782-D786 WeakPolarHBondContact O-CA 3.49Å; H782-D786 VanDerWaalsContact O-CB 3.23Å; H782-D786 WeakPolarHBondContact O-CB 3.44Å; H782-D786 PolarHBondContact O-N 3.03Å; H782-I787 PolarHBondContact O-N 3.47Å; H782-F841 HydrophobicContact CB-CD1 4.19Å; H782-C842 PolarHBondContact ND1-SG 3.36Å |
| 783 | L | 88.4 | Confident | 86.5 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -61.3 | -40.7 | 178 | -69.7 | 171.4 | 0 | 0 | 0 | 112.3 | L764 A767 V768 A779 Y780 I787 L788 | L764-L783 HydrophobicContact CD2-CD2 3.92Å; A767-L783 HydrophobicContact CB-CD1 3.85Å; A767-L783 HydrophobicContact CB-CD2 4.49Å; V768-L783 HydrophobicContact CG2-CB 4.07Å; V768-L783 HydrophobicContact CG2-CD1 3.9Å; A779-L783 VanDerWaalsContact O-CG 3.26Å; A779-L783 WeakPolarHBondContact O-CG 3.5Å; A779-L783 PolarHBondContact O-N 2.95Å; Y780-L783 PolarHBondContact O-N 3.44Å; L783-I787 HydrophobicContact CD2-CD1 3.7Å; L783-I787 WeakPolarHBondContact O-CB 3.24Å; L783-L788 WeakPolarHBondContact O-CB 3.46Å; L783-L788 VanDerWaalsContact O-CG 3.3Å; L783-L788 WeakPolarHBondContact O-CG 3.42Å; L783-L788 PolarHBondContact O-N 3.29Å |
| 784 | Y | 90 | Very high | 86.9 | Confident | 39 Ų | 39 | 25.5 Ų | 25.5 | 15% | 0.153 | 13% | 0.132 | C | C | . | . | I | π-helix | trans | -79.5 | -46 | -178 | -89.6 | -79.2 | 0 | 0 | 0 | 114.1 | V768 Y780 L781 H782 L788 M789 D790 T793 | V768-Y784 HydrophobicContact CG1-CE2 3.55Å; V768-Y784 HydrophobicContact CG2-CE2 4.14Å; Y780-Y784 AromaticContact CD1-CD2 3.91Å; Y780-Y784 HydrophobicContact CD1-CD2 3.91Å; Y780-Y784 HydrophobicContact CD1-CE2 4.34Å; Y780-Y784 HydrophobicContact CD2-CD2 4.13Å; Y780-Y784 AromaticContact CD2-CE2 3.94Å; Y780-Y784 HydrophobicContact CD2-CE2 3.94Å; Y780-Y784 AromaticContact CE1-CD2 3.57Å; Y780-Y784 HydrophobicContact CE1-CD2 3.57Å; Y780-Y784 AromaticContact CE1-CE2 3.74Å; Y780-Y784 HydrophobicContact CE1-CE2 3.74Å; Y780-Y784 HydrophobicContact CE1-CG 4.48Å; Y780-Y784 AromaticContact CE2-CD2 3.86Å; Y780-Y784 HydrophobicContact CE2-CD2 3.86Å; Y780-Y784 AromaticContact CE2-CE2 3.31Å; Y780-Y784 HydrophobicContact CE2-CE2 3.31Å; Y780-Y784 HydrophobicContact CG-CD2 4.16Å; Y780-Y784 HydrophobicContact CG-CE2 4.42Å; Y780-Y784 AromaticContact CZ-CD2 3.53Å; Y780-Y784 AromaticContact CZ-CE2 3.16Å; Y780-Y784 WeakPolarHBondContact O-CD2 3.29Å; Y780-Y784 PolarHBondContact O-N 3.49Å; Y780-Y784 VanDerWaalsContact OH-CE2 3.28Å; Y780-Y784 WeakPolarHBondContact OH-CE2 3.37Å; L781-Y784 PolarHBondContact O-N 3.5Å; H782-Y784 VanDerWaalsContact C-N 3.34Å; H782-Y784 PolarHBondContact O-N 3.16Å; Y784-L788 HydrophobicContact CD1-CD1 4Å; Y784-L788 HydrophobicContact CE1-CD1 4.09Å; Y784-L788 HydrophobicContact CG-CD1 4.44Å; Y784-L788 CarbonylContact O-C 3.59Å; Y784-L788 VanDerWaalsContact O-C 3.31Å; Y784-L788 WeakPolarHBondContact O-CB 2.96Å; Y784-L788 PolarHBondContact O-N 3.48Å; Y784-M789 WeakPolarHBondContact O-CA 3.48Å; Y784-M789 PolarHBondContact O-N 3.3Å; Y784-D790 HydrophobicContact CD1-CB 4.23Å; Y784-D790 PolarHBondContact O-N 3.29Å; Y784-T793 HydrophobicContact CE1-CG2 4.05Å |
| 785 | T | 87.5 | Confident | 87.3 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | I | π-helix | trans | -90.5 | -37.9 | -171.3 | 64.8 | 0 | 0 | 0 | 0 | 113 | L781 F791 L831 F841 | L781-T785 WeakPolarHBondContact O-CB 3.26Å; L781-T785 PolarHBondContact O-N 2.92Å; L781-T785 PolarHBondContact O-OG1 3Å; T785-F791 HydrophobicContact CG2-CD1 3.97Å; T785-F791 HydrophobicContact CG2-CD2 4.35Å; T785-F791 HydrophobicContact CG2-CE1 3.81Å; T785-F791 HydrophobicContact CG2-CE2 4.19Å; T785-F791 HydrophobicContact CG2-CG 4.25Å; T785-F791 HydrophobicContact CG2-CZ 3.93Å; T785-L831 HydrophobicContact CG2-CD1 3.76Å; T785-F841 WeakPolarHBondContact OG1-CB 3.15Å; T785-F841 PolarHBondContact OG1-N 2.71Å; T785-F841 VanDerWaalsContact OG1-N 3.14Å |
| 786 | D | 83.7 | Confident | 87.6 | Confident | 4 Ų | 4 | 25.6 Ų | 25.6 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | I | π-helix | trans | -88.2 | -40.8 | -177.9 | -59 | -48.3 | 0 | 0 | 0 | 111.3 | E687 H782 M789 S840 F841 C842 | E687-D786 WeakPolarHBondContact OE2-CB 3.45Å; H782-D786 WeakPolarHBondContact CA-OD2 3.48Å; H782-D786 IonicContact CE1-OD2 3.52Å; H782-D786 IonicContact CG-OD2 3.66Å; H782-D786 IonicContact ND1-OD2 2.87Å; H782-D786 PolarHBondContact ND1-OD2 2.9Å; H782-D786 WeakPolarHBondContact O-CA 3.49Å; H782-D786 VanDerWaalsContact O-CB 3.23Å; H782-D786 WeakPolarHBondContact O-CB 3.44Å; H782-D786 PolarHBondContact O-N 3.03Å; D786-M789 WeakPolarHBondContact O-CE 3.31Å; D786-S840 WeakPolarHBondContact OD1-CB 3.47Å; D786-S840 PolarHBondContact OD1-OG 3.29Å; D786-F841 PolarHBondContact OD1-N 3.43Å; D786-F841 VanDerWaalsContact OD1-N 3.08Å; D786-C842 PolarHBondContact OD1-N 2.95Å; D786-C842 PolarHBondContact OD2-N 2.65Å; D786-C842 PolarHBondContact OD2-SG 3.07Å |
| 787 | I | 83 | Confident | 87.6 | Confident | 40 Ų | 40 | 27.7 Ų | 27.7 | 21% | 0.205 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -94.2 | -49.2 | -177.3 | -60 | 170 | 0 | 0 | 0 | 112.6 | P759 L764 H782 L783 | P759-I787 HydrophobicContact CB-CD1 4.42Å; P759-I787 HydrophobicContact CG-CD1 4.17Å; P759-I787 HydrophobicContact CG-CG1 4.38Å; L764-I787 HydrophobicContact CD1-CG2 4.1Å; L764-I787 HydrophobicContact CD2-CD1 4.41Å; L764-I787 HydrophobicContact CD2-CG2 4.01Å; H782-I787 PolarHBondContact O-N 3.47Å; L783-I787 HydrophobicContact CD2-CD1 3.7Å; L783-I787 WeakPolarHBondContact O-CB 3.24Å |
| 788 | L | 86.9 | Confident | 87.7 | Confident | 83 Ų | 83 | 27.6 Ų | 27.6 | 44% | 0.435 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -91.1 | -14.6 | -175.5 | -64.1 | 172 | 0 | 0 | 0 | 114.6 | L764 L783 Y784 D790 | L764-L788 HydrophobicContact CD1-CD2 4.43Å; L783-L788 WeakPolarHBondContact O-CB 3.46Å; L783-L788 VanDerWaalsContact O-CG 3.3Å; L783-L788 WeakPolarHBondContact O-CG 3.42Å; L783-L788 PolarHBondContact O-N 3.29Å; Y784-L788 HydrophobicContact CD1-CD1 4Å; Y784-L788 HydrophobicContact CE1-CD1 4.09Å; Y784-L788 HydrophobicContact CG-CD1 4.44Å; Y784-L788 CarbonylContact O-C 3.59Å; Y784-L788 VanDerWaalsContact O-C 3.31Å; Y784-L788 WeakPolarHBondContact O-CB 2.96Å; Y784-L788 PolarHBondContact O-N 3.48Å; L788-D790 VanDerWaalsContact C-N 3.32Å; L788-D790 PolarHBondContact O-N 3.49Å |
| 789 | M | 86.4 | Confident | 87.7 | Confident | 62 Ų | 62 | 26.6 Ų | 26.6 | 31% | 0.305 | 14% | 0.136 | S | C | . | . | trans | 56.2 | 36 | -177.1 | -57.4 | -71 | 170.9 | 0 | 0 | 114.9 | Y784 D786 L846 L850 | Y784-M789 WeakPolarHBondContact O-CA 3.48Å; Y784-M789 PolarHBondContact O-N 3.3Å; D786-M789 WeakPolarHBondContact O-CE 3.31Å; M789-L846 HydrophobicContact SD-CD2 3.65Å; M789-L850 HydrophobicContact CB-CD1 4.03Å | ||
| 790 | D | 89.5 | Confident | 87.6 | Confident | 50 Ų | 50 | 32.3 Ų | 32.3 | 27% | 0.267 | 16% | 0.162 | S | C | . | . | trans | -118.1 | 124.5 | 176.9 | 178.2 | 16.4 | 0 | 0 | 0 | 111.9 | Y784 L788 E792 T793 P794 | Y784-D790 HydrophobicContact CD1-CB 4.23Å; Y784-D790 PolarHBondContact O-N 3.29Å; L788-D790 VanDerWaalsContact C-N 3.32Å; L788-D790 PolarHBondContact O-N 3.49Å; D790-E792 PolarHBondContact OD1-N 3.21Å; D790-T793 VanDerWaalsContact OD2-CB 3.27Å; D790-T793 WeakPolarHBondContact OD2-CB 3.48Å; D790-T793 PolarHBondContact OD2-OG1 2.98Å; D790-P794 WeakPolarHBondContact O-CG 3.44Å | ||
| 791 | F | 89.4 | Confident | 87.2 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 2% | 0.022 | 17% | 0.167 | C | C | . | . | trans | -111.3 | -17 | -176.9 | -72.3 | -111.5 | 0 | 0 | 0 | 112.8 | T785 P794 F795 L831 A835 E839 L846 I854 | T785-F791 HydrophobicContact CG2-CD1 3.97Å; T785-F791 HydrophobicContact CG2-CD2 4.35Å; T785-F791 HydrophobicContact CG2-CE1 3.81Å; T785-F791 HydrophobicContact CG2-CE2 4.19Å; T785-F791 HydrophobicContact CG2-CG 4.25Å; T785-F791 HydrophobicContact CG2-CZ 3.93Å; F791-P794 WeakPolarHBondContact O-CG 3.33Å; F791-F795 VanDerWaalsContact O-CB 3.25Å; F791-F795 WeakPolarHBondContact O-CB 3.36Å; F791-F795 PolarHBondContact O-N 3.24Å; F791-L831 HydrophobicContact CB-CD1 4.47Å; F791-L831 HydrophobicContact CD1-CD1 3.51Å; F791-L831 HydrophobicContact CE1-CD1 4.13Å; F791-L831 HydrophobicContact CG-CD1 4.29Å; F791-A835 HydrophobicContact CD1-CB 4.01Å; F791-A835 HydrophobicContact CE1-CB 4.36Å; F791-E839 WeakPolarHBondContact CZ-O 3.4Å; F791-L846 HydrophobicContact CE2-CD1 3.97Å; F791-L846 HydrophobicContact CE2-CD2 4.03Å; F791-L846 HydrophobicContact CZ-CD1 3.78Å; F791-L846 HydrophobicContact CZ-CD2 4.06Å; F791-L846 HydrophobicContact CZ-CG 4.5Å; F791-I854 HydrophobicContact CB-CG2 3.94Å; F791-I854 HydrophobicContact CD1-CG2 3.85Å; F791-I854 HydrophobicContact CD2-CD1 3.57Å; F791-I854 HydrophobicContact CD2-CG1 4.22Å; F791-I854 HydrophobicContact CD2-CG2 3.91Å; F791-I854 HydrophobicContact CE1-CG2 4.29Å; F791-I854 HydrophobicContact CE2-CD1 3.69Å; F791-I854 HydrophobicContact CE2-CG2 4.36Å; F791-I854 HydrophobicContact CG-CD1 4.39Å; F791-I854 HydrophobicContact CG-CG2 3.63Å | ||
| 792 | E | 88.3 | Confident | 86.9 | Confident | 96 Ų | 96 | 34 Ų | 34 | 45% | 0.449 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -78.5 | -45.1 | -174.3 | -178.3 | 174.1 | 173.3 | 0 | 0 | 111 | D790 F795 N796 L861 | D790-E792 PolarHBondContact OD1-N 3.21Å; E792-F795 PolarHBondContact O-N 2.77Å; E792-N796 PolarHBondContact O-N 2.83Å; E792-N796 PolarHBondContact O-ND2 3.06Å; E792-N796 VanDerWaalsContact O-ND2 3.14Å; E792-L861 HydrophobicContact CG-CD1 4.36Å |
| 793 | T | 89.7 | Confident | 86.3 | Confident | 51 Ų | 51 | 34.2 Ų | 34.2 | 31% | 0.313 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -56.8 | -55.5 | 175.7 | -54 | 0 | 0 | 0 | 0 | 111.9 | Y784 D790 F795 N796 D797 | Y784-T793 HydrophobicContact CE1-CG2 4.05Å; D790-T793 VanDerWaalsContact OD2-CB 3.27Å; D790-T793 WeakPolarHBondContact OD2-CB 3.48Å; D790-T793 PolarHBondContact OD2-OG1 2.98Å; T793-F795 VanDerWaalsContact C-N 3.31Å; T793-F795 PolarHBondContact O-N 3.36Å; T793-N796 PolarHBondContact O-N 2.88Å; T793-D797 WeakPolarHBondContact O-CB 3.31Å; T793-D797 PolarHBondContact O-N 2.83Å |
| 794 | P | 89.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.5 | -35.2 | 178.7 | 23.8 | -34.3 | 0 | 0 | 0 | 112.9 | Y780 L781 D790 F791 L798 L831 | Y780-P794 HydrophobicContact CD1-CB 4.48Å; Y780-P794 HydrophobicContact CE1-CB 3.87Å; L781-P794 HydrophobicContact CD2-CB 3.83Å; L781-P794 HydrophobicContact CD2-CG 4.49Å; D790-P794 WeakPolarHBondContact O-CG 3.44Å; F791-P794 WeakPolarHBondContact O-CG 3.33Å; P794-L798 WeakPolarHBondContact O-CB 3.43Å; P794-L798 WeakPolarHBondContact O-CD1 3.26Å; P794-L798 WeakPolarHBondContact O-CG 3.36Å; P794-L798 PolarHBondContact O-N 3.48Å; P794-L831 HydrophobicContact CB-CD2 4.03Å; P794-L831 HydrophobicContact CG-CD1 4.35Å; P794-L831 HydrophobicContact CG-CD2 4.15Å |
| 795 | F | 90.5 | Very high | 84.7 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.2 | -49.7 | 178.5 | -178.2 | -87 | 0 | 0 | 0 | 111.8 | F791 E792 T793 I799 L828 L831 I832 V858 L861 V884 | F791-F795 VanDerWaalsContact O-CB 3.25Å; F791-F795 WeakPolarHBondContact O-CB 3.36Å; F791-F795 PolarHBondContact O-N 3.24Å; E792-F795 PolarHBondContact O-N 2.77Å; T793-F795 VanDerWaalsContact C-N 3.31Å; T793-F795 PolarHBondContact O-N 3.36Å; F795-I799 HydrophobicContact CD1-CG1 4.18Å; F795-I799 HydrophobicContact CE1-CG1 3.84Å; F795-I799 HydrophobicContact CZ-CD1 4.38Å; F795-I799 HydrophobicContact CZ-CG1 4.08Å; F795-I799 WeakPolarHBondContact O-CB 3.47Å; F795-I799 VanDerWaalsContact O-CG1 3.29Å; F795-I799 WeakPolarHBondContact O-CG1 3.46Å; F795-I799 PolarHBondContact O-N 3.37Å; F795-L828 HydrophobicContact CD2-CD1 3.81Å; F795-L828 HydrophobicContact CE2-CD1 4.01Å; F795-L828 HydrophobicContact CG-CD1 4.48Å; F795-L831 HydrophobicContact CB-CD2 3.87Å; F795-L831 HydrophobicContact CD2-CD2 4.44Å; F795-I832 HydrophobicContact CD2-CG1 4.29Å; F795-I832 HydrophobicContact CE2-CD1 4.1Å; F795-I832 HydrophobicContact CE2-CG1 3.89Å; F795-V858 HydrophobicContact CD2-CG1 4.1Å; F795-V858 HydrophobicContact CE2-CG1 4Å; F795-L861 HydrophobicContact CD1-CB 4.15Å; F795-L861 HydrophobicContact CD1-CD1 3.88Å; F795-L861 HydrophobicContact CE1-CB 3.6Å; F795-L861 HydrophobicContact CE1-CD1 4.22Å; F795-L861 HydrophobicContact CE1-CG 4.46Å; F795-L861 HydrophobicContact CG-CD1 4.46Å; F795-L861 HydrophobicContact CZ-CB 4.03Å; F795-V884 HydrophobicContact CZ-CG1 4.42Å |
| 796 | N | 87.8 | Confident | 83.5 | Confident | 56 Ų | 56 | 41.2 Ų | 41.2 | 30% | 0.299 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.3 | -43.6 | -179.2 | -72 | -39.6 | 0 | 0 | 0 | 111.8 | E792 T793 L798 I799 Q800 | E792-N796 PolarHBondContact O-N 2.83Å; E792-N796 PolarHBondContact O-ND2 3.06Å; E792-N796 VanDerWaalsContact O-ND2 3.14Å; T793-N796 PolarHBondContact O-N 2.88Å; N796-L798 VanDerWaalsContact C-N 3.34Å; N796-L798 PolarHBondContact O-N 2.95Å; N796-I799 PolarHBondContact O-N 3.48Å; N796-Q800 VanDerWaalsContact O-CB 3.3Å; N796-Q800 WeakPolarHBondContact O-CB 3.44Å; N796-Q800 PolarHBondContact O-N 3.36Å |
| 797 | D | 87.2 | Confident | 82.2 | Confident | 47 Ų | 47 | 44.4 Ų | 44.4 | 25% | 0.251 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.3 | -42.8 | 179.3 | -80.8 | -0.5 | 0 | 0 | 0 | 111.5 | W772 Y780 T793 Y801 | W772-D797 HydrophobicContact CH2-CB 3.62Å; W772-D797 HydrophobicContact CZ2-CB 4.4Å; W772-D797 HydrophobicContact CZ3-CB 3.89Å; Y780-D797 PolarHBondContact OH-OD2 3.24Å; T793-D797 WeakPolarHBondContact O-CB 3.31Å; T793-D797 PolarHBondContact O-N 2.83Å; D797-Y801 PolarHBondContact O-N 3.41Å; D797-Y801 VanDerWaalsContact O-N 3.12Å |
| 798 | L | 88.4 | Confident | 80.7 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.8 | -43 | 178.1 | -67 | 170.9 | 0 | 0 | 0 | 112.5 | F777 L781 P794 N796 Q800 Y801 L802 C824 C827 L828 L831 | F777-L798 HydrophobicContact CD1-CD2 3.9Å; F777-L798 HydrophobicContact CE1-CD2 4.05Å; L781-L798 HydrophobicContact CD2-CD1 4.44Å; P794-L798 WeakPolarHBondContact O-CB 3.43Å; P794-L798 WeakPolarHBondContact O-CD1 3.26Å; P794-L798 WeakPolarHBondContact O-CG 3.36Å; P794-L798 PolarHBondContact O-N 3.48Å; N796-L798 VanDerWaalsContact C-N 3.34Å; N796-L798 PolarHBondContact O-N 2.95Å; L798-Q800 VanDerWaalsContact C-N 3.35Å; L798-Q800 PolarHBondContact O-N 2.74Å; L798-Y801 PolarHBondContact O-N 3.16Å; L798-L802 WeakPolarHBondContact O-CG 3.35Å; L798-L802 PolarHBondContact O-N 2.92Å; L798-C824 HydrophobicContact CD2-CB 4.42Å; L798-C824 WeakPolarHBondContact CD2-SG 3.43Å; L798-C827 HydrophobicContact CD1-CB 4.34Å; L798-L828 HydrophobicContact CB-CB 4.32Å; L798-L828 HydrophobicContact CB-CD1 4.21Å; L798-L828 HydrophobicContact CD1-CB 4.23Å; L798-L828 HydrophobicContact CD1-CD1 4.48Å; L798-L831 HydrophobicContact CD1-CD2 4.28Å |
| 799 | I | 85 | Confident | 78.4 | Confident | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.062 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61 | -44.8 | 176.2 | -73.7 | -73 | 0 | 0 | 0 | 111.1 | F795 N796 Y801 L802 T803 L828 F867 V884 L887 | F795-I799 HydrophobicContact CD1-CG1 4.18Å; F795-I799 HydrophobicContact CE1-CG1 3.84Å; F795-I799 HydrophobicContact CZ-CD1 4.38Å; F795-I799 HydrophobicContact CZ-CG1 4.08Å; F795-I799 WeakPolarHBondContact O-CB 3.47Å; F795-I799 VanDerWaalsContact O-CG1 3.29Å; F795-I799 WeakPolarHBondContact O-CG1 3.46Å; F795-I799 PolarHBondContact O-N 3.37Å; N796-I799 PolarHBondContact O-N 3.48Å; I799-Y801 VanDerWaalsContact C-N 3.29Å; I799-Y801 PolarHBondContact O-N 2.96Å; I799-L802 PolarHBondContact O-N 3.29Å; I799-T803 WeakPolarHBondContact O-CB 3.46Å; I799-T803 PolarHBondContact O-N 2.64Å; I799-T803 PolarHBondContact O-OG1 2.64Å; I799-L828 HydrophobicContact CD1-CD1 4.34Å; I799-L828 HydrophobicContact CD1-CD2 3.45Å; I799-L828 VanDerWaalsContact CD1-CD2 3.45Å; I799-L828 HydrophobicContact CG1-CD1 4.2Å; I799-L828 HydrophobicContact CG1-CD2 4.06Å; I799-F867 HydrophobicContact CG2-CD1 4.48Å; I799-F867 HydrophobicContact CG2-CE1 4.23Å; I799-V884 HydrophobicContact CD1-CG1 3.86Å; I799-L887 HydrophobicContact CD1-CD2 4.2Å |
| 800 | Q | 83.2 | Confident | 76.4 | Confident | 121 Ų | 121 | 48.9 Ų | 48.9 | 57% | 0.565 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -61.2 | -41.6 | 178.4 | -175.8 | 177.1 | -1.2 | 0 | 0 | 111 | N796 L798 S804 | N796-Q800 VanDerWaalsContact O-CB 3.3Å; N796-Q800 WeakPolarHBondContact O-CB 3.44Å; N796-Q800 PolarHBondContact O-N 3.36Å; L798-Q800 VanDerWaalsContact C-N 3.35Å; L798-Q800 PolarHBondContact O-N 2.74Å; Q800-S804 WeakPolarHBondContact O-CB 3.41Å; Q800-S804 PolarHBondContact O-N 2.88Å; Q800-S804 VanDerWaalsContact O-N 3.13Å; Q800-S804 PolarHBondContact O-OG 3.34Å |
| 801 | Y | 82.6 | Confident | 74.2 | Confident | 31 Ų | 31 | 54.8 Ų | 54.8 | 12% | 0.122 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.4 | -55.1 | 175.9 | -170 | -92.2 | 0 | 0 | 0 | 111.8 | D797 L798 I799 T803 S804 S805 D817 R820 V821 C824 | D797-Y801 PolarHBondContact O-N 3.41Å; D797-Y801 VanDerWaalsContact O-N 3.12Å; L798-Y801 PolarHBondContact O-N 3.16Å; I799-Y801 VanDerWaalsContact C-N 3.29Å; I799-Y801 PolarHBondContact O-N 2.96Å; Y801-T803 VanDerWaalsContact C-N 3.3Å; Y801-T803 PolarHBondContact O-N 2.92Å; Y801-S804 PolarHBondContact O-N 3.12Å; Y801-S804 VanDerWaalsContact O-N 3.09Å; Y801-S804 PolarHBondContact O-OG 3.26Å; Y801-S805 PolarHBondContact O-N 3.02Å; Y801-S805 VanDerWaalsContact O-N 3.15Å; Y801-S805 PolarHBondContact O-OG 3.47Å; Y801-D817 PolarHBondContact OH-OD1 3.31Å; Y801-R820 HydrophobicContact CE1-CG 4.14Å; Y801-R820 WeakPolarHBondContact OH-CD 3.39Å; Y801-R820 PolarHBondContact OH-NE 3.26Å; Y801-R820 PolarHBondContact OH-NH1 3.02Å; Y801-V821 HydrophobicContact CE1-CG2 4.05Å; Y801-C824 HydrophobicContact CD1-CB 4.01Å; Y801-C824 HydrophobicContact CE1-CB 4.42Å |
| 802 | L | 80.2 | Confident | 72 | Confident | 9 Ų | 9 | 63.9 Ų | 63.9 | 5% | 0.047 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.5 | -41.9 | -179.4 | -71.2 | 174.1 | 0 | 0 | 0 | 112.5 | L798 I799 S804 S805 L806 V821 C824 L828 | L798-L802 WeakPolarHBondContact O-CG 3.35Å; L798-L802 PolarHBondContact O-N 2.92Å; I799-L802 PolarHBondContact O-N 3.29Å; L802-S804 VanDerWaalsContact C-N 3.32Å; L802-S804 PolarHBondContact O-N 3.38Å; L802-S805 PolarHBondContact O-N 2.82Å; L802-L806 WeakPolarHBondContact O-CD1 3.49Å; L802-L806 PolarHBondContact O-N 3.4Å; L802-V821 HydrophobicContact CD2-CG1 3.86Å; L802-C824 HydrophobicContact CD2-CB 4.14Å; L802-L828 HydrophobicContact CD1-CB 4.44Å; L802-L828 HydrophobicContact CD1-CD2 3.51Å |
| 803 | T | 75.8 | Confident | 69.9 | Low | 7 Ų | 7 | 63.9 Ų | 63.9 | 4% | 0.043 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 179 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | I799 Y801 N807 L874 | I799-T803 WeakPolarHBondContact O-CB 3.46Å; I799-T803 PolarHBondContact O-N 2.64Å; I799-T803 PolarHBondContact O-OG1 2.64Å; Y801-T803 VanDerWaalsContact C-N 3.3Å; Y801-T803 PolarHBondContact O-N 2.92Å; T803-N807 PolarHBondContact O-ND2 3.38Å; T803-L874 HydrophobicContact CG2-CD1 3.47Å; T803-L874 VanDerWaalsContact CG2-CD1 3.47Å |
| 804 | S | 73 | Confident | 67.8 | Low | 75 Ų | 75 | 65.3 Ų | 65.3 | 52% | 0.524 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.6 | -35.8 | 179.1 | 70.9 | 0 | 0 | 0 | 0 | 113 | Q800 Y801 L802 L806 | Q800-S804 WeakPolarHBondContact O-CB 3.41Å; Q800-S804 PolarHBondContact O-N 2.88Å; Q800-S804 VanDerWaalsContact O-N 3.13Å; Q800-S804 PolarHBondContact O-OG 3.34Å; Y801-S804 PolarHBondContact O-N 3.12Å; Y801-S804 VanDerWaalsContact O-N 3.09Å; Y801-S804 PolarHBondContact O-OG 3.26Å; L802-S804 VanDerWaalsContact C-N 3.32Å; L802-S804 PolarHBondContact O-N 3.38Å; S804-L806 VanDerWaalsContact C-N 3.33Å; S804-L806 PolarHBondContact O-N 3.48Å |
| 805 | S | 70 | Confident | 65.7 | Low | 34 Ų | 34 | 73.5 Ų | 73.5 | 24% | 0.238 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -73 | -21 | -178.6 | -59.2 | 0 | 0 | 0 | 0 | 114.1 | Y801 L802 N807 V821 | Y801-S805 PolarHBondContact O-N 3.02Å; Y801-S805 VanDerWaalsContact O-N 3.15Å; Y801-S805 PolarHBondContact O-OG 3.47Å; L802-S805 PolarHBondContact O-N 2.82Å; S805-N807 VanDerWaalsContact C-N 3.28Å; S805-N807 PolarHBondContact O-N 3.24Å; S805-V821 VanDerWaalsContact CB-CG2 3.45Å; S805-V821 WeakPolarHBondContact OG-CG2 3.28Å |
| 806 | L | 63.9 | Low | 63.5 | Low | 77 Ų | 77 | 83.8 Ų | 83.8 | 40% | 0.403 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -11.1 | 179.9 | -84.1 | 149.8 | 0 | 0 | 0 | 115.2 | L802 S804 L887 | L802-L806 WeakPolarHBondContact O-CD1 3.49Å; L802-L806 PolarHBondContact O-N 3.4Å; S804-L806 VanDerWaalsContact C-N 3.33Å; S804-L806 PolarHBondContact O-N 3.48Å; L806-L887 HydrophobicContact CD1-CD1 3.06Å |
| 807 | N | 54.6 | Low | 61.9 | Low | 71 Ų | 71 | 84.2 Ų | 84.2 | 38% | 0.38 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -3.9 | -175.3 | -60.7 | -68.3 | 0 | 0 | 0 | 114.8 | T803 S805 S809 L874 | T803-N807 PolarHBondContact O-ND2 3.38Å; S805-N807 VanDerWaalsContact C-N 3.28Å; S805-N807 PolarHBondContact O-N 3.24Å; N807-S809 PolarHBondContact O-N 3.34Å; N807-S809 VanDerWaalsContact O-N 3.08Å; N807-L874 HydrophobicContact CB-CD2 4.39Å; N807-L874 VanDerWaalsContact ND2-CD1 3.3Å; N807-L874 WeakPolarHBondContact ND2-CD1 3.4Å; N807-L874 WeakPolarHBondContact ND2-CD2 3.44Å; N807-L874 WeakPolarHBondContact OD1-CD2 3.28Å |
| 808 | G | 51.9 | Low | 60.7 | Low | 56 Ų | 56 | 88.4 Ų | 88.4 | 58% | 0.577 | 45% | 0.452 | S | S | * | . | trans | -82.7 | 82.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N810 | G808-N810 PolarHBondContact O-N 2.87Å; G808-N810 VanDerWaalsContact O-N 3.16Å | ||
| 809 | S | 40.1 | Very low | 59.7 | Low | 102 Ų | 102 | 93.3 Ų | 93.3 | 71% | 0.713 | 48% | 0.478 | S | S | * | . | trans | -70.5 | 97.3 | 163.6 | 56.5 | 0 | 0 | 0 | 0 | 109.5 | N807 | N807-S809 PolarHBondContact O-N 3.34Å; N807-S809 VanDerWaalsContact O-N 3.08Å | ||
| 810 | N | 42.7 | Very low | 59.1 | Low | 121 Ų | 121 | 96 Ų | 96 | 65% | 0.647 | 49% | 0.488 | S | S | * | . | trans | -159.9 | 109.7 | 161.8 | -86 | -28.3 | 0 | 0 | 0 | 109.5 | G808 E812 T813 | G808-N810 PolarHBondContact O-N 2.87Å; G808-N810 VanDerWaalsContact O-N 3.16Å; N810-E812 PolarHBondContact O-N 3.13Å; N810-T813 PolarHBondContact O-OG1 3Å | ||
| 811 | E | 43.8 | Very low | 58.7 | Low | 175 Ų | 175 | 91.8 Ų | 91.8 | 82% | 0.818 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -6.5 | -163.3 | -65.3 | 178.9 | 154.1 | 0 | 0 | 116.3 | ||
| 812 | E | 43 | Very low | 58.4 | Low | 196 Ų | 196 | 95.5 Ų | 95.5 | 92% | 0.916 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -17.1 | -175.1 | -67.6 | -172 | 162.7 | 0 | 0 | 114.9 | N810 | N810-E812 PolarHBondContact O-N 3.13Š|
| 813 | T | 44.2 | Very low | 58.3 | Low | 96 Ų | 96 | 100.1 Ų | 100.1 | 59% | 0.589 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -92.4 | -6.4 | 175.1 | 36.1 | 0 | 0 | 0 | 0 | 114.1 | N810 K815 D817 | N810-T813 PolarHBondContact O-OG1 3Å; T813-K815 VanDerWaalsContact C-N 3.33Å; T813-K815 PolarHBondContact O-N 2.62Å; T813-D817 PolarHBondContact O-N 3.01Å |
| 814 | E | 45.1 | Very low | 58.7 | Low | 80 Ų | 80 | 99.8 Ų | 99.8 | 37% | 0.374 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71.5 | -11.4 | -165.7 | -68.6 | -175.9 | 174.2 | 0 | 0 | 116.4 | R818 | E814-R818 WeakPolarHBondContact O-CB 3.45Å; E814-R818 WeakPolarHBondContact O-CG 3.38Å; E814-R818 PolarHBondContact O-NE 2.96Å |
| 815 | K | 46.8 | Very low | 59.1 | Low | 173 Ų | 173 | 96.3 Ų | 96.3 | 75% | 0.752 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -88.5 | -37.3 | 179.9 | -122 | -178.8 | -177.9 | -179 | 0 | 113.2 | T813 | T813-K815 VanDerWaalsContact C-N 3.33Å; T813-K815 PolarHBondContact O-N 2.62Å |
| 816 | Y | 44.5 | Very low | 59.9 | Low | 220 Ų | 220 | 99.7 Ų | 99.7 | 86% | 0.863 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -80.7 | -33.6 | 178.1 | -106.7 | -86.5 | 0 | 0 | 0 | 112.1 | ||
| 817 | D | 54.5 | Low | 61 | Low | 64 Ų | 64 | 96.2 Ų | 96.2 | 34% | 0.342 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -77.7 | -30.5 | -179.2 | -141.9 | -9.7 | 0 | 0 | 0 | 112.2 | Y801 T813 N819 R820 V821 | Y801-D817 PolarHBondContact OH-OD1 3.31Å; T813-D817 PolarHBondContact O-N 3.01Å; D817-N819 PolarHBondContact O-N 3.36Å; D817-R820 PolarHBondContact O-N 3.36Å; D817-R820 VanDerWaalsContact O-N 3.1Å; D817-V821 VanDerWaalsContact O-CG2 3.28Å; D817-V821 WeakPolarHBondContact O-CG2 3.41Å; D817-V821 PolarHBondContact O-N 2.94Å |
| 818 | R | 60.5 | Low | 62.6 | Low | 136 Ų | 136 | 92.9 Ų | 92.9 | 51% | 0.513 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.9 | -47.5 | 178.3 | -92.7 | -165.9 | -75.8 | -168.3 | -9.1 | 113.8 | E814 R820 V821 E822 | E814-R818 WeakPolarHBondContact O-CB 3.45Å; E814-R818 WeakPolarHBondContact O-CG 3.38Å; E814-R818 PolarHBondContact O-NE 2.96Å; R818-R820 PolarHBondContact O-N 3.14Å; R818-V821 PolarHBondContact O-N 3.02Å; R818-E822 WeakPolarHBondContact O-CB 3.2Å; R818-E822 WeakPolarHBondContact O-CG 3.05Å; R818-E822 PolarHBondContact O-N 3.33Å |
| 819 | N | 67.5 | Low | 64.5 | Low | 103 Ų | 103 | 90.7 Ų | 90.7 | 55% | 0.551 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -62.6 | -32.3 | 177.4 | -76.7 | -4.2 | 0 | 0 | 0 | 112.1 | D817 K823 | D817-N819 PolarHBondContact O-N 3.36Å; N819-K823 WeakPolarHBondContact O-CB 3.5Å; N819-K823 VanDerWaalsContact O-CG 3.29Å; N819-K823 WeakPolarHBondContact O-CG 3.43Å; N819-K823 PolarHBondContact O-N 2.99Å |
| 820 | R | 73 | Confident | 66.8 | Low | 69 Ų | 69 | 87.6 Ų | 87.6 | 26% | 0.26 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -75.1 | -40.5 | 179 | -170 | 171.2 | 174 | -162.9 | 15.8 | 111.6 | S775 F777 Y801 D817 R818 K823 C824 | S775-R820 VanDerWaalsContact OG-CD 3.32Å; S775-R820 WeakPolarHBondContact OG-CD 3.49Å; S775-R820 PolarHBondContact OG-NE 2.91Å; S775-R820 PolarHBondContact OG-NH2 3.27Å; F777-R820 HydrophobicContact CE2-CG 3.76Å; F777-R820 HydrophobicContact CZ-CG 4.03Å; Y801-R820 HydrophobicContact CE1-CG 4.14Å; Y801-R820 WeakPolarHBondContact OH-CD 3.39Å; Y801-R820 PolarHBondContact OH-NE 3.26Å; Y801-R820 PolarHBondContact OH-NH1 3.02Å; D817-R820 PolarHBondContact O-N 3.36Å; D817-R820 VanDerWaalsContact O-N 3.1Å; R818-R820 PolarHBondContact O-N 3.14Å; R820-K823 PolarHBondContact O-N 2.91Å; R820-C824 WeakPolarHBondContact O-CB 3.45Å; R820-C824 PolarHBondContact O-N 3.29Å |
| 821 | V | 74.6 | Confident | 69.1 | Low | 32 Ų | 32 | 81.9 Ų | 81.9 | 19% | 0.194 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 173.2 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | Y801 L802 S805 D817 R818 C824 G825 | Y801-V821 HydrophobicContact CE1-CG2 4.05Å; L802-V821 HydrophobicContact CD2-CG1 3.86Å; S805-V821 VanDerWaalsContact CB-CG2 3.45Å; S805-V821 WeakPolarHBondContact OG-CG2 3.28Å; D817-V821 VanDerWaalsContact O-CG2 3.28Å; D817-V821 WeakPolarHBondContact O-CG2 3.41Å; D817-V821 PolarHBondContact O-N 2.94Å; R818-V821 PolarHBondContact O-N 3.02Å; V821-C824 PolarHBondContact O-N 3.14Å; V821-G825 PolarHBondContact O-N 3.2Å |
| 822 | E | 77.1 | Confident | 71.4 | Confident | 109 Ų | 109 | 73.5 Ų | 73.5 | 51% | 0.509 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.8 | -50.2 | 174.7 | -76 | 177.3 | -172 | 0 | 0 | 111.6 | R818 C824 G825 H826 Y891 | R818-E822 WeakPolarHBondContact O-CB 3.2Å; R818-E822 WeakPolarHBondContact O-CG 3.05Å; R818-E822 PolarHBondContact O-N 3.33Å; E822-C824 VanDerWaalsContact C-N 3.33Å; E822-C824 PolarHBondContact O-N 3.4Å; E822-G825 PolarHBondContact O-N 2.91Å; E822-H826 PolarHBondContact O-N 3.47Å; E822-Y891 WeakPolarHBondContact CA-OH 3.2Å; E822-Y891 PolarHBondContact O-OH 3.45Å |
| 823 | K | 77.4 | Confident | 73.6 | Confident | 107 Ų | 107 | 67.3 Ų | 67.3 | 47% | 0.465 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 175.9 | -75.2 | -177.8 | 177.9 | -166.9 | 0 | 112.4 | F777 N819 R820 H826 C827 | F777-K823 HydrophobicContact CD2-CB 4.07Å; F777-K823 HydrophobicContact CE2-CB 4.46Å; N819-K823 WeakPolarHBondContact O-CB 3.5Å; N819-K823 VanDerWaalsContact O-CG 3.29Å; N819-K823 WeakPolarHBondContact O-CG 3.43Å; N819-K823 PolarHBondContact O-N 2.99Å; R820-K823 PolarHBondContact O-N 2.91Å; K823-H826 PolarHBondContact O-N 3.36Å; K823-C827 WeakPolarHBondContact O-CB 3.28Å; K823-C827 PolarHBondContact O-N 3.33Å; K823-C827 PolarHBondContact O-SG 3.46Å |
| 824 | C | 83.9 | Confident | 75.7 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 177.6 | -179.8 | 0 | 0 | 0 | 0 | 111.5 | F777 L798 Y801 L802 R820 V821 E822 C827 L828 | F777-C824 HydrophobicContact CD2-CB 4.46Å; F777-C824 HydrophobicContact CE2-CB 3.91Å; F777-C824 HydrophobicContact CZ-CB 4.07Å; L798-C824 HydrophobicContact CD2-CB 4.42Å; L798-C824 WeakPolarHBondContact CD2-SG 3.43Å; Y801-C824 HydrophobicContact CD1-CB 4.01Å; Y801-C824 HydrophobicContact CE1-CB 4.42Å; L802-C824 HydrophobicContact CD2-CB 4.14Å; R820-C824 WeakPolarHBondContact O-CB 3.45Å; R820-C824 PolarHBondContact O-N 3.29Å; V821-C824 PolarHBondContact O-N 3.14Å; E822-C824 VanDerWaalsContact C-N 3.33Å; E822-C824 PolarHBondContact O-N 3.4Å; C824-C827 PolarHBondContact O-N 3.48Å; C824-L828 WeakPolarHBondContact O-CB 3.48Å; C824-L828 PolarHBondContact O-N 3.43Å |
| 825 | G | 83 | Confident | 77.9 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.8 | -37.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V821 E822 L828 L829 Y891 | V821-G825 PolarHBondContact O-N 3.2Å; E822-G825 PolarHBondContact O-N 2.91Å; G825-L828 PolarHBondContact O-N 3.45Å; G825-L829 WeakPolarHBondContact O-CG 3.37Å; G825-L829 PolarHBondContact O-N 3.1Å; G825-L829 VanDerWaalsContact O-N 3.08Å; G825-Y891 VanDerWaalsContact CA-CZ 3.49Å; G825-Y891 WeakPolarHBondContact CA-OH 3.28Å |
| 826 | H | 85.4 | Confident | 79.9 | Confident | 106 Ų | 106 | 51 Ų | 51 | 49% | 0.491 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.2 | -47.4 | 171.5 | -173.1 | 67.4 | 0 | 0 | 0 | 111.9 | E822 K823 L828 L829 V830 Y891 | E822-H826 PolarHBondContact O-N 3.47Å; K823-H826 PolarHBondContact O-N 3.36Å; H826-L828 VanDerWaalsContact C-N 3.28Å; H826-L828 PolarHBondContact O-N 3.5Å; H826-L829 PolarHBondContact O-N 3.19Å; H826-L829 VanDerWaalsContact O-N 3.13Å; H826-V830 WeakPolarHBondContact O-CG2 3.39Å; H826-V830 PolarHBondContact O-N 3.48Å; H826-Y891 PolarHBondContact N-OH 3.1Å |
| 827 | C | 87.4 | Confident | 81.9 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.027 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.1 | -38.3 | 177.4 | -70.7 | 0 | 0 | 0 | 0 | 112.1 | F777 D778 L781 L798 K823 C824 V830 L831 | F777-C827 HydrophobicContact CB-CB 4.07Å; F777-C827 WeakPolarHBondContact CB-SG 3.44Å; D778-C827 PolarHBondContact OD1-SG 3.15Å; L781-C827 HydrophobicContact CD1-CB 3.88Å; L798-C827 HydrophobicContact CD1-CB 4.34Å; K823-C827 WeakPolarHBondContact O-CB 3.28Å; K823-C827 PolarHBondContact O-N 3.33Å; K823-C827 PolarHBondContact O-SG 3.46Å; C824-C827 PolarHBondContact O-N 3.48Å; C827-V830 PolarHBondContact O-N 3.15Å; C827-L831 WeakPolarHBondContact O-CB 3.45Å; C827-L831 PolarHBondContact O-N 2.88Å |
| 828 | L | 89.2 | Confident | 83.4 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.1 | -42.9 | 175.1 | 178.7 | 63.5 | 0 | 0 | 0 | 111.7 | F795 L798 I799 L802 C824 G825 H826 L831 I832 L888 | F795-L828 HydrophobicContact CD2-CD1 3.81Å; F795-L828 HydrophobicContact CE2-CD1 4.01Å; F795-L828 HydrophobicContact CG-CD1 4.48Å; L798-L828 HydrophobicContact CB-CB 4.32Å; L798-L828 HydrophobicContact CB-CD1 4.21Å; L798-L828 HydrophobicContact CD1-CB 4.23Å; L798-L828 HydrophobicContact CD1-CD1 4.48Å; I799-L828 HydrophobicContact CD1-CD1 4.34Å; I799-L828 HydrophobicContact CD1-CD2 3.45Å; I799-L828 VanDerWaalsContact CD1-CD2 3.45Å; I799-L828 HydrophobicContact CG1-CD1 4.2Å; I799-L828 HydrophobicContact CG1-CD2 4.06Å; L802-L828 HydrophobicContact CD1-CB 4.44Å; L802-L828 HydrophobicContact CD1-CD2 3.51Å; C824-L828 WeakPolarHBondContact O-CB 3.48Å; C824-L828 PolarHBondContact O-N 3.43Å; G825-L828 PolarHBondContact O-N 3.45Å; H826-L828 VanDerWaalsContact C-N 3.28Å; H826-L828 PolarHBondContact O-N 3.5Å; L828-L831 PolarHBondContact O-N 3.35Å; L828-I832 HydrophobicContact CD1-CD1 4.19Å; L828-I832 HydrophobicContact CD1-CG1 4.43Å; L828-I832 HydrophobicContact CG-CD1 4.03Å; L828-I832 VanDerWaalsContact O-CG1 3.26Å; L828-I832 WeakPolarHBondContact O-CG1 3.33Å; L828-I832 PolarHBondContact O-N 3.25Å; L828-L888 HydrophobicContact CD2-CD2 3.9Å; L828-L888 HydrophobicContact CG-CD2 4.49Å |
| 829 | L | 90.1 | Very high | 84.8 | Confident | 10 Ų | 10 | 34.8 Ų | 34.8 | 5% | 0.052 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.6 | -43.4 | 174.8 | -67.7 | 176.2 | 0 | 0 | 0 | 111.3 | G825 H826 L831 I832 R833 L888 Y891 D895 F896 L899 | G825-L829 WeakPolarHBondContact O-CG 3.37Å; G825-L829 PolarHBondContact O-N 3.1Å; G825-L829 VanDerWaalsContact O-N 3.08Å; H826-L829 PolarHBondContact O-N 3.19Å; H826-L829 VanDerWaalsContact O-N 3.13Å; L829-L831 VanDerWaalsContact C-N 3.34Å; L829-L831 PolarHBondContact O-N 3.14Å; L829-I832 PolarHBondContact O-N 3.28Å; L829-R833 WeakPolarHBondContact O-CB 3.4Å; L829-R833 PolarHBondContact O-N 3.41Å; L829-L888 HydrophobicContact CD2-CD2 4.21Å; L829-Y891 HydrophobicContact CD1-CE1 4.32Å; L829-D895 HydrophobicContact CD1-CB 3.93Å; L829-F896 HydrophobicContact CD2-CB 4.07Å; L829-F896 HydrophobicContact CD2-CD2 3.76Å; L829-F896 HydrophobicContact CD2-CG 4.38Å; L829-L899 HydrophobicContact CB-CD1 4.05Å; L829-L899 HydrophobicContact CD2-CD1 4.14Å; L829-L899 WeakPolarHBondContact O-CD1 3.33Å |
| 830 | V | 88.9 | Confident | 85.6 | Confident | 37 Ų | 37 | 30 Ų | 30 | 22% | 0.224 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.9 | -43.7 | 176.1 | 175 | 0 | 0 | 0 | 0 | 111.1 | H826 C827 R833 S834 F841 | H826-V830 WeakPolarHBondContact O-CG2 3.39Å; H826-V830 PolarHBondContact O-N 3.48Å; C827-V830 PolarHBondContact O-N 3.15Å; V830-R833 PolarHBondContact O-N 3.43Å; V830-S834 PolarHBondContact O-N 2.88Å; V830-S834 PolarHBondContact O-OG 3.36Å; V830-F841 HydrophobicContact CG1-CD2 3.8Å; V830-F841 HydrophobicContact CG1-CE2 3.82Å |
| 831 | L | 91.3 | Very high | 86.2 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.3 | -43.6 | 176.2 | 178.2 | 67.2 | 0 | 0 | 0 | 112.4 | L781 T785 F791 P794 F795 L798 C827 L828 L829 R833 S834 A835 | L781-L831 HydrophobicContact CD1-CB 4.45Å; L781-L831 HydrophobicContact CD2-CB 4.31Å; L781-L831 HydrophobicContact CD2-CD1 4.02Å; L781-L831 HydrophobicContact CD2-CD2 4.3Å; L781-L831 HydrophobicContact CD2-CG 4.45Å; T785-L831 HydrophobicContact CG2-CD1 3.76Å; F791-L831 HydrophobicContact CB-CD1 4.47Å; F791-L831 HydrophobicContact CD1-CD1 3.51Å; F791-L831 HydrophobicContact CE1-CD1 4.13Å; F791-L831 HydrophobicContact CG-CD1 4.29Å; P794-L831 HydrophobicContact CB-CD2 4.03Å; P794-L831 HydrophobicContact CG-CD1 4.35Å; P794-L831 HydrophobicContact CG-CD2 4.15Å; F795-L831 HydrophobicContact CB-CD2 3.87Å; F795-L831 HydrophobicContact CD2-CD2 4.44Å; L798-L831 HydrophobicContact CD1-CD2 4.28Å; C827-L831 WeakPolarHBondContact O-CB 3.45Å; C827-L831 PolarHBondContact O-N 2.88Å; L828-L831 PolarHBondContact O-N 3.35Å; L829-L831 VanDerWaalsContact C-N 3.34Å; L829-L831 PolarHBondContact O-N 3.14Å; L831-R833 VanDerWaalsContact C-N 3.33Å; L831-S834 PolarHBondContact O-OG 3.47Å; L831-S834 VanDerWaalsContact O-OG 3.06Å; L831-A835 WeakPolarHBondContact O-CB 3.47Å; L831-A835 PolarHBondContact O-N 3.27Å |
| 832 | I | 91.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.9 | -42.3 | 176.9 | -68.6 | 164 | 0 | 0 | 0 | 110.2 | F795 L828 L829 A835 F836 V858 M862 L888 L899 | F795-I832 HydrophobicContact CD2-CG1 4.29Å; F795-I832 HydrophobicContact CE2-CD1 4.1Å; F795-I832 HydrophobicContact CE2-CG1 3.89Å; L828-I832 HydrophobicContact CD1-CD1 4.19Å; L828-I832 HydrophobicContact CD1-CG1 4.43Å; L828-I832 HydrophobicContact CG-CD1 4.03Å; L828-I832 VanDerWaalsContact O-CG1 3.26Å; L828-I832 WeakPolarHBondContact O-CG1 3.33Å; L828-I832 PolarHBondContact O-N 3.25Å; L829-I832 PolarHBondContact O-N 3.28Å; I832-A835 PolarHBondContact O-N 3Å; I832-F836 HydrophobicContact CG2-CD2 3.95Å; I832-F836 HydrophobicContact CG2-CE2 3.67Å; I832-F836 HydrophobicContact CG2-CZ 4.08Å; I832-F836 WeakPolarHBondContact O-CG 3.44Å; I832-F836 PolarHBondContact O-N 3.04Å; I832-V858 HydrophobicContact CG1-CG1 4.29Å; I832-M862 HydrophobicContact CD1-CE 4.19Å; I832-M862 HydrophobicContact CG1-CE 4.4Å; I832-M862 HydrophobicContact CG2-CE 3.41Å; I832-M862 VanDerWaalsContact CG2-CE 3.41Å; I832-L888 HydrophobicContact CD1-CD1 4.08Å; I832-L888 HydrophobicContact CD1-CD2 4.18Å; I832-L899 HydrophobicContact CB-CD1 4.3Å; I832-L899 HydrophobicContact CG2-CD1 4.28Å; I832-L899 HydrophobicContact CG2-CD2 4.02Å |
| 833 | R | 90.5 | Very high | 86.5 | Confident | 66 Ų | 66 | 28.5 Ų | 28.5 | 25% | 0.249 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64 | -46.4 | 179.4 | 177.6 | 62.4 | -170.7 | 97.7 | -14.5 | 111.9 | L829 V830 L831 F836 A837 L899 D906 | L829-R833 WeakPolarHBondContact O-CB 3.4Å; L829-R833 PolarHBondContact O-N 3.41Å; V830-R833 PolarHBondContact O-N 3.43Å; L831-R833 VanDerWaalsContact C-N 3.33Å; R833-F836 PolarHBondContact O-N 2.99Å; R833-A837 VanDerWaalsContact NH1-CB 3.26Å; R833-A837 PolarHBondContact O-N 3.44Å; R833-L899 HydrophobicContact CB-CD1 3.85Å; R833-L899 HydrophobicContact CB-CG 3.96Å; R833-D906 IonicContact CZ-OD1 3.29Å; R833-D906 IonicContact CZ-OD2 3.37Å; R833-D906 VanDerWaalsContact NH1-CG 3.35Å; R833-D906 IonicContact NH1-OD1 3.43Å; R833-D906 PolarHBondContact NH1-OD1 2.82Å; R833-D906 VanDerWaalsContact NH1-OD1 3.16Å; R833-D906 IonicContact NH1-OD2 3.12Å; R833-D906 PolarHBondContact NH1-OD2 2.85Å; R833-D906 IonicContact NH2-OD1 2.82Å; R833-D906 PolarHBondContact NH2-OD1 3.16Å; R833-D906 IonicContact NH2-OD2 3.47Å |
| 834 | S | 88.3 | Confident | 86.5 | Confident | 5 Ų | 5 | 25.9 Ų | 25.9 | 4% | 0.035 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.2 | -41.4 | 178.5 | 60.1 | 0 | 0 | 0 | 0 | 110.9 | V830 L831 F836 A837 G838 E839 | V830-S834 PolarHBondContact O-N 2.88Å; V830-S834 PolarHBondContact O-OG 3.36Å; L831-S834 PolarHBondContact O-OG 3.47Å; L831-S834 VanDerWaalsContact O-OG 3.06Å; S834-F836 PolarHBondContact O-N 3.38Å; S834-A837 WeakPolarHBondContact O-CB 3.34Å; S834-A837 PolarHBondContact O-N 3.31Å; S834-G838 PolarHBondContact O-N 3.37Å; S834-G838 VanDerWaalsContact O-N 3.15Å; S834-E839 CarbonylContact C-O 3.31Å; S834-E839 WeakPolarHBondContact CB-O 3.39Å; S834-E839 PolarHBondContact O-N 2.76Å; S834-E839 VanDerWaalsContact O-O 3.05Å |
| 835 | A | 89.7 | Confident | 86.4 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59 | -43.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F791 L831 I832 G838 I854 P855 V858 | F791-A835 HydrophobicContact CD1-CB 4.01Å; F791-A835 HydrophobicContact CE1-CB 4.36Å; L831-A835 WeakPolarHBondContact O-CB 3.47Å; L831-A835 PolarHBondContact O-N 3.27Å; I832-A835 PolarHBondContact O-N 3Å; A835-G838 PolarHBondContact O-N 3.03Å; A835-I854 HydrophobicContact CB-CG2 3.95Å; A835-P855 WeakPolarHBondContact O-CA 3.29Å; A835-P855 WeakPolarHBondContact O-CB 3.28Å; A835-P855 WeakPolarHBondContact O-CD 3.26Å; A835-P855 WeakPolarHBondContact O-CG 3.35Å; A835-V858 HydrophobicContact CB-CB 4.02Å; A835-V858 HydrophobicContact CB-CG1 4.13Å; A835-V858 HydrophobicContact CB-CG2 3.72Å |
| 836 | F | 90.1 | Very high | 86.4 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.8 | -30.1 | 176.7 | -71.9 | -17.4 | 0 | 0 | 0 | 113.9 | I832 R833 S834 G838 V858 F859 M862 L899 L900 F908 F909 | I832-F836 HydrophobicContact CG2-CD2 3.95Å; I832-F836 HydrophobicContact CG2-CE2 3.67Å; I832-F836 HydrophobicContact CG2-CZ 4.08Å; I832-F836 WeakPolarHBondContact O-CG 3.44Å; I832-F836 PolarHBondContact O-N 3.04Å; R833-F836 PolarHBondContact O-N 2.99Å; S834-F836 PolarHBondContact O-N 3.38Å; F836-G838 PolarHBondContact O-N 3.05Å; F836-V858 HydrophobicContact CE1-CG1 4.47Å; F836-F859 HydrophobicContact CE1-CB 3.88Å; F836-F859 HydrophobicContact CE1-CD2 4.19Å; F836-F859 HydrophobicContact CZ-CB 4.41Å; F836-F859 HydrophobicContact CZ-CD2 4.03Å; F836-M862 HydrophobicContact CE1-CE 4.5Å; F836-M862 HydrophobicContact CE2-CE 3.69Å; F836-M862 HydrophobicContact CZ-CE 3.42Å; F836-M862 VanDerWaalsContact CZ-CE 3.42Å; F836-M862 HydrophobicContact CZ-SD 4.45Å; F836-L899 HydrophobicContact CD2-CD2 4.26Å; F836-L900 HydrophobicContact CE2-CD2 4.09Å; F836-F908 HydrophobicContact CD1-CD1 4.48Å; F836-F909 HydrophobicContact CB-CE2 4.38Å; F836-F909 HydrophobicContact CD1-CE2 4.34Å; F836-F909 AromaticContact CD2-CE2 3.76Å; F836-F909 HydrophobicContact CD2-CE2 3.76Å; F836-F909 HydrophobicContact CD2-CZ 4.27Å; F836-F909 HydrophobicContact CE2-CE2 4Å; F836-F909 HydrophobicContact CE2-CZ 4.04Å; F836-F909 AromaticContact CG-CE2 3.93Å; F836-F909 HydrophobicContact CG-CE2 3.93Å; F836-F909 HydrophobicContact CZ-CE2 4.4Å; F836-F909 HydrophobicContact CZ-CZ 4.16Å |
| 837 | A | 87.2 | Confident | 86.3 | Confident | 16 Ų | 16 | 32.2 Ų | 32.2 | 13% | 0.132 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.5 | -22.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | R833 S834 E839 | R833-A837 VanDerWaalsContact NH1-CB 3.26Å; R833-A837 PolarHBondContact O-N 3.44Å; S834-A837 WeakPolarHBondContact O-CB 3.34Å; S834-A837 PolarHBondContact O-N 3.31Å; A837-E839 VanDerWaalsContact C-N 3.3Å; A837-E839 HydrophobicContact CB-CB 3.92Å; A837-E839 HydrophobicContact CB-CG 3.7Å |
| 838 | G | 86 | Confident | 85.9 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 32.3 | -163.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S834 A835 F836 L846 H851 | S834-G838 PolarHBondContact O-N 3.37Å; S834-G838 VanDerWaalsContact O-N 3.15Å; A835-G838 PolarHBondContact O-N 3.03Å; F836-G838 PolarHBondContact O-N 3.05Å; G838-L846 WeakPolarHBondContact O-CB 3.25Å; G838-L846 VanDerWaalsContact O-CG 3.31Å; G838-L846 WeakPolarHBondContact O-CG 3.41Å; G838-L846 PolarHBondContact O-N 3.32Å; G838-H851 WeakPolarHBondContact CA-ND1 3.43Å |
| 839 | E | 88.2 | Confident | 85.5 | Confident | 63 Ų | 63 | 40.7 Ų | 40.7 | 29% | 0.294 | 21% | 0.212 | S | C | . | . | B | Isolated β-bridge | trans | -117.7 | 158.2 | 179.8 | -64.2 | 177.8 | 174.4 | 0 | 0 | 111.5 | F791 S834 A837 H843 Q844 | F791-E839 WeakPolarHBondContact CZ-O 3.4Å; S834-E839 CarbonylContact C-O 3.31Å; S834-E839 WeakPolarHBondContact CB-O 3.39Å; S834-E839 PolarHBondContact O-N 2.76Å; S834-E839 VanDerWaalsContact O-O 3.05Å; A837-E839 VanDerWaalsContact C-N 3.3Å; A837-E839 HydrophobicContact CB-CB 3.92Å; A837-E839 HydrophobicContact CB-CG 3.7Å; E839-H843 IonicContact OE2-ND1 3.3Å; E839-Q844 CarbonylContact C-O 3.34Å; E839-Q844 WeakPolarHBondContact CA-O 3.38Å |
| 840 | S | 85.9 | Confident | 85.2 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | trans | -78.2 | 173.6 | 169.5 | 78.9 | 0 | 0 | 0 | 0 | 111.5 | D786 C842 H843 Q844 | D786-S840 WeakPolarHBondContact OD1-CB 3.47Å; D786-S840 PolarHBondContact OD1-OG 3.29Å; S840-C842 VanDerWaalsContact C-N 3.27Å; S840-C842 PolarHBondContact O-N 3.4Å; S840-H843 PolarHBondContact O-N 3.35Å; S840-Q844 PolarHBondContact N-O 3.35Å; S840-Q844 WeakPolarHBondContact OG-CB 3.14Å; S840-Q844 PolarHBondContact OG-N 3.46Å; S840-Q844 PolarHBondContact OG-O 3.3Å | ||
| 841 | F | 83.9 | Confident | 84.9 | Confident | 34 Ų | 34 | 42.3 Ų | 42.3 | 15% | 0.149 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -35.7 | 179.4 | 172.3 | -98.4 | 0 | 0 | 0 | 112.7 | D778 L781 H782 T785 D786 V830 H843 | D778-F841 HydrophobicContact CB-CE1 4.38Å; D778-F841 HydrophobicContact CB-CZ 3.81Å; L781-F841 HydrophobicContact CB-CB 4.32Å; L781-F841 HydrophobicContact CB-CD2 3.73Å; L781-F841 HydrophobicContact CB-CE2 4.13Å; L781-F841 HydrophobicContact CB-CG 3.97Å; L781-F841 HydrophobicContact CD1-CD2 3.77Å; L781-F841 HydrophobicContact CD1-CE2 3.89Å; L781-F841 HydrophobicContact CG-CD2 4.42Å; H782-F841 HydrophobicContact CB-CD1 4.19Å; T785-F841 WeakPolarHBondContact OG1-CB 3.15Å; T785-F841 PolarHBondContact OG1-N 2.71Å; T785-F841 VanDerWaalsContact OG1-N 3.14Å; D786-F841 PolarHBondContact OD1-N 3.43Å; D786-F841 VanDerWaalsContact OD1-N 3.08Å; V830-F841 HydrophobicContact CG1-CD2 3.8Å; V830-F841 HydrophobicContact CG1-CE2 3.82Å; F841-H843 PolarHBondContact O-N 3.3Å |
| 842 | C | 77.9 | Confident | 84.4 | Confident | 17 Ų | 17 | 48.4 Ų | 48.4 | 12% | 0.115 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 15.5 | 174.8 | -72.4 | 0 | 0 | 0 | 0 | 114.5 | E687 H782 D786 S840 Q844 | E687-C842 HydrophobicContact CB-CB 4.49Å; H782-C842 PolarHBondContact ND1-SG 3.36Å; D786-C842 PolarHBondContact OD1-N 2.95Å; D786-C842 PolarHBondContact OD2-N 2.65Å; D786-C842 PolarHBondContact OD2-SG 3.07Å; S840-C842 VanDerWaalsContact C-N 3.27Å; S840-C842 PolarHBondContact O-N 3.4Å; C842-Q844 VanDerWaalsContact C-N 3.32Å; C842-Q844 PolarHBondContact O-N 2.97Å |
| 843 | H | 80.6 | Confident | 84.2 | Confident | 129 Ų | 129 | 51.9 Ų | 51.9 | 60% | 0.597 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 61.9 | 33 | -178.1 | -55 | -68.7 | 0 | 0 | 0 | 113.9 | E839 S840 F841 | E839-H843 IonicContact OE2-ND1 3.3Å; S840-H843 PolarHBondContact O-N 3.35Å; F841-H843 PolarHBondContact O-N 3.3Å |
| 844 | Q | 76.8 | Confident | 84.2 | Confident | 52 Ų | 52 | 49.3 Ų | 49.3 | 24% | 0.243 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -92.4 | 136.5 | 171.4 | -55.6 | -158.5 | -14.7 | 0 | 0 | 110.5 | E687 E839 S840 C842 L846 | E687-Q844 VanDerWaalsContact CB-NE2 3.25Å; E687-Q844 PolarHBondContact O-NE2 3.42Å; E687-Q844 VanDerWaalsContact OE2-CD 3.25Å; E687-Q844 PolarHBondContact OE2-OE1 3.32Å; E839-Q844 CarbonylContact C-O 3.34Å; E839-Q844 WeakPolarHBondContact CA-O 3.38Å; S840-Q844 PolarHBondContact N-O 3.35Å; S840-Q844 WeakPolarHBondContact OG-CB 3.14Å; S840-Q844 PolarHBondContact OG-N 3.46Å; S840-Q844 PolarHBondContact OG-O 3.3Å; C842-Q844 VanDerWaalsContact C-N 3.32Å; C842-Q844 PolarHBondContact O-N 2.97Å; Q844-L846 PolarHBondContact O-N 2.92Å |
| 845 | R | 81.6 | Confident | 84.3 | Confident | 160 Ų | 160 | 49.2 Ų | 49.2 | 60% | 0.604 | 26% | 0.256 | S | S | * | . | B | Isolated β-bridge | trans | -65.2 | 128 | 178 | -167.5 | 173.2 | -171.5 | 162.9 | 7.9 | 110.6 | E907 | R845-E907 IonicContact CZ-OE1 2.68Å; R845-E907 VanDerWaalsContact NH2-CD 3.33Å; R845-E907 IonicContact NH2-OE1 3.34Å; R845-E907 PolarHBondContact NH2-OE1 3.41Å; R845-E907 IonicContact NH2-OE2 2.83Å; R845-E907 PolarHBondContact NH2-OE2 3.22Å; R845-E907 VanDerWaalsContact NH2-OE2 3.13Å |
| 846 | L | 84.3 | Confident | 84.2 | Confident | 7 Ų | 7 | 52.6 Ų | 52.6 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -69 | 143.4 | -178.4 | -64.8 | 168.9 | 0 | 0 | 0 | 111.3 | M789 F791 G838 Q844 L850 H851 I854 | M789-L846 HydrophobicContact SD-CD2 3.65Å; F791-L846 HydrophobicContact CE2-CD1 3.97Å; F791-L846 HydrophobicContact CE2-CD2 4.03Å; F791-L846 HydrophobicContact CZ-CD1 3.78Å; F791-L846 HydrophobicContact CZ-CD2 4.06Å; F791-L846 HydrophobicContact CZ-CG 4.5Å; G838-L846 WeakPolarHBondContact O-CB 3.25Å; G838-L846 VanDerWaalsContact O-CG 3.31Å; G838-L846 WeakPolarHBondContact O-CG 3.41Å; G838-L846 PolarHBondContact O-N 3.32Å; Q844-L846 PolarHBondContact O-N 2.92Å; L846-L850 HydrophobicContact CB-CB 4.42Å; L846-H851 HydrophobicContact CB-CB 4.39Å; L846-I854 HydrophobicContact CD1-CD1 3.75Å |
| 847 | P | 82.6 | Confident | 84.2 | Confident | 73 Ų | 73 | 57.9 Ų | 57.9 | 47% | 0.474 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 143.7 | 178.2 | 26.9 | -31.9 | 0 | 0 | 0 | 111.4 | L850 | P847-L850 HydrophobicContact CG-CD1 4.29Å; P847-L850 VanDerWaalsContact O-CB 3.27Å; P847-L850 WeakPolarHBondContact O-CB 3.45Å; P847-L850 PolarHBondContact O-N 3.36Å |
| 848 | S | 79.5 | Confident | 84.3 | Confident | 107 Ų | 107 | 57.2 Ų | 57.2 | 75% | 0.748 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 136.3 | 173.5 | 179.4 | 0 | 0 | 0 | 0 | 111 | ||
| 849 | P | 80.9 | Confident | 84.5 | Confident | 75 Ų | 75 | 57.4 Ų | 57.4 | 49% | 0.487 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -91.7 | 2.5 | 8.7 | 36.3 | -35.7 | 0 | 0 | 0 | 115.5 | H851 Q852 D853 | P849-H851 VanDerWaalsContact C-N 3.28Å; P849-H851 PolarHBondContact O-N 3.4Å; P849-Q852 PolarHBondContact O-N 3.28Å; P849-D853 PolarHBondContact O-N 2.96Å |
| 850 | L | 84.1 | Confident | 84.6 | Confident | 53 Ų | 53 | 57.8 Ų | 57.8 | 28% | 0.277 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.5 | -34.4 | -173.2 | -66.6 | 175.9 | 0 | 0 | 0 | 113.3 | M789 L846 P847 Q852 D853 I854 | M789-L850 HydrophobicContact CB-CD1 4.03Å; L846-L850 HydrophobicContact CB-CB 4.42Å; P847-L850 HydrophobicContact CG-CD1 4.29Å; P847-L850 VanDerWaalsContact O-CB 3.27Å; P847-L850 WeakPolarHBondContact O-CB 3.45Å; P847-L850 PolarHBondContact O-N 3.36Å; L850-Q852 PolarHBondContact O-N 2.94Å; L850-Q852 VanDerWaalsContact O-N 3.15Å; L850-D853 PolarHBondContact O-N 3.11Å; L850-I854 HydrophobicContact CB-CD1 3.8Å; L850-I854 HydrophobicContact CD2-CD1 4.18Å; L850-I854 HydrophobicContact CG-CD1 4.46Å; L850-I854 WeakPolarHBondContact O-CB 3.39Å; L850-I854 PolarHBondContact O-N 2.94Å; L850-I854 VanDerWaalsContact O-N 3.09Å |
| 851 | H | 83 | Confident | 84.7 | Confident | 27 Ų | 27 | 59.1 Ų | 59.1 | 13% | 0.125 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -51.4 | -32 | 172.8 | 171.1 | 66.1 | 0 | 0 | 0 | 113.9 | G838 L846 P849 P855 E907 | G838-H851 WeakPolarHBondContact CA-ND1 3.43Å; L846-H851 HydrophobicContact CB-CB 4.39Å; P849-H851 VanDerWaalsContact C-N 3.28Å; P849-H851 PolarHBondContact O-N 3.4Å; H851-P855 VanDerWaalsContact O-CD 3.28Å; H851-P855 WeakPolarHBondContact O-CD 3.14Å; H851-P855 WeakPolarHBondContact O-CG 3.05Å; H851-E907 IonicContact CD2-OE2 3.38Å; H851-E907 IonicContact CE1-OE2 2.81Å; H851-E907 PolarHBondContact CE1-OE2 2.93Å; H851-E907 IonicContact NE2-OE2 3.31Å; H851-E907 PolarHBondContact NE2-OE2 3.08Å |
| 852 | Q | 80.5 | Confident | 84.9 | Confident | 129 Ų | 129 | 57.5 Ų | 57.5 | 60% | 0.603 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -96.7 | -37.7 | -179.2 | -66.4 | 179.8 | -10.8 | 0 | 0 | 112.6 | P849 L850 | P849-Q852 PolarHBondContact O-N 3.28Å; L850-Q852 PolarHBondContact O-N 2.94Å; L850-Q852 VanDerWaalsContact O-N 3.15Å |
| 853 | D | 87.6 | Confident | 85.3 | Confident | 74 Ų | 74 | 56.9 Ų | 56.9 | 40% | 0.396 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -75 | -39.8 | -174 | -71.6 | -21.5 | 0 | 0 | 0 | 113.2 | P849 L850 L856 K857 | P849-D853 PolarHBondContact O-N 2.96Å; L850-D853 PolarHBondContact O-N 3.11Å; D853-L856 PolarHBondContact O-N 3.4Å; D853-K857 WeakPolarHBondContact O-CG 3.14Å; D853-K857 PolarHBondContact O-N 3.04Å |
| 854 | I | 90 | Very high | 85.5 | Confident | 12 Ų | 12 | 51.8 Ų | 51.8 | 6% | 0.062 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.5 | -49.7 | -175.8 | -71.7 | 163.4 | 0 | 0 | 0 | 112.4 | F791 A835 L846 L850 L856 K857 V858 | F791-I854 HydrophobicContact CB-CG2 3.94Å; F791-I854 HydrophobicContact CD1-CG2 3.85Å; F791-I854 HydrophobicContact CD2-CD1 3.57Å; F791-I854 HydrophobicContact CD2-CG1 4.22Å; F791-I854 HydrophobicContact CD2-CG2 3.91Å; F791-I854 HydrophobicContact CE1-CG2 4.29Å; F791-I854 HydrophobicContact CE2-CD1 3.69Å; F791-I854 HydrophobicContact CE2-CG2 4.36Å; F791-I854 HydrophobicContact CG-CD1 4.39Å; F791-I854 HydrophobicContact CG-CG2 3.63Å; A835-I854 HydrophobicContact CB-CG2 3.95Å; L846-I854 HydrophobicContact CD1-CD1 3.75Å; L850-I854 HydrophobicContact CB-CD1 3.8Å; L850-I854 HydrophobicContact CD2-CD1 4.18Å; L850-I854 HydrophobicContact CG-CD1 4.46Å; L850-I854 WeakPolarHBondContact O-CB 3.39Å; L850-I854 PolarHBondContact O-N 2.94Å; L850-I854 VanDerWaalsContact O-N 3.09Å; I854-L856 VanDerWaalsContact C-N 3.26Å; I854-L856 PolarHBondContact O-N 2.92Å; I854-K857 PolarHBondContact O-N 3.43Å; I854-V858 HydrophobicContact CG2-CG2 4.44Å; I854-V858 PolarHBondContact O-N 2.82Å |
| 855 | P | 89.9 | Confident | 85.2 | Confident | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.019 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -53.6 | -44.1 | 176.2 | -18.8 | 19.4 | 0 | 0 | 0 | 112.5 | A835 H851 V858 F859 F908 | A835-P855 WeakPolarHBondContact O-CA 3.29Å; A835-P855 WeakPolarHBondContact O-CB 3.28Å; A835-P855 WeakPolarHBondContact O-CD 3.26Å; A835-P855 WeakPolarHBondContact O-CG 3.35Å; H851-P855 VanDerWaalsContact O-CD 3.28Å; H851-P855 WeakPolarHBondContact O-CD 3.14Å; H851-P855 WeakPolarHBondContact O-CG 3.05Å; P855-V858 PolarHBondContact O-N 3.26Å; P855-F859 WeakPolarHBondContact O-CB 3.44Å; P855-F859 PolarHBondContact O-N 2.93Å; P855-F908 HydrophobicContact CB-CB 4.05Å; P855-F908 HydrophobicContact CB-CD1 4.2Å; P855-F908 HydrophobicContact CB-CD2 3.51Å; P855-F908 HydrophobicContact CB-CE2 3.93Å; P855-F908 HydrophobicContact CB-CG 3.65Å; P855-F908 HydrophobicContact CB-CZ 4.44Å; P855-F908 HydrophobicContact CG-CD2 4.38Å |
| 856 | L | 88.6 | Confident | 84.5 | Confident | 70 Ų | 70 | 51.8 Ų | 51.8 | 37% | 0.366 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66 | -41.3 | -178.8 | -174.5 | 64.4 | 0 | 0 | 0 | 112.3 | D853 I854 N860 F908 | D853-L856 PolarHBondContact O-N 3.4Å; I854-L856 VanDerWaalsContact C-N 3.26Å; I854-L856 PolarHBondContact O-N 2.92Å; L856-N860 PolarHBondContact O-N 3.35Å; L856-N860 VanDerWaalsContact O-N 3.1Å; L856-N860 PolarHBondContact O-ND2 3.31Å; L856-N860 VanDerWaalsContact O-ND2 3.07Å; L856-F908 HydrophobicContact CB-CE2 3.94Å; L856-F908 HydrophobicContact CB-CZ 4.41Å; L856-F908 HydrophobicContact CD1-CE2 4.07Å; L856-F908 HydrophobicContact CD1-CZ 4.11Å |
| 857 | K | 88.9 | Confident | 83.4 | Confident | 113 Ų | 113 | 54.1 Ų | 54.1 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.7 | -51.4 | 176.7 | -76 | 176.1 | -177.8 | -178.3 | 0 | 111.2 | D853 I854 F859 N860 L861 | D853-K857 WeakPolarHBondContact O-CG 3.14Å; D853-K857 PolarHBondContact O-N 3.04Å; I854-K857 PolarHBondContact O-N 3.43Å; K857-F859 VanDerWaalsContact C-N 3.32Å; K857-F859 PolarHBondContact O-N 3.17Å; K857-N860 PolarHBondContact O-N 3.1Å; K857-L861 WeakPolarHBondContact O-CG 3.49Å; K857-L861 PolarHBondContact O-N 3.33Å |
| 858 | V | 90.3 | Very high | 81.8 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.5 | -38.8 | -179.9 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | F795 I832 A835 F836 I854 P855 N860 L861 M862 | F795-V858 HydrophobicContact CD2-CG1 4.1Å; F795-V858 HydrophobicContact CE2-CG1 4Å; I832-V858 HydrophobicContact CG1-CG1 4.29Å; A835-V858 HydrophobicContact CB-CB 4.02Å; A835-V858 HydrophobicContact CB-CG1 4.13Å; A835-V858 HydrophobicContact CB-CG2 3.72Å; F836-V858 HydrophobicContact CE1-CG1 4.47Å; I854-V858 HydrophobicContact CG2-CG2 4.44Å; I854-V858 PolarHBondContact O-N 2.82Å; P855-V858 PolarHBondContact O-N 3.26Å; V858-N860 PolarHBondContact O-N 3.09Å; V858-L861 PolarHBondContact O-N 2.96Å; V858-M862 PolarHBondContact O-N 3.35Å |
| 859 | F | 90.4 | Very high | 80.2 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 174.7 | -176.6 | -104.7 | 0 | 0 | 0 | 112.5 | F836 P855 K857 M862 L863 F908 F909 R918 L922 | F836-F859 HydrophobicContact CE1-CB 3.88Å; F836-F859 HydrophobicContact CE1-CD2 4.19Å; F836-F859 HydrophobicContact CZ-CB 4.41Å; F836-F859 HydrophobicContact CZ-CD2 4.03Å; P855-F859 WeakPolarHBondContact O-CB 3.44Å; P855-F859 PolarHBondContact O-N 2.93Å; K857-F859 VanDerWaalsContact C-N 3.32Å; K857-F859 PolarHBondContact O-N 3.17Å; F859-M862 PolarHBondContact O-N 3.48Å; F859-L863 HydrophobicContact CD1-CD1 4.19Å; F859-L863 HydrophobicContact CD2-CD1 4.4Å; F859-L863 HydrophobicContact CE1-CD1 3.55Å; F859-L863 HydrophobicContact CE2-CD1 3.79Å; F859-L863 HydrophobicContact CZ-CD1 3.32Å; F859-L863 HydrophobicContact CZ-CG 4.44Å; F859-L863 PolarHBondContact O-N 3.25Å; F859-L863 VanDerWaalsContact O-N 3.11Å; F859-F908 HydrophobicContact CB-CE1 3.9Å; F859-F908 HydrophobicContact CB-CZ 3.82Å; F859-F908 HydrophobicContact CD1-CE1 4.47Å; F859-F908 HydrophobicContact CD1-CZ 4.26Å; F859-F908 AromaticContact CD2-CE1 3.93Å; F859-F908 HydrophobicContact CD2-CE1 3.93Å; F859-F908 HydrophobicContact CD2-CZ 4.48Å; F859-F908 AromaticContact CG-CE1 3.86Å; F859-F908 HydrophobicContact CG-CE1 3.86Å; F859-F908 AromaticContact CG-CZ 3.96Å; F859-F908 HydrophobicContact CG-CZ 3.96Å; F859-F909 HydrophobicContact CD2-CE1 4.19Å; F859-F909 AromaticContact CD2-CZ 3.99Å; F859-F909 HydrophobicContact CD2-CZ 3.99Å; F859-F909 AromaticContact CE2-CE1 3.77Å; F859-F909 HydrophobicContact CE2-CE1 3.77Å; F859-F909 AromaticContact CE2-CZ 3.98Å; F859-F909 HydrophobicContact CE2-CZ 3.98Å; F859-R918 HydrophobicContact CE1-CB 4.26Å; F859-R918 HydrophobicContact CE1-CG 4.2Å; F859-R918 HydrophobicContact CZ-CB 3.95Å; F859-R918 HydrophobicContact CZ-CG 4.39Å; F859-L922 HydrophobicContact CE2-CB 4.35Å |
| 860 | N | 89.6 | Confident | 78.7 | Confident | 71 Ų | 71 | 57.9 Ų | 57.9 | 38% | 0.38 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -69.1 | -36 | 178.3 | -73.3 | -39.7 | 0 | 0 | 0 | 112.6 | L856 K857 V858 L863 S864 | L856-N860 PolarHBondContact O-N 3.35Å; L856-N860 VanDerWaalsContact O-N 3.1Å; L856-N860 PolarHBondContact O-ND2 3.31Å; L856-N860 VanDerWaalsContact O-ND2 3.07Å; K857-N860 PolarHBondContact O-N 3.1Å; V858-N860 PolarHBondContact O-N 3.09Å; N860-L863 PolarHBondContact O-N 2.85Å; N860-S864 PolarHBondContact O-N 3.04Å; N860-S864 VanDerWaalsContact O-N 3.1Å |
| 861 | L | 88 | Confident | 76.9 | Confident | 30 Ų | 30 | 65 Ų | 65 | 16% | 0.157 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 174.4 | -71 | 171.5 | 0 | 0 | 0 | 111.5 | E792 F795 K857 V858 S864 | E792-L861 HydrophobicContact CG-CD1 4.36Å; F795-L861 HydrophobicContact CD1-CB 4.15Å; F795-L861 HydrophobicContact CD1-CD1 3.88Å; F795-L861 HydrophobicContact CE1-CB 3.6Å; F795-L861 HydrophobicContact CE1-CD1 4.22Å; F795-L861 HydrophobicContact CE1-CG 4.46Å; F795-L861 HydrophobicContact CG-CD1 4.46Å; F795-L861 HydrophobicContact CZ-CB 4.03Å; K857-L861 WeakPolarHBondContact O-CG 3.49Å; K857-L861 PolarHBondContact O-N 3.33Å; V858-L861 PolarHBondContact O-N 2.96Å; L861-S864 WeakPolarHBondContact O-CB 3.33Å; L861-S864 PolarHBondContact O-N 3.16Å |
| 862 | M | 88.4 | Confident | 75 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 176.9 | -173.4 | -165.5 | -60.2 | 0 | 0 | 112.7 | I832 F836 V858 F859 S864 L885 L888 F896 | I832-M862 HydrophobicContact CD1-CE 4.19Å; I832-M862 HydrophobicContact CG1-CE 4.4Å; I832-M862 HydrophobicContact CG2-CE 3.41Å; I832-M862 VanDerWaalsContact CG2-CE 3.41Å; F836-M862 HydrophobicContact CE1-CE 4.5Å; F836-M862 HydrophobicContact CE2-CE 3.69Å; F836-M862 HydrophobicContact CZ-CE 3.42Å; F836-M862 VanDerWaalsContact CZ-CE 3.42Å; F836-M862 HydrophobicContact CZ-SD 4.45Å; V858-M862 PolarHBondContact O-N 3.35Å; F859-M862 PolarHBondContact O-N 3.48Å; M862-S864 VanDerWaalsContact C-N 3.33Å; M862-L885 HydrophobicContact CG-CD1 4.46Å; M862-L885 HydrophobicContact SD-CD1 4.28Å; M862-L888 HydrophobicContact CG-CD1 3.99Å; M862-L888 HydrophobicContact SD-CD1 4.43Å; M862-F896 HydrophobicContact CE-CE2 4.21Å; M862-F896 HydrophobicContact SD-CE2 4.11Å; M862-F896 HydrophobicContact SD-CZ 3.82Å |
| 863 | L | 86.4 | Confident | 73.2 | Confident | 3 Ų | 3 | 71.4 Ų | 71.4 | 2% | 0.016 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 12.4 | -178.8 | -61.6 | -174.4 | 0 | 0 | 0 | 113.8 | F859 N860 E865 Y882 L885 R921 L922 C925 | F859-L863 HydrophobicContact CD1-CD1 4.19Å; F859-L863 HydrophobicContact CD2-CD1 4.4Å; F859-L863 HydrophobicContact CE1-CD1 3.55Å; F859-L863 HydrophobicContact CE2-CD1 3.79Å; F859-L863 HydrophobicContact CZ-CD1 3.32Å; F859-L863 HydrophobicContact CZ-CG 4.44Å; F859-L863 PolarHBondContact O-N 3.25Å; F859-L863 VanDerWaalsContact O-N 3.11Å; N860-L863 PolarHBondContact O-N 2.85Å; L863-E865 PolarHBondContact O-N 3.39Å; L863-Y882 WeakPolarHBondContact O-CD1 3.39Å; L863-L885 HydrophobicContact CD2-CD2 4.32Å; L863-R921 HydrophobicContact CD1-CG 4.24Å; L863-L922 HydrophobicContact CD2-CD1 4.05Å; L863-C925 HydrophobicContact CD2-CB 4.13Å |
| 864 | S | 83.5 | Confident | 71.5 | Confident | 23 Ų | 23 | 69.7 Ų | 69.7 | 16% | 0.161 | 35% | 0.353 | C | S | . | . | trans | -65.9 | 133.1 | 178.9 | -174 | 0 | 0 | 0 | 0 | 110.9 | N860 L861 M862 S866 P883 | N860-S864 PolarHBondContact O-N 3.04Å; N860-S864 VanDerWaalsContact O-N 3.1Å; L861-S864 WeakPolarHBondContact O-CB 3.33Å; L861-S864 PolarHBondContact O-N 3.16Å; M862-S864 VanDerWaalsContact C-N 3.33Å; S864-S866 WeakPolarHBondContact CB-O 3.42Å; S864-S866 PolarHBondContact O-N 3.34Å; S864-S866 PolarHBondContact OG-N 3.46Å; S864-S866 PolarHBondContact OG-O 3.18Å; S864-P883 WeakPolarHBondContact O-CD 3.49Å | ||
| 865 | E | 72.1 | Confident | 69.5 | Low | 143 Ų | 143 | 75.8 Ų | 75.8 | 67% | 0.668 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -78.3 | -8.1 | 174.4 | -66.7 | -176.1 | 177.1 | 0 | 0 | 112.5 | L863 Y882 | L863-E865 PolarHBondContact O-N 3.39Å; E865-Y882 HydrophobicContact CG-CD1 3.9Å; E865-Y882 HydrophobicContact CG-CE1 3.49Å; E865-Y882 VanDerWaalsContact CG-CE1 3.49Å; E865-Y882 WeakPolarHBondContact OE1-CE1 3.47Å; E865-Y882 PolarHBondContact OE1-OH 3.24Å; E865-Y882 VanDerWaalsContact OE1-OH 3.12Å |
| 866 | S | 65.5 | Low | 67.6 | Low | 69 Ų | 69 | 80 Ų | 80 | 48% | 0.483 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -131.8 | 142 | 176.8 | 61.2 | 0 | 0 | 0 | 0 | 111.6 | S864 L868 | S864-S866 WeakPolarHBondContact CB-O 3.42Å; S864-S866 PolarHBondContact O-N 3.34Å; S864-S866 PolarHBondContact OG-N 3.46Å; S864-S866 PolarHBondContact OG-O 3.18Å; S866-L868 PolarHBondContact O-N 3.21Å; S866-L868 VanDerWaalsContact O-N 3.14Å |
| 867 | F | 61.8 | Low | 66 | Low | 55 Ų | 55 | 77.8 Ų | 77.8 | 24% | 0.241 | 40% | 0.4 | C | S | . | . | trans | -70.8 | 104.4 | 164.4 | -73.6 | -75.6 | 0 | 0 | 0 | 108 | I799 N869 V870 P883 V884 | I799-F867 HydrophobicContact CG2-CD1 4.48Å; I799-F867 HydrophobicContact CG2-CE1 4.23Å; F867-N869 PolarHBondContact O-N 3.16Å; F867-V870 HydrophobicContact CB-CB 4.29Å; F867-V870 HydrophobicContact CB-CG2 3.95Å; F867-V870 HydrophobicContact CG-CG2 4.43Å; F867-P883 HydrophobicContact CD2-CB 4.14Å; F867-P883 HydrophobicContact CD2-CG 3.97Å; F867-P883 HydrophobicContact CE2-CB 3.41Å; F867-P883 VanDerWaalsContact CE2-CB 3.41Å; F867-P883 HydrophobicContact CE2-CG 3.75Å; F867-P883 HydrophobicContact CZ-CB 3.71Å; F867-P883 HydrophobicContact CZ-CG 4.15Å; F867-V884 HydrophobicContact CD1-CG2 4.13Å; F867-V884 HydrophobicContact CE1-CG2 3.81Å | ||
| 868 | L | 49.2 | Very low | 64.2 | Low | 118 Ų | 118 | 77.9 Ų | 77.9 | 62% | 0.618 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 118.6 | 168.5 | -74.6 | 158.8 | 0 | 0 | 0 | 107.4 | S866 | S866-L868 PolarHBondContact O-N 3.21Å; S866-L868 VanDerWaalsContact O-N 3.14Å |
| 869 | N | 46.2 | Very low | 62.6 | Low | 161 Ų | 161 | 85.5 Ų | 85.5 | 86% | 0.861 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 32.7 | 173.5 | -73.5 | -20.5 | 0 | 0 | 0 | 121 | F867 | F867-N869 PolarHBondContact O-N 3.16Š|
| 870 | V | 48.6 | Very low | 61.4 | Low | 55 Ų | 55 | 86.7 Ų | 86.7 | 33% | 0.333 | 45% | 0.451 | S | S | . | . | trans | -108.8 | 112.7 | 169.7 | -171.2 | 0 | 0 | 0 | 0 | 111.9 | F867 Y872 | F867-V870 HydrophobicContact CB-CB 4.29Å; F867-V870 HydrophobicContact CB-CG2 3.95Å; F867-V870 HydrophobicContact CG-CG2 4.43Å; V870-Y872 WeakPolarHBondContact CG1-O 3.47Å; V870-Y872 PolarHBondContact O-N 3.16Å | ||
| 871 | K | 46.4 | Very low | 60.5 | Low | 204 Ų | 204 | 89 Ų | 89 | 89% | 0.887 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -64.1 | 1 | 173.8 | -110.8 | 178.2 | -179.2 | 176.7 | 0 | 114.6 | ||
| 872 | Y | 44.5 | Very low | 60.2 | Low | 188 Ų | 188 | 88.6 Ų | 88.6 | 74% | 0.737 | 45% | 0.454 | S | S | * | . | trans | -128.9 | 96.9 | -177.1 | -64.2 | -79.3 | 0 | 0 | 0 | 109.2 | V870 L874 | V870-Y872 WeakPolarHBondContact CG1-O 3.47Å; V870-Y872 PolarHBondContact O-N 3.16Å; Y872-L874 PolarHBondContact O-N 3.37Å | ||
| 873 | S | 42.5 | Very low | 59.7 | Low | 102 Ų | 102 | 89 Ų | 89 | 71% | 0.713 | 46% | 0.457 | S | S | * | . | trans | -68.8 | 110.6 | 166.2 | 48.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 874 | L | 49.9 | Very low | 59.5 | Low | 38 Ų | 38 | 89.1 Ų | 89.1 | 20% | 0.199 | 46% | 0.458 | C | S | . | . | trans | -79.8 | 131.2 | -176.3 | -92.7 | 158.7 | 0 | 0 | 0 | 112.2 | T803 N807 Y872 C876 F877 Q878 | T803-L874 HydrophobicContact CG2-CD1 3.47Å; T803-L874 VanDerWaalsContact CG2-CD1 3.47Å; N807-L874 HydrophobicContact CB-CD2 4.39Å; N807-L874 VanDerWaalsContact ND2-CD1 3.3Å; N807-L874 WeakPolarHBondContact ND2-CD1 3.4Å; N807-L874 WeakPolarHBondContact ND2-CD2 3.44Å; N807-L874 WeakPolarHBondContact OD1-CD2 3.28Å; Y872-L874 PolarHBondContact O-N 3.37Å; L874-C876 PolarHBondContact O-N 3.48Å; L874-F877 HydrophobicContact CB-CD2 4.16Å; L874-F877 PolarHBondContact O-N 3.29Å; L874-Q878 PolarHBondContact O-N 3.34Å | ||
| 875 | I | 49.5 | Very low | 59.6 | Low | 140 Ų | 140 | 88 Ų | 88 | 72% | 0.718 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -58.7 | -35.8 | -178.1 | -62.8 | 168.3 | 0 | 0 | 0 | 111.3 | F877 Q878 | I875-F877 VanDerWaalsContact C-N 3.28Å; I875-F877 PolarHBondContact O-N 2.94Å; I875-Q878 PolarHBondContact O-N 3.03Å |
| 876 | C | 49.3 | Very low | 60.1 | Low | 91 Ų | 91 | 82.8 Ų | 82.8 | 62% | 0.615 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -69.4 | -19.1 | -177.9 | -63.8 | 0 | 0 | 0 | 0 | 114.9 | L874 | L874-C876 PolarHBondContact O-N 3.48Š|
| 877 | F | 54.5 | Low | 60.9 | Low | 23 Ų | 23 | 79.7 Ų | 79.7 | 10% | 0.101 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -110.9 | 5.3 | -179.9 | -63.7 | -88.5 | 0 | 0 | 0 | 112.7 | L874 I875 N879 V880 P883 H886 L887 | L874-F877 HydrophobicContact CB-CD2 4.16Å; L874-F877 PolarHBondContact O-N 3.29Å; I875-F877 VanDerWaalsContact C-N 3.28Å; I875-F877 PolarHBondContact O-N 2.94Å; F877-N879 PolarHBondContact O-N 3.49Å; F877-N879 VanDerWaalsContact O-N 3.12Å; F877-V880 HydrophobicContact CD1-CB 4.49Å; F877-V880 PolarHBondContact O-N 2.91Å; F877-V880 VanDerWaalsContact O-N 3.15Å; F877-P883 HydrophobicContact CD1-CB 4.14Å; F877-H886 HydrophobicContact CD1-CB 4.49Å; F877-H886 AromaticContact CD1-CD2 3.97Å; F877-H886 HydrophobicContact CE1-CB 4.16Å; F877-H886 AromaticContact CE1-CD2 3.54Å; F877-L887 HydrophobicContact CZ-CD1 4.42Å |
| 878 | Q | 52.1 | Low | 62 | Low | 115 Ų | 115 | 77.2 Ų | 77.2 | 54% | 0.537 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 115.4 | 172.5 | -75.5 | -176.7 | -10.7 | 0 | 0 | 108.8 | L874 I875 | L874-Q878 PolarHBondContact O-N 3.34Å; I875-Q878 PolarHBondContact O-N 3.03Å |
| 879 | N | 57.1 | Low | 63.7 | Low | 163 Ų | 163 | 71.8 Ų | 71.8 | 87% | 0.872 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | 7.3 | -175.6 | -47.2 | -44.8 | 0 | 0 | 0 | 116.9 | F877 | F877-N879 PolarHBondContact O-N 3.49Å; F877-N879 VanDerWaalsContact O-N 3.12Å |
| 880 | V | 64.9 | Low | 65.2 | Low | 29 Ų | 29 | 67.6 Ų | 67.6 | 18% | 0.176 | 34% | 0.34 | C | S | . | . | trans | -86.6 | 123 | 172.5 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | F877 H886 | F877-V880 HydrophobicContact CD1-CB 4.49Å; F877-V880 PolarHBondContact O-N 2.91Å; F877-V880 VanDerWaalsContact O-N 3.15Å; V880-H886 HydrophobicContact CG1-CB 3.71Å | ||
| 881 | K | 69.3 | Low | 66.7 | Low | 119 Ų | 119 | 68.3 Ų | 68.3 | 52% | 0.517 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -74.5 | 131.3 | 172.4 | -68.6 | -172.4 | 177.1 | -176 | 0 | 110 | L928 T929 | K881-L928 HydrophobicContact CD-CD1 4.38Å; K881-T929 PolarHBondContact O-OG1 2.94Å |
| 882 | Y | 81.7 | Confident | 68.3 | Low | 21 Ų | 21 | 60.7 Ų | 60.7 | 8% | 0.082 | 31% | 0.306 | C | S | . | . | S | Bend | trans | 62 | 73.9 | -178.5 | -46.1 | -68.6 | 0 | 0 | 0 | 113.2 | L863 E865 V884 L885 H886 C925 L928 | L863-Y882 WeakPolarHBondContact O-CD1 3.39Å; E865-Y882 HydrophobicContact CG-CD1 3.9Å; E865-Y882 HydrophobicContact CG-CE1 3.49Å; E865-Y882 VanDerWaalsContact CG-CE1 3.49Å; E865-Y882 WeakPolarHBondContact OE1-CE1 3.47Å; E865-Y882 PolarHBondContact OE1-OH 3.24Å; E865-Y882 VanDerWaalsContact OE1-OH 3.12Å; Y882-V884 PolarHBondContact O-N 2.94Å; Y882-L885 WeakPolarHBondContact O-CB 3.45Å; Y882-L885 PolarHBondContact O-N 2.93Å; Y882-H886 PolarHBondContact O-N 3.01Å; Y882-C925 HydrophobicContact CD2-CB 3.7Å; Y882-C925 HydrophobicContact CE2-CB 3.74Å; Y882-C925 WeakPolarHBondContact CE2-SG 3.48Å; Y882-C925 HydrophobicContact CG-CB 4.16Å; Y882-L928 HydrophobicContact CE2-CD1 4.46Å |
| 883 | P | 78.7 | Confident | 70.1 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 5% | 0.052 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.5 | -31.6 | -170.1 | 28.8 | -37.5 | 0 | 0 | 0 | 114 | S864 F867 F877 H886 L887 | S864-P883 WeakPolarHBondContact O-CD 3.49Å; F867-P883 HydrophobicContact CD2-CB 4.14Å; F867-P883 HydrophobicContact CD2-CG 3.97Å; F867-P883 HydrophobicContact CE2-CB 3.41Å; F867-P883 VanDerWaalsContact CE2-CB 3.41Å; F867-P883 HydrophobicContact CE2-CG 3.75Å; F867-P883 HydrophobicContact CZ-CB 3.71Å; F867-P883 HydrophobicContact CZ-CG 4.15Å; F877-P883 HydrophobicContact CD1-CB 4.14Å; P883-H886 PolarHBondContact O-N 3.48Å; P883-L887 VanDerWaalsContact O-CB 3.32Å; P883-L887 WeakPolarHBondContact O-CB 3.49Å; P883-L887 PolarHBondContact O-N 2.95Å |
| 884 | V | 82.2 | Confident | 72.1 | Confident | 7 Ų | 7 | 50.6 Ų | 50.6 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.3 | -41.7 | 174.5 | 176 | 0 | 0 | 0 | 0 | 110.7 | F795 I799 F867 Y882 H886 L887 L888 | F795-V884 HydrophobicContact CZ-CG1 4.42Å; I799-V884 HydrophobicContact CD1-CG1 3.86Å; F867-V884 HydrophobicContact CD1-CG2 4.13Å; F867-V884 HydrophobicContact CE1-CG2 3.81Å; Y882-V884 PolarHBondContact O-N 2.94Å; V884-H886 VanDerWaalsContact C-N 3.33Å; V884-H886 PolarHBondContact O-N 3.48Å; V884-L887 WeakPolarHBondContact O-CB 3.49Å; V884-L887 PolarHBondContact O-N 3Å; V884-L888 HydrophobicContact CG1-CD1 4.25Å; V884-L888 WeakPolarHBondContact O-CG 3.46Å; V884-L888 PolarHBondContact O-N 3.25Å |
| 885 | L | 85.5 | Confident | 73.7 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.5 | -40.2 | 175.5 | -168.1 | 64.9 | 0 | 0 | 0 | 111.4 | M862 L863 Y882 L888 L889 F896 C925 L926 | M862-L885 HydrophobicContact CG-CD1 4.46Å; M862-L885 HydrophobicContact SD-CD1 4.28Å; L863-L885 HydrophobicContact CD2-CD2 4.32Å; Y882-L885 WeakPolarHBondContact O-CB 3.45Å; Y882-L885 PolarHBondContact O-N 2.93Å; L885-L888 PolarHBondContact O-N 3.37Å; L885-L889 WeakPolarHBondContact O-CG 3.38Å; L885-L889 PolarHBondContact O-N 3.4Å; L885-L889 VanDerWaalsContact O-N 3.07Å; L885-F896 HydrophobicContact CD1-CE1 3.6Å; L885-F896 HydrophobicContact CD1-CZ 3.61Å; L885-C925 HydrophobicContact CD2-CB 3.87Å; L885-L926 HydrophobicContact CD1-CD2 3.85Å; L885-L926 HydrophobicContact CD2-CD2 3.89Å; L885-L926 HydrophobicContact CD2-CG 4.15Å; L885-L926 HydrophobicContact CG-CD2 4Å |
| 886 | H | 82.4 | Confident | 75.7 | Confident | 32 Ų | 32 | 45.8 Ų | 45.8 | 15% | 0.148 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.2 | -43.3 | 174.5 | -162.9 | 74.3 | 0 | 0 | 0 | 111.8 | F877 V880 Y882 P883 V884 L888 L889 Q890 T929 | F877-H886 HydrophobicContact CD1-CB 4.49Å; F877-H886 AromaticContact CD1-CD2 3.97Å; F877-H886 HydrophobicContact CE1-CB 4.16Å; F877-H886 AromaticContact CE1-CD2 3.54Å; V880-H886 HydrophobicContact CG1-CB 3.71Å; Y882-H886 PolarHBondContact O-N 3.01Å; P883-H886 PolarHBondContact O-N 3.48Å; V884-H886 VanDerWaalsContact C-N 3.33Å; V884-H886 PolarHBondContact O-N 3.48Å; H886-L888 PolarHBondContact O-N 3.32Å; H886-L889 PolarHBondContact O-N 2.52Å; H886-Q890 VanDerWaalsContact CD2-CD 3.48Å; H886-Q890 PolarHBondContact CD2-NE2 3.11Å; H886-Q890 VanDerWaalsContact CD2-NE2 3.28Å; H886-Q890 PolarHBondContact NE2-NE2 3.34Å; H886-Q890 WeakPolarHBondContact O-CB 3.42Å; H886-Q890 WeakPolarHBondContact O-CG 3.49Å; H886-Q890 PolarHBondContact O-N 2.79Å; H886-T929 HydrophobicContact CB-CG2 3.67Å; H886-T929 WeakPolarHBondContact ND1-CG2 3.31Å |
| 887 | L | 82.6 | Confident | 77.6 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.7 | -45.4 | 176.2 | 177.1 | 67.7 | 0 | 0 | 0 | 111.8 | I799 L806 F877 P883 V884 Q890 Y891 | I799-L887 HydrophobicContact CD1-CD2 4.2Å; L806-L887 HydrophobicContact CD1-CD1 3.06Å; F877-L887 HydrophobicContact CZ-CD1 4.42Å; P883-L887 VanDerWaalsContact O-CB 3.32Å; P883-L887 WeakPolarHBondContact O-CB 3.49Å; P883-L887 PolarHBondContact O-N 2.95Å; V884-L887 WeakPolarHBondContact O-CB 3.49Å; V884-L887 PolarHBondContact O-N 3Å; L887-Q890 PolarHBondContact O-N 2.67Å; L887-Y891 WeakPolarHBondContact O-CB 3.48Å; L887-Y891 PolarHBondContact O-N 3.5Å |
| 888 | L | 86 | Confident | 79.1 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.4 | -41.4 | 178.4 | -69.9 | 168.5 | 0 | 0 | 0 | 112.1 | L828 L829 I832 M862 V884 L885 H886 Y891 N892 F896 | L828-L888 HydrophobicContact CD2-CD2 3.9Å; L828-L888 HydrophobicContact CG-CD2 4.49Å; L829-L888 HydrophobicContact CD2-CD2 4.21Å; I832-L888 HydrophobicContact CD1-CD1 4.08Å; I832-L888 HydrophobicContact CD1-CD2 4.18Å; M862-L888 HydrophobicContact CG-CD1 3.99Å; M862-L888 HydrophobicContact SD-CD1 4.43Å; V884-L888 HydrophobicContact CG1-CD1 4.25Å; V884-L888 WeakPolarHBondContact O-CG 3.46Å; V884-L888 PolarHBondContact O-N 3.25Å; L885-L888 PolarHBondContact O-N 3.37Å; H886-L888 PolarHBondContact O-N 3.32Å; L888-Y891 PolarHBondContact O-N 3.47Å; L888-N892 PolarHBondContact O-N 2.9Å; L888-N892 VanDerWaalsContact O-N 3.12Å; L888-F896 HydrophobicContact CB-CD1 4.15Å; L888-F896 HydrophobicContact CB-CD2 4.09Å; L888-F896 HydrophobicContact CB-CE1 4.23Å; L888-F896 HydrophobicContact CB-CE2 4.19Å; L888-F896 HydrophobicContact CB-CG 4.07Å; L888-F896 HydrophobicContact CB-CZ 4.25Å; L888-F896 HydrophobicContact CD1-CD2 4.16Å; L888-F896 HydrophobicContact CD1-CE2 3.61Å; L888-F896 HydrophobicContact CD1-CZ 3.88Å; L888-F896 HydrophobicContact CG-CE2 4.4Å |
| 889 | L | 83.3 | Confident | 81 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.8 | -39.2 | 175.9 | -72.7 | 170.9 | 0 | 0 | 0 | 112.5 | L885 H886 A893 F896 L897 L926 T929 I969 V973 | L885-L889 WeakPolarHBondContact O-CG 3.38Å; L885-L889 PolarHBondContact O-N 3.4Å; L885-L889 VanDerWaalsContact O-N 3.07Å; H886-L889 PolarHBondContact O-N 2.52Å; L889-A893 HydrophobicContact CD2-CB 4.19Å; L889-A893 WeakPolarHBondContact O-CB 3.46Å; L889-A893 PolarHBondContact O-N 2.87Å; L889-F896 HydrophobicContact CD2-CD1 3.99Å; L889-F896 HydrophobicContact CD2-CE1 4.41Å; L889-F896 HydrophobicContact CG-CD1 4.37Å; L889-L897 HydrophobicContact CD2-CD2 4.33Å; L889-L897 HydrophobicContact CD2-CG 4.39Å; L889-L926 HydrophobicContact CD1-CD2 4.03Å; L889-L926 HydrophobicContact CD2-CD2 4.34Å; L889-L926 HydrophobicContact CG-CD2 4.5Å; L889-T929 HydrophobicContact CD1-CG2 4.07Å; L889-I969 HydrophobicContact CB-CG2 4.35Å; L889-I969 HydrophobicContact CD1-CG2 4.45Å; L889-V973 HydrophobicContact CD2-CG2 4.28Å |
| 890 | Q | 78.9 | Confident | 82.5 | Confident | 73 Ų | 73 | 32.5 Ų | 32.5 | 34% | 0.341 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -69.7 | -35.4 | 176.7 | -76.4 | -172.6 | -18.6 | 0 | 0 | 112.7 | H886 L887 | H886-Q890 VanDerWaalsContact CD2-CD 3.48Å; H886-Q890 PolarHBondContact CD2-NE2 3.11Å; H886-Q890 VanDerWaalsContact CD2-NE2 3.28Å; H886-Q890 PolarHBondContact NE2-NE2 3.34Å; H886-Q890 WeakPolarHBondContact O-CB 3.42Å; H886-Q890 WeakPolarHBondContact O-CG 3.49Å; H886-Q890 PolarHBondContact O-N 2.79Å; L887-Q890 PolarHBondContact O-N 2.67Å |
| 891 | Y | 78.5 | Confident | 83.5 | Confident | 70 Ų | 70 | 34 Ų | 34 | 28% | 0.275 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -68.7 | -58.5 | 178 | 171.3 | -98.3 | 0 | 0 | 0 | 111.4 | E822 G825 H826 L829 L887 L888 | E822-Y891 WeakPolarHBondContact CA-OH 3.2Å; E822-Y891 PolarHBondContact O-OH 3.45Å; G825-Y891 VanDerWaalsContact CA-CZ 3.49Å; G825-Y891 WeakPolarHBondContact CA-OH 3.28Å; H826-Y891 PolarHBondContact N-OH 3.1Å; L829-Y891 HydrophobicContact CD1-CE1 4.32Å; L887-Y891 WeakPolarHBondContact O-CB 3.48Å; L887-Y891 PolarHBondContact O-N 3.5Å; L888-Y891 PolarHBondContact O-N 3.47Å |
| 892 | N | 81.1 | Confident | 84.2 | Confident | 43 Ų | 43 | 33.1 Ų | 33.1 | 23% | 0.23 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -158.3 | 83.3 | 179.9 | -168.4 | -22.3 | 0 | 0 | 0 | 111.3 | L888 I894 D895 F896 | L888-N892 PolarHBondContact O-N 2.9Å; L888-N892 VanDerWaalsContact O-N 3.12Å; N892-I894 PolarHBondContact O-N 3.47Å; N892-I894 VanDerWaalsContact O-N 3.17Å; N892-I894 PolarHBondContact OD1-N 3.2Å; N892-D895 PolarHBondContact ND2-OD2 2.96Å; N892-D895 PolarHBondContact O-N 3.22Å; N892-D895 PolarHBondContact OD1-N 2.78Å; N892-F896 VanDerWaalsContact O-CB 3.24Å; N892-F896 WeakPolarHBondContact O-CB 3.49Å; N892-F896 PolarHBondContact O-N 3.31Å |
| 893 | A | 82.7 | Confident | 84.3 | Confident | 8 Ų | 8 | 32.1 Ų | 32.1 | 7% | 0.066 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.4 | -29.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L889 L897 I969 | L889-A893 HydrophobicContact CD2-CB 4.19Å; L889-A893 WeakPolarHBondContact O-CB 3.46Å; L889-A893 PolarHBondContact O-N 2.87Å; A893-L897 VanDerWaalsContact O-CB 3.26Å; A893-L897 WeakPolarHBondContact O-CB 3.4Å; A893-L897 WeakPolarHBondContact O-CD1 3.44Å; A893-L897 WeakPolarHBondContact O-CG 3.47Å; A893-L897 PolarHBondContact O-N 3Å; A893-I969 HydrophobicContact CB-CG1 4.4Å |
| 894 | I | 83.8 | Confident | 84.4 | Confident | 71 Ų | 71 | 33.2 Ų | 33.2 | 36% | 0.364 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -69.6 | -58.5 | -177.4 | -47.6 | -171.4 | 0 | 0 | 0 | 109.8 | N892 F896 L897 N898 R972 | N892-I894 PolarHBondContact O-N 3.47Å; N892-I894 VanDerWaalsContact O-N 3.17Å; N892-I894 PolarHBondContact OD1-N 3.2Å; I894-F896 VanDerWaalsContact C-N 3.28Å; I894-F896 PolarHBondContact O-N 3.23Å; I894-L897 PolarHBondContact O-N 3.33Å; I894-N898 WeakPolarHBondContact O-CB 3.45Å; I894-N898 PolarHBondContact O-N 3.29Å; I894-N898 PolarHBondContact O-ND2 3.38Å; I894-R972 VanDerWaalsContact CD1-CZ 3.5Å; I894-R972 VanDerWaalsContact CD1-NH2 3.27Å; I894-R972 VanDerWaalsContact CG1-CZ 3.46Å |
| 895 | D | 84.2 | Confident | 84.3 | Confident | 76 Ų | 76 | 37.3 Ų | 37.3 | 41% | 0.406 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -69.2 | -33 | -175 | -67 | -20.7 | 0 | 0 | 0 | 111 | L829 N892 L899 | L829-D895 HydrophobicContact CD1-CB 3.93Å; N892-D895 PolarHBondContact ND2-OD2 2.96Å; N892-D895 PolarHBondContact O-N 3.22Å; N892-D895 PolarHBondContact OD1-N 2.78Å; D895-L899 VanDerWaalsContact O-CB 3.3Å; D895-L899 WeakPolarHBondContact O-CB 3.39Å; D895-L899 PolarHBondContact O-N 3.27Å |
| 896 | F | 90.8 | Very high | 84.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.8 | -46.6 | 174.6 | -179.4 | -115.6 | 0 | 0 | 0 | 112.9 | L829 M862 L885 L888 L889 N892 I894 N898 L899 L900 L926 | L829-F896 HydrophobicContact CD2-CB 4.07Å; L829-F896 HydrophobicContact CD2-CD2 3.76Å; L829-F896 HydrophobicContact CD2-CG 4.38Å; M862-F896 HydrophobicContact CE-CE2 4.21Å; M862-F896 HydrophobicContact SD-CE2 4.11Å; M862-F896 HydrophobicContact SD-CZ 3.82Å; L885-F896 HydrophobicContact CD1-CE1 3.6Å; L885-F896 HydrophobicContact CD1-CZ 3.61Å; L888-F896 HydrophobicContact CB-CD1 4.15Å; L888-F896 HydrophobicContact CB-CD2 4.09Å; L888-F896 HydrophobicContact CB-CE1 4.23Å; L888-F896 HydrophobicContact CB-CE2 4.19Å; L888-F896 HydrophobicContact CB-CG 4.07Å; L888-F896 HydrophobicContact CB-CZ 4.25Å; L888-F896 HydrophobicContact CD1-CD2 4.16Å; L888-F896 HydrophobicContact CD1-CE2 3.61Å; L888-F896 HydrophobicContact CD1-CZ 3.88Å; L888-F896 HydrophobicContact CG-CE2 4.4Å; L889-F896 HydrophobicContact CD2-CD1 3.99Å; L889-F896 HydrophobicContact CD2-CE1 4.41Å; L889-F896 HydrophobicContact CG-CD1 4.37Å; N892-F896 VanDerWaalsContact O-CB 3.24Å; N892-F896 WeakPolarHBondContact O-CB 3.49Å; N892-F896 PolarHBondContact O-N 3.31Å; I894-F896 VanDerWaalsContact C-N 3.28Å; I894-F896 PolarHBondContact O-N 3.23Å; F896-N898 VanDerWaalsContact C-N 3.33Å; F896-N898 PolarHBondContact O-N 2.96Å; F896-L899 WeakPolarHBondContact O-CB 3.41Å; F896-L899 PolarHBondContact O-N 2.87Å; F896-L900 HydrophobicContact CD1-CD1 4.38Å; F896-L900 HydrophobicContact CE1-CD1 3.77Å; F896-L900 HydrophobicContact CE1-CG 4.44Å; F896-L900 HydrophobicContact CE2-CD1 4.42Å; F896-L900 HydrophobicContact CE2-CD2 4.33Å; F896-L900 HydrophobicContact CE2-CG 4.29Å; F896-L900 HydrophobicContact CZ-CD1 3.79Å; F896-L900 HydrophobicContact CZ-CD2 4.29Å; F896-L900 HydrophobicContact CZ-CG 4.15Å; F896-L900 WeakPolarHBondContact O-CG 3.24Å; F896-L900 PolarHBondContact O-N 3.31Å; F896-L926 HydrophobicContact CE1-CD2 4.37Å |
| 897 | L | 89 | Confident | 84.1 | Confident | 9 Ų | 9 | 42 Ų | 42 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.4 | -32.8 | 177.7 | -67 | 173.5 | 0 | 0 | 0 | 111.9 | L889 A893 I894 L900 T901 L926 R972 V973 F976 | L889-L897 HydrophobicContact CD2-CD2 4.33Å; L889-L897 HydrophobicContact CD2-CG 4.39Å; A893-L897 VanDerWaalsContact O-CB 3.26Å; A893-L897 WeakPolarHBondContact O-CB 3.4Å; A893-L897 WeakPolarHBondContact O-CD1 3.44Å; A893-L897 WeakPolarHBondContact O-CG 3.47Å; A893-L897 PolarHBondContact O-N 3Å; I894-L897 PolarHBondContact O-N 3.33Å; L897-L900 HydrophobicContact CD2-CD1 4.35Å; L897-L900 PolarHBondContact O-N 3.25Å; L897-T901 PolarHBondContact O-N 3.42Å; L897-T901 PolarHBondContact O-OG1 3.5Å; L897-L926 HydrophobicContact CD2-CD1 4.44Å; L897-L926 HydrophobicContact CD2-CD2 4.47Å; L897-R972 HydrophobicContact CD1-CB 3.83Å; L897-V973 HydrophobicContact CD1-CG2 4.27Å; L897-F976 HydrophobicContact CB-CD2 4.22Å; L897-F976 HydrophobicContact CB-CG 4.46Å; L897-F976 HydrophobicContact CD1-CB 4.25Å; L897-F976 HydrophobicContact CD2-CB 4.29Å; L897-F976 HydrophobicContact CD2-CD1 3.89Å; L897-F976 HydrophobicContact CD2-CD2 4.3Å; L897-F976 HydrophobicContact CD2-CE1 4.29Å; L897-F976 HydrophobicContact CD2-CG 3.9Å |
| 898 | N | 86.7 | Confident | 84.3 | Confident | 86 Ų | 86 | 42.5 Ų | 42.5 | 46% | 0.46 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.6 | -42.1 | 171.6 | -74 | -19.6 | 0 | 0 | 0 | 111.6 | I894 F896 L900 T901 L902 | I894-N898 WeakPolarHBondContact O-CB 3.45Å; I894-N898 PolarHBondContact O-N 3.29Å; I894-N898 PolarHBondContact O-ND2 3.38Å; F896-N898 VanDerWaalsContact C-N 3.33Å; F896-N898 PolarHBondContact O-N 2.96Å; N898-L900 VanDerWaalsContact C-N 3.34Å; N898-L900 PolarHBondContact O-N 3.17Å; N898-T901 WeakPolarHBondContact O-CB 3.28Å; N898-T901 PolarHBondContact O-N 2.98Å; N898-L902 WeakPolarHBondContact O-CG 3.42Å; N898-L902 PolarHBondContact O-N 2.94Å |
| 899 | L | 90.8 | Very high | 84.2 | Confident | 12 Ų | 12 | 42.9 Ų | 42.9 | 6% | 0.063 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.6 | -49.3 | 172.6 | 177.9 | 165.7 | 0 | 0 | 0 | 110.6 | L829 I832 R833 F836 D895 F896 T901 L902 S903 | L829-L899 HydrophobicContact CB-CD1 4.05Å; L829-L899 HydrophobicContact CD2-CD1 4.14Å; L829-L899 WeakPolarHBondContact O-CD1 3.33Å; I832-L899 HydrophobicContact CB-CD1 4.3Å; I832-L899 HydrophobicContact CG2-CD1 4.28Å; I832-L899 HydrophobicContact CG2-CD2 4.02Å; R833-L899 HydrophobicContact CB-CD1 3.85Å; R833-L899 HydrophobicContact CB-CG 3.96Å; F836-L899 HydrophobicContact CD2-CD2 4.26Å; D895-L899 VanDerWaalsContact O-CB 3.3Å; D895-L899 WeakPolarHBondContact O-CB 3.39Å; D895-L899 PolarHBondContact O-N 3.27Å; F896-L899 WeakPolarHBondContact O-CB 3.41Å; F896-L899 PolarHBondContact O-N 2.87Å; L899-T901 VanDerWaalsContact C-N 3.28Å; L899-T901 PolarHBondContact O-N 3.31Å; L899-L902 PolarHBondContact O-N 3.42Å; L899-L902 VanDerWaalsContact O-N 3.16Å; L899-S903 PolarHBondContact O-N 3.32Å; L899-S903 PolarHBondContact O-OG 2.86Å |
| 900 | L | 89.1 | Confident | 84.1 | Confident | 7 Ų | 7 | 45.9 Ų | 45.9 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.4 | -36.4 | 178.6 | -66.5 | -179.2 | 0 | 0 | 0 | 112.4 | F836 F896 L897 N898 S903 A904 L922 L926 F976 | F836-L900 HydrophobicContact CE2-CD2 4.09Å; F896-L900 HydrophobicContact CD1-CD1 4.38Å; F896-L900 HydrophobicContact CE1-CD1 3.77Å; F896-L900 HydrophobicContact CE1-CG 4.44Å; F896-L900 HydrophobicContact CE2-CD1 4.42Å; F896-L900 HydrophobicContact CE2-CD2 4.33Å; F896-L900 HydrophobicContact CE2-CG 4.29Å; F896-L900 HydrophobicContact CZ-CD1 3.79Å; F896-L900 HydrophobicContact CZ-CD2 4.29Å; F896-L900 HydrophobicContact CZ-CG 4.15Å; F896-L900 WeakPolarHBondContact O-CG 3.24Å; F896-L900 PolarHBondContact O-N 3.31Å; L897-L900 HydrophobicContact CD2-CD1 4.35Å; L897-L900 PolarHBondContact O-N 3.25Å; N898-L900 VanDerWaalsContact C-N 3.34Å; N898-L900 PolarHBondContact O-N 3.17Å; L900-S903 PolarHBondContact O-N 2.88Å; L900-A904 PolarHBondContact O-N 3.01Å; L900-L922 HydrophobicContact CD1-CD1 4.47Å; L900-L922 HydrophobicContact CD1-CD2 4.16Å; L900-L922 HydrophobicContact CD2-CD2 4.04Å; L900-L926 HydrophobicContact CD1-CD1 4.11Å; L900-F976 HydrophobicContact CB-CE2 4.04Å; L900-F976 HydrophobicContact CB-CZ 3.79Å; L900-F976 HydrophobicContact CD1-CZ 4.31Å |
| 901 | T | 85.5 | Confident | 83.8 | Confident | 60 Ų | 60 | 46.9 Ų | 46.9 | 37% | 0.368 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 174.9 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | L897 N898 L899 F976 | L897-T901 PolarHBondContact O-N 3.42Å; L897-T901 PolarHBondContact O-OG1 3.5Å; N898-T901 WeakPolarHBondContact O-CB 3.28Å; N898-T901 PolarHBondContact O-N 2.98Å; L899-T901 VanDerWaalsContact C-N 3.28Å; L899-T901 PolarHBondContact O-N 3.31Å; T901-F976 WeakPolarHBondContact OG1-CE2 3.34Å |
| 902 | L | 84.1 | Confident | 83.6 | Confident | 101 Ų | 101 | 51.6 Ų | 51.6 | 53% | 0.529 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 175.1 | -68.7 | 170.1 | 0 | 0 | 0 | 111.1 | N898 L899 A904 S905 | N898-L902 WeakPolarHBondContact O-CG 3.42Å; N898-L902 PolarHBondContact O-N 2.94Å; L899-L902 PolarHBondContact O-N 3.42Å; L899-L902 VanDerWaalsContact O-N 3.16Å; L902-A904 VanDerWaalsContact C-N 3.29Å; L902-A904 PolarHBondContact O-N 2.86Å; L902-S905 PolarHBondContact O-N 3.13Å; L902-S905 PolarHBondContact O-OG 3.45Å |
| 903 | S | 85.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72.4 | -18.3 | -178.9 | -74.8 | 0 | 0 | 0 | 0 | 114.6 | L899 L900 S905 D906 F909 | L899-S903 PolarHBondContact O-N 3.32Å; L899-S903 PolarHBondContact O-OG 2.86Å; L900-S903 PolarHBondContact O-N 2.88Å; S903-S905 PolarHBondContact O-N 3.23Å; S903-S905 VanDerWaalsContact O-N 3.08Å; S903-D906 WeakPolarHBondContact CA-OD2 3.46Å; S903-D906 WeakPolarHBondContact CB-OD2 3.46Å; S903-D906 WeakPolarHBondContact O-CB 3.17Å; S903-D906 PolarHBondContact O-N 2.95Å; S903-D906 PolarHBondContact OG-OD2 3.07Å; S903-F909 WeakPolarHBondContact O-CD2 3.42Å |
| 904 | A | 80.3 | Confident | 83.4 | Confident | 30 Ų | 30 | 61.7 Ų | 61.7 | 25% | 0.248 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -24 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L900 L902 | L900-A904 PolarHBondContact O-N 3.01Å; L902-A904 VanDerWaalsContact C-N 3.29Å; L902-A904 PolarHBondContact O-N 2.86Å |
| 905 | S | 79.1 | Confident | 83.4 | Confident | 94 Ų | 94 | 58.3 Ų | 58.3 | 66% | 0.657 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -9 | 176 | 67.9 | 0 | 0 | 0 | 0 | 115 | L902 S903 | L902-S905 PolarHBondContact O-N 3.13Å; L902-S905 PolarHBondContact O-OG 3.45Å; S903-S905 PolarHBondContact O-N 3.23Å; S903-S905 VanDerWaalsContact O-N 3.08Å |
| 906 | D | 82.6 | Confident | 83.2 | Confident | 19 Ų | 19 | 56.8 Ų | 56.8 | 10% | 0.102 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -72.9 | 150.8 | 179.5 | -62.2 | -33.1 | 0 | 0 | 0 | 110.6 | R833 S903 F908 F909 A910 | R833-D906 IonicContact CZ-OD1 3.29Å; R833-D906 IonicContact CZ-OD2 3.37Å; R833-D906 VanDerWaalsContact NH1-CG 3.35Å; R833-D906 IonicContact NH1-OD1 3.43Å; R833-D906 PolarHBondContact NH1-OD1 2.82Å; R833-D906 VanDerWaalsContact NH1-OD1 3.16Å; R833-D906 IonicContact NH1-OD2 3.12Å; R833-D906 PolarHBondContact NH1-OD2 2.85Å; R833-D906 IonicContact NH2-OD1 2.82Å; R833-D906 PolarHBondContact NH2-OD1 3.16Å; R833-D906 IonicContact NH2-OD2 3.47Å; S903-D906 WeakPolarHBondContact CA-OD2 3.46Å; S903-D906 WeakPolarHBondContact CB-OD2 3.46Å; S903-D906 WeakPolarHBondContact O-CB 3.17Å; S903-D906 PolarHBondContact O-N 2.95Å; S903-D906 PolarHBondContact OG-OD2 3.07Å; D906-F908 PolarHBondContact O-N 3.35Å; D906-F909 PolarHBondContact O-N 3.15Å; D906-A910 PolarHBondContact O-N 2.69Å; D906-A910 VanDerWaalsContact O-N 3.1Å |
| 907 | E | 82.5 | Confident | 83 | Confident | 111 Ų | 111 | 60.1 Ų | 60.1 | 52% | 0.519 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -50.9 | -33.7 | -177.8 | -77.2 | -178.6 | -175.3 | 0 | 0 | 112.7 | R845 H851 F909 E911 | R845-E907 IonicContact CZ-OE1 2.68Å; R845-E907 VanDerWaalsContact NH2-CD 3.33Å; R845-E907 IonicContact NH2-OE1 3.34Å; R845-E907 PolarHBondContact NH2-OE1 3.41Å; R845-E907 IonicContact NH2-OE2 2.83Å; R845-E907 PolarHBondContact NH2-OE2 3.22Å; R845-E907 VanDerWaalsContact NH2-OE2 3.13Å; H851-E907 IonicContact CD2-OE2 3.38Å; H851-E907 IonicContact CE1-OE2 2.81Å; H851-E907 PolarHBondContact CE1-OE2 2.93Å; H851-E907 IonicContact NE2-OE2 3.31Å; H851-E907 PolarHBondContact NE2-OE2 3.08Å; E907-F909 PolarHBondContact O-N 3.18Å; E907-E911 PolarHBondContact O-N 3.26Å |
| 908 | F | 86.3 | Confident | 82.9 | Confident | 14 Ų | 14 | 61.4 Ų | 61.4 | 6% | 0.061 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.6 | -35.1 | -179.2 | -179.3 | -107.2 | 0 | 0 | 0 | 114.4 | F836 P855 L856 F859 D906 R918 | F836-F908 HydrophobicContact CD1-CD1 4.48Å; P855-F908 HydrophobicContact CB-CB 4.05Å; P855-F908 HydrophobicContact CB-CD1 4.2Å; P855-F908 HydrophobicContact CB-CD2 3.51Å; P855-F908 HydrophobicContact CB-CE2 3.93Å; P855-F908 HydrophobicContact CB-CG 3.65Å; P855-F908 HydrophobicContact CB-CZ 4.44Å; P855-F908 HydrophobicContact CG-CD2 4.38Å; L856-F908 HydrophobicContact CB-CE2 3.94Å; L856-F908 HydrophobicContact CB-CZ 4.41Å; L856-F908 HydrophobicContact CD1-CE2 4.07Å; L856-F908 HydrophobicContact CD1-CZ 4.11Å; F859-F908 HydrophobicContact CB-CE1 3.9Å; F859-F908 HydrophobicContact CB-CZ 3.82Å; F859-F908 HydrophobicContact CD1-CE1 4.47Å; F859-F908 HydrophobicContact CD1-CZ 4.26Å; F859-F908 AromaticContact CD2-CE1 3.93Å; F859-F908 HydrophobicContact CD2-CE1 3.93Å; F859-F908 HydrophobicContact CD2-CZ 4.48Å; F859-F908 AromaticContact CG-CE1 3.86Å; F859-F908 HydrophobicContact CG-CE1 3.86Å; F859-F908 AromaticContact CG-CZ 3.96Å; F859-F908 HydrophobicContact CG-CZ 3.96Å; D906-F908 PolarHBondContact O-N 3.35Å; F908-R918 VanDerWaalsContact CE2-CZ 3.48Å; F908-R918 PolarHBondContact O-NH1 2.86Å |
| 909 | F | 84.6 | Confident | 82.9 | Confident | 12 Ų | 12 | 57.8 Ų | 57.8 | 5% | 0.053 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -97.5 | -24 | 179.8 | -71.7 | -74.4 | 0 | 0 | 0 | 112.7 | F836 F859 S903 D906 E907 E911 G915 R918 L922 | F836-F909 HydrophobicContact CB-CE2 4.38Å; F836-F909 HydrophobicContact CD1-CE2 4.34Å; F836-F909 AromaticContact CD2-CE2 3.76Å; F836-F909 HydrophobicContact CD2-CE2 3.76Å; F836-F909 HydrophobicContact CD2-CZ 4.27Å; F836-F909 HydrophobicContact CE2-CE2 4Å; F836-F909 HydrophobicContact CE2-CZ 4.04Å; F836-F909 AromaticContact CG-CE2 3.93Å; F836-F909 HydrophobicContact CG-CE2 3.93Å; F836-F909 HydrophobicContact CZ-CE2 4.4Å; F836-F909 HydrophobicContact CZ-CZ 4.16Å; F859-F909 HydrophobicContact CD2-CE1 4.19Å; F859-F909 AromaticContact CD2-CZ 3.99Å; F859-F909 HydrophobicContact CD2-CZ 3.99Å; F859-F909 AromaticContact CE2-CE1 3.77Å; F859-F909 HydrophobicContact CE2-CE1 3.77Å; F859-F909 AromaticContact CE2-CZ 3.98Å; F859-F909 HydrophobicContact CE2-CZ 3.98Å; S903-F909 WeakPolarHBondContact O-CD2 3.42Å; D906-F909 PolarHBondContact O-N 3.15Å; E907-F909 PolarHBondContact O-N 3.18Å; F909-E911 VanDerWaalsContact C-N 3.3Å; F909-E911 PolarHBondContact O-N 2.97Å; F909-G915 CarbonylContact O-C 3.56Å; F909-G915 WeakPolarHBondContact O-CA 3.4Å; F909-R918 HydrophobicContact CD1-CB 4.34Å; F909-R918 HydrophobicContact CE1-CB 4.38Å; F909-L922 HydrophobicContact CE1-CD2 4.27Å; F909-L922 HydrophobicContact CZ-CD2 4.43Å |
| 910 | A | 80.6 | Confident | 82.7 | Confident | 68 Ų | 68 | 60.9 Ų | 60.9 | 56% | 0.562 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -81.3 | -2.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D906 E912 | D906-A910 PolarHBondContact O-N 2.69Å; D906-A910 VanDerWaalsContact O-N 3.1Å; A910-E912 PolarHBondContact O-N 3.31Å |
| 911 | E | 73.6 | Confident | 82.6 | Confident | 93 Ų | 93 | 66.3 Ų | 66.3 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -70.5 | 82.5 | -174.7 | -165.7 | 178.9 | -161.6 | 0 | 0 | 113.5 | E907 F909 Q913 L914 G915 R918 | E907-E911 PolarHBondContact O-N 3.26Å; F909-E911 VanDerWaalsContact C-N 3.3Å; F909-E911 PolarHBondContact O-N 2.97Å; E911-Q913 PolarHBondContact O-N 3.14Å; E911-Q913 VanDerWaalsContact O-N 3.12Å; E911-L914 PolarHBondContact O-N 2.93Å; E911-G915 PolarHBondContact O-N 2.89Å; E911-R918 IonicContact OE2-CZ 3.19Å; E911-R918 IonicContact OE2-NH1 2.71Å; E911-R918 PolarHBondContact OE2-NH1 3.44Å; E911-R918 IonicContact OE2-NH2 3.87Å; E911-R918 PolarHBondContact OE2-NH2 2.74Å |
| 912 | E | 74 | Confident | 82.8 | Confident | 169 Ų | 169 | 63.7 Ų | 63.7 | 79% | 0.79 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | 23.4 | -106.7 | 179.4 | -67.7 | -172.6 | 178.2 | 0 | 0 | 114.6 | A910 Q916 | A910-E912 PolarHBondContact O-N 3.31Å; E912-Q916 VanDerWaalsContact O-CD 3.29Å; E912-Q916 WeakPolarHBondContact O-CG 3.41Å; E912-Q916 PolarHBondContact O-N 3.37Å |
| 913 | Q | 77.9 | Confident | 83.1 | Confident | 159 Ų | 159 | 59.3 Ų | 59.3 | 74% | 0.743 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -79.2 | -34.4 | -175.6 | -67.6 | -174.4 | -15.1 | 0 | 0 | 114 | E911 S917 | E911-Q913 PolarHBondContact O-N 3.14Å; E911-Q913 VanDerWaalsContact O-N 3.12Å; Q913-S917 PolarHBondContact O-N 3.45Å; Q913-S917 VanDerWaalsContact O-N 3.11Å |
| 914 | L | 82 | Confident | 83.2 | Confident | 104 Ų | 104 | 63.4 Ų | 63.4 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -72.8 | -44.1 | -177 | -91.6 | 148.9 | 0 | 0 | 0 | 111.2 | E911 S917 R918 | E911-L914 PolarHBondContact O-N 2.93Å; L914-S917 PolarHBondContact O-N 3.49Å; L914-R918 VanDerWaalsContact O-CG 3.28Å; L914-R918 WeakPolarHBondContact O-CG 3.41Å; L914-R918 PolarHBondContact O-N 2.72Å |
| 915 | G | 82.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.5 | -47.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F909 E911 S917 R918 C919 | F909-G915 CarbonylContact O-C 3.56Å; F909-G915 WeakPolarHBondContact O-CA 3.4Å; E911-G915 PolarHBondContact O-N 2.89Å; G915-S917 PolarHBondContact O-N 3.35Å; G915-R918 WeakPolarHBondContact O-CB 3.46Å; G915-R918 PolarHBondContact O-N 2.9Å; G915-R918 VanDerWaalsContact O-N 3.16Å; G915-C919 PolarHBondContact O-N 3.19Å; G915-C919 PolarHBondContact O-SG 3.46Å; G915-C919 VanDerWaalsContact O-SG 3.41Å |
| 916 | Q | 81 | Confident | 84 | Confident | 45 Ų | 45 | 57.6 Ų | 57.6 | 21% | 0.21 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58 | -45.4 | 174.5 | -74.5 | 172.3 | 0.8 | 0 | 0 | 112.7 | E912 R918 C919 Q920 E988 | E912-Q916 VanDerWaalsContact O-CD 3.29Å; E912-Q916 WeakPolarHBondContact O-CG 3.41Å; E912-Q916 PolarHBondContact O-N 3.37Å; Q916-R918 VanDerWaalsContact C-N 3.32Å; Q916-R918 PolarHBondContact O-N 3.2Å; Q916-C919 PolarHBondContact O-N 3.5Å; Q916-Q920 WeakPolarHBondContact O-CB 3.46Å; Q916-Q920 PolarHBondContact O-N 3.31Å; Q916-E988 PolarHBondContact NE2-OE2 3.37Å; Q916-E988 PolarHBondContact OE1-OE2 2.94Å |
| 917 | S | 85 | Confident | 84.1 | Confident | 70 Ų | 70 | 56.7 Ų | 56.7 | 49% | 0.49 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 177.2 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | Q913 L914 G915 R921 | Q913-S917 PolarHBondContact O-N 3.45Å; Q913-S917 VanDerWaalsContact O-N 3.11Å; L914-S917 PolarHBondContact O-N 3.49Å; G915-S917 PolarHBondContact O-N 3.35Å; S917-R921 WeakPolarHBondContact O-CB 3.3Å; S917-R921 PolarHBondContact O-N 3.23Å |
| 918 | R | 88.2 | Confident | 84.2 | Confident | 35 Ų | 35 | 53 Ų | 53 | 13% | 0.132 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.6 | -46 | 173.9 | -69 | 165.4 | -174.6 | 152.8 | 7.1 | 111.1 | F859 F908 F909 E911 L914 G915 Q916 R921 L922 | F859-R918 HydrophobicContact CE1-CB 4.26Å; F859-R918 HydrophobicContact CE1-CG 4.2Å; F859-R918 HydrophobicContact CZ-CB 3.95Å; F859-R918 HydrophobicContact CZ-CG 4.39Å; F908-R918 VanDerWaalsContact CE2-CZ 3.48Å; F908-R918 PolarHBondContact O-NH1 2.86Å; F909-R918 HydrophobicContact CD1-CB 4.34Å; F909-R918 HydrophobicContact CE1-CB 4.38Å; E911-R918 IonicContact OE2-CZ 3.19Å; E911-R918 IonicContact OE2-NH1 2.71Å; E911-R918 PolarHBondContact OE2-NH1 3.44Å; E911-R918 IonicContact OE2-NH2 3.87Å; E911-R918 PolarHBondContact OE2-NH2 2.74Å; L914-R918 VanDerWaalsContact O-CG 3.28Å; L914-R918 WeakPolarHBondContact O-CG 3.41Å; L914-R918 PolarHBondContact O-N 2.72Å; G915-R918 WeakPolarHBondContact O-CB 3.46Å; G915-R918 PolarHBondContact O-N 2.9Å; G915-R918 VanDerWaalsContact O-N 3.16Å; Q916-R918 VanDerWaalsContact C-N 3.32Å; Q916-R918 PolarHBondContact O-N 3.2Å; R918-R921 PolarHBondContact O-N 3.3Å; R918-L922 WeakPolarHBondContact O-CB 3.45Å; R918-L922 PolarHBondContact O-N 3.06Å |
| 919 | C | 86.1 | Confident | 84.1 | Confident | 10 Ų | 10 | 52.5 Ų | 52.5 | 7% | 0.068 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 175.7 | -70.4 | 0 | 0 | 0 | 0 | 111.9 | G915 Q916 R921 L922 Y923 I989 | G915-C919 PolarHBondContact O-N 3.19Å; G915-C919 PolarHBondContact O-SG 3.46Å; G915-C919 VanDerWaalsContact O-SG 3.41Å; Q916-C919 PolarHBondContact O-N 3.5Å; C919-R921 VanDerWaalsContact C-N 3.31Å; C919-R921 PolarHBondContact O-N 2.88Å; C919-L922 PolarHBondContact O-N 3.17Å; C919-L922 VanDerWaalsContact O-N 3.17Å; C919-Y923 HydrophobicContact CB-CE2 3.97Å; C919-Y923 VanDerWaalsContact O-CD2 3.31Å; C919-Y923 WeakPolarHBondContact O-CD2 3.44Å; C919-Y923 PolarHBondContact O-N 3.42Å; C919-I989 HydrophobicContact CB-CD1 3.83Å |
| 920 | Q | 86.5 | Confident | 83.9 | Confident | 77 Ų | 77 | 52.2 Ų | 52.2 | 36% | 0.36 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.8 | -45.5 | 177.6 | -168.5 | -175.8 | 12.9 | 0 | 0 | 111.3 | Q916 Y923 H924 I989 E990 | Q916-Q920 WeakPolarHBondContact O-CB 3.46Å; Q916-Q920 PolarHBondContact O-N 3.31Å; Q920-Y923 PolarHBondContact O-N 3.21Å; Q920-H924 VanDerWaalsContact O-CB 3.31Å; Q920-H924 WeakPolarHBondContact O-CB 3.33Å; Q920-H924 PolarHBondContact O-N 2.95Å; Q920-I989 HydrophobicContact CB-CG2 4Å; Q920-I989 HydrophobicContact CG-CG2 4.15Å; Q920-E990 PolarHBondContact NE2-O 2.99Å |
| 921 | R | 88.2 | Confident | 83.7 | Confident | 121 Ų | 121 | 51.1 Ų | 51.1 | 46% | 0.457 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.2 | -46.4 | 176 | -175.1 | 176.9 | 177.8 | -170.6 | -4.5 | 111.5 | L863 S917 R918 C919 H924 C925 | L863-R921 HydrophobicContact CD1-CG 4.24Å; S917-R921 WeakPolarHBondContact O-CB 3.3Å; S917-R921 PolarHBondContact O-N 3.23Å; R918-R921 PolarHBondContact O-N 3.3Å; C919-R921 VanDerWaalsContact C-N 3.31Å; C919-R921 PolarHBondContact O-N 2.88Å; R921-H924 PolarHBondContact O-N 3.33Å; R921-C925 WeakPolarHBondContact O-CB 3.4Å; R921-C925 PolarHBondContact O-N 3.39Å; R921-C925 PolarHBondContact O-SG 3.16Å |
| 922 | L | 89.6 | Confident | 83.5 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.2 | -48.3 | 178.5 | 177.6 | 63 | 0 | 0 | 0 | 111.8 | F859 L863 L900 F909 R918 C919 C925 L926 | F859-L922 HydrophobicContact CE2-CB 4.35Å; L863-L922 HydrophobicContact CD2-CD1 4.05Å; L900-L922 HydrophobicContact CD1-CD1 4.47Å; L900-L922 HydrophobicContact CD1-CD2 4.16Å; L900-L922 HydrophobicContact CD2-CD2 4.04Å; F909-L922 HydrophobicContact CE1-CD2 4.27Å; F909-L922 HydrophobicContact CZ-CD2 4.43Å; R918-L922 WeakPolarHBondContact O-CB 3.45Å; R918-L922 PolarHBondContact O-N 3.06Å; C919-L922 PolarHBondContact O-N 3.17Å; C919-L922 VanDerWaalsContact O-N 3.17Å; L922-C925 PolarHBondContact O-N 2.81Å; L922-L926 HydrophobicContact CD1-CD1 4.42Å; L922-L926 HydrophobicContact CD1-CG 4.48Å; L922-L926 HydrophobicContact CG-CD1 4.21Å; L922-L926 WeakPolarHBondContact O-CG 3.42Å; L922-L926 PolarHBondContact O-N 2.94Å |
| 923 | Y | 89.4 | Confident | 82.5 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 4% | 0.035 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.4 | -42.5 | -179.9 | -58 | -26 | 0 | 0 | 0 | 111.9 | C919 Q920 C925 L926 I927 F976 Q980 I989 I991 | C919-Y923 HydrophobicContact CB-CE2 3.97Å; C919-Y923 VanDerWaalsContact O-CD2 3.31Å; C919-Y923 WeakPolarHBondContact O-CD2 3.44Å; C919-Y923 PolarHBondContact O-N 3.42Å; Q920-Y923 PolarHBondContact O-N 3.21Å; Y923-C925 VanDerWaalsContact C-N 3.34Å; Y923-C925 PolarHBondContact O-N 3.36Å; Y923-L926 HydrophobicContact CD1-CD1 4.47Å; Y923-L926 PolarHBondContact O-N 3.42Å; Y923-I927 WeakPolarHBondContact O-CG1 3.47Å; Y923-I927 PolarHBondContact O-N 3.39Å; Y923-F976 AromaticContact CD1-CE1 3.92Å; Y923-F976 HydrophobicContact CD1-CE1 3.92Å; Y923-F976 AromaticContact CE1-CE1 3.7Å; Y923-F976 HydrophobicContact CE1-CE1 3.7Å; Y923-F976 AromaticContact CE1-CZ 3.97Å; Y923-F976 HydrophobicContact CE1-CZ 3.97Å; Y923-Q980 HydrophobicContact CE1-CB 4.32Å; Y923-Q980 HydrophobicContact CE1-CG 4.17Å; Y923-Q980 HydrophobicContact CE2-CB 4.24Å; Y923-Q980 WeakPolarHBondContact OH-CB 3.44Å; Y923-Q980 PolarHBondContact OH-OE1 2.97Å; Y923-I989 HydrophobicContact CD2-CG2 4.15Å; Y923-I989 HydrophobicContact CE2-CD1 4.01Å; Y923-I989 HydrophobicContact CE2-CG2 4.4Å; Y923-I991 HydrophobicContact CD2-CD1 3.96Å; Y923-I991 HydrophobicContact CG-CD1 4.32Å |
| 924 | H | 87.4 | Confident | 81 | Confident | 86 Ų | 86 | 40.8 Ų | 40.8 | 40% | 0.398 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.2 | -45.3 | 174.2 | -179.4 | -94.3 | 0 | 0 | 0 | 111.6 | Q920 R921 I927 L928 | Q920-H924 VanDerWaalsContact O-CB 3.31Å; Q920-H924 WeakPolarHBondContact O-CB 3.33Å; Q920-H924 PolarHBondContact O-N 2.95Å; R921-H924 PolarHBondContact O-N 3.33Å; H924-I927 PolarHBondContact O-N 3.47Å; H924-L928 WeakPolarHBondContact CE1-CD1 3.41Å; H924-L928 WeakPolarHBondContact O-CG 3.33Å; H924-L928 PolarHBondContact O-N 2.64Å; H924-L928 VanDerWaalsContact O-N 3.11Å |
| 925 | C | 87.9 | Confident | 78.8 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 175.5 | -66.5 | 0 | 0 | 0 | 0 | 112.1 | L863 Y882 L885 R921 L922 Y923 I927 L928 T929 | L863-C925 HydrophobicContact CD2-CB 4.13Å; Y882-C925 HydrophobicContact CD2-CB 3.7Å; Y882-C925 HydrophobicContact CE2-CB 3.74Å; Y882-C925 WeakPolarHBondContact CE2-SG 3.48Å; Y882-C925 HydrophobicContact CG-CB 4.16Å; L885-C925 HydrophobicContact CD2-CB 3.87Å; R921-C925 WeakPolarHBondContact O-CB 3.4Å; R921-C925 PolarHBondContact O-N 3.39Å; R921-C925 PolarHBondContact O-SG 3.16Å; L922-C925 PolarHBondContact O-N 2.81Å; Y923-C925 VanDerWaalsContact C-N 3.34Å; Y923-C925 PolarHBondContact O-N 3.36Å; C925-I927 PolarHBondContact O-N 3.47Å; C925-L928 PolarHBondContact O-N 3Å; C925-T929 WeakPolarHBondContact O-CB 3.27Å; C925-T929 PolarHBondContact O-N 3.35Å; C925-T929 PolarHBondContact O-OG1 2.99Å |
| 926 | L | 88 | Confident | 76.4 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 178.3 | -76.5 | 169.4 | 0 | 0 | 0 | 112.9 | L885 L889 F896 L897 L900 L922 Y923 S930 V973 F976 | L885-L926 HydrophobicContact CD1-CD2 3.85Å; L885-L926 HydrophobicContact CD2-CD2 3.89Å; L885-L926 HydrophobicContact CD2-CG 4.15Å; L885-L926 HydrophobicContact CG-CD2 4Å; L889-L926 HydrophobicContact CD1-CD2 4.03Å; L889-L926 HydrophobicContact CD2-CD2 4.34Å; L889-L926 HydrophobicContact CG-CD2 4.5Å; F896-L926 HydrophobicContact CE1-CD2 4.37Å; L897-L926 HydrophobicContact CD2-CD1 4.44Å; L897-L926 HydrophobicContact CD2-CD2 4.47Å; L900-L926 HydrophobicContact CD1-CD1 4.11Å; L922-L926 HydrophobicContact CD1-CD1 4.42Å; L922-L926 HydrophobicContact CD1-CG 4.48Å; L922-L926 HydrophobicContact CG-CD1 4.21Å; L922-L926 WeakPolarHBondContact O-CG 3.42Å; L922-L926 PolarHBondContact O-N 2.94Å; Y923-L926 HydrophobicContact CD1-CD1 4.47Å; Y923-L926 PolarHBondContact O-N 3.42Å; L926-S930 WeakPolarHBondContact O-CB 3.42Å; L926-S930 PolarHBondContact O-N 3.44Å; L926-S930 PolarHBondContact O-OG 3.49Å; L926-V973 HydrophobicContact CB-CG1 4.19Å; L926-F976 HydrophobicContact CD1-CD1 4.12Å; L926-F976 HydrophobicContact CD1-CE1 3.68Å |
| 927 | I | 85.2 | Confident | 73.8 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.1 | -48.3 | 177.2 | -62 | 167.9 | 0 | 0 | 0 | 110.1 | Y923 H924 C925 T929 S930 L931 I977 I991 L995 | Y923-I927 WeakPolarHBondContact O-CG1 3.47Å; Y923-I927 PolarHBondContact O-N 3.39Å; H924-I927 PolarHBondContact O-N 3.47Å; C925-I927 PolarHBondContact O-N 3.47Å; I927-T929 VanDerWaalsContact C-N 3.34Å; I927-T929 PolarHBondContact O-N 3.28Å; I927-S930 PolarHBondContact O-N 3.31Å; I927-S930 VanDerWaalsContact O-N 3.1Å; I927-L931 HydrophobicContact CG2-CD1 3.54Å; I927-L931 HydrophobicContact CG2-CG 4.06Å; I927-L931 WeakPolarHBondContact O-CG 3.27Å; I927-L931 PolarHBondContact O-N 2.97Å; I927-I977 HydrophobicContact CD1-CD1 3.76Å; I927-I977 HydrophobicContact CG1-CD1 3.2Å; I927-I991 HydrophobicContact CD1-CG2 3.84Å; I927-L995 HydrophobicContact CD1-CB 4.45Å; I927-L995 HydrophobicContact CG2-CB 4.14Å; I927-L995 HydrophobicContact CG2-CD2 4.32Å |
| 928 | L | 84.8 | Confident | 71.2 | Confident | 33 Ų | 33 | 52.7 Ų | 52.7 | 17% | 0.173 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.1 | -38 | -178.7 | -71.1 | -174.9 | 0 | 0 | 0 | 112.9 | K881 Y882 H924 C925 S930 S932 | K881-L928 HydrophobicContact CD-CD1 4.38Å; Y882-L928 HydrophobicContact CE2-CD1 4.46Å; H924-L928 WeakPolarHBondContact CE1-CD1 3.41Å; H924-L928 WeakPolarHBondContact O-CG 3.33Å; H924-L928 PolarHBondContact O-N 2.64Å; H924-L928 VanDerWaalsContact O-N 3.11Å; C925-L928 PolarHBondContact O-N 3Å; L928-S930 VanDerWaalsContact C-N 3.28Å; L928-S930 PolarHBondContact O-N 3Å; L928-S932 PolarHBondContact O-N 3.39Å; L928-S932 PolarHBondContact O-OG 3.1Å |
| 929 | T | 83.4 | Confident | 68.3 | Low | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.018 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66 | -33.9 | 174.6 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | K881 H886 L889 C925 I927 | K881-T929 PolarHBondContact O-OG1 2.94Å; H886-T929 HydrophobicContact CB-CG2 3.67Å; H886-T929 WeakPolarHBondContact ND1-CG2 3.31Å; L889-T929 HydrophobicContact CD1-CG2 4.07Å; C925-T929 WeakPolarHBondContact O-CB 3.27Å; C925-T929 PolarHBondContact O-N 3.35Å; C925-T929 PolarHBondContact O-OG1 2.99Å; I927-T929 VanDerWaalsContact C-N 3.34Å; I927-T929 PolarHBondContact O-N 3.28Å |
| 930 | S | 80.6 | Confident | 65.6 | Low | 6 Ų | 6 | 61.9 Ų | 61.9 | 4% | 0.042 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -75.8 | -36.2 | 178 | -55.1 | 0 | 0 | 0 | 0 | 113 | L926 I927 L928 S932 Y965 V973 | L926-S930 WeakPolarHBondContact O-CB 3.42Å; L926-S930 PolarHBondContact O-N 3.44Å; L926-S930 PolarHBondContact O-OG 3.49Å; I927-S930 PolarHBondContact O-N 3.31Å; I927-S930 VanDerWaalsContact O-N 3.1Å; L928-S930 VanDerWaalsContact C-N 3.28Å; L928-S930 PolarHBondContact O-N 3Å; S930-S932 VanDerWaalsContact C-N 3.33Å; S930-Y965 PolarHBondContact O-OH 2.9Å; S930-V973 WeakPolarHBondContact OG-CG2 3.4Å |
| 931 | L | 77.1 | Confident | 62.7 | Low | 45 Ų | 45 | 64.2 Ų | 64.2 | 24% | 0.236 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -81.5 | -6.8 | -179.9 | -67.4 | 175.5 | 0 | 0 | 0 | 114.1 | I927 L995 Q998 L999 | I927-L931 HydrophobicContact CG2-CD1 3.54Å; I927-L931 HydrophobicContact CG2-CG 4.06Å; I927-L931 WeakPolarHBondContact O-CG 3.27Å; I927-L931 PolarHBondContact O-N 2.97Å; L931-L995 HydrophobicContact CD1-CD2 3.91Å; L931-Q998 HydrophobicContact CD1-CB 4.41Å; L931-Q998 HydrophobicContact CD2-CB 4.41Å; L931-L999 HydrophobicContact CD2-CD1 4.11Å |
| 932 | S | 67.7 | Low | 59.7 | Low | 21 Ų | 21 | 66.9 Ų | 66.9 | 15% | 0.147 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -67 | 126 | -178.8 | -69.9 | 0 | 0 | 0 | 0 | 110.4 | L928 S930 S934 | L928-S932 PolarHBondContact O-N 3.39Å; L928-S932 PolarHBondContact O-OG 3.1Å; S930-S932 VanDerWaalsContact C-N 3.33Å; S932-S934 PolarHBondContact O-N 3.5Å |
| 933 | P | 54 | Low | 56.6 | Low | 121 Ų | 121 | 73.7 Ų | 73.7 | 79% | 0.786 | 46% | 0.455 | S | S | * | . | trans | -70 | 114.2 | -176.4 | 25.8 | -31.6 | 0 | 0 | 0 | 110.5 | S935 | P933-S935 PolarHBondContact O-N 2.86Š| ||
| 934 | S | 46.5 | Very low | 53.6 | Low | 63 Ų | 63 | 79 Ų | 79 | 44% | 0.441 | 49% | 0.494 | S | S | . | . | trans | -67.5 | 118.2 | 162.3 | 55.8 | 0 | 0 | 0 | 0 | 107.7 | S932 S936 Y965 | S932-S934 PolarHBondContact O-N 3.5Å; S934-S936 PolarHBondContact O-N 3.3Å; S934-Y965 WeakPolarHBondContact OG-CD2 3.32Å | ||
| 935 | S | 35.7 | Very low | 50.7 | Low | 121 Ų | 121 | 84 Ų | 84 | 85% | 0.846 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -58.8 | 103.2 | -178.2 | 52.7 | 0 | 0 | 0 | 0 | 112.5 | P933 | P933-S935 PolarHBondContact O-N 2.86Š|
| 936 | S | 32.5 | Very low | 47.6 | Very low | 105 Ų | 105 | 89.6 Ų | 89.6 | 73% | 0.734 | 56% | 0.557 | S | S | * | * | trans | -165.5 | 88.9 | 153.3 | 50.2 | 0 | 0 | 0 | 0 | 113.4 | S934 | S934-S936 PolarHBondContact O-N 3.3Š| ||
| 937 | S | 26.2 | Very low | 44.6 | Very low | 111 Ų | 111 | 97.1 Ų | 97.1 | 78% | 0.776 | 60% | 0.597 | S | S | * | * | trans | -155.1 | 109.9 | 148.4 | 57.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 938 | P | 29.7 | Very low | 41.7 | Very low | 132 Ų | 132 | 102.9 Ų | 102.9 | 86% | 0.857 | 64% | 0.637 | S | S | * | * | trans | -81.3 | 138.5 | 162.8 | 32.4 | -26.9 | 0 | 0 | 0 | 109.5 | ||||
| 939 | T | 28.5 | Very low | 38.9 | Very low | 129 Ų | 129 | 107 Ų | 107 | 79% | 0.791 | 66% | 0.663 | S | S | * | * | trans | -69 | 134.3 | -172.7 | 46.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 940 | S | 28.2 | Very low | 36.1 | Very low | 109 Ų | 109 | 117.2 Ų | 117.2 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | trans | 36.4 | 125.9 | 141.7 | 63.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 941 | S | 25.3 | Very low | 33.4 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | -166 | 156 | 120.6 | 44.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 942 | E | 26.1 | Very low | 31 | Very low | 177 Ų | 177 | 130.3 Ų | 130.3 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | -81.7 | 169.3 | -160.1 | -62.3 | 166.2 | 142 | 0 | 0 | 115.2 | ||||
| 943 | D | 25 | Very low | 28.9 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | 96.9 | 124.9 | 149.6 | -70.1 | -22.7 | 0 | 0 | 0 | 122.8 | ||||
| 944 | S | 26.8 | Very low | 27.5 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | 110.6 | 124.8 | 143.6 | 72.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 945 | Q | 26 | Very low | 26.5 | Very low | 189 Ų | 189 | 146.5 Ų | 146.5 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | trans | -68.7 | 147.1 | 176.7 | -63.1 | 167 | -36.1 | 0 | 0 | 112.4 | ||||
| 946 | S | 23.4 | Very low | 26 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 84% | 0.839 | 83% | 0.833 | S | S | * | * | 171.6 | 152.4 | 121 | 46.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 947 | D | 23.8 | Very low | 25.6 | Very low | 158 Ų | 158 | 155 Ų | 155 | 85% | 0.845 | 84% | 0.841 | S | S | * | * | trans | -52 | 145 | -176.3 | -59.2 | -60.6 | 0 | 0 | 0 | 116.2 | ||||
| 948 | S | 23.8 | Very low | 25.6 | Very low | 122 Ų | 122 | 154.6 Ų | 154.6 | 85% | 0.853 | 84% | 0.838 | S | S | * | * | -175.7 | 152.2 | 122.1 | 53.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 949 | V | 26.2 | Very low | 25.5 | Very low | 119 Ų | 119 | 155.9 Ų | 155.9 | 72% | 0.721 | 84% | 0.838 | S | S | * | * | trans | -89.2 | 147.9 | -174.9 | 161.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 950 | Y | 26 | Very low | 25.4 | Very low | 217 Ų | 217 | 155.2 Ų | 155.2 | 85% | 0.851 | 84% | 0.837 | S | S | * | * | trans | 72.7 | 101.1 | 175.4 | -68.6 | -70.4 | 0 | 0 | 0 | 118.7 | ||||
| 951 | Q | 22.9 | Very low | 25.7 | Very low | 186 Ų | 186 | 160.7 Ų | 160.7 | 87% | 0.869 | 84% | 0.841 | S | S | * | * | 170.7 | 117.8 | 125.3 | -97.2 | 173.7 | 1.1 | 0 | 0 | 110 | |||||
| 952 | T | 26.7 | Very low | 26.5 | Very low | 140 Ų | 140 | 163.1 Ų | 163.1 | 86% | 0.859 | 84% | 0.836 | S | S | * | * | trans | 176 | 75.2 | 141.8 | 27.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 953 | K | 23.9 | Very low | 27 | Very low | 202 Ų | 202 | 160 Ų | 160 | 88% | 0.878 | 83% | 0.834 | S | S | * | * | trans | -79.3 | 146.2 | 135.9 | -84.1 | 177.9 | 172.3 | 177.6 | 0 | 105.6 | ||||
| 954 | E | 24.2 | Very low | 27.9 | Very low | 180 Ų | 180 | 157 Ų | 157 | 84% | 0.841 | 83% | 0.83 | S | S | * | * | trans | 88.4 | 75.2 | 175.6 | -54.9 | -175.9 | 154 | 0 | 0 | 116.8 | ||||
| 955 | L | 25.4 | Very low | 29 | Very low | 163 Ų | 163 | 155.4 Ų | 155.4 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -173.1 | 57.6 | 146 | -104.4 | 142.3 | 0 | 0 | 0 | 111 | ||||
| 956 | E | 26 | Very low | 30.8 | Very low | 197 Ų | 197 | 150.7 Ų | 150.7 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | trans | -121.6 | 24.4 | 170.7 | -81.2 | -169.7 | 158.7 | 0 | 0 | 112.4 | ||||
| 957 | K | 24.6 | Very low | 32.9 | Very low | 209 Ų | 209 | 145.5 Ų | 145.5 | 91% | 0.909 | 75% | 0.749 | S | S | * | * | trans | -134.7 | 73.5 | 178 | -75.1 | -175.6 | 177.8 | 178.6 | 0 | 111.5 | ||||
| 958 | S | 26 | Very low | 35.3 | Very low | 102 Ų | 102 | 139 Ų | 139 | 71% | 0.713 | 72% | 0.717 | S | S | * | * | trans | -152.2 | 115.6 | 152.7 | 45.9 | 0 | 0 | 0 | 0 | 109.7 | C960 | S958-C960 PolarHBondContact O-N 3.43Å; S958-C960 VanDerWaalsContact O-N 3.14Å | ||
| 959 | N | 27.3 | Very low | 38 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 85% | 0.85 | 68% | 0.683 | S | S | * | * | trans | -70.2 | 94.6 | 176.6 | -79.2 | -38.3 | 0 | 0 | 0 | 110 | ||||
| 960 | C | 26.5 | Very low | 40.7 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 77% | 0.77 | 65% | 0.65 | S | S | * | * | trans | -137 | 82.4 | 159.2 | -86.5 | 0 | 0 | 0 | 0 | 108.5 | S958 | S958-C960 PolarHBondContact O-N 3.43Å; S958-C960 VanDerWaalsContact O-N 3.14Å | ||
| 961 | R | 35 | Very low | 43.5 | Very low | 225 Ų | 225 | 118.8 Ų | 118.8 | 85% | 0.849 | 61% | 0.609 | S | S | * | * | trans | -97.4 | 75.3 | 175.1 | -77.4 | -174 | 176.5 | 173.7 | -0.7 | 110.2 | ||||
| 962 | F | 42.1 | Very low | 46.5 | Very low | 175 Ų | 175 | 113 Ų | 113 | 77% | 0.768 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -159.4 | 31.7 | 160.1 | -79.2 | -60.8 | 0 | 0 | 0 | 113.1 | ||
| 963 | S | 35.8 | Very low | 49.4 | Very low | 112 Ų | 112 | 106.3 Ų | 106.3 | 78% | 0.783 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -139.8 | 15.8 | 180 | 64.2 | 0 | 0 | 0 | 0 | 116.8 | ||
| 964 | A | 42.9 | Very low | 52.5 | Low | 87 Ų | 87 | 96.9 Ų | 96.9 | 72% | 0.719 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -121.2 | 136.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | D966 | A964-D966 PolarHBondContact O-N 3.22Š|
| 965 | Y | 51.6 | Low | 55.5 | Low | 88 Ų | 88 | 89.7 Ų | 89.7 | 35% | 0.345 | 47% | 0.465 | S | S | . | . | trans | -49.9 | 104.4 | 176.4 | -167.9 | -105.7 | 0 | 0 | 0 | 109.2 | S930 S934 L967 P970 | S930-Y965 PolarHBondContact O-OH 2.9Å; S934-Y965 WeakPolarHBondContact OG-CD2 3.32Å; Y965-L967 PolarHBondContact O-N 3.47Å; Y965-P970 HydrophobicContact CE1-CG 3.91Å | ||
| 966 | D | 63.2 | Low | 58.5 | Low | 89 Ų | 89 | 82.6 Ų | 82.6 | 48% | 0.476 | 43% | 0.427 | S | S | . | . | trans | -72.7 | 101.4 | -177.9 | -174 | 2.9 | 0 | 0 | 0 | 108.2 | A964 S968 I969 P970 | A964-D966 PolarHBondContact O-N 3.22Å; D966-S968 PolarHBondContact O-N 3.37Å; D966-S968 WeakPolarHBondContact OD1-CB 3.41Å; D966-S968 PolarHBondContact OD1-N 3.32Å; D966-S968 PolarHBondContact OD1-OG 3.37Å; D966-S968 VanDerWaalsContact OD1-OG 3.1Å; D966-S968 PolarHBondContact OD2-OG 3.02Å; D966-I969 HydrophobicContact CB-CD1 4.37Å; D966-I969 HydrophobicContact CB-CG1 4.41Å; D966-I969 PolarHBondContact O-N 3.11Å; D966-P970 WeakPolarHBondContact O-CD 3.49Å | ||
| 967 | L | 68.2 | Low | 61.5 | Low | 11 Ų | 11 | 73.3 Ų | 73.3 | 6% | 0.058 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -20.4 | 176 | -170.5 | 69.8 | 0 | 0 | 0 | 112.2 | Y965 I969 P970 C971 S1006 D1008 L1010 | Y965-L967 PolarHBondContact O-N 3.47Å; L967-I969 VanDerWaalsContact C-N 3.26Å; L967-I969 PolarHBondContact O-N 3.29Å; L967-P970 WeakPolarHBondContact O-CD 3.34Å; L967-C971 WeakPolarHBondContact O-CB 3.33Å; L967-C971 PolarHBondContact O-N 3.15Å; L967-S1006 VanDerWaalsContact CD1-OG 3.27Å; L967-S1006 WeakPolarHBondContact CD1-OG 3.23Å; L967-S1006 WeakPolarHBondContact CD2-OG 3.29Å; L967-D1008 HydrophobicContact CD2-CB 4.13Å; L967-L1010 HydrophobicContact CD2-CG 4.14Å |
| 968 | S | 73.2 | Confident | 64.5 | Low | 23 Ų | 23 | 63.6 Ų | 63.6 | 16% | 0.161 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.1 | -30.6 | 174.5 | 93.3 | 0 | 0 | 0 | 0 | 113.1 | D966 R972 | D966-S968 PolarHBondContact O-N 3.37Å; D966-S968 WeakPolarHBondContact OD1-CB 3.41Å; D966-S968 PolarHBondContact OD1-N 3.32Å; D966-S968 PolarHBondContact OD1-OG 3.37Å; D966-S968 VanDerWaalsContact OD1-OG 3.1Å; D966-S968 PolarHBondContact OD2-OG 3.02Å; S968-R972 VanDerWaalsContact O-CB 3.26Å; S968-R972 WeakPolarHBondContact O-CB 3.35Å; S968-R972 WeakPolarHBondContact O-CD 3.34Å; S968-R972 WeakPolarHBondContact O-CG 3.43Å; S968-R972 PolarHBondContact O-N 3.25Å |
| 969 | I | 80.3 | Confident | 67.3 | Low | 30 Ų | 30 | 61.3 Ų | 61.3 | 15% | 0.154 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71.2 | -55.5 | -176.8 | -60.1 | 172 | 0 | 0 | 0 | 111.6 | L889 A893 D966 L967 C971 R972 V973 | L889-I969 HydrophobicContact CB-CG2 4.35Å; L889-I969 HydrophobicContact CD1-CG2 4.45Å; A893-I969 HydrophobicContact CB-CG1 4.4Å; D966-I969 HydrophobicContact CB-CD1 4.37Å; D966-I969 HydrophobicContact CB-CG1 4.41Å; D966-I969 PolarHBondContact O-N 3.11Å; L967-I969 VanDerWaalsContact C-N 3.26Å; L967-I969 PolarHBondContact O-N 3.29Å; I969-C971 PolarHBondContact O-N 3.3Å; I969-R972 PolarHBondContact O-N 2.89Å; I969-V973 HydrophobicContact CG2-CG2 4.4Å; I969-V973 WeakPolarHBondContact O-CG2 3.41Å; I969-V973 PolarHBondContact O-N 2.95Å |
| 970 | P | 83.2 | Confident | 70 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.019 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.7 | -37.9 | 175.7 | -24.1 | 33.5 | 0 | 0 | 0 | 112.8 | Y965 D966 L967 F974 L999 V1003 | Y965-P970 HydrophobicContact CE1-CG 3.91Å; D966-P970 WeakPolarHBondContact O-CD 3.49Å; L967-P970 WeakPolarHBondContact O-CD 3.34Å; P970-F974 WeakPolarHBondContact O-CB 3.5Å; P970-F974 PolarHBondContact O-N 2.9Å; P970-L999 HydrophobicContact CB-CD1 3.84Å; P970-V1003 HydrophobicContact CB-CG2 4.24Å |
| 971 | C | 84.2 | Confident | 72.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 177.7 | -172.1 | 0 | 0 | 0 | 0 | 112.2 | L967 I969 F974 I975 V1003 L1010 L1014 F1018 | L967-C971 WeakPolarHBondContact O-CB 3.33Å; L967-C971 PolarHBondContact O-N 3.15Å; I969-C971 PolarHBondContact O-N 3.3Å; C971-F974 PolarHBondContact O-N 3.26Å; C971-I975 WeakPolarHBondContact O-CD1 3.3Å; C971-I975 VanDerWaalsContact O-CG1 3.3Å; C971-I975 WeakPolarHBondContact O-CG1 3.46Å; C971-I975 PolarHBondContact O-N 2.85Å; C971-V1003 HydrophobicContact CB-CG1 4.39Å; C971-V1003 HydrophobicContact CB-CG2 4.14Å; C971-L1010 HydrophobicContact CB-CD2 4.15Å; C971-L1014 HydrophobicContact CB-CD2 3.99Å; C971-L1014 HydrophobicContact CB-CG 4.4Å; C971-F1018 WeakPolarHBondContact SG-CD2 3.24Å |
| 972 | R | 85.4 | Confident | 74.7 | Confident | 64 Ų | 64 | 42.2 Ų | 42.2 | 24% | 0.242 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.4 | -39.1 | 177.4 | -75.3 | 171.8 | -172.3 | -72.4 | 1 | 112.1 | I894 L897 S968 I969 F974 I975 F976 L1014 | I894-R972 VanDerWaalsContact CD1-CZ 3.5Å; I894-R972 VanDerWaalsContact CD1-NH2 3.27Å; I894-R972 VanDerWaalsContact CG1-CZ 3.46Å; L897-R972 HydrophobicContact CD1-CB 3.83Å; S968-R972 VanDerWaalsContact O-CB 3.26Å; S968-R972 WeakPolarHBondContact O-CB 3.35Å; S968-R972 WeakPolarHBondContact O-CD 3.34Å; S968-R972 WeakPolarHBondContact O-CG 3.43Å; S968-R972 PolarHBondContact O-N 3.25Å; I969-R972 PolarHBondContact O-N 2.89Å; R972-F974 VanDerWaalsContact C-N 3.35Å; R972-I975 PolarHBondContact O-N 3.06Å; R972-F976 VanDerWaalsContact O-CB 3.3Å; R972-F976 WeakPolarHBondContact O-CB 3.37Å; R972-F976 PolarHBondContact O-N 3.09Å; R972-L1014 HydrophobicContact CG-CD1 3.87Å |
| 973 | V | 88.3 | Confident | 76.3 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.3 | -39.4 | 175.7 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | L889 L897 L926 S930 I969 F976 I977 L999 | L889-V973 HydrophobicContact CD2-CG2 4.28Å; L897-V973 HydrophobicContact CD1-CG2 4.27Å; L926-V973 HydrophobicContact CB-CG1 4.19Å; S930-V973 WeakPolarHBondContact OG-CG2 3.4Å; I969-V973 HydrophobicContact CG2-CG2 4.4Å; I969-V973 WeakPolarHBondContact O-CG2 3.41Å; I969-V973 PolarHBondContact O-N 2.95Å; V973-F976 PolarHBondContact O-N 2.95Å; V973-I977 HydrophobicContact CG1-CD1 3.62Å; V973-I977 HydrophobicContact CG1-CG1 4.31Å; V973-I977 WeakPolarHBondContact O-CB 3.26Å; V973-I977 VanDerWaalsContact O-CG1 3.24Å; V973-I977 WeakPolarHBondContact O-CG1 3.48Å; V973-I977 PolarHBondContact O-N 3.14Å; V973-L999 HydrophobicContact CG1-CD2 4.3Å |
| 974 | F | 89.2 | Confident | 77.4 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 1% | 0.013 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59 | -52.1 | 172.9 | -174.1 | -87.6 | 0 | 0 | 0 | 111.3 | P970 C971 R972 F976 I977 I978 I996 L999 F1000 F1018 A1021 V1022 | P970-F974 WeakPolarHBondContact O-CB 3.5Å; P970-F974 PolarHBondContact O-N 2.9Å; C971-F974 PolarHBondContact O-N 3.26Å; R972-F974 VanDerWaalsContact C-N 3.35Å; F974-F976 VanDerWaalsContact C-N 3.33Å; F974-F976 PolarHBondContact O-N 3.28Å; F974-I977 PolarHBondContact O-N 3.27Å; F974-I978 HydrophobicContact CD1-CG1 4.06Å; F974-I978 HydrophobicContact CE1-CG1 3.72Å; F974-I978 HydrophobicContact CE2-CG1 4.44Å; F974-I978 HydrophobicContact CZ-CD1 4.28Å; F974-I978 HydrophobicContact CZ-CG1 3.92Å; F974-I978 WeakPolarHBondContact O-CG1 3.39Å; F974-I978 PolarHBondContact O-N 2.73Å; F974-I996 HydrophobicContact CD2-CG2 4.5Å; F974-I996 HydrophobicContact CE2-CG2 3.69Å; F974-I996 HydrophobicContact CZ-CG2 4.35Å; F974-L999 HydrophobicContact CB-CD2 3.73Å; F974-L999 HydrophobicContact CB-CG 4.08Å; F974-L999 HydrophobicContact CD2-CB 4.16Å; F974-L999 HydrophobicContact CD2-CD2 3.94Å; F974-L999 HydrophobicContact CD2-CG 4.03Å; F974-L999 HydrophobicContact CG-CD2 4.34Å; F974-F1000 HydrophobicContact CD2-CB 4.47Å; F974-F1000 HydrophobicContact CE2-CB 3.81Å; F974-F1000 HydrophobicContact CZ-CB 4.31Å; F974-F1018 HydrophobicContact CB-CE2 4.26Å; F974-F1018 AromaticContact CD1-CD2 3.84Å; F974-F1018 HydrophobicContact CD1-CD2 3.84Å; F974-F1018 AromaticContact CD1-CE2 3.54Å; F974-F1018 HydrophobicContact CD1-CE2 3.54Å; F974-F1018 HydrophobicContact CE1-CD2 4.4Å; F974-F1018 AromaticContact CE1-CE2 4Å; F974-F1018 HydrophobicContact CE1-CE2 4Å; F974-F1018 HydrophobicContact CG-CD2 4.46Å; F974-F1018 AromaticContact CG-CE2 3.88Å; F974-F1018 HydrophobicContact CG-CE2 3.88Å; F974-A1021 HydrophobicContact CD1-CB 4.1Å; F974-A1021 HydrophobicContact CE1-CB 3.94Å; F974-V1022 HydrophobicContact CE1-CG2 4Å; F974-V1022 HydrophobicContact CZ-CG2 4.34Å |
| 975 | I | 87 | Confident | 78.2 | Confident | 30 Ų | 30 | 42.7 Ų | 42.7 | 15% | 0.154 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.6 | -46.6 | 179 | -67.5 | 160.7 | 0 | 0 | 0 | 110.8 | C971 R972 S979 L1014 E1017 F1018 A1021 | C971-I975 WeakPolarHBondContact O-CD1 3.3Å; C971-I975 VanDerWaalsContact O-CG1 3.3Å; C971-I975 WeakPolarHBondContact O-CG1 3.46Å; C971-I975 PolarHBondContact O-N 2.85Å; R972-I975 PolarHBondContact O-N 3.06Å; I975-S979 VanDerWaalsContact O-CB 3.28Å; I975-S979 WeakPolarHBondContact O-CB 3.27Å; I975-S979 PolarHBondContact O-N 3.43Å; I975-L1014 HydrophobicContact CD1-CD1 3.53Å; I975-L1014 HydrophobicContact CD1-CG 4.36Å; I975-E1017 HydrophobicContact CD1-CB 3.79Å; I975-E1017 HydrophobicContact CG1-CB 4.48Å; I975-F1018 HydrophobicContact CD1-CB 4.23Å; I975-F1018 HydrophobicContact CG1-CB 4.5Å; I975-F1018 HydrophobicContact CG1-CD2 4.42Å; I975-A1021 HydrophobicContact CG1-CB 4.16Å |
| 976 | F | 88.7 | Confident | 78.6 | Confident | 13 Ų | 13 | 39 Ų | 39 | 6% | 0.057 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.1 | -51.1 | 178.3 | 171.7 | -103 | 0 | 0 | 0 | 111.2 | L897 L900 T901 Y923 L926 R972 V973 F974 I978 S979 Q980 | L897-F976 HydrophobicContact CB-CD2 4.22Å; L897-F976 HydrophobicContact CB-CG 4.46Å; L897-F976 HydrophobicContact CD1-CB 4.25Å; L897-F976 HydrophobicContact CD2-CB 4.29Å; L897-F976 HydrophobicContact CD2-CD1 3.89Å; L897-F976 HydrophobicContact CD2-CD2 4.3Å; L897-F976 HydrophobicContact CD2-CE1 4.29Å; L897-F976 HydrophobicContact CD2-CG 3.9Å; L900-F976 HydrophobicContact CB-CE2 4.04Å; L900-F976 HydrophobicContact CB-CZ 3.79Å; L900-F976 HydrophobicContact CD1-CZ 4.31Å; T901-F976 WeakPolarHBondContact OG1-CE2 3.34Å; Y923-F976 AromaticContact CD1-CE1 3.92Å; Y923-F976 HydrophobicContact CD1-CE1 3.92Å; Y923-F976 AromaticContact CE1-CE1 3.7Å; Y923-F976 HydrophobicContact CE1-CE1 3.7Å; Y923-F976 AromaticContact CE1-CZ 3.97Å; Y923-F976 HydrophobicContact CE1-CZ 3.97Å; L926-F976 HydrophobicContact CD1-CD1 4.12Å; L926-F976 HydrophobicContact CD1-CE1 3.68Å; R972-F976 VanDerWaalsContact O-CB 3.3Å; R972-F976 WeakPolarHBondContact O-CB 3.37Å; R972-F976 PolarHBondContact O-N 3.09Å; V973-F976 PolarHBondContact O-N 2.95Å; F974-F976 VanDerWaalsContact C-N 3.33Å; F974-F976 PolarHBondContact O-N 3.28Å; F976-I978 PolarHBondContact O-N 3.44Å; F976-S979 PolarHBondContact O-N 2.9Å; F976-Q980 HydrophobicContact CD1-CG 4.43Å; F976-Q980 HydrophobicContact CD2-CG 4.06Å; F976-Q980 HydrophobicContact CE1-CG 4.1Å; F976-Q980 HydrophobicContact CE2-CG 3.69Å; F976-Q980 HydrophobicContact CG-CG 4.42Å; F976-Q980 HydrophobicContact CZ-CG 3.72Å; F976-Q980 VanDerWaalsContact O-CG 3.27Å; F976-Q980 WeakPolarHBondContact O-CG 3.3Å; F976-Q980 PolarHBondContact O-N 3.42Å |
| 977 | I | 88.1 | Confident | 78.4 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.015 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.9 | -45.7 | -176.5 | -68.4 | 170.3 | 0 | 0 | 0 | 111.4 | I927 V973 F974 S979 Q980 L981 I991 | I927-I977 HydrophobicContact CD1-CD1 3.76Å; I927-I977 HydrophobicContact CG1-CD1 3.2Å; V973-I977 HydrophobicContact CG1-CD1 3.62Å; V973-I977 HydrophobicContact CG1-CG1 4.31Å; V973-I977 WeakPolarHBondContact O-CB 3.26Å; V973-I977 VanDerWaalsContact O-CG1 3.24Å; V973-I977 WeakPolarHBondContact O-CG1 3.48Å; V973-I977 PolarHBondContact O-N 3.14Å; F974-I977 PolarHBondContact O-N 3.27Å; I977-S979 VanDerWaalsContact C-N 3.32Å; I977-S979 PolarHBondContact O-N 3.11Å; I977-Q980 PolarHBondContact O-N 3.32Å; I977-L981 HydrophobicContact CG2-CD1 3.93Å; I977-L981 HydrophobicContact CG2-CG 4.27Å; I977-L981 WeakPolarHBondContact O-CB 3.44Å; I977-L981 WeakPolarHBondContact O-CG 3.1Å; I977-L981 PolarHBondContact O-N 3.21Å; I977-I991 HydrophobicContact CG2-CD1 3.92Å |
| 978 | I | 87.9 | Confident | 78.2 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 178.1 | -62.9 | -55.6 | 0 | 0 | 0 | 110.6 | F974 F976 Q980 L981 S982 I996 A1021 E1024 L1030 | F974-I978 HydrophobicContact CD1-CG1 4.06Å; F974-I978 HydrophobicContact CE1-CG1 3.72Å; F974-I978 HydrophobicContact CE2-CG1 4.44Å; F974-I978 HydrophobicContact CZ-CD1 4.28Å; F974-I978 HydrophobicContact CZ-CG1 3.92Å; F974-I978 WeakPolarHBondContact O-CG1 3.39Å; F974-I978 PolarHBondContact O-N 2.73Å; F976-I978 PolarHBondContact O-N 3.44Å; I978-Q980 VanDerWaalsContact C-N 3.29Å; I978-Q980 PolarHBondContact O-N 3.48Å; I978-L981 PolarHBondContact O-N 2.96Å; I978-S982 PolarHBondContact O-N 2.92Å; I978-S982 VanDerWaalsContact O-N 3.09Å; I978-S982 PolarHBondContact O-OG 3.42Å; I978-I996 HydrophobicContact CD1-CG2 4.12Å; I978-A1021 HydrophobicContact CB-CB 4.24Å; I978-A1021 HydrophobicContact CG2-CB 4.24Å; I978-E1024 HydrophobicContact CG2-CB 4.02Å; I978-E1024 HydrophobicContact CG2-CG 3.86Å; I978-L1030 HydrophobicContact CD1-CD1 3.79Å |
| 979 | S | 85.5 | Confident | 78.1 | Confident | 55 Ų | 55 | 49.1 Ų | 49.1 | 39% | 0.385 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63 | -33.3 | 177 | 178 | 0 | 0 | 0 | 0 | 113.2 | I975 F976 I977 S982 M983 | I975-S979 VanDerWaalsContact O-CB 3.28Å; I975-S979 WeakPolarHBondContact O-CB 3.27Å; I975-S979 PolarHBondContact O-N 3.43Å; F976-S979 PolarHBondContact O-N 2.9Å; I977-S979 VanDerWaalsContact C-N 3.32Å; I977-S979 PolarHBondContact O-N 3.11Å; S979-S982 PolarHBondContact O-OG 3.3Å; S979-M983 WeakPolarHBondContact O-CG 3.05Å |
| 980 | Q | 83.9 | Confident | 77.8 | Confident | 5 Ų | 5 | 55.3 Ų | 55.3 | 2% | 0.023 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -75.7 | -37.2 | 176.6 | -67.7 | -54.2 | -69.8 | 0 | 0 | 112 | Y923 F976 I977 I978 S982 M983 S986 | Y923-Q980 HydrophobicContact CE1-CB 4.32Å; Y923-Q980 HydrophobicContact CE1-CG 4.17Å; Y923-Q980 HydrophobicContact CE2-CB 4.24Å; Y923-Q980 WeakPolarHBondContact OH-CB 3.44Å; Y923-Q980 PolarHBondContact OH-OE1 2.97Å; F976-Q980 HydrophobicContact CD1-CG 4.43Å; F976-Q980 HydrophobicContact CD2-CG 4.06Å; F976-Q980 HydrophobicContact CE1-CG 4.1Å; F976-Q980 HydrophobicContact CE2-CG 3.69Å; F976-Q980 HydrophobicContact CG-CG 4.42Å; F976-Q980 HydrophobicContact CZ-CG 3.72Å; F976-Q980 VanDerWaalsContact O-CG 3.27Å; F976-Q980 WeakPolarHBondContact O-CG 3.3Å; F976-Q980 PolarHBondContact O-N 3.42Å; I977-Q980 PolarHBondContact O-N 3.32Å; I978-Q980 VanDerWaalsContact C-N 3.29Å; I978-Q980 PolarHBondContact O-N 3.48Å; Q980-S982 VanDerWaalsContact C-N 3.3Å; Q980-S982 PolarHBondContact O-N 3.06Å; Q980-M983 PolarHBondContact O-N 2.87Å; Q980-S986 WeakPolarHBondContact O-CB 3.4Å; Q980-S986 PolarHBondContact O-OG 3.05Å |
| 981 | L | 82.6 | Confident | 77.5 | Confident | 30 Ų | 30 | 56.3 Ų | 56.3 | 16% | 0.157 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.6 | -23.9 | 178.4 | -72.2 | 178.2 | 0 | 0 | 0 | 113.5 | I977 I978 M983 S986 I989 I991 I996 L1030 | I977-L981 HydrophobicContact CG2-CD1 3.93Å; I977-L981 HydrophobicContact CG2-CG 4.27Å; I977-L981 WeakPolarHBondContact O-CB 3.44Å; I977-L981 WeakPolarHBondContact O-CG 3.1Å; I977-L981 PolarHBondContact O-N 3.21Å; I978-L981 PolarHBondContact O-N 2.96Å; L981-M983 VanDerWaalsContact C-N 3.33Å; L981-S986 PolarHBondContact O-OG 3.4Å; L981-I989 HydrophobicContact CD2-CB 4.32Å; L981-I989 HydrophobicContact CD2-CG2 4.27Å; L981-I991 HydrophobicContact CD1-CD1 4.03Å; L981-I991 HydrophobicContact CD2-CD1 3.88Å; L981-I991 HydrophobicContact CD2-CG1 4.21Å; L981-I991 HydrophobicContact CG-CD1 4.22Å; L981-I996 HydrophobicContact CD1-CD1 4.13Å; L981-L1030 HydrophobicContact CD1-CD1 3.98Å |
| 982 | S | 78 | Confident | 77.4 | Confident | 61 Ų | 61 | 60.3 Ų | 60.3 | 43% | 0.427 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -9.7 | 178.7 | 67.1 | 0 | 0 | 0 | 0 | 114.7 | I978 S979 Q980 E1024 | I978-S982 PolarHBondContact O-N 2.92Å; I978-S982 VanDerWaalsContact O-N 3.09Å; I978-S982 PolarHBondContact O-OG 3.42Å; S979-S982 PolarHBondContact O-OG 3.3Å; Q980-S982 VanDerWaalsContact C-N 3.3Å; Q980-S982 PolarHBondContact O-N 3.06Å; S982-E1024 WeakPolarHBondContact CB-OE1 3.21Å; S982-E1024 PolarHBondContact OG-OE1 2.99Å |
| 983 | M | 75.2 | Confident | 77.2 | Confident | 101 Ų | 101 | 60.8 Ų | 60.8 | 50% | 0.498 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -66.1 | 143.7 | 175.5 | -60.2 | -168.6 | 76.3 | 0 | 0 | 111.5 | S979 Q980 L981 H985 S986 | S979-M983 WeakPolarHBondContact O-CG 3.05Å; Q980-M983 PolarHBondContact O-N 2.87Å; L981-M983 VanDerWaalsContact C-N 3.33Å; M983-H985 PolarHBondContact O-N 3.48Å; M983-S986 PolarHBondContact O-N 3.22Å; M983-S986 PolarHBondContact O-OG 3.39Å |
| 984 | V | 59.4 | Low | 76.9 | Confident | 114 Ų | 114 | 65.8 Ų | 65.8 | 69% | 0.691 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25.9 | -172.7 | 179.7 | 0 | 0 | 0 | 0 | 113.4 | ||
| 985 | H | 59.1 | Low | 76.7 | Confident | 169 Ų | 169 | 66.7 Ų | 66.7 | 78% | 0.782 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -5.6 | -172.9 | -62.3 | 64.4 | 0 | 0 | 0 | 113.5 | M983 | M983-H985 PolarHBondContact O-N 3.48Š|
| 986 | S | 59.7 | Low | 76.6 | Confident | 11 Ų | 11 | 65.4 Ų | 65.4 | 8% | 0.077 | 33% | 0.334 | C | S | . | . | trans | -103.1 | 10.4 | -175.7 | 48 | 0 | 0 | 0 | 0 | 114.4 | Q980 L981 M983 E988 I989 | Q980-S986 WeakPolarHBondContact O-CB 3.4Å; Q980-S986 PolarHBondContact O-OG 3.05Å; L981-S986 PolarHBondContact O-OG 3.4Å; M983-S986 PolarHBondContact O-N 3.22Å; M983-S986 PolarHBondContact O-OG 3.39Å; S986-E988 PolarHBondContact O-N 3.36Å; S986-I989 WeakPolarHBondContact O-CB 3.43Å; S986-I989 PolarHBondContact O-N 2.69Å | ||
| 987 | K | 58.5 | Low | 76.5 | Confident | 180 Ų | 180 | 67.4 Ų | 67.4 | 78% | 0.783 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -16 | -177.6 | -73.8 | -174.2 | 177.1 | -178.9 | 0 | 115.5 | ||
| 988 | E | 63.9 | Low | 76.3 | Confident | 137 Ų | 137 | 72.2 Ų | 72.2 | 64% | 0.64 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -3.5 | 178.6 | -65.1 | -179.2 | 155.4 | 0 | 0 | 113.1 | Q916 S986 E990 | Q916-E988 PolarHBondContact NE2-OE2 3.37Å; Q916-E988 PolarHBondContact OE1-OE2 2.94Å; S986-E988 PolarHBondContact O-N 3.36Å; E988-E990 PolarHBondContact O-N 3.49Å |
| 989 | I | 72.6 | Confident | 76.1 | Confident | 18 Ų | 18 | 72.2 Ų | 72.2 | 9% | 0.092 | 36% | 0.363 | C | S | . | . | trans | -80.8 | 100.2 | 178.8 | -57.1 | -179.2 | 0 | 0 | 0 | 109.3 | C919 Q920 Y923 L981 S986 I991 | C919-I989 HydrophobicContact CB-CD1 3.83Å; Q920-I989 HydrophobicContact CB-CG2 4Å; Q920-I989 HydrophobicContact CG-CG2 4.15Å; Y923-I989 HydrophobicContact CD2-CG2 4.15Å; Y923-I989 HydrophobicContact CE2-CD1 4.01Å; Y923-I989 HydrophobicContact CE2-CG2 4.4Å; L981-I989 HydrophobicContact CD2-CB 4.32Å; L981-I989 HydrophobicContact CD2-CG2 4.27Å; S986-I989 WeakPolarHBondContact O-CB 3.43Å; S986-I989 PolarHBondContact O-N 2.69Å; I989-I991 HydrophobicContact CG2-CG1 4.19Å; I989-I991 PolarHBondContact O-N 3.5Å | ||
| 990 | E | 72.7 | Confident | 76.1 | Confident | 161 Ų | 161 | 69.6 Ų | 69.6 | 75% | 0.752 | 35% | 0.345 | S | S | * | . | trans | -78.6 | 117.6 | 175.6 | -67.9 | -174 | 168.5 | 0 | 0 | 111.5 | Q920 E988 | Q920-E990 PolarHBondContact NE2-O 2.99Å; E988-E990 PolarHBondContact O-N 3.49Å | ||
| 991 | I | 77.9 | Confident | 76.1 | Confident | 24 Ų | 24 | 73.6 Ų | 73.6 | 12% | 0.123 | 36% | 0.363 | C | S | . | . | trans | -116.7 | 139 | 170.5 | -57 | -169.4 | 0 | 0 | 0 | 108.9 | Y923 I927 I977 L981 I989 H993 I996 | Y923-I991 HydrophobicContact CD2-CD1 3.96Å; Y923-I991 HydrophobicContact CG-CD1 4.32Å; I927-I991 HydrophobicContact CD1-CG2 3.84Å; I977-I991 HydrophobicContact CG2-CD1 3.92Å; L981-I991 HydrophobicContact CD1-CD1 4.03Å; L981-I991 HydrophobicContact CD2-CD1 3.88Å; L981-I991 HydrophobicContact CD2-CG1 4.21Å; L981-I991 HydrophobicContact CG-CD1 4.22Å; I989-I991 HydrophobicContact CG2-CG1 4.19Å; I989-I991 PolarHBondContact O-N 3.5Å; I991-H993 PolarHBondContact O-CD2 3.21Å; I991-H993 PolarHBondContact O-N 3Å; I991-I996 HydrophobicContact CB-CD1 4.45Å; I991-I996 HydrophobicContact CG2-CD1 4.1Å; I991-I996 HydrophobicContact CG2-CG1 4.14Å | ||
| 992 | D | 80.9 | Confident | 76.1 | Confident | 84 Ų | 84 | 73.8 Ų | 73.8 | 45% | 0.449 | 37% | 0.366 | S | S | . | . | trans | -62.5 | 118.7 | 177.3 | -176.6 | -1.7 | 0 | 0 | 0 | 111.1 | N994 L995 I996 | D992-N994 PolarHBondContact O-N 2.85Å; D992-N994 VanDerWaalsContact O-N 3.17Å; D992-N994 WeakPolarHBondContact OD1-CB 3.28Å; D992-N994 PolarHBondContact OD1-N 3.27Å; D992-N994 PolarHBondContact OD1-ND2 3.48Å; D992-L995 HydrophobicContact CB-CB 4.41Å; D992-L995 HydrophobicContact CB-CD1 3.99Å; D992-L995 HydrophobicContact CB-CG 4.16Å; D992-L995 WeakPolarHBondContact O-CB 3.47Å; D992-L995 PolarHBondContact O-N 3.15Å; D992-I996 PolarHBondContact O-N 2.56Å | ||
| 993 | H | 81.7 | Confident | 76.2 | Confident | 73 Ų | 73 | 71 Ų | 71 | 34% | 0.338 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.1 | -29 | -180 | -69.2 | -145.8 | 0 | 0 | 0 | 111.9 | I991 L995 I996 Y997 G1029 | I991-H993 PolarHBondContact O-CD2 3.21Å; I991-H993 PolarHBondContact O-N 3Å; H993-L995 VanDerWaalsContact C-N 3.33Å; H993-I996 PolarHBondContact O-N 2.83Å; H993-Y997 PolarHBondContact O-N 3.18Å; H993-G1029 PolarHBondContact CE1-O 3.47Å; H993-G1029 PolarHBondContact ND1-O 3.05Å |
| 994 | N | 83.2 | Confident | 76.4 | Confident | 105 Ų | 105 | 66.8 Ų | 66.8 | 56% | 0.561 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -67 | -35.8 | 177.3 | -67.5 | -46.6 | 0 | 0 | 0 | 112 | D992 Y997 Q998 | D992-N994 PolarHBondContact O-N 2.85Å; D992-N994 VanDerWaalsContact O-N 3.17Å; D992-N994 WeakPolarHBondContact OD1-CB 3.28Å; D992-N994 PolarHBondContact OD1-N 3.27Å; D992-N994 PolarHBondContact OD1-ND2 3.48Å; N994-Y997 PolarHBondContact O-N 3.44Å; N994-Q998 WeakPolarHBondContact O-CB 3.25Å; N994-Q998 VanDerWaalsContact O-CG 3.26Å; N994-Q998 WeakPolarHBondContact O-CG 3.43Å; N994-Q998 PolarHBondContact O-N 2.9Å |
| 995 | L | 83.9 | Confident | 77.2 | Confident | 22 Ų | 22 | 65.7 Ų | 65.7 | 12% | 0.115 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.7 | -39.5 | 177.6 | -75.7 | 173.6 | 0 | 0 | 0 | 111.1 | I927 L931 D992 H993 Q998 L999 | I927-L995 HydrophobicContact CD1-CB 4.45Å; I927-L995 HydrophobicContact CG2-CB 4.14Å; I927-L995 HydrophobicContact CG2-CD2 4.32Å; L931-L995 HydrophobicContact CD1-CD2 3.91Å; D992-L995 HydrophobicContact CB-CB 4.41Å; D992-L995 HydrophobicContact CB-CD1 3.99Å; D992-L995 HydrophobicContact CB-CG 4.16Å; D992-L995 WeakPolarHBondContact O-CB 3.47Å; D992-L995 PolarHBondContact O-N 3.15Å; H993-L995 VanDerWaalsContact C-N 3.33Å; L995-Q998 PolarHBondContact O-N 3.45Å; L995-L999 WeakPolarHBondContact O-CB 3.13Å; L995-L999 PolarHBondContact O-N 3.41Å |
| 996 | I | 85.3 | Confident | 77.8 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 174.9 | -62 | 177.6 | 0 | 0 | 0 | 110.6 | F974 I978 L981 I991 D992 H993 L999 F1000 L1030 | F974-I996 HydrophobicContact CD2-CG2 4.5Å; F974-I996 HydrophobicContact CE2-CG2 3.69Å; F974-I996 HydrophobicContact CZ-CG2 4.35Å; I978-I996 HydrophobicContact CD1-CG2 4.12Å; L981-I996 HydrophobicContact CD1-CD1 4.13Å; I991-I996 HydrophobicContact CB-CD1 4.45Å; I991-I996 HydrophobicContact CG2-CD1 4.1Å; I991-I996 HydrophobicContact CG2-CG1 4.14Å; D992-I996 PolarHBondContact O-N 2.56Å; H993-I996 PolarHBondContact O-N 2.83Å; I996-L999 PolarHBondContact O-N 3.18Å; I996-F1000 PolarHBondContact O-N 3.27Å; I996-L1030 HydrophobicContact CD1-CB 4.47Å; I996-L1030 HydrophobicContact CD1-CD1 4.1Å; I996-L1030 HydrophobicContact CD1-CD2 4.02Å; I996-L1030 HydrophobicContact CD1-CG 4.44Å |
| 997 | Y | 85.5 | Confident | 77.7 | Confident | 55 Ų | 55 | 66 Ų | 66 | 22% | 0.216 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 175.2 | 178.9 | -103.9 | 0 | 0 | 0 | 112.5 | H993 N994 L999 F1000 K1001 L1031 | H993-Y997 PolarHBondContact O-N 3.18Å; N994-Y997 PolarHBondContact O-N 3.44Å; Y997-L999 VanDerWaalsContact C-N 3.3Å; Y997-L999 PolarHBondContact O-N 3.25Å; Y997-F1000 HydrophobicContact CD2-CD1 4.39Å; Y997-F1000 HydrophobicContact CE2-CD1 4.43Å; Y997-F1000 PolarHBondContact O-N 3.48Å; Y997-K1001 HydrophobicContact CE1-CD 4.39Å; Y997-K1001 VanDerWaalsContact O-CB 3.29Å; Y997-K1001 WeakPolarHBondContact O-CB 3.41Å; Y997-K1001 PolarHBondContact O-N 2.89Å; Y997-L1031 HydrophobicContact CD2-CD2 4.02Å |
| 998 | Q | 84.2 | Confident | 77.7 | Confident | 104 Ų | 104 | 62 Ų | 62 | 49% | 0.486 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 175.3 | -77.1 | 175.5 | 0.4 | 0 | 0 | 111.9 | L931 N994 L995 C1002 | L931-Q998 HydrophobicContact CD1-CB 4.41Å; L931-Q998 HydrophobicContact CD2-CB 4.41Å; N994-Q998 WeakPolarHBondContact O-CB 3.25Å; N994-Q998 VanDerWaalsContact O-CG 3.26Å; N994-Q998 WeakPolarHBondContact O-CG 3.43Å; N994-Q998 PolarHBondContact O-N 2.9Å; L995-Q998 PolarHBondContact O-N 3.45Å; Q998-C1002 VanDerWaalsContact O-CB 3.25Å; Q998-C1002 WeakPolarHBondContact O-CB 3.48Å; Q998-C1002 PolarHBondContact O-N 3.28Å |
| 999 | L | 83.6 | Confident | 77.6 | Confident | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.016 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.1 | -44.1 | 175.8 | -167.4 | 64.8 | 0 | 0 | 0 | 111.6 | L931 P970 V973 F974 L995 I996 Y997 C1002 V1003 | L931-L999 HydrophobicContact CD2-CD1 4.11Å; P970-L999 HydrophobicContact CB-CD1 3.84Å; V973-L999 HydrophobicContact CG1-CD2 4.3Å; F974-L999 HydrophobicContact CB-CD2 3.73Å; F974-L999 HydrophobicContact CB-CG 4.08Å; F974-L999 HydrophobicContact CD2-CB 4.16Å; F974-L999 HydrophobicContact CD2-CD2 3.94Å; F974-L999 HydrophobicContact CD2-CG 4.03Å; F974-L999 HydrophobicContact CG-CD2 4.34Å; L995-L999 WeakPolarHBondContact O-CB 3.13Å; L995-L999 PolarHBondContact O-N 3.41Å; I996-L999 PolarHBondContact O-N 3.18Å; Y997-L999 VanDerWaalsContact C-N 3.3Å; Y997-L999 PolarHBondContact O-N 3.25Å; L999-C1002 WeakPolarHBondContact O-CB 3.01Å; L999-C1002 PolarHBondContact O-N 3.19Å; L999-V1003 WeakPolarHBondContact O-CG2 3.44Å; L999-V1003 PolarHBondContact O-N 3.2Å |
| 1000 | F | 85.6 | Confident | 77.2 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 173.2 | 168.4 | -106.1 | 0 | 0 | 0 | 112.2 | F974 I996 Y997 V1003 C1004 F1018 V1022 L1031 L1040 | F974-F1000 HydrophobicContact CD2-CB 4.47Å; F974-F1000 HydrophobicContact CE2-CB 3.81Å; F974-F1000 HydrophobicContact CZ-CB 4.31Å; I996-F1000 PolarHBondContact O-N 3.27Å; Y997-F1000 HydrophobicContact CD2-CD1 4.39Å; Y997-F1000 HydrophobicContact CE2-CD1 4.43Å; Y997-F1000 PolarHBondContact O-N 3.48Å; F1000-V1003 PolarHBondContact O-N 2.79Å; F1000-C1004 WeakPolarHBondContact CE2-SG 3.42Å; F1000-C1004 WeakPolarHBondContact CZ-SG 3.46Å; F1000-C1004 PolarHBondContact O-N 3.34Å; F1000-C1004 VanDerWaalsContact O-N 3.07Å; F1000-C1004 PolarHBondContact O-SG 2.95Å; F1000-C1004 VanDerWaalsContact O-SG 3.33Å; F1000-F1018 HydrophobicContact CD2-CE1 4.28Å; F1000-F1018 AromaticContact CD2-CZ 3.77Å; F1000-F1018 HydrophobicContact CD2-CZ 3.77Å; F1000-F1018 HydrophobicContact CE2-CE1 4.29Å; F1000-F1018 HydrophobicContact CE2-CZ 4.24Å; F1000-V1022 HydrophobicContact CD2-CG1 4.43Å; F1000-V1022 HydrophobicContact CD2-CG2 3.72Å; F1000-V1022 HydrophobicContact CE2-CB 4.49Å; F1000-V1022 HydrophobicContact CE2-CG1 3.88Å; F1000-V1022 HydrophobicContact CE2-CG2 3.68Å; F1000-L1031 HydrophobicContact CD1-CD1 4.41Å; F1000-L1031 HydrophobicContact CD2-CD1 4.39Å; F1000-L1031 HydrophobicContact CG-CD1 4.21Å; F1000-L1040 HydrophobicContact CE1-CD1 4.34Å |
| 1001 | K | 84 | Confident | 76.7 | Confident | 90 Ų | 90 | 62.5 Ų | 62.5 | 39% | 0.391 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 178.2 | -178.8 | 174.6 | 175.9 | 178.7 | 0 | 111.5 | Y997 V1003 C1004 D1005 | Y997-K1001 HydrophobicContact CE1-CD 4.39Å; Y997-K1001 VanDerWaalsContact O-CB 3.29Å; Y997-K1001 WeakPolarHBondContact O-CB 3.41Å; Y997-K1001 PolarHBondContact O-N 2.89Å; K1001-V1003 VanDerWaalsContact C-N 3.25Å; K1001-V1003 PolarHBondContact O-N 2.71Å; K1001-C1004 PolarHBondContact O-N 2.9Å; K1001-C1004 VanDerWaalsContact O-N 3.11Å; K1001-D1005 WeakPolarHBondContact CE-OD2 3.28Å; K1001-D1005 VanDerWaalsContact CG-OD2 3.31Å; K1001-D1005 WeakPolarHBondContact CG-OD2 3.47Å; K1001-D1005 WeakPolarHBondContact O-CB 3.47Å; K1001-D1005 PolarHBondContact O-N 2.79Å |
| 1002 | C | 82.7 | Confident | 75.8 | Confident | 34 Ų | 34 | 67.5 Ų | 67.5 | 23% | 0.23 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.7 | -39.5 | 175.9 | -179 | 0 | 0 | 0 | 0 | 112 | Q998 L999 | Q998-C1002 VanDerWaalsContact O-CB 3.25Å; Q998-C1002 WeakPolarHBondContact O-CB 3.48Å; Q998-C1002 PolarHBondContact O-N 3.28Å; L999-C1002 WeakPolarHBondContact O-CB 3.01Å; L999-C1002 PolarHBondContact O-N 3.19Å |
| 1003 | V | 81.5 | Confident | 75.1 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70 | -40.5 | 175.9 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | P970 C971 L999 F1000 K1001 S1006 L1010 F1018 | P970-V1003 HydrophobicContact CB-CG2 4.24Å; C971-V1003 HydrophobicContact CB-CG1 4.39Å; C971-V1003 HydrophobicContact CB-CG2 4.14Å; L999-V1003 WeakPolarHBondContact O-CG2 3.44Å; L999-V1003 PolarHBondContact O-N 3.2Å; F1000-V1003 PolarHBondContact O-N 2.79Å; K1001-V1003 VanDerWaalsContact C-N 3.25Å; K1001-V1003 PolarHBondContact O-N 2.71Å; V1003-S1006 PolarHBondContact O-OG 3.22Å; V1003-L1010 HydrophobicContact CG1-CD1 3.92Å; V1003-F1018 HydrophobicContact CB-CE1 4.37Å; V1003-F1018 HydrophobicContact CB-CE2 4.1Å; V1003-F1018 HydrophobicContact CB-CZ 3.69Å; V1003-F1018 HydrophobicContact CG1-CD1 4.35Å; V1003-F1018 HydrophobicContact CG1-CD2 4.47Å; V1003-F1018 HydrophobicContact CG1-CE1 3.76Å; V1003-F1018 HydrophobicContact CG1-CE2 3.91Å; V1003-F1018 HydrophobicContact CG1-CZ 3.51Å; V1003-F1018 HydrophobicContact CG2-CE2 4.09Å; V1003-F1018 HydrophobicContact CG2-CZ 4.19Å |
| 1004 | C | 78.8 | Confident | 74.7 | Confident | 13 Ų | 13 | 64 Ų | 64 | 9% | 0.088 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -73.6 | -38.1 | -177.6 | -63.8 | 0 | 0 | 0 | 0 | 114 | F1000 K1001 S1006 L1040 | F1000-C1004 WeakPolarHBondContact CE2-SG 3.42Å; F1000-C1004 WeakPolarHBondContact CZ-SG 3.46Å; F1000-C1004 PolarHBondContact O-N 3.34Å; F1000-C1004 VanDerWaalsContact O-N 3.07Å; F1000-C1004 PolarHBondContact O-SG 2.95Å; F1000-C1004 VanDerWaalsContact O-SG 3.33Å; K1001-C1004 PolarHBondContact O-N 2.9Å; K1001-C1004 VanDerWaalsContact O-N 3.11Å; C1004-S1006 VanDerWaalsContact C-N 3.26Å; C1004-S1006 PolarHBondContact O-N 3.38Å; C1004-L1040 HydrophobicContact CB-CB 4.37Å |
| 1005 | D | 76.3 | Confident | 74.3 | Confident | 91 Ų | 91 | 60.5 Ų | 60.5 | 49% | 0.487 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -74 | -14.2 | -176.5 | -73.2 | -5.9 | 0 | 0 | 0 | 113.4 | K1001 | K1001-D1005 WeakPolarHBondContact CE-OD2 3.28Å; K1001-D1005 VanDerWaalsContact CG-OD2 3.31Å; K1001-D1005 WeakPolarHBondContact CG-OD2 3.47Å; K1001-D1005 WeakPolarHBondContact O-CB 3.47Å; K1001-D1005 PolarHBondContact O-N 2.79Å |
| 1006 | S | 70.3 | Confident | 73.9 | Confident | 23 Ų | 23 | 62 Ų | 62 | 16% | 0.161 | 32% | 0.322 | C | S | . | . | trans | -68.2 | 144 | -179.3 | 66 | 0 | 0 | 0 | 0 | 112.4 | L967 V1003 C1004 D1008 K1044 | L967-S1006 VanDerWaalsContact CD1-OG 3.27Å; L967-S1006 WeakPolarHBondContact CD1-OG 3.23Å; L967-S1006 WeakPolarHBondContact CD2-OG 3.29Å; V1003-S1006 PolarHBondContact O-OG 3.22Å; C1004-S1006 VanDerWaalsContact C-N 3.26Å; C1004-S1006 PolarHBondContact O-N 3.38Å; S1006-D1008 VanDerWaalsContact C-N 3.35Å; S1006-K1044 PolarHBondContact O-NZ 2.9Å | ||
| 1007 | N | 57.5 | Low | 73.7 | Confident | 164 Ų | 164 | 66.4 Ų | 66.4 | 88% | 0.877 | 34% | 0.342 | S | S | * | . | trans | -82.4 | -12.4 | 175.9 | -79.3 | -26 | 0 | 0 | 0 | 113.5 | ||||
| 1008 | D | 60.5 | Low | 73.7 | Confident | 97 Ų | 97 | 63.8 Ų | 63.8 | 52% | 0.519 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -76 | 144.7 | -175.4 | -69.7 | -35 | 0 | 0 | 0 | 112.6 | L967 S1006 K1044 | L967-D1008 HydrophobicContact CD2-CB 4.13Å; S1006-D1008 VanDerWaalsContact C-N 3.35Å; D1008-K1044 PolarHBondContact O-NZ 2.82Å |
| 1009 | K | 61.6 | Low | 73.7 | Confident | 207 Ų | 207 | 59 Ų | 59 | 90% | 0.9 | 31% | 0.31 | S | S | * | . | P | Polyproline II helix | trans | -81.5 | 117.3 | 178 | -73.9 | -179.4 | -180 | 172.9 | 0 | 109.9 | ||
| 1010 | L | 64 | Low | 73.8 | Confident | 29 Ų | 29 | 63.2 Ų | 63.2 | 15% | 0.152 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 140.1 | 171.8 | -84.5 | 151.1 | 0 | 0 | 0 | 111.6 | L967 C971 V1003 L1014 L1015 | L967-L1010 HydrophobicContact CD2-CG 4.14Å; C971-L1010 HydrophobicContact CB-CD2 4.15Å; V1003-L1010 HydrophobicContact CG1-CD1 3.92Å; L1010-L1014 HydrophobicContact CD2-CB 4.48Å; L1010-L1014 HydrophobicContact CD2-CD2 3.76Å; L1010-L1014 HydrophobicContact CD2-CG 4.11Å; L1010-L1015 HydrophobicContact CB-CB 4.43Å; L1010-L1015 HydrophobicContact CB-CD1 3.96Å; L1010-L1015 HydrophobicContact CD1-CD1 3.93Å |
| 1011 | C | 61.2 | Low | 73.8 | Confident | 90 Ų | 90 | 63.4 Ų | 63.4 | 61% | 0.608 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 140.1 | 169 | -78.2 | 0 | 0 | 0 | 0 | 110.6 | S1013 L1014 L1015 | C1011-S1013 VanDerWaalsContact C-N 3.29Å; C1011-S1013 PolarHBondContact O-N 3.02Å; C1011-L1014 HydrophobicContact CB-CB 4.43Å; C1011-L1014 PolarHBondContact O-N 2.87Å; C1011-L1014 VanDerWaalsContact O-N 3.09Å; C1011-L1015 PolarHBondContact O-N 3.35Å |
| 1012 | R | 60.3 | Low | 73.9 | Confident | 128 Ų | 128 | 59.1 Ų | 59.1 | 48% | 0.483 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -55.3 | -38.4 | -173.7 | -68.7 | -176.5 | -173.9 | 162.6 | 2.8 | 114.1 | S1016 A1077 N1081 | R1012-S1016 PolarHBondContact O-N 3.02Å; R1012-S1016 PolarHBondContact O-OG 3.48Å; R1012-A1077 PolarHBondContact NH1-O 3.15Å; R1012-N1081 PolarHBondContact NH1-ND2 3.34Å; R1012-N1081 PolarHBondContact NH1-OD1 3.3Å |
| 1013 | S | 64.8 | Low | 74.1 | Confident | 77 Ų | 77 | 58.3 Ų | 58.3 | 54% | 0.538 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.4 | -46.5 | 177.8 | 51 | 0 | 0 | 0 | 0 | 111.8 | C1011 L1015 S1016 E1017 | C1011-S1013 VanDerWaalsContact C-N 3.29Å; C1011-S1013 PolarHBondContact O-N 3.02Å; S1013-L1015 VanDerWaalsContact C-N 3.3Å; S1013-L1015 PolarHBondContact O-N 3.28Å; S1013-S1016 PolarHBondContact O-N 3.39Å; S1013-S1016 PolarHBondContact O-OG 3.43Å; S1013-E1017 PolarHBondContact O-N 3.13Å |
| 1014 | L | 72.9 | Confident | 74.2 | Confident | 7 Ų | 7 | 61.4 Ų | 61.4 | 4% | 0.037 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.5 | -32.9 | 179.4 | -165.8 | 64.6 | 0 | 0 | 0 | 111.5 | C971 R972 I975 L1010 C1011 E1017 F1018 | C971-L1014 HydrophobicContact CB-CD2 3.99Å; C971-L1014 HydrophobicContact CB-CG 4.4Å; R972-L1014 HydrophobicContact CG-CD1 3.87Å; I975-L1014 HydrophobicContact CD1-CD1 3.53Å; I975-L1014 HydrophobicContact CD1-CG 4.36Å; L1010-L1014 HydrophobicContact CD2-CB 4.48Å; L1010-L1014 HydrophobicContact CD2-CD2 3.76Å; L1010-L1014 HydrophobicContact CD2-CG 4.11Å; C1011-L1014 HydrophobicContact CB-CB 4.43Å; C1011-L1014 PolarHBondContact O-N 2.87Å; C1011-L1014 VanDerWaalsContact O-N 3.09Å; L1014-E1017 PolarHBondContact O-N 3.48Å; L1014-F1018 WeakPolarHBondContact O-CB 3.21Å; L1014-F1018 PolarHBondContact O-N 3.43Å |
| 1015 | L | 76.2 | Confident | 74.5 | Confident | 31 Ų | 31 | 60.8 Ų | 60.8 | 16% | 0.162 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 175.2 | -168 | 77.9 | 0 | 0 | 0 | 112 | L1010 C1011 S1013 F1018 E1019 L1046 | L1010-L1015 HydrophobicContact CB-CB 4.43Å; L1010-L1015 HydrophobicContact CB-CD1 3.96Å; L1010-L1015 HydrophobicContact CD1-CD1 3.93Å; C1011-L1015 PolarHBondContact O-N 3.35Å; S1013-L1015 VanDerWaalsContact C-N 3.3Å; S1013-L1015 PolarHBondContact O-N 3.28Å; L1015-F1018 PolarHBondContact O-N 2.89Å; L1015-E1019 WeakPolarHBondContact O-CG 3.34Å; L1015-E1019 PolarHBondContact O-N 3.47Å; L1015-L1046 HydrophobicContact CD1-CD2 3.53Å; L1015-L1046 HydrophobicContact CG-CD2 4.12Å |
| 1016 | S | 75.3 | Confident | 74.9 | Confident | 54 Ų | 54 | 57.4 Ų | 57.4 | 38% | 0.378 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69.1 | -39.1 | 179.6 | 46.6 | 0 | 0 | 0 | 0 | 113.1 | R1012 S1013 F1018 E1019 L1020 | R1012-S1016 PolarHBondContact O-N 3.02Å; R1012-S1016 PolarHBondContact O-OG 3.48Å; S1013-S1016 PolarHBondContact O-N 3.39Å; S1013-S1016 PolarHBondContact O-OG 3.43Å; S1016-F1018 VanDerWaalsContact C-N 3.32Å; S1016-E1019 PolarHBondContact O-N 3.17Å; S1016-L1020 WeakPolarHBondContact O-CG 3.23Å; S1016-L1020 PolarHBondContact O-N 3.36Å |
| 1017 | E | 80.4 | Confident | 75.6 | Confident | 96 Ų | 96 | 62.2 Ų | 62.2 | 45% | 0.449 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66 | -39.9 | 175.4 | -70.3 | 172.1 | -171.6 | 0 | 0 | 110.5 | I975 S1013 L1014 L1020 A1021 | I975-E1017 HydrophobicContact CD1-CB 3.79Å; I975-E1017 HydrophobicContact CG1-CB 4.48Å; S1013-E1017 PolarHBondContact O-N 3.13Å; L1014-E1017 PolarHBondContact O-N 3.48Å; E1017-L1020 PolarHBondContact O-N 3.07Å; E1017-A1021 WeakPolarHBondContact O-CB 3.3Å; E1017-A1021 PolarHBondContact O-N 3.49Å |
| 1018 | F | 85.2 | Confident | 76.6 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 0% | 0.004 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.5 | -45.3 | 174.8 | -172.4 | -107.3 | 0 | 0 | 0 | 112.5 | C971 F974 I975 F1000 V1003 L1014 L1015 S1016 L1020 A1021 V1022 L1046 | C971-F1018 WeakPolarHBondContact SG-CD2 3.24Å; F974-F1018 HydrophobicContact CB-CE2 4.26Å; F974-F1018 AromaticContact CD1-CD2 3.84Å; F974-F1018 HydrophobicContact CD1-CD2 3.84Å; F974-F1018 AromaticContact CD1-CE2 3.54Å; F974-F1018 HydrophobicContact CD1-CE2 3.54Å; F974-F1018 HydrophobicContact CE1-CD2 4.4Å; F974-F1018 AromaticContact CE1-CE2 4Å; F974-F1018 HydrophobicContact CE1-CE2 4Å; F974-F1018 HydrophobicContact CG-CD2 4.46Å; F974-F1018 AromaticContact CG-CE2 3.88Å; F974-F1018 HydrophobicContact CG-CE2 3.88Å; I975-F1018 HydrophobicContact CD1-CB 4.23Å; I975-F1018 HydrophobicContact CG1-CB 4.5Å; I975-F1018 HydrophobicContact CG1-CD2 4.42Å; F1000-F1018 HydrophobicContact CD2-CE1 4.28Å; F1000-F1018 AromaticContact CD2-CZ 3.77Å; F1000-F1018 HydrophobicContact CD2-CZ 3.77Å; F1000-F1018 HydrophobicContact CE2-CE1 4.29Å; F1000-F1018 HydrophobicContact CE2-CZ 4.24Å; V1003-F1018 HydrophobicContact CB-CE1 4.37Å; V1003-F1018 HydrophobicContact CB-CE2 4.1Å; V1003-F1018 HydrophobicContact CB-CZ 3.69Å; V1003-F1018 HydrophobicContact CG1-CD1 4.35Å; V1003-F1018 HydrophobicContact CG1-CD2 4.47Å; V1003-F1018 HydrophobicContact CG1-CE1 3.76Å; V1003-F1018 HydrophobicContact CG1-CE2 3.91Å; V1003-F1018 HydrophobicContact CG1-CZ 3.51Å; V1003-F1018 HydrophobicContact CG2-CE2 4.09Å; V1003-F1018 HydrophobicContact CG2-CZ 4.19Å; L1014-F1018 WeakPolarHBondContact O-CB 3.21Å; L1014-F1018 PolarHBondContact O-N 3.43Å; L1015-F1018 PolarHBondContact O-N 2.89Å; S1016-F1018 VanDerWaalsContact C-N 3.32Å; F1018-L1020 VanDerWaalsContact C-N 3.25Å; F1018-L1020 PolarHBondContact O-N 3.46Å; F1018-A1021 PolarHBondContact O-N 3.43Å; F1018-V1022 HydrophobicContact CD1-CG2 4.08Å; F1018-V1022 HydrophobicContact CD2-CG2 4.48Å; F1018-V1022 HydrophobicContact CE1-CG2 3.77Å; F1018-V1022 HydrophobicContact CE2-CG2 4.2Å; F1018-V1022 HydrophobicContact CG-CG2 4.43Å; F1018-V1022 HydrophobicContact CZ-CG2 3.84Å; F1018-V1022 VanDerWaalsContact O-CG2 3.26Å; F1018-V1022 WeakPolarHBondContact O-CG2 3.32Å; F1018-V1022 PolarHBondContact O-N 3.16Å; F1018-L1046 HydrophobicContact CD1-CD1 4.48Å; F1018-L1046 HydrophobicContact CE1-CD1 4.23Å |
| 1019 | E | 85.4 | Confident | 77.5 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.019 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55.6 | -41.1 | 175.5 | -78.3 | 179.9 | 157.3 | 0 | 0 | 111.6 | L1015 S1016 I1023 L1046 V1049 R1073 | L1015-E1019 WeakPolarHBondContact O-CG 3.34Å; L1015-E1019 PolarHBondContact O-N 3.47Å; S1016-E1019 PolarHBondContact O-N 3.17Å; E1019-I1023 WeakPolarHBondContact O-CD1 3.37Å; E1019-I1023 VanDerWaalsContact O-CG1 3.29Å; E1019-I1023 WeakPolarHBondContact O-CG1 3.33Å; E1019-I1023 PolarHBondContact O-N 2.69Å; E1019-I1023 VanDerWaalsContact O-N 3.12Å; E1019-L1046 HydrophobicContact CG-CB 4.26Å; E1019-L1046 HydrophobicContact CG-CD2 3.61Å; E1019-L1046 HydrophobicContact CG-CG 4.5Å; E1019-L1046 VanDerWaalsContact OE1-CA 3.27Å; E1019-L1046 WeakPolarHBondContact OE1-CA 3.37Å; E1019-V1049 HydrophobicContact CB-CG2 4.2Å; E1019-V1049 HydrophobicContact CG-CG2 4.18Å; E1019-R1073 IonicContact OE1-CZ 3.3Å; E1019-R1073 IonicContact OE1-NH1 2.72Å; E1019-R1073 PolarHBondContact OE1-NH1 2.98Å; E1019-R1073 IonicContact OE1-NH2 2.74Å; E1019-R1073 PolarHBondContact OE1-NH2 3.41Å; E1019-R1073 VanDerWaalsContact OE1-NH2 3.1Å; E1019-R1073 IonicContact OE2-NH2 3.35Å; E1019-R1073 PolarHBondContact OE2-NH2 3.26Å |
| 1020 | L | 85.5 | Confident | 78.4 | Confident | 90 Ų | 90 | 45.9 Ų | 45.9 | 47% | 0.471 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.2 | -46.6 | 177 | -72.9 | 173.3 | 0 | 0 | 0 | 112.1 | S1016 E1017 F1018 V1022 I1023 E1024 K1048 | S1016-L1020 WeakPolarHBondContact O-CG 3.23Å; S1016-L1020 PolarHBondContact O-N 3.36Å; E1017-L1020 PolarHBondContact O-N 3.07Å; F1018-L1020 VanDerWaalsContact C-N 3.25Å; F1018-L1020 PolarHBondContact O-N 3.46Å; L1020-V1022 VanDerWaalsContact C-N 3.26Å; L1020-V1022 PolarHBondContact O-N 3.34Å; L1020-I1023 PolarHBondContact O-N 2.85Å; L1020-I1023 VanDerWaalsContact O-N 3.16Å; L1020-E1024 WeakPolarHBondContact O-CB 3.29Å; L1020-E1024 PolarHBondContact O-N 2.95Å; L1020-K1048 VanDerWaalsContact CD2-NZ 3.32Å |
| 1021 | A | 85.3 | Confident | 79.2 | Confident | 5 Ų | 5 | 44.7 Ų | 44.7 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.2 | -36.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F974 I975 I978 E1017 F1018 E1024 S1025 | F974-A1021 HydrophobicContact CD1-CB 4.1Å; F974-A1021 HydrophobicContact CE1-CB 3.94Å; I975-A1021 HydrophobicContact CG1-CB 4.16Å; I978-A1021 HydrophobicContact CB-CB 4.24Å; I978-A1021 HydrophobicContact CG2-CB 4.24Å; E1017-A1021 WeakPolarHBondContact O-CB 3.3Å; E1017-A1021 PolarHBondContact O-N 3.49Å; F1018-A1021 PolarHBondContact O-N 3.43Å; A1021-E1024 PolarHBondContact O-N 3.1Å; A1021-S1025 WeakPolarHBondContact O-CB 3.36Å; A1021-S1025 PolarHBondContact O-N 2.81Å; A1021-S1025 PolarHBondContact O-OG 3.18Å |
| 1022 | V | 86.8 | Confident | 80 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 174.8 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | F974 F1000 F1018 L1020 E1024 S1025 I1026 L1031 V1049 | F974-V1022 HydrophobicContact CE1-CG2 4Å; F974-V1022 HydrophobicContact CZ-CG2 4.34Å; F1000-V1022 HydrophobicContact CD2-CG1 4.43Å; F1000-V1022 HydrophobicContact CD2-CG2 3.72Å; F1000-V1022 HydrophobicContact CE2-CB 4.49Å; F1000-V1022 HydrophobicContact CE2-CG1 3.88Å; F1000-V1022 HydrophobicContact CE2-CG2 3.68Å; F1018-V1022 HydrophobicContact CD1-CG2 4.08Å; F1018-V1022 HydrophobicContact CD2-CG2 4.48Å; F1018-V1022 HydrophobicContact CE1-CG2 3.77Å; F1018-V1022 HydrophobicContact CE2-CG2 4.2Å; F1018-V1022 HydrophobicContact CG-CG2 4.43Å; F1018-V1022 HydrophobicContact CZ-CG2 3.84Å; F1018-V1022 VanDerWaalsContact O-CG2 3.26Å; F1018-V1022 WeakPolarHBondContact O-CG2 3.32Å; F1018-V1022 PolarHBondContact O-N 3.16Å; L1020-V1022 VanDerWaalsContact C-N 3.26Å; L1020-V1022 PolarHBondContact O-N 3.34Å; V1022-E1024 PolarHBondContact O-N 3.27Å; V1022-S1025 WeakPolarHBondContact CA-OG 3.23Å; V1022-S1025 PolarHBondContact O-N 3.12Å; V1022-S1025 PolarHBondContact O-OG 3.41Å; V1022-I1026 HydrophobicContact CG1-CD1 4.18Å; V1022-I1026 WeakPolarHBondContact O-CG1 3.43Å; V1022-I1026 PolarHBondContact O-N 3.44Å; V1022-L1031 HydrophobicContact CG1-CD1 4.22Å; V1022-V1049 HydrophobicContact CB-CG2 4.24Å; V1022-V1049 HydrophobicContact CG1-CG1 3.89Å; V1022-V1049 HydrophobicContact CG1-CG2 4.06Å |
| 1023 | I | 85.5 | Confident | 81 | Confident | 17 Ų | 17 | 46.9 Ų | 46.9 | 9% | 0.087 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 176.2 | -68.1 | 164.3 | 0 | 0 | 0 | 110.9 | E1019 L1020 S1025 I1026 E1027 K1048 V1049 Y1052 | E1019-I1023 WeakPolarHBondContact O-CD1 3.37Å; E1019-I1023 VanDerWaalsContact O-CG1 3.29Å; E1019-I1023 WeakPolarHBondContact O-CG1 3.33Å; E1019-I1023 PolarHBondContact O-N 2.69Å; E1019-I1023 VanDerWaalsContact O-N 3.12Å; L1020-I1023 PolarHBondContact O-N 2.85Å; L1020-I1023 VanDerWaalsContact O-N 3.16Å; I1023-S1025 VanDerWaalsContact C-N 3.29Å; I1023-S1025 PolarHBondContact O-N 3.36Å; I1023-I1026 WeakPolarHBondContact O-CB 3.37Å; I1023-I1026 PolarHBondContact O-N 3.07Å; I1023-E1027 PolarHBondContact O-N 2.94Å; I1023-K1048 HydrophobicContact CD1-CD 4.37Å; I1023-K1048 HydrophobicContact CD1-CG 4.08Å; I1023-V1049 HydrophobicContact CG1-CG2 4.31Å; I1023-Y1052 HydrophobicContact CG1-CG 4.26Å; I1023-Y1052 HydrophobicContact CG2-CD1 4.2Å; I1023-Y1052 HydrophobicContact CG2-CD2 3.81Å; I1023-Y1052 HydrophobicContact CG2-CE1 4.23Å; I1023-Y1052 HydrophobicContact CG2-CE2 3.79Å; I1023-Y1052 HydrophobicContact CG2-CG 4.01Å |
| 1024 | E | 85.2 | Confident | 81.8 | Confident | 65 Ų | 65 | 46.3 Ų | 46.3 | 30% | 0.304 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.2 | -37.3 | 177.3 | -175.9 | 171 | -153.7 | 0 | 0 | 112.1 | I978 S982 L1020 A1021 V1022 I1026 E1027 S1028 | I978-E1024 HydrophobicContact CG2-CB 4.02Å; I978-E1024 HydrophobicContact CG2-CG 3.86Å; S982-E1024 WeakPolarHBondContact CB-OE1 3.21Å; S982-E1024 PolarHBondContact OG-OE1 2.99Å; L1020-E1024 WeakPolarHBondContact O-CB 3.29Å; L1020-E1024 PolarHBondContact O-N 2.95Å; A1021-E1024 PolarHBondContact O-N 3.1Å; V1022-E1024 PolarHBondContact O-N 3.27Å; E1024-I1026 VanDerWaalsContact C-N 3.32Å; E1024-I1026 PolarHBondContact O-N 3.2Å; E1024-E1027 PolarHBondContact O-N 3.38Å; E1024-S1028 WeakPolarHBondContact O-CB 3.43Å; E1024-S1028 PolarHBondContact O-N 3.11Å; E1024-S1028 PolarHBondContact O-OG 2.66Å |
| 1025 | S | 85.2 | Confident | 82 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.5 | -27.6 | 174.5 | 75.2 | 0 | 0 | 0 | 0 | 113.4 | A1021 V1022 I1023 S1028 L1030 L1031 | A1021-S1025 WeakPolarHBondContact O-CB 3.36Å; A1021-S1025 PolarHBondContact O-N 2.81Å; A1021-S1025 PolarHBondContact O-OG 3.18Å; V1022-S1025 WeakPolarHBondContact CA-OG 3.23Å; V1022-S1025 PolarHBondContact O-N 3.12Å; V1022-S1025 PolarHBondContact O-OG 3.41Å; I1023-S1025 VanDerWaalsContact C-N 3.29Å; I1023-S1025 PolarHBondContact O-N 3.36Å; S1025-S1028 WeakPolarHBondContact CA-OG 3.34Å; S1025-S1028 PolarHBondContact O-OG 3.47Å; S1025-L1030 WeakPolarHBondContact O-CA 3.37Å; S1025-L1030 WeakPolarHBondContact O-CB 3.35Å; S1025-L1030 PolarHBondContact O-N 2.86Å; S1025-L1031 PolarHBondContact O-N 3.25Å; S1025-L1031 WeakPolarHBondContact OG-CD1 3.39Å; S1025-L1031 WeakPolarHBondContact OG-CG 3.37Å |
| 1026 | I | 84.8 | Confident | 82.2 | Confident | 21 Ų | 21 | 57.2 Ų | 57.2 | 11% | 0.108 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -73.9 | -45.6 | 172.1 | -67.9 | 166.6 | 0 | 0 | 0 | 110 | V1022 I1023 E1024 S1028 G1029 L1031 L1034 V1049 Y1052 I1053 | V1022-I1026 HydrophobicContact CG1-CD1 4.18Å; V1022-I1026 WeakPolarHBondContact O-CG1 3.43Å; V1022-I1026 PolarHBondContact O-N 3.44Å; I1023-I1026 WeakPolarHBondContact O-CB 3.37Å; I1023-I1026 PolarHBondContact O-N 3.07Å; E1024-I1026 VanDerWaalsContact C-N 3.32Å; E1024-I1026 PolarHBondContact O-N 3.2Å; I1026-S1028 PolarHBondContact O-N 3.26Å; I1026-G1029 PolarHBondContact O-N 2.95Å; I1026-G1029 VanDerWaalsContact O-N 3.12Å; I1026-L1031 HydrophobicContact CG1-CB 4.06Å; I1026-L1031 HydrophobicContact CG1-CD1 4.41Å; I1026-L1034 HydrophobicContact CG1-CD2 4.43Å; I1026-L1034 HydrophobicContact CG2-CD2 3.52Å; I1026-V1049 HydrophobicContact CD1-CG1 4.26Å; I1026-Y1052 HydrophobicContact CG2-CE1 4.06Å; I1026-I1053 HydrophobicContact CD1-CD1 4.33Å; I1026-I1053 HydrophobicContact CD1-CG1 4.29Å |
| 1027 | E | 84.3 | Confident | 82.6 | Confident | 124 Ų | 124 | 54.7 Ų | 54.7 | 58% | 0.579 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61.3 | -40.8 | 179 | -77.1 | -177.7 | 168.6 | 0 | 0 | 113.1 | I1023 E1024 G1029 Y1052 | I1023-E1027 PolarHBondContact O-N 2.94Å; E1024-E1027 PolarHBondContact O-N 3.38Å; E1027-G1029 PolarHBondContact O-N 2.94Å; E1027-Y1052 HydrophobicContact CG-CE1 4.43Å; E1027-Y1052 WeakPolarHBondContact CG-OH 3.39Å; E1027-Y1052 WeakPolarHBondContact OE1-CE2 3.48Å; E1027-Y1052 PolarHBondContact OE1-OH 2.88Å |
| 1028 | S | 79.2 | Confident | 82.5 | Confident | 72 Ų | 72 | 50.8 Ų | 50.8 | 50% | 0.503 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -4.6 | 177.4 | 54.2 | 0 | 0 | 0 | 0 | 113.9 | E1024 S1025 I1026 L1030 | E1024-S1028 WeakPolarHBondContact O-CB 3.43Å; E1024-S1028 PolarHBondContact O-N 3.11Å; E1024-S1028 PolarHBondContact O-OG 2.66Å; S1025-S1028 WeakPolarHBondContact CA-OG 3.34Å; S1025-S1028 PolarHBondContact O-OG 3.47Å; I1026-S1028 PolarHBondContact O-N 3.26Å; S1028-L1030 VanDerWaalsContact C-N 3.28Å; S1028-L1030 PolarHBondContact O-N 3.19Å; S1028-L1030 WeakPolarHBondContact OG-CD1 3.45Å; S1028-L1030 WeakPolarHBondContact OG-CG 3.46Å |
| 1029 | G | 78.5 | Confident | 82.4 | Confident | 27 Ų | 27 | 54.2 Ų | 54.2 | 28% | 0.278 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 15.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | H993 I1026 E1027 K1032 | H993-G1029 PolarHBondContact CE1-O 3.47Å; H993-G1029 PolarHBondContact ND1-O 3.05Å; I1026-G1029 PolarHBondContact O-N 2.95Å; I1026-G1029 VanDerWaalsContact O-N 3.12Å; E1027-G1029 PolarHBondContact O-N 2.94Å; G1029-K1032 VanDerWaalsContact O-CE 3.26Å; G1029-K1032 WeakPolarHBondContact O-CE 3.36Å |
| 1030 | L | 79.7 | Confident | 82.3 | Confident | 25 Ų | 25 | 55.6 Ų | 55.6 | 13% | 0.131 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -71.6 | -39.5 | 173.9 | -63.7 | 171.8 | 0 | 0 | 0 | 110.7 | I978 L981 I996 S1025 S1028 | I978-L1030 HydrophobicContact CD1-CD1 3.79Å; L981-L1030 HydrophobicContact CD1-CD1 3.98Å; I996-L1030 HydrophobicContact CD1-CB 4.47Å; I996-L1030 HydrophobicContact CD1-CD1 4.1Å; I996-L1030 HydrophobicContact CD1-CD2 4.02Å; I996-L1030 HydrophobicContact CD1-CG 4.44Å; S1025-L1030 WeakPolarHBondContact O-CA 3.37Å; S1025-L1030 WeakPolarHBondContact O-CB 3.35Å; S1025-L1030 PolarHBondContact O-N 2.86Å; S1028-L1030 VanDerWaalsContact C-N 3.28Å; S1028-L1030 PolarHBondContact O-N 3.19Å; S1028-L1030 WeakPolarHBondContact OG-CD1 3.45Å; S1028-L1030 WeakPolarHBondContact OG-CG 3.46Å |
| 1031 | L | 81.6 | Confident | 82.2 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | trans | -103.6 | 107.5 | 172.5 | -66.6 | -174.8 | 0 | 0 | 0 | 111.7 | Y997 F1000 V1022 S1025 I1026 | Y997-L1031 HydrophobicContact CD2-CD2 4.02Å; F1000-L1031 HydrophobicContact CD1-CD1 4.41Å; F1000-L1031 HydrophobicContact CD2-CD1 4.39Å; F1000-L1031 HydrophobicContact CG-CD1 4.21Å; V1022-L1031 HydrophobicContact CG1-CD1 4.22Å; S1025-L1031 PolarHBondContact O-N 3.25Å; S1025-L1031 WeakPolarHBondContact OG-CD1 3.39Å; S1025-L1031 WeakPolarHBondContact OG-CG 3.37Å; I1026-L1031 HydrophobicContact CG1-CB 4.06Å; I1026-L1031 HydrophobicContact CG1-CD1 4.41Å | ||
| 1032 | K | 77.5 | Confident | 82 | Confident | 152 Ų | 152 | 53.2 Ų | 53.2 | 66% | 0.661 | 28% | 0.278 | S | S | * | . | trans | -96.4 | -16.6 | -173.3 | -62.9 | -178.9 | -179.4 | 173.8 | 0 | 115.5 | G1029 L1034 | G1029-K1032 VanDerWaalsContact O-CE 3.26Å; G1029-K1032 WeakPolarHBondContact O-CE 3.36Å; K1032-L1034 PolarHBondContact O-N 2.92Å | ||
| 1033 | H | 82.1 | Confident | 81.5 | Confident | 112 Ų | 112 | 61 Ų | 61 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | trans | -97.1 | 72.3 | -172.6 | -64.7 | -66 | 0 | 0 | 0 | 112.9 | E1035 Q1036 C1037 | H1033-E1035 VanDerWaalsContact C-N 3.34Å; H1033-E1035 PolarHBondContact O-N 2.92Å; H1033-Q1036 HydrophobicContact CB-CB 4.33Å; H1033-Q1036 PolarHBondContact O-N 3.3Å; H1033-C1037 PolarHBondContact O-N 3.2Å; H1033-C1037 PolarHBondContact O-SG 3.41Å; H1033-C1037 VanDerWaalsContact O-SG 3.32Å | ||
| 1034 | L | 80.8 | Confident | 81 | Confident | 65 Ų | 65 | 62.8 Ų | 62.8 | 34% | 0.34 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -56.3 | -38.7 | -171.3 | -61.9 | 178.4 | 0 | 0 | 0 | 114.9 | I1026 K1032 C1037 A1038 I1053 | I1026-L1034 HydrophobicContact CG1-CD2 4.43Å; I1026-L1034 HydrophobicContact CG2-CD2 3.52Å; K1032-L1034 PolarHBondContact O-N 2.92Å; L1034-C1037 PolarHBondContact O-N 3.3Å; L1034-A1038 WeakPolarHBondContact O-CB 3.35Å; L1034-A1038 PolarHBondContact O-N 3.43Å; L1034-I1053 HydrophobicContact CB-CG2 4.32Å |
| 1035 | E | 78 | Confident | 80.5 | Confident | 169 Ų | 169 | 60.3 Ų | 60.3 | 79% | 0.79 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -69.4 | -41.9 | -177.8 | -167.1 | 174.2 | -168 | 0 | 0 | 112.2 | H1033 A1038 T1039 | H1033-E1035 VanDerWaalsContact C-N 3.34Å; H1033-E1035 PolarHBondContact O-N 2.92Å; E1035-A1038 PolarHBondContact O-N 2.98Å; E1035-T1039 PolarHBondContact O-N 2.83Å; E1035-T1039 PolarHBondContact O-OG1 3.47Å |
| 1036 | Q | 80.6 | Confident | 80.4 | Confident | 97 Ų | 97 | 60.3 Ų | 60.3 | 45% | 0.453 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69 | -37.8 | 175.8 | -66.7 | 175.8 | -4.3 | 0 | 0 | 111.4 | H1033 A1038 T1039 L1040 | H1033-Q1036 HydrophobicContact CB-CB 4.33Å; H1033-Q1036 PolarHBondContact O-N 3.3Å; Q1036-A1038 VanDerWaalsContact C-N 3.32Å; Q1036-T1039 WeakPolarHBondContact CA-OG1 3.45Å; Q1036-T1039 PolarHBondContact O-OG1 3.46Å; Q1036-L1040 WeakPolarHBondContact O-CB 3.44Å; Q1036-L1040 WeakPolarHBondContact O-CG 3.09Å; Q1036-L1040 PolarHBondContact O-N 2.93Å; Q1036-L1040 VanDerWaalsContact O-N 3.09Å |
| 1037 | C | 82.3 | Confident | 80.3 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.007 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 172.5 | -69.4 | 0 | 0 | 0 | 0 | 111.3 | H1033 L1034 S1041 I1053 | H1033-C1037 PolarHBondContact O-N 3.2Å; H1033-C1037 PolarHBondContact O-SG 3.41Å; H1033-C1037 VanDerWaalsContact O-SG 3.32Å; L1034-C1037 PolarHBondContact O-N 3.3Å; C1037-S1041 WeakPolarHBondContact O-CB 3.42Å; C1037-S1041 PolarHBondContact O-N 3.5Å; C1037-S1041 PolarHBondContact O-OG 2.99Å; C1037-I1053 HydrophobicContact CB-CD1 4.16Å |
| 1038 | A | 80.3 | Confident | 80.2 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 12% | 0.116 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.7 | -43.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1034 E1035 Q1036 S1041 S1042 I1053 | L1034-A1038 WeakPolarHBondContact O-CB 3.35Å; L1034-A1038 PolarHBondContact O-N 3.43Å; E1035-A1038 PolarHBondContact O-N 2.98Å; Q1036-A1038 VanDerWaalsContact C-N 3.32Å; A1038-S1041 PolarHBondContact O-N 3.27Å; A1038-S1042 WeakPolarHBondContact O-CB 3.35Å; A1038-S1042 PolarHBondContact O-N 2.72Å; A1038-S1042 PolarHBondContact O-OG 3.14Å; A1038-I1053 HydrophobicContact CB-CD1 3.88Å; A1038-I1053 HydrophobicContact CB-CG2 4.1Å |
| 1039 | T | 82.6 | Confident | 80.5 | Confident | 73 Ų | 73 | 56.7 Ų | 56.7 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.2 | -51.9 | 177.8 | 45.4 | 0 | 0 | 0 | 0 | 111.5 | E1035 Q1036 S1041 S1042 E1043 | E1035-T1039 PolarHBondContact O-N 2.83Å; E1035-T1039 PolarHBondContact O-OG1 3.47Å; Q1036-T1039 WeakPolarHBondContact CA-OG1 3.45Å; Q1036-T1039 PolarHBondContact O-OG1 3.46Å; T1039-S1041 VanDerWaalsContact C-N 3.28Å; T1039-S1041 PolarHBondContact O-N 2.85Å; T1039-S1042 PolarHBondContact O-N 2.94Å; T1039-S1042 VanDerWaalsContact O-N 3.13Å; T1039-S1042 PolarHBondContact O-OG 3.04Å; T1039-E1043 PolarHBondContact O-N 3.43Å; T1039-E1043 VanDerWaalsContact O-N 3.12Å |
| 1040 | L | 82.7 | Confident | 80.8 | Confident | 33 Ų | 33 | 55.4 Ų | 55.4 | 17% | 0.173 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 178.6 | -69 | 170.9 | 0 | 0 | 0 | 111.6 | F1000 C1004 Q1036 K1044 | F1000-L1040 HydrophobicContact CE1-CD1 4.34Å; C1004-L1040 HydrophobicContact CB-CB 4.37Å; Q1036-L1040 WeakPolarHBondContact O-CB 3.44Å; Q1036-L1040 WeakPolarHBondContact O-CG 3.09Å; Q1036-L1040 PolarHBondContact O-N 2.93Å; Q1036-L1040 VanDerWaalsContact O-N 3.09Å; L1040-K1044 PolarHBondContact O-N 3.44Å |
| 1041 | S | 83.7 | Confident | 81 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.4 | -39.3 | 176.4 | -66.8 | 0 | 0 | 0 | 0 | 112.5 | C1037 A1038 T1039 G1045 L1046 V1049 | C1037-S1041 WeakPolarHBondContact O-CB 3.42Å; C1037-S1041 PolarHBondContact O-N 3.5Å; C1037-S1041 PolarHBondContact O-OG 2.99Å; A1038-S1041 PolarHBondContact O-N 3.27Å; T1039-S1041 VanDerWaalsContact C-N 3.28Å; T1039-S1041 PolarHBondContact O-N 2.85Å; S1041-G1045 PolarHBondContact O-N 3.25Å; S1041-G1045 VanDerWaalsContact O-N 3.08Å; S1041-L1046 PolarHBondContact O-N 2.93Å; S1041-V1049 WeakPolarHBondContact OG-CG1 3.35Å |
| 1042 | S | 79.9 | Confident | 81.2 | Confident | 46 Ų | 46 | 57.9 Ų | 57.9 | 32% | 0.322 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.2 | -39.8 | -179.7 | 75.4 | 0 | 0 | 0 | 0 | 112.4 | A1038 T1039 G1045 | A1038-S1042 WeakPolarHBondContact O-CB 3.35Å; A1038-S1042 PolarHBondContact O-N 2.72Å; A1038-S1042 PolarHBondContact O-OG 3.14Å; T1039-S1042 PolarHBondContact O-N 2.94Å; T1039-S1042 VanDerWaalsContact O-N 3.13Å; T1039-S1042 PolarHBondContact O-OG 3.04Å; S1042-G1045 PolarHBondContact O-N 3.45Å |
| 1043 | E | 77.6 | Confident | 81.6 | Confident | 162 Ų | 162 | 50.8 Ų | 50.8 | 76% | 0.757 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -67.3 | -37.2 | 178.8 | -70.7 | 177 | 177.3 | 0 | 0 | 111.8 | T1039 G1045 | T1039-E1043 PolarHBondContact O-N 3.43Å; T1039-E1043 VanDerWaalsContact O-N 3.12Å; E1043-G1045 VanDerWaalsContact C-N 3.34Å |
| 1044 | K | 74.6 | Confident | 81.7 | Confident | 55 Ų | 55 | 47.3 Ų | 47.3 | 24% | 0.239 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -83.6 | -8.5 | 177.9 | -157.2 | 66.1 | 177.5 | 176.8 | 0 | 113.6 | S1006 D1008 L1040 L1046 | S1006-K1044 PolarHBondContact O-NZ 2.9Å; D1008-K1044 PolarHBondContact O-NZ 2.82Å; L1040-K1044 PolarHBondContact O-N 3.44Å; K1044-L1046 HydrophobicContact CB-CG 4.39Å |
| 1045 | G | 74.9 | Confident | 81.8 | Confident | 13 Ų | 13 | 50 Ų | 50 | 13% | 0.134 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 26 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | S1041 S1042 E1043 Y1047 R1073 | S1041-G1045 PolarHBondContact O-N 3.25Å; S1041-G1045 VanDerWaalsContact O-N 3.08Å; S1042-G1045 PolarHBondContact O-N 3.45Å; E1043-G1045 VanDerWaalsContact C-N 3.34Å; G1045-Y1047 VanDerWaalsContact C-N 3.26Å; G1045-Y1047 PolarHBondContact O-N 3.47Å; G1045-R1073 PolarHBondContact O-NH1 2.74Å |
| 1046 | L | 82.5 | Confident | 81.9 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | trans | -80.8 | 63.9 | 176.1 | -57.8 | 175.4 | 0 | 0 | 0 | 111.2 | L1015 F1018 E1019 S1041 K1044 K1048 V1049 C1050 | L1015-L1046 HydrophobicContact CD1-CD2 3.53Å; L1015-L1046 HydrophobicContact CG-CD2 4.12Å; F1018-L1046 HydrophobicContact CD1-CD1 4.48Å; F1018-L1046 HydrophobicContact CE1-CD1 4.23Å; E1019-L1046 HydrophobicContact CG-CB 4.26Å; E1019-L1046 HydrophobicContact CG-CD2 3.61Å; E1019-L1046 HydrophobicContact CG-CG 4.5Å; E1019-L1046 VanDerWaalsContact OE1-CA 3.27Å; E1019-L1046 WeakPolarHBondContact OE1-CA 3.37Å; S1041-L1046 PolarHBondContact O-N 2.93Å; K1044-L1046 HydrophobicContact CB-CG 4.39Å; L1046-K1048 VanDerWaalsContact C-N 3.25Å; L1046-K1048 PolarHBondContact O-N 3.29Å; L1046-V1049 HydrophobicContact CB-CB 4.26Å; L1046-V1049 HydrophobicContact CB-CG2 4.11Å; L1046-V1049 PolarHBondContact O-N 3.41Å; L1046-V1049 VanDerWaalsContact O-N 3.12Å; L1046-C1050 PolarHBondContact O-N 3.48Å; L1046-C1050 PolarHBondContact O-SG 2.91Å; L1046-C1050 VanDerWaalsContact O-SG 3.37Å | ||
| 1047 | Y | 83.9 | Confident | 81.9 | Confident | 63 Ų | 63 | 45.2 Ų | 45.2 | 25% | 0.247 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.8 | -29.6 | -170.9 | -55.8 | -49.3 | 0 | 0 | 0 | 114.1 | G1045 V1049 C1050 E1051 Y1066 R1073 | G1045-Y1047 VanDerWaalsContact C-N 3.26Å; G1045-Y1047 PolarHBondContact O-N 3.47Å; Y1047-V1049 VanDerWaalsContact C-N 3.34Å; Y1047-C1050 PolarHBondContact O-N 2.93Å; Y1047-E1051 WeakPolarHBondContact O-CB 3.44Å; Y1047-E1051 PolarHBondContact O-N 3.43Å; Y1047-Y1066 HydrophobicContact CD1-CD1 4.01Å; Y1047-Y1066 HydrophobicContact CD1-CE1 4.36Å; Y1047-R1073 HydrophobicContact CD2-CB 4.42Å; Y1047-R1073 HydrophobicContact CE2-CB 4.38Å |
| 1048 | K | 82.3 | Confident | 81.6 | Confident | 78 Ų | 78 | 48.1 Ų | 48.1 | 34% | 0.339 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68 | -35.5 | 177.8 | -163.5 | 178.9 | -177.6 | -176.5 | 0 | 112.1 | L1020 I1023 L1046 Y1052 | L1020-K1048 VanDerWaalsContact CD2-NZ 3.32Å; I1023-K1048 HydrophobicContact CD1-CD 4.37Å; I1023-K1048 HydrophobicContact CD1-CG 4.08Å; L1046-K1048 VanDerWaalsContact C-N 3.25Å; L1046-K1048 PolarHBondContact O-N 3.29Å; K1048-Y1052 WeakPolarHBondContact O-CB 3.24Å; K1048-Y1052 PolarHBondContact O-N 3.46Å; K1048-Y1052 VanDerWaalsContact O-N 3.11Å |
| 1049 | V | 84.5 | Confident | 81.6 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.8 | -41.6 | 174.1 | -177.9 | 0 | 0 | 0 | 0 | 109.8 | E1019 V1022 I1023 I1026 S1041 L1046 Y1047 Y1052 I1053 | E1019-V1049 HydrophobicContact CB-CG2 4.2Å; E1019-V1049 HydrophobicContact CG-CG2 4.18Å; V1022-V1049 HydrophobicContact CB-CG2 4.24Å; V1022-V1049 HydrophobicContact CG1-CG1 3.89Å; V1022-V1049 HydrophobicContact CG1-CG2 4.06Å; I1023-V1049 HydrophobicContact CG1-CG2 4.31Å; I1026-V1049 HydrophobicContact CD1-CG1 4.26Å; S1041-V1049 WeakPolarHBondContact OG-CG1 3.35Å; L1046-V1049 HydrophobicContact CB-CB 4.26Å; L1046-V1049 HydrophobicContact CB-CG2 4.11Å; L1046-V1049 PolarHBondContact O-N 3.41Å; L1046-V1049 VanDerWaalsContact O-N 3.12Å; Y1047-V1049 VanDerWaalsContact C-N 3.34Å; V1049-Y1052 PolarHBondContact O-N 3.36Å; V1049-I1053 HydrophobicContact CG1-CD1 3.82Å; V1049-I1053 HydrophobicContact CG1-CG1 4.44Å; V1049-I1053 VanDerWaalsContact O-CG1 3.3Å; V1049-I1053 WeakPolarHBondContact O-CG1 3.47Å; V1049-I1053 PolarHBondContact O-N 3.47Å |
| 1050 | C | 84.7 | Confident | 81.3 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 176.6 | -58.4 | 0 | 0 | 0 | 0 | 112 | L1046 Y1047 I1053 H1054 Y1066 | L1046-C1050 PolarHBondContact O-N 3.48Å; L1046-C1050 PolarHBondContact O-SG 2.91Å; L1046-C1050 VanDerWaalsContact O-SG 3.37Å; Y1047-C1050 PolarHBondContact O-N 2.93Å; C1050-I1053 PolarHBondContact O-N 2.9Å; C1050-H1054 PolarHBondContact O-CD2 3.1Å; C1050-H1054 PolarHBondContact O-N 3.16Å; C1050-Y1066 HydrophobicContact CB-CD1 4.07Å; C1050-Y1066 HydrophobicContact CB-CD2 4.27Å; C1050-Y1066 HydrophobicContact CB-CE1 4.12Å; C1050-Y1066 HydrophobicContact CB-CE2 4.35Å; C1050-Y1066 HydrophobicContact CB-CG 4.15Å |
| 1051 | E | 84.2 | Confident | 81.1 | Confident | 28 Ų | 28 | 55.5 Ų | 55.5 | 13% | 0.131 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.8 | -50.9 | 173.5 | -178.7 | -174.6 | -179.6 | 0 | 0 | 110.7 | Y1047 I1053 H1054 Q1055 V1063 Q1067 | Y1047-E1051 WeakPolarHBondContact O-CB 3.44Å; Y1047-E1051 PolarHBondContact O-N 3.43Å; E1051-I1053 PolarHBondContact O-N 3.22Å; E1051-H1054 PolarHBondContact O-N 3.28Å; E1051-Q1055 VanDerWaalsContact O-CB 3.24Å; E1051-Q1055 WeakPolarHBondContact O-CB 3.32Å; E1051-Q1055 PolarHBondContact O-N 3.49Å; E1051-V1063 HydrophobicContact CG-CG1 4.31Å; E1051-Q1067 HydrophobicContact CG-CG 4.22Å; E1051-Q1067 VanDerWaalsContact OE1-CG 3.24Å; E1051-Q1067 WeakPolarHBondContact OE1-CG 3.43Å; E1051-Q1067 PolarHBondContact OE1-NE2 2.83Å |
| 1052 | Y | 85.4 | Confident | 81 | Confident | 53 Ų | 53 | 58 Ų | 58 | 21% | 0.208 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 179.8 | -174.1 | -91.9 | 0 | 0 | 0 | 112.5 | I1023 I1026 E1027 K1048 V1049 Q1055 T1056 | I1023-Y1052 HydrophobicContact CG1-CG 4.26Å; I1023-Y1052 HydrophobicContact CG2-CD1 4.2Å; I1023-Y1052 HydrophobicContact CG2-CD2 3.81Å; I1023-Y1052 HydrophobicContact CG2-CE1 4.23Å; I1023-Y1052 HydrophobicContact CG2-CE2 3.79Å; I1023-Y1052 HydrophobicContact CG2-CG 4.01Å; I1026-Y1052 HydrophobicContact CG2-CE1 4.06Å; E1027-Y1052 HydrophobicContact CG-CE1 4.43Å; E1027-Y1052 WeakPolarHBondContact CG-OH 3.39Å; E1027-Y1052 WeakPolarHBondContact OE1-CE2 3.48Å; E1027-Y1052 PolarHBondContact OE1-OH 2.88Å; K1048-Y1052 WeakPolarHBondContact O-CB 3.24Å; K1048-Y1052 PolarHBondContact O-N 3.46Å; K1048-Y1052 VanDerWaalsContact O-N 3.11Å; V1049-Y1052 PolarHBondContact O-N 3.36Å; Y1052-Q1055 PolarHBondContact O-N 3.17Å; Y1052-T1056 HydrophobicContact CD1-CG2 4.39Å; Y1052-T1056 HydrophobicContact CE1-CG2 3.95Å; Y1052-T1056 WeakPolarHBondContact O-CG2 3.33Å; Y1052-T1056 PolarHBondContact O-N 3.38Å; Y1052-T1056 PolarHBondContact O-OG1 2.91Å |
| 1053 | I | 85.6 | Confident | 81.2 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.9 | -45 | 178.4 | -64.7 | 166.7 | 0 | 0 | 0 | 110.6 | I1026 L1034 C1037 A1038 V1049 C1050 E1051 Q1055 T1056 C1057 | I1026-I1053 HydrophobicContact CD1-CD1 4.33Å; I1026-I1053 HydrophobicContact CD1-CG1 4.29Å; L1034-I1053 HydrophobicContact CB-CG2 4.32Å; C1037-I1053 HydrophobicContact CB-CD1 4.16Å; A1038-I1053 HydrophobicContact CB-CD1 3.88Å; A1038-I1053 HydrophobicContact CB-CG2 4.1Å; V1049-I1053 HydrophobicContact CG1-CD1 3.82Å; V1049-I1053 HydrophobicContact CG1-CG1 4.44Å; V1049-I1053 VanDerWaalsContact O-CG1 3.3Å; V1049-I1053 WeakPolarHBondContact O-CG1 3.47Å; V1049-I1053 PolarHBondContact O-N 3.47Å; C1050-I1053 PolarHBondContact O-N 2.9Å; E1051-I1053 PolarHBondContact O-N 3.22Å; I1053-Q1055 VanDerWaalsContact C-N 3.33Å; I1053-Q1055 PolarHBondContact O-N 3.33Å; I1053-T1056 PolarHBondContact O-N 3.23Å; I1053-T1056 PolarHBondContact O-OG1 2.96Å; I1053-C1057 PolarHBondContact O-N 3.44Å; I1053-C1057 PolarHBondContact O-SG 3.07Å |
| 1054 | H | 83.7 | Confident | 81.5 | Confident | 38 Ų | 38 | 49.2 Ų | 49.2 | 18% | 0.176 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -72.1 | -26.6 | 179.1 | -72.2 | -58.3 | 0 | 0 | 0 | 113.7 | C1050 E1051 C1057 G1058 N1059 L1062 V1063 Y1066 | C1050-H1054 PolarHBondContact O-CD2 3.1Å; C1050-H1054 PolarHBondContact O-N 3.16Å; E1051-H1054 PolarHBondContact O-N 3.28Å; H1054-C1057 CarbonylContact O-C 3.56Å; H1054-C1057 PolarHBondContact O-N 2.59Å; H1054-G1058 PolarHBondContact O-N 3.29Å; H1054-N1059 PolarHBondContact O-N 2.96Å; H1054-N1059 VanDerWaalsContact O-N 3.13Å; H1054-L1062 HydrophobicContact CB-CB 4.5Å; H1054-V1063 HydrophobicContact CB-CG2 4.08Å; H1054-Y1066 AromaticContact CD2-CD2 3.84Å; H1054-Y1066 AromaticContact CD2-CE2 3.51Å; H1054-Y1066 AromaticContact NE2-CE2 3.74Å |
| 1055 | Q | 84.3 | Confident | 82 | Confident | 123 Ų | 123 | 51.2 Ų | 51.2 | 58% | 0.575 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -66.6 | -43 | 171.1 | -173.5 | 175.8 | 6.2 | 0 | 0 | 111.1 | E1051 Y1052 I1053 C1057 G1058 V1063 | E1051-Q1055 VanDerWaalsContact O-CB 3.24Å; E1051-Q1055 WeakPolarHBondContact O-CB 3.32Å; E1051-Q1055 PolarHBondContact O-N 3.49Å; Y1052-Q1055 PolarHBondContact O-N 3.17Å; I1053-Q1055 VanDerWaalsContact C-N 3.33Å; I1053-Q1055 PolarHBondContact O-N 3.33Å; Q1055-C1057 VanDerWaalsContact C-N 3.26Å; Q1055-C1057 PolarHBondContact O-N 2.95Å; Q1055-G1058 PolarHBondContact O-N 3.41Å; Q1055-V1063 HydrophobicContact CB-CG2 4.15Å |
| 1056 | T | 80.3 | Confident | 82.5 | Confident | 78 Ų | 78 | 52.3 Ų | 52.3 | 48% | 0.479 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.6 | -27.9 | 173.9 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | Y1052 I1053 | Y1052-T1056 HydrophobicContact CD1-CG2 4.39Å; Y1052-T1056 HydrophobicContact CE1-CG2 3.95Å; Y1052-T1056 WeakPolarHBondContact O-CG2 3.33Å; Y1052-T1056 PolarHBondContact O-N 3.38Å; Y1052-T1056 PolarHBondContact O-OG1 2.91Å; I1053-T1056 PolarHBondContact O-N 3.23Å; I1053-T1056 PolarHBondContact O-OG1 2.96Å |
| 1057 | C | 80.3 | Confident | 82.7 | Confident | 87 Ų | 87 | 53.7 Ų | 53.7 | 59% | 0.588 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -8 | 173.6 | -65 | 0 | 0 | 0 | 0 | 115 | I1053 H1054 Q1055 | I1053-C1057 PolarHBondContact O-N 3.44Å; I1053-C1057 PolarHBondContact O-SG 3.07Å; H1054-C1057 CarbonylContact O-C 3.56Å; H1054-C1057 PolarHBondContact O-N 2.59Å; Q1055-C1057 VanDerWaalsContact C-N 3.26Å; Q1055-C1057 PolarHBondContact O-N 2.95Å |
| 1058 | G | 76.2 | Confident | 82.7 | Confident | 61 Ų | 61 | 50.8 Ų | 50.8 | 63% | 0.629 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 24.4 | 177 | 0 | 0 | 0 | 0 | 0 | 116.7 | H1054 Q1055 | H1054-G1058 PolarHBondContact O-N 3.29Å; Q1055-G1058 PolarHBondContact O-N 3.41Å |
| 1059 | N | 80 | Confident | 82.8 | Confident | 70 Ų | 70 | 49 Ų | 49 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | trans | -98.6 | 87.8 | -178.9 | -165.7 | -30.7 | 0 | 0 | 0 | 112.4 | H1054 L1061 L1062 V1063 | H1054-N1059 PolarHBondContact O-N 2.96Å; H1054-N1059 VanDerWaalsContact O-N 3.13Å; N1059-L1061 PolarHBondContact O-N 3.24Å; N1059-L1062 HydrophobicContact CB-CB 4.39Å; N1059-L1062 HydrophobicContact CB-CD1 4.48Å; N1059-L1062 WeakPolarHBondContact ND2-CD1 3.2Å; N1059-L1062 PolarHBondContact O-N 3.29Å; N1059-L1062 PolarHBondContact OD1-N 3.1Å; N1059-V1063 WeakPolarHBondContact O-CG2 3.06Å; N1059-V1063 PolarHBondContact O-N 3.47Å | ||
| 1060 | E | 77.1 | Confident | 82.7 | Confident | 160 Ų | 160 | 49.9 Ų | 49.9 | 75% | 0.748 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.3 | -37 | -171.5 | -64.4 | -174.4 | 169.4 | 0 | 0 | 114.5 | V1063 L1064 | E1060-V1063 PolarHBondContact O-N 3.36Å; E1060-L1064 PolarHBondContact O-N 2.8Å |
| 1061 | L | 78.3 | Confident | 82.6 | Confident | 46 Ų | 46 | 49.9 Ų | 49.9 | 24% | 0.241 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70 | -39.2 | 179.8 | -90.4 | 156.2 | 0 | 0 | 0 | 112.4 | N1059 L1064 K1065 N1122 I1129 | N1059-L1061 PolarHBondContact O-N 3.24Å; L1061-L1064 PolarHBondContact O-N 3.08Å; L1061-K1065 PolarHBondContact O-N 3.16Å; L1061-N1122 HydrophobicContact CD1-CB 4.46Å; L1061-N1122 WeakPolarHBondContact CD1-OD1 3.36Å; L1061-I1129 HydrophobicContact CD2-CD1 3.87Å |
| 1062 | L | 80.7 | Confident | 82.6 | Confident | 52 Ų | 52 | 52.4 Ų | 52.4 | 27% | 0.272 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -71.2 | -36.6 | 175 | -73.2 | -179.5 | 0 | 0 | 0 | 111.7 | H1054 N1059 L1064 K1065 Y1066 | H1054-L1062 HydrophobicContact CB-CB 4.5Å; N1059-L1062 HydrophobicContact CB-CB 4.39Å; N1059-L1062 HydrophobicContact CB-CD1 4.48Å; N1059-L1062 WeakPolarHBondContact ND2-CD1 3.2Å; N1059-L1062 PolarHBondContact O-N 3.29Å; N1059-L1062 PolarHBondContact OD1-N 3.1Å; L1062-L1064 VanDerWaalsContact C-N 3.34Å; L1062-L1064 PolarHBondContact O-N 3.2Å; L1062-K1065 HydrophobicContact CD2-CD 4.27Å; L1062-K1065 WeakPolarHBondContact O-CB 3.45Å; L1062-K1065 PolarHBondContact O-N 3.1Å; L1062-Y1066 WeakPolarHBondContact O-CD2 3.5Å; L1062-Y1066 PolarHBondContact O-N 3.21Å |
| 1063 | V | 83.7 | Confident | 82.3 | Confident | 19 Ų | 19 | 53 Ų | 53 | 12% | 0.115 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.9 | -49.8 | 171 | 171.3 | 0 | 0 | 0 | 0 | 109.8 | E1051 H1054 Q1055 N1059 E1060 K1065 Y1066 Q1067 | E1051-V1063 HydrophobicContact CG-CG1 4.31Å; H1054-V1063 HydrophobicContact CB-CG2 4.08Å; Q1055-V1063 HydrophobicContact CB-CG2 4.15Å; N1059-V1063 WeakPolarHBondContact O-CG2 3.06Å; N1059-V1063 PolarHBondContact O-N 3.47Å; E1060-V1063 PolarHBondContact O-N 3.36Å; V1063-K1065 VanDerWaalsContact C-N 3.32Å; V1063-K1065 PolarHBondContact O-N 3.07Å; V1063-Y1066 PolarHBondContact O-N 3.46Å; V1063-Q1067 HydrophobicContact CG1-CG 4.36Å; V1063-Q1067 WeakPolarHBondContact O-CB 3.5Å; V1063-Q1067 VanDerWaalsContact O-CG 3.27Å; V1063-Q1067 WeakPolarHBondContact O-CG 3.5Å; V1063-Q1067 PolarHBondContact O-N 3.38Å |
| 1064 | L | 84.3 | Confident | 81.7 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.4 | -41.9 | 177.2 | -176.8 | 67.7 | 0 | 0 | 0 | 112 | E1060 L1061 L1062 Q1067 I1068 I1101 C1104 L1105 L1126 | E1060-L1064 PolarHBondContact O-N 2.8Å; L1061-L1064 PolarHBondContact O-N 3.08Å; L1062-L1064 VanDerWaalsContact C-N 3.34Å; L1062-L1064 PolarHBondContact O-N 3.2Å; L1064-Q1067 PolarHBondContact O-N 3.16Å; L1064-I1068 HydrophobicContact CD1-CD1 4.38Å; L1064-I1068 HydrophobicContact CG-CD1 4.12Å; L1064-I1068 VanDerWaalsContact O-CG1 3.31Å; L1064-I1068 WeakPolarHBondContact O-CG1 3.37Å; L1064-I1068 PolarHBondContact O-N 3.19Å; L1064-I1101 HydrophobicContact CD1-CG1 4.5Å; L1064-I1101 HydrophobicContact CD1-CG2 4.12Å; L1064-C1104 HydrophobicContact CD1-CB 4.45Å; L1064-L1105 HydrophobicContact CD2-CD2 3.96Å; L1064-L1126 HydrophobicContact CD2-CD1 3.75Å |
| 1065 | K | 84.6 | Confident | 81.2 | Confident | 98 Ų | 98 | 53.4 Ų | 53.4 | 43% | 0.426 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.8 | -50.1 | 176.3 | -178.7 | -177.9 | 178.4 | -179.7 | 0 | 112.1 | L1061 L1062 V1063 Q1067 I1068 L1069 | L1061-K1065 PolarHBondContact O-N 3.16Å; L1062-K1065 HydrophobicContact CD2-CD 4.27Å; L1062-K1065 WeakPolarHBondContact O-CB 3.45Å; L1062-K1065 PolarHBondContact O-N 3.1Å; V1063-K1065 VanDerWaalsContact C-N 3.32Å; V1063-K1065 PolarHBondContact O-N 3.07Å; K1065-Q1067 VanDerWaalsContact C-N 3.34Å; K1065-I1068 PolarHBondContact O-N 2.97Å; K1065-L1069 HydrophobicContact CG-CD1 4.32Å; K1065-L1069 WeakPolarHBondContact O-CG 3.27Å; K1065-L1069 PolarHBondContact O-N 3Å |
| 1066 | Y | 87 | Confident | 80.6 | Confident | 36 Ų | 36 | 52 Ų | 52 | 14% | 0.141 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.5 | -30 | -179.4 | -72.7 | -67.1 | 0 | 0 | 0 | 112.5 | Y1047 C1050 H1054 L1062 V1063 L1069 L1070 | Y1047-Y1066 HydrophobicContact CD1-CD1 4.01Å; Y1047-Y1066 HydrophobicContact CD1-CE1 4.36Å; C1050-Y1066 HydrophobicContact CB-CD1 4.07Å; C1050-Y1066 HydrophobicContact CB-CD2 4.27Å; C1050-Y1066 HydrophobicContact CB-CE1 4.12Å; C1050-Y1066 HydrophobicContact CB-CE2 4.35Å; C1050-Y1066 HydrophobicContact CB-CG 4.15Å; H1054-Y1066 AromaticContact CD2-CD2 3.84Å; H1054-Y1066 AromaticContact CD2-CE2 3.51Å; H1054-Y1066 AromaticContact NE2-CE2 3.74Å; L1062-Y1066 WeakPolarHBondContact O-CD2 3.5Å; L1062-Y1066 PolarHBondContact O-N 3.21Å; V1063-Y1066 PolarHBondContact O-N 3.46Å; Y1066-L1069 HydrophobicContact CD1-CD1 4.1Å; Y1066-L1069 HydrophobicContact CE1-CD1 4.38Å; Y1066-L1069 PolarHBondContact O-N 3.21Å; Y1066-L1070 VanDerWaalsContact O-CB 3.27Å; Y1066-L1070 WeakPolarHBondContact O-CB 3.48Å; Y1066-L1070 PolarHBondContact O-N 3.14Å |
| 1067 | Q | 85.7 | Confident | 79.9 | Confident | 30 Ų | 30 | 49.3 Ų | 49.3 | 14% | 0.14 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 170.3 | -75.8 | -180 | -13.3 | 0 | 0 | 112.1 | E1051 V1063 L1064 K1065 L1070 L1071 L1097 I1101 | E1051-Q1067 HydrophobicContact CG-CG 4.22Å; E1051-Q1067 VanDerWaalsContact OE1-CG 3.24Å; E1051-Q1067 WeakPolarHBondContact OE1-CG 3.43Å; E1051-Q1067 PolarHBondContact OE1-NE2 2.83Å; V1063-Q1067 HydrophobicContact CG1-CG 4.36Å; V1063-Q1067 WeakPolarHBondContact O-CB 3.5Å; V1063-Q1067 VanDerWaalsContact O-CG 3.27Å; V1063-Q1067 WeakPolarHBondContact O-CG 3.5Å; V1063-Q1067 PolarHBondContact O-N 3.38Å; L1064-Q1067 PolarHBondContact O-N 3.16Å; K1065-Q1067 VanDerWaalsContact C-N 3.34Å; Q1067-L1070 PolarHBondContact O-N 3.14Å; Q1067-L1071 WeakPolarHBondContact O-CB 3.48Å; Q1067-L1071 PolarHBondContact O-N 2.94Å; Q1067-L1097 HydrophobicContact CB-CD1 3.93Å; Q1067-L1097 HydrophobicContact CG-CD1 3.83Å; Q1067-I1101 HydrophobicContact CB-CD1 4.01Å; Q1067-I1101 HydrophobicContact CB-CG1 3.95Å |
| 1068 | I | 84.1 | Confident | 79.2 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.4 | -39.8 | 175.8 | -65 | 165.7 | 0 | 0 | 0 | 110.9 | L1064 K1065 L1071 K1072 I1101 I1129 Q1133 V1136 | L1064-I1068 HydrophobicContact CD1-CD1 4.38Å; L1064-I1068 HydrophobicContact CG-CD1 4.12Å; L1064-I1068 VanDerWaalsContact O-CG1 3.31Å; L1064-I1068 WeakPolarHBondContact O-CG1 3.37Å; L1064-I1068 PolarHBondContact O-N 3.19Å; K1065-I1068 PolarHBondContact O-N 2.97Å; I1068-L1071 WeakPolarHBondContact O-CB 3.38Å; I1068-L1071 PolarHBondContact O-N 3.33Å; I1068-K1072 WeakPolarHBondContact O-CB 3.36Å; I1068-K1072 PolarHBondContact O-N 3.29Å; I1068-I1101 HydrophobicContact CG1-CD1 4.22Å; I1068-I1101 HydrophobicContact CG1-CG2 4.05Å; I1068-I1129 HydrophobicContact CD1-CG2 3.68Å; I1068-Q1133 HydrophobicContact CG2-CB 3.71Å; I1068-Q1133 HydrophobicContact CG2-CG 3.71Å; I1068-V1136 HydrophobicContact CG2-CG1 4.36Å |
| 1069 | L | 84.1 | Confident | 78.5 | Confident | 40 Ų | 40 | 47 Ų | 47 | 21% | 0.209 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.5 | -36.7 | 175.3 | -71.3 | 173.1 | 0 | 0 | 0 | 112.8 | K1065 Y1066 K1072 R1073 | K1065-L1069 HydrophobicContact CG-CD1 4.32Å; K1065-L1069 WeakPolarHBondContact O-CG 3.27Å; K1065-L1069 PolarHBondContact O-N 3Å; Y1066-L1069 HydrophobicContact CD1-CD1 4.1Å; Y1066-L1069 HydrophobicContact CE1-CD1 4.38Å; Y1066-L1069 PolarHBondContact O-N 3.21Å; L1069-K1072 WeakPolarHBondContact O-CB 3.26Å; L1069-K1072 PolarHBondContact O-N 3.46Å; L1069-R1073 PolarHBondContact O-N 3.44Å |
| 1070 | L | 83.7 | Confident | 77.4 | Confident | 19 Ų | 19 | 49.3 Ų | 49.3 | 10% | 0.099 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64 | -44.2 | 173 | -176.6 | 66.1 | 0 | 0 | 0 | 110.6 | Y1066 Q1067 K1072 R1073 I1074 L1097 | Y1066-L1070 VanDerWaalsContact O-CB 3.27Å; Y1066-L1070 WeakPolarHBondContact O-CB 3.48Å; Y1066-L1070 PolarHBondContact O-N 3.14Å; Q1067-L1070 PolarHBondContact O-N 3.14Å; L1070-K1072 VanDerWaalsContact C-N 3.35Å; L1070-K1072 PolarHBondContact O-N 3.29Å; L1070-R1073 WeakPolarHBondContact O-CB 3.46Å; L1070-R1073 PolarHBondContact O-N 3.41Å; L1070-I1074 HydrophobicContact CG-CD1 4.34Å; L1070-I1074 WeakPolarHBondContact O-CG1 3.49Å; L1070-I1074 PolarHBondContact O-N 2.9Å; L1070-L1097 HydrophobicContact CB-CD2 4.22Å; L1070-L1097 HydrophobicContact CD2-CD2 3.82Å; L1070-L1097 HydrophobicContact CG-CD2 3.97Å |
| 1071 | L | 82.6 | Confident | 76.3 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.4 | -45.1 | 174.6 | -169 | 67.8 | 0 | 0 | 0 | 111.1 | Q1067 I1068 R1073 I1074 I1075 L1097 A1098 I1101 W1140 | Q1067-L1071 WeakPolarHBondContact O-CB 3.48Å; Q1067-L1071 PolarHBondContact O-N 2.94Å; I1068-L1071 WeakPolarHBondContact O-CB 3.38Å; I1068-L1071 PolarHBondContact O-N 3.33Å; L1071-R1073 VanDerWaalsContact C-N 3.34Å; L1071-R1073 PolarHBondContact O-N 3.36Å; L1071-I1074 PolarHBondContact O-N 3.47Å; L1071-I1074 VanDerWaalsContact O-N 3.16Å; L1071-I1075 HydrophobicContact CG-CD1 4.14Å; L1071-I1075 WeakPolarHBondContact O-CG1 3.27Å; L1071-I1075 PolarHBondContact O-N 2.79Å; L1071-L1097 HydrophobicContact CB-CD2 4.18Å; L1071-L1097 HydrophobicContact CD1-CD2 4.27Å; L1071-A1098 HydrophobicContact CD1-CB 4.16Å; L1071-A1098 HydrophobicContact CD2-CB 4.18Å; L1071-I1101 HydrophobicContact CB-CD1 4.26Å; L1071-I1101 HydrophobicContact CD2-CD1 4.04Å; L1071-W1140 HydrophobicContact CD1-CD2 4.01Å; L1071-W1140 HydrophobicContact CD1-CE3 3.56Å; L1071-W1140 HydrophobicContact CD1-CH2 4.09Å; L1071-W1140 HydrophobicContact CD1-CZ2 4.48Å; L1071-W1140 HydrophobicContact CD1-CZ3 3.57Å; L1071-W1140 HydrophobicContact CD2-CB 4.42Å; L1071-W1140 HydrophobicContact CD2-CD2 4.28Å; L1071-W1140 HydrophobicContact CD2-CE3 4.24Å; L1071-W1140 HydrophobicContact CD2-CG 4.34Å; L1071-W1140 HydrophobicContact CG-CE3 4.04Å; L1071-W1140 HydrophobicContact CG-CZ3 4.43Å |
| 1072 | K | 83.2 | Confident | 75 | Confident | 81 Ų | 81 | 52.3 Ų | 52.3 | 35% | 0.352 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.7 | -43.9 | 174.6 | -172.9 | 177 | -173.7 | 167.1 | 0 | 111.9 | I1068 L1069 L1070 I1074 I1075 L1076 V1136 | I1068-K1072 WeakPolarHBondContact O-CB 3.36Å; I1068-K1072 PolarHBondContact O-N 3.29Å; L1069-K1072 WeakPolarHBondContact O-CB 3.26Å; L1069-K1072 PolarHBondContact O-N 3.46Å; L1070-K1072 VanDerWaalsContact C-N 3.35Å; L1070-K1072 PolarHBondContact O-N 3.29Å; K1072-I1074 VanDerWaalsContact C-N 3.34Å; K1072-I1074 PolarHBondContact O-N 3.08Å; K1072-I1075 PolarHBondContact O-N 3.03Å; K1072-L1076 HydrophobicContact CG-CD1 3.96Å; K1072-L1076 HydrophobicContact CG-CG 4.48Å; K1072-L1076 WeakPolarHBondContact O-CB 3.43Å; K1072-L1076 WeakPolarHBondContact O-CG 3.4Å; K1072-L1076 PolarHBondContact O-N 2.92Å; K1072-V1136 HydrophobicContact CB-CG1 4.08Å; K1072-V1136 HydrophobicContact CB-CG2 4.18Å; K1072-V1136 HydrophobicContact CD-CG2 3.96Å; K1072-V1136 HydrophobicContact CG-CG2 3.93Å |
| 1073 | R | 78.2 | Confident | 73.5 | Confident | 66 Ų | 66 | 51.7 Ų | 51.7 | 25% | 0.249 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 176.3 | -170.7 | 176.7 | 78.5 | 179.5 | 5.7 | 111.3 | E1019 G1045 Y1047 L1069 L1070 L1071 A1077 | E1019-R1073 IonicContact OE1-CZ 3.3Å; E1019-R1073 IonicContact OE1-NH1 2.72Å; E1019-R1073 PolarHBondContact OE1-NH1 2.98Å; E1019-R1073 IonicContact OE1-NH2 2.74Å; E1019-R1073 PolarHBondContact OE1-NH2 3.41Å; E1019-R1073 VanDerWaalsContact OE1-NH2 3.1Å; E1019-R1073 IonicContact OE2-NH2 3.35Å; E1019-R1073 PolarHBondContact OE2-NH2 3.26Å; G1045-R1073 PolarHBondContact O-NH1 2.74Å; Y1047-R1073 HydrophobicContact CD2-CB 4.42Å; Y1047-R1073 HydrophobicContact CE2-CB 4.38Å; L1069-R1073 PolarHBondContact O-N 3.44Å; L1070-R1073 WeakPolarHBondContact O-CB 3.46Å; L1070-R1073 PolarHBondContact O-N 3.41Å; L1071-R1073 VanDerWaalsContact C-N 3.34Å; L1071-R1073 PolarHBondContact O-N 3.36Å; R1073-A1077 VanDerWaalsContact O-CB 3.22Å; R1073-A1077 WeakPolarHBondContact O-CB 3.21Å; R1073-A1077 PolarHBondContact O-N 3.04Å |
| 1074 | I | 74.9 | Confident | 72 | Confident | 39 Ų | 39 | 55.7 Ų | 55.7 | 20% | 0.2 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 178.9 | -66.2 | 164.5 | 0 | 0 | 0 | 110.9 | L1070 L1071 K1072 A1077 K1078 A1094 L1097 | L1070-I1074 HydrophobicContact CG-CD1 4.34Å; L1070-I1074 WeakPolarHBondContact O-CG1 3.49Å; L1070-I1074 PolarHBondContact O-N 2.9Å; L1071-I1074 PolarHBondContact O-N 3.47Å; L1071-I1074 VanDerWaalsContact O-N 3.16Å; K1072-I1074 VanDerWaalsContact C-N 3.34Å; K1072-I1074 PolarHBondContact O-N 3.08Å; I1074-A1077 PolarHBondContact O-N 2.74Å; I1074-K1078 PolarHBondContact O-N 3.25Å; I1074-A1094 HydrophobicContact CD1-CB 4.28Å; I1074-A1094 HydrophobicContact CG2-CB 3.99Å; I1074-L1097 HydrophobicContact CD1-CD2 4.25Å |
| 1075 | I | 72 | Confident | 70.6 | Confident | 12 Ų | 12 | 59.3 Ų | 59.3 | 6% | 0.062 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62 | -52.7 | 177.9 | -64.4 | 163.9 | 0 | 0 | 0 | 110 | L1071 K1072 A1077 K1078 V1079 Y1085 V1136 W1140 | L1071-I1075 HydrophobicContact CG-CD1 4.14Å; L1071-I1075 WeakPolarHBondContact O-CG1 3.27Å; L1071-I1075 PolarHBondContact O-N 2.79Å; K1072-I1075 PolarHBondContact O-N 3.03Å; I1075-A1077 VanDerWaalsContact C-N 3.32Å; I1075-A1077 PolarHBondContact O-N 3.15Å; I1075-K1078 PolarHBondContact O-N 3.04Å; I1075-K1078 VanDerWaalsContact O-N 3.14Å; I1075-V1079 HydrophobicContact CG2-CG2 4.22Å; I1075-V1079 WeakPolarHBondContact O-CG2 3.46Å; I1075-V1079 PolarHBondContact O-N 3.47Å; I1075-Y1085 HydrophobicContact CG2-CE1 4.37Å; I1075-V1136 HydrophobicContact CD1-CG1 3.94Å; I1075-W1140 HydrophobicContact CD1-CE3 3.94Å; I1075-W1140 HydrophobicContact CG1-CE3 3.95Å; I1075-W1140 HydrophobicContact CG1-CZ3 4.06Å |
| 1076 | L | 72.9 | Confident | 69 | Low | 92 Ų | 92 | 58.2 Ų | 58.2 | 48% | 0.482 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.1 | -39.2 | -179.7 | -73.5 | 170.3 | 0 | 0 | 0 | 112.8 | K1072 K1078 V1079 N1080 | K1072-L1076 HydrophobicContact CG-CD1 3.96Å; K1072-L1076 HydrophobicContact CG-CG 4.48Å; K1072-L1076 WeakPolarHBondContact O-CB 3.43Å; K1072-L1076 WeakPolarHBondContact O-CG 3.4Å; K1072-L1076 PolarHBondContact O-N 2.92Å; L1076-K1078 VanDerWaalsContact C-N 3.28Å; L1076-K1078 PolarHBondContact O-N 3.32Å; L1076-V1079 PolarHBondContact O-N 3.44Å; L1076-N1080 PolarHBondContact O-N 3.02Å; L1076-N1080 VanDerWaalsContact O-N 3.1Å |
| 1077 | A | 65.7 | Low | 67.5 | Low | 23 Ų | 23 | 58.3 Ų | 58.3 | 19% | 0.19 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.8 | -35 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1012 R1073 I1074 I1075 | R1012-A1077 PolarHBondContact NH1-O 3.15Å; R1073-A1077 VanDerWaalsContact O-CB 3.22Å; R1073-A1077 WeakPolarHBondContact O-CB 3.21Å; R1073-A1077 PolarHBondContact O-N 3.04Å; I1074-A1077 PolarHBondContact O-N 2.74Å; I1075-A1077 VanDerWaalsContact C-N 3.32Å; I1075-A1077 PolarHBondContact O-N 3.15Å |
| 1078 | K | 64.6 | Low | 66.2 | Low | 39 Ų | 39 | 57 Ų | 57 | 17% | 0.17 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -83.6 | -35.5 | 179.6 | -76.4 | -176.1 | -177 | 175.7 | 0 | 112.9 | I1074 I1075 L1076 N1080 N1081 S1083 S1087 I1088 D1091 | I1074-K1078 PolarHBondContact O-N 3.25Å; I1075-K1078 PolarHBondContact O-N 3.04Å; I1075-K1078 VanDerWaalsContact O-N 3.14Å; L1076-K1078 VanDerWaalsContact C-N 3.28Å; L1076-K1078 PolarHBondContact O-N 3.32Å; K1078-N1080 VanDerWaalsContact C-N 3.32Å; K1078-N1080 PolarHBondContact O-N 2.81Å; K1078-N1081 PolarHBondContact O-N 3.13Å; K1078-N1081 VanDerWaalsContact O-N 3.15Å; K1078-S1083 WeakPolarHBondContact CB-OG 3.47Å; K1078-S1083 PolarHBondContact O-N 3.37Å; K1078-S1083 PolarHBondContact O-OG 3.13Å; K1078-S1087 PolarHBondContact NZ-O 3.24Å; K1078-I1088 HydrophobicContact CB-CD1 3.92Å; K1078-I1088 HydrophobicContact CB-CG1 3.85Å; K1078-I1088 HydrophobicContact CD-CB 4.12Å; K1078-I1088 HydrophobicContact CD-CG1 3.67Å; K1078-I1088 HydrophobicContact CD-CG2 4.18Å; K1078-I1088 HydrophobicContact CG-CG1 4.4Å; K1078-D1091 IonicContact NZ-OD2 3.83Å; K1078-D1091 PolarHBondContact NZ-OD2 2.81Å |
| 1079 | V | 61.9 | Low | 65.3 | Low | 60 Ų | 60 | 60.9 Ų | 60.9 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 173.3 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | I1075 L1076 N1081 N1082 Y1085 | I1075-V1079 HydrophobicContact CG2-CG2 4.22Å; I1075-V1079 WeakPolarHBondContact O-CG2 3.46Å; I1075-V1079 PolarHBondContact O-N 3.47Å; L1076-V1079 PolarHBondContact O-N 3.44Å; V1079-N1081 PolarHBondContact O-N 3.08Å; V1079-N1082 PolarHBondContact O-N 2.74Å; V1079-Y1085 HydrophobicContact CG2-CE2 4.42Å |
| 1080 | N | 57.4 | Low | 64.4 | Low | 119 Ų | 119 | 63.4 Ų | 63.4 | 64% | 0.636 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -14.8 | 177.5 | -76.9 | -11 | 0 | 0 | 0 | 114.6 | L1076 K1078 | L1076-N1080 PolarHBondContact O-N 3.02Å; L1076-N1080 VanDerWaalsContact O-N 3.1Å; K1078-N1080 VanDerWaalsContact C-N 3.32Å; K1078-N1080 PolarHBondContact O-N 2.81Å |
| 1081 | N | 53.7 | Low | 63.6 | Low | 107 Ų | 107 | 65 Ų | 65 | 57% | 0.572 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 15.1 | 179.4 | -75.9 | 10.2 | 0 | 0 | 0 | 113.1 | R1012 K1078 V1079 S1083 | R1012-N1081 PolarHBondContact NH1-ND2 3.34Å; R1012-N1081 PolarHBondContact NH1-OD1 3.3Å; K1078-N1081 PolarHBondContact O-N 3.13Å; K1078-N1081 VanDerWaalsContact O-N 3.15Å; V1079-N1081 PolarHBondContact O-N 3.08Å; N1081-S1083 PolarHBondContact O-N 3.2Å; N1081-S1083 VanDerWaalsContact O-N 3.09Å |
| 1082 | N | 49.5 | Very low | 63.2 | Low | 162 Ų | 162 | 71 Ų | 71 | 87% | 0.866 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 24.9 | -174.5 | -75.4 | -16.3 | 0 | 0 | 0 | 114 | V1079 | V1079-N1082 PolarHBondContact O-N 2.74Š|
| 1083 | S | 49.2 | Very low | 62.6 | Low | 38 Ų | 38 | 72.8 Ų | 72.8 | 27% | 0.266 | 40% | 0.402 | S | S | . | . | trans | -85.1 | 134.5 | 177.6 | 66.9 | 0 | 0 | 0 | 0 | 109.9 | K1078 N1081 S1087 | K1078-S1083 WeakPolarHBondContact CB-OG 3.47Å; K1078-S1083 PolarHBondContact O-N 3.37Å; K1078-S1083 PolarHBondContact O-OG 3.13Å; N1081-S1083 PolarHBondContact O-N 3.2Å; N1081-S1083 VanDerWaalsContact O-N 3.09Å; S1083-S1087 WeakPolarHBondContact CB-OG 3.24Å; S1083-S1087 PolarHBondContact OG-OG 2.96Å | ||
| 1084 | T | 52.2 | Low | 62.5 | Low | 103 Ų | 103 | 69.7 Ų | 69.7 | 63% | 0.632 | 39% | 0.39 | S | S | * | . | trans | -64.6 | 146.4 | 178.6 | 52.1 | 0 | 0 | 0 | 0 | 110 | A1086 S1087 | T1084-A1086 PolarHBondContact O-N 3.42Å; T1084-S1087 WeakPolarHBondContact O-CB 3.41Å; T1084-S1087 PolarHBondContact O-N 3.3Å; T1084-S1087 PolarHBondContact O-OG 3.05Å | ||
| 1085 | Y | 55.7 | Low | 62.8 | Low | 80 Ų | 80 | 70.5 Ų | 70.5 | 31% | 0.314 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -28.4 | 177.3 | -89.1 | -89.4 | 0 | 0 | 0 | 113.1 | I1075 V1079 S1087 I1088 H1089 D1139 R1176 | I1075-Y1085 HydrophobicContact CG2-CE1 4.37Å; V1079-Y1085 HydrophobicContact CG2-CE2 4.42Å; Y1085-S1087 VanDerWaalsContact C-N 3.26Å; Y1085-S1087 PolarHBondContact O-N 2.88Å; Y1085-I1088 HydrophobicContact CD1-CD1 3.83Å; Y1085-I1088 HydrophobicContact CE1-CD1 4.17Å; Y1085-I1088 HydrophobicContact CG-CD1 4.3Å; Y1085-I1088 VanDerWaalsContact O-CB 3.3Å; Y1085-I1088 WeakPolarHBondContact O-CB 3.41Å; Y1085-I1088 PolarHBondContact O-N 3.46Å; Y1085-H1089 PolarHBondContact O-CD2 3.25Å; Y1085-D1139 HydrophobicContact CE1-CB 4.33Å; Y1085-D1139 PolarHBondContact OH-OD2 3.29Å; Y1085-R1176 PolarHBondContact OH-NH2 3.33Å |
| 1086 | A | 51.6 | Low | 63.3 | Low | 75 Ų | 75 | 75.7 Ų | 75.7 | 62% | 0.62 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -58.2 | -32.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | T1084 I1088 | T1084-A1086 PolarHBondContact O-N 3.42Å; A1086-I1088 VanDerWaalsContact C-N 3.27Å; A1086-I1088 PolarHBondContact O-N 2.9Å |
| 1087 | S | 55.6 | Low | 63.8 | Low | 38 Ų | 38 | 72.4 Ų | 72.4 | 27% | 0.266 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -76.2 | -14.1 | 175.5 | 75.3 | 0 | 0 | 0 | 0 | 113.8 | K1078 S1083 T1084 Y1085 S1090 | K1078-S1087 PolarHBondContact NZ-O 3.24Å; S1083-S1087 WeakPolarHBondContact CB-OG 3.24Å; S1083-S1087 PolarHBondContact OG-OG 2.96Å; T1084-S1087 WeakPolarHBondContact O-CB 3.41Å; T1084-S1087 PolarHBondContact O-N 3.3Å; T1084-S1087 PolarHBondContact O-OG 3.05Å; Y1085-S1087 VanDerWaalsContact C-N 3.26Å; Y1085-S1087 PolarHBondContact O-N 2.88Å; S1087-S1090 PolarHBondContact O-OG 2.84Å |
| 1088 | I | 58.8 | Low | 64.7 | Low | 2 Ų | 2 | 71.4 Ų | 71.4 | 1% | 0.01 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -78 | -42.4 | 176.5 | -50.7 | -174.7 | 0 | 0 | 0 | 109.1 | K1078 Y1085 A1086 S1090 D1091 W1140 | K1078-I1088 HydrophobicContact CB-CD1 3.92Å; K1078-I1088 HydrophobicContact CB-CG1 3.85Å; K1078-I1088 HydrophobicContact CD-CB 4.12Å; K1078-I1088 HydrophobicContact CD-CG1 3.67Å; K1078-I1088 HydrophobicContact CD-CG2 4.18Å; K1078-I1088 HydrophobicContact CG-CG1 4.4Å; Y1085-I1088 HydrophobicContact CD1-CD1 3.83Å; Y1085-I1088 HydrophobicContact CE1-CD1 4.17Å; Y1085-I1088 HydrophobicContact CG-CD1 4.3Å; Y1085-I1088 VanDerWaalsContact O-CB 3.3Å; Y1085-I1088 WeakPolarHBondContact O-CB 3.41Å; Y1085-I1088 PolarHBondContact O-N 3.46Å; A1086-I1088 VanDerWaalsContact C-N 3.27Å; A1086-I1088 PolarHBondContact O-N 2.9Å; I1088-S1090 VanDerWaalsContact C-N 3.29Å; I1088-S1090 PolarHBondContact O-N 3.45Å; I1088-D1091 WeakPolarHBondContact O-CB 3.45Å; I1088-D1091 PolarHBondContact O-N 3.14Å; I1088-W1140 HydrophobicContact CG2-CE3 4.31Å; I1088-W1140 HydrophobicContact CG2-CH2 3.77Å; I1088-W1140 HydrophobicContact CG2-CZ3 3.4Å; I1088-W1140 VanDerWaalsContact CG2-CZ3 3.4Å |
| 1089 | H | 65 | Low | 65.6 | Low | 84 Ų | 84 | 71.4 Ų | 71.4 | 39% | 0.389 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -72.2 | -13.8 | 178 | -70 | -67.7 | 0 | 0 | 0 | 115.1 | Y1085 D1091 V1095 W1140 | Y1085-H1089 PolarHBondContact O-CD2 3.25Å; H1089-D1091 VanDerWaalsContact C-N 3.28Å; H1089-V1095 WeakPolarHBondContact O-CG2 3.46Å; H1089-W1140 PolarHBondContact CE1-O 2.89Å |
| 1090 | S | 63.9 | Low | 66.7 | Low | 93 Ų | 93 | 71.6 Ų | 71.6 | 65% | 0.65 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -10.2 | 172.3 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | S1087 I1088 H1092 | S1087-S1090 PolarHBondContact O-OG 2.84Å; I1088-S1090 VanDerWaalsContact C-N 3.29Å; I1088-S1090 PolarHBondContact O-N 3.45Å; S1090-H1092 PolarHBondContact O-N 3.1Å |
| 1091 | D | 66.9 | Low | 68.1 | Low | 52 Ų | 52 | 65.9 Ų | 65.9 | 28% | 0.278 | 37% | 0.371 | S | S | . | . | trans | -83 | 101.8 | -179.1 | -170 | -25.5 | 0 | 0 | 0 | 110.9 | K1078 I1088 H1089 N1093 A1094 V1095 | K1078-D1091 IonicContact NZ-OD2 3.83Å; K1078-D1091 PolarHBondContact NZ-OD2 2.81Å; I1088-D1091 WeakPolarHBondContact O-CB 3.45Å; I1088-D1091 PolarHBondContact O-N 3.14Å; H1089-D1091 VanDerWaalsContact C-N 3.28Å; D1091-N1093 PolarHBondContact O-N 3.22Å; D1091-N1093 VanDerWaalsContact O-N 3.1Å; D1091-N1093 PolarHBondContact OD1-N 2.91Å; D1091-A1094 HydrophobicContact CB-CB 4.07Å; D1091-A1094 PolarHBondContact O-N 2.78Å; D1091-A1094 VanDerWaalsContact O-N 3.08Å; D1091-V1095 WeakPolarHBondContact O-CG2 3.49Å; D1091-V1095 PolarHBondContact O-N 2.86Å | ||
| 1092 | H | 75.1 | Confident | 69.7 | Low | 126 Ų | 126 | 60.9 Ų | 60.9 | 58% | 0.583 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -55.3 | -32.3 | -173.4 | -159.9 | -39.9 | 0 | 0 | 0 | 112.9 | S1090 K1096 | S1090-H1092 PolarHBondContact O-N 3.1Å; H1092-K1096 VanDerWaalsContact CE1-CE 3.42Å; H1092-K1096 WeakPolarHBondContact CE1-CE 3.49Å; H1092-K1096 WeakPolarHBondContact O-CB 3.49Å; H1092-K1096 WeakPolarHBondContact O-CG 3.35Å; H1092-K1096 PolarHBondContact O-N 3.28Å; H1092-K1096 VanDerWaalsContact O-N 3.07Å |
| 1093 | N | 69.8 | Low | 71.4 | Confident | 119 Ų | 119 | 58.5 Ų | 58.5 | 64% | 0.636 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -75 | -42 | -179.5 | -71.4 | -24.2 | 0 | 0 | 0 | 111.3 | D1091 K1096 L1097 | D1091-N1093 PolarHBondContact O-N 3.22Å; D1091-N1093 VanDerWaalsContact O-N 3.1Å; D1091-N1093 PolarHBondContact OD1-N 2.91Å; N1093-K1096 PolarHBondContact O-N 3.47Å; N1093-L1097 WeakPolarHBondContact O-CB 3.39Å; N1093-L1097 PolarHBondContact O-N 3.5Å |
| 1094 | A | 75.3 | Confident | 73 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.3 | -36.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1074 D1091 L1097 A1098 W1140 | I1074-A1094 HydrophobicContact CD1-CB 4.28Å; I1074-A1094 HydrophobicContact CG2-CB 3.99Å; D1091-A1094 HydrophobicContact CB-CB 4.07Å; D1091-A1094 PolarHBondContact O-N 2.78Å; D1091-A1094 VanDerWaalsContact O-N 3.08Å; A1094-L1097 PolarHBondContact O-N 3.37Å; A1094-A1098 WeakPolarHBondContact O-CB 3.47Å; A1094-A1098 PolarHBondContact O-N 3.04Å; A1094-W1140 VanDerWaalsContact C-CZ2 3.47Å; A1094-W1140 HydrophobicContact CB-CH2 3.32Å; A1094-W1140 HydrophobicContact CB-CZ2 4.04Å; A1094-W1140 HydrophobicContact CB-CZ3 4.1Å; A1094-W1140 WeakPolarHBondContact O-CZ2 3.26Å |
| 1095 | V | 82.6 | Confident | 74.5 | Confident | 57 Ų | 57 | 54 Ų | 54 | 35% | 0.345 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 172.9 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | H1089 D1091 S1099 W1140 | H1089-V1095 WeakPolarHBondContact O-CG2 3.46Å; D1091-V1095 WeakPolarHBondContact O-CG2 3.49Å; D1091-V1095 PolarHBondContact O-N 2.86Å; V1095-S1099 WeakPolarHBondContact O-CB 3.32Å; V1095-S1099 PolarHBondContact O-N 3.42Å; V1095-W1140 HydrophobicContact CG2-CZ2 4.09Å |
| 1096 | K | 82.3 | Confident | 75.9 | Confident | 121 Ų | 121 | 53.1 Ų | 53.1 | 53% | 0.526 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.2 | -49.3 | 175.2 | -83.8 | 178.6 | 172.1 | 174.2 | 0 | 111.2 | H1092 N1093 A1098 S1099 C1100 | H1092-K1096 VanDerWaalsContact CE1-CE 3.42Å; H1092-K1096 WeakPolarHBondContact CE1-CE 3.49Å; H1092-K1096 WeakPolarHBondContact O-CB 3.49Å; H1092-K1096 WeakPolarHBondContact O-CG 3.35Å; H1092-K1096 PolarHBondContact O-N 3.28Å; H1092-K1096 VanDerWaalsContact O-N 3.07Å; N1093-K1096 PolarHBondContact O-N 3.47Å; K1096-A1098 PolarHBondContact O-N 3.28Å; K1096-S1099 PolarHBondContact O-N 3.07Å; K1096-C1100 PolarHBondContact O-N 3.02Å; K1096-C1100 PolarHBondContact O-SG 3.02Å; K1096-C1100 VanDerWaalsContact O-SG 3.38Å |
| 1097 | L | 83.8 | Confident | 77.3 | Confident | 23 Ų | 23 | 55 Ų | 55 | 12% | 0.12 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.2 | -51.2 | 178.5 | 178.6 | 64.3 | 0 | 0 | 0 | 111.1 | Q1067 L1070 L1071 I1074 N1093 A1094 S1099 C1100 I1101 | Q1067-L1097 HydrophobicContact CB-CD1 3.93Å; Q1067-L1097 HydrophobicContact CG-CD1 3.83Å; L1070-L1097 HydrophobicContact CB-CD2 4.22Å; L1070-L1097 HydrophobicContact CD2-CD2 3.82Å; L1070-L1097 HydrophobicContact CG-CD2 3.97Å; L1071-L1097 HydrophobicContact CB-CD2 4.18Å; L1071-L1097 HydrophobicContact CD1-CD2 4.27Å; I1074-L1097 HydrophobicContact CD1-CD2 4.25Å; N1093-L1097 WeakPolarHBondContact O-CB 3.39Å; N1093-L1097 PolarHBondContact O-N 3.5Å; A1094-L1097 PolarHBondContact O-N 3.37Å; L1097-S1099 VanDerWaalsContact C-N 3.35Å; L1097-S1099 PolarHBondContact O-N 3.18Å; L1097-C1100 PolarHBondContact O-N 3.13Å; L1097-I1101 HydrophobicContact CD1-CD1 4.36Å; L1097-I1101 HydrophobicContact CG-CD1 4.05Å; L1097-I1101 WeakPolarHBondContact O-CG1 3.47Å; L1097-I1101 PolarHBondContact O-N 3.3Å |
| 1098 | A | 83.6 | Confident | 78.3 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63 | -39.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1071 A1094 K1096 C1100 I1101 F1102 W1140 | L1071-A1098 HydrophobicContact CD1-CB 4.16Å; L1071-A1098 HydrophobicContact CD2-CB 4.18Å; A1094-A1098 WeakPolarHBondContact O-CB 3.47Å; A1094-A1098 PolarHBondContact O-N 3.04Å; K1096-A1098 PolarHBondContact O-N 3.28Å; A1098-C1100 VanDerWaalsContact C-N 3.34Å; A1098-C1100 PolarHBondContact O-N 2.81Å; A1098-I1101 PolarHBondContact O-N 3.33Å; A1098-F1102 VanDerWaalsContact O-CD2 3.23Å; A1098-F1102 WeakPolarHBondContact O-CD2 3.49Å; A1098-F1102 PolarHBondContact O-N 3.44Å; A1098-W1140 HydrophobicContact CB-CD2 3.82Å; A1098-W1140 HydrophobicContact CB-CG 3.85Å; A1098-W1140 HydrophobicContact CB-CZ2 4.01Å |
| 1099 | S | 84.5 | Confident | 79.1 | Confident | 39 Ų | 39 | 55.7 Ų | 55.7 | 27% | 0.273 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 175.5 | -171.6 | 0 | 0 | 0 | 0 | 112 | V1095 K1096 L1097 F1102 Q1103 | V1095-S1099 WeakPolarHBondContact O-CB 3.32Å; V1095-S1099 PolarHBondContact O-N 3.42Å; K1096-S1099 PolarHBondContact O-N 3.07Å; L1097-S1099 VanDerWaalsContact C-N 3.35Å; L1097-S1099 PolarHBondContact O-N 3.18Å; S1099-F1102 PolarHBondContact O-N 2.87Å; S1099-Q1103 WeakPolarHBondContact O-CB 3.15Å; S1099-Q1103 VanDerWaalsContact O-CG 3.28Å; S1099-Q1103 WeakPolarHBondContact O-CG 3.3Å; S1099-Q1103 PolarHBondContact O-N 2.98Å |
| 1100 | C | 84.7 | Confident | 79.4 | Confident | 64 Ų | 64 | 56.4 Ų | 56.4 | 43% | 0.432 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 174.7 | -69.7 | 0 | 0 | 0 | 0 | 111.5 | K1096 L1097 A1098 Q1103 C1104 | K1096-C1100 PolarHBondContact O-N 3.02Å; K1096-C1100 PolarHBondContact O-SG 3.02Å; K1096-C1100 VanDerWaalsContact O-SG 3.38Å; L1097-C1100 PolarHBondContact O-N 3.13Å; A1098-C1100 VanDerWaalsContact C-N 3.34Å; A1098-C1100 PolarHBondContact O-N 2.81Å; C1100-Q1103 PolarHBondContact O-N 3.12Å; C1100-C1104 WeakPolarHBondContact O-CB 3.3Å; C1100-C1104 PolarHBondContact O-N 2.73Å |
| 1101 | I | 86.5 | Confident | 79.7 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.6 | -53.4 | 175.6 | -68.1 | 165.5 | 0 | 0 | 0 | 109.7 | L1064 Q1067 I1068 L1071 L1097 A1098 Q1103 C1104 L1105 L1137 | L1064-I1101 HydrophobicContact CD1-CG1 4.5Å; L1064-I1101 HydrophobicContact CD1-CG2 4.12Å; Q1067-I1101 HydrophobicContact CB-CD1 4.01Å; Q1067-I1101 HydrophobicContact CB-CG1 3.95Å; I1068-I1101 HydrophobicContact CG1-CD1 4.22Å; I1068-I1101 HydrophobicContact CG1-CG2 4.05Å; L1071-I1101 HydrophobicContact CB-CD1 4.26Å; L1071-I1101 HydrophobicContact CD2-CD1 4.04Å; L1097-I1101 HydrophobicContact CD1-CD1 4.36Å; L1097-I1101 HydrophobicContact CG-CD1 4.05Å; L1097-I1101 WeakPolarHBondContact O-CG1 3.47Å; L1097-I1101 PolarHBondContact O-N 3.3Å; A1098-I1101 PolarHBondContact O-N 3.33Å; I1101-Q1103 PolarHBondContact O-N 2.65Å; I1101-C1104 WeakPolarHBondContact O-CB 3.25Å; I1101-C1104 PolarHBondContact O-N 3.47Å; I1101-L1105 HydrophobicContact CG2-CD1 4.01Å; I1101-L1105 HydrophobicContact CG2-CG 4.49Å; I1101-L1105 VanDerWaalsContact O-CG 3.32Å; I1101-L1105 WeakPolarHBondContact O-CG 3.36Å; I1101-L1105 PolarHBondContact O-N 3.03Å; I1101-L1137 HydrophobicContact CG2-CD2 3.98Å |
| 1102 | F | 87 | Confident | 79.8 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 0% | 0.004 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.3 | -39.2 | -179.1 | -79.7 | -68.3 | 0 | 0 | 0 | 113.3 | A1098 S1099 C1104 L1105 E1106 L1137 D1141 R1144 T1145 V1148 | A1098-F1102 VanDerWaalsContact O-CD2 3.23Å; A1098-F1102 WeakPolarHBondContact O-CD2 3.49Å; A1098-F1102 PolarHBondContact O-N 3.44Å; S1099-F1102 PolarHBondContact O-N 2.87Å; F1102-C1104 VanDerWaalsContact C-N 3.32Å; F1102-C1104 PolarHBondContact O-N 3.44Å; F1102-L1105 HydrophobicContact CD1-CD1 4.44Å; F1102-L1105 PolarHBondContact O-N 3.31Å; F1102-E1106 WeakPolarHBondContact O-CB 3.47Å; F1102-E1106 VanDerWaalsContact O-CG 3.24Å; F1102-E1106 WeakPolarHBondContact O-CG 3.45Å; F1102-E1106 PolarHBondContact O-N 3.2Å; F1102-L1137 HydrophobicContact CE1-CD2 4.45Å; F1102-L1137 HydrophobicContact CZ-CB 4.27Å; F1102-L1137 HydrophobicContact CZ-CD2 4.18Å; F1102-D1141 HydrophobicContact CD2-CB 4.37Å; F1102-D1141 HydrophobicContact CE2-CB 3.62Å; F1102-D1141 HydrophobicContact CZ-CB 3.74Å; F1102-R1144 HydrophobicContact CD1-CB 3.61Å; F1102-R1144 HydrophobicContact CE1-CB 3.68Å; F1102-R1144 HydrophobicContact CG-CB 4.17Å; F1102-R1144 HydrophobicContact CZ-CB 4.29Å; F1102-T1145 WeakPolarHBondContact CZ-OG1 3.49Å; F1102-V1148 HydrophobicContact CD1-CG2 4.32Å |
| 1103 | Q | 84.9 | Confident | 79.3 | Confident | 112 Ų | 112 | 56.1 Ų | 56.1 | 52% | 0.523 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 174.6 | -78.2 | 175.4 | -7 | 0 | 0 | 111.9 | S1099 C1100 I1101 H1107 | S1099-Q1103 WeakPolarHBondContact O-CB 3.15Å; S1099-Q1103 VanDerWaalsContact O-CG 3.28Å; S1099-Q1103 WeakPolarHBondContact O-CG 3.3Å; S1099-Q1103 PolarHBondContact O-N 2.98Å; C1100-Q1103 PolarHBondContact O-N 3.12Å; I1101-Q1103 PolarHBondContact O-N 2.65Å; Q1103-H1107 VanDerWaalsContact O-CB 3.23Å; Q1103-H1107 WeakPolarHBondContact O-CB 3.46Å; Q1103-H1107 PolarHBondContact O-N 2.88Å |
| 1104 | C | 83 | Confident | 78.8 | Confident | 46 Ų | 46 | 59.1 Ų | 59.1 | 31% | 0.311 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 175.5 | -173.3 | 0 | 0 | 0 | 0 | 111.1 | L1064 C1100 I1101 F1102 H1107 N1108 | L1064-C1104 HydrophobicContact CD1-CB 4.45Å; C1100-C1104 WeakPolarHBondContact O-CB 3.3Å; C1100-C1104 PolarHBondContact O-N 2.73Å; I1101-C1104 WeakPolarHBondContact O-CB 3.25Å; I1101-C1104 PolarHBondContact O-N 3.47Å; F1102-C1104 VanDerWaalsContact C-N 3.32Å; F1102-C1104 PolarHBondContact O-N 3.44Å; C1104-H1107 PolarHBondContact O-N 3.26Å; C1104-N1108 PolarHBondContact O-N 2.92Å; C1104-N1108 PolarHBondContact O-ND2 3.04Å |
| 1105 | L | 84.8 | Confident | 77.8 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.6 | -48.4 | 176.5 | -68.5 | 175.8 | 0 | 0 | 0 | 112.1 | L1064 I1101 F1102 H1107 N1108 I1109 L1126 C1130 L1137 V1148 | L1064-L1105 HydrophobicContact CD2-CD2 3.96Å; I1101-L1105 HydrophobicContact CG2-CD1 4.01Å; I1101-L1105 HydrophobicContact CG2-CG 4.49Å; I1101-L1105 VanDerWaalsContact O-CG 3.32Å; I1101-L1105 WeakPolarHBondContact O-CG 3.36Å; I1101-L1105 PolarHBondContact O-N 3.03Å; F1102-L1105 HydrophobicContact CD1-CD1 4.44Å; F1102-L1105 PolarHBondContact O-N 3.31Å; L1105-H1107 PolarHBondContact O-N 3.35Å; L1105-N1108 PolarHBondContact O-N 2.95Å; L1105-I1109 WeakPolarHBondContact O-CD1 3.2Å; L1105-I1109 VanDerWaalsContact O-CG1 3.32Å; L1105-I1109 WeakPolarHBondContact O-CG1 3.42Å; L1105-I1109 PolarHBondContact O-N 2.86Å; L1105-L1126 HydrophobicContact CD2-CD1 3.91Å; L1105-C1130 WeakPolarHBondContact CD2-SG 3.42Å; L1105-L1137 HydrophobicContact CD1-CD1 4.13Å; L1105-L1137 HydrophobicContact CD1-CD2 4.25Å; L1105-V1148 HydrophobicContact CB-CG1 4.48Å; L1105-V1148 HydrophobicContact CB-CG2 4.17Å; L1105-V1148 HydrophobicContact CD1-CG1 4.37Å |
| 1106 | E | 83.7 | Confident | 76.2 | Confident | 61 Ų | 61 | 71.2 Ų | 71.2 | 29% | 0.285 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.7 | -38.9 | 179 | -72.6 | 171.7 | -173.5 | 0 | 0 | 112.2 | F1102 I1109 N1110 R1144 | F1102-E1106 WeakPolarHBondContact O-CB 3.47Å; F1102-E1106 VanDerWaalsContact O-CG 3.24Å; F1102-E1106 WeakPolarHBondContact O-CG 3.45Å; F1102-E1106 PolarHBondContact O-N 3.2Å; E1106-I1109 PolarHBondContact O-N 3.37Å; E1106-N1110 WeakPolarHBondContact O-CB 3.47Å; E1106-N1110 PolarHBondContact O-N 3.02Å; E1106-N1110 PolarHBondContact O-ND2 2.82Å; E1106-R1144 IonicContact OE1-NE 3.44Å |
| 1107 | H | 81.5 | Confident | 74.7 | Confident | 114 Ų | 114 | 70.6 Ų | 70.6 | 53% | 0.528 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 174.8 | -177 | 83.6 | 0 | 0 | 0 | 111.4 | Q1103 C1104 L1105 N1110 R1111 | Q1103-H1107 VanDerWaalsContact O-CB 3.23Å; Q1103-H1107 WeakPolarHBondContact O-CB 3.46Å; Q1103-H1107 PolarHBondContact O-N 2.88Å; C1104-H1107 PolarHBondContact O-N 3.26Å; L1105-H1107 PolarHBondContact O-N 3.35Å; H1107-N1110 PolarHBondContact O-N 2.89Å; H1107-R1111 PolarHBondContact O-N 3.32Å |
| 1108 | N | 77.1 | Confident | 73.1 | Confident | 45 Ų | 45 | 76.4 Ų | 76.4 | 24% | 0.241 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 176.7 | -80.2 | -67.9 | 0 | 0 | 0 | 111.5 | C1104 L1105 N1110 R1111 I1112 L1126 | C1104-N1108 PolarHBondContact O-N 2.92Å; C1104-N1108 PolarHBondContact O-ND2 3.04Å; L1105-N1108 PolarHBondContact O-N 2.95Å; N1108-N1110 VanDerWaalsContact C-N 3.34Å; N1108-N1110 PolarHBondContact O-N 3.33Å; N1108-R1111 PolarHBondContact O-N 3.44Å; N1108-I1112 VanDerWaalsContact O-CD1 3.29Å; N1108-I1112 WeakPolarHBondContact O-CD1 3.3Å; N1108-I1112 WeakPolarHBondContact O-CG1 3.32Å; N1108-I1112 PolarHBondContact O-N 3.48Å; N1108-L1126 HydrophobicContact CB-CD2 3.72Å |
| 1109 | I | 74.9 | Confident | 71.7 | Confident | 11 Ų | 11 | 79.6 Ų | 79.6 | 6% | 0.056 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 175.5 | -71.6 | 160.6 | 0 | 0 | 0 | 111.9 | L1105 E1106 R1111 I1112 N1113 V1148 L1152 | L1105-I1109 WeakPolarHBondContact O-CD1 3.2Å; L1105-I1109 VanDerWaalsContact O-CG1 3.32Å; L1105-I1109 WeakPolarHBondContact O-CG1 3.42Å; L1105-I1109 PolarHBondContact O-N 2.86Å; E1106-I1109 PolarHBondContact O-N 3.37Å; I1109-R1111 VanDerWaalsContact C-N 3.32Å; I1109-R1111 PolarHBondContact O-N 3.04Å; I1109-I1112 PolarHBondContact O-N 3.04Å; I1109-N1113 WeakPolarHBondContact CG2-ND2 3.36Å; I1109-N1113 WeakPolarHBondContact O-CB 3.33Å; I1109-N1113 PolarHBondContact O-N 3.16Å; I1109-N1113 PolarHBondContact O-ND2 2.86Å; I1109-V1148 HydrophobicContact CD1-CB 3.85Å; I1109-V1148 HydrophobicContact CD1-CG1 3.75Å; I1109-V1148 HydrophobicContact CD1-CG2 3.82Å; I1109-L1152 HydrophobicContact CD1-CG 4.31Å; I1109-L1152 HydrophobicContact CG1-CD2 4.01Å; I1109-L1152 HydrophobicContact CG1-CG 4.14Å |
| 1110 | N | 71.6 | Confident | 70.7 | Confident | 99 Ų | 99 | 81.5 Ų | 81.5 | 53% | 0.529 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.1 | -31.6 | 178.2 | -77.4 | -35.2 | 0 | 0 | 0 | 112.6 | E1106 H1107 N1108 K1114 | E1106-N1110 WeakPolarHBondContact O-CB 3.47Å; E1106-N1110 PolarHBondContact O-N 3.02Å; E1106-N1110 PolarHBondContact O-ND2 2.82Å; H1107-N1110 PolarHBondContact O-N 2.89Å; N1108-N1110 VanDerWaalsContact C-N 3.34Å; N1108-N1110 PolarHBondContact O-N 3.33Å; N1110-K1114 WeakPolarHBondContact O-CG 3.41Å; N1110-K1114 PolarHBondContact O-N 3.23Å |
| 1111 | R | 70.5 | Confident | 69.8 | Low | 146 Ų | 146 | 85.9 Ų | 85.9 | 55% | 0.551 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66 | -49.4 | 168.8 | -78.9 | -177.8 | 84.6 | 174 | 4.1 | 110.8 | H1107 N1108 I1109 N1113 K1114 E1115 | H1107-R1111 PolarHBondContact O-N 3.32Å; N1108-R1111 PolarHBondContact O-N 3.44Å; I1109-R1111 VanDerWaalsContact C-N 3.32Å; I1109-R1111 PolarHBondContact O-N 3.04Å; R1111-N1113 VanDerWaalsContact C-N 3.32Å; R1111-N1113 PolarHBondContact O-N 3.42Å; R1111-K1114 PolarHBondContact O-N 3.39Å; R1111-K1114 VanDerWaalsContact O-N 3.07Å; R1111-E1115 PolarHBondContact O-N 3.27Å; R1111-E1115 VanDerWaalsContact O-N 3.11Å |
| 1112 | I | 68.9 | Low | 69 | Low | 46 Ų | 46 | 90.2 Ų | 90.2 | 24% | 0.236 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -58.6 | -41.1 | 179.8 | -64.6 | 155.4 | 0 | 0 | 0 | 111.7 | N1108 I1109 K1114 E1115 Y1123 L1126 L1152 | N1108-I1112 VanDerWaalsContact O-CD1 3.29Å; N1108-I1112 WeakPolarHBondContact O-CD1 3.3Å; N1108-I1112 WeakPolarHBondContact O-CG1 3.32Å; N1108-I1112 PolarHBondContact O-N 3.48Å; I1109-I1112 PolarHBondContact O-N 3.04Å; I1112-K1114 VanDerWaalsContact C-N 3.28Å; I1112-K1114 PolarHBondContact O-N 2.99Å; I1112-E1115 CarbonylContact O-C 3.55Å; I1112-E1115 PolarHBondContact O-N 3.17Å; I1112-Y1123 HydrophobicContact CD1-CD2 3.55Å; I1112-Y1123 HydrophobicContact CD1-CE2 4.03Å; I1112-Y1123 HydrophobicContact CG1-CD2 3.95Å; I1112-Y1123 HydrophobicContact CG2-CD2 3.9Å; I1112-Y1123 HydrophobicContact CG2-CE2 3.79Å; I1112-L1126 HydrophobicContact CD1-CD2 4.13Å; I1112-L1152 HydrophobicContact CD1-CD2 4.23Å |
| 1113 | N | 64.7 | Low | 68.4 | Low | 72 Ų | 72 | 92.3 Ų | 92.3 | 39% | 0.385 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -72.1 | -17.5 | 179.3 | -79.2 | -33.9 | 0 | 0 | 0 | 114.1 | I1109 R1111 | I1109-N1113 WeakPolarHBondContact CG2-ND2 3.36Å; I1109-N1113 WeakPolarHBondContact O-CB 3.33Å; I1109-N1113 PolarHBondContact O-N 3.16Å; I1109-N1113 PolarHBondContact O-ND2 2.86Å; R1111-N1113 VanDerWaalsContact C-N 3.32Å; R1111-N1113 PolarHBondContact O-N 3.42Å |
| 1114 | K | 59.4 | Low | 68.1 | Low | 182 Ų | 182 | 91.5 Ų | 91.5 | 79% | 0.791 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -90.6 | -30 | 176.2 | -76.3 | -179.6 | 178 | -176.3 | 0 | 112.6 | N1110 R1111 I1112 | N1110-K1114 WeakPolarHBondContact O-CG 3.41Å; N1110-K1114 PolarHBondContact O-N 3.23Å; R1111-K1114 PolarHBondContact O-N 3.39Å; R1111-K1114 VanDerWaalsContact O-N 3.07Å; I1112-K1114 VanDerWaalsContact C-N 3.28Å; I1112-K1114 PolarHBondContact O-N 2.99Å |
| 1115 | E | 53.6 | Low | 67.8 | Low | 110 Ų | 110 | 93 Ų | 93 | 51% | 0.514 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -113.7 | 96.7 | 179.9 | -67.1 | 175.1 | 178.9 | 0 | 0 | 108 | R1111 I1112 L1117 | R1111-E1115 PolarHBondContact O-N 3.27Å; R1111-E1115 VanDerWaalsContact O-N 3.11Å; I1112-E1115 CarbonylContact O-C 3.55Å; I1112-E1115 PolarHBondContact O-N 3.17Å; E1115-L1117 HydrophobicContact CB-CD1 4.15Å; E1115-L1117 PolarHBondContact O-N 2.78Å |
| 1116 | F | 48.9 | Very low | 67.7 | Low | 202 Ų | 202 | 93.3 Ų | 93.3 | 89% | 0.886 | 47% | 0.472 | S | S | * | . | trans | -60.9 | 81.6 | 173.9 | -95 | -90.1 | 0 | 0 | 0 | 110.3 | ||||
| 1117 | L | 51.5 | Low | 67.6 | Low | 107 Ų | 107 | 92.6 Ų | 92.6 | 56% | 0.56 | 47% | 0.468 | S | S | * | . | trans | -124.3 | 83.3 | 179.7 | -78.5 | 167.4 | 0 | 0 | 0 | 109.1 | E1115 G1119 | E1115-L1117 HydrophobicContact CB-CD1 4.15Å; E1115-L1117 PolarHBondContact O-N 2.78Å; L1117-G1119 PolarHBondContact O-N 2.84Å | ||
| 1118 | V | 49.6 | Very low | 67.7 | Low | 146 Ų | 146 | 90.3 Ų | 90.3 | 89% | 0.885 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | 103.3 | 161.3 | 179.1 | 0 | 0 | 0 | 0 | 106.6 | ||
| 1119 | G | 54.7 | Low | 68 | Low | 68 Ų | 68 | 89.4 Ų | 89.4 | 70% | 0.701 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 143.1 | 9.9 | 174 | 0 | 0 | 0 | 0 | 0 | 118.7 | L1117 | L1117-G1119 PolarHBondContact O-N 2.84Š|
| 1120 | D | 63.2 | Low | 68.5 | Low | 78 Ų | 78 | 89 Ų | 89 | 42% | 0.417 | 45% | 0.452 | S | S | . | . | trans | -88.2 | 126.7 | 177.6 | -163.9 | -21.2 | 0 | 0 | 0 | 111.2 | N1122 Y1123 D1124 | D1120-N1122 PolarHBondContact O-N 3.01Å; D1120-N1122 VanDerWaalsContact O-N 3.13Å; D1120-N1122 PolarHBondContact OD1-N 2.8Å; D1120-Y1123 WeakPolarHBondContact O-CB 3.14Å; D1120-Y1123 PolarHBondContact O-N 3.11Å; D1120-D1124 PolarHBondContact O-N 3.44Å | ||
| 1121 | E | 65.8 | Low | 69.1 | Low | 157 Ų | 157 | 84.2 Ų | 84.2 | 73% | 0.734 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -56.1 | -30.5 | 178.9 | -72.1 | -172.1 | 168.1 | 0 | 0 | 112.1 | Y1123 N1125 | E1121-Y1123 VanDerWaalsContact C-N 3.35Å; E1121-N1125 WeakPolarHBondContact O-CB 3.4Å; E1121-N1125 PolarHBondContact O-N 3.26Å; E1121-N1125 PolarHBondContact O-ND2 2.69Å |
| 1122 | N | 70 | Confident | 69.7 | Low | 91 Ų | 91 | 82.3 Ų | 82.3 | 49% | 0.487 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.4 | -34 | 176.3 | -68.9 | -43.8 | 0 | 0 | 0 | 112.4 | L1061 D1120 L1126 | L1061-N1122 HydrophobicContact CD1-CB 4.46Å; L1061-N1122 WeakPolarHBondContact CD1-OD1 3.36Å; D1120-N1122 PolarHBondContact O-N 3.01Å; D1120-N1122 VanDerWaalsContact O-N 3.13Å; D1120-N1122 PolarHBondContact OD1-N 2.8Å; N1122-L1126 VanDerWaalsContact O-CB 3.25Å; N1122-L1126 WeakPolarHBondContact O-CB 3.4Å; N1122-L1126 PolarHBondContact O-N 2.96Å |
| 1123 | Y | 74.4 | Confident | 70.5 | Confident | 44 Ų | 44 | 81.7 Ų | 81.7 | 17% | 0.173 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.7 | -44.1 | 176.7 | 170.9 | -95.7 | 0 | 0 | 0 | 111.2 | I1112 D1120 E1121 L1126 K1127 L1152 | I1112-Y1123 HydrophobicContact CD1-CD2 3.55Å; I1112-Y1123 HydrophobicContact CD1-CE2 4.03Å; I1112-Y1123 HydrophobicContact CG1-CD2 3.95Å; I1112-Y1123 HydrophobicContact CG2-CD2 3.9Å; I1112-Y1123 HydrophobicContact CG2-CE2 3.79Å; D1120-Y1123 WeakPolarHBondContact O-CB 3.14Å; D1120-Y1123 PolarHBondContact O-N 3.11Å; E1121-Y1123 VanDerWaalsContact C-N 3.35Å; Y1123-L1126 PolarHBondContact O-N 2.98Å; Y1123-K1127 HydrophobicContact CE1-CD 4.18Å; Y1123-K1127 VanDerWaalsContact O-CB 3.29Å; Y1123-K1127 WeakPolarHBondContact O-CB 3.36Å; Y1123-K1127 PolarHBondContact O-N 2.92Å; Y1123-L1152 HydrophobicContact CE2-CD2 4Å; Y1123-L1152 PolarHBondContact OH-O 3.47Å |
| 1124 | D | 77.5 | Confident | 71.4 | Confident | 96 Ų | 96 | 78.3 Ų | 78.3 | 51% | 0.513 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 178.5 | -75.3 | -27.1 | 0 | 0 | 0 | 111.8 | D1120 K1127 L1128 | D1120-D1124 PolarHBondContact O-N 3.44Å; D1124-K1127 PolarHBondContact O-N 3.24Å; D1124-L1128 WeakPolarHBondContact O-CB 3.44Å; D1124-L1128 PolarHBondContact O-N 3.28Å |
| 1125 | N | 78.5 | Confident | 72.5 | Confident | 76 Ų | 76 | 72.1 Ų | 72.1 | 41% | 0.406 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 174.1 | -76 | -39.2 | 0 | 0 | 0 | 112.2 | E1121 L1128 I1129 | E1121-N1125 WeakPolarHBondContact O-CB 3.4Å; E1121-N1125 PolarHBondContact O-N 3.26Å; E1121-N1125 PolarHBondContact O-ND2 2.69Å; N1125-L1128 PolarHBondContact O-N 2.8Å; N1125-I1129 VanDerWaalsContact O-CG1 3.25Å; N1125-I1129 WeakPolarHBondContact O-CG1 3.5Å; N1125-I1129 PolarHBondContact O-N 3.31Å |
| 1126 | L | 82.2 | Confident | 73.9 | Confident | 8 Ų | 8 | 67.5 Ų | 67.5 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 175.9 | -173.1 | 73.1 | 0 | 0 | 0 | 111.3 | L1064 L1105 N1108 I1112 N1122 Y1123 I1129 C1130 L1152 | L1064-L1126 HydrophobicContact CD2-CD1 3.75Å; L1105-L1126 HydrophobicContact CD2-CD1 3.91Å; N1108-L1126 HydrophobicContact CB-CD2 3.72Å; I1112-L1126 HydrophobicContact CD1-CD2 4.13Å; N1122-L1126 VanDerWaalsContact O-CB 3.25Å; N1122-L1126 WeakPolarHBondContact O-CB 3.4Å; N1122-L1126 PolarHBondContact O-N 2.96Å; Y1123-L1126 PolarHBondContact O-N 2.98Å; L1126-I1129 PolarHBondContact O-N 3.46Å; L1126-C1130 WeakPolarHBondContact O-CB 3.32Å; L1126-C1130 PolarHBondContact O-N 3.19Å; L1126-C1130 PolarHBondContact O-SG 2.91Å; L1126-L1152 HydrophobicContact CD2-CD2 4.42Å |
| 1127 | K | 81.7 | Confident | 75.7 | Confident | 46 Ų | 46 | 58 Ų | 58 | 20% | 0.2 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 176 | -171.4 | 175.8 | 179.4 | 177.3 | 0 | 110.4 | Y1123 D1124 C1130 F1131 | Y1123-K1127 HydrophobicContact CE1-CD 4.18Å; Y1123-K1127 VanDerWaalsContact O-CB 3.29Å; Y1123-K1127 WeakPolarHBondContact O-CB 3.36Å; Y1123-K1127 PolarHBondContact O-N 2.92Å; D1124-K1127 PolarHBondContact O-N 3.24Å; K1127-C1130 PolarHBondContact O-N 3.45Å; K1127-F1131 HydrophobicContact CG-CD2 3.74Å; K1127-F1131 HydrophobicContact CG-CE2 3.84Å; K1127-F1131 VanDerWaalsContact O-CD2 3.31Å; K1127-F1131 WeakPolarHBondContact O-CD2 3.45Å; K1127-F1131 PolarHBondContact O-N 3.43Å |
| 1128 | L | 83.5 | Confident | 77.2 | Confident | 66 Ų | 66 | 52.9 Ų | 52.9 | 35% | 0.346 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.5 | -49.8 | 176.2 | -174.3 | 69.1 | 0 | 0 | 0 | 111.7 | D1124 N1125 C1130 F1131 E1132 Y1167 | D1124-L1128 WeakPolarHBondContact O-CB 3.44Å; D1124-L1128 PolarHBondContact O-N 3.28Å; N1125-L1128 PolarHBondContact O-N 2.8Å; L1128-C1130 VanDerWaalsContact C-N 3.35Å; L1128-C1130 PolarHBondContact O-N 2.82Å; L1128-F1131 PolarHBondContact O-N 3.4Å; L1128-E1132 HydrophobicContact CD1-CG 4.23Å; L1128-E1132 HydrophobicContact CG-CG 4.4Å; L1128-E1132 WeakPolarHBondContact O-CB 3.19Å; L1128-E1132 WeakPolarHBondContact O-CG 2.95Å; L1128-E1132 PolarHBondContact O-N 2.77Å; L1128-Y1167 HydrophobicContact CD1-CD1 3.98Å; L1128-Y1167 HydrophobicContact CD1-CE1 3.63Å |
| 1129 | I | 83.1 | Confident | 78.7 | Confident | 27 Ų | 27 | 47 Ų | 47 | 14% | 0.138 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.1 | -45 | 178.7 | -68.2 | 165.1 | 0 | 0 | 0 | 111 | L1061 I1068 N1125 L1126 Q1133 | L1061-I1129 HydrophobicContact CD2-CD1 3.87Å; I1068-I1129 HydrophobicContact CD1-CG2 3.68Å; N1125-I1129 VanDerWaalsContact O-CG1 3.25Å; N1125-I1129 WeakPolarHBondContact O-CG1 3.5Å; N1125-I1129 PolarHBondContact O-N 3.31Å; L1126-I1129 PolarHBondContact O-N 3.46Å; I1129-Q1133 WeakPolarHBondContact O-CB 3.28Å; I1129-Q1133 WeakPolarHBondContact O-CG 3.43Å; I1129-Q1133 PolarHBondContact O-N 3.46Å |
| 1130 | C | 84.6 | Confident | 80.1 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.4 | -40.2 | -178.1 | -66.8 | 0 | 0 | 0 | 0 | 112.9 | L1105 L1126 K1127 L1128 Q1133 A1134 L1152 | L1105-C1130 WeakPolarHBondContact CD2-SG 3.42Å; L1126-C1130 WeakPolarHBondContact O-CB 3.32Å; L1126-C1130 PolarHBondContact O-N 3.19Å; L1126-C1130 PolarHBondContact O-SG 2.91Å; K1127-C1130 PolarHBondContact O-N 3.45Å; L1128-C1130 VanDerWaalsContact C-N 3.35Å; L1128-C1130 PolarHBondContact O-N 2.82Å; C1130-Q1133 CarbonylContact O-C 3.59Å; C1130-A1134 VanDerWaalsContact O-CA 3.3Å; C1130-A1134 WeakPolarHBondContact O-CA 3.49Å; C1130-A1134 WeakPolarHBondContact O-CB 3.47Å; C1130-A1134 PolarHBondContact O-N 3.01Å; C1130-L1152 HydrophobicContact CB-CD1 3.91Å |
| 1131 | F | 85.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -76.1 | -39.7 | 178.8 | -84.4 | -84.2 | 0 | 0 | 0 | 112.3 | K1127 L1128 Q1133 A1134 L1149 T1153 L1163 V1164 Y1167 | K1127-F1131 HydrophobicContact CG-CD2 3.74Å; K1127-F1131 HydrophobicContact CG-CE2 3.84Å; K1127-F1131 VanDerWaalsContact O-CD2 3.31Å; K1127-F1131 WeakPolarHBondContact O-CD2 3.45Å; K1127-F1131 PolarHBondContact O-N 3.43Å; L1128-F1131 PolarHBondContact O-N 3.4Å; F1131-Q1133 VanDerWaalsContact C-N 3.27Å; F1131-Q1133 PolarHBondContact O-N 2.9Å; F1131-A1134 WeakPolarHBondContact O-CB 3.47Å; F1131-A1134 PolarHBondContact O-N 3.49Å; F1131-L1149 HydrophobicContact CD1-CD2 4.19Å; F1131-L1149 HydrophobicContact CD2-CD2 4.35Å; F1131-L1149 HydrophobicContact CE1-CD2 3.9Å; F1131-L1149 HydrophobicContact CE2-CD2 4.07Å; F1131-L1149 HydrophobicContact CG-CD2 4.41Å; F1131-L1149 HydrophobicContact CZ-CD2 3.83Å; F1131-T1153 HydrophobicContact CE2-CG2 4.08Å; F1131-T1153 HydrophobicContact CZ-CG2 3.74Å; F1131-L1163 HydrophobicContact CD1-CB 4.4Å; F1131-L1163 HydrophobicContact CE1-CB 3.64Å; F1131-L1163 HydrophobicContact CZ-CB 4.11Å; F1131-L1163 HydrophobicContact CZ-CD1 4.33Å; F1131-V1164 HydrophobicContact CD1-CG2 4Å; F1131-V1164 HydrophobicContact CE1-CG2 3.83Å; F1131-Y1167 HydrophobicContact CB-CD1 4.23Å; F1131-Y1167 HydrophobicContact CB-CD2 3.67Å; F1131-Y1167 HydrophobicContact CB-CE2 4.22Å; F1131-Y1167 HydrophobicContact CB-CG 3.69Å; F1131-Y1167 AromaticContact CD1-CD2 3.99Å; F1131-Y1167 HydrophobicContact CD1-CD2 3.99Å; F1131-Y1167 HydrophobicContact CD1-CE2 4.49Å; F1131-Y1167 AromaticContact CG-CD2 3.91Å; F1131-Y1167 HydrophobicContact CG-CD2 3.91Å; F1131-Y1167 HydrophobicContact CG-CE2 4.22Å; F1131-Y1167 HydrophobicContact CG-CG 4.43Å |
| 1132 | E | 81.7 | Confident | 82.1 | Confident | 106 Ų | 106 | 36.9 Ų | 36.9 | 50% | 0.495 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.9 | -32.5 | 174.5 | -78.3 | -168.4 | 159.5 | 0 | 0 | 112.5 | L1128 | L1128-E1132 HydrophobicContact CD1-CG 4.23Å; L1128-E1132 HydrophobicContact CG-CG 4.4Å; L1128-E1132 WeakPolarHBondContact O-CB 3.19Å; L1128-E1132 WeakPolarHBondContact O-CG 2.95Å; L1128-E1132 PolarHBondContact O-N 2.77Å |
| 1133 | Q | 86 | Confident | 82.8 | Confident | 33 Ų | 33 | 36.1 Ų | 36.1 | 15% | 0.154 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 18 | 179.4 | -52.6 | -57.4 | -45.1 | 0 | 0 | 113 | I1068 I1129 C1130 F1131 E1135 V1136 L1137 | I1068-Q1133 HydrophobicContact CG2-CB 3.71Å; I1068-Q1133 HydrophobicContact CG2-CG 3.71Å; I1129-Q1133 WeakPolarHBondContact O-CB 3.28Å; I1129-Q1133 WeakPolarHBondContact O-CG 3.43Å; I1129-Q1133 PolarHBondContact O-N 3.46Å; C1130-Q1133 CarbonylContact O-C 3.59Å; F1131-Q1133 VanDerWaalsContact C-N 3.27Å; F1131-Q1133 PolarHBondContact O-N 2.9Å; Q1133-E1135 VanDerWaalsContact C-N 3.25Å; Q1133-E1135 PolarHBondContact O-N 3.26Å; Q1133-V1136 PolarHBondContact O-N 3.44Å; Q1133-V1136 VanDerWaalsContact O-N 3.08Å; Q1133-L1137 PolarHBondContact O-N 2.94Å |
| 1134 | A | 83.6 | Confident | 83.4 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.7 | -35.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | C1130 F1131 A1138 T1177 | C1130-A1134 VanDerWaalsContact O-CA 3.3Å; C1130-A1134 WeakPolarHBondContact O-CA 3.49Å; C1130-A1134 WeakPolarHBondContact O-CB 3.47Å; C1130-A1134 PolarHBondContact O-N 3.01Å; F1131-A1134 WeakPolarHBondContact O-CB 3.47Å; F1131-A1134 PolarHBondContact O-N 3.49Å; A1134-A1138 WeakPolarHBondContact O-CB 3.44Å; A1134-A1138 PolarHBondContact O-N 3.2Å; A1134-T1177 HydrophobicContact CB-CG2 4.05Å |
| 1135 | E | 82.3 | Confident | 84 | Confident | 53 Ų | 53 | 33.3 Ų | 33.3 | 25% | 0.248 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.3 | -47.7 | 175 | -172 | 177 | -163.4 | 0 | 0 | 111.5 | Q1133 L1137 A1138 D1139 S1173 T1177 | Q1133-E1135 VanDerWaalsContact C-N 3.25Å; Q1133-E1135 PolarHBondContact O-N 3.26Å; E1135-L1137 VanDerWaalsContact C-N 3.35Å; E1135-L1137 PolarHBondContact O-N 3.02Å; E1135-A1138 PolarHBondContact O-N 3.01Å; E1135-D1139 WeakPolarHBondContact O-CB 3.32Å; E1135-D1139 PolarHBondContact O-N 3.18Å; E1135-S1173 VanDerWaalsContact CD-OG 3.23Å; E1135-S1173 WeakPolarHBondContact OE2-CB 3.07Å; E1135-S1173 PolarHBondContact OE2-OG 2.93Å; E1135-T1177 WeakPolarHBondContact CB-OG1 3.39Å |
| 1136 | V | 83 | Confident | 84.5 | Confident | 13 Ų | 13 | 29.7 Ų | 29.7 | 8% | 0.079 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.3 | -41.4 | -178.6 | -179.8 | 0 | 0 | 0 | 0 | 111 | I1068 K1072 I1075 Q1133 W1140 | I1068-V1136 HydrophobicContact CG2-CG1 4.36Å; K1072-V1136 HydrophobicContact CB-CG1 4.08Å; K1072-V1136 HydrophobicContact CB-CG2 4.18Å; K1072-V1136 HydrophobicContact CD-CG2 3.96Å; K1072-V1136 HydrophobicContact CG-CG2 3.93Å; I1075-V1136 HydrophobicContact CD1-CG1 3.94Å; Q1133-V1136 PolarHBondContact O-N 3.44Å; Q1133-V1136 VanDerWaalsContact O-N 3.08Å; V1136-W1140 PolarHBondContact O-N 3.39Å |
| 1137 | L | 86.5 | Confident | 84.6 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68 | -44.2 | 177.4 | -66 | 173.7 | 0 | 0 | 0 | 111.1 | I1101 F1102 L1105 Q1133 E1135 W1140 D1141 T1145 | I1101-L1137 HydrophobicContact CG2-CD2 3.98Å; F1102-L1137 HydrophobicContact CE1-CD2 4.45Å; F1102-L1137 HydrophobicContact CZ-CB 4.27Å; F1102-L1137 HydrophobicContact CZ-CD2 4.18Å; L1105-L1137 HydrophobicContact CD1-CD1 4.13Å; L1105-L1137 HydrophobicContact CD1-CD2 4.25Å; Q1133-L1137 PolarHBondContact O-N 2.94Å; E1135-L1137 VanDerWaalsContact C-N 3.35Å; E1135-L1137 PolarHBondContact O-N 3.02Å; L1137-W1140 PolarHBondContact O-N 2.87Å; L1137-D1141 PolarHBondContact O-N 3.2Å; L1137-T1145 HydrophobicContact CB-CG2 3.92Å; L1137-T1145 WeakPolarHBondContact CB-OG1 3.5Å; L1137-T1145 PolarHBondContact O-OG1 3.4Å |
| 1138 | A | 84.8 | Confident | 84.9 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70.2 | -35.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | A1134 E1135 W1140 E1142 T1145 L1180 | A1134-A1138 WeakPolarHBondContact O-CB 3.44Å; A1134-A1138 PolarHBondContact O-N 3.2Å; E1135-A1138 PolarHBondContact O-N 3.01Å; A1138-W1140 PolarHBondContact O-N 2.83Å; A1138-E1142 PolarHBondContact O-N 3.16Å; A1138-T1145 HydrophobicContact CB-CG2 4.1Å; A1138-T1145 PolarHBondContact N-OG1 2.87Å; A1138-L1180 HydrophobicContact CB-CB 3.85Å; A1138-L1180 HydrophobicContact CB-CD1 3.91Å |
| 1139 | D | 80.9 | Confident | 85 | Confident | 23 Ų | 23 | 28.1 Ų | 28.1 | 12% | 0.123 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.9 | -26.3 | 174.1 | -98.9 | -26 | 0 | 0 | 0 | 110.9 | Y1085 E1135 R1176 L1180 | Y1085-D1139 HydrophobicContact CE1-CB 4.33Å; Y1085-D1139 PolarHBondContact OH-OD2 3.29Å; E1135-D1139 WeakPolarHBondContact O-CB 3.32Å; E1135-D1139 PolarHBondContact O-N 3.18Å; D1139-R1176 IonicContact OD1-CZ 2.98Å; D1139-R1176 IonicContact OD1-NE 2.79Å; D1139-R1176 PolarHBondContact OD1-NE 2.76Å; D1139-R1176 IonicContact OD1-NH2 3.1Å; D1139-R1176 PolarHBondContact OD1-NH2 3.08Å; D1139-R1176 IonicContact OD2-NE 3.44Å; D1139-L1180 HydrophobicContact CB-CD1 4.4Å; D1139-L1180 WeakPolarHBondContact OD1-CD1 3.48Å |
| 1140 | W | 83.8 | Confident | 85.1 | Confident | 25 Ų | 25 | 28.1 Ų | 28.1 | 10% | 0.095 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -87.5 | -55.8 | 175.2 | -161.8 | -78.5 | 0 | 0 | 0 | 113.3 | L1071 I1075 I1088 H1089 A1094 V1095 A1098 V1136 L1137 A1138 | L1071-W1140 HydrophobicContact CD1-CD2 4.01Å; L1071-W1140 HydrophobicContact CD1-CE3 3.56Å; L1071-W1140 HydrophobicContact CD1-CH2 4.09Å; L1071-W1140 HydrophobicContact CD1-CZ2 4.48Å; L1071-W1140 HydrophobicContact CD1-CZ3 3.57Å; L1071-W1140 HydrophobicContact CD2-CB 4.42Å; L1071-W1140 HydrophobicContact CD2-CD2 4.28Å; L1071-W1140 HydrophobicContact CD2-CE3 4.24Å; L1071-W1140 HydrophobicContact CD2-CG 4.34Å; L1071-W1140 HydrophobicContact CG-CE3 4.04Å; L1071-W1140 HydrophobicContact CG-CZ3 4.43Å; I1075-W1140 HydrophobicContact CD1-CE3 3.94Å; I1075-W1140 HydrophobicContact CG1-CE3 3.95Å; I1075-W1140 HydrophobicContact CG1-CZ3 4.06Å; I1088-W1140 HydrophobicContact CG2-CE3 4.31Å; I1088-W1140 HydrophobicContact CG2-CH2 3.77Å; I1088-W1140 HydrophobicContact CG2-CZ3 3.4Å; I1088-W1140 VanDerWaalsContact CG2-CZ3 3.4Å; H1089-W1140 PolarHBondContact CE1-O 2.89Å; A1094-W1140 VanDerWaalsContact C-CZ2 3.47Å; A1094-W1140 HydrophobicContact CB-CH2 3.32Å; A1094-W1140 HydrophobicContact CB-CZ2 4.04Å; A1094-W1140 HydrophobicContact CB-CZ3 4.1Å; A1094-W1140 WeakPolarHBondContact O-CZ2 3.26Å; V1095-W1140 HydrophobicContact CG2-CZ2 4.09Å; A1098-W1140 HydrophobicContact CB-CD2 3.82Å; A1098-W1140 HydrophobicContact CB-CG 3.85Å; A1098-W1140 HydrophobicContact CB-CZ2 4.01Å; V1136-W1140 PolarHBondContact O-N 3.39Å; L1137-W1140 PolarHBondContact O-N 2.87Å; A1138-W1140 PolarHBondContact O-N 2.83Å |
| 1141 | D | 85.1 | Confident | 85 | Confident | 47 Ų | 47 | 28.7 Ų | 28.7 | 25% | 0.251 | 13% | 0.134 | S | C | . | . | trans | -142.6 | 90 | 178.6 | -168 | -30.1 | 0 | 0 | 0 | 110.2 | F1102 L1137 E1143 R1144 T1145 | F1102-D1141 HydrophobicContact CD2-CB 4.37Å; F1102-D1141 HydrophobicContact CE2-CB 3.62Å; F1102-D1141 HydrophobicContact CZ-CB 3.74Å; L1137-D1141 PolarHBondContact O-N 3.2Å; D1141-E1143 PolarHBondContact O-N 3.11Å; D1141-E1143 PolarHBondContact OD1-N 3.3Å; D1141-E1143 VanDerWaalsContact OD1-N 3.1Å; D1141-R1144 HydrophobicContact CB-CB 4.22Å; D1141-R1144 PolarHBondContact OD1-N 3.09Å; D1141-R1144 VanDerWaalsContact OD2-CD 3.29Å; D1141-R1144 WeakPolarHBondContact OD2-CD 3.36Å; D1141-R1144 WeakPolarHBondContact OD2-CG 3.45Å; D1141-R1144 IonicContact OD2-NE 3.94Å; D1141-T1145 VanDerWaalsContact O-CB 3.23Å; D1141-T1145 WeakPolarHBondContact O-CB 3.38Å; D1141-T1145 PolarHBondContact O-N 3.32Å; D1141-T1145 PolarHBondContact O-OG1 2.76Å | ||
| 1142 | E | 86.3 | Confident | 84.8 | Confident | 18 Ų | 18 | 29 Ų | 29 | 8% | 0.084 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.3 | -35.7 | 178.2 | 64.6 | -164.5 | -161.5 | 0 | 0 | 112.5 | A1138 L1146 L1180 R1183 A1184 K1187 | A1138-E1142 PolarHBondContact O-N 3.16Å; E1142-L1146 PolarHBondContact O-N 3Å; E1142-L1180 HydrophobicContact CB-CB 4.47Å; E1142-R1183 VanDerWaalsContact CD-NE 3.35Å; E1142-R1183 IonicContact OE1-CZ 3.51Å; E1142-R1183 IonicContact OE1-NE 3.54Å; E1142-R1183 PolarHBondContact OE1-NE 3.22Å; E1142-R1183 IonicContact OE1-NH2 3.16Å; E1142-R1183 PolarHBondContact OE1-NH2 3.33Å; E1142-R1183 IonicContact OE2-CZ 2.89Å; E1142-R1183 VanDerWaalsContact OE2-CZ 3.23Å; E1142-R1183 IonicContact OE2-NE 2.76Å; E1142-R1183 PolarHBondContact OE2-NE 3.08Å; E1142-R1183 IonicContact OE2-NH2 3.61Å; E1142-R1183 PolarHBondContact OE2-NH2 2.97Å; E1142-A1184 VanDerWaalsContact C-CB 3.41Å; E1142-A1184 HydrophobicContact CB-CB 3.87Å; E1142-A1184 HydrophobicContact CG-CB 3.92Å; E1142-A1184 WeakPolarHBondContact O-CB 3.36Å; E1142-K1187 WeakPolarHBondContact OE1-CD 3.37Å; E1142-K1187 IonicContact OE1-NZ 2.74Å; E1142-K1187 PolarHBondContact OE1-NZ 3.32Å |
| 1143 | E | 84.1 | Confident | 84.8 | Confident | 74 Ų | 74 | 25.5 Ų | 25.5 | 35% | 0.346 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -75.7 | -48.5 | -175.8 | -153.8 | -163.3 | 130.5 | 0 | 0 | 112.4 | D1141 T1145 L1146 K1147 C1188 | D1141-E1143 PolarHBondContact O-N 3.11Å; D1141-E1143 PolarHBondContact OD1-N 3.3Å; D1141-E1143 VanDerWaalsContact OD1-N 3.1Å; E1143-T1145 VanDerWaalsContact C-N 3.3Å; E1143-L1146 PolarHBondContact O-N 2.83Å; E1143-K1147 PolarHBondContact O-N 3.01Å; E1143-K1147 VanDerWaalsContact O-N 3.12Å; E1143-K1147 IonicContact OE1-NZ 3.6Å; E1143-K1147 PolarHBondContact OE1-NZ 3.21Å; E1143-C1188 WeakPolarHBondContact CG-SG 3.49Å |
| 1144 | R | 87.4 | Confident | 84.6 | Confident | 82 Ų | 82 | 28.6 Ų | 28.6 | 31% | 0.309 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -65.4 | -37.7 | 174.8 | -74.1 | -173.5 | 173.3 | 175 | -3.6 | 111.2 | F1102 E1106 D1141 L1146 K1147 V1148 | F1102-R1144 HydrophobicContact CD1-CB 3.61Å; F1102-R1144 HydrophobicContact CE1-CB 3.68Å; F1102-R1144 HydrophobicContact CG-CB 4.17Å; F1102-R1144 HydrophobicContact CZ-CB 4.29Å; E1106-R1144 IonicContact OE1-NE 3.44Å; D1141-R1144 HydrophobicContact CB-CB 4.22Å; D1141-R1144 PolarHBondContact OD1-N 3.09Å; D1141-R1144 VanDerWaalsContact OD2-CD 3.29Å; D1141-R1144 WeakPolarHBondContact OD2-CD 3.36Å; D1141-R1144 WeakPolarHBondContact OD2-CG 3.45Å; D1141-R1144 IonicContact OD2-NE 3.94Å; R1144-L1146 VanDerWaalsContact C-N 3.33Å; R1144-L1146 PolarHBondContact O-N 3.1Å; R1144-K1147 CarbonylContact O-C 3.38Å; R1144-K1147 WeakPolarHBondContact O-CB 3.25Å; R1144-K1147 PolarHBondContact O-N 2.95Å; R1144-K1147 VanDerWaalsContact O-N 3.16Å; R1144-V1148 WeakPolarHBondContact O-CB 3.11Å; R1144-V1148 VanDerWaalsContact O-CG2 3.28Å; R1144-V1148 WeakPolarHBondContact O-CG2 3.3Å; R1144-V1148 PolarHBondContact O-N 3.04Å |
| 1145 | T | 89.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.7 | -44.2 | 176 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | F1102 L1137 A1138 D1141 E1143 K1147 V1148 L1149 | F1102-T1145 WeakPolarHBondContact CZ-OG1 3.49Å; L1137-T1145 HydrophobicContact CB-CG2 3.92Å; L1137-T1145 WeakPolarHBondContact CB-OG1 3.5Å; L1137-T1145 PolarHBondContact O-OG1 3.4Å; A1138-T1145 HydrophobicContact CB-CG2 4.1Å; A1138-T1145 PolarHBondContact N-OG1 2.87Å; D1141-T1145 VanDerWaalsContact O-CB 3.23Å; D1141-T1145 WeakPolarHBondContact O-CB 3.38Å; D1141-T1145 PolarHBondContact O-N 3.32Å; D1141-T1145 PolarHBondContact O-OG1 2.76Å; E1143-T1145 VanDerWaalsContact C-N 3.3Å; T1145-K1147 VanDerWaalsContact C-N 3.33Å; T1145-K1147 PolarHBondContact O-N 3.46Å; T1145-V1148 PolarHBondContact O-N 3.35Å; T1145-L1149 HydrophobicContact CG2-CD1 4.04Å; T1145-L1149 HydrophobicContact CG2-CG 4.27Å; T1145-L1149 WeakPolarHBondContact O-CB 3.5Å; T1145-L1149 VanDerWaalsContact O-CG 3.3Å; T1145-L1149 WeakPolarHBondContact O-CG 3.31Å; T1145-L1149 PolarHBondContact O-N 2.79Å |
| 1146 | L | 88.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.5 | -41.9 | 175 | -178.1 | 56.4 | 0 | 0 | 0 | 112.2 | E1142 E1143 R1144 Y1150 I1157 I1181 A1184 F1185 W1220 F1223 | E1142-L1146 PolarHBondContact O-N 3Å; E1143-L1146 PolarHBondContact O-N 2.83Å; R1144-L1146 VanDerWaalsContact C-N 3.33Å; R1144-L1146 PolarHBondContact O-N 3.1Å; L1146-Y1150 VanDerWaalsContact O-CB 3.25Å; L1146-Y1150 WeakPolarHBondContact O-CB 3.39Å; L1146-Y1150 PolarHBondContact O-N 3.04Å; L1146-I1157 HydrophobicContact CD1-CD1 3.99Å; L1146-I1181 HydrophobicContact CD1-CG2 3.95Å; L1146-A1184 HydrophobicContact CB-CB 4.14Å; L1146-A1184 HydrophobicContact CD2-CB 4.04Å; L1146-F1185 HydrophobicContact CD2-CB 3.84Å; L1146-F1185 HydrophobicContact CD2-CD2 4.31Å; L1146-W1220 HydrophobicContact CD2-CH2 4.29Å; L1146-W1220 HydrophobicContact CG-CH2 3.99Å; L1146-F1223 HydrophobicContact CD1-CZ 4.2Å; L1146-F1223 HydrophobicContact CD2-CE1 4.4Å |
| 1147 | K | 85.6 | Confident | 84.8 | Confident | 84 Ų | 84 | 29 Ų | 29 | 37% | 0.365 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -63.9 | -39.2 | 174.8 | -74.9 | 167.7 | 173.4 | 158.1 | 0 | 112.3 | E1143 R1144 T1145 G1151 W1220 | E1143-K1147 PolarHBondContact O-N 3.01Å; E1143-K1147 VanDerWaalsContact O-N 3.12Å; E1143-K1147 IonicContact OE1-NZ 3.6Å; E1143-K1147 PolarHBondContact OE1-NZ 3.21Å; R1144-K1147 CarbonylContact O-C 3.38Å; R1144-K1147 WeakPolarHBondContact O-CB 3.25Å; R1144-K1147 PolarHBondContact O-N 2.95Å; R1144-K1147 VanDerWaalsContact O-N 3.16Å; T1145-K1147 VanDerWaalsContact C-N 3.33Å; T1145-K1147 PolarHBondContact O-N 3.46Å; K1147-G1151 PolarHBondContact O-N 2.68Å; K1147-W1220 HydrophobicContact CB-CH2 4.33Å; K1147-W1220 HydrophobicContact CD-CZ2 4.43Å; K1147-W1220 HydrophobicContact CG-CH2 3.48Å; K1147-W1220 VanDerWaalsContact CG-CH2 3.48Å; K1147-W1220 HydrophobicContact CG-CZ2 3.61Å; K1147-W1220 HydrophobicContact CG-CZ3 4.13Å |
| 1148 | V | 86.4 | Confident | 84.7 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.8 | -50.4 | 176.9 | 165.2 | 0 | 0 | 0 | 0 | 110.4 | F1102 L1105 I1109 R1144 T1145 Y1150 G1151 L1152 | F1102-V1148 HydrophobicContact CD1-CG2 4.32Å; L1105-V1148 HydrophobicContact CB-CG1 4.48Å; L1105-V1148 HydrophobicContact CB-CG2 4.17Å; L1105-V1148 HydrophobicContact CD1-CG1 4.37Å; I1109-V1148 HydrophobicContact CD1-CB 3.85Å; I1109-V1148 HydrophobicContact CD1-CG1 3.75Å; I1109-V1148 HydrophobicContact CD1-CG2 3.82Å; R1144-V1148 WeakPolarHBondContact O-CB 3.11Å; R1144-V1148 VanDerWaalsContact O-CG2 3.28Å; R1144-V1148 WeakPolarHBondContact O-CG2 3.3Å; R1144-V1148 PolarHBondContact O-N 3.04Å; T1145-V1148 PolarHBondContact O-N 3.35Å; V1148-Y1150 PolarHBondContact O-N 3.5Å; V1148-G1151 PolarHBondContact O-N 3.08Å; V1148-L1152 HydrophobicContact CG1-CD1 4.08Å; V1148-L1152 VanDerWaalsContact O-CG 3.32Å; V1148-L1152 WeakPolarHBondContact O-CG 3.43Å; V1148-L1152 PolarHBondContact O-N 2.83Å |
| 1149 | L | 87.3 | Confident | 84.7 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.3 | -42 | 178.9 | -66.3 | 176 | 0 | 0 | 0 | 112 | F1131 T1145 L1152 T1153 I1160 V1164 I1181 | F1131-L1149 HydrophobicContact CD1-CD2 4.19Å; F1131-L1149 HydrophobicContact CD2-CD2 4.35Å; F1131-L1149 HydrophobicContact CE1-CD2 3.9Å; F1131-L1149 HydrophobicContact CE2-CD2 4.07Å; F1131-L1149 HydrophobicContact CG-CD2 4.41Å; F1131-L1149 HydrophobicContact CZ-CD2 3.83Å; T1145-L1149 HydrophobicContact CG2-CD1 4.04Å; T1145-L1149 HydrophobicContact CG2-CG 4.27Å; T1145-L1149 WeakPolarHBondContact O-CB 3.5Å; T1145-L1149 VanDerWaalsContact O-CG 3.3Å; T1145-L1149 WeakPolarHBondContact O-CG 3.31Å; T1145-L1149 PolarHBondContact O-N 2.79Å; L1149-L1152 PolarHBondContact O-N 3.07Å; L1149-T1153 WeakPolarHBondContact O-CB 3.39Å; L1149-T1153 WeakPolarHBondContact O-CG2 3.33Å; L1149-T1153 PolarHBondContact O-N 3.37Å; L1149-T1153 VanDerWaalsContact O-N 3.12Å; L1149-T1153 PolarHBondContact O-OG1 2.89Å; L1149-I1160 HydrophobicContact CB-CG2 4.2Å; L1149-I1160 HydrophobicContact CD1-CG2 4.29Å; L1149-V1164 HydrophobicContact CD1-CG2 4.07Å; L1149-I1181 HydrophobicContact CD1-CD1 3.68Å; L1149-I1181 HydrophobicContact CD1-CG1 4.38Å |
| 1150 | Y | 85.3 | Confident | 85 | Confident | 28 Ų | 28 | 35.4 Ų | 35.4 | 11% | 0.11 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.4 | -42.1 | 173.1 | 174.4 | -104.3 | 0 | 0 | 0 | 111.7 | L1146 V1148 L1152 T1153 N1154 I1160 N1219 W1220 F1223 | L1146-Y1150 VanDerWaalsContact O-CB 3.25Å; L1146-Y1150 WeakPolarHBondContact O-CB 3.39Å; L1146-Y1150 PolarHBondContact O-N 3.04Å; V1148-Y1150 PolarHBondContact O-N 3.5Å; Y1150-L1152 VanDerWaalsContact C-N 3.26Å; Y1150-L1152 PolarHBondContact O-N 3.35Å; Y1150-T1153 PolarHBondContact O-N 2.91Å; Y1150-N1154 VanDerWaalsContact O-CA 3.28Å; Y1150-N1154 WeakPolarHBondContact O-CA 2.89Å; Y1150-N1154 PolarHBondContact O-N 2.54Å; Y1150-N1154 PolarHBondContact OH-OD1 3.47Å; Y1150-I1160 HydrophobicContact CD2-CD1 4.41Å; Y1150-N1219 WeakPolarHBondContact OH-CB 3.34Å; Y1150-W1220 AromaticContact CD1-CE3 3.38Å; Y1150-W1220 HydrophobicContact CD1-CE3 3.38Å; Y1150-W1220 AromaticContact CD1-CZ3 3.51Å; Y1150-W1220 HydrophobicContact CD1-CZ3 3.51Å; Y1150-W1220 AromaticContact CE1-CE3 3.68Å; Y1150-W1220 HydrophobicContact CE1-CE3 3.68Å; Y1150-W1220 HydrophobicContact CE1-CZ3 4.26Å; Y1150-W1220 AromaticContact CG-CE3 3.93Å; Y1150-W1220 HydrophobicContact CG-CE3 3.93Å; Y1150-W1220 AromaticContact CG-CZ3 3.66Å; Y1150-W1220 HydrophobicContact CG-CZ3 3.66Å; Y1150-F1223 AromaticContact CD2-CD2 3.95Å; Y1150-F1223 HydrophobicContact CD2-CD2 3.95Å; Y1150-F1223 HydrophobicContact CD2-CE2 4.1Å; Y1150-F1223 HydrophobicContact CD2-CG 4.25Å; Y1150-F1223 HydrophobicContact CE2-CB 4.23Å; Y1150-F1223 AromaticContact CE2-CD2 3.97Å; Y1150-F1223 HydrophobicContact CE2-CD2 3.97Å; Y1150-F1223 HydrophobicContact CE2-CG 4.13Å |
| 1151 | G | 81.1 | Confident | 85.1 | Confident | 12 Ų | 12 | 34.8 Ų | 34.8 | 12% | 0.124 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.3 | -32.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K1147 V1148 | K1147-G1151 PolarHBondContact O-N 2.68Å; V1148-G1151 PolarHBondContact O-N 3.08Å |
| 1152 | L | 81.8 | Confident | 85 | Confident | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -78.1 | -27.7 | 175.8 | -70.1 | 170.3 | 0 | 0 | 0 | 113.3 | I1109 I1112 Y1123 L1126 C1130 V1148 L1149 Y1150 | I1109-L1152 HydrophobicContact CD1-CG 4.31Å; I1109-L1152 HydrophobicContact CG1-CD2 4.01Å; I1109-L1152 HydrophobicContact CG1-CG 4.14Å; I1112-L1152 HydrophobicContact CD1-CD2 4.23Å; Y1123-L1152 HydrophobicContact CE2-CD2 4Å; Y1123-L1152 PolarHBondContact OH-O 3.47Å; L1126-L1152 HydrophobicContact CD2-CD2 4.42Å; C1130-L1152 HydrophobicContact CB-CD1 3.91Å; V1148-L1152 HydrophobicContact CG1-CD1 4.08Å; V1148-L1152 VanDerWaalsContact O-CG 3.32Å; V1148-L1152 WeakPolarHBondContact O-CG 3.43Å; V1148-L1152 PolarHBondContact O-N 2.83Å; L1149-L1152 PolarHBondContact O-N 3.07Å; Y1150-L1152 VanDerWaalsContact C-N 3.26Å; Y1150-L1152 PolarHBondContact O-N 3.35Å |
| 1153 | T | 82.7 | Confident | 84.9 | Confident | 33 Ų | 33 | 41.2 Ų | 41.2 | 20% | 0.202 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -116 | -28.6 | -170.4 | 58.5 | 0 | 0 | 0 | 0 | 115.1 | F1131 L1149 Y1150 A1155 L1163 | F1131-T1153 HydrophobicContact CE2-CG2 4.08Å; F1131-T1153 HydrophobicContact CZ-CG2 3.74Å; L1149-T1153 WeakPolarHBondContact O-CB 3.39Å; L1149-T1153 WeakPolarHBondContact O-CG2 3.33Å; L1149-T1153 PolarHBondContact O-N 3.37Å; L1149-T1153 VanDerWaalsContact O-N 3.12Å; L1149-T1153 PolarHBondContact O-OG1 2.89Å; Y1150-T1153 PolarHBondContact O-N 2.91Å; T1153-A1155 PolarHBondContact O-N 3.42Å; T1153-L1163 HydrophobicContact CG2-CD1 3.82Å |
| 1154 | N | 80.2 | Confident | 84.9 | Confident | 99 Ų | 99 | 37.7 Ų | 37.7 | 53% | 0.529 | 20% | 0.197 | S | C | . | . | trans | 51.4 | 28.1 | -170.9 | -145.1 | 5.2 | 0 | 0 | 0 | 114 | Y1150 | Y1150-N1154 VanDerWaalsContact O-CA 3.28Å; Y1150-N1154 WeakPolarHBondContact O-CA 2.89Å; Y1150-N1154 PolarHBondContact O-N 2.54Å; Y1150-N1154 PolarHBondContact OH-OD1 3.47Å | ||
| 1155 | A | 82 | Confident | 84.5 | Confident | 17 Ų | 17 | 36.8 Ų | 36.8 | 14% | 0.14 | 20% | 0.198 | C | C | . | . | trans | -96.7 | 167.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113 | T1153 E1159 I1160 | T1153-A1155 PolarHBondContact O-N 3.42Å; A1155-E1159 HydrophobicContact CB-CB 3.83Å; A1155-E1159 WeakPolarHBondContact CB-OE2 3.5Å; A1155-I1160 HydrophobicContact CB-CG1 4.22Å | ||
| 1156 | S | 85 | Confident | 84.2 | Confident | 53 Ų | 53 | 40.7 Ų | 40.7 | 37% | 0.371 | 23% | 0.225 | S | C | . | . | trans | -68.1 | 159.5 | 172.1 | 67.1 | 0 | 0 | 0 | 0 | 111.7 | S1158 E1159 I1160 | S1156-S1158 PolarHBondContact O-N 3.18Å; S1156-E1159 WeakPolarHBondContact CB-OE2 3.48Å; S1156-E1159 PolarHBondContact N-OE2 2.93Å; S1156-E1159 PolarHBondContact O-N 3.41Å; S1156-E1159 VanDerWaalsContact O-N 3.1Å; S1156-E1159 VanDerWaalsContact OG-CD 3.24Å; S1156-E1159 WeakPolarHBondContact OG-CG 3.45Å; S1156-E1159 PolarHBondContact OG-OE2 3.34Å; S1156-I1160 WeakPolarHBondContact O-CG1 3.34Å; S1156-I1160 PolarHBondContact O-N 3.13Å | ||
| 1157 | I | 87.6 | Confident | 83.6 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.8 | -33.9 | -178.8 | -172.7 | 66.3 | 0 | 0 | 0 | 111.8 | L1146 L1161 I1181 L1182 F1185 F1223 I1231 | L1146-I1157 HydrophobicContact CD1-CD1 3.99Å; I1157-L1161 VanDerWaalsContact O-CG 3.27Å; I1157-L1161 WeakPolarHBondContact O-CG 3.12Å; I1157-L1161 PolarHBondContact O-N 3.37Å; I1157-L1161 VanDerWaalsContact O-N 3.13Å; I1157-I1181 HydrophobicContact CD1-CG2 3.99Å; I1157-L1182 HydrophobicContact CG1-CD2 4.17Å; I1157-F1185 HydrophobicContact CB-CD2 4.32Å; I1157-F1185 HydrophobicContact CB-CE2 4.13Å; I1157-F1185 HydrophobicContact CD1-CB 4.32Å; I1157-F1185 HydrophobicContact CD1-CD2 3.91Å; I1157-F1185 HydrophobicContact CD1-CG 4.25Å; I1157-F1185 HydrophobicContact CG1-CD2 4.03Å; I1157-F1185 HydrophobicContact CG1-CE2 4.3Å; I1157-F1185 HydrophobicContact CG1-CG 4.28Å; I1157-F1185 HydrophobicContact CG2-CE2 4.35Å; I1157-F1185 HydrophobicContact CG2-CZ 4.37Å; I1157-F1223 HydrophobicContact CB-CE2 3.96Å; I1157-F1223 HydrophobicContact CB-CZ 4.04Å; I1157-F1223 HydrophobicContact CD1-CZ 3.98Å; I1157-I1231 HydrophobicContact CG2-CD1 3.44Å; I1157-I1231 VanDerWaalsContact CG2-CD1 3.44Å |
| 1158 | S | 83.9 | Confident | 82.7 | Confident | 63 Ų | 63 | 41.4 Ų | 41.4 | 44% | 0.441 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.9 | -43.8 | 174.8 | -74.1 | 0 | 0 | 0 | 0 | 112.7 | S1156 L1161 E1162 | S1156-S1158 PolarHBondContact O-N 3.18Å; S1158-L1161 PolarHBondContact O-N 2.7Å; S1158-E1162 PolarHBondContact O-N 2.93Å |
| 1159 | E | 84.3 | Confident | 81.5 | Confident | 95 Ų | 95 | 51.2 Ų | 51.2 | 44% | 0.444 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.4 | -37.1 | 179.7 | -70.4 | 162.1 | 150.3 | 0 | 0 | 111.9 | A1155 S1156 L1161 E1162 L1163 | A1155-E1159 HydrophobicContact CB-CB 3.83Å; A1155-E1159 WeakPolarHBondContact CB-OE2 3.5Å; S1156-E1159 WeakPolarHBondContact CB-OE2 3.48Å; S1156-E1159 PolarHBondContact N-OE2 2.93Å; S1156-E1159 PolarHBondContact O-N 3.41Å; S1156-E1159 VanDerWaalsContact O-N 3.1Å; S1156-E1159 VanDerWaalsContact OG-CD 3.24Å; S1156-E1159 WeakPolarHBondContact OG-CG 3.45Å; S1156-E1159 PolarHBondContact OG-OE2 3.34Å; E1159-L1161 VanDerWaalsContact C-N 3.31Å; E1159-L1161 PolarHBondContact O-N 2.68Å; E1159-E1162 PolarHBondContact O-N 3.34Å; E1159-L1163 PolarHBondContact O-N 3.21Å |
| 1160 | I | 86.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 173.9 | -67.2 | 174.6 | 0 | 0 | 0 | 110.1 | L1149 Y1150 A1155 S1156 E1162 L1163 V1164 F1223 | L1149-I1160 HydrophobicContact CB-CG2 4.2Å; L1149-I1160 HydrophobicContact CD1-CG2 4.29Å; Y1150-I1160 HydrophobicContact CD2-CD1 4.41Å; A1155-I1160 HydrophobicContact CB-CG1 4.22Å; S1156-I1160 WeakPolarHBondContact O-CG1 3.34Å; S1156-I1160 PolarHBondContact O-N 3.13Å; I1160-E1162 VanDerWaalsContact C-N 3.35Å; I1160-E1162 PolarHBondContact O-N 3.2Å; I1160-L1163 PolarHBondContact O-N 2.9Å; I1160-V1164 HydrophobicContact CG2-CG2 4.42Å; I1160-V1164 WeakPolarHBondContact O-CG2 3.31Å; I1160-V1164 PolarHBondContact O-N 3.23Å; I1160-F1223 HydrophobicContact CD1-CE2 4.1Å; I1160-F1223 HydrophobicContact CD1-CZ 4.22Å |
| 1161 | L | 85.6 | Confident | 79.3 | Confident | 13 Ų | 13 | 65.3 Ų | 65.3 | 7% | 0.068 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.5 | -36.6 | 178 | -69.1 | 178.1 | 0 | 0 | 0 | 112.4 | I1157 S1158 E1159 N1165 T1178 I1181 L1182 | I1157-L1161 VanDerWaalsContact O-CG 3.27Å; I1157-L1161 WeakPolarHBondContact O-CG 3.12Å; I1157-L1161 PolarHBondContact O-N 3.37Å; I1157-L1161 VanDerWaalsContact O-N 3.13Å; S1158-L1161 PolarHBondContact O-N 2.7Å; E1159-L1161 VanDerWaalsContact C-N 3.31Å; E1159-L1161 PolarHBondContact O-N 2.68Å; L1161-N1165 WeakPolarHBondContact O-CB 3.19Å; L1161-N1165 PolarHBondContact O-N 2.92Å; L1161-N1165 VanDerWaalsContact O-N 3.12Å; L1161-N1165 PolarHBondContact O-ND2 3.08Å; L1161-T1178 HydrophobicContact CD1-CG2 4.29Å; L1161-T1178 HydrophobicContact CD2-CG2 3.85Å; L1161-I1181 HydrophobicContact CD2-CB 4.19Å; L1161-I1181 HydrophobicContact CD2-CG2 3.78Å; L1161-L1182 HydrophobicContact CD1-CD1 4.21Å; L1161-L1182 HydrophobicContact CD1-CD2 3.95Å; L1161-L1182 HydrophobicContact CD1-CG 4.08Å |
| 1162 | E | 84.5 | Confident | 78.4 | Confident | 145 Ų | 145 | 71.1 Ų | 71.1 | 68% | 0.678 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64 | -43.9 | 173.2 | -77.9 | -175.8 | 170.1 | 0 | 0 | 112.1 | S1158 E1159 I1160 N1165 S1166 | S1158-E1162 PolarHBondContact O-N 2.93Å; E1159-E1162 PolarHBondContact O-N 3.34Å; I1160-E1162 VanDerWaalsContact C-N 3.35Å; I1160-E1162 PolarHBondContact O-N 3.2Å; E1162-N1165 PolarHBondContact O-N 3.45Å; E1162-S1166 PolarHBondContact O-N 3.19Å |
| 1163 | L | 84.7 | Confident | 77.5 | Confident | 54 Ų | 54 | 71.5 Ų | 71.5 | 28% | 0.283 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.1 | -47.6 | 177.7 | -76.7 | 167.9 | 0 | 0 | 0 | 111.8 | F1131 T1153 E1159 I1160 N1165 S1166 Y1167 | F1131-L1163 HydrophobicContact CD1-CB 4.4Å; F1131-L1163 HydrophobicContact CE1-CB 3.64Å; F1131-L1163 HydrophobicContact CZ-CB 4.11Å; F1131-L1163 HydrophobicContact CZ-CD1 4.33Å; T1153-L1163 HydrophobicContact CG2-CD1 3.82Å; E1159-L1163 PolarHBondContact O-N 3.21Å; I1160-L1163 PolarHBondContact O-N 2.9Å; L1163-N1165 VanDerWaalsContact C-N 3.28Å; L1163-N1165 PolarHBondContact O-N 3.05Å; L1163-S1166 WeakPolarHBondContact O-CB 3.36Å; L1163-S1166 PolarHBondContact O-N 2.99Å; L1163-S1166 PolarHBondContact O-OG 3.29Å; L1163-Y1167 WeakPolarHBondContact O-CD2 3.27Å; L1163-Y1167 PolarHBondContact O-N 3.47Å |
| 1164 | V | 82.9 | Confident | 77.2 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.1 | -44.1 | 177.3 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | F1131 L1149 I1160 S1166 Y1167 V1168 T1177 I1181 | F1131-V1164 HydrophobicContact CD1-CG2 4Å; F1131-V1164 HydrophobicContact CE1-CG2 3.83Å; L1149-V1164 HydrophobicContact CD1-CG2 4.07Å; I1160-V1164 HydrophobicContact CG2-CG2 4.42Å; I1160-V1164 WeakPolarHBondContact O-CG2 3.31Å; I1160-V1164 PolarHBondContact O-N 3.23Å; V1164-S1166 PolarHBondContact O-N 3.32Å; V1164-Y1167 PolarHBondContact O-N 3.5Å; V1164-V1168 PolarHBondContact O-N 3.12Å; V1164-T1177 HydrophobicContact CG1-CG2 3.55Å; V1164-I1181 HydrophobicContact CB-CD1 4.45Å; V1164-I1181 HydrophobicContact CG1-CD1 4.25Å; V1164-I1181 HydrophobicContact CG2-CD1 3.74Å |
| 1165 | N | 80.1 | Confident | 77.2 | Confident | 64 Ų | 64 | 70.8 Ų | 70.8 | 34% | 0.342 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.9 | -19.1 | 178.9 | -77.9 | -52.2 | 0 | 0 | 0 | 114.1 | L1161 E1162 L1163 N1174 | L1161-N1165 WeakPolarHBondContact O-CB 3.19Å; L1161-N1165 PolarHBondContact O-N 2.92Å; L1161-N1165 VanDerWaalsContact O-N 3.12Å; L1161-N1165 PolarHBondContact O-ND2 3.08Å; E1162-N1165 PolarHBondContact O-N 3.45Å; L1163-N1165 VanDerWaalsContact C-N 3.28Å; L1163-N1165 PolarHBondContact O-N 3.05Å; N1165-N1174 WeakPolarHBondContact CA-OD1 3.41Å; N1165-N1174 PolarHBondContact O-ND2 3.33Å; N1165-N1174 VanDerWaalsContact OD1-CB 3.27Å; N1165-N1174 WeakPolarHBondContact OD1-CB 3.43Å; N1165-N1174 PolarHBondContact OD1-OD1 3.46Å |
| 1166 | S | 82.5 | Confident | 77.2 | Confident | 81 Ų | 81 | 73.1 Ų | 73.1 | 57% | 0.566 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -82.6 | -32.7 | 178.5 | 75.3 | 0 | 0 | 0 | 0 | 114.1 | E1162 L1163 V1164 | E1162-S1166 PolarHBondContact O-N 3.19Å; L1163-S1166 WeakPolarHBondContact O-CB 3.36Å; L1163-S1166 PolarHBondContact O-N 2.99Å; L1163-S1166 PolarHBondContact O-OG 3.29Å; V1164-S1166 PolarHBondContact O-N 3.32Å |
| 1167 | Y | 75.1 | Confident | 77.1 | Confident | 83 Ų | 83 | 70.6 Ų | 70.6 | 33% | 0.325 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -87.2 | -27.4 | -177.3 | -77.8 | -84.3 | 0 | 0 | 0 | 113.1 | L1128 F1131 L1163 V1164 | L1128-Y1167 HydrophobicContact CD1-CD1 3.98Å; L1128-Y1167 HydrophobicContact CD1-CE1 3.63Å; F1131-Y1167 HydrophobicContact CB-CD1 4.23Å; F1131-Y1167 HydrophobicContact CB-CD2 3.67Å; F1131-Y1167 HydrophobicContact CB-CE2 4.22Å; F1131-Y1167 HydrophobicContact CB-CG 3.69Å; F1131-Y1167 AromaticContact CD1-CD2 3.99Å; F1131-Y1167 HydrophobicContact CD1-CD2 3.99Å; F1131-Y1167 HydrophobicContact CD1-CE2 4.49Å; F1131-Y1167 AromaticContact CG-CD2 3.91Å; F1131-Y1167 HydrophobicContact CG-CD2 3.91Å; F1131-Y1167 HydrophobicContact CG-CE2 4.22Å; F1131-Y1167 HydrophobicContact CG-CG 4.43Å; L1163-Y1167 WeakPolarHBondContact O-CD2 3.27Å; L1163-Y1167 PolarHBondContact O-N 3.47Å; V1164-Y1167 PolarHBondContact O-N 3.5Å |
| 1168 | V | 66.5 | Low | 77.1 | Confident | 16 Ų | 16 | 70.9 Ų | 70.9 | 10% | 0.097 | 35% | 0.346 | C | S | . | . | trans | -89.6 | 112.3 | -179.3 | 167.9 | 0 | 0 | 0 | 0 | 109.5 | V1164 E1170 S1173 N1174 | V1164-V1168 PolarHBondContact O-N 3.12Å; V1168-E1170 PolarHBondContact O-N 2.83Å; V1168-S1173 WeakPolarHBondContact CG1-OG 3.42Å; V1168-N1174 WeakPolarHBondContact CB-OD1 3.34Å; V1168-N1174 HydrophobicContact CG1-CB 4.49Å; V1168-N1174 WeakPolarHBondContact CG1-OD1 3.3Å; V1168-N1174 PolarHBondContact O-ND2 2.9Å; V1168-N1174 PolarHBondContact O-OD1 3.13Å | ||
| 1169 | K | 61.5 | Low | 77.3 | Confident | 207 Ų | 207 | 68.2 Ų | 68.2 | 90% | 0.9 | 33% | 0.327 | S | S | * | . | trans | -74.4 | -21.8 | -173.6 | -68.9 | 179.9 | 179.8 | 173.3 | 0 | 114.1 | ||||
| 1170 | E | 65.5 | Low | 77.3 | Confident | 142 Ų | 142 | 64 Ų | 64 | 66% | 0.664 | 31% | 0.307 | S | S | * | . | trans | -97.7 | 127.5 | -175.9 | -72.5 | -171.9 | 176.9 | 0 | 0 | 112.7 | V1168 I1172 S1173 N1174 | V1168-E1170 PolarHBondContact O-N 2.83Å; E1170-I1172 VanDerWaalsContact C-N 3.3Å; E1170-I1172 PolarHBondContact O-N 2.97Å; E1170-S1173 PolarHBondContact O-N 2.77Å; E1170-N1174 PolarHBondContact O-N 3.22Å | ||
| 1171 | K | 61 | Low | 77.4 | Confident | 183 Ų | 183 | 64 Ų | 64 | 80% | 0.796 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.9 | -32.8 | -173.5 | -138.7 | -179.4 | -173.4 | -177.9 | 0 | 113.9 | ||
| 1172 | I | 62.3 | Low | 77.6 | Confident | 135 Ų | 135 | 63.4 Ų | 63.4 | 69% | 0.692 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -76.9 | -43.9 | -180 | -63.4 | 170.3 | 0 | 0 | 0 | 110.5 | E1170 N1174 Q1175 R1176 | E1170-I1172 VanDerWaalsContact C-N 3.3Å; E1170-I1172 PolarHBondContact O-N 2.97Å; I1172-N1174 VanDerWaalsContact C-N 3.26Å; I1172-N1174 PolarHBondContact O-N 3.45Å; I1172-Q1175 PolarHBondContact O-N 3.47Å; I1172-R1176 PolarHBondContact O-N 3.3Å |
| 1173 | S | 63.4 | Low | 77.7 | Confident | 13 Ų | 13 | 59.1 Ų | 59.1 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.1 | -37.8 | 174.2 | 169.8 | 0 | 0 | 0 | 0 | 111.6 | E1135 V1168 E1170 Q1175 R1176 T1177 | E1135-S1173 VanDerWaalsContact CD-OG 3.23Å; E1135-S1173 WeakPolarHBondContact OE2-CB 3.07Å; E1135-S1173 PolarHBondContact OE2-OG 2.93Å; V1168-S1173 WeakPolarHBondContact CG1-OG 3.42Å; E1170-S1173 PolarHBondContact O-N 2.77Å; S1173-Q1175 PolarHBondContact O-N 2.78Å; S1173-R1176 PolarHBondContact O-N 3.19Å; S1173-T1177 WeakPolarHBondContact O-CB 3.4Å; S1173-T1177 PolarHBondContact O-N 2.98Å; S1173-T1177 PolarHBondContact O-OG1 3Å |
| 1174 | N | 75.3 | Confident | 77.7 | Confident | 23 Ų | 23 | 56.5 Ų | 56.5 | 12% | 0.123 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.6 | -47.6 | 174.9 | -94.2 | -13.9 | 0 | 0 | 0 | 113.7 | N1165 V1168 E1170 I1172 T1178 | N1165-N1174 WeakPolarHBondContact CA-OD1 3.41Å; N1165-N1174 PolarHBondContact O-ND2 3.33Å; N1165-N1174 VanDerWaalsContact OD1-CB 3.27Å; N1165-N1174 WeakPolarHBondContact OD1-CB 3.43Å; N1165-N1174 PolarHBondContact OD1-OD1 3.46Å; V1168-N1174 WeakPolarHBondContact CB-OD1 3.34Å; V1168-N1174 HydrophobicContact CG1-CB 4.49Å; V1168-N1174 WeakPolarHBondContact CG1-OD1 3.3Å; V1168-N1174 PolarHBondContact O-ND2 2.9Å; V1168-N1174 PolarHBondContact O-OD1 3.13Å; E1170-N1174 PolarHBondContact O-N 3.22Å; I1172-N1174 VanDerWaalsContact C-N 3.26Å; I1172-N1174 PolarHBondContact O-N 3.45Å; N1174-T1178 VanDerWaalsContact O-CB 3.3Å; N1174-T1178 WeakPolarHBondContact O-CB 3.37Å; N1174-T1178 PolarHBondContact O-N 3.49Å; N1174-T1178 PolarHBondContact O-OG1 3.4Å |
| 1175 | Q | 80.9 | Confident | 78 | Confident | 95 Ų | 95 | 56.5 Ų | 56.5 | 44% | 0.444 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.9 | -38 | 179.8 | -69.7 | -176.1 | -18 | 0 | 0 | 111.8 | I1172 S1173 T1178 Y1179 F1242 | I1172-Q1175 PolarHBondContact O-N 3.47Å; S1173-Q1175 PolarHBondContact O-N 2.78Å; Q1175-T1178 PolarHBondContact O-N 2.9Å; Q1175-Y1179 WeakPolarHBondContact O-CB 3.44Å; Q1175-Y1179 PolarHBondContact O-N 3.24Å; Q1175-F1242 VanDerWaalsContact C-CZ 3.44Å; Q1175-F1242 HydrophobicContact CB-CE2 3.86Å; Q1175-F1242 HydrophobicContact CB-CZ 3.6Å; Q1175-F1242 WeakPolarHBondContact O-CE2 3.44Å |
| 1176 | R | 81.3 | Confident | 78.3 | Confident | 66 Ų | 66 | 53.8 Ų | 53.8 | 25% | 0.249 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.5 | -45.2 | 178.8 | -173.7 | 172.2 | 177.7 | 79.6 | 9.4 | 111.7 | Y1085 D1139 I1172 S1173 T1178 Y1179 L1180 F1242 | Y1085-R1176 PolarHBondContact OH-NH2 3.33Å; D1139-R1176 IonicContact OD1-CZ 2.98Å; D1139-R1176 IonicContact OD1-NE 2.79Å; D1139-R1176 PolarHBondContact OD1-NE 2.76Å; D1139-R1176 IonicContact OD1-NH2 3.1Å; D1139-R1176 PolarHBondContact OD1-NH2 3.08Å; D1139-R1176 IonicContact OD2-NE 3.44Å; I1172-R1176 PolarHBondContact O-N 3.3Å; S1173-R1176 PolarHBondContact O-N 3.19Å; R1176-T1178 VanDerWaalsContact C-N 3.33Å; R1176-T1178 PolarHBondContact O-N 3.33Å; R1176-Y1179 WeakPolarHBondContact O-CB 3.29Å; R1176-Y1179 PolarHBondContact O-N 3.37Å; R1176-L1180 HydrophobicContact CG-CD1 4.31Å; R1176-L1180 WeakPolarHBondContact O-CG 3.47Å; R1176-L1180 PolarHBondContact O-N 3.29Å; R1176-F1242 HydrophobicContact CB-CE1 3.84Å; R1176-F1242 HydrophobicContact CB-CZ 4.05Å; R1176-F1242 HydrophobicContact CG-CE1 4.24Å |
| 1177 | T | 83.1 | Confident | 78.4 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.2 | -42.3 | 177.1 | -47.9 | 0 | 0 | 0 | 0 | 110.9 | A1134 E1135 V1164 S1173 Y1179 L1180 I1181 | A1134-T1177 HydrophobicContact CB-CG2 4.05Å; E1135-T1177 WeakPolarHBondContact CB-OG1 3.39Å; V1164-T1177 HydrophobicContact CG1-CG2 3.55Å; S1173-T1177 WeakPolarHBondContact O-CB 3.4Å; S1173-T1177 PolarHBondContact O-N 2.98Å; S1173-T1177 PolarHBondContact O-OG1 3Å; T1177-Y1179 VanDerWaalsContact C-N 3.35Å; T1177-Y1179 PolarHBondContact O-N 2.87Å; T1177-L1180 PolarHBondContact O-N 3.28Å; T1177-I1181 HydrophobicContact CG2-CD1 4.07Å; T1177-I1181 WeakPolarHBondContact O-CB 3.37Å; T1177-I1181 WeakPolarHBondContact O-CG1 3.3Å; T1177-I1181 PolarHBondContact O-N 3.07Å |
| 1178 | T | 87.4 | Confident | 78.7 | Confident | 11 Ų | 11 | 51 Ų | 51 | 7% | 0.067 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.7 | -43.3 | 174.3 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | L1161 N1174 Q1175 R1176 L1182 L1238 | L1161-T1178 HydrophobicContact CD1-CG2 4.29Å; L1161-T1178 HydrophobicContact CD2-CG2 3.85Å; N1174-T1178 VanDerWaalsContact O-CB 3.3Å; N1174-T1178 WeakPolarHBondContact O-CB 3.37Å; N1174-T1178 PolarHBondContact O-N 3.49Å; N1174-T1178 PolarHBondContact O-OG1 3.4Å; Q1175-T1178 PolarHBondContact O-N 2.9Å; R1176-T1178 VanDerWaalsContact C-N 3.33Å; R1176-T1178 PolarHBondContact O-N 3.33Å; T1178-L1182 HydrophobicContact CG2-CD1 4.06Å; T1178-L1182 WeakPolarHBondContact O-CB 3.38Å; T1178-L1182 WeakPolarHBondContact O-CG 3.35Å; T1178-L1182 PolarHBondContact O-N 3.29Å; T1178-L1238 HydrophobicContact CG2-CD1 3.83Å |
| 1179 | Y | 88.1 | Confident | 79.5 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 3% | 0.027 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.1 | -50.6 | 175.8 | 163 | -111.1 | 0 | 0 | 0 | 112.1 | Q1175 R1176 T1177 I1181 L1182 R1183 F1235 L1238 L1239 F1242 E1243 | Q1175-Y1179 WeakPolarHBondContact O-CB 3.44Å; Q1175-Y1179 PolarHBondContact O-N 3.24Å; R1176-Y1179 WeakPolarHBondContact O-CB 3.29Å; R1176-Y1179 PolarHBondContact O-N 3.37Å; T1177-Y1179 VanDerWaalsContact C-N 3.35Å; T1177-Y1179 PolarHBondContact O-N 2.87Å; Y1179-I1181 PolarHBondContact O-N 3.31Å; Y1179-L1182 PolarHBondContact O-N 2.92Å; Y1179-R1183 WeakPolarHBondContact O-CB 3.31Å; Y1179-R1183 PolarHBondContact O-N 2.86Å; Y1179-R1183 WeakPolarHBondContact OH-CD 3.36Å; Y1179-R1183 PolarHBondContact OH-NH1 3.34Å; Y1179-F1235 HydrophobicContact CD2-CE2 4.21Å; Y1179-F1235 HydrophobicContact CE2-CE2 4.19Å; Y1179-L1238 HydrophobicContact CD2-CB 4.12Å; Y1179-L1239 HydrophobicContact CE2-CD2 4.09Å; Y1179-L1239 HydrophobicContact CE2-CG 4.47Å; Y1179-F1242 HydrophobicContact CD1-CB 3.85Å; Y1179-F1242 HydrophobicContact CD1-CD2 4.25Å; Y1179-F1242 HydrophobicContact CD1-CG 4.01Å; Y1179-F1242 HydrophobicContact CD2-CB 4.24Å; Y1179-F1242 HydrophobicContact CD2-CD2 4.3Å; Y1179-F1242 HydrophobicContact CE1-CB 3.93Å; Y1179-F1242 HydrophobicContact CE2-CB 4.34Å; Y1179-F1242 HydrophobicContact CG-CB 4Å; Y1179-F1242 AromaticContact CG-CD2 3.8Å; Y1179-F1242 HydrophobicContact CG-CD2 3.8Å; Y1179-F1242 HydrophobicContact CG-CG 4.01Å; Y1179-E1243 WeakPolarHBondContact OH-CG 3.44Å; Y1179-E1243 PolarHBondContact OH-OE1 3.46Å |
| 1180 | L | 85 | Confident | 80.1 | Confident | 7 Ų | 7 | 45.8 Ų | 45.8 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.9 | -43.6 | -178.6 | -66.7 | 164.8 | 0 | 0 | 0 | 111.6 | A1138 D1139 E1142 R1176 T1177 R1183 A1184 | A1138-L1180 HydrophobicContact CB-CB 3.85Å; A1138-L1180 HydrophobicContact CB-CD1 3.91Å; D1139-L1180 HydrophobicContact CB-CD1 4.4Å; D1139-L1180 WeakPolarHBondContact OD1-CD1 3.48Å; E1142-L1180 HydrophobicContact CB-CB 4.47Å; R1176-L1180 HydrophobicContact CG-CD1 4.31Å; R1176-L1180 WeakPolarHBondContact O-CG 3.47Å; R1176-L1180 PolarHBondContact O-N 3.29Å; T1177-L1180 PolarHBondContact O-N 3.28Å; L1180-R1183 PolarHBondContact O-N 3.42Å; L1180-A1184 PolarHBondContact O-N 2.95Å |
| 1181 | I | 89 | Confident | 80.4 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.4 | -45.1 | 177.6 | -72.5 | 173.7 | 0 | 0 | 0 | 111.5 | L1146 L1149 I1157 L1161 V1164 T1177 Y1179 R1183 A1184 F1185 | L1146-I1181 HydrophobicContact CD1-CG2 3.95Å; L1149-I1181 HydrophobicContact CD1-CD1 3.68Å; L1149-I1181 HydrophobicContact CD1-CG1 4.38Å; I1157-I1181 HydrophobicContact CD1-CG2 3.99Å; L1161-I1181 HydrophobicContact CD2-CB 4.19Å; L1161-I1181 HydrophobicContact CD2-CG2 3.78Å; V1164-I1181 HydrophobicContact CB-CD1 4.45Å; V1164-I1181 HydrophobicContact CG1-CD1 4.25Å; V1164-I1181 HydrophobicContact CG2-CD1 3.74Å; T1177-I1181 HydrophobicContact CG2-CD1 4.07Å; T1177-I1181 WeakPolarHBondContact O-CB 3.37Å; T1177-I1181 WeakPolarHBondContact O-CG1 3.3Å; T1177-I1181 PolarHBondContact O-N 3.07Å; Y1179-I1181 PolarHBondContact O-N 3.31Å; I1181-R1183 VanDerWaalsContact C-N 3.35Å; I1181-A1184 WeakPolarHBondContact O-CB 3.25Å; I1181-A1184 PolarHBondContact O-N 3.26Å; I1181-F1185 PolarHBondContact O-N 3.16Å |
| 1182 | L | 89 | Confident | 80.7 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.8 | -35.6 | 176.8 | -74.9 | 174.3 | 0 | 0 | 0 | 112.1 | I1157 L1161 T1178 Y1179 A1184 F1185 F1186 I1231 L1234 F1235 L1238 | I1157-L1182 HydrophobicContact CG1-CD2 4.17Å; L1161-L1182 HydrophobicContact CD1-CD1 4.21Å; L1161-L1182 HydrophobicContact CD1-CD2 3.95Å; L1161-L1182 HydrophobicContact CD1-CG 4.08Å; T1178-L1182 HydrophobicContact CG2-CD1 4.06Å; T1178-L1182 WeakPolarHBondContact O-CB 3.38Å; T1178-L1182 WeakPolarHBondContact O-CG 3.35Å; T1178-L1182 PolarHBondContact O-N 3.29Å; Y1179-L1182 PolarHBondContact O-N 2.92Å; L1182-A1184 VanDerWaalsContact C-N 3.33Å; L1182-A1184 PolarHBondContact O-N 3.13Å; L1182-F1185 WeakPolarHBondContact O-CB 3.36Å; L1182-F1185 PolarHBondContact O-N 2.96Å; L1182-F1186 VanDerWaalsContact O-CD2 3.3Å; L1182-F1186 WeakPolarHBondContact O-CD2 3.4Å; L1182-F1186 PolarHBondContact O-N 3.06Å; L1182-I1231 HydrophobicContact CD2-CG2 3.58Å; L1182-L1234 HydrophobicContact CD1-CD2 4.12Å; L1182-L1234 HydrophobicContact CD1-CG 4.31Å; L1182-F1235 HydrophobicContact CB-CD2 3.53Å; L1182-F1235 HydrophobicContact CB-CE2 4.09Å; L1182-F1235 HydrophobicContact CB-CG 4.31Å; L1182-F1235 HydrophobicContact CD1-CB 4.44Å; L1182-L1238 HydrophobicContact CD1-CD1 3.69Å |
| 1183 | R | 87 | Confident | 80.7 | Confident | 54 Ų | 54 | 36.7 Ų | 36.7 | 20% | 0.204 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.6 | -43.8 | 174.6 | -163.9 | 172.2 | 89.2 | 167 | -3 | 111.3 | E1142 Y1179 L1180 I1181 F1186 K1187 F1235 E1243 E1249 | E1142-R1183 VanDerWaalsContact CD-NE 3.35Å; E1142-R1183 IonicContact OE1-CZ 3.51Å; E1142-R1183 IonicContact OE1-NE 3.54Å; E1142-R1183 PolarHBondContact OE1-NE 3.22Å; E1142-R1183 IonicContact OE1-NH2 3.16Å; E1142-R1183 PolarHBondContact OE1-NH2 3.33Å; E1142-R1183 IonicContact OE2-CZ 2.89Å; E1142-R1183 VanDerWaalsContact OE2-CZ 3.23Å; E1142-R1183 IonicContact OE2-NE 2.76Å; E1142-R1183 PolarHBondContact OE2-NE 3.08Å; E1142-R1183 IonicContact OE2-NH2 3.61Å; E1142-R1183 PolarHBondContact OE2-NH2 2.97Å; Y1179-R1183 WeakPolarHBondContact O-CB 3.31Å; Y1179-R1183 PolarHBondContact O-N 2.86Å; Y1179-R1183 WeakPolarHBondContact OH-CD 3.36Å; Y1179-R1183 PolarHBondContact OH-NH1 3.34Å; L1180-R1183 PolarHBondContact O-N 3.42Å; I1181-R1183 VanDerWaalsContact C-N 3.35Å; R1183-F1186 PolarHBondContact O-N 3.04Å; R1183-K1187 WeakPolarHBondContact O-CB 3.34Å; R1183-K1187 PolarHBondContact O-N 3.09Å; R1183-F1235 HydrophobicContact CB-CE2 3.89Å; R1183-F1235 HydrophobicContact CB-CZ 4.07Å; R1183-F1235 HydrophobicContact CG-CE2 4.4Å; R1183-F1235 HydrophobicContact CG-CZ 4.11Å; R1183-E1243 IonicContact NH1-OE1 2.63Å; R1183-E1249 IonicContact NH1-OE1 2.68Å; R1183-E1249 IonicContact NH1-OE2 3.68Å |
| 1184 | A | 85.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.3 | -45.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1142 L1146 L1180 I1181 L1182 F1186 K1187 C1188 | E1142-A1184 VanDerWaalsContact C-CB 3.41Å; E1142-A1184 HydrophobicContact CB-CB 3.87Å; E1142-A1184 HydrophobicContact CG-CB 3.92Å; E1142-A1184 WeakPolarHBondContact O-CB 3.36Å; L1146-A1184 HydrophobicContact CB-CB 4.14Å; L1146-A1184 HydrophobicContact CD2-CB 4.04Å; L1180-A1184 PolarHBondContact O-N 2.95Å; I1181-A1184 WeakPolarHBondContact O-CB 3.25Å; I1181-A1184 PolarHBondContact O-N 3.26Å; L1182-A1184 VanDerWaalsContact C-N 3.33Å; L1182-A1184 PolarHBondContact O-N 3.13Å; A1184-F1186 PolarHBondContact O-N 3.08Å; A1184-K1187 PolarHBondContact O-N 3.44Å; A1184-C1188 WeakPolarHBondContact O-CB 3.31Å; A1184-C1188 PolarHBondContact O-N 3.08Å; A1184-C1188 PolarHBondContact O-SG 3.15Å |
| 1185 | F | 89 | Confident | 79.5 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.4 | -50.1 | 179.4 | -179.1 | -96 | 0 | 0 | 0 | 111.6 | L1146 I1157 I1181 L1182 C1188 R1189 F1223 L1224 | L1146-F1185 HydrophobicContact CD2-CB 3.84Å; L1146-F1185 HydrophobicContact CD2-CD2 4.31Å; I1157-F1185 HydrophobicContact CB-CD2 4.32Å; I1157-F1185 HydrophobicContact CB-CE2 4.13Å; I1157-F1185 HydrophobicContact CD1-CB 4.32Å; I1157-F1185 HydrophobicContact CD1-CD2 3.91Å; I1157-F1185 HydrophobicContact CD1-CG 4.25Å; I1157-F1185 HydrophobicContact CG1-CD2 4.03Å; I1157-F1185 HydrophobicContact CG1-CE2 4.3Å; I1157-F1185 HydrophobicContact CG1-CG 4.28Å; I1157-F1185 HydrophobicContact CG2-CE2 4.35Å; I1157-F1185 HydrophobicContact CG2-CZ 4.37Å; I1181-F1185 PolarHBondContact O-N 3.16Å; L1182-F1185 WeakPolarHBondContact O-CB 3.36Å; L1182-F1185 PolarHBondContact O-N 2.96Å; F1185-C1188 PolarHBondContact O-N 3.37Å; F1185-R1189 WeakPolarHBondContact O-CB 3.48Å; F1185-R1189 PolarHBondContact O-N 3.34Å; F1185-R1189 VanDerWaalsContact O-N 3.13Å; F1185-F1223 HydrophobicContact CD2-CD1 4.49Å; F1185-F1223 AromaticContact CD2-CE1 3.69Å; F1185-F1223 HydrophobicContact CD2-CE1 3.69Å; F1185-F1223 AromaticContact CD2-CZ 3.94Å; F1185-F1223 HydrophobicContact CD2-CZ 3.94Å; F1185-F1223 HydrophobicContact CE2-CD1 4.16Å; F1185-F1223 AromaticContact CE2-CE1 3.73Å; F1185-F1223 HydrophobicContact CE2-CE1 3.73Å; F1185-F1223 AromaticContact CE2-CZ 3.96Å; F1185-F1223 HydrophobicContact CE2-CZ 3.96Å; F1185-L1224 HydrophobicContact CD2-CD2 3.8Å; F1185-L1224 HydrophobicContact CE2-CD2 3.85Å; F1185-L1224 HydrophobicContact CG-CD2 4.5Å |
| 1186 | F | 86.8 | Confident | 78.1 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -72.1 | -29.6 | 179.5 | -76.5 | -69.8 | 0 | 0 | 0 | 113.7 | L1182 R1183 A1184 K1190 I1231 T1232 F1235 F1253 Y1257 | L1182-F1186 VanDerWaalsContact O-CD2 3.3Å; L1182-F1186 WeakPolarHBondContact O-CD2 3.4Å; L1182-F1186 PolarHBondContact O-N 3.06Å; R1183-F1186 PolarHBondContact O-N 3.04Å; A1184-F1186 PolarHBondContact O-N 3.08Å; F1186-K1190 PolarHBondContact O-N 3.47Å; F1186-K1190 VanDerWaalsContact O-N 3.14Å; F1186-I1231 HydrophobicContact CE2-CG2 4.25Å; F1186-I1231 HydrophobicContact CZ-CG2 4.26Å; F1186-T1232 HydrophobicContact CE1-CG2 4.49Å; F1186-T1232 HydrophobicContact CZ-CG2 4.34Å; F1186-F1235 HydrophobicContact CB-CE1 4.24Å; F1186-F1235 HydrophobicContact CD2-CB 4.07Å; F1186-F1235 AromaticContact CD2-CD1 3.38Å; F1186-F1235 HydrophobicContact CD2-CD1 3.38Å; F1186-F1235 HydrophobicContact CD2-CD2 4.19Å; F1186-F1235 AromaticContact CD2-CE1 3.78Å; F1186-F1235 HydrophobicContact CD2-CE1 3.78Å; F1186-F1235 AromaticContact CD2-CG 3.6Å; F1186-F1235 HydrophobicContact CD2-CG 3.6Å; F1186-F1235 HydrophobicContact CD2-CZ 4.36Å; F1186-F1235 HydrophobicContact CE2-CB 3.57Å; F1186-F1235 AromaticContact CE2-CD1 3.69Å; F1186-F1235 HydrophobicContact CE2-CD1 3.69Å; F1186-F1235 HydrophobicContact CE2-CD2 4.48Å; F1186-F1235 AromaticContact CE2-CG 3.66Å; F1186-F1235 HydrophobicContact CE2-CG 3.66Å; F1186-F1235 HydrophobicContact CG-CD1 4.12Å; F1186-F1235 HydrophobicContact CG-CE1 4.23Å; F1186-F1235 HydrophobicContact CZ-CB 4.48Å; F1186-F1253 HydrophobicContact CB-CE2 4.03Å; F1186-F1253 AromaticContact CD1-CE2 3.75Å; F1186-F1253 HydrophobicContact CD1-CE2 3.75Å; F1186-F1253 AromaticContact CD1-CZ 4Å; F1186-F1253 HydrophobicContact CD1-CZ 4Å; F1186-F1253 HydrophobicContact CD2-CE2 4.29Å; F1186-F1253 HydrophobicContact CD2-CZ 4.5Å; F1186-F1253 HydrophobicContact CE1-CE2 4.28Å; F1186-F1253 HydrophobicContact CE1-CZ 4.04Å; F1186-F1253 AromaticContact CG-CE2 3.76Å; F1186-F1253 HydrophobicContact CG-CE2 3.76Å; F1186-F1253 HydrophobicContact CG-CZ 4.24Å; F1186-F1253 HydrophobicContact CZ-CZ 4.33Å; F1186-Y1257 PolarHBondContact O-OH 3.25Å |
| 1187 | K | 83.5 | Confident | 76.4 | Confident | 98 Ų | 98 | 50.2 Ų | 50.2 | 43% | 0.426 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.2 | -51.2 | 169.8 | -93.8 | -177.2 | -179.3 | 166.4 | 0 | 111.7 | E1142 R1183 A1184 R1189 K1190 V1191 | E1142-K1187 WeakPolarHBondContact OE1-CD 3.37Å; E1142-K1187 IonicContact OE1-NZ 2.74Å; E1142-K1187 PolarHBondContact OE1-NZ 3.32Å; R1183-K1187 WeakPolarHBondContact O-CB 3.34Å; R1183-K1187 PolarHBondContact O-N 3.09Å; A1184-K1187 PolarHBondContact O-N 3.44Å; K1187-R1189 PolarHBondContact O-N 3.18Å; K1187-K1190 PolarHBondContact O-N 3.44Å; K1187-K1190 VanDerWaalsContact O-N 3.15Å; K1187-V1191 PolarHBondContact O-N 2.99Å |
| 1188 | C | 82.2 | Confident | 74.5 | Confident | 8 Ų | 8 | 55.4 Ų | 55.4 | 5% | 0.054 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54.4 | -41 | 177.2 | -73.5 | 0 | 0 | 0 | 0 | 111.5 | E1143 A1184 F1185 V1191 L1224 | E1143-C1188 WeakPolarHBondContact CG-SG 3.49Å; A1184-C1188 WeakPolarHBondContact O-CB 3.31Å; A1184-C1188 PolarHBondContact O-N 3.08Å; A1184-C1188 PolarHBondContact O-SG 3.15Å; F1185-C1188 PolarHBondContact O-N 3.37Å; C1188-V1191 PolarHBondContact O-N 3.01Å; C1188-L1224 HydrophobicContact CB-CD1 3.89Å; C1188-L1224 HydrophobicContact CB-CD2 3.74Å |
| 1189 | R | 82.4 | Confident | 72.1 | Confident | 28 Ų | 28 | 59.3 Ų | 59.3 | 11% | 0.106 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.4 | -39.4 | -178.9 | -166.4 | -179.5 | 156.1 | 79.9 | 10.5 | 112.9 | F1185 K1187 V1191 I1192 Y1193 L1224 Y1227 | F1185-R1189 WeakPolarHBondContact O-CB 3.48Å; F1185-R1189 PolarHBondContact O-N 3.34Å; F1185-R1189 VanDerWaalsContact O-N 3.13Å; K1187-R1189 PolarHBondContact O-N 3.18Å; R1189-V1191 VanDerWaalsContact C-N 3.28Å; R1189-V1191 PolarHBondContact O-N 3.31Å; R1189-I1192 PolarHBondContact O-N 3.36Å; R1189-Y1193 PolarHBondContact O-N 3.41Å; R1189-Y1193 VanDerWaalsContact O-N 3.11Å; R1189-L1224 PolarHBondContact NH1-O 3.28Å; R1189-Y1227 VanDerWaalsContact CZ-CZ 3.48Å; R1189-Y1227 PolarHBondContact NH2-OH 3.13Å |
| 1190 | K | 74.9 | Confident | 69.5 | Low | 86 Ų | 86 | 66.4 Ų | 66.4 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.7 | -37.9 | 178.3 | -171.9 | 169.2 | 179.2 | 163.3 | 0 | 112.1 | F1186 K1187 I1192 Y1193 N1194 S1256 Y1257 | F1186-K1190 PolarHBondContact O-N 3.47Å; F1186-K1190 VanDerWaalsContact O-N 3.14Å; K1187-K1190 PolarHBondContact O-N 3.44Å; K1187-K1190 VanDerWaalsContact O-N 3.15Å; K1190-I1192 PolarHBondContact O-N 3.24Å; K1190-Y1193 PolarHBondContact O-N 3.31Å; K1190-N1194 PolarHBondContact O-N 3.47Å; K1190-N1194 VanDerWaalsContact O-N 3.08Å; K1190-S1256 PolarHBondContact NZ-OG 3.49Å; K1190-Y1257 PolarHBondContact N-OH 2.93Å |
| 1191 | V | 71.3 | Confident | 66.8 | Low | 93 Ų | 93 | 70.7 Ų | 70.7 | 56% | 0.564 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.8 | -40 | 178.4 | 179.5 | 0 | 0 | 0 | 0 | 111.7 | K1187 C1188 R1189 H1195 | K1187-V1191 PolarHBondContact O-N 2.99Å; C1188-V1191 PolarHBondContact O-N 3.01Å; R1189-V1191 VanDerWaalsContact C-N 3.28Å; R1189-V1191 PolarHBondContact O-N 3.31Å; V1191-H1195 PolarHBondContact O-N 3.03Å |
| 1192 | I | 68.4 | Low | 63.9 | Low | 40 Ų | 40 | 80 Ų | 80 | 21% | 0.205 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -68.7 | -40.2 | 177.3 | -63.2 | 177 | 0 | 0 | 0 | 111 | R1189 K1190 H1195 H1196 K1221 L1224 | R1189-I1192 PolarHBondContact O-N 3.36Å; K1190-I1192 PolarHBondContact O-N 3.24Å; I1192-H1195 PolarHBondContact O-N 3.49Å; I1192-H1196 PolarHBondContact O-CD2 2.96Å; I1192-H1196 PolarHBondContact O-N 3.38Å; I1192-K1221 HydrophobicContact CD1-CG 4.29Å; I1192-L1224 HydrophobicContact CD1-CB 4.33Å; I1192-L1224 HydrophobicContact CD1-CD1 3.41Å; I1192-L1224 VanDerWaalsContact CD1-CD1 3.41Å |
| 1193 | Y | 61 | Low | 61.1 | Low | 135 Ų | 135 | 89.2 Ų | 89.2 | 53% | 0.529 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66 | -40.2 | -179.3 | -148.7 | -88.4 | 0 | 0 | 0 | 112.2 | R1189 K1190 H1195 H1196 | R1189-Y1193 PolarHBondContact O-N 3.41Å; R1189-Y1193 VanDerWaalsContact O-N 3.11Å; K1190-Y1193 PolarHBondContact O-N 3.31Å; Y1193-H1195 VanDerWaalsContact C-N 3.35Å; Y1193-H1195 PolarHBondContact O-N 2.86Å; Y1193-H1196 PolarHBondContact O-N 3.16Å |
| 1194 | N | 57.9 | Low | 58.1 | Low | 87 Ų | 87 | 92.8 Ų | 92.8 | 47% | 0.465 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.7 | -32.5 | 177.4 | -76.4 | -8.5 | 0 | 0 | 0 | 113.1 | K1190 H1196 Q1197 | K1190-N1194 PolarHBondContact O-N 3.47Å; K1190-N1194 VanDerWaalsContact O-N 3.08Å; N1194-H1196 VanDerWaalsContact C-N 3.28Å; N1194-H1196 PolarHBondContact O-N 3.41Å; N1194-Q1197 PolarHBondContact O-N 3.32Å |
| 1195 | H | 55.3 | Low | 55.5 | Low | 136 Ų | 136 | 98.4 Ų | 98.4 | 63% | 0.63 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.9 | -24.8 | 175.3 | -100 | 67.9 | 0 | 0 | 0 | 113.6 | V1191 I1192 Y1193 T1198 T1199 | V1191-H1195 PolarHBondContact O-N 3.03Å; I1192-H1195 PolarHBondContact O-N 3.49Å; Y1193-H1195 VanDerWaalsContact C-N 3.35Å; Y1193-H1195 PolarHBondContact O-N 2.86Å; H1195-T1198 PolarHBondContact O-OG1 2.97Å; H1195-T1199 PolarHBondContact O-OG1 3.14Å; H1195-T1199 VanDerWaalsContact O-OG1 3.05Å |
| 1196 | H | 52.6 | Low | 52.8 | Low | 119 Ų | 119 | 104.5 Ų | 104.5 | 55% | 0.551 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -81.7 | -18.7 | 176.9 | -82.9 | -62.4 | 0 | 0 | 0 | 113.8 | I1192 Y1193 N1194 | I1192-H1196 PolarHBondContact O-CD2 2.96Å; I1192-H1196 PolarHBondContact O-N 3.38Å; Y1193-H1196 PolarHBondContact O-N 3.16Å; N1194-H1196 VanDerWaalsContact C-N 3.28Å; N1194-H1196 PolarHBondContact O-N 3.41Å |
| 1197 | Q | 44.8 | Very low | 50 | Low | 140 Ų | 140 | 111.8 Ų | 111.8 | 65% | 0.654 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -84.2 | -24.1 | 176.9 | -78.8 | -169.8 | -2.4 | 0 | 0 | 113.9 | N1194 | N1194-Q1197 PolarHBondContact O-N 3.32Å |
| 1198 | T | 43.7 | Very low | 47.5 | Very low | 109 Ų | 109 | 111.8 Ų | 111.8 | 67% | 0.669 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -4.3 | 179.9 | 46.7 | 0 | 0 | 0 | 0 | 114.1 | H1195 | H1195-T1198 PolarHBondContact O-OG1 2.97Š|
| 1199 | T | 37.4 | Very low | 45 | Very low | 93 Ų | 93 | 116.3 Ų | 116.3 | 57% | 0.571 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | 29.6 | -173.5 | 45.6 | 0 | 0 | 0 | 0 | 114.2 | H1195 | H1195-T1199 PolarHBondContact O-OG1 3.14Å; H1195-T1199 VanDerWaalsContact O-OG1 3.05Å |
| 1200 | N | 34.2 | Very low | 42.4 | Very low | 156 Ų | 156 | 122 Ų | 122 | 83% | 0.834 | 67% | 0.673 | S | S | * | * | trans | -101.4 | 48.7 | 168.7 | -86.5 | -11.1 | 0 | 0 | 0 | 112.3 | ||||
| 1201 | S | 28 | Very low | 40.2 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 68% | 0.678 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -142.2 | 116.2 | 162.4 | 58.5 | 0 | 0 | 0 | 0 | 109.5 | ||
| 1202 | E | 28.6 | Very low | 38.5 | Very low | 195 Ų | 195 | 129.5 Ų | 129.5 | 91% | 0.911 | 71% | 0.708 | S | S | * | * | trans | 81.1 | 121.5 | 164.1 | -61.3 | -175.6 | 166.5 | 0 | 0 | 119.4 | ||||
| 1203 | E | 28.4 | Very low | 37 | Very low | 193 Ų | 193 | 133 Ų | 133 | 90% | 0.902 | 73% | 0.731 | S | S | * | * | trans | -52.4 | 127.5 | 163.8 | -62.5 | 171 | 145.3 | 0 | 0 | 110.9 | ||||
| 1204 | C | 25.6 | Very low | 35.9 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 88% | 0.878 | 74% | 0.736 | S | S | * | * | trans | -148.1 | 139.1 | 152.3 | -101.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1205 | T | 28.9 | Very low | 35.3 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | trans | -61.5 | 151.3 | -167.4 | 45.1 | 0 | 0 | 0 | 0 | 114.8 | D1207 | T1205-D1207 PolarHBondContact O-N 3.36Š| ||
| 1206 | P | 34.1 | Very low | 35.1 | Very low | 127 Ų | 127 | 131 Ų | 131 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | trans | -87.5 | 104.7 | 174 | 33 | -26.5 | 0 | 0 | 0 | 110 | ||||
| 1207 | D | 26.8 | Very low | 35.1 | Very low | 159 Ų | 159 | 128.8 Ų | 128.8 | 85% | 0.85 | 73% | 0.732 | S | S | * | * | trans | -87.7 | 137.1 | 163.9 | -88.7 | -25.1 | 0 | 0 | 0 | 110.9 | T1205 | T1205-D1207 PolarHBondContact O-N 3.36Š| ||
| 1208 | A | 30.6 | Very low | 35.6 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | -91.8 | 123.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1209 | S | 29.6 | Very low | 36.8 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | trans | -176.5 | 119.4 | 143.2 | 54.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 1210 | D | 27.9 | Very low | 38.7 | Very low | 147 Ų | 147 | 125.3 Ų | 125.3 | 79% | 0.786 | 70% | 0.7 | S | S | * | * | trans | 59.7 | 109.5 | 139 | -49.4 | -26.1 | 0 | 0 | 0 | 121.3 | ||||
| 1211 | D | 29.9 | Very low | 40.6 | Very low | 136 Ų | 136 | 123.4 Ų | 123.4 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | 178.7 | 136.6 | 111 | -94.2 | -20.8 | 0 | 0 | 0 | 113.3 | T1213 | D1211-T1213 VanDerWaalsContact C-N 3.27Å; D1211-T1213 PolarHBondContact O-N 3.49Å | |||
| 1212 | E | 34.8 | Very low | 42.9 | Very low | 202 Ų | 202 | 125.6 Ų | 125.6 | 94% | 0.944 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -69.6 | 23 | -163.5 | -65.2 | -175.3 | 137.5 | 0 | 0 | 117.7 | ||
| 1213 | T | 38.2 | Very low | 45.5 | Very low | 113 Ų | 113 | 117.1 Ų | 117.1 | 69% | 0.693 | 64% | 0.642 | S | S | * | * | trans | -91.8 | 6.2 | 179.9 | 47.8 | 0 | 0 | 0 | 0 | 115 | D1211 | D1211-T1213 VanDerWaalsContact C-N 3.27Å; D1211-T1213 PolarHBondContact O-N 3.49Å | ||
| 1214 | F | 36.6 | Very low | 48 | Very low | 146 Ų | 146 | 108 Ų | 108 | 64% | 0.64 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -87.5 | -4.4 | -168 | -101.1 | -86.4 | 0 | 0 | 0 | 117.1 | T1217 K1218 | F1214-T1217 PolarHBondContact O-OG1 3.29Å; F1214-K1218 WeakPolarHBondContact O-CB 3.42Å; F1214-K1218 PolarHBondContact O-N 2.69Å |
| 1215 | S | 46.4 | Very low | 50.3 | Low | 83 Ų | 83 | 107.4 Ų | 107.4 | 58% | 0.58 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -77.6 | -41.3 | -172 | 82.1 | 0 | 0 | 0 | 0 | 113.8 | N1219 | S1215-N1219 PolarHBondContact O-N 3.49Å |
| 1216 | T | 50.3 | Low | 52.4 | Low | 86 Ų | 86 | 108 Ų | 108 | 53% | 0.528 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -73.1 | -37.3 | -179.7 | 43.1 | 0 | 0 | 0 | 0 | 112.5 | N1219 W1220 | T1216-N1219 PolarHBondContact O-N 3.15Å; T1216-W1220 PolarHBondContact O-N 3.47Å |
| 1217 | T | 52.7 | Low | 54.3 | Low | 73 Ų | 73 | 104.8 Ų | 104.8 | 45% | 0.448 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.3 | -33.6 | 175.7 | 39.4 | 0 | 0 | 0 | 0 | 113 | F1214 K1221 | F1214-T1217 PolarHBondContact O-OG1 3.29Å; T1217-K1221 PolarHBondContact O-N 3.48Å; T1217-K1221 VanDerWaalsContact O-N 3.1Å |
| 1218 | K | 54.4 | Low | 56.5 | Low | 151 Ų | 151 | 100.9 Ų | 100.9 | 66% | 0.657 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.2 | -44.1 | 170.6 | -100.3 | -178.7 | 174.9 | 174 | 0 | 111.6 | F1214 K1222 | F1214-K1218 WeakPolarHBondContact O-CB 3.42Å; F1214-K1218 PolarHBondContact O-N 2.69Å; K1218-K1222 PolarHBondContact O-N 3.33Å; K1218-K1222 VanDerWaalsContact O-N 3.14Å |
| 1219 | N | 69 | Low | 58.9 | Low | 76 Ų | 76 | 99.4 Ų | 99.4 | 41% | 0.406 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.4 | -40.3 | 180 | -74.4 | -14.3 | 0 | 0 | 0 | 112.2 | Y1150 S1215 T1216 K1221 K1222 F1223 | Y1150-N1219 WeakPolarHBondContact OH-CB 3.34Å; S1215-N1219 PolarHBondContact O-N 3.49Å; T1216-N1219 PolarHBondContact O-N 3.15Å; N1219-K1221 PolarHBondContact O-N 3Å; N1219-K1222 WeakPolarHBondContact O-CB 3.33Å; N1219-K1222 PolarHBondContact O-N 2.98Å; N1219-F1223 WeakPolarHBondContact O-CB 3.27Å; N1219-F1223 PolarHBondContact O-N 3.31Å |
| 1220 | W | 78 | Confident | 61.3 | Low | 42 Ų | 42 | 101.6 Ų | 101.6 | 16% | 0.159 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -62.1 | -43 | 175 | -176.2 | -108 | 0 | 0 | 0 | 113.2 | L1146 K1147 Y1150 T1216 K1222 F1223 L1224 | L1146-W1220 HydrophobicContact CD2-CH2 4.29Å; L1146-W1220 HydrophobicContact CG-CH2 3.99Å; K1147-W1220 HydrophobicContact CB-CH2 4.33Å; K1147-W1220 HydrophobicContact CD-CZ2 4.43Å; K1147-W1220 HydrophobicContact CG-CH2 3.48Å; K1147-W1220 VanDerWaalsContact CG-CH2 3.48Å; K1147-W1220 HydrophobicContact CG-CZ2 3.61Å; K1147-W1220 HydrophobicContact CG-CZ3 4.13Å; Y1150-W1220 AromaticContact CD1-CE3 3.38Å; Y1150-W1220 HydrophobicContact CD1-CE3 3.38Å; Y1150-W1220 AromaticContact CD1-CZ3 3.51Å; Y1150-W1220 HydrophobicContact CD1-CZ3 3.51Å; Y1150-W1220 AromaticContact CE1-CE3 3.68Å; Y1150-W1220 HydrophobicContact CE1-CE3 3.68Å; Y1150-W1220 HydrophobicContact CE1-CZ3 4.26Å; Y1150-W1220 AromaticContact CG-CE3 3.93Å; Y1150-W1220 HydrophobicContact CG-CE3 3.93Å; Y1150-W1220 AromaticContact CG-CZ3 3.66Å; Y1150-W1220 HydrophobicContact CG-CZ3 3.66Å; T1216-W1220 PolarHBondContact O-N 3.47Å; W1220-K1222 VanDerWaalsContact C-N 3.3Å; W1220-K1222 PolarHBondContact O-N 3.5Å; W1220-F1223 HydrophobicContact CD2-CD1 4.48Å; W1220-F1223 AromaticContact CE3-CD1 3.92Å; W1220-F1223 HydrophobicContact CE3-CD1 3.92Å; W1220-F1223 HydrophobicContact CE3-CE1 4.39Å; W1220-F1223 HydrophobicContact CH2-CD1 4.39Å; W1220-F1223 HydrophobicContact CH2-CE1 4.13Å; W1220-F1223 AromaticContact CZ3-CD1 3.88Å; W1220-F1223 HydrophobicContact CZ3-CD1 3.88Å; W1220-F1223 AromaticContact CZ3-CE1 3.86Å; W1220-F1223 HydrophobicContact CZ3-CE1 3.86Å; W1220-F1223 WeakPolarHBondContact O-CB 3.24Å; W1220-F1223 PolarHBondContact O-N 2.9Å; W1220-L1224 WeakPolarHBondContact O-CG 3.41Å; W1220-L1224 PolarHBondContact O-N 3.37Å |
| 1221 | K | 74.5 | Confident | 64.1 | Low | 117 Ų | 117 | 95.2 Ų | 95.2 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.9 | -39.4 | 174.2 | -80.9 | -173.6 | 175.4 | -178.7 | 0 | 111.9 | I1192 T1217 N1219 L1224 Q1225 | I1192-K1221 HydrophobicContact CD1-CG 4.29Å; T1217-K1221 PolarHBondContact O-N 3.48Å; T1217-K1221 VanDerWaalsContact O-N 3.1Å; N1219-K1221 PolarHBondContact O-N 3Å; K1221-L1224 PolarHBondContact O-N 2.99Å; K1221-Q1225 WeakPolarHBondContact O-CG 3.27Å; K1221-Q1225 PolarHBondContact O-N 2.92Å |
| 1222 | K | 76.5 | Confident | 66.7 | Low | 143 Ų | 143 | 88.8 Ų | 88.8 | 62% | 0.622 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -66.7 | -40.8 | 177.4 | -138.4 | 178.1 | -175.2 | -176 | 0 | 111.6 | K1218 N1219 W1220 Q1225 N1226 | K1218-K1222 PolarHBondContact O-N 3.33Å; K1218-K1222 VanDerWaalsContact O-N 3.14Å; N1219-K1222 WeakPolarHBondContact O-CB 3.33Å; N1219-K1222 PolarHBondContact O-N 2.98Å; W1220-K1222 VanDerWaalsContact C-N 3.3Å; W1220-K1222 PolarHBondContact O-N 3.5Å; K1222-Q1225 PolarHBondContact O-N 3.47Å; K1222-N1226 PolarHBondContact O-N 3.06Å |
| 1223 | F | 83.4 | Confident | 69 | Low | 16 Ų | 16 | 81.5 Ų | 81.5 | 7% | 0.07 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -57.2 | -47.9 | 173.4 | 166.8 | -100.1 | 0 | 0 | 0 | 111.9 | L1146 Y1150 I1157 I1160 F1185 N1219 W1220 Q1225 N1226 | L1146-F1223 HydrophobicContact CD1-CZ 4.2Å; L1146-F1223 HydrophobicContact CD2-CE1 4.4Å; Y1150-F1223 AromaticContact CD2-CD2 3.95Å; Y1150-F1223 HydrophobicContact CD2-CD2 3.95Å; Y1150-F1223 HydrophobicContact CD2-CE2 4.1Å; Y1150-F1223 HydrophobicContact CD2-CG 4.25Å; Y1150-F1223 HydrophobicContact CE2-CB 4.23Å; Y1150-F1223 AromaticContact CE2-CD2 3.97Å; Y1150-F1223 HydrophobicContact CE2-CD2 3.97Å; Y1150-F1223 HydrophobicContact CE2-CG 4.13Å; I1157-F1223 HydrophobicContact CB-CE2 3.96Å; I1157-F1223 HydrophobicContact CB-CZ 4.04Å; I1157-F1223 HydrophobicContact CD1-CZ 3.98Å; I1160-F1223 HydrophobicContact CD1-CE2 4.1Å; I1160-F1223 HydrophobicContact CD1-CZ 4.22Å; F1185-F1223 HydrophobicContact CD2-CD1 4.49Å; F1185-F1223 AromaticContact CD2-CE1 3.69Å; F1185-F1223 HydrophobicContact CD2-CE1 3.69Å; F1185-F1223 AromaticContact CD2-CZ 3.94Å; F1185-F1223 HydrophobicContact CD2-CZ 3.94Å; F1185-F1223 HydrophobicContact CE2-CD1 4.16Å; F1185-F1223 AromaticContact CE2-CE1 3.73Å; F1185-F1223 HydrophobicContact CE2-CE1 3.73Å; F1185-F1223 AromaticContact CE2-CZ 3.96Å; F1185-F1223 HydrophobicContact CE2-CZ 3.96Å; N1219-F1223 WeakPolarHBondContact O-CB 3.27Å; N1219-F1223 PolarHBondContact O-N 3.31Å; W1220-F1223 HydrophobicContact CD2-CD1 4.48Å; W1220-F1223 AromaticContact CE3-CD1 3.92Å; W1220-F1223 HydrophobicContact CE3-CD1 3.92Å; W1220-F1223 HydrophobicContact CE3-CE1 4.39Å; W1220-F1223 HydrophobicContact CH2-CD1 4.39Å; W1220-F1223 HydrophobicContact CH2-CE1 4.13Å; W1220-F1223 AromaticContact CZ3-CD1 3.88Å; W1220-F1223 HydrophobicContact CZ3-CD1 3.88Å; W1220-F1223 AromaticContact CZ3-CE1 3.86Å; W1220-F1223 HydrophobicContact CZ3-CE1 3.86Å; W1220-F1223 WeakPolarHBondContact O-CB 3.24Å; W1220-F1223 PolarHBondContact O-N 2.9Å; F1223-Q1225 PolarHBondContact O-N 3.37Å; F1223-N1226 PolarHBondContact O-N 3.36Å |
| 1224 | L | 79.8 | Confident | 71.4 | Confident | 3 Ų | 3 | 79.6 Ų | 79.6 | 2% | 0.016 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69.6 | -18.8 | 179.3 | -67.1 | 173 | 0 | 0 | 0 | 114 | F1185 C1188 R1189 I1192 W1220 K1221 | F1185-L1224 HydrophobicContact CD2-CD2 3.8Å; F1185-L1224 HydrophobicContact CE2-CD2 3.85Å; F1185-L1224 HydrophobicContact CG-CD2 4.5Å; C1188-L1224 HydrophobicContact CB-CD1 3.89Å; C1188-L1224 HydrophobicContact CB-CD2 3.74Å; R1189-L1224 PolarHBondContact NH1-O 3.28Å; I1192-L1224 HydrophobicContact CD1-CB 4.33Å; I1192-L1224 HydrophobicContact CD1-CD1 3.41Å; I1192-L1224 VanDerWaalsContact CD1-CD1 3.41Å; W1220-L1224 WeakPolarHBondContact O-CG 3.41Å; W1220-L1224 PolarHBondContact O-N 3.37Å; K1221-L1224 PolarHBondContact O-N 2.99Å |
| 1225 | Q | 75 | Confident | 73.8 | Confident | 117 Ų | 117 | 73 Ų | 73 | 55% | 0.547 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -86.4 | -25 | 176.8 | -76.5 | 178.2 | -4.7 | 0 | 0 | 113.5 | K1221 K1222 F1223 Y1227 | K1221-Q1225 WeakPolarHBondContact O-CG 3.27Å; K1221-Q1225 PolarHBondContact O-N 2.92Å; K1222-Q1225 PolarHBondContact O-N 3.47Å; F1223-Q1225 PolarHBondContact O-N 3.37Å; Q1225-Y1227 WeakPolarHBondContact O-CD1 3.42Å; Q1225-Y1227 PolarHBondContact O-N 2.82Å |
| 1226 | N | 73 | Confident | 75.7 | Confident | 129 Ų | 129 | 69.1 Ų | 69.1 | 69% | 0.69 | 34% | 0.338 | S | S | * | . | trans | -86.1 | 99.5 | 178.7 | -104.6 | -2.4 | 0 | 0 | 0 | 110.8 | K1222 F1223 | K1222-N1226 PolarHBondContact O-N 3.06Å; F1223-N1226 PolarHBondContact O-N 3.36Å | ||
| 1227 | Y | 72.7 | Confident | 77.5 | Confident | 61 Ų | 61 | 70.3 Ų | 70.3 | 24% | 0.239 | 33% | 0.333 | C | S | . | . | trans | -144.8 | 153.5 | 172.6 | 66.8 | -69.1 | 0 | 0 | 0 | 110.1 | R1189 Q1225 D1259 | R1189-Y1227 VanDerWaalsContact CZ-CZ 3.48Å; R1189-Y1227 PolarHBondContact NH2-OH 3.13Å; Q1225-Y1227 WeakPolarHBondContact O-CD1 3.42Å; Q1225-Y1227 PolarHBondContact O-N 2.82Å; Y1227-D1259 HydrophobicContact CE2-CB 4.26Å; Y1227-D1259 PolarHBondContact OH-OD2 3.35Å | ||
| 1228 | D | 73.8 | Confident | 79.1 | Confident | 77 Ų | 77 | 67.1 Ų | 67.1 | 41% | 0.412 | 31% | 0.313 | S | S | . | . | trans | -104.9 | 150.9 | 176.2 | -170.4 | 0 | 0 | 0 | 0 | 109.3 | K1230 I1231 T1232 | D1228-K1230 PolarHBondContact O-N 3.44Å; D1228-K1230 VanDerWaalsContact O-N 3.11Å; D1228-I1231 WeakPolarHBondContact O-CB 3.33Å; D1228-I1231 PolarHBondContact O-N 3.35Å; D1228-T1232 PolarHBondContact O-N 2.83Å | ||
| 1229 | T | 79.8 | Confident | 80.5 | Confident | 68 Ų | 68 | 60.1 Ų | 60.1 | 42% | 0.417 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -47.4 | -37.2 | 171.6 | -16 | 0 | 0 | 0 | 0 | 111.5 | I1231 T1232 E1233 | T1229-I1231 VanDerWaalsContact C-N 3.34Å; T1229-I1231 PolarHBondContact O-N 3.02Å; T1229-T1232 WeakPolarHBondContact O-CB 3.41Å; T1229-T1232 PolarHBondContact O-N 3.32Å; T1229-E1233 WeakPolarHBondContact O-CG 3.46Å; T1229-E1233 PolarHBondContact O-N 3.35Å |
| 1230 | K | 81.3 | Confident | 81.3 | Confident | 147 Ų | 147 | 57.8 Ų | 57.8 | 64% | 0.639 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -62.7 | -33.8 | 176.8 | -66.6 | -179.6 | -178.6 | 173.5 | 0 | 114.2 | D1228 L1234 | D1228-K1230 PolarHBondContact O-N 3.44Å; D1228-K1230 VanDerWaalsContact O-N 3.11Å; K1230-L1234 VanDerWaalsContact O-CB 3.27Å; K1230-L1234 WeakPolarHBondContact O-CB 3.24Å; K1230-L1234 PolarHBondContact O-N 3.46Å |
| 1231 | I | 85.9 | Confident | 81.5 | Confident | 14 Ų | 14 | 59.5 Ų | 59.5 | 7% | 0.072 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.7 | -39 | 176.9 | -64.3 | -167.3 | 0 | 0 | 0 | 109.8 | I1157 L1182 F1186 D1228 T1229 L1234 F1235 | I1157-I1231 HydrophobicContact CG2-CD1 3.44Å; I1157-I1231 VanDerWaalsContact CG2-CD1 3.44Å; L1182-I1231 HydrophobicContact CD2-CG2 3.58Å; F1186-I1231 HydrophobicContact CE2-CG2 4.25Å; F1186-I1231 HydrophobicContact CZ-CG2 4.26Å; D1228-I1231 WeakPolarHBondContact O-CB 3.33Å; D1228-I1231 PolarHBondContact O-N 3.35Å; T1229-I1231 VanDerWaalsContact C-N 3.34Å; T1229-I1231 PolarHBondContact O-N 3.02Å; I1231-L1234 PolarHBondContact O-N 3.27Å; I1231-F1235 WeakPolarHBondContact O-CB 3.44Å; I1231-F1235 PolarHBondContact O-N 3.19Å |
| 1232 | T | 84.4 | Confident | 81.7 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.5 | -46 | 174.2 | -37.9 | 0 | 0 | 0 | 0 | 110.8 | F1186 D1228 T1229 F1235 I1236 F1253 | F1186-T1232 HydrophobicContact CE1-CG2 4.49Å; F1186-T1232 HydrophobicContact CZ-CG2 4.34Å; D1228-T1232 PolarHBondContact O-N 2.83Å; T1229-T1232 WeakPolarHBondContact O-CB 3.41Å; T1229-T1232 PolarHBondContact O-N 3.32Å; T1232-F1235 PolarHBondContact O-N 3.2Å; T1232-I1236 WeakPolarHBondContact O-CG1 3.46Å; T1232-I1236 PolarHBondContact O-N 3.04Å; T1232-F1253 HydrophobicContact CG2-CE1 3.92Å; T1232-F1253 HydrophobicContact CG2-CZ 3.88Å |
| 1233 | E | 84.4 | Confident | 81.7 | Confident | 48 Ų | 48 | 51.5 Ų | 51.5 | 22% | 0.224 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.8 | -42.4 | 176.8 | -70.9 | 173 | 176.1 | 0 | 0 | 112.8 | T1229 F1235 I1236 Y1237 | T1229-E1233 WeakPolarHBondContact O-CG 3.46Å; T1229-E1233 PolarHBondContact O-N 3.35Å; E1233-F1235 VanDerWaalsContact C-N 3.28Å; E1233-F1235 PolarHBondContact O-N 3.41Å; E1233-I1236 PolarHBondContact O-N 2.99Å; E1233-Y1237 PolarHBondContact O-N 3.3Å |
| 1234 | L | 87.2 | Confident | 81.3 | Confident | 73 Ų | 73 | 54 Ų | 54 | 38% | 0.382 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.1 | -41 | 173.8 | 177.6 | 63.9 | 0 | 0 | 0 | 111 | L1182 K1230 I1231 Y1237 L1238 | L1182-L1234 HydrophobicContact CD1-CD2 4.12Å; L1182-L1234 HydrophobicContact CD1-CG 4.31Å; K1230-L1234 VanDerWaalsContact O-CB 3.27Å; K1230-L1234 WeakPolarHBondContact O-CB 3.24Å; K1230-L1234 PolarHBondContact O-N 3.46Å; I1231-L1234 PolarHBondContact O-N 3.27Å; L1234-Y1237 WeakPolarHBondContact O-CB 3.49Å; L1234-Y1237 PolarHBondContact O-N 3.31Å; L1234-L1238 HydrophobicContact CD1-CD1 4.22Å; L1234-L1238 HydrophobicContact CD1-CG 4.34Å; L1234-L1238 HydrophobicContact CG-CD1 3.92Å; L1234-L1238 HydrophobicContact CG-CG 4.46Å; L1234-L1238 WeakPolarHBondContact O-CB 3.48Å; L1234-L1238 VanDerWaalsContact O-CG 3.26Å; L1234-L1238 WeakPolarHBondContact O-CG 3.29Å; L1234-L1238 PolarHBondContact O-N 3.11Å |
| 1235 | F | 87.9 | Confident | 80.8 | Confident | 7 Ų | 7 | 56.8 Ų | 56.8 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.4 | -39.1 | 177.2 | -175.9 | -118.1 | 0 | 0 | 0 | 112.3 | Y1179 L1182 R1183 F1186 I1231 T1232 E1233 Y1237 L1238 L1239 F1253 | Y1179-F1235 HydrophobicContact CD2-CE2 4.21Å; Y1179-F1235 HydrophobicContact CE2-CE2 4.19Å; L1182-F1235 HydrophobicContact CB-CD2 3.53Å; L1182-F1235 HydrophobicContact CB-CE2 4.09Å; L1182-F1235 HydrophobicContact CB-CG 4.31Å; L1182-F1235 HydrophobicContact CD1-CB 4.44Å; R1183-F1235 HydrophobicContact CB-CE2 3.89Å; R1183-F1235 HydrophobicContact CB-CZ 4.07Å; R1183-F1235 HydrophobicContact CG-CE2 4.4Å; R1183-F1235 HydrophobicContact CG-CZ 4.11Å; F1186-F1235 HydrophobicContact CB-CE1 4.24Å; F1186-F1235 HydrophobicContact CD2-CB 4.07Å; F1186-F1235 AromaticContact CD2-CD1 3.38Å; F1186-F1235 HydrophobicContact CD2-CD1 3.38Å; F1186-F1235 HydrophobicContact CD2-CD2 4.19Å; F1186-F1235 AromaticContact CD2-CE1 3.78Å; F1186-F1235 HydrophobicContact CD2-CE1 3.78Å; F1186-F1235 AromaticContact CD2-CG 3.6Å; F1186-F1235 HydrophobicContact CD2-CG 3.6Å; F1186-F1235 HydrophobicContact CD2-CZ 4.36Å; F1186-F1235 HydrophobicContact CE2-CB 3.57Å; F1186-F1235 AromaticContact CE2-CD1 3.69Å; F1186-F1235 HydrophobicContact CE2-CD1 3.69Å; F1186-F1235 HydrophobicContact CE2-CD2 4.48Å; F1186-F1235 AromaticContact CE2-CG 3.66Å; F1186-F1235 HydrophobicContact CE2-CG 3.66Å; F1186-F1235 HydrophobicContact CG-CD1 4.12Å; F1186-F1235 HydrophobicContact CG-CE1 4.23Å; F1186-F1235 HydrophobicContact CZ-CB 4.48Å; I1231-F1235 WeakPolarHBondContact O-CB 3.44Å; I1231-F1235 PolarHBondContact O-N 3.19Å; T1232-F1235 PolarHBondContact O-N 3.2Å; E1233-F1235 VanDerWaalsContact C-N 3.28Å; E1233-F1235 PolarHBondContact O-N 3.41Å; F1235-Y1237 VanDerWaalsContact C-N 3.31Å; F1235-Y1237 PolarHBondContact O-N 3.49Å; F1235-L1238 PolarHBondContact O-N 3.29Å; F1235-L1239 HydrophobicContact CD1-CD1 3.79Å; F1235-L1239 HydrophobicContact CD1-CG 4.4Å; F1235-L1239 HydrophobicContact CE1-CD1 3.46Å; F1235-L1239 VanDerWaalsContact CE1-CD1 3.46Å; F1235-L1239 HydrophobicContact CE1-CG 4.02Å; F1235-L1239 HydrophobicContact CE2-CG 4.22Å; F1235-L1239 HydrophobicContact CG-CD1 4.46Å; F1235-L1239 HydrophobicContact CZ-CD1 3.87Å; F1235-L1239 HydrophobicContact CZ-CD2 4.17Å; F1235-L1239 HydrophobicContact CZ-CG 3.91Å; F1235-L1239 WeakPolarHBondContact O-CB 2.94Å; F1235-L1239 WeakPolarHBondContact O-CG 3.42Å; F1235-L1239 PolarHBondContact O-N 3.4Å; F1235-F1253 HydrophobicContact CD1-CD2 4.23Å; F1235-F1253 HydrophobicContact CD1-CE1 4.27Å; F1235-F1253 AromaticContact CD1-CE2 3.73Å; F1235-F1253 HydrophobicContact CD1-CE2 3.73Å; F1235-F1253 AromaticContact CD1-CZ 3.75Å; F1235-F1253 HydrophobicContact CD1-CZ 3.75Å; F1235-F1253 AromaticContact CE1-CD2 3.84Å; F1235-F1253 HydrophobicContact CE1-CD2 3.84Å; F1235-F1253 AromaticContact CE1-CE2 3.69Å; F1235-F1253 HydrophobicContact CE1-CE2 3.69Å; F1235-F1253 HydrophobicContact CE1-CG 4.45Å; F1235-F1253 HydrophobicContact CE1-CZ 4.19Å |
| 1236 | I | 86.2 | Confident | 80.4 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60 | -43.9 | 171.6 | -68.4 | 167.2 | 0 | 0 | 0 | 110.4 | T1232 E1233 L1238 L1239 V1240 L1250 F1253 L1254 Y1260 V1265 | T1232-I1236 WeakPolarHBondContact O-CG1 3.46Å; T1232-I1236 PolarHBondContact O-N 3.04Å; E1233-I1236 PolarHBondContact O-N 2.99Å; I1236-L1238 PolarHBondContact O-N 3.49Å; I1236-L1239 WeakPolarHBondContact O-CB 3.44Å; I1236-L1239 PolarHBondContact O-N 2.81Å; I1236-V1240 WeakPolarHBondContact O-CG2 3.38Å; I1236-V1240 PolarHBondContact O-N 3.47Å; I1236-L1250 HydrophobicContact CG2-CD1 4.19Å; I1236-F1253 HydrophobicContact CD1-CE1 4.27Å; I1236-F1253 HydrophobicContact CG1-CD1 4.19Å; I1236-F1253 HydrophobicContact CG1-CE1 3.94Å; I1236-L1254 HydrophobicContact CD1-CD2 4.32Å; I1236-Y1260 HydrophobicContact CD1-CD1 4.41Å; I1236-Y1260 HydrophobicContact CD1-CG 4.27Å; I1236-V1265 HydrophobicContact CD1-CG2 3.82Å; I1236-V1265 HydrophobicContact CG2-CG1 4.32Å |
| 1237 | Y | 87.8 | Confident | 80.3 | Confident | 111 Ų | 111 | 50 Ų | 50 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 176.1 | 178.6 | -99.1 | 0 | 0 | 0 | 112.6 | E1233 L1234 F1235 V1240 N1241 V1268 | E1233-Y1237 PolarHBondContact O-N 3.3Å; L1234-Y1237 WeakPolarHBondContact O-CB 3.49Å; L1234-Y1237 PolarHBondContact O-N 3.31Å; F1235-Y1237 VanDerWaalsContact C-N 3.31Å; F1235-Y1237 PolarHBondContact O-N 3.49Å; Y1237-V1240 PolarHBondContact O-N 3.35Å; Y1237-N1241 WeakPolarHBondContact CE1-ND2 2.77Å; Y1237-N1241 VanDerWaalsContact CZ-ND2 3.26Å; Y1237-N1241 PolarHBondContact O-N 2.9Å; Y1237-N1241 PolarHBondContact OH-ND2 3.41Å; Y1237-V1268 HydrophobicContact CD2-CG1 4.39Å |
| 1238 | L | 86.3 | Confident | 80.4 | Confident | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69 | -38.5 | 177.1 | -69.8 | 166.2 | 0 | 0 | 0 | 112 | T1178 Y1179 L1182 L1234 F1235 I1236 V1240 N1241 F1242 | T1178-L1238 HydrophobicContact CG2-CD1 3.83Å; Y1179-L1238 HydrophobicContact CD2-CB 4.12Å; L1182-L1238 HydrophobicContact CD1-CD1 3.69Å; L1234-L1238 HydrophobicContact CD1-CD1 4.22Å; L1234-L1238 HydrophobicContact CD1-CG 4.34Å; L1234-L1238 HydrophobicContact CG-CD1 3.92Å; L1234-L1238 HydrophobicContact CG-CG 4.46Å; L1234-L1238 WeakPolarHBondContact O-CB 3.48Å; L1234-L1238 VanDerWaalsContact O-CG 3.26Å; L1234-L1238 WeakPolarHBondContact O-CG 3.29Å; L1234-L1238 PolarHBondContact O-N 3.11Å; F1235-L1238 PolarHBondContact O-N 3.29Å; I1236-L1238 PolarHBondContact O-N 3.49Å; L1238-V1240 VanDerWaalsContact C-N 3.29Å; L1238-V1240 PolarHBondContact O-N 3.16Å; L1238-N1241 PolarHBondContact O-N 3.36Å; L1238-N1241 VanDerWaalsContact O-N 3.13Å; L1238-F1242 HydrophobicContact CB-CD2 4.38Å; L1238-F1242 HydrophobicContact CD2-CD2 4.17Å; L1238-F1242 HydrophobicContact CD2-CE2 3.76Å; L1238-F1242 WeakPolarHBondContact O-CD2 3.28Å; L1238-F1242 PolarHBondContact O-N 3.04Å |
| 1239 | L | 84.5 | Confident | 80.7 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.5 | -45.4 | 171.3 | -84.6 | 166.6 | 0 | 0 | 0 | 110.5 | Y1179 F1235 I1236 N1241 E1243 E1249 L1250 F1253 | Y1179-L1239 HydrophobicContact CE2-CD2 4.09Å; Y1179-L1239 HydrophobicContact CE2-CG 4.47Å; F1235-L1239 HydrophobicContact CD1-CD1 3.79Å; F1235-L1239 HydrophobicContact CD1-CG 4.4Å; F1235-L1239 HydrophobicContact CE1-CD1 3.46Å; F1235-L1239 VanDerWaalsContact CE1-CD1 3.46Å; F1235-L1239 HydrophobicContact CE1-CG 4.02Å; F1235-L1239 HydrophobicContact CE2-CG 4.22Å; F1235-L1239 HydrophobicContact CG-CD1 4.46Å; F1235-L1239 HydrophobicContact CZ-CD1 3.87Å; F1235-L1239 HydrophobicContact CZ-CD2 4.17Å; F1235-L1239 HydrophobicContact CZ-CG 3.91Å; F1235-L1239 WeakPolarHBondContact O-CB 2.94Å; F1235-L1239 WeakPolarHBondContact O-CG 3.42Å; F1235-L1239 PolarHBondContact O-N 3.4Å; I1236-L1239 WeakPolarHBondContact O-CB 3.44Å; I1236-L1239 PolarHBondContact O-N 2.81Å; L1239-N1241 VanDerWaalsContact C-N 3.27Å; L1239-N1241 PolarHBondContact O-N 2.91Å; L1239-E1243 HydrophobicContact CD2-CG 3.72Å; L1239-E1243 WeakPolarHBondContact O-CA 3.35Å; L1239-E1243 VanDerWaalsContact O-CB 3.24Å; L1239-E1243 WeakPolarHBondContact O-CB 3.41Å; L1239-E1243 PolarHBondContact O-N 2.74Å; L1239-E1249 HydrophobicContact CD2-CB 4.31Å; L1239-L1250 HydrophobicContact CB-CD1 4.3Å; L1239-L1250 HydrophobicContact CD1-CD1 4.18Å; L1239-F1253 HydrophobicContact CD1-CB 4.47Å; L1239-F1253 HydrophobicContact CD1-CG 4.38Å |
| 1240 | V | 83.9 | Confident | 80.9 | Confident | 27 Ų | 27 | 46.3 Ų | 46.3 | 16% | 0.164 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.5 | -32.9 | 177.7 | 168.8 | 0 | 0 | 0 | 0 | 112.8 | I1236 Y1237 L1238 L1250 V1268 L1269 Y1274 | I1236-V1240 WeakPolarHBondContact O-CG2 3.38Å; I1236-V1240 PolarHBondContact O-N 3.47Å; Y1237-V1240 PolarHBondContact O-N 3.35Å; L1238-V1240 VanDerWaalsContact C-N 3.29Å; L1238-V1240 PolarHBondContact O-N 3.16Å; V1240-L1250 HydrophobicContact CG2-CD2 4.19Å; V1240-V1268 HydrophobicContact CG2-CG1 4.35Å; V1240-L1269 HydrophobicContact CG2-CD2 3.56Å; V1240-Y1274 HydrophobicContact CG1-CE2 3.92Å; V1240-Y1274 HydrophobicContact CG2-CE2 4.32Å; V1240-Y1274 PolarHBondContact O-OH 3.49Å; V1240-Y1274 VanDerWaalsContact O-OH 3.07Å |
| 1241 | N | 82.6 | Confident | 80.9 | Confident | 79 Ų | 79 | 39.4 Ų | 39.4 | 42% | 0.422 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -83.9 | -35.2 | -178.8 | -74.8 | -22.3 | 0 | 0 | 0 | 114.1 | Y1237 L1238 L1239 | Y1237-N1241 WeakPolarHBondContact CE1-ND2 2.77Å; Y1237-N1241 VanDerWaalsContact CZ-ND2 3.26Å; Y1237-N1241 PolarHBondContact O-N 2.9Å; Y1237-N1241 PolarHBondContact OH-ND2 3.41Å; L1238-N1241 PolarHBondContact O-N 3.36Å; L1238-N1241 VanDerWaalsContact O-N 3.13Å; L1239-N1241 VanDerWaalsContact C-N 3.27Å; L1239-N1241 PolarHBondContact O-N 2.91Å |
| 1242 | F | 79.7 | Confident | 80.7 | Confident | 53 Ų | 53 | 41.3 Ų | 41.3 | 23% | 0.232 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -104.1 | -28.6 | -172.5 | -72.2 | -72.9 | 0 | 0 | 0 | 113.9 | Q1175 R1176 Y1179 L1238 | Q1175-F1242 VanDerWaalsContact C-CZ 3.44Å; Q1175-F1242 HydrophobicContact CB-CE2 3.86Å; Q1175-F1242 HydrophobicContact CB-CZ 3.6Å; Q1175-F1242 WeakPolarHBondContact O-CE2 3.44Å; R1176-F1242 HydrophobicContact CB-CE1 3.84Å; R1176-F1242 HydrophobicContact CB-CZ 4.05Å; R1176-F1242 HydrophobicContact CG-CE1 4.24Å; Y1179-F1242 HydrophobicContact CD1-CB 3.85Å; Y1179-F1242 HydrophobicContact CD1-CD2 4.25Å; Y1179-F1242 HydrophobicContact CD1-CG 4.01Å; Y1179-F1242 HydrophobicContact CD2-CB 4.24Å; Y1179-F1242 HydrophobicContact CD2-CD2 4.3Å; Y1179-F1242 HydrophobicContact CE1-CB 3.93Å; Y1179-F1242 HydrophobicContact CE2-CB 4.34Å; Y1179-F1242 HydrophobicContact CG-CB 4Å; Y1179-F1242 AromaticContact CG-CD2 3.8Å; Y1179-F1242 HydrophobicContact CG-CD2 3.8Å; Y1179-F1242 HydrophobicContact CG-CG 4.01Å; L1238-F1242 HydrophobicContact CB-CD2 4.38Å; L1238-F1242 HydrophobicContact CD2-CD2 4.17Å; L1238-F1242 HydrophobicContact CD2-CE2 3.76Å; L1238-F1242 WeakPolarHBondContact O-CD2 3.28Å; L1238-F1242 PolarHBondContact O-N 3.04Å |
| 1243 | E | 77.1 | Confident | 80.8 | Confident | 38 Ų | 38 | 42 Ų | 42 | 18% | 0.178 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -90.6 | 134.8 | 174.5 | -73.8 | -75.7 | 132.2 | 0 | 0 | 110.7 | Y1179 R1183 L1239 S1247 E1249 | Y1179-E1243 WeakPolarHBondContact OH-CG 3.44Å; Y1179-E1243 PolarHBondContact OH-OE1 3.46Å; R1183-E1243 IonicContact NH1-OE1 2.63Å; L1239-E1243 HydrophobicContact CD2-CG 3.72Å; L1239-E1243 WeakPolarHBondContact O-CA 3.35Å; L1239-E1243 VanDerWaalsContact O-CB 3.24Å; L1239-E1243 WeakPolarHBondContact O-CB 3.41Å; L1239-E1243 PolarHBondContact O-N 2.74Å; E1243-S1247 WeakPolarHBondContact OE2-CB 3.27Å; E1243-S1247 PolarHBondContact OE2-OG 2.97Å; E1243-E1249 VanDerWaalsContact CD-OE2 3.24Å |
| 1244 | P | 73.4 | Confident | 80.8 | Confident | 70 Ų | 70 | 39.7 Ų | 39.7 | 46% | 0.455 | 22% | 0.218 | S | C | . | . | trans | -64.6 | 149.1 | 175.3 | 27.5 | -33 | 0 | 0 | 0 | 110.2 | S1246 S1247 | P1244-S1246 PolarHBondContact O-N 3.14Å; P1244-S1247 WeakPolarHBondContact O-CB 3.42Å; P1244-S1247 PolarHBondContact O-N 3.45Å | ||
| 1245 | P | 69.2 | Low | 80.5 | Confident | 60 Ų | 60 | 40.4 Ų | 40.4 | 39% | 0.39 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -18.4 | -179.7 | 19.6 | -30.2 | 0 | 0 | 0 | 114.3 | S1247 K1273 Y1274 R1276 | P1245-S1247 VanDerWaalsContact C-N 3.29Å; P1245-K1273 HydrophobicContact CB-CB 4.44Å; P1245-K1273 WeakPolarHBondContact CB-O 3.37Å; P1245-Y1274 HydrophobicContact CB-CD1 4.3Å; P1245-Y1274 HydrophobicContact CB-CE1 3.9Å; P1245-R1276 PolarHBondContact O-NH2 2.92Å |
| 1246 | S | 67.3 | Low | 80.2 | Confident | 87 Ų | 87 | 42.6 Ų | 42.6 | 61% | 0.608 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -17.6 | 172.6 | 46.5 | 0 | 0 | 0 | 0 | 114 | P1244 R1276 | P1244-S1246 PolarHBondContact O-N 3.14Å; S1246-R1276 PolarHBondContact O-NH2 2.99Å |
| 1247 | S | 70.4 | Confident | 79.8 | Confident | 18 Ų | 18 | 43.2 Ų | 43.2 | 13% | 0.126 | 24% | 0.238 | C | C | . | . | trans | -60.5 | 143.5 | -179 | 176.4 | 0 | 0 | 0 | 0 | 112.9 | E1243 P1244 P1245 E1249 | E1243-S1247 WeakPolarHBondContact OE2-CB 3.27Å; E1243-S1247 PolarHBondContact OE2-OG 2.97Å; P1244-S1247 WeakPolarHBondContact O-CB 3.42Å; P1244-S1247 PolarHBondContact O-N 3.45Å; P1245-S1247 VanDerWaalsContact C-N 3.29Å; S1247-E1249 PolarHBondContact OG-N 3.4Å; S1247-E1249 VanDerWaalsContact OG-N 3.15Å | ||
| 1248 | V | 76.3 | Confident | 79.2 | Confident | 62 Ų | 62 | 45.7 Ų | 45.7 | 38% | 0.376 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -89.4 | -12.4 | 176.4 | -169.8 | 0 | 0 | 0 | 0 | 111.2 | L1250 L1251 T1252 | V1248-L1250 PolarHBondContact O-N 3.38Å; V1248-L1251 PolarHBondContact O-N 2.72Å; V1248-T1252 HydrophobicContact CG1-CG2 4.2Å; V1248-T1252 PolarHBondContact O-N 2.69Å; V1248-T1252 PolarHBondContact O-OG1 2.96Å |
| 1249 | E | 78.1 | Confident | 78.9 | Confident | 61 Ų | 61 | 48.9 Ų | 48.9 | 29% | 0.285 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.4 | -44 | -172.9 | -76.7 | -164.8 | 157.6 | 0 | 0 | 112.4 | R1183 L1239 E1243 S1247 L1251 T1252 F1253 | R1183-E1249 IonicContact NH1-OE1 2.68Å; R1183-E1249 IonicContact NH1-OE2 3.68Å; L1239-E1249 HydrophobicContact CD2-CB 4.31Å; E1243-E1249 VanDerWaalsContact CD-OE2 3.24Å; S1247-E1249 PolarHBondContact OG-N 3.4Å; S1247-E1249 VanDerWaalsContact OG-N 3.15Å; E1249-L1251 PolarHBondContact O-N 3.48Å; E1249-T1252 WeakPolarHBondContact CA-OG1 3.35Å; E1249-T1252 PolarHBondContact O-N 3.45Å; E1249-T1252 PolarHBondContact O-OG1 3.28Å; E1249-F1253 VanDerWaalsContact O-CB 3.28Å; E1249-F1253 WeakPolarHBondContact O-CB 3.41Å; E1249-F1253 PolarHBondContact O-N 3.31Å |
| 1250 | L | 84.7 | Confident | 78.9 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.5 | -48 | -179.8 | 178.4 | 63.1 | 0 | 0 | 0 | 111.5 | I1236 L1239 V1240 V1248 F1253 L1254 L1269 Y1274 E1277 | I1236-L1250 HydrophobicContact CG2-CD1 4.19Å; L1239-L1250 HydrophobicContact CB-CD1 4.3Å; L1239-L1250 HydrophobicContact CD1-CD1 4.18Å; V1240-L1250 HydrophobicContact CG2-CD2 4.19Å; V1248-L1250 PolarHBondContact O-N 3.38Å; L1250-F1253 WeakPolarHBondContact O-CB 3.39Å; L1250-F1253 PolarHBondContact O-N 2.63Å; L1250-L1254 HydrophobicContact CD1-CD1 4.43Å; L1250-L1254 HydrophobicContact CD1-CG 4.46Å; L1250-L1254 HydrophobicContact CG-CD1 4.26Å; L1250-L1254 WeakPolarHBondContact O-CG 3.48Å; L1250-L1254 PolarHBondContact O-N 2.83Å; L1250-L1269 HydrophobicContact CD2-CD1 4.49Å; L1250-L1269 HydrophobicContact CD2-CD2 3.65Å; L1250-Y1274 HydrophobicContact CD2-CD1 3.74Å; L1250-Y1274 HydrophobicContact CD2-CE1 3.89Å; L1250-Y1274 HydrophobicContact CD2-CG 4.38Å; L1250-E1277 HydrophobicContact CD2-CG 3.97Å; L1250-E1277 HydrophobicContact CG-CG 4.13Å |
| 1251 | L | 81.2 | Confident | 78.9 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.2 | -45.1 | 179.8 | -167.7 | 83.4 | 0 | 0 | 0 | 111.8 | V1248 E1249 F1253 L1254 E1255 E1277 Y1280 | V1248-L1251 PolarHBondContact O-N 2.72Å; E1249-L1251 PolarHBondContact O-N 3.48Å; L1251-F1253 PolarHBondContact O-N 2.96Å; L1251-L1254 PolarHBondContact O-N 3.28Å; L1251-L1254 VanDerWaalsContact O-N 3.17Å; L1251-E1255 WeakPolarHBondContact O-CG 3.5Å; L1251-E1255 PolarHBondContact O-N 2.83Å; L1251-E1277 HydrophobicContact CB-CG 4.02Å; L1251-E1277 VanDerWaalsContact CD1-CA 3.43Å; L1251-E1277 HydrophobicContact CD1-CB 4.01Å; L1251-E1277 HydrophobicContact CD1-CG 3.72Å; L1251-Y1280 HydrophobicContact CD1-CG 4.44Å |
| 1252 | T | 82.4 | Confident | 78.9 | Confident | 54 Ų | 54 | 53.1 Ų | 53.1 | 33% | 0.331 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.6 | -33 | 177.4 | 32 | 0 | 0 | 0 | 0 | 111.7 | V1248 E1249 S1256 | V1248-T1252 HydrophobicContact CG1-CG2 4.2Å; V1248-T1252 PolarHBondContact O-N 2.69Å; V1248-T1252 PolarHBondContact O-OG1 2.96Å; E1249-T1252 WeakPolarHBondContact CA-OG1 3.35Å; E1249-T1252 PolarHBondContact O-N 3.45Å; E1249-T1252 PolarHBondContact O-OG1 3.28Å; T1252-S1256 VanDerWaalsContact O-CB 3.28Å; T1252-S1256 WeakPolarHBondContact O-CB 3.46Å; T1252-S1256 PolarHBondContact O-N 3.34Å; T1252-S1256 PolarHBondContact O-OG 3.09Å |
| 1253 | F | 85.4 | Confident | 79 | Confident | 16 Ų | 16 | 57.6 Ų | 57.6 | 7% | 0.07 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.2 | -48.1 | 172.8 | -173.7 | -94.6 | 0 | 0 | 0 | 111.8 | F1186 T1232 F1235 I1236 L1239 E1249 L1250 L1251 E1255 S1256 Y1257 | F1186-F1253 HydrophobicContact CB-CE2 4.03Å; F1186-F1253 AromaticContact CD1-CE2 3.75Å; F1186-F1253 HydrophobicContact CD1-CE2 3.75Å; F1186-F1253 AromaticContact CD1-CZ 4Å; F1186-F1253 HydrophobicContact CD1-CZ 4Å; F1186-F1253 HydrophobicContact CD2-CE2 4.29Å; F1186-F1253 HydrophobicContact CD2-CZ 4.5Å; F1186-F1253 HydrophobicContact CE1-CE2 4.28Å; F1186-F1253 HydrophobicContact CE1-CZ 4.04Å; F1186-F1253 AromaticContact CG-CE2 3.76Å; F1186-F1253 HydrophobicContact CG-CE2 3.76Å; F1186-F1253 HydrophobicContact CG-CZ 4.24Å; F1186-F1253 HydrophobicContact CZ-CZ 4.33Å; T1232-F1253 HydrophobicContact CG2-CE1 3.92Å; T1232-F1253 HydrophobicContact CG2-CZ 3.88Å; F1235-F1253 HydrophobicContact CD1-CD2 4.23Å; F1235-F1253 HydrophobicContact CD1-CE1 4.27Å; F1235-F1253 AromaticContact CD1-CE2 3.73Å; F1235-F1253 HydrophobicContact CD1-CE2 3.73Å; F1235-F1253 AromaticContact CD1-CZ 3.75Å; F1235-F1253 HydrophobicContact CD1-CZ 3.75Å; F1235-F1253 AromaticContact CE1-CD2 3.84Å; F1235-F1253 HydrophobicContact CE1-CD2 3.84Å; F1235-F1253 AromaticContact CE1-CE2 3.69Å; F1235-F1253 HydrophobicContact CE1-CE2 3.69Å; F1235-F1253 HydrophobicContact CE1-CG 4.45Å; F1235-F1253 HydrophobicContact CE1-CZ 4.19Å; I1236-F1253 HydrophobicContact CD1-CE1 4.27Å; I1236-F1253 HydrophobicContact CG1-CD1 4.19Å; I1236-F1253 HydrophobicContact CG1-CE1 3.94Å; L1239-F1253 HydrophobicContact CD1-CB 4.47Å; L1239-F1253 HydrophobicContact CD1-CG 4.38Å; E1249-F1253 VanDerWaalsContact O-CB 3.28Å; E1249-F1253 WeakPolarHBondContact O-CB 3.41Å; E1249-F1253 PolarHBondContact O-N 3.31Å; L1250-F1253 WeakPolarHBondContact O-CB 3.39Å; L1250-F1253 PolarHBondContact O-N 2.63Å; L1251-F1253 PolarHBondContact O-N 2.96Å; F1253-E1255 VanDerWaalsContact C-N 3.29Å; F1253-E1255 PolarHBondContact O-N 3.48Å; F1253-S1256 PolarHBondContact O-N 3.22Å; F1253-S1256 VanDerWaalsContact O-N 3.14Å; F1253-Y1257 AromaticContact CD2-CD2 3.58Å; F1253-Y1257 HydrophobicContact CD2-CD2 3.58Å; F1253-Y1257 AromaticContact CD2-CE2 3.82Å; F1253-Y1257 HydrophobicContact CD2-CE2 3.82Å; F1253-Y1257 HydrophobicContact CE1-CD2 4.47Å; F1253-Y1257 AromaticContact CE2-CD2 3.41Å; F1253-Y1257 HydrophobicContact CE2-CD2 3.41Å; F1253-Y1257 VanDerWaalsContact CE2-CD2 3.41Å; F1253-Y1257 AromaticContact CE2-CE2 3.61Å; F1253-Y1257 HydrophobicContact CE2-CE2 3.61Å; F1253-Y1257 HydrophobicContact CE2-CG 4.22Å; F1253-Y1257 HydrophobicContact CG-CD2 4.2Å; F1253-Y1257 AromaticContact CZ-CD2 3.9Å; F1253-Y1257 HydrophobicContact CZ-CD2 3.9Å; F1253-Y1257 HydrophobicContact CZ-CE2 4.44Å; F1253-Y1257 HydrophobicContact CZ-CG 4.29Å; F1253-Y1257 PolarHBondContact O-N 3.45Å |
| 1254 | L | 84.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.6 | -35 | 176.6 | -67.5 | 172 | 0 | 0 | 0 | 112.5 | I1236 L1250 L1251 Y1260 V1265 L1269 E1277 Y1280 L1281 | I1236-L1254 HydrophobicContact CD1-CD2 4.32Å; L1250-L1254 HydrophobicContact CD1-CD1 4.43Å; L1250-L1254 HydrophobicContact CD1-CG 4.46Å; L1250-L1254 HydrophobicContact CG-CD1 4.26Å; L1250-L1254 WeakPolarHBondContact O-CG 3.48Å; L1250-L1254 PolarHBondContact O-N 2.83Å; L1251-L1254 PolarHBondContact O-N 3.28Å; L1251-L1254 VanDerWaalsContact O-N 3.17Å; L1254-Y1260 HydrophobicContact CD2-CD1 4.33Å; L1254-Y1260 HydrophobicContact CD2-CD2 4.4Å; L1254-Y1260 HydrophobicContact CD2-CE1 3.82Å; L1254-Y1260 HydrophobicContact CD2-CE2 3.94Å; L1254-Y1260 PolarHBondContact O-OH 3.16Å; L1254-V1265 HydrophobicContact CD2-CG1 4.13Å; L1254-L1269 HydrophobicContact CD1-CD1 4.49Å; L1254-E1277 HydrophobicContact CD1-CB 4.07Å; L1254-E1277 HydrophobicContact CD1-CG 4.38Å; L1254-Y1280 HydrophobicContact CB-CE1 4.43Å; L1254-L1281 HydrophobicContact CD1-CD1 4.4Å |
| 1255 | E | 82.2 | Confident | 79.8 | Confident | 88 Ų | 88 | 56.7 Ų | 56.7 | 41% | 0.411 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -71.5 | -35.1 | 174.8 | -72.7 | 174.3 | 170.8 | 0 | 0 | 112.6 | L1251 F1253 Y1280 | L1251-E1255 WeakPolarHBondContact O-CG 3.5Å; L1251-E1255 PolarHBondContact O-N 2.83Å; F1253-E1255 VanDerWaalsContact C-N 3.29Å; F1253-E1255 PolarHBondContact O-N 3.48Å; E1255-Y1280 HydrophobicContact CG-CD1 4.46Å; E1255-Y1280 HydrophobicContact CG-CE1 3.95Å; E1255-Y1280 HydrophobicContact CG-CE2 4.05Å |
| 1256 | S | 80.3 | Confident | 80.5 | Confident | 52 Ų | 52 | 56 Ų | 56 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -82.1 | -36 | -173.7 | -56.9 | 0 | 0 | 0 | 0 | 113.7 | K1190 T1252 F1253 | K1190-S1256 PolarHBondContact NZ-OG 3.49Å; T1252-S1256 VanDerWaalsContact O-CB 3.28Å; T1252-S1256 WeakPolarHBondContact O-CB 3.46Å; T1252-S1256 PolarHBondContact O-N 3.34Å; T1252-S1256 PolarHBondContact O-OG 3.09Å; F1253-S1256 PolarHBondContact O-N 3.22Å; F1253-S1256 VanDerWaalsContact O-N 3.14Å |
| 1257 | Y | 79.1 | Confident | 81.3 | Confident | 17 Ų | 17 | 59.9 Ų | 59.9 | 7% | 0.067 | 29% | 0.294 | C | S | . | . | trans | -111.6 | 152 | -174.4 | -68.5 | -80.5 | 0 | 0 | 0 | 110.9 | F1186 K1190 F1253 Y1260 | F1186-Y1257 PolarHBondContact O-OH 3.25Å; K1190-Y1257 PolarHBondContact N-OH 2.93Å; F1253-Y1257 AromaticContact CD2-CD2 3.58Å; F1253-Y1257 HydrophobicContact CD2-CD2 3.58Å; F1253-Y1257 AromaticContact CD2-CE2 3.82Å; F1253-Y1257 HydrophobicContact CD2-CE2 3.82Å; F1253-Y1257 HydrophobicContact CE1-CD2 4.47Å; F1253-Y1257 AromaticContact CE2-CD2 3.41Å; F1253-Y1257 HydrophobicContact CE2-CD2 3.41Å; F1253-Y1257 VanDerWaalsContact CE2-CD2 3.41Å; F1253-Y1257 AromaticContact CE2-CE2 3.61Å; F1253-Y1257 HydrophobicContact CE2-CE2 3.61Å; F1253-Y1257 HydrophobicContact CE2-CG 4.22Å; F1253-Y1257 HydrophobicContact CG-CD2 4.2Å; F1253-Y1257 AromaticContact CZ-CD2 3.9Å; F1253-Y1257 HydrophobicContact CZ-CD2 3.9Å; F1253-Y1257 HydrophobicContact CZ-CE2 4.44Å; F1253-Y1257 HydrophobicContact CZ-CG 4.29Å; F1253-Y1257 PolarHBondContact O-N 3.45Å; Y1257-Y1260 WeakPolarHBondContact O-CE1 3.49Å | ||
| 1258 | K | 75.2 | Confident | 81.8 | Confident | 162 Ų | 162 | 61.7 Ų | 61.7 | 70% | 0.704 | 30% | 0.304 | S | S | * | . | trans | -119.5 | -8.8 | -179.7 | -65.5 | -175.1 | -176.5 | 177.8 | 0 | 114 | Y1260 | K1258-Y1260 VanDerWaalsContact C-N 3.27Å; K1258-Y1260 PolarHBondContact O-N 2.91Å | ||
| 1259 | D | 78.8 | Confident | 82.2 | Confident | 74 Ų | 74 | 59.1 Ų | 59.1 | 40% | 0.396 | 29% | 0.288 | S | S | . | . | trans | -88.9 | 62 | -172 | -50.1 | -42.9 | 0 | 0 | 0 | 111.2 | Y1227 | Y1227-D1259 HydrophobicContact CE2-CB 4.26Å; Y1227-D1259 PolarHBondContact OH-OD2 3.35Å | ||
| 1260 | Y | 85.1 | Confident | 82.4 | Confident | 25 Ų | 25 | 58.6 Ų | 58.6 | 10% | 0.098 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -147.7 | 148.5 | 172.8 | 55.5 | -102.5 | 0 | 0 | 0 | 110 | I1236 L1254 Y1257 K1258 I1262 V1265 L1281 | I1236-Y1260 HydrophobicContact CD1-CD1 4.41Å; I1236-Y1260 HydrophobicContact CD1-CG 4.27Å; L1254-Y1260 HydrophobicContact CD2-CD1 4.33Å; L1254-Y1260 HydrophobicContact CD2-CD2 4.4Å; L1254-Y1260 HydrophobicContact CD2-CE1 3.82Å; L1254-Y1260 HydrophobicContact CD2-CE2 3.94Å; L1254-Y1260 PolarHBondContact O-OH 3.16Å; Y1257-Y1260 WeakPolarHBondContact O-CE1 3.49Å; K1258-Y1260 VanDerWaalsContact C-N 3.27Å; K1258-Y1260 PolarHBondContact O-N 2.91Å; Y1260-I1262 HydrophobicContact CE2-CG1 4.25Å; Y1260-I1262 PolarHBondContact O-N 3.21Å; Y1260-V1265 HydrophobicContact CD2-CG2 3.9Å; Y1260-V1265 HydrophobicContact CG-CG2 4.29Å; Y1260-L1281 HydrophobicContact CE2-CD2 4.09Å |
| 1261 | E | 83.5 | Confident | 82.2 | Confident | 119 Ų | 119 | 61.6 Ų | 61.6 | 56% | 0.556 | 31% | 0.309 | S | S | * | . | trans | -79.5 | 119.1 | 172.5 | -84.5 | -160.3 | 159.1 | 0 | 0 | 111.4 | E1263 H1264 V1265 | E1261-E1263 VanDerWaalsContact C-N 3.27Å; E1261-E1263 PolarHBondContact O-N 3.28Å; E1261-H1264 HydrophobicContact CB-CB 3.93Å; E1261-H1264 PolarHBondContact O-N 2.97Å; E1261-H1264 VanDerWaalsContact O-N 3.09Å; E1261-V1265 WeakPolarHBondContact O-CG2 3.42Å; E1261-V1265 PolarHBondContact O-N 2.82Å | ||
| 1262 | I | 83 | Confident | 82 | Confident | 54 Ų | 54 | 70.5 Ų | 70.5 | 28% | 0.277 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56 | -41.4 | 179.8 | -63.6 | 172.8 | 0 | 0 | 0 | 111.2 | Y1260 H1264 V1265 L1266 L1281 K1284 | Y1260-I1262 HydrophobicContact CE2-CG1 4.25Å; Y1260-I1262 PolarHBondContact O-N 3.21Å; I1262-H1264 PolarHBondContact O-N 2.95Å; I1262-V1265 PolarHBondContact O-N 3.37Å; I1262-L1266 HydrophobicContact CG2-CD1 3.88Å; I1262-L1266 HydrophobicContact CG2-CG 4.38Å; I1262-L1266 WeakPolarHBondContact O-CB 3.33Å; I1262-L1266 WeakPolarHBondContact O-CG 3.48Å; I1262-L1266 PolarHBondContact O-N 3.22Å; I1262-L1281 HydrophobicContact CG1-CD2 4.49Å; I1262-L1281 HydrophobicContact CG2-CB 4.43Å; I1262-L1281 HydrophobicContact CG2-CD2 4.2Å; I1262-K1284 HydrophobicContact CD1-CB 4.44Å |
| 1263 | E | 82.4 | Confident | 81.7 | Confident | 146 Ų | 146 | 74.2 Ų | 74.2 | 68% | 0.682 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66.2 | -35.3 | 178.8 | -71 | -166.4 | 170.6 | 0 | 0 | 113.1 | E1261 K1267 | E1261-E1263 VanDerWaalsContact C-N 3.27Å; E1261-E1263 PolarHBondContact O-N 3.28Å; E1263-K1267 PolarHBondContact O-N 2.89Å |
| 1264 | H | 83.2 | Confident | 81.7 | Confident | 87 Ų | 87 | 74 Ų | 74 | 40% | 0.403 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.4 | -42.8 | 178.5 | -141 | 109.5 | 0 | 0 | 0 | 110.7 | E1261 I1262 K1267 V1268 | E1261-H1264 HydrophobicContact CB-CB 3.93Å; E1261-H1264 PolarHBondContact O-N 2.97Å; E1261-H1264 VanDerWaalsContact O-N 3.09Å; I1262-H1264 PolarHBondContact O-N 2.95Å; H1264-K1267 WeakPolarHBondContact O-CB 3.18Å; H1264-K1267 PolarHBondContact O-N 3.48Å; H1264-V1268 PolarHBondContact O-N 3.49Å |
| 1265 | V | 83.5 | Confident | 81.6 | Confident | 3 Ų | 3 | 75.5 Ų | 75.5 | 2% | 0.018 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 177.7 | 179.3 | 0 | 0 | 0 | 0 | 111.4 | I1236 L1254 Y1260 E1261 I1262 K1267 V1268 L1269 L1281 | I1236-V1265 HydrophobicContact CD1-CG2 3.82Å; I1236-V1265 HydrophobicContact CG2-CG1 4.32Å; L1254-V1265 HydrophobicContact CD2-CG1 4.13Å; Y1260-V1265 HydrophobicContact CD2-CG2 3.9Å; Y1260-V1265 HydrophobicContact CG-CG2 4.29Å; E1261-V1265 WeakPolarHBondContact O-CG2 3.42Å; E1261-V1265 PolarHBondContact O-N 2.82Å; I1262-V1265 PolarHBondContact O-N 3.37Å; V1265-K1267 PolarHBondContact O-N 3.35Å; V1265-V1268 PolarHBondContact O-N 3.43Å; V1265-V1268 VanDerWaalsContact O-N 3.13Å; V1265-L1269 HydrophobicContact CG1-CD1 3.62Å; V1265-L1269 HydrophobicContact CG1-CG 4.22Å; V1265-L1269 WeakPolarHBondContact O-CG 3.48Å; V1265-L1269 PolarHBondContact O-N 2.96Å; V1265-L1281 HydrophobicContact CB-CD1 4.45Å; V1265-L1281 HydrophobicContact CG1-CD1 3.78Å |
| 1266 | L | 83.8 | Confident | 81.7 | Confident | 46 Ų | 46 | 73.8 Ų | 73.8 | 24% | 0.241 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.5 | -25.3 | 174.5 | -78.7 | 170.5 | 0 | 0 | 0 | 113.4 | I1262 V1278 L1281 | I1262-L1266 HydrophobicContact CG2-CD1 3.88Å; I1262-L1266 HydrophobicContact CG2-CG 4.38Å; I1262-L1266 WeakPolarHBondContact O-CB 3.33Å; I1262-L1266 WeakPolarHBondContact O-CG 3.48Å; I1262-L1266 PolarHBondContact O-N 3.22Å; L1266-V1278 HydrophobicContact CD2-CG1 4.08Å; L1266-V1278 HydrophobicContact CD2-CG2 4.5Å; L1266-L1281 HydrophobicContact CD2-CB 3.95Å; L1266-L1281 HydrophobicContact CD2-CD1 4.01Å; L1266-L1281 HydrophobicContact CG-CB 4.31Å; L1266-L1281 HydrophobicContact CG-CD1 4.21Å |
| 1267 | K | 82.9 | Confident | 82 | Confident | 168 Ų | 168 | 71.3 Ų | 71.3 | 73% | 0.73 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -76.4 | -29.5 | 173.4 | -77.5 | 174.8 | -178.6 | 166.6 | 0 | 113.1 | E1263 H1264 V1265 | E1263-K1267 PolarHBondContact O-N 2.89Å; H1264-K1267 WeakPolarHBondContact O-CB 3.18Å; H1264-K1267 PolarHBondContact O-N 3.48Å; V1265-K1267 PolarHBondContact O-N 3.35Å |
| 1268 | V | 82.7 | Confident | 82.4 | Confident | 56 Ų | 56 | 70.6 Ų | 70.6 | 34% | 0.339 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -80.4 | -36.2 | 179.8 | 177.5 | 0 | 0 | 0 | 0 | 110.9 | Y1237 V1240 H1264 V1265 | Y1237-V1268 HydrophobicContact CD2-CG1 4.39Å; V1240-V1268 HydrophobicContact CG2-CG1 4.35Å; H1264-V1268 PolarHBondContact O-N 3.49Å; V1265-V1268 PolarHBondContact O-N 3.43Å; V1265-V1268 VanDerWaalsContact O-N 3.13Å |
| 1269 | L | 83.9 | Confident | 82.9 | Confident | 8 Ų | 8 | 62.9 Ų | 62.9 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -88.7 | 122.9 | -176.5 | -62.3 | 174.2 | 0 | 0 | 0 | 111.7 | V1240 L1250 L1254 V1265 Y1274 E1277 V1278 L1281 | V1240-L1269 HydrophobicContact CG2-CD2 3.56Å; L1250-L1269 HydrophobicContact CD2-CD1 4.49Å; L1250-L1269 HydrophobicContact CD2-CD2 3.65Å; L1254-L1269 HydrophobicContact CD1-CD1 4.49Å; V1265-L1269 HydrophobicContact CG1-CD1 3.62Å; V1265-L1269 HydrophobicContact CG1-CG 4.22Å; V1265-L1269 WeakPolarHBondContact O-CG 3.48Å; V1265-L1269 PolarHBondContact O-N 2.96Å; L1269-Y1274 HydrophobicContact CD2-CD1 4.33Å; L1269-Y1274 HydrophobicContact CD2-CD2 3.62Å; L1269-Y1274 HydrophobicContact CD2-CE2 4.11Å; L1269-Y1274 HydrophobicContact CD2-CG 3.75Å; L1269-E1277 HydrophobicContact CD1-CB 4.19Å; L1269-V1278 HydrophobicContact CB-CG2 4.03Å; L1269-L1281 HydrophobicContact CD1-CD1 3.9Å |
| 1270 | S | 82.4 | Confident | 83.4 | Confident | 49 Ų | 49 | 60.7 Ų | 60.7 | 34% | 0.343 | 29% | 0.293 | S | S | . | . | trans | -84.8 | 138.1 | 168.4 | 73.2 | 0 | 0 | 0 | 0 | 111 | E1272 K1273 Y1274 | S1270-E1272 PolarHBondContact O-N 2.96Å; S1270-K1273 PolarHBondContact O-N 3.35Å; S1270-K1273 VanDerWaalsContact O-N 3.14Å; S1270-K1273 WeakPolarHBondContact OG-CB 3.27Å; S1270-K1273 PolarHBondContact OG-N 3.43Å; S1270-Y1274 PolarHBondContact O-N 3.36Å | ||
| 1271 | V | 79.8 | Confident | 83.5 | Confident | 67 Ų | 67 | 59.5 Ų | 59.5 | 41% | 0.406 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -37.5 | 178.4 | -171.4 | 0 | 0 | 0 | 0 | 111.6 | K1273 P1275 V1278 L1294 | V1271-K1273 PolarHBondContact O-N 3.05Å; V1271-P1275 WeakPolarHBondContact O-CA 3.4Å; V1271-P1275 WeakPolarHBondContact O-CB 3.2Å; V1271-P1275 WeakPolarHBondContact O-CD 3.49Å; V1271-V1278 HydrophobicContact CG2-CG1 4.24Å; V1271-L1294 HydrophobicContact CG1-CD1 4.43Å; V1271-L1294 HydrophobicContact CG1-CD2 3.79Å |
| 1272 | E | 78.1 | Confident | 83.7 | Confident | 189 Ų | 189 | 56.2 Ų | 56.2 | 88% | 0.883 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -34.1 | 179.8 | -68 | -177.7 | 165.2 | 0 | 0 | 113.6 | S1270 | S1270-E1272 PolarHBondContact O-N 2.96Š|
| 1273 | K | 76.3 | Confident | 83.9 | Confident | 132 Ų | 132 | 55.2 Ų | 55.2 | 57% | 0.574 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -36.8 | -177.8 | -71.1 | -176 | 177.3 | -178.3 | 0 | 112.6 | P1245 S1270 V1271 P1275 | P1245-K1273 HydrophobicContact CB-CB 4.44Å; P1245-K1273 WeakPolarHBondContact CB-O 3.37Å; S1270-K1273 PolarHBondContact O-N 3.35Å; S1270-K1273 VanDerWaalsContact O-N 3.14Å; S1270-K1273 WeakPolarHBondContact OG-CB 3.27Å; S1270-K1273 PolarHBondContact OG-N 3.43Å; V1271-K1273 PolarHBondContact O-N 3.05Å; K1273-P1275 WeakPolarHBondContact O-CD 3.14Å |
| 1274 | Y | 83.7 | Confident | 83.9 | Confident | 13 Ų | 13 | 53 Ų | 53 | 5% | 0.051 | 25% | 0.254 | C | S | . | . | trans | -127.4 | 57.4 | -172.8 | -58.7 | -82.4 | 0 | 0 | 0 | 112.4 | V1240 P1245 L1250 L1269 S1270 R1276 E1277 V1278 | V1240-Y1274 HydrophobicContact CG1-CE2 3.92Å; V1240-Y1274 HydrophobicContact CG2-CE2 4.32Å; V1240-Y1274 PolarHBondContact O-OH 3.49Å; V1240-Y1274 VanDerWaalsContact O-OH 3.07Å; P1245-Y1274 HydrophobicContact CB-CD1 4.3Å; P1245-Y1274 HydrophobicContact CB-CE1 3.9Å; L1250-Y1274 HydrophobicContact CD2-CD1 3.74Å; L1250-Y1274 HydrophobicContact CD2-CE1 3.89Å; L1250-Y1274 HydrophobicContact CD2-CG 4.38Å; L1269-Y1274 HydrophobicContact CD2-CD1 4.33Å; L1269-Y1274 HydrophobicContact CD2-CD2 3.62Å; L1269-Y1274 HydrophobicContact CD2-CE2 4.11Å; L1269-Y1274 HydrophobicContact CD2-CG 3.75Å; S1270-Y1274 PolarHBondContact O-N 3.36Å; Y1274-R1276 VanDerWaalsContact C-N 3.28Å; Y1274-R1276 PolarHBondContact O-N 3.16Å; Y1274-E1277 VanDerWaalsContact CA-OE2 3.27Å; Y1274-E1277 WeakPolarHBondContact CA-OE2 3.16Å; Y1274-E1277 WeakPolarHBondContact CB-OE2 3.17Å; Y1274-E1277 PolarHBondContact O-N 3.35Å; Y1274-V1278 WeakPolarHBondContact O-CB 3.43Å; Y1274-V1278 VanDerWaalsContact O-CG2 3.26Å; Y1274-V1278 WeakPolarHBondContact O-CG2 3Å; Y1274-V1278 PolarHBondContact O-N 3.2Å | ||
| 1275 | P | 84.3 | Confident | 84 | Confident | 31 Ų | 31 | 51.8 Ų | 51.8 | 20% | 0.201 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.1 | -32 | -171.9 | 27.5 | -35.5 | 0 | 0 | 0 | 112.2 | V1271 K1273 A1279 L1294 I1298 | V1271-P1275 WeakPolarHBondContact O-CA 3.4Å; V1271-P1275 WeakPolarHBondContact O-CB 3.2Å; V1271-P1275 WeakPolarHBondContact O-CD 3.49Å; K1273-P1275 WeakPolarHBondContact O-CD 3.14Å; P1275-A1279 VanDerWaalsContact O-CB 3.26Å; P1275-A1279 WeakPolarHBondContact O-CB 3.37Å; P1275-A1279 PolarHBondContact O-N 2.99Å; P1275-L1294 HydrophobicContact CB-CD2 4.04Å; P1275-I1298 HydrophobicContact CB-CD1 3.88Å; P1275-I1298 HydrophobicContact CB-CG1 3.79Å; P1275-I1298 HydrophobicContact CG-CD1 4.46Å; P1275-I1298 HydrophobicContact CG-CG1 4.18Å |
| 1276 | R | 83.6 | Confident | 83.9 | Confident | 51 Ų | 51 | 54 Ų | 54 | 19% | 0.192 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.9 | -41.6 | -178 | -65.6 | 177.6 | -61.7 | -140.2 | 5 | 111.9 | P1245 S1246 Y1274 A1279 Y1280 I1298 | P1245-R1276 PolarHBondContact O-NH2 2.92Å; S1246-R1276 PolarHBondContact O-NH2 2.99Å; Y1274-R1276 VanDerWaalsContact C-N 3.28Å; Y1274-R1276 PolarHBondContact O-N 3.16Å; R1276-A1279 PolarHBondContact O-N 3.31Å; R1276-Y1280 PolarHBondContact O-N 3.01Å; R1276-Y1280 VanDerWaalsContact O-N 3.11Å; R1276-I1298 HydrophobicContact CG-CD1 4.07Å; R1276-I1298 HydrophobicContact CG-CG2 4.26Å |
| 1277 | E | 87.3 | Confident | 84 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.3 | -43.1 | -179.5 | -60.3 | 65.7 | -148.1 | 0 | 0 | 109.9 | L1250 L1251 L1254 L1269 Y1274 Y1280 L1281 | L1250-E1277 HydrophobicContact CD2-CG 3.97Å; L1250-E1277 HydrophobicContact CG-CG 4.13Å; L1251-E1277 HydrophobicContact CB-CG 4.02Å; L1251-E1277 VanDerWaalsContact CD1-CA 3.43Å; L1251-E1277 HydrophobicContact CD1-CB 4.01Å; L1251-E1277 HydrophobicContact CD1-CG 3.72Å; L1254-E1277 HydrophobicContact CD1-CB 4.07Å; L1254-E1277 HydrophobicContact CD1-CG 4.38Å; L1269-E1277 HydrophobicContact CD1-CB 4.19Å; Y1274-E1277 VanDerWaalsContact CA-OE2 3.27Å; Y1274-E1277 WeakPolarHBondContact CA-OE2 3.16Å; Y1274-E1277 WeakPolarHBondContact CB-OE2 3.17Å; Y1274-E1277 PolarHBondContact O-N 3.35Å; E1277-Y1280 PolarHBondContact O-N 2.69Å; E1277-L1281 VanDerWaalsContact O-CG 3.32Å; E1277-L1281 WeakPolarHBondContact O-CG 3.49Å; E1277-L1281 PolarHBondContact O-N 3.47Å |
| 1278 | V | 87.4 | Confident | 84.1 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 174.1 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | L1266 L1269 V1271 Y1274 Y1280 L1281 Y1282 L1294 | L1266-V1278 HydrophobicContact CD2-CG1 4.08Å; L1266-V1278 HydrophobicContact CD2-CG2 4.5Å; L1269-V1278 HydrophobicContact CB-CG2 4.03Å; V1271-V1278 HydrophobicContact CG2-CG1 4.24Å; Y1274-V1278 WeakPolarHBondContact O-CB 3.43Å; Y1274-V1278 VanDerWaalsContact O-CG2 3.26Å; Y1274-V1278 WeakPolarHBondContact O-CG2 3Å; Y1274-V1278 PolarHBondContact O-N 3.2Å; V1278-Y1280 VanDerWaalsContact C-N 3.32Å; V1278-Y1280 PolarHBondContact O-N 3.32Å; V1278-L1281 PolarHBondContact O-N 2.95Å; V1278-Y1282 HydrophobicContact CG1-CD2 3.65Å; V1278-Y1282 HydrophobicContact CG1-CE2 3.34Å; V1278-Y1282 WeakPolarHBondContact O-CD2 3.43Å; V1278-Y1282 PolarHBondContact O-N 3.3Å; V1278-L1294 HydrophobicContact CG1-CD1 4.13Å |
| 1279 | A | 86.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | P1275 R1276 Y1282 E1283 L1294 Y1295 I1298 | P1275-A1279 VanDerWaalsContact O-CB 3.26Å; P1275-A1279 WeakPolarHBondContact O-CB 3.37Å; P1275-A1279 PolarHBondContact O-N 2.99Å; R1276-A1279 PolarHBondContact O-N 3.31Å; A1279-Y1282 PolarHBondContact O-N 3.5Å; A1279-E1283 PolarHBondContact O-N 3.19Å; A1279-L1294 HydrophobicContact CB-CB 3.93Å; A1279-Y1295 HydrophobicContact CB-CD1 4.1Å; A1279-Y1295 HydrophobicContact CB-CD2 4.3Å; A1279-Y1295 HydrophobicContact CB-CE1 3.78Å; A1279-Y1295 HydrophobicContact CB-CE2 4Å; A1279-Y1295 HydrophobicContact CB-CG 4.33Å; A1279-I1298 HydrophobicContact CB-CD1 4.28Å |
| 1280 | Y | 87.3 | Confident | 84.2 | Confident | 27 Ų | 27 | 54.1 Ų | 54.1 | 11% | 0.106 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 176 | 175.6 | -106.1 | 0 | 0 | 0 | 112.5 | L1251 L1254 E1255 R1276 E1277 V1278 Y1282 E1283 K1284 | L1251-Y1280 HydrophobicContact CD1-CG 4.44Å; L1254-Y1280 HydrophobicContact CB-CE1 4.43Å; E1255-Y1280 HydrophobicContact CG-CD1 4.46Å; E1255-Y1280 HydrophobicContact CG-CE1 3.95Å; E1255-Y1280 HydrophobicContact CG-CE2 4.05Å; R1276-Y1280 PolarHBondContact O-N 3.01Å; R1276-Y1280 VanDerWaalsContact O-N 3.11Å; E1277-Y1280 PolarHBondContact O-N 2.69Å; V1278-Y1280 VanDerWaalsContact C-N 3.32Å; V1278-Y1280 PolarHBondContact O-N 3.32Å; Y1280-Y1282 VanDerWaalsContact C-N 3.33Å; Y1280-Y1282 PolarHBondContact O-N 2.91Å; Y1280-E1283 WeakPolarHBondContact O-CB 3.23Å; Y1280-E1283 PolarHBondContact O-N 3.26Å; Y1280-K1284 HydrophobicContact CE1-CG 4.13Å; Y1280-K1284 HydrophobicContact CE2-CG 4.27Å; Y1280-K1284 WeakPolarHBondContact O-CB 3.26Å; Y1280-K1284 PolarHBondContact O-N 2.9Å; Y1280-K1284 VanDerWaalsContact OH-CE 3.26Å; Y1280-K1284 WeakPolarHBondContact OH-CE 3.3Å |
| 1281 | L | 87.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.5 | -35.9 | 175.6 | -70.5 | 168.7 | 0 | 0 | 0 | 111.9 | L1254 Y1260 I1262 V1265 L1266 L1269 E1277 V1278 K1284 S1285 | L1254-L1281 HydrophobicContact CD1-CD1 4.4Å; Y1260-L1281 HydrophobicContact CE2-CD2 4.09Å; I1262-L1281 HydrophobicContact CG1-CD2 4.49Å; I1262-L1281 HydrophobicContact CG2-CB 4.43Å; I1262-L1281 HydrophobicContact CG2-CD2 4.2Å; V1265-L1281 HydrophobicContact CB-CD1 4.45Å; V1265-L1281 HydrophobicContact CG1-CD1 3.78Å; L1266-L1281 HydrophobicContact CD2-CB 3.95Å; L1266-L1281 HydrophobicContact CD2-CD1 4.01Å; L1266-L1281 HydrophobicContact CG-CB 4.31Å; L1266-L1281 HydrophobicContact CG-CD1 4.21Å; L1269-L1281 HydrophobicContact CD1-CD1 3.9Å; E1277-L1281 VanDerWaalsContact O-CG 3.32Å; E1277-L1281 WeakPolarHBondContact O-CG 3.49Å; E1277-L1281 PolarHBondContact O-N 3.47Å; V1278-L1281 PolarHBondContact O-N 2.95Å; L1281-K1284 PolarHBondContact O-N 3.32Å; L1281-S1285 WeakPolarHBondContact O-CB 3.48Å; L1281-S1285 PolarHBondContact O-N 2.98Å; L1281-S1285 PolarHBondContact O-OG 3.49Å |
| 1282 | Y | 88.1 | Confident | 84.7 | Confident | 50 Ų | 50 | 50.1 Ų | 50.1 | 20% | 0.196 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.5 | -39 | 171.7 | -76.9 | -50 | 0 | 0 | 0 | 113 | V1278 A1279 Y1280 K1284 S1285 G1286 D1287 K1290 L1294 | V1278-Y1282 HydrophobicContact CG1-CD2 3.65Å; V1278-Y1282 HydrophobicContact CG1-CE2 3.34Å; V1278-Y1282 WeakPolarHBondContact O-CD2 3.43Å; V1278-Y1282 PolarHBondContact O-N 3.3Å; A1279-Y1282 PolarHBondContact O-N 3.5Å; Y1280-Y1282 VanDerWaalsContact C-N 3.33Å; Y1280-Y1282 PolarHBondContact O-N 2.91Å; Y1282-K1284 VanDerWaalsContact C-N 3.29Å; Y1282-K1284 PolarHBondContact O-N 2.86Å; Y1282-S1285 WeakPolarHBondContact CA-OG 3.16Å; Y1282-S1285 PolarHBondContact O-N 3.36Å; Y1282-S1285 PolarHBondContact O-OG 3.46Å; Y1282-G1286 PolarHBondContact O-N 2.96Å; Y1282-G1286 VanDerWaalsContact O-N 3.16Å; Y1282-D1287 HydrophobicContact CD1-CB 4.15Å; Y1282-D1287 PolarHBondContact O-N 2.85Å; Y1282-K1290 HydrophobicContact CD1-CB 4.4Å; Y1282-K1290 HydrophobicContact CD1-CD 4.22Å; Y1282-K1290 HydrophobicContact CD2-CB 4.08Å; Y1282-K1290 HydrophobicContact CE1-CD 3.83Å; Y1282-K1290 HydrophobicContact CE2-CB 4.36Å; Y1282-K1290 HydrophobicContact CE2-CD 4.32Å; Y1282-K1290 HydrophobicContact CG-CB 4.11Å; Y1282-L1294 HydrophobicContact CD2-CD1 3.65Å; Y1282-L1294 HydrophobicContact CE2-CD1 3.75Å |
| 1283 | E | 87.1 | Confident | 85.2 | Confident | 33 Ų | 33 | 43.8 Ų | 43.8 | 15% | 0.154 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.7 | -45.6 | 171.5 | -177.4 | -175.9 | 175.5 | 0 | 0 | 110.1 | A1279 Y1280 G1286 A1291 Y1295 F1357 R1360 | A1279-E1283 PolarHBondContact O-N 3.19Å; Y1280-E1283 WeakPolarHBondContact O-CB 3.23Å; Y1280-E1283 PolarHBondContact O-N 3.26Å; E1283-G1286 PolarHBondContact O-N 3.35Å; E1283-A1291 HydrophobicContact CB-CB 4.34Å; E1283-Y1295 PolarHBondContact OE2-OH 3.34Å; E1283-F1357 HydrophobicContact CG-CD2 4.15Å; E1283-F1357 HydrophobicContact CG-CE2 4.16Å; E1283-R1360 IonicContact OE1-CZ 3.13Å; E1283-R1360 IonicContact OE1-NE 2.82Å; E1283-R1360 PolarHBondContact OE1-NE 2.91Å; E1283-R1360 IonicContact OE1-NH2 2.81Å; E1283-R1360 PolarHBondContact OE1-NH2 3.43Å; E1283-R1360 IonicContact OE2-NH2 2.76Å; E1283-R1360 PolarHBondContact OE2-NH2 3.35Å; E1283-R1360 VanDerWaalsContact OE2-NH2 3.12Å |
| 1284 | K | 83.1 | Confident | 85.7 | Confident | 99 Ų | 99 | 38.3 Ų | 38.3 | 43% | 0.43 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.3 | -36 | 178.3 | -91.2 | -88.6 | -178 | 162.5 | 0 | 114.4 | I1262 Y1280 L1281 Y1282 G1286 | I1262-K1284 HydrophobicContact CD1-CB 4.44Å; Y1280-K1284 HydrophobicContact CE1-CG 4.13Å; Y1280-K1284 HydrophobicContact CE2-CG 4.27Å; Y1280-K1284 WeakPolarHBondContact O-CB 3.26Å; Y1280-K1284 PolarHBondContact O-N 2.9Å; Y1280-K1284 VanDerWaalsContact OH-CE 3.26Å; Y1280-K1284 WeakPolarHBondContact OH-CE 3.3Å; L1281-K1284 PolarHBondContact O-N 3.32Å; Y1282-K1284 VanDerWaalsContact C-N 3.29Å; Y1282-K1284 PolarHBondContact O-N 2.86Å; K1284-G1286 PolarHBondContact O-N 2.97Å |
| 1285 | S | 85.4 | Confident | 86 | Confident | 63 Ų | 63 | 38.1 Ų | 38.1 | 44% | 0.441 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -77.4 | -10.9 | 178.2 | 72.1 | 0 | 0 | 0 | 0 | 112.9 | L1281 Y1282 | L1281-S1285 WeakPolarHBondContact O-CB 3.48Å; L1281-S1285 PolarHBondContact O-N 2.98Å; L1281-S1285 PolarHBondContact O-OG 3.49Å; Y1282-S1285 WeakPolarHBondContact CA-OG 3.16Å; Y1282-S1285 PolarHBondContact O-N 3.36Å; Y1282-S1285 PolarHBondContact O-OG 3.46Å |
| 1286 | G | 80.6 | Confident | 86.2 | Confident | 50 Ų | 50 | 38.6 Ų | 38.6 | 52% | 0.515 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | 2.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y1282 E1283 K1284 L1288 | Y1282-G1286 PolarHBondContact O-N 2.96Å; Y1282-G1286 VanDerWaalsContact O-N 3.16Å; E1283-G1286 PolarHBondContact O-N 3.35Å; K1284-G1286 PolarHBondContact O-N 2.97Å; G1286-L1288 PolarHBondContact O-N 2.78Å |
| 1287 | D | 87.1 | Confident | 86.5 | Confident | 50 Ų | 50 | 40.9 Ų | 40.9 | 27% | 0.267 | 23% | 0.23 | S | C | . | . | trans | -83.4 | 66.4 | 179.3 | -153.9 | -18.6 | 0 | 0 | 0 | 110.9 | Y1282 S1289 K1290 A1291 | Y1282-D1287 HydrophobicContact CD1-CB 4.15Å; Y1282-D1287 PolarHBondContact O-N 2.85Å; D1287-S1289 VanDerWaalsContact C-N 3.26Å; D1287-S1289 PolarHBondContact O-N 3.2Å; D1287-S1289 PolarHBondContact OD1-OG 3.43Å; D1287-K1290 PolarHBondContact O-N 2.97Å; D1287-K1290 VanDerWaalsContact OD2-CD 3.31Å; D1287-K1290 WeakPolarHBondContact OD2-CD 3.38Å; D1287-K1290 VanDerWaalsContact OD2-CE 3.27Å; D1287-K1290 WeakPolarHBondContact OD2-CE 3.45Å; D1287-K1290 IonicContact OD2-NZ 3.02Å; D1287-K1290 PolarHBondContact OD2-NZ 2.96Å; D1287-A1291 PolarHBondContact O-N 3.38Å; D1287-A1291 VanDerWaalsContact O-N 3.16Å | ||
| 1288 | L | 83.5 | Confident | 86.5 | Confident | 49 Ų | 49 | 41.5 Ų | 41.5 | 26% | 0.257 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.9 | -32.5 | -170 | -68.4 | 173.7 | 0 | 0 | 0 | 113.6 | G1286 A1291 T1292 F1357 R1361 | G1286-L1288 PolarHBondContact O-N 2.78Å; L1288-A1291 PolarHBondContact O-N 3.41Å; L1288-T1292 PolarHBondContact O-N 3.45Å; L1288-T1292 PolarHBondContact O-OG1 3.42Å; L1288-F1357 HydrophobicContact CD2-CE2 4.29Å; L1288-R1361 PolarHBondContact O-NH1 3.39Å |
| 1289 | S | 83.4 | Confident | 86.6 | Confident | 83 Ų | 83 | 41.5 Ų | 41.5 | 58% | 0.58 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -62.3 | -48.5 | 176.7 | 15.3 | 0 | 0 | 0 | 0 | 112.1 | D1287 T1292 A1293 | D1287-S1289 VanDerWaalsContact C-N 3.26Å; D1287-S1289 PolarHBondContact O-N 3.2Å; D1287-S1289 PolarHBondContact OD1-OG 3.43Å; S1289-T1292 PolarHBondContact O-N 3.06Å; S1289-A1293 PolarHBondContact O-N 3.41Å; S1289-A1293 VanDerWaalsContact O-N 3.16Å |
| 1290 | K | 85.7 | Confident | 86.7 | Confident | 98 Ų | 98 | 43.6 Ų | 43.6 | 43% | 0.426 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.7 | -39.5 | 177.6 | -70.1 | -176.3 | -170.3 | 144.6 | 0 | 111.5 | Y1282 D1287 T1292 A1293 L1294 | Y1282-K1290 HydrophobicContact CD1-CB 4.4Å; Y1282-K1290 HydrophobicContact CD1-CD 4.22Å; Y1282-K1290 HydrophobicContact CD2-CB 4.08Å; Y1282-K1290 HydrophobicContact CE1-CD 3.83Å; Y1282-K1290 HydrophobicContact CE2-CB 4.36Å; Y1282-K1290 HydrophobicContact CE2-CD 4.32Å; Y1282-K1290 HydrophobicContact CG-CB 4.11Å; D1287-K1290 PolarHBondContact O-N 2.97Å; D1287-K1290 VanDerWaalsContact OD2-CD 3.31Å; D1287-K1290 WeakPolarHBondContact OD2-CD 3.38Å; D1287-K1290 VanDerWaalsContact OD2-CE 3.27Å; D1287-K1290 WeakPolarHBondContact OD2-CE 3.45Å; D1287-K1290 IonicContact OD2-NZ 3.02Å; D1287-K1290 PolarHBondContact OD2-NZ 2.96Å; K1290-T1292 VanDerWaalsContact C-N 3.34Å; K1290-T1292 PolarHBondContact O-N 3.47Å; K1290-A1293 PolarHBondContact O-N 2.95Å; K1290-L1294 WeakPolarHBondContact O-CB 3.13Å; K1290-L1294 PolarHBondContact O-N 3.15Å |
| 1291 | A | 87.7 | Confident | 86.7 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60 | -44.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1283 D1287 L1288 L1294 Y1295 F1357 | E1283-A1291 HydrophobicContact CB-CB 4.34Å; D1287-A1291 PolarHBondContact O-N 3.38Å; D1287-A1291 VanDerWaalsContact O-N 3.16Å; L1288-A1291 PolarHBondContact O-N 3.41Å; A1291-L1294 PolarHBondContact O-N 3.14Å; A1291-Y1295 HydrophobicContact CB-CE2 4.46Å; A1291-Y1295 WeakPolarHBondContact O-CD2 3.28Å; A1291-Y1295 PolarHBondContact O-N 3.06Å; A1291-F1357 HydrophobicContact CB-CE2 4.03Å; A1291-F1357 HydrophobicContact CB-CZ 4.15Å |
| 1292 | T | 86.6 | Confident | 86.6 | Confident | 31 Ų | 31 | 47.5 Ų | 47.5 | 19% | 0.19 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.8 | -51.3 | 179.2 | -45.1 | 0 | 0 | 0 | 0 | 111.1 | L1288 S1289 K1290 L1294 Y1295 E1296 F1357 R1361 | L1288-T1292 PolarHBondContact O-N 3.45Å; L1288-T1292 PolarHBondContact O-OG1 3.42Å; S1289-T1292 PolarHBondContact O-N 3.06Å; K1290-T1292 VanDerWaalsContact C-N 3.34Å; K1290-T1292 PolarHBondContact O-N 3.47Å; T1292-L1294 VanDerWaalsContact C-N 3.28Å; T1292-L1294 PolarHBondContact O-N 2.96Å; T1292-Y1295 PolarHBondContact O-N 2.67Å; T1292-E1296 WeakPolarHBondContact O-CG 3.39Å; T1292-E1296 PolarHBondContact O-N 2.78Å; T1292-F1357 HydrophobicContact CG2-CE1 4.12Å; T1292-F1357 WeakPolarHBondContact OG1-CE1 3.26Å; T1292-F1357 WeakPolarHBondContact OG1-CZ 3.29Å; T1292-R1361 PolarHBondContact OG1-NH1 3.49Å |
| 1293 | A | 87.5 | Confident | 86.5 | Confident | 56 Ų | 56 | 45.4 Ų | 45.4 | 46% | 0.463 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.8 | -40.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | S1289 K1290 Q1297 | S1289-A1293 PolarHBondContact O-N 3.41Å; S1289-A1293 VanDerWaalsContact O-N 3.16Å; K1290-A1293 PolarHBondContact O-N 2.95Å; A1293-Q1297 VanDerWaalsContact O-CB 3.28Å; A1293-Q1297 WeakPolarHBondContact O-CB 3.43Å; A1293-Q1297 PolarHBondContact O-N 3.32Å |
| 1294 | L | 87.6 | Confident | 86.5 | Confident | 17 Ų | 17 | 50.1 Ų | 50.1 | 9% | 0.089 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.7 | -45.3 | 177.2 | -101.4 | 153.4 | 0 | 0 | 0 | 112.7 | V1271 P1275 V1278 A1279 Y1282 K1290 A1291 T1292 E1296 Q1297 I1298 | V1271-L1294 HydrophobicContact CG1-CD1 4.43Å; V1271-L1294 HydrophobicContact CG1-CD2 3.79Å; P1275-L1294 HydrophobicContact CB-CD2 4.04Å; V1278-L1294 HydrophobicContact CG1-CD1 4.13Å; A1279-L1294 HydrophobicContact CB-CB 3.93Å; Y1282-L1294 HydrophobicContact CD2-CD1 3.65Å; Y1282-L1294 HydrophobicContact CE2-CD1 3.75Å; K1290-L1294 WeakPolarHBondContact O-CB 3.13Å; K1290-L1294 PolarHBondContact O-N 3.15Å; A1291-L1294 PolarHBondContact O-N 3.14Å; T1292-L1294 VanDerWaalsContact C-N 3.28Å; T1292-L1294 PolarHBondContact O-N 2.96Å; L1294-E1296 VanDerWaalsContact C-N 3.34Å; L1294-E1296 PolarHBondContact O-N 3.42Å; L1294-Q1297 PolarHBondContact O-N 3.35Å; L1294-I1298 HydrophobicContact CD2-CD1 4.5Å; L1294-I1298 WeakPolarHBondContact O-CB 3.3Å; L1294-I1298 WeakPolarHBondContact O-CD1 3.47Å; L1294-I1298 WeakPolarHBondContact O-CG1 3.49Å; L1294-I1298 PolarHBondContact O-N 3.38Å |
| 1295 | Y | 90 | Very high | 86.6 | Confident | 9 Ų | 9 | 51.8 Ų | 51.8 | 4% | 0.035 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 177.8 | -77.2 | -59.3 | 0 | 0 | 0 | 112.1 | A1279 E1283 A1291 T1292 I1298 F1299 R1353 F1357 | A1279-Y1295 HydrophobicContact CB-CD1 4.1Å; A1279-Y1295 HydrophobicContact CB-CD2 4.3Å; A1279-Y1295 HydrophobicContact CB-CE1 3.78Å; A1279-Y1295 HydrophobicContact CB-CE2 4Å; A1279-Y1295 HydrophobicContact CB-CG 4.33Å; E1283-Y1295 PolarHBondContact OE2-OH 3.34Å; A1291-Y1295 HydrophobicContact CB-CE2 4.46Å; A1291-Y1295 WeakPolarHBondContact O-CD2 3.28Å; A1291-Y1295 PolarHBondContact O-N 3.06Å; T1292-Y1295 PolarHBondContact O-N 2.67Å; Y1295-I1298 PolarHBondContact O-N 3.25Å; Y1295-F1299 PolarHBondContact O-N 3.02Å; Y1295-F1299 VanDerWaalsContact O-N 3.1Å; Y1295-R1353 HydrophobicContact CD1-CB 4.43Å; Y1295-R1353 HydrophobicContact CE1-CB 4.29Å; Y1295-F1357 HydrophobicContact CD2-CB 4.06Å; Y1295-F1357 AromaticContact CD2-CD1 3.99Å; Y1295-F1357 HydrophobicContact CD2-CD1 3.99Å; Y1295-F1357 AromaticContact CD2-CD2 3.93Å; Y1295-F1357 HydrophobicContact CD2-CD2 3.93Å; Y1295-F1357 HydrophobicContact CD2-CE1 4.42Å; Y1295-F1357 HydrophobicContact CD2-CE2 4.36Å; Y1295-F1357 AromaticContact CD2-CG 3.71Å; Y1295-F1357 HydrophobicContact CD2-CG 3.71Å; Y1295-F1357 HydrophobicContact CE2-CB 4.07Å; Y1295-F1357 AromaticContact CE2-CD2 3.7Å; Y1295-F1357 HydrophobicContact CE2-CD2 3.7Å; Y1295-F1357 HydrophobicContact CE2-CE2 4.27Å; Y1295-F1357 AromaticContact CE2-CG 3.86Å; Y1295-F1357 HydrophobicContact CE2-CG 3.86Å |
| 1296 | E | 88.9 | Confident | 86.5 | Confident | 42 Ų | 42 | 48.8 Ų | 48.8 | 20% | 0.196 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.8 | -41 | 174.9 | -72.7 | -177.3 | 171.3 | 0 | 0 | 112.3 | T1292 L1294 F1299 S1300 L1354 S1377 L1381 | T1292-E1296 WeakPolarHBondContact O-CG 3.39Å; T1292-E1296 PolarHBondContact O-N 2.78Å; L1294-E1296 VanDerWaalsContact C-N 3.34Å; L1294-E1296 PolarHBondContact O-N 3.42Å; E1296-F1299 PolarHBondContact O-N 3.27Å; E1296-S1300 WeakPolarHBondContact O-CB 3.44Å; E1296-S1300 PolarHBondContact O-N 2.96Å; E1296-S1300 PolarHBondContact O-OG 3.28Å; E1296-L1354 HydrophobicContact CG-CD1 4.1Å; E1296-S1377 PolarHBondContact OE1-OG 3.12Å; E1296-L1381 HydrophobicContact CB-CD1 3.83Å; E1296-L1381 HydrophobicContact CB-CD2 4.26Å; E1296-L1381 HydrophobicContact CG-CD1 4.01Å; E1296-L1381 HydrophobicContact CG-CD2 4.14Å |
| 1297 | Q | 89.2 | Confident | 86.5 | Confident | 98 Ų | 98 | 48.3 Ų | 48.3 | 46% | 0.458 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 175.1 | -177.5 | -178.3 | -9.4 | 0 | 0 | 111.4 | A1293 L1294 F1299 S1300 E1301 | A1293-Q1297 VanDerWaalsContact O-CB 3.28Å; A1293-Q1297 WeakPolarHBondContact O-CB 3.43Å; A1293-Q1297 PolarHBondContact O-N 3.32Å; L1294-Q1297 PolarHBondContact O-N 3.35Å; Q1297-F1299 VanDerWaalsContact C-N 3.31Å; Q1297-F1299 PolarHBondContact O-N 3.33Å; Q1297-S1300 PolarHBondContact O-N 3.05Å; Q1297-E1301 HydrophobicContact CG-CG 4.35Å; Q1297-E1301 PolarHBondContact NE2-OE1 3.47Å; Q1297-E1301 WeakPolarHBondContact O-CB 3.27Å; Q1297-E1301 WeakPolarHBondContact O-CG 3.37Å; Q1297-E1301 PolarHBondContact O-N 3.24Å |
| 1298 | I | 87.2 | Confident | 86.2 | Confident | 15 Ų | 15 | 52.5 Ų | 52.5 | 8% | 0.077 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 179.4 | -68.6 | 160.2 | 0 | 0 | 0 | 110.8 | P1275 R1276 A1279 L1294 Y1295 S1302 A1350 | P1275-I1298 HydrophobicContact CB-CD1 3.88Å; P1275-I1298 HydrophobicContact CB-CG1 3.79Å; P1275-I1298 HydrophobicContact CG-CD1 4.46Å; P1275-I1298 HydrophobicContact CG-CG1 4.18Å; R1276-I1298 HydrophobicContact CG-CD1 4.07Å; R1276-I1298 HydrophobicContact CG-CG2 4.26Å; A1279-I1298 HydrophobicContact CB-CD1 4.28Å; L1294-I1298 HydrophobicContact CD2-CD1 4.5Å; L1294-I1298 WeakPolarHBondContact O-CB 3.3Å; L1294-I1298 WeakPolarHBondContact O-CD1 3.47Å; L1294-I1298 WeakPolarHBondContact O-CG1 3.49Å; L1294-I1298 PolarHBondContact O-N 3.38Å; Y1295-I1298 PolarHBondContact O-N 3.25Å; I1298-S1302 VanDerWaalsContact O-CB 3.3Å; I1298-S1302 WeakPolarHBondContact O-CB 3.14Å; I1298-S1302 PolarHBondContact O-N 2.85Å; I1298-S1302 PolarHBondContact O-OG 3.12Å; I1298-A1350 HydrophobicContact CG2-CB 4.21Å |
| 1299 | F | 89.7 | Confident | 85.9 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.1 | -48.1 | 176.7 | 175.9 | -99.6 | 0 | 0 | 0 | 111.4 | Y1295 E1296 Q1297 E1301 S1302 W1303 V1347 A1350 N1351 L1354 L1381 L1382 | Y1295-F1299 PolarHBondContact O-N 3.02Å; Y1295-F1299 VanDerWaalsContact O-N 3.1Å; E1296-F1299 PolarHBondContact O-N 3.27Å; Q1297-F1299 VanDerWaalsContact C-N 3.31Å; Q1297-F1299 PolarHBondContact O-N 3.33Å; F1299-E1301 PolarHBondContact O-N 3.45Å; F1299-S1302 PolarHBondContact O-N 2.77Å; F1299-W1303 HydrophobicContact CE1-CE3 4.19Å; F1299-W1303 AromaticContact CE2-CE3 3.94Å; F1299-W1303 HydrophobicContact CE2-CE3 3.94Å; F1299-W1303 HydrophobicContact CE2-CZ3 4.28Å; F1299-W1303 AromaticContact CZ-CE3 3.49Å; F1299-W1303 HydrophobicContact CZ-CE3 3.49Å; F1299-W1303 VanDerWaalsContact CZ-CE3 3.49Å; F1299-W1303 AromaticContact CZ-CZ3 3.78Å; F1299-W1303 HydrophobicContact CZ-CZ3 3.78Å; F1299-W1303 WeakPolarHBondContact O-CB 3.06Å; F1299-W1303 PolarHBondContact O-N 3.05Å; F1299-V1347 HydrophobicContact CE2-CG1 4.15Å; F1299-A1350 HydrophobicContact CB-CB 4.47Å; F1299-A1350 HydrophobicContact CD2-CB 4.34Å; F1299-N1351 HydrophobicContact CD2-CB 4.1Å; F1299-N1351 HydrophobicContact CE2-CB 3.83Å; F1299-L1354 HydrophobicContact CB-CD2 4.37Å; F1299-L1354 HydrophobicContact CG-CD2 4.42Å; F1299-L1381 HydrophobicContact CB-CD2 4.41Å; F1299-L1381 HydrophobicContact CD1-CD2 3.38Å; F1299-L1381 HydrophobicContact CD1-CG 4.27Å; F1299-L1381 HydrophobicContact CE1-CD2 3.98Å; F1299-L1381 HydrophobicContact CG-CD2 4.21Å; F1299-L1382 HydrophobicContact CE1-CD2 4.24Å; F1299-L1382 HydrophobicContact CZ-CD2 3.9Å |
| 1300 | S | 87.4 | Confident | 85.4 | Confident | 45 Ų | 45 | 47.2 Ų | 47.2 | 32% | 0.315 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.2 | -43.8 | -178.7 | -58.9 | 0 | 0 | 0 | 0 | 112.6 | E1296 Q1297 W1303 Q1304 | E1296-S1300 WeakPolarHBondContact O-CB 3.44Å; E1296-S1300 PolarHBondContact O-N 2.96Å; E1296-S1300 PolarHBondContact O-OG 3.28Å; Q1297-S1300 PolarHBondContact O-N 3.05Å; S1300-W1303 PolarHBondContact O-N 2.79Å; S1300-Q1304 PolarHBondContact O-N 2.81Å |
| 1301 | E | 87.1 | Confident | 84.7 | Confident | 82 Ų | 82 | 45.8 Ų | 45.8 | 38% | 0.383 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.7 | -39.9 | 176.5 | -77.1 | -177.5 | -169.4 | 0 | 0 | 112.3 | Q1297 F1299 W1303 Q1304 K1305 | Q1297-E1301 HydrophobicContact CG-CG 4.35Å; Q1297-E1301 PolarHBondContact NE2-OE1 3.47Å; Q1297-E1301 WeakPolarHBondContact O-CB 3.27Å; Q1297-E1301 WeakPolarHBondContact O-CG 3.37Å; Q1297-E1301 PolarHBondContact O-N 3.24Å; F1299-E1301 PolarHBondContact O-N 3.45Å; E1301-W1303 VanDerWaalsContact C-N 3.32Å; E1301-Q1304 PolarHBondContact O-N 2.99Å; E1301-K1305 WeakPolarHBondContact O-CB 3.43Å; E1301-K1305 WeakPolarHBondContact O-CG 3.13Å; E1301-K1305 PolarHBondContact O-N 3.15Å |
| 1302 | S | 86.4 | Confident | 83.9 | Confident | 27 Ų | 27 | 51.7 Ų | 51.7 | 19% | 0.189 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 176.7 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | I1298 F1299 K1305 L1306 V1347 | I1298-S1302 VanDerWaalsContact O-CB 3.3Å; I1298-S1302 WeakPolarHBondContact O-CB 3.14Å; I1298-S1302 PolarHBondContact O-N 2.85Å; I1298-S1302 PolarHBondContact O-OG 3.12Å; F1299-S1302 PolarHBondContact O-N 2.77Å; S1302-K1305 PolarHBondContact O-N 3.05Å; S1302-L1306 PolarHBondContact O-N 3.22Å; S1302-V1347 WeakPolarHBondContact O-CG2 3.45Å |
| 1303 | W | 86.3 | Confident | 83 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 2% | 0.019 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.4 | -47.6 | 175.6 | -163.4 | -76.1 | 0 | 0 | 0 | 111.6 | F1299 S1300 E1301 K1305 L1306 I1307 V1347 C1385 E1386 L1398 F1402 | F1299-W1303 HydrophobicContact CE1-CE3 4.19Å; F1299-W1303 AromaticContact CE2-CE3 3.94Å; F1299-W1303 HydrophobicContact CE2-CE3 3.94Å; F1299-W1303 HydrophobicContact CE2-CZ3 4.28Å; F1299-W1303 AromaticContact CZ-CE3 3.49Å; F1299-W1303 HydrophobicContact CZ-CE3 3.49Å; F1299-W1303 VanDerWaalsContact CZ-CE3 3.49Å; F1299-W1303 AromaticContact CZ-CZ3 3.78Å; F1299-W1303 HydrophobicContact CZ-CZ3 3.78Å; F1299-W1303 WeakPolarHBondContact O-CB 3.06Å; F1299-W1303 PolarHBondContact O-N 3.05Å; S1300-W1303 PolarHBondContact O-N 2.79Å; E1301-W1303 VanDerWaalsContact C-N 3.32Å; W1303-K1305 PolarHBondContact O-N 3.26Å; W1303-L1306 WeakPolarHBondContact O-CB 3.35Å; W1303-L1306 PolarHBondContact O-N 3.2Å; W1303-I1307 PolarHBondContact O-N 3.45Å; W1303-V1347 HydrophobicContact CD2-CG1 4.44Å; W1303-V1347 HydrophobicContact CE3-CG1 3.5Å; W1303-V1347 HydrophobicContact CZ3-CG1 3.89Å; W1303-C1385 HydrophobicContact CD2-CB 3.98Å; W1303-C1385 HydrophobicContact CG-CB 4.35Å; W1303-C1385 HydrophobicContact CH2-CB 4.41Å; W1303-C1385 HydrophobicContact CZ2-CB 3.78Å; W1303-E1386 PolarHBondContact NE1-O 3.38Å; W1303-L1398 HydrophobicContact CE3-CD2 4.44Å; W1303-L1398 HydrophobicContact CH2-CB 4.09Å; W1303-L1398 HydrophobicContact CH2-CD2 3.72Å; W1303-L1398 HydrophobicContact CH2-CG 4.35Å; W1303-L1398 HydrophobicContact CZ2-CB 4.33Å; W1303-L1398 HydrophobicContact CZ2-CD1 4.18Å; W1303-L1398 HydrophobicContact CZ2-CD2 3.98Å; W1303-L1398 HydrophobicContact CZ2-CG 4.4Å; W1303-L1398 HydrophobicContact CZ3-CD2 3.96Å; W1303-F1402 AromaticContact CH2-CD2 3.96Å; W1303-F1402 HydrophobicContact CH2-CD2 3.96Å; W1303-F1402 AromaticContact CH2-CE2 3.81Å; W1303-F1402 HydrophobicContact CH2-CE2 3.81Å; W1303-F1402 HydrophobicContact CZ2-CE2 4.21Å |
| 1304 | Q | 86.3 | Confident | 81.7 | Confident | 133 Ų | 133 | 53.6 Ų | 53.6 | 62% | 0.621 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64.4 | -37.9 | 177.7 | -77.4 | -157.7 | -8.7 | 0 | 0 | 113.2 | S1300 E1301 L1306 I1307 K1308 | S1300-Q1304 PolarHBondContact O-N 2.81Å; E1301-Q1304 PolarHBondContact O-N 2.99Å; Q1304-L1306 VanDerWaalsContact C-N 3.3Å; Q1304-L1306 PolarHBondContact O-N 3.03Å; Q1304-I1307 PolarHBondContact O-N 3.36Å; Q1304-K1308 PolarHBondContact O-N 3.27Å |
| 1305 | K | 84.2 | Confident | 80.4 | Confident | 134 Ų | 134 | 59.7 Ų | 59.7 | 58% | 0.583 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61.1 | -38.8 | 175.2 | -84.3 | 175.5 | 178 | 164.6 | 0 | 112.1 | E1301 S1302 W1303 G1309 | E1301-K1305 WeakPolarHBondContact O-CB 3.43Å; E1301-K1305 WeakPolarHBondContact O-CG 3.13Å; E1301-K1305 PolarHBondContact O-N 3.15Å; S1302-K1305 PolarHBondContact O-N 3.05Å; W1303-K1305 PolarHBondContact O-N 3.26Å; K1305-G1309 PolarHBondContact O-N 3.09Å |
| 1306 | L | 84.1 | Confident | 78.6 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 175.2 | -178.5 | 117.1 | 0 | 0 | 0 | 111.5 | S1302 W1303 Q1304 G1309 E1310 L1343 Y1344 V1347 L1394 L1398 | S1302-L1306 PolarHBondContact O-N 3.22Å; W1303-L1306 WeakPolarHBondContact O-CB 3.35Å; W1303-L1306 PolarHBondContact O-N 3.2Å; Q1304-L1306 VanDerWaalsContact C-N 3.3Å; Q1304-L1306 PolarHBondContact O-N 3.03Å; L1306-G1309 PolarHBondContact O-N 3.27Å; L1306-E1310 PolarHBondContact O-N 3.35Å; L1306-E1310 VanDerWaalsContact O-N 3.17Å; L1306-L1343 HydrophobicContact CB-CB 4.38Å; L1306-L1343 VanDerWaalsContact CD1-C 3.44Å; L1306-L1343 HydrophobicContact CD1-CB 3.69Å; L1306-L1343 HydrophobicContact CG-CB 4.42Å; L1306-Y1344 VanDerWaalsContact CD1-N 3.27Å; L1306-V1347 HydrophobicContact CB-CG2 4.22Å; L1306-V1347 HydrophobicContact CD1-CG2 4.38Å; L1306-L1394 HydrophobicContact CD2-CD2 3.84Å; L1306-L1394 HydrophobicContact CG-CD2 4.32Å; L1306-L1398 HydrophobicContact CD2-CD1 3.77Å; L1306-L1398 HydrophobicContact CD2-CD2 3.84Å; L1306-L1398 HydrophobicContact CD2-CG 4.23Å |
| 1307 | I | 80.3 | Confident | 76.7 | Confident | 39 Ų | 39 | 65.1 Ų | 65.1 | 20% | 0.2 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.3 | -47.7 | 177.8 | -60.8 | 178.2 | 0 | 0 | 0 | 111.2 | W1303 Q1304 G1309 E1310 C1311 E1386 V1388 | W1303-I1307 PolarHBondContact O-N 3.45Å; Q1304-I1307 PolarHBondContact O-N 3.36Å; I1307-G1309 PolarHBondContact O-N 3.36Å; I1307-E1310 PolarHBondContact O-N 3.45Å; I1307-C1311 PolarHBondContact O-N 3.34Å; I1307-C1311 VanDerWaalsContact O-N 3.13Å; I1307-E1386 HydrophobicContact CD1-CB 4.28Å; I1307-E1386 WeakPolarHBondContact CD1-O 3.45Å; I1307-V1388 HydrophobicContact CG1-CG2 4.09Å |
| 1308 | K | 81.9 | Confident | 74.4 | Confident | 139 Ų | 139 | 63.1 Ų | 63.1 | 60% | 0.604 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.5 | -42.9 | 177.6 | -99.6 | -175.7 | 175 | 179 | 0 | 112.3 | Q1304 E1310 C1311 E1312 | Q1304-K1308 PolarHBondContact O-N 3.27Å; K1308-E1310 VanDerWaalsContact C-N 3.33Å; K1308-E1310 PolarHBondContact O-N 3.27Å; K1308-C1311 WeakPolarHBondContact O-CB 3.34Å; K1308-C1311 PolarHBondContact O-N 3.37Å; K1308-E1312 PolarHBondContact O-N 3.01Å |
| 1309 | G | 76.5 | Confident | 72.1 | Confident | 13 Ų | 13 | 68.9 Ų | 68.9 | 13% | 0.134 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K1305 L1306 I1307 E1312 L1313 | K1305-G1309 PolarHBondContact O-N 3.09Å; L1306-G1309 PolarHBondContact O-N 3.27Å; I1307-G1309 PolarHBondContact O-N 3.36Å; G1309-E1312 PolarHBondContact O-N 3.37Å; G1309-L1313 WeakPolarHBondContact O-CB 3.25Å; G1309-L1313 VanDerWaalsContact O-CD1 3.3Å; G1309-L1313 WeakPolarHBondContact O-CD1 3.48Å; G1309-L1313 VanDerWaalsContact O-CG 3.25Å; G1309-L1313 WeakPolarHBondContact O-CG 3.42Å; G1309-L1313 PolarHBondContact O-N 3.38Å |
| 1310 | E | 73.7 | Confident | 69.6 | Low | 8 Ų | 8 | 72.4 Ų | 72.4 | 4% | 0.037 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 175.9 | -154.1 | -90.5 | 174.1 | 0 | 0 | 111.6 | L1306 I1307 K1308 L1313 R1314 L1340 V1388 H1391 | L1306-E1310 PolarHBondContact O-N 3.35Å; L1306-E1310 VanDerWaalsContact O-N 3.17Å; I1307-E1310 PolarHBondContact O-N 3.45Å; K1308-E1310 VanDerWaalsContact C-N 3.33Å; K1308-E1310 PolarHBondContact O-N 3.27Å; E1310-L1313 PolarHBondContact O-N 3.02Å; E1310-R1314 PolarHBondContact O-N 2.67Å; E1310-R1314 IonicContact OE1-CZ 2.75Å; E1310-R1314 VanDerWaalsContact OE1-CZ 3.26Å; E1310-R1314 IonicContact OE1-NE 3.77Å; E1310-R1314 PolarHBondContact OE1-NE 2.55Å; E1310-R1314 IonicContact OE1-NH2 2.98Å; E1310-R1314 PolarHBondContact OE1-NH2 3.06Å; E1310-R1314 IonicContact OE2-CZ 2.62Å; E1310-R1314 IonicContact OE2-NE 3.97Å; E1310-R1314 PolarHBondContact OE2-NE 3.04Å; E1310-R1314 IonicContact OE2-NH2 3.09Å; E1310-L1340 HydrophobicContact CB-CD2 3.95Å; E1310-L1340 HydrophobicContact CG-CD1 4.43Å; E1310-L1340 HydrophobicContact CG-CD2 3.94Å; E1310-V1388 HydrophobicContact CB-CG1 4.34Å; E1310-V1388 VanDerWaalsContact CD-CG1 3.42Å; E1310-V1388 HydrophobicContact CG-CG1 4.04Å; E1310-V1388 WeakPolarHBondContact OE2-CG1 3.43Å; E1310-H1391 IonicContact OE1-CD2 3.79Å; E1310-H1391 PolarHBondContact OE1-CD2 3.4Å; E1310-H1391 IonicContact OE1-CG 3.74Å |
| 1311 | C | 70.4 | Confident | 67 | Low | 67 Ų | 67 | 76.2 Ų | 76.2 | 45% | 0.453 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 175.8 | -106.5 | 0 | 0 | 0 | 0 | 113.5 | I1307 K1308 K1315 | I1307-C1311 PolarHBondContact O-N 3.34Å; I1307-C1311 VanDerWaalsContact O-N 3.13Å; K1308-C1311 WeakPolarHBondContact O-CB 3.34Å; K1308-C1311 PolarHBondContact O-N 3.37Å; C1311-K1315 WeakPolarHBondContact O-CG 3.41Å; C1311-K1315 PolarHBondContact O-N 3.18Å; C1311-K1315 VanDerWaalsContact O-N 3.17Å |
| 1312 | E | 70.7 | Confident | 64.3 | Low | 124 Ų | 124 | 77.3 Ų | 77.3 | 58% | 0.579 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -69.6 | -40.5 | 178.8 | -75.5 | 176.4 | -179.6 | 0 | 0 | 111.6 | K1308 G1309 R1314 K1315 T1316 | K1308-E1312 PolarHBondContact O-N 3.01Å; G1309-E1312 PolarHBondContact O-N 3.37Å; E1312-R1314 VanDerWaalsContact C-N 3.31Å; E1312-R1314 PolarHBondContact O-N 2.89Å; E1312-K1315 PolarHBondContact O-N 3.3Å; E1312-K1315 VanDerWaalsContact O-N 3.16Å; E1312-T1316 PolarHBondContact O-N 3.44Å; E1312-T1316 PolarHBondContact O-OG1 3.41Å |
| 1313 | L | 66.9 | Low | 61.5 | Low | 44 Ų | 44 | 81.2 Ų | 81.2 | 23% | 0.23 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63.2 | -36.2 | 175.8 | -76.3 | 162.1 | 0 | 0 | 0 | 112.3 | G1309 E1310 T1316 S1317 I1336 L1340 | G1309-L1313 WeakPolarHBondContact O-CB 3.25Å; G1309-L1313 VanDerWaalsContact O-CD1 3.3Å; G1309-L1313 WeakPolarHBondContact O-CD1 3.48Å; G1309-L1313 VanDerWaalsContact O-CG 3.25Å; G1309-L1313 WeakPolarHBondContact O-CG 3.42Å; G1309-L1313 PolarHBondContact O-N 3.38Å; E1310-L1313 PolarHBondContact O-N 3.02Å; L1313-T1316 WeakPolarHBondContact CA-OG1 3.34Å; L1313-T1316 PolarHBondContact O-OG1 3.28Å; L1313-S1317 PolarHBondContact O-N 3.41Å; L1313-I1336 HydrophobicContact CD1-CG2 4.29Å; L1313-I1336 HydrophobicContact CD2-CG1 4.14Å; L1313-I1336 HydrophobicContact CD2-CG2 4.46Å; L1313-L1340 HydrophobicContact CD1-CG 4.34Å |
| 1314 | R | 61.5 | Low | 58.8 | Low | 83 Ų | 83 | 86.4 Ų | 86.4 | 31% | 0.313 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.4 | -41.3 | 171.4 | -82.2 | -173.2 | -169.6 | -165.2 | -2.3 | 113.2 | E1310 E1312 T1316 S1317 A1318 Q1389 N1390 | E1310-R1314 PolarHBondContact O-N 2.67Å; E1310-R1314 IonicContact OE1-CZ 2.75Å; E1310-R1314 VanDerWaalsContact OE1-CZ 3.26Å; E1310-R1314 IonicContact OE1-NE 3.77Å; E1310-R1314 PolarHBondContact OE1-NE 2.55Å; E1310-R1314 IonicContact OE1-NH2 2.98Å; E1310-R1314 PolarHBondContact OE1-NH2 3.06Å; E1310-R1314 IonicContact OE2-CZ 2.62Å; E1310-R1314 IonicContact OE2-NE 3.97Å; E1310-R1314 PolarHBondContact OE2-NE 3.04Å; E1310-R1314 IonicContact OE2-NH2 3.09Å; E1312-R1314 VanDerWaalsContact C-N 3.31Å; E1312-R1314 PolarHBondContact O-N 2.89Å; R1314-T1316 VanDerWaalsContact C-N 3.31Å; R1314-T1316 PolarHBondContact O-N 3.4Å; R1314-S1317 WeakPolarHBondContact CA-OG 3.48Å; R1314-S1317 PolarHBondContact O-N 2.87Å; R1314-S1317 VanDerWaalsContact O-N 3.11Å; R1314-S1317 PolarHBondContact O-OG 3.38Å; R1314-A1318 PolarHBondContact O-N 3.39Å; R1314-Q1389 PolarHBondContact NH1-O 3.02Å; R1314-Q1389 PolarHBondContact NH2-O 2.96Å; R1314-N1390 PolarHBondContact NH2-O 2.88Å |
| 1315 | K | 59.1 | Low | 56 | Low | 145 Ų | 145 | 86.3 Ų | 86.3 | 63% | 0.63 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62 | -40.4 | 178 | -74.9 | 178.1 | 179.9 | -178 | 0 | 111.5 | C1311 E1312 S1317 A1318 D1319 | C1311-K1315 WeakPolarHBondContact O-CG 3.41Å; C1311-K1315 PolarHBondContact O-N 3.18Å; C1311-K1315 VanDerWaalsContact O-N 3.17Å; E1312-K1315 PolarHBondContact O-N 3.3Å; E1312-K1315 VanDerWaalsContact O-N 3.16Å; K1315-S1317 VanDerWaalsContact C-N 3.27Å; K1315-S1317 PolarHBondContact O-N 2.9Å; K1315-A1318 PolarHBondContact O-N 3.22Å; K1315-A1318 VanDerWaalsContact O-N 3.15Å; K1315-D1319 PolarHBondContact O-N 3.1Å; K1315-D1319 VanDerWaalsContact O-N 3.08Å |
| 1316 | T | 53.4 | Low | 53.5 | Low | 95 Ų | 95 | 87.6 Ų | 87.6 | 58% | 0.583 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.3 | -26.5 | 174.9 | 47.3 | 0 | 0 | 0 | 0 | 113.8 | E1312 L1313 R1314 S1320 | E1312-T1316 PolarHBondContact O-N 3.44Å; E1312-T1316 PolarHBondContact O-OG1 3.41Å; L1313-T1316 WeakPolarHBondContact CA-OG1 3.34Å; L1313-T1316 PolarHBondContact O-OG1 3.28Å; R1314-T1316 VanDerWaalsContact C-N 3.31Å; R1314-T1316 PolarHBondContact O-N 3.4Å; T1316-S1320 PolarHBondContact O-OG 2.99Å |
| 1317 | S | 47.7 | Very low | 50.9 | Low | 70 Ų | 70 | 93.9 Ų | 93.9 | 49% | 0.49 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -81 | -22.8 | 173 | 68.4 | 0 | 0 | 0 | 0 | 114 | L1313 R1314 K1315 S1320 | L1313-S1317 PolarHBondContact O-N 3.41Å; R1314-S1317 WeakPolarHBondContact CA-OG 3.48Å; R1314-S1317 PolarHBondContact O-N 2.87Å; R1314-S1317 VanDerWaalsContact O-N 3.11Å; R1314-S1317 PolarHBondContact O-OG 3.38Å; K1315-S1317 VanDerWaalsContact C-N 3.27Å; K1315-S1317 PolarHBondContact O-N 2.9Å; S1317-S1320 PolarHBondContact O-OG 2.84Å |
| 1318 | A | 41.7 | Very low | 48.7 | Very low | 57 Ų | 57 | 95.3 Ų | 95.3 | 47% | 0.471 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -85.6 | -32.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1314 K1315 S1320 T1321 | R1314-A1318 PolarHBondContact O-N 3.39Å; K1315-A1318 PolarHBondContact O-N 3.22Å; K1315-A1318 VanDerWaalsContact O-N 3.15Å; A1318-S1320 VanDerWaalsContact C-N 3.28Å; A1318-S1320 PolarHBondContact O-N 2.94Å; A1318-T1321 PolarHBondContact O-OG1 2.95Å |
| 1319 | D | 38.2 | Very low | 46.6 | Very low | 136 Ų | 136 | 93.2 Ų | 93.2 | 73% | 0.727 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -9.6 | 176.6 | -74.2 | -25.2 | 0 | 0 | 0 | 113.3 | K1315 T1321 | K1315-D1319 PolarHBondContact O-N 3.1Å; K1315-D1319 VanDerWaalsContact O-N 3.08Å; D1319-T1321 VanDerWaalsContact C-N 3.32Å; D1319-T1321 PolarHBondContact O-N 3.45Å |
| 1320 | S | 37.5 | Very low | 45 | Very low | 75 Ų | 75 | 99.2 Ų | 99.2 | 52% | 0.524 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87 | 13.1 | 174.6 | 52 | 0 | 0 | 0 | 0 | 114.6 | T1316 S1317 A1318 S1322 | T1316-S1320 PolarHBondContact O-OG 2.99Å; S1317-S1320 PolarHBondContact O-OG 2.84Å; A1318-S1320 VanDerWaalsContact C-N 3.28Å; A1318-S1320 PolarHBondContact O-N 2.94Å; S1320-S1322 PolarHBondContact O-N 3.22Å |
| 1321 | T | 33.1 | Very low | 43.4 | Very low | 125 Ų | 125 | 108.7 Ų | 108.7 | 77% | 0.767 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 31.1 | 174.6 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | A1318 D1319 | A1318-T1321 PolarHBondContact O-OG1 2.95Å; D1319-T1321 VanDerWaalsContact C-N 3.32Å; D1319-T1321 PolarHBondContact O-N 3.45Å |
| 1322 | S | 31 | Very low | 42 | Very low | 104 Ų | 104 | 108 Ų | 108 | 73% | 0.727 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140 | 4.1 | 177 | 62 | 0 | 0 | 0 | 0 | 116.5 | S1320 | S1320-S1322 PolarHBondContact O-N 3.22Š|
| 1323 | V | 28 | Very low | 41 | Very low | 109 Ų | 109 | 104.1 Ų | 104.1 | 66% | 0.661 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -139.8 | 114.5 | 173.5 | -174.7 | 0 | 0 | 0 | 0 | 110.6 | L1325 | V1323-L1325 PolarHBondContact O-N 2.93Š|
| 1324 | S | 28.4 | Very low | 40.5 | Very low | 115 Ų | 115 | 106 Ų | 106 | 80% | 0.804 | 60% | 0.599 | S | S | * | * | trans | -55.6 | 118.7 | 177.8 | 56.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1325 | L | 28.8 | Very low | 40.5 | Very low | 131 Ų | 131 | 106.2 Ų | 106.2 | 69% | 0.686 | 61% | 0.609 | S | S | * | * | trans | -141.6 | 89.8 | 166.4 | -88 | 161.6 | 0 | 0 | 0 | 108.7 | V1323 | V1323-L1325 PolarHBondContact O-N 2.93Š| ||
| 1326 | H | 31.6 | Very low | 40.8 | Very low | 161 Ų | 161 | 102.2 Ų | 102.2 | 75% | 0.745 | 59% | 0.594 | S | S | * | * | trans | -90.6 | 139.1 | 161.2 | -87.8 | -56.9 | 0 | 0 | 0 | 109.3 | ||||
| 1327 | N | 29.1 | Very low | 41.5 | Very low | 131 Ų | 131 | 102 Ų | 102 | 70% | 0.701 | 59% | 0.59 | S | S | * | * | S | Bend | trans | 88.3 | 53.1 | -178.9 | -58.1 | -19.8 | 0 | 0 | 0 | 117 | ||
| 1328 | S | 33.5 | Very low | 42.7 | Very low | 70 Ų | 70 | 101.6 Ų | 101.6 | 49% | 0.49 | 59% | 0.587 | S | S | . | * | trans | -156.2 | 18.1 | 149.6 | 61.8 | 0 | 0 | 0 | 0 | 115.4 | D1330 R1331 | S1328-D1330 VanDerWaalsContact C-N 3.33Å; S1328-D1330 PolarHBondContact O-N 3.4Å; S1328-R1331 PolarHBondContact O-N 3.14Å; S1328-R1331 VanDerWaalsContact O-N 3.16Å | ||
| 1329 | D | 38.5 | Very low | 44.3 | Very low | 94 Ų | 94 | 101.8 Ų | 101.8 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -73.6 | -12.8 | -164.1 | -73 | -34.3 | 0 | 0 | 0 | 116.5 | S1332 A1333 | D1329-S1332 PolarHBondContact O-OG 2.95Å; D1329-A1333 WeakPolarHBondContact O-CB 3.35Å; D1329-A1333 PolarHBondContact O-N 2.86Å |
| 1330 | D | 41.8 | Very low | 46.1 | Very low | 140 Ų | 140 | 95.7 Ų | 95.7 | 75% | 0.749 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -74.7 | -26.7 | 172.1 | -97.8 | -17 | 0 | 0 | 0 | 112.6 | S1328 T1334 | S1328-D1330 VanDerWaalsContact C-N 3.33Å; S1328-D1330 PolarHBondContact O-N 3.4Å; D1330-T1334 WeakPolarHBondContact O-CB 3.43Å; D1330-T1334 WeakPolarHBondContact O-CG2 3.22Å; D1330-T1334 PolarHBondContact O-N 3.42Å; D1330-T1334 PolarHBondContact O-OG1 3.18Å |
| 1331 | R | 40.2 | Very low | 48.2 | Very low | 206 Ų | 206 | 95.5 Ų | 95.5 | 78% | 0.777 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -81.8 | -35.8 | -179.6 | -75.2 | -172.1 | 177.5 | -178.5 | 1.2 | 112.6 | S1328 T1334 V1335 | S1328-R1331 PolarHBondContact O-N 3.14Å; S1328-R1331 VanDerWaalsContact O-N 3.16Å; R1331-T1334 WeakPolarHBondContact CA-OG1 3.36Å; R1331-T1334 PolarHBondContact O-OG1 3.21Å; R1331-V1335 WeakPolarHBondContact O-CB 3.15Å; R1331-V1335 WeakPolarHBondContact O-CG2 3.3Å; R1331-V1335 PolarHBondContact O-N 3.07Å; R1331-V1335 VanDerWaalsContact O-N 3.1Å |
| 1332 | S | 42 | Very low | 50.3 | Low | 53 Ų | 53 | 97 Ų | 97 | 37% | 0.371 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.6 | -45.9 | 175.7 | 54.7 | 0 | 0 | 0 | 0 | 110.8 | D1329 T1334 V1335 I1336 | D1329-S1332 PolarHBondContact O-OG 2.95Å; S1332-T1334 PolarHBondContact O-N 3.32Å; S1332-V1335 PolarHBondContact O-N 3.12Å; S1332-I1336 WeakPolarHBondContact O-CG1 3.44Å; S1332-I1336 PolarHBondContact O-N 2.98Å |
| 1333 | A | 48.2 | Very low | 52.8 | Low | 42 Ų | 42 | 93.8 Ų | 93.8 | 35% | 0.347 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65 | -38.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1329 N1337 | D1329-A1333 WeakPolarHBondContact O-CB 3.35Å; D1329-A1333 PolarHBondContact O-N 2.86Å; A1333-N1337 WeakPolarHBondContact O-CB 3.39Å; A1333-N1337 PolarHBondContact O-N 3.1Å; A1333-N1337 PolarHBondContact O-ND2 2.79Å |
| 1334 | T | 57.4 | Low | 55.5 | Low | 84 Ų | 84 | 89.7 Ų | 89.7 | 52% | 0.515 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.4 | -38.2 | 174.4 | 42.7 | 0 | 0 | 0 | 0 | 112.5 | D1330 R1331 S1332 S1338 | D1330-T1334 WeakPolarHBondContact O-CB 3.43Å; D1330-T1334 WeakPolarHBondContact O-CG2 3.22Å; D1330-T1334 PolarHBondContact O-N 3.42Å; D1330-T1334 PolarHBondContact O-OG1 3.18Å; R1331-T1334 WeakPolarHBondContact CA-OG1 3.36Å; R1331-T1334 PolarHBondContact O-OG1 3.21Å; S1332-T1334 PolarHBondContact O-N 3.32Å; T1334-S1338 VanDerWaalsContact O-CB 3.3Å; T1334-S1338 WeakPolarHBondContact O-CB 3.17Å; T1334-S1338 PolarHBondContact O-N 3.34Å |
| 1335 | V | 60.9 | Low | 58 | Low | 87 Ų | 87 | 87.9 Ų | 87.9 | 53% | 0.527 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.1 | -46.7 | 175.3 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | R1331 S1332 N1337 S1338 V1339 | R1331-V1335 WeakPolarHBondContact O-CB 3.15Å; R1331-V1335 WeakPolarHBondContact O-CG2 3.3Å; R1331-V1335 PolarHBondContact O-N 3.07Å; R1331-V1335 VanDerWaalsContact O-N 3.1Å; S1332-V1335 PolarHBondContact O-N 3.12Å; V1335-N1337 PolarHBondContact O-N 3.37Å; V1335-S1338 PolarHBondContact O-N 3.45Å; V1335-S1338 VanDerWaalsContact O-N 3.14Å; V1335-S1338 PolarHBondContact O-OG 3.09Å; V1335-V1339 WeakPolarHBondContact O-CG2 3.27Å; V1335-V1339 PolarHBondContact O-N 2.9Å |
| 1336 | I | 65.2 | Low | 60.6 | Low | 62 Ų | 62 | 85.2 Ų | 85.2 | 32% | 0.318 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.1 | -47.5 | 177.6 | -66.7 | 171.3 | 0 | 0 | 0 | 110.8 | L1313 S1332 S1338 V1339 L1340 | L1313-I1336 HydrophobicContact CD1-CG2 4.29Å; L1313-I1336 HydrophobicContact CD2-CG1 4.14Å; L1313-I1336 HydrophobicContact CD2-CG2 4.46Å; S1332-I1336 WeakPolarHBondContact O-CG1 3.44Å; S1332-I1336 PolarHBondContact O-N 2.98Å; I1336-S1338 VanDerWaalsContact C-N 3.33Å; I1336-S1338 PolarHBondContact O-N 3.19Å; I1336-V1339 PolarHBondContact O-N 3.27Å; I1336-L1340 HydrophobicContact CG2-CD1 4.14Å; I1336-L1340 PolarHBondContact O-N 2.76Å |
| 1337 | N | 69.2 | Low | 63.2 | Low | 91 Ų | 91 | 77.5 Ų | 77.5 | 49% | 0.487 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.5 | -37.1 | 176 | -79.3 | -35.6 | 0 | 0 | 0 | 112.3 | A1333 V1335 V1339 L1340 Q1341 | A1333-N1337 WeakPolarHBondContact O-CB 3.39Å; A1333-N1337 PolarHBondContact O-N 3.1Å; A1333-N1337 PolarHBondContact O-ND2 2.79Å; V1335-N1337 PolarHBondContact O-N 3.37Å; N1337-V1339 VanDerWaalsContact C-N 3.33Å; N1337-V1339 PolarHBondContact O-N 2.79Å; N1337-L1340 PolarHBondContact O-N 2.95Å; N1337-Q1341 VanDerWaalsContact O-CB 3.24Å; N1337-Q1341 WeakPolarHBondContact O-CB 3.38Å; N1337-Q1341 PolarHBondContact O-N 3.12Å |
| 1338 | S | 71.9 | Confident | 65.9 | Low | 61 Ų | 61 | 73.9 Ų | 73.9 | 43% | 0.427 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66 | -35.2 | 176.9 | 80.5 | 0 | 0 | 0 | 0 | 112.8 | T1334 V1335 I1336 K1342 | T1334-S1338 VanDerWaalsContact O-CB 3.3Å; T1334-S1338 WeakPolarHBondContact O-CB 3.17Å; T1334-S1338 PolarHBondContact O-N 3.34Å; V1335-S1338 PolarHBondContact O-N 3.45Å; V1335-S1338 VanDerWaalsContact O-N 3.14Å; V1335-S1338 PolarHBondContact O-OG 3.09Å; I1336-S1338 VanDerWaalsContact C-N 3.33Å; I1336-S1338 PolarHBondContact O-N 3.19Å; S1338-K1342 PolarHBondContact O-N 3.44Å |
| 1339 | V | 75.1 | Confident | 68.4 | Low | 61 Ų | 61 | 74.3 Ų | 74.3 | 37% | 0.37 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -72 | -46.1 | 177.3 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | V1335 I1336 N1337 Q1341 K1342 L1343 | V1335-V1339 WeakPolarHBondContact O-CG2 3.27Å; V1335-V1339 PolarHBondContact O-N 2.9Å; I1336-V1339 PolarHBondContact O-N 3.27Å; N1337-V1339 VanDerWaalsContact C-N 3.33Å; N1337-V1339 PolarHBondContact O-N 2.79Å; V1339-Q1341 VanDerWaalsContact C-N 3.31Å; V1339-Q1341 PolarHBondContact O-N 2.87Å; V1339-K1342 PolarHBondContact O-N 3.5Å; V1339-L1343 HydrophobicContact CG1-CD1 4.35Å; V1339-L1343 WeakPolarHBondContact O-CG 3.44Å; V1339-L1343 PolarHBondContact O-N 3.32Å |
| 1340 | L | 76.8 | Confident | 70.6 | Confident | 8 Ų | 8 | 70.3 Ų | 70.3 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 175 | -79.7 | 167.7 | 0 | 0 | 0 | 111.8 | E1310 L1313 I1336 N1337 L1343 Y1344 L1394 | E1310-L1340 HydrophobicContact CB-CD2 3.95Å; E1310-L1340 HydrophobicContact CG-CD1 4.43Å; E1310-L1340 HydrophobicContact CG-CD2 3.94Å; L1313-L1340 HydrophobicContact CD1-CG 4.34Å; I1336-L1340 HydrophobicContact CG2-CD1 4.14Å; I1336-L1340 PolarHBondContact O-N 2.76Å; N1337-L1340 PolarHBondContact O-N 2.95Å; L1340-L1343 PolarHBondContact O-N 3.42Å; L1340-Y1344 PolarHBondContact O-N 2.66Å; L1340-L1394 HydrophobicContact CB-CD1 4.18Å; L1340-L1394 HydrophobicContact CD2-CD1 4.2Å |
| 1341 | Q | 80.7 | Confident | 72.8 | Confident | 71 Ų | 71 | 64 Ų | 64 | 33% | 0.332 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 177.6 | -166.8 | 60.8 | 47.1 | 0 | 0 | 111.8 | N1337 V1339 L1343 Y1344 D1345 Q1397 | N1337-Q1341 VanDerWaalsContact O-CB 3.24Å; N1337-Q1341 WeakPolarHBondContact O-CB 3.38Å; N1337-Q1341 PolarHBondContact O-N 3.12Å; V1339-Q1341 VanDerWaalsContact C-N 3.31Å; V1339-Q1341 PolarHBondContact O-N 2.87Å; Q1341-L1343 VanDerWaalsContact C-N 3.34Å; Q1341-L1343 PolarHBondContact O-N 2.9Å; Q1341-Y1344 WeakPolarHBondContact O-CB 3.33Å; Q1341-Y1344 PolarHBondContact O-N 3.23Å; Q1341-D1345 PolarHBondContact NE2-OD1 2.9Å; Q1341-D1345 PolarHBondContact O-N 3.02Å; Q1341-Q1397 VanDerWaalsContact OE1-NE2 3.07Å |
| 1342 | K | 79 | Confident | 75 | Confident | 155 Ų | 155 | 59.1 Ų | 59.1 | 67% | 0.674 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.1 | -41.2 | 172.7 | -90.5 | -178.9 | 174.8 | 175.7 | 0 | 112.9 | S1338 V1339 Y1344 D1345 N1346 | S1338-K1342 PolarHBondContact O-N 3.44Å; V1339-K1342 PolarHBondContact O-N 3.5Å; K1342-Y1344 VanDerWaalsContact C-N 3.34Å; K1342-D1345 PolarHBondContact O-N 3.36Å; K1342-N1346 PolarHBondContact O-N 2.87Å; K1342-N1346 VanDerWaalsContact O-N 3.14Å; K1342-N1346 PolarHBondContact O-ND2 3.26Å |
| 1343 | L | 82 | Confident | 77.1 | Confident | 38 Ų | 38 | 59.1 Ų | 59.1 | 20% | 0.199 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 176.7 | -71.2 | 170 | 0 | 0 | 0 | 111 | L1306 V1339 L1340 Q1341 N1346 V1347 | L1306-L1343 HydrophobicContact CB-CB 4.38Å; L1306-L1343 VanDerWaalsContact CD1-C 3.44Å; L1306-L1343 HydrophobicContact CD1-CB 3.69Å; L1306-L1343 HydrophobicContact CG-CB 4.42Å; V1339-L1343 HydrophobicContact CG1-CD1 4.35Å; V1339-L1343 WeakPolarHBondContact O-CG 3.44Å; V1339-L1343 PolarHBondContact O-N 3.32Å; L1340-L1343 PolarHBondContact O-N 3.42Å; Q1341-L1343 VanDerWaalsContact C-N 3.34Å; Q1341-L1343 PolarHBondContact O-N 2.9Å; L1343-N1346 WeakPolarHBondContact O-CB 3.49Å; L1343-N1346 PolarHBondContact O-N 3.21Å; L1343-V1347 WeakPolarHBondContact O-CG2 3.3Å; L1343-V1347 PolarHBondContact O-N 2.91Å |
| 1344 | Y | 84.3 | Confident | 79 | Confident | 22 Ų | 22 | 57.3 Ų | 57.3 | 9% | 0.086 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 174.3 | 176.7 | -95.1 | 0 | 0 | 0 | 112 | L1306 L1340 Q1341 K1342 N1346 V1347 H1348 Q1397 L1398 I1401 | L1306-Y1344 VanDerWaalsContact CD1-N 3.27Å; L1340-Y1344 PolarHBondContact O-N 2.66Å; Q1341-Y1344 WeakPolarHBondContact O-CB 3.33Å; Q1341-Y1344 PolarHBondContact O-N 3.23Å; K1342-Y1344 VanDerWaalsContact C-N 3.34Å; Y1344-N1346 PolarHBondContact O-N 2.98Å; Y1344-V1347 WeakPolarHBondContact O-CB 3.26Å; Y1344-V1347 PolarHBondContact O-N 2.75Å; Y1344-V1347 VanDerWaalsContact O-N 3.08Å; Y1344-H1348 PolarHBondContact O-N 3Å; Y1344-Q1397 HydrophobicContact CD2-CB 4.01Å; Y1344-Q1397 HydrophobicContact CE1-CB 4.41Å; Y1344-Q1397 VanDerWaalsContact CE2-C 3.45Å; Y1344-Q1397 HydrophobicContact CE2-CB 3.48Å; Y1344-Q1397 VanDerWaalsContact CE2-CB 3.48Å; Y1344-Q1397 WeakPolarHBondContact CE2-O 3.41Å; Y1344-Q1397 PolarHBondContact OH-O 2.81Å; Y1344-L1398 HydrophobicContact CD2-CD2 4.15Å; Y1344-L1398 HydrophobicContact CE2-CD2 4.23Å; Y1344-I1401 HydrophobicContact CD2-CD1 4.32Å; Y1344-I1401 HydrophobicContact CE2-CD1 3.56Å; Y1344-I1401 HydrophobicContact CE2-CG1 4.03Å |
| 1345 | D | 82 | Confident | 80.4 | Confident | 78 Ų | 78 | 54 Ų | 54 | 42% | 0.417 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.8 | -34.9 | 179.1 | -65.2 | -18.5 | 0 | 0 | 0 | 111.5 | Q1341 K1342 H1348 Q1349 | Q1341-D1345 PolarHBondContact NE2-OD1 2.9Å; Q1341-D1345 PolarHBondContact O-N 3.02Å; K1342-D1345 PolarHBondContact O-N 3.36Å; D1345-H1348 PolarHBondContact O-N 2.96Å; D1345-Q1349 PolarHBondContact O-N 3.34Å |
| 1346 | N | 84.3 | Confident | 81.5 | Confident | 74 Ų | 74 | 53.2 Ų | 53.2 | 40% | 0.396 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 172.8 | -71.9 | -27.7 | 0 | 0 | 0 | 112.2 | K1342 L1343 Y1344 H1348 Q1349 A1350 | K1342-N1346 PolarHBondContact O-N 2.87Å; K1342-N1346 VanDerWaalsContact O-N 3.14Å; K1342-N1346 PolarHBondContact O-ND2 3.26Å; L1343-N1346 WeakPolarHBondContact O-CB 3.49Å; L1343-N1346 PolarHBondContact O-N 3.21Å; Y1344-N1346 PolarHBondContact O-N 2.98Å; N1346-H1348 VanDerWaalsContact C-N 3.32Å; N1346-Q1349 PolarHBondContact O-N 3.02Å; N1346-A1350 WeakPolarHBondContact O-CB 3.5Å; N1346-A1350 PolarHBondContact O-N 3.31Å |
| 1347 | V | 85.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 175.2 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | F1299 S1302 W1303 L1306 L1343 Y1344 A1350 N1351 I1401 | F1299-V1347 HydrophobicContact CE2-CG1 4.15Å; S1302-V1347 WeakPolarHBondContact O-CG2 3.45Å; W1303-V1347 HydrophobicContact CD2-CG1 4.44Å; W1303-V1347 HydrophobicContact CE3-CG1 3.5Å; W1303-V1347 HydrophobicContact CZ3-CG1 3.89Å; L1306-V1347 HydrophobicContact CB-CG2 4.22Å; L1306-V1347 HydrophobicContact CD1-CG2 4.38Å; L1343-V1347 WeakPolarHBondContact O-CG2 3.3Å; L1343-V1347 PolarHBondContact O-N 2.91Å; Y1344-V1347 WeakPolarHBondContact O-CB 3.26Å; Y1344-V1347 PolarHBondContact O-N 2.75Å; Y1344-V1347 VanDerWaalsContact O-N 3.08Å; V1347-A1350 PolarHBondContact O-N 3.12Å; V1347-N1351 WeakPolarHBondContact O-CB 3.43Å; V1347-N1351 PolarHBondContact O-N 3.41Å; V1347-I1401 HydrophobicContact CB-CD1 4.47Å; V1347-I1401 HydrophobicContact CG1-CD1 3.86Å |
| 1348 | H | 86.1 | Confident | 83.5 | Confident | 54 Ų | 54 | 46.4 Ų | 46.4 | 25% | 0.25 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.6 | -43.9 | 178.2 | -170.1 | -76.5 | 0 | 0 | 0 | 112.1 | Y1344 D1345 N1346 N1351 Q1352 I1401 | Y1344-H1348 PolarHBondContact O-N 3Å; D1345-H1348 PolarHBondContact O-N 2.96Å; N1346-H1348 VanDerWaalsContact C-N 3.32Å; H1348-N1351 PolarHBondContact O-N 2.87Å; H1348-Q1352 PolarHBondContact O-N 3.41Å; H1348-I1401 HydrophobicContact CB-CD1 4.2Å |
| 1349 | Q | 84.4 | Confident | 84.2 | Confident | 80 Ų | 80 | 46.4 Ų | 46.4 | 37% | 0.374 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 174.3 | -88.5 | -170.4 | 0.3 | 0 | 0 | 112.4 | D1345 N1346 N1351 Q1352 R1353 | D1345-Q1349 PolarHBondContact O-N 3.34Å; N1346-Q1349 PolarHBondContact O-N 3.02Å; Q1349-N1351 VanDerWaalsContact C-N 3.32Å; Q1349-N1351 PolarHBondContact O-N 3.43Å; Q1349-Q1352 PolarHBondContact O-N 3.47Å; Q1349-R1353 WeakPolarHBondContact O-CG 3.42Å; Q1349-R1353 PolarHBondContact O-N 2.95Å |
| 1350 | A | 85.8 | Confident | 84.7 | Confident | 10 Ų | 10 | 48.5 Ų | 48.5 | 8% | 0.083 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.7 | -43.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1298 F1299 N1346 V1347 R1353 L1354 | I1298-A1350 HydrophobicContact CG2-CB 4.21Å; F1299-A1350 HydrophobicContact CB-CB 4.47Å; F1299-A1350 HydrophobicContact CD2-CB 4.34Å; N1346-A1350 WeakPolarHBondContact O-CB 3.5Å; N1346-A1350 PolarHBondContact O-N 3.31Å; V1347-A1350 PolarHBondContact O-N 3.12Å; A1350-R1353 PolarHBondContact O-N 3.37Å; A1350-L1354 WeakPolarHBondContact O-CB 3.46Å; A1350-L1354 PolarHBondContact O-N 3.23Å |
| 1351 | N | 87.7 | Confident | 85.1 | Confident | 8 Ų | 8 | 50.9 Ų | 50.9 | 4% | 0.043 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.4 | -47.1 | 175.1 | -174.3 | 58.1 | 0 | 0 | 0 | 112 | F1299 V1347 H1348 Q1349 R1353 L1354 V1355 I1401 S1405 | F1299-N1351 HydrophobicContact CD2-CB 4.1Å; F1299-N1351 HydrophobicContact CE2-CB 3.83Å; V1347-N1351 WeakPolarHBondContact O-CB 3.43Å; V1347-N1351 PolarHBondContact O-N 3.41Å; H1348-N1351 PolarHBondContact O-N 2.87Å; Q1349-N1351 VanDerWaalsContact C-N 3.32Å; Q1349-N1351 PolarHBondContact O-N 3.43Å; N1351-R1353 VanDerWaalsContact C-N 3.3Å; N1351-R1353 PolarHBondContact O-N 3.41Å; N1351-L1354 PolarHBondContact O-N 3.07Å; N1351-V1355 WeakPolarHBondContact O-CB 3.36Å; N1351-V1355 VanDerWaalsContact O-CG2 3.27Å; N1351-V1355 WeakPolarHBondContact O-CG2 3.3Å; N1351-V1355 PolarHBondContact O-N 3.39Å; N1351-I1401 HydrophobicContact CB-CG2 3.94Å; N1351-I1401 WeakPolarHBondContact ND2-CG2 3.38Å; N1351-S1405 PolarHBondContact ND2-OG 2.71Å; N1351-S1405 PolarHBondContact OD1-OG 2.91Å |
| 1352 | Q | 87.3 | Confident | 85.2 | Confident | 103 Ų | 103 | 48 Ų | 48 | 48% | 0.481 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.4 | -39.1 | 177.5 | -84.7 | -170.7 | -25.7 | 0 | 0 | 112.5 | H1348 Q1349 V1355 N1356 | H1348-Q1352 PolarHBondContact O-N 3.41Å; Q1349-Q1352 PolarHBondContact O-N 3.47Å; Q1352-V1355 PolarHBondContact O-N 3.04Å; Q1352-N1356 VanDerWaalsContact O-CB 3.31Å; Q1352-N1356 WeakPolarHBondContact O-CB 3.43Å; Q1352-N1356 PolarHBondContact O-N 3.32Å; Q1352-N1356 PolarHBondContact O-ND2 3.41Å |
| 1353 | R | 85.2 | Confident | 85.2 | Confident | 53 Ų | 53 | 44.7 Ų | 44.7 | 20% | 0.2 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.2 | -47.4 | 176.1 | -70.2 | -98.2 | -179.2 | 94.4 | 7.1 | 111.3 | Y1295 Q1349 A1350 N1351 N1356 F1357 | Y1295-R1353 HydrophobicContact CD1-CB 4.43Å; Y1295-R1353 HydrophobicContact CE1-CB 4.29Å; Q1349-R1353 WeakPolarHBondContact O-CG 3.42Å; Q1349-R1353 PolarHBondContact O-N 2.95Å; A1350-R1353 PolarHBondContact O-N 3.37Å; N1351-R1353 VanDerWaalsContact C-N 3.3Å; N1351-R1353 PolarHBondContact O-N 3.41Å; R1353-N1356 PolarHBondContact O-N 3.17Å; R1353-F1357 WeakPolarHBondContact O-CB 3.13Å; R1353-F1357 PolarHBondContact O-N 3.34Å |
| 1354 | L | 87.8 | Confident | 85.1 | Confident | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.8 | -46.2 | 177.3 | -173.9 | 71.2 | 0 | 0 | 0 | 111 | E1296 F1299 A1350 N1351 N1356 F1357 C1358 M1378 L1381 | E1296-L1354 HydrophobicContact CG-CD1 4.1Å; F1299-L1354 HydrophobicContact CB-CD2 4.37Å; F1299-L1354 HydrophobicContact CG-CD2 4.42Å; A1350-L1354 WeakPolarHBondContact O-CB 3.46Å; A1350-L1354 PolarHBondContact O-N 3.23Å; N1351-L1354 PolarHBondContact O-N 3.07Å; L1354-N1356 PolarHBondContact O-N 2.69Å; L1354-F1357 WeakPolarHBondContact O-CB 3.35Å; L1354-F1357 PolarHBondContact O-N 3.45Å; L1354-C1358 PolarHBondContact O-N 3.37Å; L1354-C1358 PolarHBondContact O-SG 3.49Å; L1354-M1378 HydrophobicContact CD2-CE 3.95Å; L1354-M1378 HydrophobicContact CD2-SD 3.37Å; L1354-M1378 WeakPolarHBondContact CD2-SD 3.33Å; L1354-M1378 HydrophobicContact CG-CE 4.2Å; L1354-M1378 HydrophobicContact CG-SD 3.67Å; L1354-L1381 HydrophobicContact CD2-CD2 3.87Å |
| 1355 | V | 86.6 | Confident | 84.8 | Confident | 15 Ų | 15 | 49.8 Ų | 49.8 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.7 | -48.4 | 175.3 | 168.7 | 0 | 0 | 0 | 0 | 111.7 | N1351 Q1352 F1357 C1358 Q1359 M1378 L1408 | N1351-V1355 WeakPolarHBondContact O-CB 3.36Å; N1351-V1355 VanDerWaalsContact O-CG2 3.27Å; N1351-V1355 WeakPolarHBondContact O-CG2 3.3Å; N1351-V1355 PolarHBondContact O-N 3.39Å; Q1352-V1355 PolarHBondContact O-N 3.04Å; V1355-F1357 VanDerWaalsContact C-N 3.32Å; V1355-F1357 PolarHBondContact O-N 3.45Å; V1355-C1358 PolarHBondContact O-N 3.03Å; V1355-Q1359 PolarHBondContact O-N 3.29Å; V1355-M1378 HydrophobicContact CB-CE 4.44Å; V1355-M1378 HydrophobicContact CG2-CE 3.37Å; V1355-L1408 HydrophobicContact CG1-CD2 3.35Å |
| 1356 | N | 85.4 | Confident | 84.5 | Confident | 69 Ų | 69 | 53.8 Ų | 53.8 | 37% | 0.369 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.7 | -38 | -179.3 | -73.6 | -14.5 | 0 | 0 | 0 | 111.5 | Q1352 R1353 L1354 Q1359 R1360 | Q1352-N1356 VanDerWaalsContact O-CB 3.31Å; Q1352-N1356 WeakPolarHBondContact O-CB 3.43Å; Q1352-N1356 PolarHBondContact O-N 3.32Å; Q1352-N1356 PolarHBondContact O-ND2 3.41Å; R1353-N1356 PolarHBondContact O-N 3.17Å; L1354-N1356 PolarHBondContact O-N 2.69Å; N1356-Q1359 PolarHBondContact O-N 2.88Å; N1356-R1360 WeakPolarHBondContact O-CB 3.45Å; N1356-R1360 WeakPolarHBondContact O-CG 3.26Å; N1356-R1360 PolarHBondContact O-N 3.13Å |
| 1357 | F | 89 | Confident | 84.3 | Confident | 3 Ų | 3 | 55 Ų | 55 | 1% | 0.013 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.7 | -48.8 | 171.8 | 171.8 | -104.5 | 0 | 0 | 0 | 111.1 | E1283 L1288 A1291 T1292 Y1295 R1353 L1354 V1355 Q1359 R1360 R1361 | E1283-F1357 HydrophobicContact CG-CD2 4.15Å; E1283-F1357 HydrophobicContact CG-CE2 4.16Å; L1288-F1357 HydrophobicContact CD2-CE2 4.29Å; A1291-F1357 HydrophobicContact CB-CE2 4.03Å; A1291-F1357 HydrophobicContact CB-CZ 4.15Å; T1292-F1357 HydrophobicContact CG2-CE1 4.12Å; T1292-F1357 WeakPolarHBondContact OG1-CE1 3.26Å; T1292-F1357 WeakPolarHBondContact OG1-CZ 3.29Å; Y1295-F1357 HydrophobicContact CD2-CB 4.06Å; Y1295-F1357 AromaticContact CD2-CD1 3.99Å; Y1295-F1357 HydrophobicContact CD2-CD1 3.99Å; Y1295-F1357 AromaticContact CD2-CD2 3.93Å; Y1295-F1357 HydrophobicContact CD2-CD2 3.93Å; Y1295-F1357 HydrophobicContact CD2-CE1 4.42Å; Y1295-F1357 HydrophobicContact CD2-CE2 4.36Å; Y1295-F1357 AromaticContact CD2-CG 3.71Å; Y1295-F1357 HydrophobicContact CD2-CG 3.71Å; Y1295-F1357 HydrophobicContact CE2-CB 4.07Å; Y1295-F1357 AromaticContact CE2-CD2 3.7Å; Y1295-F1357 HydrophobicContact CE2-CD2 3.7Å; Y1295-F1357 HydrophobicContact CE2-CE2 4.27Å; Y1295-F1357 AromaticContact CE2-CG 3.86Å; Y1295-F1357 HydrophobicContact CE2-CG 3.86Å; R1353-F1357 WeakPolarHBondContact O-CB 3.13Å; R1353-F1357 PolarHBondContact O-N 3.34Å; L1354-F1357 WeakPolarHBondContact O-CB 3.35Å; L1354-F1357 PolarHBondContact O-N 3.45Å; V1355-F1357 VanDerWaalsContact C-N 3.32Å; V1355-F1357 PolarHBondContact O-N 3.45Å; F1357-Q1359 PolarHBondContact O-N 3.46Å; F1357-R1360 PolarHBondContact O-N 3.47Å; F1357-R1361 WeakPolarHBondContact O-CB 3.32Å; F1357-R1361 PolarHBondContact O-N 3.09Å |
| 1358 | C | 86.4 | Confident | 84 | Confident | 8 Ų | 8 | 60.2 Ų | 60.2 | 5% | 0.054 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 177 | -67.8 | 0 | 0 | 0 | 0 | 112.5 | L1354 V1355 R1361 C1362 I1374 W1375 | L1354-C1358 PolarHBondContact O-N 3.37Å; L1354-C1358 PolarHBondContact O-SG 3.49Å; V1355-C1358 PolarHBondContact O-N 3.03Å; C1358-R1361 PolarHBondContact O-N 3.43Å; C1358-C1362 WeakPolarHBondContact O-CB 3.49Å; C1358-C1362 PolarHBondContact O-N 3.22Å; C1358-C1362 PolarHBondContact O-SG 3.11Å; C1358-I1374 HydrophobicContact CB-CG2 3.76Å; C1358-W1375 HydrophobicContact CB-CH2 3.97Å; C1358-W1375 HydrophobicContact CB-CZ2 4.3Å; C1358-W1375 HydrophobicContact CB-CZ3 4.16Å |
| 1359 | Q | 87.2 | Confident | 83.7 | Confident | 61 Ų | 61 | 61.3 Ų | 61.3 | 29% | 0.285 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 175.6 | -77.6 | -172.4 | -33.1 | 0 | 0 | 112.5 | V1355 N1356 F1357 R1361 C1362 A1363 W1375 L1408 Y1412 | V1355-Q1359 PolarHBondContact O-N 3.29Å; N1356-Q1359 PolarHBondContact O-N 2.88Å; F1357-Q1359 PolarHBondContact O-N 3.46Å; Q1359-R1361 PolarHBondContact O-N 2.9Å; Q1359-C1362 PolarHBondContact O-N 2.96Å; Q1359-A1363 PolarHBondContact O-N 3.25Å; Q1359-W1375 HydrophobicContact CG-CH2 4.46Å; Q1359-W1375 HydrophobicContact CG-CZ2 4.43Å; Q1359-L1408 HydrophobicContact CG-CD2 4.25Å; Q1359-Y1412 PolarHBondContact NE2-OH 3.45Å |
| 1360 | R | 85.6 | Confident | 83.6 | Confident | 104 Ų | 104 | 62.3 Ų | 62.3 | 39% | 0.392 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.4 | -37.3 | 177 | -76 | -169 | -67.7 | -108.3 | 8.5 | 111.5 | E1283 N1356 F1357 A1363 Q1364 | E1283-R1360 IonicContact OE1-CZ 3.13Å; E1283-R1360 IonicContact OE1-NE 2.82Å; E1283-R1360 PolarHBondContact OE1-NE 2.91Å; E1283-R1360 IonicContact OE1-NH2 2.81Å; E1283-R1360 PolarHBondContact OE1-NH2 3.43Å; E1283-R1360 IonicContact OE2-NH2 2.76Å; E1283-R1360 PolarHBondContact OE2-NH2 3.35Å; E1283-R1360 VanDerWaalsContact OE2-NH2 3.12Å; N1356-R1360 WeakPolarHBondContact O-CB 3.45Å; N1356-R1360 WeakPolarHBondContact O-CG 3.26Å; N1356-R1360 PolarHBondContact O-N 3.13Å; F1357-R1360 PolarHBondContact O-N 3.47Å; R1360-A1363 PolarHBondContact O-N 3.49Å; R1360-Q1364 WeakPolarHBondContact O-CG 3.38Å; R1360-Q1364 PolarHBondContact O-N 2.94Å |
| 1361 | R | 84.2 | Confident | 83.6 | Confident | 58 Ų | 58 | 62.8 Ų | 62.8 | 22% | 0.219 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69 | -44.6 | 175.5 | -160.2 | 175.3 | 176.3 | 149 | -1.8 | 111.7 | L1288 T1292 F1357 C1358 Q1359 A1363 Q1364 T1365 I1374 | L1288-R1361 PolarHBondContact O-NH1 3.39Å; T1292-R1361 PolarHBondContact OG1-NH1 3.49Å; F1357-R1361 WeakPolarHBondContact O-CB 3.32Å; F1357-R1361 PolarHBondContact O-N 3.09Å; C1358-R1361 PolarHBondContact O-N 3.43Å; Q1359-R1361 PolarHBondContact O-N 2.9Å; R1361-A1363 PolarHBondContact O-N 3.36Å; R1361-Q1364 PolarHBondContact O-N 3.29Å; R1361-T1365 WeakPolarHBondContact O-CG2 3.3Å; R1361-I1374 HydrophobicContact CB-CD1 4.24Å; R1361-I1374 HydrophobicContact CG-CD1 3.92Å |
| 1362 | C | 82.3 | Confident | 83.4 | Confident | 11 Ų | 11 | 65.2 Ų | 65.2 | 7% | 0.074 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.7 | -32.1 | 172.8 | -69.3 | 0 | 0 | 0 | 0 | 112.3 | C1358 Q1359 Q1364 W1375 Y1412 | C1358-C1362 WeakPolarHBondContact O-CB 3.49Å; C1358-C1362 PolarHBondContact O-N 3.22Å; C1358-C1362 PolarHBondContact O-SG 3.11Å; Q1359-C1362 PolarHBondContact O-N 2.96Å; C1362-Q1364 PolarHBondContact O-N 2.96Å; C1362-W1375 PolarHBondContact SG-NE1 2.93Å; C1362-W1375 VanDerWaalsContact SG-NE1 3.43Å; C1362-Y1412 HydrophobicContact CB-CE1 4.47Å |
| 1363 | A | 80.6 | Confident | 83.3 | Confident | 86 Ų | 86 | 62.1 Ų | 62.1 | 71% | 0.711 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -15.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q1359 R1360 R1361 | Q1359-A1363 PolarHBondContact O-N 3.25Å; R1360-A1363 PolarHBondContact O-N 3.49Å; R1361-A1363 PolarHBondContact O-N 3.36Å |
| 1364 | Q | 80 | Confident | 83.3 | Confident | 146 Ų | 146 | 60.8 Ų | 60.8 | 68% | 0.682 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -10.4 | 179.5 | -70.8 | 175.6 | 3.4 | 0 | 0 | 113.3 | R1360 R1361 C1362 | R1360-Q1364 WeakPolarHBondContact O-CG 3.38Å; R1360-Q1364 PolarHBondContact O-N 2.94Å; R1361-Q1364 PolarHBondContact O-N 3.29Å; C1362-Q1364 PolarHBondContact O-N 2.96Å |
| 1365 | T | 77.1 | Confident | 83.4 | Confident | 20 Ų | 20 | 60.7 Ų | 60.7 | 12% | 0.123 | 33% | 0.326 | C | S | . | . | trans | -131.1 | 137 | -178.1 | 162.7 | 0 | 0 | 0 | 0 | 111.1 | R1361 D1367 E1370 I1374 | R1361-T1365 WeakPolarHBondContact O-CG2 3.3Å; T1365-D1367 PolarHBondContact OG1-N 3.45Å; T1365-E1370 WeakPolarHBondContact CB-OE2 3.33Å; T1365-E1370 HydrophobicContact CG2-CB 4.43Å; T1365-E1370 PolarHBondContact OG1-OE2 2.93Å; T1365-I1374 HydrophobicContact CG2-CD1 4.45Å | ||
| 1366 | N | 74.8 | Confident | 83.4 | Confident | 162 Ų | 162 | 61.8 Ų | 61.8 | 87% | 0.866 | 33% | 0.33 | S | S | * | . | trans | -99.8 | 1.8 | 175.9 | -76 | -19.9 | 0 | 0 | 0 | 112.5 | ||||
| 1367 | D | 81.2 | Confident | 83.4 | Confident | 100 Ų | 100 | 60.7 Ų | 60.7 | 54% | 0.535 | 33% | 0.327 | S | S | . | . | trans | -88.7 | 118.6 | -170.9 | -144.2 | -9.3 | 0 | 0 | 0 | 110.7 | T1365 S1369 E1370 I1371 | T1365-D1367 PolarHBondContact OG1-N 3.45Å; D1367-S1369 PolarHBondContact O-N 3.37Å; D1367-E1370 HydrophobicContact CB-CB 4.49Å; D1367-E1370 PolarHBondContact O-N 3.39Å; D1367-E1370 VanDerWaalsContact O-N 3.08Å; D1367-I1371 PolarHBondContact O-N 2.87Å | ||
| 1368 | Q | 79.1 | Confident | 83.3 | Confident | 109 Ų | 109 | 60.7 Ų | 60.7 | 51% | 0.509 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.9 | -32.1 | -169.7 | -155.6 | 76 | 19.4 | 0 | 0 | 112.2 | I1371 E1372 | Q1368-I1371 PolarHBondContact O-N 2.86Å; Q1368-E1372 WeakPolarHBondContact O-CG 3.46Å; Q1368-E1372 PolarHBondContact O-N 2.95Å |
| 1369 | S | 79.9 | Confident | 83 | Confident | 78 Ų | 78 | 60.3 Ų | 60.3 | 55% | 0.545 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -71.1 | -33.1 | 177.7 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | D1367 G1373 | D1367-S1369 PolarHBondContact O-N 3.37Å; S1369-G1373 PolarHBondContact O-N 3.44Å |
| 1370 | E | 83 | Confident | 82.8 | Confident | 101 Ų | 101 | 60.1 Ų | 60.1 | 47% | 0.472 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.1 | -40 | 173.2 | -91.7 | -167.2 | 145.5 | 0 | 0 | 110.8 | T1365 D1367 G1373 I1374 | T1365-E1370 WeakPolarHBondContact CB-OE2 3.33Å; T1365-E1370 HydrophobicContact CG2-CB 4.43Å; T1365-E1370 PolarHBondContact OG1-OE2 2.93Å; D1367-E1370 HydrophobicContact CB-CB 4.49Å; D1367-E1370 PolarHBondContact O-N 3.39Å; D1367-E1370 VanDerWaalsContact O-N 3.08Å; E1370-G1373 PolarHBondContact O-N 2.86Å; E1370-I1374 VanDerWaalsContact O-CG1 3.26Å; E1370-I1374 WeakPolarHBondContact O-CG1 3.39Å; E1370-I1374 PolarHBondContact O-N 3.34Å |
| 1371 | I | 84.2 | Confident | 82.8 | Confident | 19 Ų | 19 | 56.2 Ų | 56.2 | 10% | 0.097 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 175.8 | -62.9 | 171.1 | 0 | 0 | 0 | 110.2 | D1367 Q1368 I1374 W1375 | D1367-I1371 PolarHBondContact O-N 2.87Å; Q1368-I1371 PolarHBondContact O-N 2.86Å; I1371-I1374 PolarHBondContact O-N 3.17Å; I1371-W1375 VanDerWaalsContact O-CD1 3.22Å; I1371-W1375 PolarHBondContact O-N 2.88Å |
| 1372 | E | 84.9 | Confident | 82.5 | Confident | 59 Ų | 59 | 53.5 Ų | 53.5 | 28% | 0.276 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -55.9 | -49.7 | 171.6 | -82.6 | 178 | -176.8 | 0 | 0 | 111.4 | Q1368 I1374 W1375 F1376 L1413 | Q1368-E1372 WeakPolarHBondContact O-CG 3.46Å; Q1368-E1372 PolarHBondContact O-N 2.95Å; E1372-I1374 PolarHBondContact O-N 3.38Å; E1372-W1375 PolarHBondContact O-N 3.21Å; E1372-F1376 HydrophobicContact CB-CD2 4.26Å; E1372-F1376 HydrophobicContact CB-CE2 3.81Å; E1372-F1376 HydrophobicContact CB-CZ 4.08Å; E1372-F1376 HydrophobicContact CG-CE2 4.31Å; E1372-F1376 HydrophobicContact CG-CZ 4.13Å; E1372-F1376 VanDerWaalsContact O-CB 3.29Å; E1372-F1376 WeakPolarHBondContact O-CB 3.35Å; E1372-F1376 WeakPolarHBondContact O-CD2 3.37Å; E1372-F1376 WeakPolarHBondContact O-CG 3.41Å; E1372-F1376 PolarHBondContact O-N 3.19Å; E1372-L1413 HydrophobicContact CB-CD2 4.4Å; E1372-L1413 HydrophobicContact CG-CD2 3.44Å; E1372-L1413 VanDerWaalsContact CG-CD2 3.44Å |
| 1373 | G | 85.1 | Confident | 82.2 | Confident | 39 Ų | 39 | 54.4 Ų | 54.4 | 40% | 0.402 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.1 | -42.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1369 E1370 S1377 | S1369-G1373 PolarHBondContact O-N 3.44Å; E1370-G1373 PolarHBondContact O-N 2.86Å; G1373-S1377 PolarHBondContact O-N 3.26Å; G1373-S1377 VanDerWaalsContact O-N 3.13Å |
| 1374 | I | 85.9 | Confident | 82.1 | Confident | 25 Ų | 25 | 58.3 Ų | 58.3 | 13% | 0.128 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.9 | -48.8 | 178 | -67.4 | 162.2 | 0 | 0 | 0 | 110.5 | C1358 R1361 T1365 E1370 I1371 E1372 M1378 | C1358-I1374 HydrophobicContact CB-CG2 3.76Å; R1361-I1374 HydrophobicContact CB-CD1 4.24Å; R1361-I1374 HydrophobicContact CG-CD1 3.92Å; T1365-I1374 HydrophobicContact CG2-CD1 4.45Å; E1370-I1374 VanDerWaalsContact O-CG1 3.26Å; E1370-I1374 WeakPolarHBondContact O-CG1 3.39Å; E1370-I1374 PolarHBondContact O-N 3.34Å; I1371-I1374 PolarHBondContact O-N 3.17Å; E1372-I1374 PolarHBondContact O-N 3.38Å; I1374-M1378 PolarHBondContact O-N 2.93Å |
| 1375 | W | 88.8 | Confident | 81.9 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -77.6 | -26.9 | -177.3 | -70 | 115.9 | 0 | 0 | 0 | 113.3 | C1358 Q1359 C1362 I1371 E1372 M1378 I1379 L1408 V1409 Y1412 L1413 | C1358-W1375 HydrophobicContact CB-CH2 3.97Å; C1358-W1375 HydrophobicContact CB-CZ2 4.3Å; C1358-W1375 HydrophobicContact CB-CZ3 4.16Å; Q1359-W1375 HydrophobicContact CG-CH2 4.46Å; Q1359-W1375 HydrophobicContact CG-CZ2 4.43Å; C1362-W1375 PolarHBondContact SG-NE1 2.93Å; C1362-W1375 VanDerWaalsContact SG-NE1 3.43Å; I1371-W1375 VanDerWaalsContact O-CD1 3.22Å; I1371-W1375 PolarHBondContact O-N 2.88Å; E1372-W1375 PolarHBondContact O-N 3.21Å; W1375-M1378 HydrophobicContact CE3-CB 4.23Å; W1375-M1378 HydrophobicContact CE3-CG 4.25Å; W1375-M1378 HydrophobicContact CZ3-CG 4.39Å; W1375-M1378 WeakPolarHBondContact O-CB 3.26Å; W1375-M1378 PolarHBondContact O-N 3.49Å; W1375-I1379 WeakPolarHBondContact O-CG1 3.36Å; W1375-I1379 PolarHBondContact O-N 2.9Å; W1375-L1408 HydrophobicContact CH2-CD2 3.87Å; W1375-V1409 HydrophobicContact CB-CG1 4.33Å; W1375-V1409 HydrophobicContact CD2-CG2 4.18Å; W1375-V1409 HydrophobicContact CE3-CG2 3.55Å; W1375-V1409 HydrophobicContact CZ3-CG2 4.01Å; W1375-Y1412 AromaticContact CE2-CD2 3.74Å; W1375-Y1412 AromaticContact CE2-CG 3.98Å; W1375-Y1412 HydrophobicContact CH2-CE2 4.48Å; W1375-Y1412 AromaticContact CZ2-CD2 3.58Å; W1375-Y1412 HydrophobicContact CZ2-CD2 3.58Å; W1375-Y1412 AromaticContact CZ2-CE2 3.67Å; W1375-Y1412 HydrophobicContact CZ2-CE2 3.67Å; W1375-Y1412 HydrophobicContact CZ2-CG 4.2Å; W1375-Y1412 AromaticContact NE1-CD1 3.99Å; W1375-Y1412 AromaticContact NE1-CD2 3.72Å; W1375-Y1412 AromaticContact NE1-CG 3.45Å; W1375-L1413 HydrophobicContact CB-CD1 3.65Å; W1375-L1413 HydrophobicContact CG-CD1 4.38Å |
| 1376 | F | 86.7 | Confident | 81.5 | Confident | 39 Ų | 39 | 58.1 Ų | 58.1 | 17% | 0.171 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 170.9 | -69.2 | -18.1 | 0 | 0 | 0 | 111.7 | E1372 M1378 I1379 D1380 L1413 V1417 H1421 | E1372-F1376 HydrophobicContact CB-CD2 4.26Å; E1372-F1376 HydrophobicContact CB-CE2 3.81Å; E1372-F1376 HydrophobicContact CB-CZ 4.08Å; E1372-F1376 HydrophobicContact CG-CE2 4.31Å; E1372-F1376 HydrophobicContact CG-CZ 4.13Å; E1372-F1376 VanDerWaalsContact O-CB 3.29Å; E1372-F1376 WeakPolarHBondContact O-CB 3.35Å; E1372-F1376 WeakPolarHBondContact O-CD2 3.37Å; E1372-F1376 WeakPolarHBondContact O-CG 3.41Å; E1372-F1376 PolarHBondContact O-N 3.19Å; F1376-M1378 VanDerWaalsContact C-N 3.26Å; F1376-M1378 PolarHBondContact O-N 2.89Å; F1376-I1379 HydrophobicContact CD1-CD1 4.33Å; F1376-I1379 PolarHBondContact O-N 3.38Å; F1376-I1379 VanDerWaalsContact O-N 3.14Å; F1376-D1380 WeakPolarHBondContact O-CB 3.47Å; F1376-D1380 VanDerWaalsContact O-CG 3.25Å; F1376-D1380 PolarHBondContact O-N 3.16Å; F1376-L1413 HydrophobicContact CD1-CD1 4.38Å; F1376-L1413 HydrophobicContact CE1-CD1 4.08Å; F1376-V1417 HydrophobicContact CE1-CG1 4.15Å; F1376-V1417 HydrophobicContact CZ-CG1 3.79Å; F1376-H1421 HydrophobicContact CD1-CB 4.21Å; F1376-H1421 AromaticContact CD1-CD2 3.62Å; F1376-H1421 AromaticContact CD1-CG 3.7Å; F1376-H1421 AromaticContact CD1-NE2 3.99Å; F1376-H1421 HydrophobicContact CE1-CB 3.85Å; F1376-H1421 AromaticContact CE1-CG 3.8Å; F1376-H1421 AromaticContact CG-CD2 3.92Å; F1376-H1421 AromaticContact CG-CE1 3.84Å; F1376-H1421 AromaticContact CG-NE2 3.79Å; F1376-H1421 HydrophobicContact CZ-CB 4.28Å |
| 1377 | S | 85.3 | Confident | 81.1 | Confident | 45 Ų | 45 | 52.2 Ų | 52.2 | 32% | 0.315 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56.4 | -43.6 | 173.4 | -158.5 | 0 | 0 | 0 | 0 | 111.5 | E1296 G1373 D1380 L1381 | E1296-S1377 PolarHBondContact OE1-OG 3.12Å; G1373-S1377 PolarHBondContact O-N 3.26Å; G1373-S1377 VanDerWaalsContact O-N 3.13Å; S1377-D1380 PolarHBondContact O-N 3.41Å; S1377-L1381 WeakPolarHBondContact O-CB 3.31Å; S1377-L1381 PolarHBondContact O-N 3.01Å |
| 1378 | M | 86 | Confident | 80.4 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.015 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 176.4 | -169.2 | 86.5 | 166.6 | 0 | 0 | 112.6 | L1354 V1355 I1374 W1375 F1376 L1381 L1382 | L1354-M1378 HydrophobicContact CD2-CE 3.95Å; L1354-M1378 HydrophobicContact CD2-SD 3.37Å; L1354-M1378 WeakPolarHBondContact CD2-SD 3.33Å; L1354-M1378 HydrophobicContact CG-CE 4.2Å; L1354-M1378 HydrophobicContact CG-SD 3.67Å; V1355-M1378 HydrophobicContact CB-CE 4.44Å; V1355-M1378 HydrophobicContact CG2-CE 3.37Å; I1374-M1378 PolarHBondContact O-N 2.93Å; W1375-M1378 HydrophobicContact CE3-CB 4.23Å; W1375-M1378 HydrophobicContact CE3-CG 4.25Å; W1375-M1378 HydrophobicContact CZ3-CG 4.39Å; W1375-M1378 WeakPolarHBondContact O-CB 3.26Å; W1375-M1378 PolarHBondContact O-N 3.49Å; F1376-M1378 VanDerWaalsContact C-N 3.26Å; F1376-M1378 PolarHBondContact O-N 2.89Å; M1378-L1381 PolarHBondContact O-N 3.42Å; M1378-L1382 HydrophobicContact CG-CD1 4.46Å; M1378-L1382 WeakPolarHBondContact O-CB 3.04Å; M1378-L1382 WeakPolarHBondContact O-CG 3.26Å; M1378-L1382 PolarHBondContact O-N 3.06Å |
| 1379 | I | 81.8 | Confident | 79.6 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 177 | -71.1 | 166.4 | 0 | 0 | 0 | 110.1 | W1375 F1376 L1381 L1382 M1383 F1406 V1409 I1418 I1422 I1425 | W1375-I1379 WeakPolarHBondContact O-CG1 3.36Å; W1375-I1379 PolarHBondContact O-N 2.9Å; F1376-I1379 HydrophobicContact CD1-CD1 4.33Å; F1376-I1379 PolarHBondContact O-N 3.38Å; F1376-I1379 VanDerWaalsContact O-N 3.14Å; I1379-L1381 VanDerWaalsContact C-N 3.29Å; I1379-L1381 PolarHBondContact O-N 3.11Å; I1379-L1382 PolarHBondContact O-N 3.19Å; I1379-M1383 HydrophobicContact CG2-CG 4.19Å; I1379-M1383 WeakPolarHBondContact O-CB 3.39Å; I1379-M1383 VanDerWaalsContact O-CG 3.27Å; I1379-M1383 WeakPolarHBondContact O-CG 3.43Å; I1379-M1383 PolarHBondContact O-N 3.31Å; I1379-F1406 HydrophobicContact CG1-CZ 4.18Å; I1379-F1406 HydrophobicContact CG2-CZ 4.28Å; I1379-V1409 HydrophobicContact CD1-CG1 4.18Å; I1379-I1418 HydrophobicContact CD1-CG2 4.38Å; I1379-I1422 HydrophobicContact CG2-CG1 4.28Å; I1379-I1425 HydrophobicContact CG2-CD1 4.41Å |
| 1380 | D | 83.2 | Confident | 78.7 | Confident | 57 Ų | 57 | 53.1 Ų | 53.1 | 31% | 0.305 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.7 | -38.2 | -179.4 | -68.4 | -3.3 | 0 | 0 | 0 | 111.3 | F1376 S1377 K1384 H1421 I1425 | F1376-D1380 WeakPolarHBondContact O-CB 3.47Å; F1376-D1380 VanDerWaalsContact O-CG 3.25Å; F1376-D1380 PolarHBondContact O-N 3.16Å; S1377-D1380 PolarHBondContact O-N 3.41Å; D1380-K1384 WeakPolarHBondContact O-CG 3.49Å; D1380-K1384 PolarHBondContact O-N 2.92Å; D1380-H1421 IonicContact OD1-CD2 2.75Å; D1380-H1421 IonicContact OD1-NE2 3.66Å; D1380-H1421 PolarHBondContact OD1-NE2 3.25Å; D1380-H1421 IonicContact OD2-NE2 3.69Å; D1380-I1425 WeakPolarHBondContact OD1-CD1 3.47Å |
| 1381 | L | 84.2 | Confident | 77.9 | Confident | 21 Ų | 21 | 50.4 Ų | 50.4 | 11% | 0.11 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.6 | -48.5 | 175.2 | -160.1 | 89.4 | 0 | 0 | 0 | 111.4 | E1296 F1299 L1354 S1377 M1378 I1379 M1383 K1384 | E1296-L1381 HydrophobicContact CB-CD1 3.83Å; E1296-L1381 HydrophobicContact CB-CD2 4.26Å; E1296-L1381 HydrophobicContact CG-CD1 4.01Å; E1296-L1381 HydrophobicContact CG-CD2 4.14Å; F1299-L1381 HydrophobicContact CB-CD2 4.41Å; F1299-L1381 HydrophobicContact CD1-CD2 3.38Å; F1299-L1381 HydrophobicContact CD1-CG 4.27Å; F1299-L1381 HydrophobicContact CE1-CD2 3.98Å; F1299-L1381 HydrophobicContact CG-CD2 4.21Å; L1354-L1381 HydrophobicContact CD2-CD2 3.87Å; S1377-L1381 WeakPolarHBondContact O-CB 3.31Å; S1377-L1381 PolarHBondContact O-N 3.01Å; M1378-L1381 PolarHBondContact O-N 3.42Å; I1379-L1381 VanDerWaalsContact C-N 3.29Å; I1379-L1381 PolarHBondContact O-N 3.11Å; L1381-M1383 VanDerWaalsContact C-N 3.35Å; L1381-M1383 PolarHBondContact O-N 2.98Å; L1381-K1384 PolarHBondContact O-N 3.31Å |
| 1382 | L | 78.8 | Confident | 77.1 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 177.2 | -76.2 | 170.7 | 0 | 0 | 0 | 110.7 | F1299 M1378 I1379 K1384 C1385 F1402 F1406 | F1299-L1382 HydrophobicContact CE1-CD2 4.24Å; F1299-L1382 HydrophobicContact CZ-CD2 3.9Å; M1378-L1382 HydrophobicContact CG-CD1 4.46Å; M1378-L1382 WeakPolarHBondContact O-CB 3.04Å; M1378-L1382 WeakPolarHBondContact O-CG 3.26Å; M1378-L1382 PolarHBondContact O-N 3.06Å; I1379-L1382 PolarHBondContact O-N 3.19Å; L1382-K1384 PolarHBondContact O-N 3.27Å; L1382-K1384 VanDerWaalsContact O-N 3.13Å; L1382-C1385 VanDerWaalsContact O-CB 3.28Å; L1382-C1385 WeakPolarHBondContact O-CB 3.25Å; L1382-C1385 PolarHBondContact O-N 3.46Å; L1382-F1402 HydrophobicContact CB-CD1 4.34Å; L1382-F1402 HydrophobicContact CB-CE1 3.7Å; L1382-F1402 HydrophobicContact CB-CZ 3.86Å; L1382-F1402 HydrophobicContact CD2-CD2 4.24Å; L1382-F1402 HydrophobicContact CD2-CE1 4.42Å; L1382-F1402 HydrophobicContact CD2-CE2 4.13Å; L1382-F1402 HydrophobicContact CD2-CG 4.48Å; L1382-F1402 HydrophobicContact CD2-CZ 4.27Å; L1382-F1402 WeakPolarHBondContact O-CZ 3.47Å; L1382-F1406 HydrophobicContact CD1-CD2 4.48Å |
| 1383 | M | 76.1 | Confident | 76.4 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 14% | 0.143 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63 | -20.7 | -179.5 | -72.3 | -65.6 | -68.8 | 0 | 0 | 114 | I1379 L1381 | I1379-M1383 HydrophobicContact CG2-CG 4.19Å; I1379-M1383 WeakPolarHBondContact O-CB 3.39Å; I1379-M1383 VanDerWaalsContact O-CG 3.27Å; I1379-M1383 WeakPolarHBondContact O-CG 3.43Å; I1379-M1383 PolarHBondContact O-N 3.31Å; L1381-M1383 VanDerWaalsContact C-N 3.35Å; L1381-M1383 PolarHBondContact O-N 2.98Å |
| 1384 | K | 78.9 | Confident | 75.9 | Confident | 169 Ų | 169 | 54.6 Ų | 54.6 | 74% | 0.735 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -10 | 174.2 | -72.6 | 170.7 | -177.2 | 170.5 | 0 | 113.9 | D1380 L1381 L1382 E1386 | D1380-K1384 WeakPolarHBondContact O-CG 3.49Å; D1380-K1384 PolarHBondContact O-N 2.92Å; L1381-K1384 PolarHBondContact O-N 3.31Å; L1382-K1384 PolarHBondContact O-N 3.27Å; L1382-K1384 VanDerWaalsContact O-N 3.13Å; K1384-E1386 PolarHBondContact O-N 2.9Å |
| 1385 | C | 74.3 | Confident | 75.3 | Confident | 18 Ų | 18 | 54.4 Ų | 54.4 | 12% | 0.122 | 28% | 0.281 | C | S | . | . | trans | -79.8 | 114.4 | -176.1 | -70.3 | 0 | 0 | 0 | 0 | 112.4 | W1303 L1382 F1402 | W1303-C1385 HydrophobicContact CD2-CB 3.98Å; W1303-C1385 HydrophobicContact CG-CB 4.35Å; W1303-C1385 HydrophobicContact CH2-CB 4.41Å; W1303-C1385 HydrophobicContact CZ2-CB 3.78Å; L1382-C1385 VanDerWaalsContact O-CB 3.28Å; L1382-C1385 WeakPolarHBondContact O-CB 3.25Å; L1382-C1385 PolarHBondContact O-N 3.46Å; C1385-F1402 HydrophobicContact CB-CE2 4.31Å; C1385-F1402 HydrophobicContact CB-CZ 4.49Å | ||
| 1386 | E | 68.6 | Low | 74.4 | Confident | 144 Ų | 144 | 56.1 Ų | 56.1 | 67% | 0.673 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 149.1 | 174.5 | -70.5 | -175.6 | 159.8 | 0 | 0 | 112.5 | W1303 I1307 K1384 | W1303-E1386 PolarHBondContact NE1-O 3.38Å; I1307-E1386 HydrophobicContact CD1-CB 4.28Å; I1307-E1386 WeakPolarHBondContact CD1-O 3.45Å; K1384-E1386 PolarHBondContact O-N 2.9Å |
| 1387 | F | 67.5 | Low | 73.9 | Confident | 38 Ų | 38 | 56.6 Ų | 56.6 | 17% | 0.167 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -99.2 | 153.8 | 175 | -77.3 | -94.8 | 0 | 0 | 0 | 111.3 | N1395 L1398 F1402 N1433 I1436 | F1387-N1395 HydrophobicContact CD1-CB 4.35Å; F1387-L1398 HydrophobicContact CD1-CB 4.32Å; F1387-L1398 HydrophobicContact CD1-CD1 4.42Å; F1387-L1398 HydrophobicContact CE1-CB 3.81Å; F1387-F1402 HydrophobicContact CE2-CE2 4.13Å; F1387-F1402 HydrophobicContact CE2-CZ 4.47Å; F1387-F1402 HydrophobicContact CZ-CD2 4.05Å; F1387-F1402 AromaticContact CZ-CE2 3.99Å; F1387-F1402 HydrophobicContact CZ-CE2 3.99Å; F1387-N1433 WeakPolarHBondContact CD1-ND2 3.37Å; F1387-N1433 HydrophobicContact CD2-CB 4.05Å; F1387-N1433 HydrophobicContact CE2-CB 4.28Å; F1387-N1433 HydrophobicContact CG-CB 4.23Å; F1387-I1436 HydrophobicContact CE2-CD1 3.5Å; F1387-I1436 VanDerWaalsContact CE2-CD1 3.5Å; F1387-I1436 HydrophobicContact CZ-CD1 3.68Å |
| 1388 | V | 65.6 | Low | 73.6 | Confident | 9 Ų | 9 | 54.5 Ų | 54.5 | 6% | 0.055 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 130 | -177.6 | -177.6 | 0 | 0 | 0 | 0 | 110.6 | I1307 E1310 N1390 H1391 L1394 N1395 | I1307-V1388 HydrophobicContact CG1-CG2 4.09Å; E1310-V1388 HydrophobicContact CB-CG1 4.34Å; E1310-V1388 VanDerWaalsContact CD-CG1 3.42Å; E1310-V1388 HydrophobicContact CG-CG1 4.04Å; E1310-V1388 WeakPolarHBondContact OE2-CG1 3.43Å; V1388-N1390 PolarHBondContact O-N 3.5Å; V1388-H1391 HydrophobicContact CG1-CB 4.31Å; V1388-L1394 HydrophobicContact CG2-CD2 4.09Å; V1388-N1395 PolarHBondContact N-OD1 3.49Å; V1388-N1395 PolarHBondContact O-ND2 3.3Å; V1388-N1395 PolarHBondContact O-OD1 3.25Å |
| 1389 | Q | 62.9 | Low | 73 | Confident | 160 Ų | 160 | 54.9 Ų | 54.9 | 75% | 0.748 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | 127.7 | 177.5 | -70.4 | -171.2 | -5.9 | 0 | 0 | 111.5 | R1314 | R1314-Q1389 PolarHBondContact NH1-O 3.02Å; R1314-Q1389 PolarHBondContact NH2-O 2.96Å |
| 1390 | N | 60.2 | Low | 72.9 | Confident | 136 Ų | 136 | 59.2 Ų | 59.2 | 73% | 0.727 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 29.4 | 176.1 | -49.5 | -30.4 | 0 | 0 | 0 | 117.3 | R1314 V1388 | R1314-N1390 PolarHBondContact NH2-O 2.88Å; V1388-N1390 PolarHBondContact O-N 3.5Å |
| 1391 | H | 67.1 | Low | 72.7 | Confident | 45 Ų | 45 | 56.6 Ų | 56.6 | 21% | 0.208 | 30% | 0.296 | C | S | . | . | trans | -126.7 | 86.1 | 170.6 | -153.9 | -68.4 | 0 | 0 | 0 | 112.5 | E1310 V1388 V1393 L1394 N1395 | E1310-H1391 IonicContact OE1-CD2 3.79Å; E1310-H1391 PolarHBondContact OE1-CD2 3.4Å; E1310-H1391 IonicContact OE1-CG 3.74Å; V1388-H1391 HydrophobicContact CG1-CB 4.31Å; H1391-V1393 PolarHBondContact O-N 2.81Å; H1391-L1394 HydrophobicContact CB-CB 4.4Å; H1391-L1394 WeakPolarHBondContact ND1-CB 3.43Å; H1391-L1394 PolarHBondContact ND1-N 3.37Å; H1391-N1395 WeakPolarHBondContact O-CB 3.46Å; H1391-N1395 PolarHBondContact O-N 3.19Å; H1391-N1395 PolarHBondContact O-ND2 3.18Å | ||
| 1392 | P | 67.5 | Low | 72.4 | Confident | 104 Ų | 104 | 56 Ų | 56 | 68% | 0.675 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.9 | -32.9 | -167 | 24.5 | -32.7 | 0 | 0 | 0 | 113.9 | A1396 | P1392-A1396 WeakPolarHBondContact O-CB 3.43Å; P1392-A1396 PolarHBondContact O-N 3.48Å |
| 1393 | V | 70.1 | Confident | 72.2 | Confident | 95 Ų | 95 | 61.5 Ų | 61.5 | 58% | 0.576 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -68.8 | -55.8 | -179.3 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | H1391 N1395 A1396 Q1397 | H1391-V1393 PolarHBondContact O-N 2.81Å; V1393-N1395 VanDerWaalsContact C-N 3.31Å; V1393-N1395 PolarHBondContact O-N 3.21Å; V1393-A1396 WeakPolarHBondContact O-CA 3.19Å; V1393-A1396 WeakPolarHBondContact O-CB 3.47Å; V1393-A1396 PolarHBondContact O-N 3.43Å; V1393-Q1397 PolarHBondContact O-N 2.89Å |
| 1394 | L | 73.9 | Confident | 72.3 | Confident | 5 Ų | 5 | 64.4 Ų | 64.4 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.2 | -43.2 | 176.1 | -155.8 | 93.4 | 0 | 0 | 0 | 111.5 | L1306 L1340 V1388 H1391 A1396 Q1397 L1398 | L1306-L1394 HydrophobicContact CD2-CD2 3.84Å; L1306-L1394 HydrophobicContact CG-CD2 4.32Å; L1340-L1394 HydrophobicContact CB-CD1 4.18Å; L1340-L1394 HydrophobicContact CD2-CD1 4.2Å; V1388-L1394 HydrophobicContact CG2-CD2 4.09Å; H1391-L1394 HydrophobicContact CB-CB 4.4Å; H1391-L1394 WeakPolarHBondContact ND1-CB 3.43Å; H1391-L1394 PolarHBondContact ND1-N 3.37Å; L1394-A1396 VanDerWaalsContact C-N 3.29Å; L1394-A1396 PolarHBondContact O-N 2.88Å; L1394-Q1397 PolarHBondContact O-N 3.42Å; L1394-Q1397 VanDerWaalsContact O-N 3.16Å; L1394-L1398 HydrophobicContact CD2-CD1 4.4Å; L1394-L1398 WeakPolarHBondContact O-CG 3.43Å; L1394-L1398 PolarHBondContact O-N 3.29Å |
| 1395 | N | 74 | Confident | 72.5 | Confident | 21 Ų | 21 | 56.5 Ų | 56.5 | 11% | 0.112 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.8 | -33.5 | 175.8 | -78.4 | -19.4 | 0 | 0 | 0 | 112.8 | F1387 V1388 H1391 V1393 S1399 | F1387-N1395 HydrophobicContact CD1-CB 4.35Å; V1388-N1395 PolarHBondContact N-OD1 3.49Å; V1388-N1395 PolarHBondContact O-ND2 3.3Å; V1388-N1395 PolarHBondContact O-OD1 3.25Å; H1391-N1395 WeakPolarHBondContact O-CB 3.46Å; H1391-N1395 PolarHBondContact O-N 3.19Å; H1391-N1395 PolarHBondContact O-ND2 3.18Å; V1393-N1395 VanDerWaalsContact C-N 3.31Å; V1393-N1395 PolarHBondContact O-N 3.21Å; N1395-S1399 VanDerWaalsContact O-CB 3.29Å; N1395-S1399 WeakPolarHBondContact O-CB 3.21Å; N1395-S1399 PolarHBondContact O-N 3.13Å; N1395-S1399 PolarHBondContact O-OG 3.46Å |
| 1396 | A | 69.6 | Low | 72.7 | Confident | 37 Ų | 37 | 56.2 Ų | 56.2 | 31% | 0.306 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | P1392 V1393 L1394 S1399 N1400 | P1392-A1396 WeakPolarHBondContact O-CB 3.43Å; P1392-A1396 PolarHBondContact O-N 3.48Å; V1393-A1396 WeakPolarHBondContact O-CA 3.19Å; V1393-A1396 WeakPolarHBondContact O-CB 3.47Å; V1393-A1396 PolarHBondContact O-N 3.43Å; L1394-A1396 VanDerWaalsContact C-N 3.29Å; L1394-A1396 PolarHBondContact O-N 2.88Å; A1396-S1399 WeakPolarHBondContact O-CB 3.45Å; A1396-S1399 PolarHBondContact O-N 3.24Å; A1396-N1400 PolarHBondContact O-N 2.89Å; A1396-N1400 VanDerWaalsContact O-N 3.17Å |
| 1397 | Q | 76.7 | Confident | 73 | Confident | 50 Ų | 50 | 52.5 Ų | 52.5 | 23% | 0.234 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 175.2 | -71 | 179.2 | -44 | 0 | 0 | 112.2 | Q1341 Y1344 V1393 L1394 S1399 N1400 I1401 | Q1341-Q1397 VanDerWaalsContact OE1-NE2 3.07Å; Y1344-Q1397 HydrophobicContact CD2-CB 4.01Å; Y1344-Q1397 HydrophobicContact CE1-CB 4.41Å; Y1344-Q1397 VanDerWaalsContact CE2-C 3.45Å; Y1344-Q1397 HydrophobicContact CE2-CB 3.48Å; Y1344-Q1397 VanDerWaalsContact CE2-CB 3.48Å; Y1344-Q1397 WeakPolarHBondContact CE2-O 3.41Å; Y1344-Q1397 PolarHBondContact OH-O 2.81Å; V1393-Q1397 PolarHBondContact O-N 2.89Å; L1394-Q1397 PolarHBondContact O-N 3.42Å; L1394-Q1397 VanDerWaalsContact O-N 3.16Å; Q1397-S1399 VanDerWaalsContact C-N 3.34Å; Q1397-N1400 WeakPolarHBondContact O-CB 3.28Å; Q1397-N1400 PolarHBondContact O-N 3.27Å; Q1397-N1400 VanDerWaalsContact O-N 3.12Å; Q1397-I1401 PolarHBondContact O-N 2.93Å |
| 1398 | L | 78.7 | Confident | 73.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.6 | -38.7 | 174.9 | -71.4 | 173.1 | 0 | 0 | 0 | 112 | W1303 L1306 Y1344 F1387 L1394 N1400 I1401 F1402 | W1303-L1398 HydrophobicContact CE3-CD2 4.44Å; W1303-L1398 HydrophobicContact CH2-CB 4.09Å; W1303-L1398 HydrophobicContact CH2-CD2 3.72Å; W1303-L1398 HydrophobicContact CH2-CG 4.35Å; W1303-L1398 HydrophobicContact CZ2-CB 4.33Å; W1303-L1398 HydrophobicContact CZ2-CD1 4.18Å; W1303-L1398 HydrophobicContact CZ2-CD2 3.98Å; W1303-L1398 HydrophobicContact CZ2-CG 4.4Å; W1303-L1398 HydrophobicContact CZ3-CD2 3.96Å; L1306-L1398 HydrophobicContact CD2-CD1 3.77Å; L1306-L1398 HydrophobicContact CD2-CD2 3.84Å; L1306-L1398 HydrophobicContact CD2-CG 4.23Å; Y1344-L1398 HydrophobicContact CD2-CD2 4.15Å; Y1344-L1398 HydrophobicContact CE2-CD2 4.23Å; F1387-L1398 HydrophobicContact CD1-CB 4.32Å; F1387-L1398 HydrophobicContact CD1-CD1 4.42Å; F1387-L1398 HydrophobicContact CE1-CB 3.81Å; L1394-L1398 HydrophobicContact CD2-CD1 4.4Å; L1394-L1398 WeakPolarHBondContact O-CG 3.43Å; L1394-L1398 PolarHBondContact O-N 3.29Å; L1398-N1400 PolarHBondContact O-N 3.08Å; L1398-I1401 HydrophobicContact CD2-CD1 4.49Å; L1398-I1401 WeakPolarHBondContact O-CB 3.21Å; L1398-I1401 PolarHBondContact O-N 3.36Å; L1398-I1401 VanDerWaalsContact O-N 3.14Å; L1398-F1402 PolarHBondContact O-N 3.2Å |
| 1399 | S | 73.8 | Confident | 74.6 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60 | -30.7 | 173.5 | -62.5 | 0 | 0 | 0 | 0 | 111.8 | N1395 A1396 Q1397 F1402 Y1403 | N1395-S1399 VanDerWaalsContact O-CB 3.29Å; N1395-S1399 WeakPolarHBondContact O-CB 3.21Å; N1395-S1399 PolarHBondContact O-N 3.13Å; N1395-S1399 PolarHBondContact O-OG 3.46Å; A1396-S1399 WeakPolarHBondContact O-CB 3.45Å; A1396-S1399 PolarHBondContact O-N 3.24Å; Q1397-S1399 VanDerWaalsContact C-N 3.34Å; S1399-F1402 WeakPolarHBondContact O-CB 3.42Å; S1399-F1402 PolarHBondContact O-N 2.9Å; S1399-Y1403 WeakPolarHBondContact O-CB 3.45Å; S1399-Y1403 PolarHBondContact O-N 3.39Å |
| 1400 | N | 78.3 | Confident | 75.2 | Confident | 92 Ų | 92 | 47.7 Ų | 47.7 | 49% | 0.492 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.7 | -36.9 | 177.3 | -123.7 | 19 | 0 | 0 | 0 | 112.3 | A1396 Q1397 L1398 Y1403 N1404 | A1396-N1400 PolarHBondContact O-N 2.89Å; A1396-N1400 VanDerWaalsContact O-N 3.17Å; Q1397-N1400 WeakPolarHBondContact O-CB 3.28Å; Q1397-N1400 PolarHBondContact O-N 3.27Å; Q1397-N1400 VanDerWaalsContact O-N 3.12Å; L1398-N1400 PolarHBondContact O-N 3.08Å; N1400-Y1403 PolarHBondContact O-N 2.65Å; N1400-N1404 WeakPolarHBondContact O-CB 3.33Å; N1400-N1404 PolarHBondContact O-N 3.02Å |
| 1401 | I | 79.7 | Confident | 76.3 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.4 | -48.5 | 173.5 | -61.8 | -177 | 0 | 0 | 0 | 109.6 | Y1344 V1347 H1348 N1351 Q1397 L1398 Y1403 N1404 S1405 | Y1344-I1401 HydrophobicContact CD2-CD1 4.32Å; Y1344-I1401 HydrophobicContact CE2-CD1 3.56Å; Y1344-I1401 HydrophobicContact CE2-CG1 4.03Å; V1347-I1401 HydrophobicContact CB-CD1 4.47Å; V1347-I1401 HydrophobicContact CG1-CD1 3.86Å; H1348-I1401 HydrophobicContact CB-CD1 4.2Å; N1351-I1401 HydrophobicContact CB-CG2 3.94Å; N1351-I1401 WeakPolarHBondContact ND2-CG2 3.38Å; Q1397-I1401 PolarHBondContact O-N 2.93Å; L1398-I1401 HydrophobicContact CD2-CD1 4.49Å; L1398-I1401 WeakPolarHBondContact O-CB 3.21Å; L1398-I1401 PolarHBondContact O-N 3.36Å; L1398-I1401 VanDerWaalsContact O-N 3.14Å; I1401-Y1403 VanDerWaalsContact C-N 3.33Å; I1401-Y1403 PolarHBondContact O-N 3.32Å; I1401-N1404 PolarHBondContact O-N 3.39Å; I1401-S1405 WeakPolarHBondContact O-CB 3.46Å; I1401-S1405 PolarHBondContact O-N 3.27Å; I1401-S1405 PolarHBondContact O-OG 2.93Å |
| 1402 | F | 78.2 | Confident | 77.1 | Confident | 9 Ų | 9 | 47.9 Ų | 47.9 | 4% | 0.039 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.4 | -47.9 | 173.7 | -103.1 | -96 | 0 | 0 | 0 | 112.2 | W1303 L1382 C1385 F1387 L1398 S1399 S1405 F1406 I1436 | W1303-F1402 AromaticContact CH2-CD2 3.96Å; W1303-F1402 HydrophobicContact CH2-CD2 3.96Å; W1303-F1402 AromaticContact CH2-CE2 3.81Å; W1303-F1402 HydrophobicContact CH2-CE2 3.81Å; W1303-F1402 HydrophobicContact CZ2-CE2 4.21Å; L1382-F1402 HydrophobicContact CB-CD1 4.34Å; L1382-F1402 HydrophobicContact CB-CE1 3.7Å; L1382-F1402 HydrophobicContact CB-CZ 3.86Å; L1382-F1402 HydrophobicContact CD2-CD2 4.24Å; L1382-F1402 HydrophobicContact CD2-CE1 4.42Å; L1382-F1402 HydrophobicContact CD2-CE2 4.13Å; L1382-F1402 HydrophobicContact CD2-CG 4.48Å; L1382-F1402 HydrophobicContact CD2-CZ 4.27Å; L1382-F1402 WeakPolarHBondContact O-CZ 3.47Å; C1385-F1402 HydrophobicContact CB-CE2 4.31Å; C1385-F1402 HydrophobicContact CB-CZ 4.49Å; F1387-F1402 HydrophobicContact CE2-CE2 4.13Å; F1387-F1402 HydrophobicContact CE2-CZ 4.47Å; F1387-F1402 HydrophobicContact CZ-CD2 4.05Å; F1387-F1402 AromaticContact CZ-CE2 3.99Å; F1387-F1402 HydrophobicContact CZ-CE2 3.99Å; L1398-F1402 PolarHBondContact O-N 3.2Å; S1399-F1402 WeakPolarHBondContact O-CB 3.42Å; S1399-F1402 PolarHBondContact O-N 2.9Å; F1402-S1405 PolarHBondContact O-N 3.1Å; F1402-F1406 HydrophobicContact CD1-CD2 4.37Å; F1402-F1406 HydrophobicContact CD1-CE2 4.44Å; F1402-F1406 WeakPolarHBondContact O-CB 3.35Å; F1402-F1406 PolarHBondContact O-N 2.92Å; F1402-I1436 HydrophobicContact CD1-CD1 3.83Å; F1402-I1436 HydrophobicContact CD1-CG1 4.39Å; F1402-I1436 HydrophobicContact CD2-CD1 4.4Å; F1402-I1436 HydrophobicContact CE1-CD1 3.75Å; F1402-I1436 HydrophobicContact CE2-CD1 4.35Å; F1402-I1436 HydrophobicContact CG-CD1 4.1Å; F1402-I1436 HydrophobicContact CZ-CD1 3.97Å |
| 1403 | Y | 74.2 | Confident | 77.9 | Confident | 117 Ų | 117 | 43 Ų | 43 | 46% | 0.459 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62 | -45.7 | -177.4 | -150.2 | -79.5 | 0 | 0 | 0 | 111.8 | S1399 N1400 I1401 F1406 S1407 L1439 | S1399-Y1403 WeakPolarHBondContact O-CB 3.45Å; S1399-Y1403 PolarHBondContact O-N 3.39Å; N1400-Y1403 PolarHBondContact O-N 2.65Å; I1401-Y1403 VanDerWaalsContact C-N 3.33Å; I1401-Y1403 PolarHBondContact O-N 3.32Å; Y1403-F1406 PolarHBondContact O-N 3.22Å; Y1403-S1407 VanDerWaalsContact O-CB 3.28Å; Y1403-S1407 WeakPolarHBondContact O-CB 3.35Å; Y1403-S1407 PolarHBondContact O-N 3.04Å; Y1403-L1439 HydrophobicContact CD2-CD1 3.67Å; Y1403-L1439 HydrophobicContact CE1-CD1 4.26Å; Y1403-L1439 HydrophobicContact CE2-CD1 3.11Å; Y1403-L1439 HydrophobicContact CE2-CG 4.46Å; Y1403-L1439 HydrophobicContact CG-CD1 4.44Å; Y1403-L1439 VanDerWaalsContact CZ-CD1 3.43Å |
| 1404 | N | 79.1 | Confident | 78.3 | Confident | 90 Ų | 90 | 41.4 Ų | 41.4 | 48% | 0.481 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.5 | -44.1 | 178.9 | -72.9 | -16.1 | 0 | 0 | 0 | 111.6 | N1400 I1401 S1407 L1408 | N1400-N1404 WeakPolarHBondContact O-CB 3.33Å; N1400-N1404 PolarHBondContact O-N 3.02Å; I1401-N1404 PolarHBondContact O-N 3.39Å; N1404-S1407 PolarHBondContact O-N 3.12Å; N1404-L1408 PolarHBondContact O-N 3.36Å; N1404-L1408 VanDerWaalsContact O-N 3.13Å |
| 1405 | S | 81.6 | Confident | 78.3 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63 | -46.9 | 176.5 | -62.4 | 0 | 0 | 0 | 0 | 111.4 | N1351 I1401 F1402 L1408 V1409 | N1351-S1405 PolarHBondContact ND2-OG 2.71Å; N1351-S1405 PolarHBondContact OD1-OG 2.91Å; I1401-S1405 WeakPolarHBondContact O-CB 3.46Å; I1401-S1405 PolarHBondContact O-N 3.27Å; I1401-S1405 PolarHBondContact O-OG 2.93Å; F1402-S1405 PolarHBondContact O-N 3.1Å; S1405-L1408 WeakPolarHBondContact O-CB 3.42Å; S1405-L1408 PolarHBondContact O-N 2.82Å; S1405-V1409 WeakPolarHBondContact O-CG2 3.05Å; S1405-V1409 PolarHBondContact O-N 3.49Å |
| 1406 | F | 78.4 | Confident | 78.3 | Confident | 11 Ų | 11 | 46.9 Ų | 46.9 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 178.2 | -106.2 | -92 | 0 | 0 | 0 | 113.2 | I1379 L1382 F1402 Y1403 L1408 V1409 T1410 I1418 I1422 L1439 | I1379-F1406 HydrophobicContact CG1-CZ 4.18Å; I1379-F1406 HydrophobicContact CG2-CZ 4.28Å; L1382-F1406 HydrophobicContact CD1-CD2 4.48Å; F1402-F1406 HydrophobicContact CD1-CD2 4.37Å; F1402-F1406 HydrophobicContact CD1-CE2 4.44Å; F1402-F1406 WeakPolarHBondContact O-CB 3.35Å; F1402-F1406 PolarHBondContact O-N 2.92Å; Y1403-F1406 PolarHBondContact O-N 3.22Å; F1406-L1408 PolarHBondContact O-N 3.01Å; F1406-V1409 PolarHBondContact O-N 3.42Å; F1406-V1409 VanDerWaalsContact O-N 3.16Å; F1406-T1410 PolarHBondContact O-N 2.94Å; F1406-I1418 HydrophobicContact CD1-CG2 4.44Å; F1406-I1418 HydrophobicContact CE1-CG2 3.72Å; F1406-I1422 HydrophobicContact CE1-CD1 3.77Å; F1406-I1422 HydrophobicContact CZ-CD1 3.79Å; F1406-L1439 HydrophobicContact CB-CD2 4.07Å; F1406-L1439 HydrophobicContact CD1-CD2 4.19Å; F1406-L1439 HydrophobicContact CG-CD2 4.14Å |
| 1407 | S | 76.6 | Confident | 79 | Confident | 67 Ų | 67 | 47 Ų | 47 | 47% | 0.469 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.2 | -36.7 | 174.7 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | Y1403 N1404 T1410 | Y1403-S1407 VanDerWaalsContact O-CB 3.28Å; Y1403-S1407 WeakPolarHBondContact O-CB 3.35Å; Y1403-S1407 PolarHBondContact O-N 3.04Å; N1404-S1407 PolarHBondContact O-N 3.12Å; S1407-T1410 PolarHBondContact O-OG1 2.87Å |
| 1408 | L | 82.3 | Confident | 79.1 | Confident | 49 Ų | 49 | 44.6 Ų | 44.6 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -69.6 | -43.4 | 175.3 | -146.1 | 93.1 | 0 | 0 | 0 | 111.3 | V1355 Q1359 W1375 N1404 S1405 F1406 T1410 T1411 Y1412 | V1355-L1408 HydrophobicContact CG1-CD2 3.35Å; Q1359-L1408 HydrophobicContact CG-CD2 4.25Å; W1375-L1408 HydrophobicContact CH2-CD2 3.87Å; N1404-L1408 PolarHBondContact O-N 3.36Å; N1404-L1408 VanDerWaalsContact O-N 3.13Å; S1405-L1408 WeakPolarHBondContact O-CB 3.42Å; S1405-L1408 PolarHBondContact O-N 2.82Å; F1406-L1408 PolarHBondContact O-N 3.01Å; L1408-T1410 PolarHBondContact O-N 3.32Å; L1408-T1411 PolarHBondContact O-N 3.29Å; L1408-T1411 PolarHBondContact O-OG1 3.1Å; L1408-Y1412 WeakPolarHBondContact O-CD2 3.06Å |
| 1409 | V | 83.5 | Confident | 78.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.4 | -38.9 | 177.2 | 177.3 | 0 | 0 | 0 | 0 | 111.3 | W1375 I1379 S1405 F1406 T1411 Y1412 L1413 I1418 | W1375-V1409 HydrophobicContact CB-CG1 4.33Å; W1375-V1409 HydrophobicContact CD2-CG2 4.18Å; W1375-V1409 HydrophobicContact CE3-CG2 3.55Å; W1375-V1409 HydrophobicContact CZ3-CG2 4.01Å; I1379-V1409 HydrophobicContact CD1-CG1 4.18Å; S1405-V1409 WeakPolarHBondContact O-CG2 3.05Å; S1405-V1409 PolarHBondContact O-N 3.49Å; F1406-V1409 PolarHBondContact O-N 3.42Å; F1406-V1409 VanDerWaalsContact O-N 3.16Å; V1409-T1411 PolarHBondContact O-N 3.28Å; V1409-T1411 VanDerWaalsContact O-N 3.1Å; V1409-Y1412 PolarHBondContact O-N 3.43Å; V1409-L1413 HydrophobicContact CG1-CB 4.4Å; V1409-L1413 HydrophobicContact CG1-CD1 3.93Å; V1409-L1413 PolarHBondContact O-N 3.21Å; V1409-I1418 HydrophobicContact CG1-CD1 3.93Å; V1409-I1418 HydrophobicContact CG1-CG1 4.3Å |
| 1410 | T | 76 | Confident | 78.9 | Confident | 56 Ų | 56 | 48.1 Ų | 48.1 | 34% | 0.344 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65 | -12.1 | 177.2 | 56 | 0 | 0 | 0 | 0 | 114.7 | F1406 S1407 L1408 I1418 | F1406-T1410 PolarHBondContact O-N 2.94Å; S1407-T1410 PolarHBondContact O-OG1 2.87Å; L1408-T1410 PolarHBondContact O-N 3.32Å; T1410-I1418 HydrophobicContact CG2-CD1 3.72Å |
| 1411 | T | 82 | Confident | 79 | Confident | 106 Ų | 106 | 45.5 Ų | 45.5 | 65% | 0.65 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -83.5 | -19.1 | 170.8 | 56.3 | 0 | 0 | 0 | 0 | 113.7 | L1408 V1409 | L1408-T1411 PolarHBondContact O-N 3.29Å; L1408-T1411 PolarHBondContact O-OG1 3.1Å; V1409-T1411 PolarHBondContact O-N 3.28Å; V1409-T1411 VanDerWaalsContact O-N 3.1Å |
| 1412 | Y | 84.8 | Confident | 78.8 | Confident | 79 Ų | 79 | 45.5 Ų | 45.5 | 31% | 0.31 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -105.6 | -27.5 | 178.2 | -63.3 | -86.8 | 0 | 0 | 0 | 113 | Q1359 C1362 W1375 L1408 V1409 | Q1359-Y1412 PolarHBondContact NE2-OH 3.45Å; C1362-Y1412 HydrophobicContact CB-CE1 4.47Å; W1375-Y1412 AromaticContact CE2-CD2 3.74Å; W1375-Y1412 AromaticContact CE2-CG 3.98Å; W1375-Y1412 HydrophobicContact CH2-CE2 4.48Å; W1375-Y1412 AromaticContact CZ2-CD2 3.58Å; W1375-Y1412 HydrophobicContact CZ2-CD2 3.58Å; W1375-Y1412 AromaticContact CZ2-CE2 3.67Å; W1375-Y1412 HydrophobicContact CZ2-CE2 3.67Å; W1375-Y1412 HydrophobicContact CZ2-CG 4.2Å; W1375-Y1412 AromaticContact NE1-CD1 3.99Å; W1375-Y1412 AromaticContact NE1-CD2 3.72Å; W1375-Y1412 AromaticContact NE1-CG 3.45Å; L1408-Y1412 WeakPolarHBondContact O-CD2 3.06Å; V1409-Y1412 PolarHBondContact O-N 3.43Å |
| 1413 | L | 84.7 | Confident | 78.2 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -124.4 | 137.5 | -176 | -69.6 | 173.3 | 0 | 0 | 0 | 112.6 | E1372 W1375 F1376 V1409 I1418 | E1372-L1413 HydrophobicContact CB-CD2 4.4Å; E1372-L1413 HydrophobicContact CG-CD2 3.44Å; E1372-L1413 VanDerWaalsContact CG-CD2 3.44Å; W1375-L1413 HydrophobicContact CB-CD1 3.65Å; W1375-L1413 HydrophobicContact CG-CD1 4.38Å; F1376-L1413 HydrophobicContact CD1-CD1 4.38Å; F1376-L1413 HydrophobicContact CE1-CD1 4.08Å; V1409-L1413 HydrophobicContact CG1-CB 4.4Å; V1409-L1413 HydrophobicContact CG1-CD1 3.93Å; V1409-L1413 PolarHBondContact O-N 3.21Å; L1413-I1418 HydrophobicContact CB-CD1 4.01Å; L1413-I1418 HydrophobicContact CB-CG1 3.85Å; L1413-I1418 HydrophobicContact CD1-CG1 4.46Å |
| 1414 | P | 78.1 | Confident | 78.2 | Confident | 61 Ų | 61 | 51 Ų | 51 | 40% | 0.396 | 29% | 0.293 | S | S | . | . | trans | -61.5 | 144.5 | 174.1 | -19.2 | 29.9 | 0 | 0 | 0 | 112.4 | T1416 V1417 I1418 | P1414-T1416 PolarHBondContact O-N 3.08Å; P1414-T1416 VanDerWaalsContact O-N 3.1Å; P1414-V1417 HydrophobicContact CB-CG2 4.17Å; P1414-V1417 HydrophobicContact CG-CG2 4.05Å; P1414-V1417 PolarHBondContact O-N 3.43Å; P1414-I1418 PolarHBondContact O-N 2.88Å | ||
| 1415 | P | 74 | Confident | 77.7 | Confident | 57 Ų | 57 | 49.3 Ų | 49.3 | 37% | 0.37 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -54.2 | -34.4 | 179.4 | -26 | 33.4 | 0 | 0 | 0 | 113.8 | V1419 L1443 | P1415-V1419 WeakPolarHBondContact O-CB 3.5Å; P1415-V1419 VanDerWaalsContact O-CG2 3.26Å; P1415-V1419 WeakPolarHBondContact O-CG2 3.09Å; P1415-V1419 PolarHBondContact O-N 3.25Å; P1415-L1443 HydrophobicContact CB-CD2 3.93Å |
| 1416 | T | 74.9 | Confident | 76.3 | Confident | 84 Ų | 84 | 53.5 Ų | 53.5 | 52% | 0.515 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66 | -38.9 | 179 | 47.5 | 0 | 0 | 0 | 0 | 112.9 | P1414 S1420 | P1414-T1416 PolarHBondContact O-N 3.08Å; P1414-T1416 VanDerWaalsContact O-N 3.1Å; T1416-S1420 WeakPolarHBondContact O-CB 3.38Å; T1416-S1420 PolarHBondContact O-N 2.88Å |
| 1417 | V | 82.6 | Confident | 74.8 | Confident | 39 Ų | 39 | 56.6 Ų | 56.6 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.7 | -43.3 | 178.6 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | F1376 P1414 V1419 S1420 H1421 | F1376-V1417 HydrophobicContact CE1-CG1 4.15Å; F1376-V1417 HydrophobicContact CZ-CG1 3.79Å; P1414-V1417 HydrophobicContact CB-CG2 4.17Å; P1414-V1417 HydrophobicContact CG-CG2 4.05Å; P1414-V1417 PolarHBondContact O-N 3.43Å; V1417-V1419 PolarHBondContact O-N 3.41Å; V1417-S1420 PolarHBondContact O-N 2.86Å; V1417-H1421 PolarHBondContact O-N 3.24Å |
| 1418 | I | 79.9 | Confident | 73.1 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.1 | -47.3 | 176.8 | -61.5 | 168.9 | 0 | 0 | 0 | 110.6 | I1379 F1406 V1409 T1410 L1413 P1414 S1420 H1421 I1422 | I1379-I1418 HydrophobicContact CD1-CG2 4.38Å; F1406-I1418 HydrophobicContact CD1-CG2 4.44Å; F1406-I1418 HydrophobicContact CE1-CG2 3.72Å; V1409-I1418 HydrophobicContact CG1-CD1 3.93Å; V1409-I1418 HydrophobicContact CG1-CG1 4.3Å; T1410-I1418 HydrophobicContact CG2-CD1 3.72Å; L1413-I1418 HydrophobicContact CB-CD1 4.01Å; L1413-I1418 HydrophobicContact CB-CG1 3.85Å; L1413-I1418 HydrophobicContact CD1-CG1 4.46Å; P1414-I1418 PolarHBondContact O-N 2.88Å; I1418-S1420 VanDerWaalsContact C-N 3.35Å; I1418-S1420 PolarHBondContact O-N 3.33Å; I1418-H1421 PolarHBondContact O-N 2.96Å; I1418-I1422 HydrophobicContact CG2-CD1 3.74Å; I1418-I1422 HydrophobicContact CG2-CG1 4.48Å; I1418-I1422 VanDerWaalsContact O-CG1 3.29Å; I1418-I1422 WeakPolarHBondContact O-CG1 3.13Å; I1418-I1422 PolarHBondContact O-N 3.45Å |
| 1419 | V | 72 | Confident | 71.1 | Confident | 18 Ų | 18 | 65.9 Ų | 65.9 | 11% | 0.109 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 178.5 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | P1415 V1417 H1421 I1422 L1423 L1443 I1444 | P1415-V1419 WeakPolarHBondContact O-CB 3.5Å; P1415-V1419 VanDerWaalsContact O-CG2 3.26Å; P1415-V1419 WeakPolarHBondContact O-CG2 3.09Å; P1415-V1419 PolarHBondContact O-N 3.25Å; V1417-V1419 PolarHBondContact O-N 3.41Å; V1419-H1421 PolarHBondContact O-N 2.91Å; V1419-I1422 PolarHBondContact O-N 3.48Å; V1419-L1423 HydrophobicContact CG1-CD1 3.71Å; V1419-L1423 HydrophobicContact CG1-CG 4.27Å; V1419-L1423 WeakPolarHBondContact O-CB 3.38Å; V1419-L1423 VanDerWaalsContact O-CG 3.24Å; V1419-L1423 WeakPolarHBondContact O-CG 3.44Å; V1419-L1423 PolarHBondContact O-N 2.89Å; V1419-L1443 HydrophobicContact CG2-CB 3.94Å; V1419-I1444 HydrophobicContact CG1-CG1 4.15Å |
| 1420 | S | 75.9 | Confident | 69 | Low | 67 Ų | 67 | 69.9 Ų | 69.9 | 47% | 0.469 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 175.4 | -173.7 | 0 | 0 | 0 | 0 | 112.2 | T1416 V1417 I1418 N1424 | T1416-S1420 WeakPolarHBondContact O-CB 3.38Å; T1416-S1420 PolarHBondContact O-N 2.88Å; V1417-S1420 PolarHBondContact O-N 2.86Å; I1418-S1420 VanDerWaalsContact C-N 3.35Å; I1418-S1420 PolarHBondContact O-N 3.33Å; S1420-N1424 PolarHBondContact O-N 2.86Å |
| 1421 | H | 81.5 | Confident | 67.4 | Low | 37 Ų | 37 | 74 Ų | 74 | 17% | 0.171 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -66.6 | -47.4 | 178.7 | -167 | 62.8 | 0 | 0 | 0 | 111.3 | F1376 D1380 V1417 I1418 V1419 L1423 N1424 I1425 | F1376-H1421 HydrophobicContact CD1-CB 4.21Å; F1376-H1421 AromaticContact CD1-CD2 3.62Å; F1376-H1421 AromaticContact CD1-CG 3.7Å; F1376-H1421 AromaticContact CD1-NE2 3.99Å; F1376-H1421 HydrophobicContact CE1-CB 3.85Å; F1376-H1421 AromaticContact CE1-CG 3.8Å; F1376-H1421 AromaticContact CG-CD2 3.92Å; F1376-H1421 AromaticContact CG-CE1 3.84Å; F1376-H1421 AromaticContact CG-NE2 3.79Å; F1376-H1421 HydrophobicContact CZ-CB 4.28Å; D1380-H1421 IonicContact OD1-CD2 2.75Å; D1380-H1421 IonicContact OD1-NE2 3.66Å; D1380-H1421 PolarHBondContact OD1-NE2 3.25Å; D1380-H1421 IonicContact OD2-NE2 3.69Å; V1417-H1421 PolarHBondContact O-N 3.24Å; I1418-H1421 PolarHBondContact O-N 2.96Å; V1419-H1421 PolarHBondContact O-N 2.91Å; H1421-L1423 VanDerWaalsContact C-N 3.32Å; H1421-L1423 PolarHBondContact O-N 2.92Å; H1421-N1424 WeakPolarHBondContact O-CB 3.26Å; H1421-N1424 PolarHBondContact O-N 3.46Å; H1421-N1424 VanDerWaalsContact O-N 3.1Å; H1421-I1425 WeakPolarHBondContact O-CG1 3.24Å; H1421-I1425 PolarHBondContact O-N 2.98Å |
| 1422 | I | 73.7 | Confident | 65.3 | Low | 3 Ų | 3 | 70.7 Ų | 70.7 | 2% | 0.015 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 178.1 | -66.3 | 169.2 | 0 | 0 | 0 | 111.8 | I1379 F1406 I1418 V1419 N1424 I1425 N1426 | I1379-I1422 HydrophobicContact CG2-CG1 4.28Å; F1406-I1422 HydrophobicContact CE1-CD1 3.77Å; F1406-I1422 HydrophobicContact CZ-CD1 3.79Å; I1418-I1422 HydrophobicContact CG2-CD1 3.74Å; I1418-I1422 HydrophobicContact CG2-CG1 4.48Å; I1418-I1422 VanDerWaalsContact O-CG1 3.29Å; I1418-I1422 WeakPolarHBondContact O-CG1 3.13Å; I1418-I1422 PolarHBondContact O-N 3.45Å; V1419-I1422 PolarHBondContact O-N 3.48Å; I1422-N1424 VanDerWaalsContact C-N 3.3Å; I1422-N1424 PolarHBondContact O-N 3.26Å; I1422-I1425 PolarHBondContact O-N 3.36Å; I1422-N1426 PolarHBondContact O-N 3.07Å |
| 1423 | L | 67 | Low | 63.6 | Low | 105 Ų | 105 | 68.8 Ų | 68.8 | 55% | 0.55 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.2 | -32.3 | 177.3 | -75.4 | 170.4 | 0 | 0 | 0 | 112.5 | V1419 H1421 I1425 | V1419-L1423 HydrophobicContact CG1-CD1 3.71Å; V1419-L1423 HydrophobicContact CG1-CG 4.27Å; V1419-L1423 WeakPolarHBondContact O-CB 3.38Å; V1419-L1423 VanDerWaalsContact O-CG 3.24Å; V1419-L1423 WeakPolarHBondContact O-CG 3.44Å; V1419-L1423 PolarHBondContact O-N 2.89Å; H1421-L1423 VanDerWaalsContact C-N 3.32Å; H1421-L1423 PolarHBondContact O-N 2.92Å; L1423-I1425 VanDerWaalsContact C-N 3.33Å |
| 1424 | N | 74.1 | Confident | 62 | Low | 135 Ų | 135 | 72.9 Ų | 72.9 | 72% | 0.722 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -72.1 | -24.7 | 174.9 | -84.9 | -14.1 | 0 | 0 | 0 | 113.4 | S1420 H1421 I1422 | S1420-N1424 PolarHBondContact O-N 2.86Å; H1421-N1424 WeakPolarHBondContact O-CB 3.26Å; H1421-N1424 PolarHBondContact O-N 3.46Å; H1421-N1424 VanDerWaalsContact O-N 3.1Å; I1422-N1424 VanDerWaalsContact C-N 3.3Å; I1422-N1424 PolarHBondContact O-N 3.26Å |
| 1425 | I | 67.6 | Low | 60.4 | Low | 55 Ų | 55 | 75.6 Ų | 75.6 | 28% | 0.282 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -76.8 | -28.1 | 178.7 | -63.4 | 164.7 | 0 | 0 | 0 | 111.8 | I1379 D1380 H1421 I1422 L1423 G1427 | I1379-I1425 HydrophobicContact CG2-CD1 4.41Å; D1380-I1425 WeakPolarHBondContact OD1-CD1 3.47Å; H1421-I1425 WeakPolarHBondContact O-CG1 3.24Å; H1421-I1425 PolarHBondContact O-N 2.98Å; I1422-I1425 PolarHBondContact O-N 3.36Å; L1423-I1425 VanDerWaalsContact C-N 3.33Å; I1425-G1427 PolarHBondContact O-N 3.42Å |
| 1426 | N | 52.7 | Low | 59.4 | Low | 91 Ų | 91 | 73.8 Ų | 73.8 | 49% | 0.487 | 43% | 0.429 | S | S | . | . | trans | -77.6 | 35.2 | -168.1 | -77.5 | -14 | 0 | 0 | 0 | 116.4 | I1422 T1428 | I1422-N1426 PolarHBondContact O-N 3.07Å; N1426-T1428 VanDerWaalsContact C-N 3.31Å; N1426-T1428 PolarHBondContact O-N 3.03Å | ||
| 1427 | G | 47.4 | Very low | 58.6 | Low | 76 Ų | 76 | 73.4 Ų | 73.4 | 78% | 0.784 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -77.2 | -6.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | I1425 | I1425-G1427 PolarHBondContact O-N 3.42Š|
| 1428 | T | 39.6 | Very low | 57.2 | Low | 105 Ų | 105 | 76.1 Ų | 76.1 | 64% | 0.644 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -138.2 | 134.7 | -173.6 | 51.2 | 0 | 0 | 0 | 0 | 111.5 | N1426 V1430 | N1426-T1428 VanDerWaalsContact C-N 3.31Å; N1426-T1428 PolarHBondContact O-N 3.03Å; T1428-V1430 PolarHBondContact O-N 3.04Å |
| 1429 | E | 40.6 | Very low | 56.2 | Low | 207 Ų | 207 | 77.5 Ų | 77.5 | 97% | 0.967 | 44% | 0.443 | S | S | * | . | trans | -52.8 | 102.4 | -178.5 | -68.1 | 178 | 152.2 | 0 | 0 | 112.4 | ||||
| 1430 | V | 39.4 | Very low | 55.7 | Low | 84 Ų | 84 | 77.8 Ų | 77.8 | 51% | 0.509 | 45% | 0.445 | S | S | . | . | trans | -117.6 | 123.3 | 168.3 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | T1428 V1432 | T1428-V1430 PolarHBondContact O-N 3.04Å; V1430-V1432 VanDerWaalsContact C-N 3.27Å; V1430-V1432 HydrophobicContact CB-CG2 4.1Å; V1430-V1432 HydrophobicContact CG1-CG2 3.63Å; V1430-V1432 PolarHBondContact O-N 2.94Å | ||
| 1431 | T | 42.5 | Very low | 55.1 | Low | 141 Ų | 141 | 81.2 Ų | 81.2 | 87% | 0.865 | 45% | 0.451 | S | S | * | . | trans | -73.7 | 73.4 | 179.7 | 41.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1432 | V | 38.7 | Very low | 54.1 | Low | 37 Ų | 37 | 84.8 Ų | 84.8 | 22% | 0.224 | 47% | 0.467 | C | S | . | . | trans | -85.6 | 128.1 | -176.3 | -174 | 0 | 0 | 0 | 0 | 112.2 | V1430 I1436 N1437 | V1430-V1432 VanDerWaalsContact C-N 3.27Å; V1430-V1432 HydrophobicContact CB-CG2 4.1Å; V1430-V1432 HydrophobicContact CG1-CG2 3.63Å; V1430-V1432 PolarHBondContact O-N 2.94Å; V1432-I1436 HydrophobicContact CG1-CB 3.65Å; V1432-I1436 HydrophobicContact CG1-CD1 3.91Å; V1432-I1436 HydrophobicContact CG1-CG1 4.37Å; V1432-I1436 HydrophobicContact CG1-CG2 3.61Å; V1432-N1437 PolarHBondContact O-ND2 3Å | ||
| 1433 | N | 49.8 | Very low | 53.7 | Low | 39 Ų | 39 | 85.8 Ų | 85.8 | 21% | 0.209 | 47% | 0.472 | C | S | . | . | trans | -44.1 | 144.5 | 179.8 | -164.1 | -12.2 | 0 | 0 | 0 | 114.3 | F1387 K1435 I1436 N1437 | F1387-N1433 WeakPolarHBondContact CD1-ND2 3.37Å; F1387-N1433 HydrophobicContact CD2-CB 4.05Å; F1387-N1433 HydrophobicContact CE2-CB 4.28Å; F1387-N1433 HydrophobicContact CG-CB 4.23Å; N1433-K1435 PolarHBondContact O-N 3.06Å; N1433-K1435 VanDerWaalsContact O-N 3.07Å; N1433-I1436 PolarHBondContact O-N 2.81Å; N1433-I1436 VanDerWaalsContact O-N 3.14Å; N1433-N1437 PolarHBondContact O-N 3.16Å | ||
| 1434 | S | 50.1 | Low | 53.6 | Low | 90 Ų | 90 | 83.4 Ų | 83.4 | 63% | 0.629 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -57.3 | -28 | -171.3 | 62.7 | 0 | 0 | 0 | 0 | 114.6 | N1437 L1438 | S1434-N1437 WeakPolarHBondContact O-CB 3.24Å; S1434-L1438 PolarHBondContact O-N 3.4Å |
| 1435 | K | 44.7 | Very low | 53 | Low | 117 Ų | 117 | 79.9 Ų | 79.9 | 51% | 0.509 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -78.4 | -35.5 | 178.4 | -81.1 | -177.8 | 176.9 | 177.5 | 0 | 114.5 | N1433 N1437 L1438 L1439 | N1433-K1435 PolarHBondContact O-N 3.06Å; N1433-K1435 VanDerWaalsContact O-N 3.07Å; K1435-N1437 VanDerWaalsContact C-N 3.33Å; K1435-L1438 CarbonylContact O-C 3.6Å; K1435-L1438 WeakPolarHBondContact O-CA 3.45Å; K1435-L1438 WeakPolarHBondContact O-CB 3.41Å; K1435-L1438 PolarHBondContact O-N 2.75Å; K1435-L1438 VanDerWaalsContact O-N 3.07Å; K1435-L1439 PolarHBondContact O-N 3.11Å |
| 1436 | I | 52.6 | Low | 52.8 | Low | 20 Ų | 20 | 79.5 Ų | 79.5 | 10% | 0.103 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -69.9 | -40.2 | 173.6 | -67.8 | 170.6 | 0 | 0 | 0 | 108.9 | F1387 F1402 V1432 N1433 L1438 L1439 V1440 | F1387-I1436 HydrophobicContact CE2-CD1 3.5Å; F1387-I1436 VanDerWaalsContact CE2-CD1 3.5Å; F1387-I1436 HydrophobicContact CZ-CD1 3.68Å; F1402-I1436 HydrophobicContact CD1-CD1 3.83Å; F1402-I1436 HydrophobicContact CD1-CG1 4.39Å; F1402-I1436 HydrophobicContact CD2-CD1 4.4Å; F1402-I1436 HydrophobicContact CE1-CD1 3.75Å; F1402-I1436 HydrophobicContact CE2-CD1 4.35Å; F1402-I1436 HydrophobicContact CG-CD1 4.1Å; F1402-I1436 HydrophobicContact CZ-CD1 3.97Å; V1432-I1436 HydrophobicContact CG1-CB 3.65Å; V1432-I1436 HydrophobicContact CG1-CD1 3.91Å; V1432-I1436 HydrophobicContact CG1-CG1 4.37Å; V1432-I1436 HydrophobicContact CG1-CG2 3.61Å; N1433-I1436 PolarHBondContact O-N 2.81Å; N1433-I1436 VanDerWaalsContact O-N 3.14Å; I1436-L1438 PolarHBondContact O-N 2.96Å; I1436-L1439 PolarHBondContact O-N 3.29Å; I1436-V1440 HydrophobicContact CG2-CG2 4.19Å; I1436-V1440 WeakPolarHBondContact O-CB 3.43Å; I1436-V1440 WeakPolarHBondContact O-CG2 3.37Å; I1436-V1440 PolarHBondContact O-N 3.34Å |
| 1437 | N | 57.5 | Low | 53.2 | Low | 75 Ų | 75 | 76.5 Ų | 76.5 | 40% | 0.401 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -55.1 | -36.1 | 166.8 | -96.1 | -46.9 | 0 | 0 | 0 | 111.9 | V1432 N1433 S1434 K1435 K1441 | V1432-N1437 PolarHBondContact O-ND2 3Å; N1433-N1437 PolarHBondContact O-N 3.16Å; S1434-N1437 WeakPolarHBondContact O-CB 3.24Å; K1435-N1437 VanDerWaalsContact C-N 3.33Å; N1437-K1441 WeakPolarHBondContact O-CA 3.46Å; N1437-K1441 WeakPolarHBondContact O-CB 3.4Å; N1437-K1441 WeakPolarHBondContact O-CD 3.5Å; N1437-K1441 WeakPolarHBondContact O-CG 3.47Å; N1437-K1441 PolarHBondContact O-N 3.33Å |
| 1438 | L | 54.3 | Low | 54 | Low | 96 Ų | 96 | 78.4 Ų | 78.4 | 50% | 0.503 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.4 | -39.3 | 174.4 | -154.5 | 83.2 | 0 | 0 | 0 | 112.8 | S1434 K1435 I1436 K1442 | S1434-L1438 PolarHBondContact O-N 3.4Å; K1435-L1438 CarbonylContact O-C 3.6Å; K1435-L1438 WeakPolarHBondContact O-CA 3.45Å; K1435-L1438 WeakPolarHBondContact O-CB 3.41Å; K1435-L1438 PolarHBondContact O-N 2.75Å; K1435-L1438 VanDerWaalsContact O-N 3.07Å; I1436-L1438 PolarHBondContact O-N 2.96Å; L1438-K1442 VanDerWaalsContact O-CB 3.26Å; L1438-K1442 WeakPolarHBondContact O-CB 3.32Å; L1438-K1442 WeakPolarHBondContact O-CG 3.22Å; L1438-K1442 PolarHBondContact O-N 3.37Å |
| 1439 | L | 57.9 | Low | 55.2 | Low | 29 Ų | 29 | 79.7 Ų | 79.7 | 15% | 0.152 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -70.3 | -46.5 | 177.6 | -167.5 | 94.9 | 0 | 0 | 0 | 111.4 | Y1403 F1406 K1435 I1436 K1442 L1443 | Y1403-L1439 HydrophobicContact CD2-CD1 3.67Å; Y1403-L1439 HydrophobicContact CE1-CD1 4.26Å; Y1403-L1439 HydrophobicContact CE2-CD1 3.11Å; Y1403-L1439 HydrophobicContact CE2-CG 4.46Å; Y1403-L1439 HydrophobicContact CG-CD1 4.44Å; Y1403-L1439 VanDerWaalsContact CZ-CD1 3.43Å; F1406-L1439 HydrophobicContact CB-CD2 4.07Å; F1406-L1439 HydrophobicContact CD1-CD2 4.19Å; F1406-L1439 HydrophobicContact CG-CD2 4.14Å; K1435-L1439 PolarHBondContact O-N 3.11Å; I1436-L1439 PolarHBondContact O-N 3.29Å; L1439-K1442 CarbonylContact O-C 3.55Å; L1439-K1442 WeakPolarHBondContact O-CA 3.39Å; L1439-K1442 WeakPolarHBondContact O-CB 3.45Å; L1439-K1442 PolarHBondContact O-N 3.45Å; L1439-L1443 HydrophobicContact CD2-CD1 4.28Å; L1439-L1443 HydrophobicContact CG-CD1 4.43Å; L1439-L1443 PolarHBondContact O-N 3.22Å |
| 1440 | V | 62.9 | Low | 56.2 | Low | 25 Ų | 25 | 76 Ų | 76 | 15% | 0.152 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 174.9 | 175.8 | 0 | 0 | 0 | 0 | 109.8 | I1436 K1442 L1443 I1444 | I1436-V1440 HydrophobicContact CG2-CG2 4.19Å; I1436-V1440 WeakPolarHBondContact O-CB 3.43Å; I1436-V1440 WeakPolarHBondContact O-CG2 3.37Å; I1436-V1440 PolarHBondContact O-N 3.34Å; V1440-K1442 VanDerWaalsContact C-N 3.3Å; V1440-K1442 PolarHBondContact O-N 3.27Å; V1440-L1443 PolarHBondContact O-N 3.38Å; V1440-I1444 HydrophobicContact CG1-CD1 3.74Å; V1440-I1444 HydrophobicContact CG1-CG1 4.33Å; V1440-I1444 WeakPolarHBondContact O-CB 3.26Å; V1440-I1444 WeakPolarHBondContact O-CG1 3.35Å; V1440-I1444 PolarHBondContact O-N 3.38Å |
| 1441 | K | 62.1 | Low | 57.4 | Low | 139 Ų | 139 | 74.2 Ų | 74.2 | 60% | 0.604 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.3 | -36.1 | 169.6 | -79.7 | 174.6 | 177.9 | -178.1 | 0 | 112.3 | N1437 S1445 | N1437-K1441 WeakPolarHBondContact O-CA 3.46Å; N1437-K1441 WeakPolarHBondContact O-CB 3.4Å; N1437-K1441 WeakPolarHBondContact O-CD 3.5Å; N1437-K1441 WeakPolarHBondContact O-CG 3.47Å; N1437-K1441 PolarHBondContact O-N 3.33Å; K1441-S1445 WeakPolarHBondContact O-CA 3.44Å; K1441-S1445 WeakPolarHBondContact O-CB 3.14Å; K1441-S1445 PolarHBondContact O-N 3Å; K1441-S1445 PolarHBondContact O-OG 3.04Å |
| 1442 | K | 60.5 | Low | 58.4 | Low | 112 Ų | 112 | 71.9 Ų | 71.9 | 49% | 0.487 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.5 | -45.5 | 175.2 | -85.3 | 178.1 | 177.4 | -171.8 | 0 | 111 | L1438 L1439 V1440 S1445 A1446 | L1438-K1442 VanDerWaalsContact O-CB 3.26Å; L1438-K1442 WeakPolarHBondContact O-CB 3.32Å; L1438-K1442 WeakPolarHBondContact O-CG 3.22Å; L1438-K1442 PolarHBondContact O-N 3.37Å; L1439-K1442 CarbonylContact O-C 3.55Å; L1439-K1442 WeakPolarHBondContact O-CA 3.39Å; L1439-K1442 WeakPolarHBondContact O-CB 3.45Å; L1439-K1442 PolarHBondContact O-N 3.45Å; V1440-K1442 VanDerWaalsContact C-N 3.3Å; V1440-K1442 PolarHBondContact O-N 3.27Å; K1442-S1445 WeakPolarHBondContact CA-OG 3.14Å; K1442-S1445 CarbonylContact O-C 3.46Å; K1442-S1445 PolarHBondContact O-N 3.1Å; K1442-S1445 PolarHBondContact O-OG 2.94Å; K1442-A1446 WeakPolarHBondContact O-CB 3.36Å; K1442-A1446 PolarHBondContact O-N 3.24Å |
| 1443 | L | 64.8 | Low | 59.5 | Low | 24 Ų | 24 | 74.2 Ų | 74.2 | 13% | 0.126 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 175.5 | -83.1 | 160 | 0 | 0 | 0 | 112 | P1415 V1419 L1439 V1440 A1446 C1447 | P1415-L1443 HydrophobicContact CB-CD2 3.93Å; V1419-L1443 HydrophobicContact CG2-CB 3.94Å; L1439-L1443 HydrophobicContact CD2-CD1 4.28Å; L1439-L1443 HydrophobicContact CG-CD1 4.43Å; L1439-L1443 PolarHBondContact O-N 3.22Å; V1440-L1443 PolarHBondContact O-N 3.38Å; L1443-A1446 PolarHBondContact O-N 3.42Å; L1443-C1447 WeakPolarHBondContact O-CB 3.36Å; L1443-C1447 PolarHBondContact O-N 3.14Å; L1443-C1447 PolarHBondContact O-SG 2.61Å |
| 1444 | I | 66.4 | Low | 60.1 | Low | 54 Ų | 54 | 79.6 Ų | 79.6 | 28% | 0.277 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 173 | -68.3 | 169.3 | 0 | 0 | 0 | 110.2 | V1419 V1440 A1446 C1447 Q1448 | V1419-I1444 HydrophobicContact CG1-CG1 4.15Å; V1440-I1444 HydrophobicContact CG1-CD1 3.74Å; V1440-I1444 HydrophobicContact CG1-CG1 4.33Å; V1440-I1444 WeakPolarHBondContact O-CB 3.26Å; V1440-I1444 WeakPolarHBondContact O-CG1 3.35Å; V1440-I1444 PolarHBondContact O-N 3.38Å; I1444-A1446 VanDerWaalsContact C-N 3.32Å; I1444-A1446 PolarHBondContact O-N 3.07Å; I1444-C1447 PolarHBondContact O-N 3.01Å; I1444-Q1448 HydrophobicContact CG2-CG 4.48Å; I1444-Q1448 VanDerWaalsContact O-CB 3.28Å; I1444-Q1448 WeakPolarHBondContact O-CB 3.42Å; I1444-Q1448 PolarHBondContact O-N 2.79Å |
| 1445 | S | 60.8 | Low | 61.1 | Low | 61 Ų | 61 | 79.4 Ų | 79.4 | 43% | 0.427 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.7 | -33.5 | 176.9 | 76.7 | 0 | 0 | 0 | 0 | 112.1 | K1441 K1442 F1449 | K1441-S1445 WeakPolarHBondContact O-CA 3.44Å; K1441-S1445 WeakPolarHBondContact O-CB 3.14Å; K1441-S1445 PolarHBondContact O-N 3Å; K1441-S1445 PolarHBondContact O-OG 3.04Å; K1442-S1445 WeakPolarHBondContact CA-OG 3.14Å; K1442-S1445 CarbonylContact O-C 3.46Å; K1442-S1445 PolarHBondContact O-N 3.1Å; K1442-S1445 PolarHBondContact O-OG 2.94Å; S1445-F1449 WeakPolarHBondContact O-CA 3.47Å; S1445-F1449 WeakPolarHBondContact O-CB 3.48Å; S1445-F1449 PolarHBondContact O-N 3.33Å |
| 1446 | A | 63 | Low | 61.6 | Low | 47 Ų | 47 | 78.4 Ų | 78.4 | 39% | 0.388 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -70.3 | -45.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | K1442 L1443 I1444 F1449 E1450 | K1442-A1446 WeakPolarHBondContact O-CB 3.36Å; K1442-A1446 PolarHBondContact O-N 3.24Å; L1443-A1446 PolarHBondContact O-N 3.42Å; I1444-A1446 VanDerWaalsContact C-N 3.32Å; I1444-A1446 PolarHBondContact O-N 3.07Å; A1446-F1449 PolarHBondContact O-N 3.12Å; A1446-E1450 PolarHBondContact O-N 3.23Å |
| 1447 | C | 60.9 | Low | 62 | Low | 28 Ų | 28 | 81.5 Ų | 81.5 | 19% | 0.189 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 173.9 | -67.4 | 0 | 0 | 0 | 0 | 111.9 | L1443 I1444 A1451 | L1443-C1447 WeakPolarHBondContact O-CB 3.36Å; L1443-C1447 PolarHBondContact O-N 3.14Å; L1443-C1447 PolarHBondContact O-SG 2.61Å; I1444-C1447 PolarHBondContact O-N 3.01Å; C1447-A1451 VanDerWaalsContact O-CB 3.27Å; C1447-A1451 WeakPolarHBondContact O-CB 3.25Å; C1447-A1451 PolarHBondContact O-N 2.9Å |
| 1448 | Q | 64.2 | Low | 62.5 | Low | 117 Ų | 117 | 86.1 Ų | 86.1 | 55% | 0.547 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.7 | -36 | 174 | -86.4 | 178 | -32.6 | 0 | 0 | 111.8 | I1444 N1452 | I1444-Q1448 HydrophobicContact CG2-CG 4.48Å; I1444-Q1448 VanDerWaalsContact O-CB 3.28Å; I1444-Q1448 WeakPolarHBondContact O-CB 3.42Å; I1444-Q1448 PolarHBondContact O-N 2.79Å; Q1448-N1452 WeakPolarHBondContact O-CA 3.36Å; Q1448-N1452 WeakPolarHBondContact O-CB 3.28Å; Q1448-N1452 PolarHBondContact O-N 3.27Å; Q1448-N1452 PolarHBondContact O-ND2 3.06Å; Q1448-N1452 VanDerWaalsContact O-ND2 3.09Å |
| 1449 | F | 65.9 | Low | 63 | Low | 131 Ų | 131 | 87.2 Ų | 87.2 | 58% | 0.575 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -67.2 | -43.8 | 176.4 | 179.1 | -95.7 | 0 | 0 | 0 | 110.7 | S1445 A1446 N1452 Q1453 | S1445-F1449 WeakPolarHBondContact O-CA 3.47Å; S1445-F1449 WeakPolarHBondContact O-CB 3.48Å; S1445-F1449 PolarHBondContact O-N 3.33Å; A1446-F1449 PolarHBondContact O-N 3.12Å; F1449-N1452 PolarHBondContact O-N 3.27Å; F1449-Q1453 HydrophobicContact CD1-CG 4.3Å; F1449-Q1453 HydrophobicContact CE1-CG 3.84Å; F1449-Q1453 HydrophobicContact CZ-CG 3.99Å; F1449-Q1453 VanDerWaalsContact O-CB 3.24Å; F1449-Q1453 WeakPolarHBondContact O-CB 3.4Å; F1449-Q1453 PolarHBondContact O-N 3.09Å |
| 1450 | E | 60.7 | Low | 62.7 | Low | 129 Ų | 129 | 89.8 Ų | 89.8 | 60% | 0.603 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.3 | -45.5 | 173.4 | -77.4 | -174.2 | 166.2 | 0 | 0 | 111.7 | A1446 N1452 Q1453 M1454 | A1446-E1450 PolarHBondContact O-N 3.23Å; E1450-N1452 PolarHBondContact O-N 2.63Å; E1450-Q1453 WeakPolarHBondContact O-CB 3.4Å; E1450-Q1453 PolarHBondContact O-N 2.94Å; E1450-M1454 WeakPolarHBondContact O-CB 3.27Å; E1450-M1454 PolarHBondContact O-N 3.02Å |
| 1451 | A | 64.5 | Low | 62.3 | Low | 48 Ų | 48 | 91.5 Ų | 91.5 | 40% | 0.397 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | C1447 M1454 I1455 | C1447-A1451 VanDerWaalsContact O-CB 3.27Å; C1447-A1451 WeakPolarHBondContact O-CB 3.25Å; C1447-A1451 PolarHBondContact O-N 2.9Å; A1451-M1454 PolarHBondContact O-N 3.33Å; A1451-I1455 VanDerWaalsContact O-CG1 3.27Å; A1451-I1455 WeakPolarHBondContact O-CG1 3.43Å; A1451-I1455 PolarHBondContact O-N 3.11Å |
| 1452 | N | 63.3 | Low | 62.1 | Low | 91 Ų | 91 | 86.7 Ų | 86.7 | 49% | 0.487 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.2 | -40.7 | 177.2 | -74.9 | -27.3 | 0 | 0 | 0 | 111.5 | Q1448 F1449 E1450 M1454 I1455 L1456 | Q1448-N1452 WeakPolarHBondContact O-CA 3.36Å; Q1448-N1452 WeakPolarHBondContact O-CB 3.28Å; Q1448-N1452 PolarHBondContact O-N 3.27Å; Q1448-N1452 PolarHBondContact O-ND2 3.06Å; Q1448-N1452 VanDerWaalsContact O-ND2 3.09Å; F1449-N1452 PolarHBondContact O-N 3.27Å; E1450-N1452 PolarHBondContact O-N 2.63Å; N1452-M1454 VanDerWaalsContact C-N 3.29Å; N1452-M1454 PolarHBondContact O-N 3.35Å; N1452-I1455 PolarHBondContact O-N 3.07Å; N1452-L1456 VanDerWaalsContact O-CB 3.28Å; N1452-L1456 WeakPolarHBondContact O-CB 3.49Å; N1452-L1456 PolarHBondContact O-N 2.74Å |
| 1453 | Q | 62.9 | Low | 61.6 | Low | 87 Ų | 87 | 88.5 Ų | 88.5 | 41% | 0.407 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.3 | -43.9 | 171.4 | -99.3 | -88.2 | -8.8 | 0 | 0 | 110.6 | F1449 E1450 L1456 N1457 | F1449-Q1453 HydrophobicContact CD1-CG 4.3Å; F1449-Q1453 HydrophobicContact CE1-CG 3.84Å; F1449-Q1453 HydrophobicContact CZ-CG 3.99Å; F1449-Q1453 VanDerWaalsContact O-CB 3.24Å; F1449-Q1453 WeakPolarHBondContact O-CB 3.4Å; F1449-Q1453 PolarHBondContact O-N 3.09Å; E1450-Q1453 WeakPolarHBondContact O-CB 3.4Å; E1450-Q1453 PolarHBondContact O-N 2.94Å; Q1453-L1456 PolarHBondContact O-N 2.83Å; Q1453-N1457 WeakPolarHBondContact O-CB 3.45Å; Q1453-N1457 PolarHBondContact O-N 3.23Å; Q1453-N1457 PolarHBondContact O-ND2 3.3Å; Q1453-N1457 VanDerWaalsContact O-ND2 3.1Å; Q1453-N1457 PolarHBondContact OE1-ND2 3.19Å |
| 1454 | M | 63 | Low | 60.8 | Low | 151 Ų | 151 | 93.8 Ų | 93.8 | 74% | 0.744 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.2 | -40.4 | 178.6 | -161.3 | 177.7 | 170 | 0 | 0 | 111.9 | E1450 A1451 N1452 K1458 | E1450-M1454 WeakPolarHBondContact O-CB 3.27Å; E1450-M1454 PolarHBondContact O-N 3.02Å; A1451-M1454 PolarHBondContact O-N 3.33Å; N1452-M1454 VanDerWaalsContact C-N 3.29Å; N1452-M1454 PolarHBondContact O-N 3.35Å; M1454-K1458 VanDerWaalsContact O-CB 3.31Å; M1454-K1458 WeakPolarHBondContact O-CB 3.48Å; M1454-K1458 PolarHBondContact O-N 3.37Å |
| 1455 | I | 69.7 | Low | 60 | Low | 86 Ų | 86 | 96.1 Ų | 96.1 | 44% | 0.441 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.5 | -42.9 | 173.4 | -66.6 | 163.9 | 0 | 0 | 0 | 111 | A1451 N1452 K1458 Q1459 | A1451-I1455 VanDerWaalsContact O-CG1 3.27Å; A1451-I1455 WeakPolarHBondContact O-CG1 3.43Å; A1451-I1455 PolarHBondContact O-N 3.11Å; N1452-I1455 PolarHBondContact O-N 3.07Å; I1455-K1458 WeakPolarHBondContact O-CB 3.44Å; I1455-K1458 PolarHBondContact O-N 2.88Å; I1455-Q1459 HydrophobicContact CG2-CG 4.43Å; I1455-Q1459 WeakPolarHBondContact O-CB 3Å; I1455-Q1459 WeakPolarHBondContact O-CG 3.27Å; I1455-Q1459 PolarHBondContact O-N 3.37Å |
| 1456 | L | 56.1 | Low | 59.6 | Low | 97 Ų | 97 | 96.4 Ų | 96.4 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 179 | -133 | 97 | 0 | 0 | 0 | 110.6 | N1452 Q1453 K1458 Q1459 L1460 | N1452-L1456 VanDerWaalsContact O-CB 3.28Å; N1452-L1456 WeakPolarHBondContact O-CB 3.49Å; N1452-L1456 PolarHBondContact O-N 2.74Å; Q1453-L1456 PolarHBondContact O-N 2.83Å; L1456-K1458 VanDerWaalsContact C-N 3.33Å; L1456-Q1459 CarbonylContact O-C 3.59Å; L1456-Q1459 PolarHBondContact O-N 2.91Å; L1456-L1460 HydrophobicContact CD2-CD1 3.98Å; L1456-L1460 HydrophobicContact CG-CD1 4.46Å; L1456-L1460 VanDerWaalsContact O-CB 3.23Å; L1456-L1460 WeakPolarHBondContact O-CB 3.47Å; L1456-L1460 WeakPolarHBondContact O-CG 3.33Å; L1456-L1460 PolarHBondContact O-N 3Å |
| 1457 | N | 61.6 | Low | 59.1 | Low | 84 Ų | 84 | 98.2 Ų | 98.2 | 45% | 0.449 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.5 | -37.4 | 175.8 | -73.2 | -29.2 | 0 | 0 | 0 | 110.9 | Q1453 A1461 | Q1453-N1457 WeakPolarHBondContact O-CB 3.45Å; Q1453-N1457 PolarHBondContact O-N 3.23Å; Q1453-N1457 PolarHBondContact O-ND2 3.3Å; Q1453-N1457 VanDerWaalsContact O-ND2 3.1Å; Q1453-N1457 PolarHBondContact OE1-ND2 3.19Å; N1457-A1461 WeakPolarHBondContact O-CB 3.5Å; N1457-A1461 PolarHBondContact O-N 2.98Å |
| 1458 | K | 67.3 | Low | 58.5 | Low | 172 Ų | 172 | 104.4 Ų | 104.4 | 75% | 0.748 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.5 | -39 | 171.9 | -169 | 175.8 | -177.5 | 177.1 | 0 | 112.3 | M1454 I1455 L1456 G1462 | M1454-K1458 VanDerWaalsContact O-CB 3.31Å; M1454-K1458 WeakPolarHBondContact O-CB 3.48Å; M1454-K1458 PolarHBondContact O-N 3.37Å; I1455-K1458 WeakPolarHBondContact O-CB 3.44Å; I1455-K1458 PolarHBondContact O-N 2.88Å; L1456-K1458 VanDerWaalsContact C-N 3.33Å; K1458-G1462 PolarHBondContact O-N 3.18Å; K1458-G1462 VanDerWaalsContact O-N 3.11Å |
| 1459 | Q | 64 | Low | 57.9 | Low | 120 Ų | 120 | 102.6 Ų | 102.6 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -75 | -36.7 | 177.2 | -74.2 | -179.5 | -1.8 | 0 | 0 | 113.2 | I1455 L1456 G1462 K1463 | I1455-Q1459 HydrophobicContact CG2-CG 4.43Å; I1455-Q1459 WeakPolarHBondContact O-CB 3Å; I1455-Q1459 WeakPolarHBondContact O-CG 3.27Å; I1455-Q1459 PolarHBondContact O-N 3.37Å; L1456-Q1459 CarbonylContact O-C 3.59Å; L1456-Q1459 PolarHBondContact O-N 2.91Å; Q1459-G1462 PolarHBondContact O-N 2.89Å; Q1459-K1463 WeakPolarHBondContact O-CB 3.34Å; Q1459-K1463 PolarHBondContact O-N 3.45Å |
| 1460 | L | 51.6 | Low | 57.2 | Low | 83 Ų | 83 | 101.3 Ų | 101.3 | 44% | 0.435 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.9 | -43.4 | 174.3 | -84.2 | 159.8 | 0 | 0 | 0 | 110.5 | L1456 G1462 K1463 E1464 | L1456-L1460 HydrophobicContact CD2-CD1 3.98Å; L1456-L1460 HydrophobicContact CG-CD1 4.46Å; L1456-L1460 VanDerWaalsContact O-CB 3.23Å; L1456-L1460 WeakPolarHBondContact O-CB 3.47Å; L1456-L1460 WeakPolarHBondContact O-CG 3.33Å; L1456-L1460 PolarHBondContact O-N 3Å; L1460-G1462 VanDerWaalsContact C-N 3.29Å; L1460-G1462 PolarHBondContact O-N 3.39Å; L1460-K1463 PolarHBondContact O-N 2.93Å; L1460-E1464 WeakPolarHBondContact O-CB 3.22Å; L1460-E1464 PolarHBondContact O-N 3.01Å |
| 1461 | A | 54.2 | Low | 56.5 | Low | 61 Ų | 61 | 103.2 Ų | 103.2 | 50% | 0.504 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.1 | -40.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N1457 L1465 | N1457-A1461 WeakPolarHBondContact O-CB 3.5Å; N1457-A1461 PolarHBondContact O-N 2.98Å; A1461-L1465 WeakPolarHBondContact O-CB 3.34Å; A1461-L1465 PolarHBondContact O-N 3.03Å |
| 1462 | G | 58.3 | Low | 55.8 | Low | 37 Ų | 37 | 104 Ų | 104 | 38% | 0.381 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.5 | -37.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | K1458 Q1459 L1460 T1466 | K1458-G1462 PolarHBondContact O-N 3.18Å; K1458-G1462 VanDerWaalsContact O-N 3.11Å; Q1459-G1462 PolarHBondContact O-N 2.89Å; L1460-G1462 VanDerWaalsContact C-N 3.29Å; L1460-G1462 PolarHBondContact O-N 3.39Å; G1462-T1466 PolarHBondContact O-N 2.93Å; G1462-T1466 PolarHBondContact O-OG1 3.32Å |
| 1463 | K | 49.9 | Very low | 55.2 | Low | 150 Ų | 150 | 104.4 Ų | 104.4 | 65% | 0.652 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -74.2 | -37.7 | 177.3 | -91.2 | -177.4 | 174.4 | 175.2 | 0 | 112.9 | Q1459 L1460 L1465 T1466 V1467 | Q1459-K1463 WeakPolarHBondContact O-CB 3.34Å; Q1459-K1463 PolarHBondContact O-N 3.45Å; L1460-K1463 PolarHBondContact O-N 2.93Å; K1463-L1465 VanDerWaalsContact C-N 3.34Å; K1463-T1466 VanDerWaalsContact CA-OG1 3.3Å; K1463-T1466 WeakPolarHBondContact CA-OG1 3.48Å; K1463-T1466 PolarHBondContact O-N 3.28Å; K1463-T1466 PolarHBondContact O-OG1 3.42Å; K1463-T1466 VanDerWaalsContact O-OG1 3.1Å; K1463-V1467 WeakPolarHBondContact O-CB 3.43Å; K1463-V1467 VanDerWaalsContact O-CG2 3.23Å; K1463-V1467 WeakPolarHBondContact O-CG2 3.4Å; K1463-V1467 PolarHBondContact O-N 3Å |
| 1464 | E | 49 | Very low | 54.5 | Low | 135 Ų | 135 | 107.6 Ų | 107.6 | 63% | 0.631 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.2 | -35.4 | 175 | -76.9 | -167.4 | 152.2 | 0 | 0 | 111.9 | L1460 K1468 | L1460-E1464 WeakPolarHBondContact O-CB 3.22Å; L1460-E1464 PolarHBondContact O-N 3.01Å; E1464-K1468 WeakPolarHBondContact O-CB 3.41Å; E1464-K1468 PolarHBondContact O-N 3.38Å |
| 1465 | L | 48.5 | Very low | 53.6 | Low | 104 Ų | 104 | 106 Ų | 106 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 174.1 | -151.1 | 83.8 | 0 | 0 | 0 | 111.7 | A1461 K1463 Q1469 | A1461-L1465 WeakPolarHBondContact O-CB 3.34Å; A1461-L1465 PolarHBondContact O-N 3.03Å; K1463-L1465 VanDerWaalsContact C-N 3.34Å; L1465-Q1469 VanDerWaalsContact O-CB 3.31Å; L1465-Q1469 WeakPolarHBondContact O-CB 3.28Å; L1465-Q1469 WeakPolarHBondContact O-CG 3.39Å; L1465-Q1469 PolarHBondContact O-N 2.87Å |
| 1466 | T | 52.9 | Low | 52.5 | Low | 66 Ų | 66 | 110.8 Ų | 110.8 | 41% | 0.405 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -74.2 | -34.4 | 178.7 | 39.5 | 0 | 0 | 0 | 0 | 113.3 | G1462 K1463 Q1469 L1470 | G1462-T1466 PolarHBondContact O-N 2.93Å; G1462-T1466 PolarHBondContact O-OG1 3.32Å; K1463-T1466 VanDerWaalsContact CA-OG1 3.3Å; K1463-T1466 WeakPolarHBondContact CA-OG1 3.48Å; K1463-T1466 PolarHBondContact O-N 3.28Å; K1463-T1466 PolarHBondContact O-OG1 3.42Å; K1463-T1466 VanDerWaalsContact O-OG1 3.1Å; T1466-Q1469 PolarHBondContact O-N 2.76Å; T1466-L1470 VanDerWaalsContact O-CB 3.28Å; T1466-L1470 WeakPolarHBondContact O-CB 3.43Å; T1466-L1470 PolarHBondContact O-N 3.33Å |
| 1467 | V | 52.9 | Low | 52 | Low | 85 Ų | 85 | 112.5 Ų | 112.5 | 52% | 0.515 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -72.4 | -37.7 | 174.3 | 171.7 | 0 | 0 | 0 | 0 | 111.6 | K1463 R1471 | K1463-V1467 WeakPolarHBondContact O-CB 3.43Å; K1463-V1467 VanDerWaalsContact O-CG2 3.23Å; K1463-V1467 WeakPolarHBondContact O-CG2 3.4Å; K1463-V1467 PolarHBondContact O-N 3Å; V1467-R1471 VanDerWaalsContact O-CB 3.27Å; V1467-R1471 WeakPolarHBondContact O-CB 3.44Å; V1467-R1471 PolarHBondContact O-N 2.89Å |
| 1468 | K | 48.5 | Very low | 51.2 | Low | 159 Ų | 159 | 111.9 Ų | 111.9 | 69% | 0.691 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.5 | -50.1 | 168.3 | -95.1 | 177.8 | 174 | 170.4 | 0 | 110.5 | E1464 L1470 R1471 T1472 | E1464-K1468 WeakPolarHBondContact O-CB 3.41Å; E1464-K1468 PolarHBondContact O-N 3.38Å; K1468-L1470 PolarHBondContact O-N 2.93Å; K1468-R1471 PolarHBondContact O-N 3.48Å; K1468-R1471 VanDerWaalsContact O-N 3.17Å; K1468-T1472 WeakPolarHBondContact O-CB 3.38Å; K1468-T1472 PolarHBondContact O-N 3.4Å; K1468-T1472 PolarHBondContact O-OG1 3.17Å |
| 1469 | Q | 50.8 | Low | 50.3 | Low | 78 Ų | 78 | 106.2 Ų | 106.2 | 36% | 0.364 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.9 | -38.7 | 178.1 | -77.2 | 172.7 | -16 | 0 | 0 | 113.3 | L1465 T1466 L1473 | L1465-Q1469 VanDerWaalsContact O-CB 3.31Å; L1465-Q1469 WeakPolarHBondContact O-CB 3.28Å; L1465-Q1469 WeakPolarHBondContact O-CG 3.39Å; L1465-Q1469 PolarHBondContact O-N 2.87Å; T1466-Q1469 PolarHBondContact O-N 2.76Å; Q1469-L1473 VanDerWaalsContact O-CB 3.23Å; Q1469-L1473 WeakPolarHBondContact O-CB 3.38Å; Q1469-L1473 WeakPolarHBondContact O-CG 3.43Å; Q1469-L1473 PolarHBondContact O-N 2.94Å |
| 1470 | L | 51 | Low | 49.8 | Very low | 104 Ų | 104 | 104.2 Ų | 104.2 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.4 | -34 | 175.1 | -96.6 | 152.1 | 0 | 0 | 0 | 113.3 | T1466 K1468 K1474 | T1466-L1470 VanDerWaalsContact O-CB 3.28Å; T1466-L1470 WeakPolarHBondContact O-CB 3.43Å; T1466-L1470 PolarHBondContact O-N 3.33Å; K1468-L1470 PolarHBondContact O-N 2.93Å; L1470-K1474 WeakPolarHBondContact O-CB 3.4Å; L1470-K1474 WeakPolarHBondContact O-CG 3.32Å; L1470-K1474 PolarHBondContact O-N 2.77Å |
| 1471 | R | 46 | Very low | 50 | Low | 170 Ų | 170 | 103.1 Ų | 103.1 | 64% | 0.642 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -71 | -41.2 | 173.9 | -165.5 | -179.8 | -84.2 | 177.3 | -5.6 | 110.3 | V1467 K1468 K1474 E1475 | V1467-R1471 VanDerWaalsContact O-CB 3.27Å; V1467-R1471 WeakPolarHBondContact O-CB 3.44Å; V1467-R1471 PolarHBondContact O-N 2.89Å; K1468-R1471 PolarHBondContact O-N 3.48Å; K1468-R1471 VanDerWaalsContact O-N 3.17Å; R1471-K1474 PolarHBondContact O-N 3.1Å; R1471-E1475 WeakPolarHBondContact O-CB 3.41Å; R1471-E1475 VanDerWaalsContact O-CG 3.27Å; R1471-E1475 WeakPolarHBondContact O-CG 3.5Å; R1471-E1475 PolarHBondContact O-N 3.5Å |
| 1472 | T | 51.6 | Low | 50.2 | Low | 64 Ų | 64 | 102.9 Ų | 102.9 | 39% | 0.393 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.3 | -41 | 172.7 | -43.2 | 0 | 0 | 0 | 0 | 111.5 | K1468 K1474 E1475 Y1476 | K1468-T1472 WeakPolarHBondContact O-CB 3.38Å; K1468-T1472 PolarHBondContact O-N 3.4Å; K1468-T1472 PolarHBondContact O-OG1 3.17Å; T1472-K1474 PolarHBondContact O-N 3.42Å; T1472-E1475 PolarHBondContact O-N 3.03Å; T1472-Y1476 HydrophobicContact CG2-CD2 3.73Å; T1472-Y1476 HydrophobicContact CG2-CE2 3.76Å; T1472-Y1476 WeakPolarHBondContact O-CB 3.13Å; T1472-Y1476 VanDerWaalsContact O-CD2 3.27Å; T1472-Y1476 WeakPolarHBondContact O-CD2 3.31Å; T1472-Y1476 PolarHBondContact O-N 3.42Å |
| 1473 | L | 50.6 | Low | 50.2 | Low | 99 Ų | 99 | 111.3 Ų | 111.3 | 52% | 0.518 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.1 | -34.8 | 173.8 | -91.6 | 156 | 0 | 0 | 0 | 113.1 | Q1469 N1477 | Q1469-L1473 VanDerWaalsContact O-CB 3.23Å; Q1469-L1473 WeakPolarHBondContact O-CB 3.38Å; Q1469-L1473 WeakPolarHBondContact O-CG 3.43Å; Q1469-L1473 PolarHBondContact O-N 2.94Å; L1473-N1477 WeakPolarHBondContact O-CB 3.39Å; L1473-N1477 VanDerWaalsContact O-CG 3.3Å; L1473-N1477 PolarHBondContact O-N 2.91Å; L1473-N1477 PolarHBondContact O-ND2 3.31Å |
| 1474 | K | 47.1 | Very low | 50.8 | Low | 154 Ų | 154 | 106.5 Ų | 106.5 | 67% | 0.67 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -71 | -36.2 | 172.2 | -85.3 | -176.5 | 174.2 | -179.4 | 0 | 112.4 | L1470 R1471 T1472 C1478 | L1470-K1474 WeakPolarHBondContact O-CB 3.4Å; L1470-K1474 WeakPolarHBondContact O-CG 3.32Å; L1470-K1474 PolarHBondContact O-N 2.77Å; R1471-K1474 PolarHBondContact O-N 3.1Å; T1472-K1474 PolarHBondContact O-N 3.42Å; K1474-C1478 PolarHBondContact O-SG 3.04Å |
| 1475 | E | 45.1 | Very low | 51.9 | Low | 117 Ų | 117 | 104.8 Ų | 104.8 | 55% | 0.547 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70.9 | -34.3 | 174.7 | -73.8 | 168.9 | -176.7 | 0 | 0 | 112.2 | R1471 T1472 | R1471-E1475 WeakPolarHBondContact O-CB 3.41Å; R1471-E1475 VanDerWaalsContact O-CG 3.27Å; R1471-E1475 WeakPolarHBondContact O-CG 3.5Å; R1471-E1475 PolarHBondContact O-N 3.5Å; T1472-E1475 PolarHBondContact O-N 3.03Å |
| 1476 | Y | 46.3 | Very low | 53.2 | Low | 187 Ų | 187 | 103.5 Ų | 103.5 | 73% | 0.733 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -79.2 | -26 | 175.5 | -91.5 | -94.2 | 0 | 0 | 0 | 114 | T1472 C1478 | T1472-Y1476 HydrophobicContact CG2-CD2 3.73Å; T1472-Y1476 HydrophobicContact CG2-CE2 3.76Å; T1472-Y1476 WeakPolarHBondContact O-CB 3.13Å; T1472-Y1476 VanDerWaalsContact O-CD2 3.27Å; T1472-Y1476 WeakPolarHBondContact O-CD2 3.31Å; T1472-Y1476 PolarHBondContact O-N 3.42Å; Y1476-C1478 VanDerWaalsContact C-N 3.34Å |
| 1477 | N | 45.3 | Very low | 54.6 | Low | 133 Ų | 133 | 100.4 Ų | 100.4 | 71% | 0.711 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -85.1 | -1 | 177.7 | -79.9 | -21.6 | 0 | 0 | 0 | 114.3 | L1473 G1479 | L1473-N1477 WeakPolarHBondContact O-CB 3.39Å; L1473-N1477 VanDerWaalsContact O-CG 3.3Å; L1473-N1477 PolarHBondContact O-N 2.91Å; L1473-N1477 PolarHBondContact O-ND2 3.31Å; N1477-G1479 PolarHBondContact O-N 3.11Å |
| 1478 | C | 43.7 | Very low | 55.6 | Low | 72 Ų | 72 | 98.3 Ų | 98.3 | 49% | 0.486 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -88.1 | 88.6 | 166.3 | -61 | 0 | 0 | 0 | 0 | 108.6 | K1474 Y1476 | K1474-C1478 PolarHBondContact O-SG 3.04Å; Y1476-C1478 VanDerWaalsContact C-N 3.34Å |
| 1479 | G | 49.6 | Very low | 57 | Low | 52 Ų | 52 | 93.7 Ų | 93.7 | 54% | 0.536 | 47% | 0.471 | S | S | . | . | trans | -52.7 | 151.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1477 S1481 | N1477-G1479 PolarHBondContact O-N 3.11Å; G1479-S1481 PolarHBondContact O-N 2.91Å | ||
| 1480 | F | 54.1 | Low | 58.2 | Low | 78 Ų | 78 | 91.6 Ų | 91.6 | 34% | 0.342 | 47% | 0.465 | S | S | . | . | trans | -63.8 | 100 | 175.3 | -61.8 | -93.7 | 0 | 0 | 0 | 110.4 | H1527 F1601 | F1480-H1527 AromaticContact CD1-ND1 3.7Å; F1480-H1527 AromaticContact CE1-CE1 3.23Å; F1480-H1527 WeakPolarHBondContact CE1-CE1 3.49Å; F1480-H1527 AromaticContact CE1-ND1 3.22Å; F1480-H1527 WeakPolarHBondContact CE1-ND1 3.49Å; F1480-H1527 AromaticContact CE2-CE1 3.76Å; F1480-H1527 AromaticContact CZ-CE1 3.04Å; F1480-H1527 WeakPolarHBondContact CZ-CE1 3.25Å; F1480-H1527 AromaticContact CZ-ND1 3.52Å; F1480-F1601 HydrophobicContact CB-CD1 3.23Å; F1480-F1601 HydrophobicContact CB-CE1 3.38Å; F1480-F1601 HydrophobicContact CB-CG 4.21Å; F1480-F1601 HydrophobicContact CB-CZ 4.46Å; F1480-F1601 HydrophobicContact CD1-CB 3.96Å; F1480-F1601 AromaticContact CD1-CD1 3.64Å; F1480-F1601 HydrophobicContact CD1-CD1 3.64Å; F1480-F1601 HydrophobicContact CD1-CG 4.23Å; F1480-F1601 HydrophobicContact CD2-CB 3.88Å; F1480-F1601 AromaticContact CD2-CD1 3.81Å; F1480-F1601 HydrophobicContact CD2-CD1 3.81Å; F1480-F1601 AromaticContact CD2-CG 3.96Å; F1480-F1601 HydrophobicContact CD2-CG 3.96Å; F1480-F1601 HydrophobicContact CE1-CB 3.77Å; F1480-F1601 HydrophobicContact CE1-CD1 4.33Å; F1480-F1601 WeakPolarHBondContact CE1-OXT 3.43Å; F1480-F1601 HydrophobicContact CE2-CB 3.72Å; F1480-F1601 HydrophobicContact CE2-CD1 4.5Å; F1480-F1601 HydrophobicContact CE2-CG 4.3Å; F1480-F1601 HydrophobicContact CG-CB 3.99Å; F1480-F1601 AromaticContact CG-CD1 3.31Å; F1480-F1601 HydrophobicContact CG-CD1 3.31Å; F1480-F1601 HydrophobicContact CG-CE1 4.01Å; F1480-F1601 AromaticContact CG-CG 3.91Å; F1480-F1601 HydrophobicContact CG-CG 3.91Å; F1480-F1601 HydrophobicContact CZ-CB 3.63Å | ||
| 1481 | S | 53.9 | Low | 59.4 | Low | 61 Ų | 61 | 94.4 Ų | 94.4 | 43% | 0.427 | 48% | 0.475 | S | S | . | . | trans | -118.8 | 140.8 | 170.5 | 80.6 | 0 | 0 | 0 | 0 | 109.9 | G1479 H1529 | G1479-S1481 PolarHBondContact O-N 2.91Å; S1481-H1529 WeakPolarHBondContact O-CA 3.29Å; S1481-H1529 WeakPolarHBondContact O-CB 3.34Å; S1481-H1529 PolarHBondContact O-ND1 3.46Å; S1481-H1529 PolarHBondContact OG-CE1 3.02Å; S1481-H1529 VanDerWaalsContact OG-CE1 3.31Å; S1481-H1529 PolarHBondContact OG-ND1 3.44Å; S1481-H1529 VanDerWaalsContact OG-ND1 3.09Å | ||
| 1482 | N | 59.3 | Low | 60.4 | Low | 56 Ų | 56 | 88.9 Ų | 88.9 | 30% | 0.299 | 46% | 0.458 | S | S | . | . | trans | -97 | 123.3 | 176.7 | -175.6 | 6.6 | 0 | 0 | 0 | 109 | S1484 L1494 A1531 | N1482-S1484 VanDerWaalsContact C-N 3.32Å; N1482-S1484 PolarHBondContact ND2-O 3.33Å; N1482-S1484 PolarHBondContact OD1-N 3.07Å; N1482-S1484 VanDerWaalsContact OD1-N 3.07Å; N1482-S1484 PolarHBondContact OD1-O 2.9Å; N1482-L1494 VanDerWaalsContact ND2-CD1 3.29Å; N1482-L1494 WeakPolarHBondContact ND2-CD1 3.48Å; N1482-A1531 WeakPolarHBondContact ND2-CB 3.26Å | ||
| 1483 | R | 58.4 | Low | 61.5 | Low | 213 Ų | 213 | 87.5 Ų | 87.5 | 80% | 0.804 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -76.3 | -17.4 | 177.1 | -78.3 | -176.3 | -179.8 | -175.2 | 0.3 | 113 | H1529 | R1483-H1529 HydrophobicContact CG-CB 4.07Š|
| 1484 | S | 62.7 | Low | 62.3 | Low | 50 Ų | 50 | 83.5 Ų | 83.5 | 35% | 0.35 | 43% | 0.427 | S | S | . | . | trans | -147.5 | 136.1 | 179.4 | 68.7 | 0 | 0 | 0 | 0 | 113 | N1482 I1486 | N1482-S1484 VanDerWaalsContact C-N 3.32Å; N1482-S1484 PolarHBondContact ND2-O 3.33Å; N1482-S1484 PolarHBondContact OD1-N 3.07Å; N1482-S1484 VanDerWaalsContact OD1-N 3.07Å; N1482-S1484 PolarHBondContact OD1-O 2.9Å; S1484-I1486 PolarHBondContact O-N 3.3Å; S1484-I1486 PolarHBondContact OG-O 3.48Å | ||
| 1485 | L | 71.6 | Confident | 63 | Low | 98 Ų | 98 | 84.2 Ų | 84.2 | 51% | 0.513 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -71.6 | 20.1 | 174.7 | -77.6 | 164.2 | 0 | 0 | 0 | 113.3 | D1493 L1494 | L1485-D1493 CarbonylContact O-C 3.58Å; L1485-D1493 VanDerWaalsContact O-CA 3.23Å; L1485-D1493 WeakPolarHBondContact O-CA 3.46Å; L1485-L1494 PolarHBondContact O-N 3.39Å |
| 1486 | I | 77 | Confident | 63.6 | Low | 78 Ų | 78 | 82.7 Ų | 82.7 | 40% | 0.4 | 42% | 0.42 | S | S | . | . | B | Isolated β-bridge | trans | -122.2 | 132.6 | -169.8 | -59.7 | 175.4 | 0 | 0 | 0 | 108.6 | S1484 S1488 E1491 L1492 | S1484-I1486 PolarHBondContact O-N 3.3Å; S1484-I1486 PolarHBondContact OG-O 3.48Å; I1486-S1488 PolarHBondContact O-N 3.41Å; I1486-E1491 VanDerWaalsContact CG2-CA 3.46Å; I1486-E1491 HydrophobicContact CG2-CB 4.34Å; I1486-E1491 WeakPolarHBondContact CG2-O 3.27Å; I1486-L1492 WeakPolarHBondContact CA-O 3.4Å |
| 1487 | C | 81.2 | Confident | 63.9 | Low | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 42% | 0.415 | C | S | . | . | trans | -64.5 | 122.1 | 173.5 | 176.4 | 0 | 0 | 0 | 0 | 109.5 | I1489 C1490 E1491 L1492 L1494 | C1487-I1489 PolarHBondContact O-N 3.42Å; C1487-C1490 VanDerWaalsContact CB-SG 3.5Å; C1487-C1490 PolarHBondContact O-N 2.96Å; C1487-C1490 VanDerWaalsContact SG-SG 3.7Å; C1487-E1491 VanDerWaalsContact O-CA 3.26Å; C1487-E1491 WeakPolarHBondContact O-CA 3.47Å; C1487-E1491 PolarHBondContact O-N 3.5Å; C1487-L1492 PolarHBondContact N-O 3.41Å; C1487-L1494 HydrophobicContact CB-CD2 3.68Å; C1487-L1494 HydrophobicContact CB-CG 4.4Å | ||
| 1488 | S | 74.8 | Confident | 63.7 | Low | 41 Ų | 41 | 79.5 Ų | 79.5 | 29% | 0.287 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 6.9 | -176.4 | -40.3 | 0 | 0 | 0 | 0 | 114.8 | I1486 A1531 | I1486-S1488 PolarHBondContact O-N 3.41Å; S1488-A1531 PolarHBondContact N-O 3.04Å |
| 1489 | I | 76.5 | Confident | 63.5 | Low | 62 Ų | 62 | 80.4 Ų | 80.4 | 32% | 0.318 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -52.8 | 172.8 | -67.4 | 159.4 | 0 | 0 | 0 | 110.8 | C1487 F1532 C1536 L1537 L1540 | C1487-I1489 PolarHBondContact O-N 3.42Å; I1489-F1532 HydrophobicContact CB-CD1 4.39Å; I1489-F1532 HydrophobicContact CD1-CB 4.41Å; I1489-F1532 HydrophobicContact CD1-CD1 3.33Å; I1489-F1532 HydrophobicContact CD1-CE1 3.8Å; I1489-F1532 HydrophobicContact CD1-CG 4.13Å; I1489-F1532 HydrophobicContact CG1-CD1 3.53Å; I1489-F1532 HydrophobicContact CG1-CE1 3.69Å; I1489-C1536 HydrophobicContact CB-CB 4.03Å; I1489-C1536 HydrophobicContact CD1-CB 3.74Å; I1489-C1536 HydrophobicContact CG2-CB 4.08Å; I1489-L1537 HydrophobicContact CD1-CD2 4.48Å; I1489-L1540 HydrophobicContact CD1-CD1 3.36Å; I1489-L1540 HydrophobicContact CD1-CG 4.38Å; I1489-L1540 HydrophobicContact CG1-CD1 3.77Å; I1489-L1540 HydrophobicContact CG2-CD1 4.35Å |
| 1490 | C | 76.6 | Confident | 63.1 | Low | 35 Ų | 35 | 82.3 Ų | 82.3 | 24% | 0.236 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -0.1 | -174.9 | 72.3 | 0 | 0 | 0 | 0 | 113.9 | C1487 L1492 L1499 H1533 | C1487-C1490 VanDerWaalsContact CB-SG 3.5Å; C1487-C1490 PolarHBondContact O-N 2.96Å; C1487-C1490 VanDerWaalsContact SG-SG 3.7Å; C1490-L1492 PolarHBondContact O-N 3Å; C1490-L1499 HydrophobicContact CB-CD1 4.27Å; C1490-H1533 PolarHBondContact SG-ND1 2.89Å; C1490-H1533 VanDerWaalsContact SG-ND1 3.38Å |
| 1491 | E | 75.3 | Confident | 62.5 | Low | 163 Ų | 163 | 83.5 Ų | 83.5 | 76% | 0.762 | 43% | 0.426 | S | S | * | . | trans | 53.1 | 13.1 | -179.6 | -61.3 | -173.1 | 169.4 | 0 | 0 | 115.5 | I1486 C1487 | I1486-E1491 VanDerWaalsContact CG2-CA 3.46Å; I1486-E1491 HydrophobicContact CG2-CB 4.34Å; I1486-E1491 WeakPolarHBondContact CG2-O 3.27Å; C1487-E1491 VanDerWaalsContact O-CA 3.26Å; C1487-E1491 WeakPolarHBondContact O-CA 3.47Å; C1487-E1491 PolarHBondContact O-N 3.5Å | ||
| 1492 | L | 67.7 | Low | 61.6 | Low | 53 Ų | 53 | 92.6 Ų | 92.6 | 28% | 0.277 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -90.5 | 149.6 | 173.9 | -72.5 | 164.7 | 0 | 0 | 0 | 110.1 | I1486 C1487 C1490 L1494 L1499 | I1486-L1492 WeakPolarHBondContact CA-O 3.4Å; C1487-L1492 PolarHBondContact N-O 3.41Å; C1490-L1492 PolarHBondContact O-N 3Å; L1492-L1494 PolarHBondContact O-N 3.39Å; L1492-L1499 HydrophobicContact CD1-CD1 3.91Å; L1492-L1499 HydrophobicContact CD1-CD2 3.25Å; L1492-L1499 HydrophobicContact CD1-CG 3.41Å; L1492-L1499 VanDerWaalsContact CD1-CG 3.41Å |
| 1493 | D | 73.6 | Confident | 60.5 | Low | 35 Ų | 35 | 101.1 Ų | 101.1 | 19% | 0.187 | 48% | 0.479 | C | S | . | . | B | Isolated β-bridge | trans | -53.2 | 131.7 | 172.9 | -168.6 | -48.5 | 0 | 0 | 0 | 109.5 | L1485 R1495 I1496 | L1485-D1493 CarbonylContact O-C 3.58Å; L1485-D1493 VanDerWaalsContact O-CA 3.23Å; L1485-D1493 WeakPolarHBondContact O-CA 3.46Å; D1493-R1495 PolarHBondContact O-N 2.98Å; D1493-R1495 WeakPolarHBondContact OD1-CB 3.42Å; D1493-R1495 VanDerWaalsContact OD1-CG 3.25Å; D1493-R1495 WeakPolarHBondContact OD1-CG 3.44Å; D1493-R1495 IonicContact OD1-CZ 3.64Å; D1493-R1495 PolarHBondContact OD1-N 2.99Å; D1493-R1495 IonicContact OD1-NE 2.86Å; D1493-R1495 PolarHBondContact OD1-NE 2.97Å; D1493-R1495 IonicContact OD1-NH2 3.63Å; D1493-R1495 IonicContact OD2-CZ 3.76Å; D1493-R1495 IonicContact OD2-NE 3.2Å; D1493-R1495 PolarHBondContact OD2-NE 2.97Å; D1493-R1495 IonicContact OD2-NH2 3.79Å; D1493-R1495 PolarHBondContact OD2-NH2 3.23Å; D1493-I1496 HydrophobicContact CB-CB 4.41Å; D1493-I1496 HydrophobicContact CB-CD1 3.61Å; D1493-I1496 HydrophobicContact CB-CG1 3.83Å; D1493-I1496 PolarHBondContact O-N 3.48Å |
| 1494 | L | 68.1 | Low | 59.5 | Low | 16 Ų | 16 | 96.9 Ų | 96.9 | 8% | 0.084 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -8.3 | 179.7 | -69.8 | 162.5 | 0 | 0 | 0 | 112.9 | N1482 L1485 C1487 L1492 V1523 A1531 | N1482-L1494 VanDerWaalsContact ND2-CD1 3.29Å; N1482-L1494 WeakPolarHBondContact ND2-CD1 3.48Å; L1485-L1494 PolarHBondContact O-N 3.39Å; C1487-L1494 HydrophobicContact CB-CD2 3.68Å; C1487-L1494 HydrophobicContact CB-CG 4.4Å; L1492-L1494 PolarHBondContact O-N 3.39Å; L1494-V1523 HydrophobicContact CB-CG2 4.22Å; L1494-V1523 HydrophobicContact CD1-CG1 4.26Å; L1494-V1523 HydrophobicContact CD2-CG1 3.84Å; L1494-V1523 HydrophobicContact CD2-CG2 4.13Å; L1494-V1523 HydrophobicContact CG-CG1 4.46Å; L1494-A1531 HydrophobicContact CD1-CB 3.51Å |
| 1495 | R | 62.8 | Low | 58.3 | Low | 168 Ų | 168 | 104.3 Ų | 104.3 | 63% | 0.634 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -15.1 | 173.1 | -58.4 | 172.6 | -72.8 | -174.1 | 1.4 | 113.4 | D1493 N1497 | D1493-R1495 PolarHBondContact O-N 2.98Å; D1493-R1495 WeakPolarHBondContact OD1-CB 3.42Å; D1493-R1495 VanDerWaalsContact OD1-CG 3.25Å; D1493-R1495 WeakPolarHBondContact OD1-CG 3.44Å; D1493-R1495 IonicContact OD1-CZ 3.64Å; D1493-R1495 PolarHBondContact OD1-N 2.99Å; D1493-R1495 IonicContact OD1-NE 2.86Å; D1493-R1495 PolarHBondContact OD1-NE 2.97Å; D1493-R1495 IonicContact OD1-NH2 3.63Å; D1493-R1495 IonicContact OD2-CZ 3.76Å; D1493-R1495 IonicContact OD2-NE 3.2Å; D1493-R1495 PolarHBondContact OD2-NE 2.97Å; D1493-R1495 IonicContact OD2-NH2 3.79Å; D1493-R1495 PolarHBondContact OD2-NH2 3.23Å; R1495-N1497 PolarHBondContact O-N 2.92Å |
| 1496 | I | 57.9 | Low | 56.5 | Low | 86 Ų | 86 | 109.2 Ų | 109.2 | 44% | 0.441 | 51% | 0.514 | S | S | . | . | trans | -94.9 | 98.7 | -175.6 | -62.3 | 171.6 | 0 | 0 | 0 | 109.7 | D1493 | D1493-I1496 HydrophobicContact CB-CB 4.41Å; D1493-I1496 HydrophobicContact CB-CD1 3.61Å; D1493-I1496 HydrophobicContact CB-CG1 3.83Å; D1493-I1496 PolarHBondContact O-N 3.48Å | ||
| 1497 | N | 50.6 | Low | 54.4 | Low | 116 Ų | 116 | 109.6 Ų | 109.6 | 62% | 0.62 | 53% | 0.528 | S | S | * | . | trans | -91.4 | 8.5 | -174.4 | -83 | -41.5 | 0 | 0 | 0 | 115.8 | R1495 | R1495-N1497 PolarHBondContact O-N 2.92Š| ||
| 1498 | N | 42.1 | Very low | 52 | Low | 136 Ų | 136 | 119.4 Ų | 119.4 | 73% | 0.727 | 57% | 0.571 | S | S | * | * | trans | -117.3 | 80.4 | -179.2 | -78.3 | -13 | 0 | 0 | 0 | 111.5 | L1500 | N1498-L1500 PolarHBondContact O-N 2.73Å; N1498-L1500 VanDerWaalsContact O-N 3.11Å | ||
| 1499 | L | 40.1 | Very low | 49.9 | Very low | 91 Ų | 91 | 128.5 Ų | 128.5 | 48% | 0.476 | 60% | 0.599 | S | S | . | * | trans | -77.4 | 78.2 | 158.1 | -89 | 162.8 | 0 | 0 | 0 | 108.9 | C1490 L1492 | C1490-L1499 HydrophobicContact CB-CD1 4.27Å; L1492-L1499 HydrophobicContact CD1-CD1 3.91Å; L1492-L1499 HydrophobicContact CD1-CD2 3.25Å; L1492-L1499 HydrophobicContact CD1-CG 3.41Å; L1492-L1499 VanDerWaalsContact CD1-CG 3.41Å | ||
| 1500 | L | 39.9 | Very low | 47.7 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 49% | 0.487 | 62% | 0.622 | S | S | . | * | trans | -102.4 | 106.6 | 152 | -86.6 | 146.6 | 0 | 0 | 0 | 106 | N1498 W1505 | N1498-L1500 PolarHBondContact O-N 2.73Å; N1498-L1500 VanDerWaalsContact O-N 3.11Å; L1500-W1505 HydrophobicContact CD1-CB 4.48Å; L1500-W1505 HydrophobicContact CD1-CG 3.85Å; L1500-W1505 HydrophobicContact CD2-CB 4.21Å; L1500-W1505 HydrophobicContact CD2-CG 4.28Å | ||
| 1501 | T | 43.2 | Very low | 45.5 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 63% | 0.626 | 64% | 0.642 | S | S | * | * | trans | -60.7 | 147.3 | 170.6 | 48.7 | 0 | 0 | 0 | 0 | 109.1 | R1503 | T1501-R1503 PolarHBondContact O-N 3.43Š| ||
| 1502 | R | 34.7 | Very low | 43.3 | Very low | 253 Ų | 253 | 139.2 Ų | 139.2 | 96% | 0.955 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | 17.5 | -161.1 | -171.4 | 170.2 | 162.1 | 174 | -3.9 | 117.8 | ||
| 1503 | R | 35.2 | Very low | 41.4 | Very low | 234 Ų | 234 | 143 Ų | 143 | 88% | 0.883 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.3 | -8.2 | -178.4 | -83.3 | -172.4 | 174.5 | 156.1 | -1.7 | 118.7 | T1501 | T1501-R1503 PolarHBondContact O-N 3.43Š|
| 1504 | D | 38.1 | Very low | 39.3 | Very low | 125 Ų | 125 | 147.9 Ų | 147.9 | 67% | 0.668 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -116.6 | 11.2 | -169.4 | -68.4 | -31.3 | 0 | 0 | 0 | 116.9 | ||
| 1505 | W | 37.7 | Very low | 37.4 | Very low | 205 Ų | 205 | 153.4 Ų | 153.4 | 78% | 0.777 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -93.7 | -7 | -178.1 | -154.2 | 65.2 | 0 | 0 | 0 | 115.9 | L1500 | L1500-W1505 HydrophobicContact CD1-CB 4.48Å; L1500-W1505 HydrophobicContact CD1-CG 3.85Å; L1500-W1505 HydrophobicContact CD2-CB 4.21Å; L1500-W1505 HydrophobicContact CD2-CG 4.28Å |
| 1506 | E | 32.3 | Very low | 35.8 | Very low | 201 Ų | 201 | 154.8 Ų | 154.8 | 94% | 0.939 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -85.6 | -1.6 | -178.4 | -76.1 | -175.1 | 156.6 | 0 | 0 | 115 | ||
| 1507 | A | 32.9 | Very low | 34.6 | Very low | 86 Ų | 86 | 155.7 Ų | 155.7 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -100.3 | -16.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 1508 | K | 32.8 | Very low | 33.7 | Very low | 207 Ų | 207 | 159 Ų | 159 | 90% | 0.9 | 77% | 0.766 | S | S | * | * | trans | -147.3 | 95.1 | -178.7 | -75.4 | -171.5 | 178.7 | 172.4 | 0 | 114.7 | ||||
| 1509 | R | 29.5 | Very low | 33.4 | Very low | 231 Ų | 231 | 158.3 Ų | 158.3 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | trans | -106.8 | 130.3 | 157.8 | -173.1 | 178.9 | 179.4 | 171.7 | 0 | 107 | ||||
| 1510 | M | 30.5 | Very low | 33.6 | Very low | 162 Ų | 162 | 156.2 Ų | 156.2 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | trans | 151.6 | 111 | 144.6 | -77 | -82.4 | -178.6 | 0 | 0 | 112.4 | ||||
| 1511 | V | 31 | Very low | 34.4 | Very low | 108 Ų | 108 | 159 Ų | 159 | 66% | 0.655 | 78% | 0.775 | S | S | * | * | trans | 61.5 | 107.5 | 138.2 | -170.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1512 | R | 27.8 | Very low | 35.3 | Very low | 216 Ų | 216 | 159.3 Ų | 159.3 | 82% | 0.815 | 77% | 0.765 | S | S | * | * | trans | 60.4 | 118 | 137.2 | -74 | -171.9 | -103.3 | -141.1 | -2.5 | 122 | ||||
| 1513 | N | 28.4 | Very low | 37.2 | Very low | 132 Ų | 132 | 148.5 Ų | 148.5 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | 112.4 | 128 | 124.6 | -80.8 | 16.4 | 0 | 0 | 0 | 117.7 | |||||
| 1514 | D | 28.8 | Very low | 39.1 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 74% | 0.738 | 69% | 0.688 | S | S | * | * | trans | 93.2 | 129.2 | 156.8 | -55.8 | -24.1 | 0 | 0 | 0 | 120.1 | ||||
| 1515 | D | 28.9 | Very low | 40.9 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 71% | 0.706 | 66% | 0.658 | S | S | * | * | trans | 87.5 | 101.1 | 159 | -61.9 | -31 | 0 | 0 | 0 | 121.3 | ||||
| 1516 | K | 28.9 | Very low | 42.8 | Very low | 196 Ų | 196 | 123.9 Ų | 123.9 | 85% | 0.852 | 63% | 0.627 | S | S | * | * | trans | 62.5 | 89.8 | 132.2 | -63.6 | 174.7 | -177.9 | 169.5 | 0 | 117.9 | ||||
| 1517 | A | 32.5 | Very low | 44.6 | Very low | 105 Ų | 105 | 119.7 Ų | 119.7 | 87% | 0.868 | 61% | 0.607 | S | S | * | * | trans | -172.4 | 87.3 | 132.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1518 | M | 32.9 | Very low | 46.8 | Very low | 187 Ų | 187 | 117.8 Ų | 117.8 | 92% | 0.921 | 59% | 0.588 | S | S | * | * | trans | -77.9 | 147.3 | 147.5 | -93.5 | -142.4 | -77.6 | 0 | 0 | 108.9 | ||||
| 1519 | S | 35.6 | Very low | 48.7 | Very low | 121 Ų | 121 | 110 Ų | 110 | 85% | 0.846 | 56% | 0.555 | S | S | * | * | trans | 105.8 | 128.9 | 168.8 | 79.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1520 | A | 44.4 | Very low | 51.1 | Low | 47 Ų | 47 | 101.4 Ų | 101.4 | 39% | 0.388 | 53% | 0.525 | S | S | . | . | cis | -153 | 146.6 | -5.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | R1522 | A1520-R1522 HydrophobicContact CB-CG 3.9Å; A1520-R1522 PolarHBondContact O-N 3.39Å | ||
| 1521 | K | 55.8 | Low | 53.6 | Low | 152 Ų | 152 | 93.7 Ų | 93.7 | 66% | 0.661 | 49% | 0.487 | S | S | * | . | trans | -80.1 | 88.8 | 175.1 | -63.5 | 166.6 | 178.7 | 174.6 | 0 | 108.3 | N1598 | K1521-N1598 WeakPolarHBondContact O-CB 3.45Š| ||
| 1522 | R | 63.1 | Low | 56 | Low | 107 Ų | 107 | 88.6 Ų | 88.6 | 40% | 0.404 | 46% | 0.455 | S | S | . | . | trans | -132.2 | 129.8 | -174.6 | -64 | 172.7 | 171.8 | -173.9 | -0.8 | 112.6 | A1520 E1534 L1600 | A1520-R1522 HydrophobicContact CB-CG 3.9Å; A1520-R1522 PolarHBondContact O-N 3.39Å; R1522-E1534 HydrophobicContact CB-CB 4.05Å; R1522-E1534 WeakPolarHBondContact CB-OE2 3.08Å; R1522-E1534 WeakPolarHBondContact CD-OE2 3.3Å; R1522-E1534 WeakPolarHBondContact O-CB 3.43Å; R1522-E1534 PolarHBondContact O-N 3.03Å; R1522-L1600 HydrophobicContact CG-CD1 4.35Å; R1522-L1600 VanDerWaalsContact NH1-CD1 3.32Å | ||
| 1523 | V | 73.5 | Confident | 58.7 | Low | 27 Ų | 27 | 79 Ų | 79 | 16% | 0.164 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 134.5 | 165.1 | 171.4 | 0 | 0 | 0 | 0 | 106.8 | L1494 V1525 A1531 F1532 | L1494-V1523 HydrophobicContact CB-CG2 4.22Å; L1494-V1523 HydrophobicContact CD1-CG1 4.26Å; L1494-V1523 HydrophobicContact CD2-CG1 3.84Å; L1494-V1523 HydrophobicContact CD2-CG2 4.13Å; L1494-V1523 HydrophobicContact CG-CG1 4.46Å; V1523-V1525 HydrophobicContact CG1-CG2 4.15Å; V1523-A1531 HydrophobicContact CG1-CB 4.25Å; V1523-F1532 WeakPolarHBondContact CA-O 3.44Å |
| 1524 | I | 76 | Confident | 61.2 | Low | 10 Ų | 10 | 73.4 Ų | 73.4 | 5% | 0.051 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 121.3 | -179.6 | -57.3 | -176.1 | 0 | 0 | 0 | 107.6 | F1526 A1531 F1532 E1534 L1537 W1554 | I1524-F1526 HydrophobicContact CG2-CD2 4.47Å; I1524-F1526 HydrophobicContact CG2-CE2 4Å; I1524-F1526 HydrophobicContact CG2-CZ 4.05Å; I1524-A1531 WeakPolarHBondContact O-CA 2.93Å; I1524-F1532 PolarHBondContact N-O 3.26Å; I1524-F1532 PolarHBondContact O-N 3.14Å; I1524-E1534 HydrophobicContact CD1-CB 4.18Å; I1524-E1534 HydrophobicContact CD1-CG 4.15Å; I1524-E1534 HydrophobicContact CG1-CB 4.36Å; I1524-L1537 HydrophobicContact CB-CD1 3.73Å; I1524-L1537 HydrophobicContact CD1-CD1 3.85Å; I1524-L1537 HydrophobicContact CG1-CD1 4.24Å; I1524-L1537 HydrophobicContact CG2-CD1 3.98Å; I1524-W1554 HydrophobicContact CD1-CD2 3.23Å; I1524-W1554 HydrophobicContact CD1-CE3 3.57Å; I1524-W1554 HydrophobicContact CD1-CG 3.7Å; I1524-W1554 HydrophobicContact CD1-CH2 3.8Å; I1524-W1554 HydrophobicContact CD1-CZ2 3.53Å; I1524-W1554 HydrophobicContact CD1-CZ3 3.84Å; I1524-W1554 HydrophobicContact CG2-CB 4.26Å; I1524-W1554 HydrophobicContact CG2-CG 4.32Å |
| 1525 | V | 76.6 | Confident | 63.5 | Low | 8 Ų | 8 | 74.9 Ų | 74.9 | 5% | 0.048 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 119 | -178.3 | -175.3 | 0 | 0 | 0 | 0 | 108.8 | V1523 A1531 I1599 | V1523-V1525 HydrophobicContact CG1-CG2 4.15Å; V1525-A1531 HydrophobicContact CG2-CB 4Å; V1525-I1599 HydrophobicContact CG2-CG2 4.25Å |
| 1526 | F | 77.6 | Confident | 65.9 | Low | 29 Ų | 29 | 69 Ų | 69 | 13% | 0.127 | 35% | 0.354 | C | S | . | . | trans | -88.9 | 157.8 | 179.7 | -70.8 | -82.4 | 0 | 0 | 0 | 112.6 | I1524 C1528 H1529 H1530 F1532 L1537 W1554 S1555 C1556 | I1524-F1526 HydrophobicContact CG2-CD2 4.47Å; I1524-F1526 HydrophobicContact CG2-CE2 4Å; I1524-F1526 HydrophobicContact CG2-CZ 4.05Å; F1526-C1528 WeakPolarHBondContact CB-SG 3.31Å; F1526-C1528 PolarHBondContact O-N 3.12Å; F1526-H1529 WeakPolarHBondContact O-CA 3.29Å; F1526-H1529 PolarHBondContact O-N 3.05Å; F1526-H1530 PolarHBondContact N-O 3.4Å; F1526-F1532 AromaticContact CD2-CD2 3.76Å; F1526-F1532 HydrophobicContact CD2-CD2 3.76Å; F1526-F1532 AromaticContact CD2-CE2 3.59Å; F1526-F1532 HydrophobicContact CD2-CE2 3.59Å; F1526-F1532 AromaticContact CE2-CD2 3.59Å; F1526-F1532 HydrophobicContact CE2-CD2 3.59Å; F1526-F1532 AromaticContact CE2-CE2 3.64Å; F1526-F1532 HydrophobicContact CE2-CE2 3.64Å; F1526-L1537 HydrophobicContact CE2-CD1 3.81Å; F1526-L1537 HydrophobicContact CE2-CD2 4.19Å; F1526-L1537 HydrophobicContact CZ-CD1 4.18Å; F1526-L1537 HydrophobicContact CZ-CD2 4.47Å; F1526-W1554 VanDerWaalsContact CE1-C 3.5Å; F1526-W1554 HydrophobicContact CE1-CB 3.87Å; F1526-W1554 WeakPolarHBondContact CE1-O 3Å; F1526-W1554 HydrophobicContact CZ-CB 3.65Å; F1526-S1555 VanDerWaalsContact CE1-C 3.47Å; F1526-S1555 WeakPolarHBondContact CZ-O 3.48Å; F1526-C1556 HydrophobicContact CB-CB 4.23Å; F1526-C1556 HydrophobicContact CD1-CB 4.06Å; F1526-C1556 HydrophobicContact CD2-CB 3.74Å; F1526-C1556 HydrophobicContact CE1-CB 4.35Å; F1526-C1556 HydrophobicContact CE2-CB 4Å; F1526-C1556 HydrophobicContact CG-CB 3.74Å; F1526-C1556 HydrophobicContact CZ-CB 4.31Å; F1526-C1556 VanDerWaalsContact CZ-N 3.28Å | ||
| 1527 | H | 69.3 | Low | 68.1 | Low | 112 Ų | 112 | 59.7 Ų | 59.7 | 52% | 0.519 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -19.6 | 171.1 | -61.4 | -41 | 0 | 0 | 0 | 114.3 | F1480 H1529 | F1480-H1527 AromaticContact CD1-ND1 3.7Å; F1480-H1527 AromaticContact CE1-CE1 3.23Å; F1480-H1527 WeakPolarHBondContact CE1-CE1 3.49Å; F1480-H1527 AromaticContact CE1-ND1 3.22Å; F1480-H1527 WeakPolarHBondContact CE1-ND1 3.49Å; F1480-H1527 AromaticContact CE2-CE1 3.76Å; F1480-H1527 AromaticContact CZ-CE1 3.04Å; F1480-H1527 WeakPolarHBondContact CZ-CE1 3.25Å; F1480-H1527 AromaticContact CZ-ND1 3.52Å; H1527-H1529 PolarHBondContact O-N 3.44Å |
| 1528 | C | 78.3 | Confident | 70.2 | Confident | 46 Ų | 46 | 61 Ų | 61 | 31% | 0.311 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 8.9 | 172.1 | 67.6 | 0 | 0 | 0 | 0 | 113.9 | F1526 H1530 C1556 C1559 | F1526-C1528 WeakPolarHBondContact CB-SG 3.31Å; F1526-C1528 PolarHBondContact O-N 3.12Å; C1528-H1530 VanDerWaalsContact C-N 3.28Å; C1528-H1530 PolarHBondContact O-N 3.46Å; C1528-H1530 PolarHBondContact SG-ND1 3.1Å; C1528-C1556 PolarHBondContact SG-SG 3.15Å; C1528-C1559 HydrophobicContact CB-CB 4.49Å; C1528-C1559 VanDerWaalsContact CB-SG 3.52Å |
| 1529 | H | 74 | Confident | 72.2 | Confident | 43 Ų | 43 | 58.3 Ų | 58.3 | 20% | 0.199 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 66.9 | 13.6 | -178.4 | -51.7 | -70.3 | 0 | 0 | 0 | 116.5 | S1481 R1483 F1526 H1527 | S1481-H1529 WeakPolarHBondContact O-CA 3.29Å; S1481-H1529 WeakPolarHBondContact O-CB 3.34Å; S1481-H1529 PolarHBondContact O-ND1 3.46Å; S1481-H1529 PolarHBondContact OG-CE1 3.02Å; S1481-H1529 VanDerWaalsContact OG-CE1 3.31Å; S1481-H1529 PolarHBondContact OG-ND1 3.44Å; S1481-H1529 VanDerWaalsContact OG-ND1 3.09Å; R1483-H1529 HydrophobicContact CG-CB 4.07Å; F1526-H1529 WeakPolarHBondContact O-CA 3.29Å; F1526-H1529 PolarHBondContact O-N 3.05Å; H1527-H1529 PolarHBondContact O-N 3.44Å |
| 1530 | H | 80.2 | Confident | 73.8 | Confident | 52 Ų | 52 | 56.3 Ų | 56.3 | 24% | 0.241 | 26% | 0.26 | C | S | . | . | trans | -91 | 135.5 | 172.9 | -66.5 | 119.2 | 0 | 0 | 0 | 110.4 | F1526 C1528 F1532 C1559 | F1526-H1530 PolarHBondContact N-O 3.4Å; C1528-H1530 VanDerWaalsContact C-N 3.28Å; C1528-H1530 PolarHBondContact O-N 3.46Å; C1528-H1530 PolarHBondContact SG-ND1 3.1Å; H1530-F1532 HydrophobicContact CB-CE2 3.64Å; H1530-F1532 HydrophobicContact CB-CZ 3.77Å; H1530-C1559 VanDerWaalsContact CE1-SG 3.59Å; H1530-C1559 PolarHBondContact ND1-SG 3.43Å; H1530-C1559 VanDerWaalsContact ND1-SG 3.39Å | ||
| 1531 | A | 81.3 | Confident | 74.9 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 138.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | N1482 S1488 L1494 V1523 I1524 V1525 | N1482-A1531 WeakPolarHBondContact ND2-CB 3.26Å; S1488-A1531 PolarHBondContact N-O 3.04Å; L1494-A1531 HydrophobicContact CD1-CB 3.51Å; V1523-A1531 HydrophobicContact CG1-CB 4.25Å; I1524-A1531 WeakPolarHBondContact O-CA 2.93Å; V1525-A1531 HydrophobicContact CG2-CB 4Å |
| 1532 | F | 82.4 | Confident | 75.4 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 149.3 | -176.1 | -51 | -87.7 | 0 | 0 | 0 | 111.1 | I1489 V1523 I1524 F1526 H1530 E1534 L1537 C1556 I1558 | I1489-F1532 HydrophobicContact CB-CD1 4.39Å; I1489-F1532 HydrophobicContact CD1-CB 4.41Å; I1489-F1532 HydrophobicContact CD1-CD1 3.33Å; I1489-F1532 HydrophobicContact CD1-CE1 3.8Å; I1489-F1532 HydrophobicContact CD1-CG 4.13Å; I1489-F1532 HydrophobicContact CG1-CD1 3.53Å; I1489-F1532 HydrophobicContact CG1-CE1 3.69Å; V1523-F1532 WeakPolarHBondContact CA-O 3.44Å; I1524-F1532 PolarHBondContact N-O 3.26Å; I1524-F1532 PolarHBondContact O-N 3.14Å; F1526-F1532 AromaticContact CD2-CD2 3.76Å; F1526-F1532 HydrophobicContact CD2-CD2 3.76Å; F1526-F1532 AromaticContact CD2-CE2 3.59Å; F1526-F1532 HydrophobicContact CD2-CE2 3.59Å; F1526-F1532 AromaticContact CE2-CD2 3.59Å; F1526-F1532 HydrophobicContact CE2-CD2 3.59Å; F1526-F1532 AromaticContact CE2-CE2 3.64Å; F1526-F1532 HydrophobicContact CE2-CE2 3.64Å; H1530-F1532 HydrophobicContact CB-CE2 3.64Å; H1530-F1532 HydrophobicContact CB-CZ 3.77Å; F1532-E1534 PolarHBondContact O-N 2.9Å; F1532-L1537 HydrophobicContact CB-CD1 3.57Å; F1532-L1537 HydrophobicContact CB-CD2 4.39Å; F1532-L1537 HydrophobicContact CB-CG 3.61Å; F1532-L1537 HydrophobicContact CD2-CD1 3.86Å; F1532-L1537 HydrophobicContact CD2-CD2 4.03Å; F1532-L1537 HydrophobicContact CD2-CG 4.09Å; F1532-L1537 HydrophobicContact CE2-CD2 4.43Å; F1532-L1537 HydrophobicContact CG-CD1 3.98Å; F1532-L1537 HydrophobicContact CG-CD2 4.11Å; F1532-L1537 HydrophobicContact CG-CG 3.88Å; F1532-C1556 HydrophobicContact CE2-CB 4.46Å; F1532-I1558 HydrophobicContact CE1-CD1 3.88Å; F1532-I1558 HydrophobicContact CE1-CG1 4.2Å; F1532-I1558 HydrophobicContact CZ-CD1 3.85Å; F1532-I1558 HydrophobicContact CZ-CG1 4Å |
| 1533 | H | 84.4 | Confident | 75.3 | Confident | 16 Ų | 16 | 52.5 Ų | 52.5 | 7% | 0.074 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 137.1 | 162.6 | -60.2 | 116.2 | 0 | 0 | 0 | 108.9 | C1490 R1535 C1536 L1537 | C1490-H1533 PolarHBondContact SG-ND1 2.89Å; C1490-H1533 VanDerWaalsContact SG-ND1 3.38Å; H1533-R1535 PolarHBondContact O-N 3.43Å; H1533-R1535 VanDerWaalsContact O-N 3.12Å; H1533-C1536 HydrophobicContact CB-CB 4.18Å; H1533-C1536 PolarHBondContact O-N 2.81Å; H1533-L1537 PolarHBondContact O-N 3.26Å |
| 1534 | E | 81.3 | Confident | 74.5 | Confident | 14 Ų | 14 | 55.3 Ų | 55.3 | 7% | 0.065 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -51.2 | -38.7 | 174.2 | 178.9 | 177.6 | -163.3 | 0 | 0 | 110.8 | R1522 I1524 F1532 L1537 R1538 W1554 | R1522-E1534 HydrophobicContact CB-CB 4.05Å; R1522-E1534 WeakPolarHBondContact CB-OE2 3.08Å; R1522-E1534 WeakPolarHBondContact CD-OE2 3.3Å; R1522-E1534 WeakPolarHBondContact O-CB 3.43Å; R1522-E1534 PolarHBondContact O-N 3.03Å; I1524-E1534 HydrophobicContact CD1-CB 4.18Å; I1524-E1534 HydrophobicContact CD1-CG 4.15Å; I1524-E1534 HydrophobicContact CG1-CB 4.36Å; F1532-E1534 PolarHBondContact O-N 2.9Å; E1534-L1537 PolarHBondContact O-N 3.43Å; E1534-R1538 WeakPolarHBondContact O-CG 3.35Å; E1534-R1538 PolarHBondContact O-N 3.09Å; E1534-R1538 IonicContact OE1-CZ 3.34Å; E1534-R1538 IonicContact OE1-NE 3.35Å; E1534-R1538 PolarHBondContact OE1-NE 3.29Å; E1534-R1538 IonicContact OE1-NH2 2.68Å; E1534-R1538 PolarHBondContact OE1-NH2 3.37Å; E1534-W1554 HydrophobicContact CG-CH2 3.59Å; E1534-W1554 HydrophobicContact CG-CZ2 3.83Å |
| 1535 | R | 77.2 | Confident | 73.4 | Confident | 169 Ų | 169 | 59.5 Ų | 59.5 | 64% | 0.638 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -60.8 | -46.5 | 175.2 | -175.4 | 177.1 | 176.9 | 165.4 | 1.3 | 113.2 | H1533 L1537 R1538 E1539 | H1533-R1535 PolarHBondContact O-N 3.43Å; H1533-R1535 VanDerWaalsContact O-N 3.12Å; R1535-L1537 VanDerWaalsContact C-N 3.29Å; R1535-L1537 PolarHBondContact O-N 2.71Å; R1535-R1538 PolarHBondContact O-N 2.85Å; R1535-E1539 IonicContact CZ-OE1 3.89Å; R1535-E1539 IonicContact NE-OE1 3.09Å; R1535-E1539 PolarHBondContact NE-OE1 3.33Å; R1535-E1539 VanDerWaalsContact NE-OE1 3.09Å; R1535-E1539 IonicContact NH2-OE1 3.76Å; R1535-E1539 PolarHBondContact O-N 3.28Å |
| 1536 | C | 78 | Confident | 71.9 | Confident | 8 Ų | 8 | 62.9 Ų | 62.9 | 5% | 0.054 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.3 | -35 | -179.9 | -65.8 | 0 | 0 | 0 | 0 | 112 | I1489 H1533 L1540 | I1489-C1536 HydrophobicContact CB-CB 4.03Å; I1489-C1536 HydrophobicContact CD1-CB 3.74Å; I1489-C1536 HydrophobicContact CG2-CB 4.08Å; H1533-C1536 HydrophobicContact CB-CB 4.18Å; H1533-C1536 PolarHBondContact O-N 2.81Å; C1536-L1540 PolarHBondContact O-N 3.29Å |
| 1537 | L | 75.9 | Confident | 70.4 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -74.9 | -34.7 | 175 | -80 | 164.2 | 0 | 0 | 0 | 113.3 | I1489 I1524 F1526 F1532 H1533 E1534 R1535 E1539 L1540 Q1541 C1542 W1554 | I1489-L1537 HydrophobicContact CD1-CD2 4.48Å; I1524-L1537 HydrophobicContact CB-CD1 3.73Å; I1524-L1537 HydrophobicContact CD1-CD1 3.85Å; I1524-L1537 HydrophobicContact CG1-CD1 4.24Å; I1524-L1537 HydrophobicContact CG2-CD1 3.98Å; F1526-L1537 HydrophobicContact CE2-CD1 3.81Å; F1526-L1537 HydrophobicContact CE2-CD2 4.19Å; F1526-L1537 HydrophobicContact CZ-CD1 4.18Å; F1526-L1537 HydrophobicContact CZ-CD2 4.47Å; F1532-L1537 HydrophobicContact CB-CD1 3.57Å; F1532-L1537 HydrophobicContact CB-CD2 4.39Å; F1532-L1537 HydrophobicContact CB-CG 3.61Å; F1532-L1537 HydrophobicContact CD2-CD1 3.86Å; F1532-L1537 HydrophobicContact CD2-CD2 4.03Å; F1532-L1537 HydrophobicContact CD2-CG 4.09Å; F1532-L1537 HydrophobicContact CE2-CD2 4.43Å; F1532-L1537 HydrophobicContact CG-CD1 3.98Å; F1532-L1537 HydrophobicContact CG-CD2 4.11Å; F1532-L1537 HydrophobicContact CG-CG 3.88Å; H1533-L1537 PolarHBondContact O-N 3.26Å; E1534-L1537 PolarHBondContact O-N 3.43Å; R1535-L1537 VanDerWaalsContact C-N 3.29Å; R1535-L1537 PolarHBondContact O-N 2.71Å; L1537-E1539 VanDerWaalsContact C-N 3.35Å; L1537-L1540 PolarHBondContact O-N 3.43Å; L1537-Q1541 PolarHBondContact O-N 3.43Å; L1537-C1542 HydrophobicContact CD2-CB 3.84Å; L1537-C1542 PolarHBondContact O-N 3.13Å; L1537-W1554 HydrophobicContact CB-CE3 3.7Å; L1537-W1554 HydrophobicContact CB-CZ3 3.51Å; L1537-W1554 HydrophobicContact CD1-CE3 4.06Å; L1537-W1554 HydrophobicContact CD1-CZ3 4.5Å; L1537-W1554 HydrophobicContact CG-CE3 4.45Å |
| 1538 | R | 77.2 | Confident | 69 | Low | 133 Ų | 133 | 67.3 Ų | 67.3 | 50% | 0.502 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 174.3 | -72.7 | -173.3 | -172.5 | -179.1 | -0.1 | 111.7 | E1534 R1535 L1540 Q1541 W1554 | E1534-R1538 WeakPolarHBondContact O-CG 3.35Å; E1534-R1538 PolarHBondContact O-N 3.09Å; E1534-R1538 IonicContact OE1-CZ 3.34Å; E1534-R1538 IonicContact OE1-NE 3.35Å; E1534-R1538 PolarHBondContact OE1-NE 3.29Å; E1534-R1538 IonicContact OE1-NH2 2.68Å; E1534-R1538 PolarHBondContact OE1-NH2 3.37Å; R1535-R1538 PolarHBondContact O-N 2.85Å; R1538-L1540 PolarHBondContact O-N 3.2Å; R1538-Q1541 PolarHBondContact O-N 2.97Å; R1538-Q1541 VanDerWaalsContact O-N 3.08Å; R1538-W1554 HydrophobicContact CG-CH2 3.49Å; R1538-W1554 VanDerWaalsContact CG-CH2 3.49Å; R1538-W1554 HydrophobicContact CG-CZ3 3.88Å |
| 1539 | E | 74.5 | Confident | 67.2 | Low | 131 Ų | 131 | 68.9 Ų | 68.9 | 61% | 0.612 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.6 | -25.8 | 177.8 | -74.5 | 177.3 | -171.2 | 0 | 0 | 112.2 | R1535 L1537 | R1535-E1539 IonicContact CZ-OE1 3.89Å; R1535-E1539 IonicContact NE-OE1 3.09Å; R1535-E1539 PolarHBondContact NE-OE1 3.33Å; R1535-E1539 VanDerWaalsContact NE-OE1 3.09Å; R1535-E1539 IonicContact NH2-OE1 3.76Å; R1535-E1539 PolarHBondContact O-N 3.28Å; L1537-E1539 VanDerWaalsContact C-N 3.35Å |
| 1540 | L | 68.7 | Low | 66 | Low | 78 Ų | 78 | 74 Ų | 74 | 41% | 0.408 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 11.4 | 174 | -69 | 178.4 | 0 | 0 | 0 | 114.7 | I1489 C1536 L1537 R1538 C1542 | I1489-L1540 HydrophobicContact CD1-CD1 3.36Å; I1489-L1540 HydrophobicContact CD1-CG 4.38Å; I1489-L1540 HydrophobicContact CG1-CD1 3.77Å; I1489-L1540 HydrophobicContact CG2-CD1 4.35Å; C1536-L1540 PolarHBondContact O-N 3.29Å; L1537-L1540 PolarHBondContact O-N 3.43Å; R1538-L1540 PolarHBondContact O-N 3.2Å; L1540-C1542 PolarHBondContact O-N 3.15Å; L1540-C1542 PolarHBondContact O-SG 3.39Å; L1540-C1542 VanDerWaalsContact O-SG 3.38Å |
| 1541 | Q | 68.6 | Low | 64.5 | Low | 172 Ų | 172 | 75.5 Ų | 75.5 | 80% | 0.804 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 26.3 | -178.4 | -59.8 | -175.1 | -8.2 | 0 | 0 | 114.6 | L1537 R1538 K1543 | L1537-Q1541 PolarHBondContact O-N 3.43Å; R1538-Q1541 PolarHBondContact O-N 2.97Å; R1538-Q1541 VanDerWaalsContact O-N 3.08Å; Q1541-K1543 PolarHBondContact O-N 3.12Å |
| 1542 | C | 64.6 | Low | 63.4 | Low | 3 Ų | 3 | 80 Ų | 80 | 2% | 0.02 | 43% | 0.429 | C | S | . | . | trans | -80.3 | 18.9 | -177.8 | -69.1 | 0 | 0 | 0 | 0 | 113.6 | L1537 L1540 W1554 S1555 | L1537-C1542 HydrophobicContact CD2-CB 3.84Å; L1537-C1542 PolarHBondContact O-N 3.13Å; L1540-C1542 PolarHBondContact O-N 3.15Å; L1540-C1542 PolarHBondContact O-SG 3.39Å; L1540-C1542 VanDerWaalsContact O-SG 3.38Å; C1542-W1554 WeakPolarHBondContact O-CA 3.25Å; C1542-S1555 WeakPolarHBondContact CB-O 3.41Å; C1542-S1555 PolarHBondContact O-N 2.7Å; C1542-S1555 VanDerWaalsContact O-N 3.1Å; C1542-S1555 PolarHBondContact O-OG 3.43Å | ||
| 1543 | K | 61.1 | Low | 62.5 | Low | 52 Ų | 52 | 85.8 Ų | 85.8 | 23% | 0.226 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 118.9 | -177.7 | -171.7 | -171.5 | -174.4 | -132.6 | 0 | 108.7 | Q1541 D1545 H1552 W1554 | Q1541-K1543 PolarHBondContact O-N 3.12Å; K1543-D1545 WeakPolarHBondContact CE-OD1 3.48Å; K1543-D1545 VanDerWaalsContact NZ-CG 3.29Å; K1543-D1545 IonicContact NZ-OD1 2.73Å; K1543-D1545 PolarHBondContact NZ-OD1 3.45Å; K1543-D1545 IonicContact NZ-OD2 3.86Å; K1543-D1545 PolarHBondContact NZ-OD2 3.31Å; K1543-H1552 VanDerWaalsContact CE-CG 3.46Å; K1543-H1552 WeakPolarHBondContact CE-ND1 3.49Å; K1543-H1552 PolarHBondContact NZ-CE1 3.02Å; K1543-H1552 PolarHBondContact NZ-ND1 3.16Å; K1543-H1552 VanDerWaalsContact NZ-ND1 3.19Å; K1543-W1554 HydrophobicContact CB-CE3 4.1Å; K1543-W1554 HydrophobicContact CB-CH2 4.34Å; K1543-W1554 HydrophobicContact CB-CZ3 4Å; K1543-W1554 HydrophobicContact CD-CH2 4.03Å; K1543-W1554 HydrophobicContact CD-CZ2 4.03Å; K1543-W1554 HydrophobicContact CG-CD2 4.46Å; K1543-W1554 HydrophobicContact CG-CE3 4.46Å; K1543-W1554 HydrophobicContact CG-CH2 4.29Å; K1543-W1554 HydrophobicContact CG-CZ2 4.25Å; K1543-W1554 HydrophobicContact CG-CZ3 4.39Å |
| 1544 | T | 57.1 | Low | 61.9 | Low | 86 Ų | 86 | 87.5 Ų | 87.5 | 53% | 0.528 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 112.3 | 173 | 52.2 | 0 | 0 | 0 | 0 | 109 | F1553 | T1544-F1553 PolarHBondContact N-O 3.18Å; T1544-F1553 WeakPolarHBondContact OG1-CB 3.1Å; T1544-F1553 PolarHBondContact OG1-O 3.29Å |
| 1545 | D | 53.1 | Low | 61.5 | Low | 97 Ų | 97 | 88.5 Ų | 88.5 | 52% | 0.519 | 47% | 0.469 | S | S | . | . | trans | -97.4 | 118.3 | 173.8 | -70.3 | -33.6 | 0 | 0 | 0 | 107.9 | K1543 H1552 | K1543-D1545 WeakPolarHBondContact CE-OD1 3.48Å; K1543-D1545 VanDerWaalsContact NZ-CG 3.29Å; K1543-D1545 IonicContact NZ-OD1 2.73Å; K1543-D1545 PolarHBondContact NZ-OD1 3.45Å; K1543-D1545 IonicContact NZ-OD2 3.86Å; K1543-D1545 PolarHBondContact NZ-OD2 3.31Å; D1545-H1552 IonicContact OD1-CE1 2.65Å; D1545-H1552 IonicContact OD1-CG 3.51Å; D1545-H1552 IonicContact OD1-ND1 3.42Å; D1545-H1552 PolarHBondContact OD1-ND1 3.4Å | ||
| 1546 | T | 45.7 | Very low | 61.8 | Low | 80 Ų | 80 | 81 Ų | 81 | 49% | 0.491 | 44% | 0.442 | S | S | . | . | trans | -93.8 | 144.1 | 169.9 | 55.6 | 0 | 0 | 0 | 0 | 109.2 | A1548 | T1546-A1548 PolarHBondContact O-N 3.14Š| ||
| 1547 | P | 45.4 | Very low | 61.4 | Low | 147 Ų | 147 | 81.7 Ų | 81.7 | 96% | 0.955 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -72.2 | 9.1 | -168.4 | 25.6 | -32.2 | 0 | 0 | 0 | 115.7 | ||
| 1548 | A | 40.6 | Very low | 61.2 | Low | 87 Ų | 87 | 85.4 Ų | 85.4 | 72% | 0.719 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -152.6 | 69.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T1546 | T1546-A1548 PolarHBondContact O-N 3.14Š|
| 1549 | S | 39.2 | Very low | 61.1 | Low | 78 Ų | 78 | 82.3 Ų | 82.3 | 55% | 0.545 | 46% | 0.464 | S | S | . | . | trans | 170.2 | 153.3 | 149.4 | 49.8 | 0 | 0 | 0 | 0 | 110.8 | V1551 | S1549-V1551 PolarHBondContact O-N 2.69Š| ||
| 1550 | V | 49.3 | Very low | 60.5 | Low | 150 Ų | 150 | 85.4 Ų | 85.4 | 91% | 0.909 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -73.1 | 22.7 | -173.6 | -175.3 | 0 | 0 | 0 | 0 | 113 | ||
| 1551 | V | 48.6 | Very low | 59.8 | Low | 84 Ų | 84 | 86 Ų | 86 | 51% | 0.509 | 48% | 0.479 | S | S | . | . | trans | -116.2 | 109.4 | -173.1 | -172.5 | 0 | 0 | 0 | 0 | 110.1 | S1549 F1553 | S1549-V1551 PolarHBondContact O-N 2.69Å; V1551-F1553 HydrophobicContact CG1-CE2 4.26Å; V1551-F1553 HydrophobicContact CG1-CZ 4.46Å | ||
| 1552 | H | 58.7 | Low | 58.7 | Low | 94 Ų | 94 | 83.1 Ų | 83.1 | 44% | 0.435 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -80 | 121 | 174.7 | -63.8 | -54.4 | 0 | 0 | 0 | 110.4 | K1543 D1545 | K1543-H1552 VanDerWaalsContact CE-CG 3.46Å; K1543-H1552 WeakPolarHBondContact CE-ND1 3.49Å; K1543-H1552 PolarHBondContact NZ-CE1 3.02Å; K1543-H1552 PolarHBondContact NZ-ND1 3.16Å; K1543-H1552 VanDerWaalsContact NZ-ND1 3.19Å; D1545-H1552 IonicContact OD1-CE1 2.65Å; D1545-H1552 IonicContact OD1-CG 3.51Å; D1545-H1552 IonicContact OD1-ND1 3.42Å; D1545-H1552 PolarHBondContact OD1-ND1 3.4Å |
| 1553 | F | 63.1 | Low | 57.1 | Low | 122 Ų | 122 | 87.2 Ų | 87.2 | 54% | 0.535 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 117.1 | 173.9 | -77.2 | -85.3 | 0 | 0 | 0 | 110.5 | T1544 V1551 | T1544-F1553 PolarHBondContact N-O 3.18Å; T1544-F1553 WeakPolarHBondContact OG1-CB 3.1Å; T1544-F1553 PolarHBondContact OG1-O 3.29Å; V1551-F1553 HydrophobicContact CG1-CE2 4.26Å; V1551-F1553 HydrophobicContact CG1-CZ 4.46Å |
| 1554 | W | 72.3 | Confident | 55.6 | Low | 52 Ų | 52 | 95.3 Ų | 95.3 | 20% | 0.197 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 147.5 | 173.5 | -60.3 | 89.1 | 0 | 0 | 0 | 109.8 | I1524 F1526 E1534 L1537 R1538 C1542 K1543 | I1524-W1554 HydrophobicContact CD1-CD2 3.23Å; I1524-W1554 HydrophobicContact CD1-CE3 3.57Å; I1524-W1554 HydrophobicContact CD1-CG 3.7Å; I1524-W1554 HydrophobicContact CD1-CH2 3.8Å; I1524-W1554 HydrophobicContact CD1-CZ2 3.53Å; I1524-W1554 HydrophobicContact CD1-CZ3 3.84Å; I1524-W1554 HydrophobicContact CG2-CB 4.26Å; I1524-W1554 HydrophobicContact CG2-CG 4.32Å; F1526-W1554 VanDerWaalsContact CE1-C 3.5Å; F1526-W1554 HydrophobicContact CE1-CB 3.87Å; F1526-W1554 WeakPolarHBondContact CE1-O 3Å; F1526-W1554 HydrophobicContact CZ-CB 3.65Å; E1534-W1554 HydrophobicContact CG-CH2 3.59Å; E1534-W1554 HydrophobicContact CG-CZ2 3.83Å; L1537-W1554 HydrophobicContact CB-CE3 3.7Å; L1537-W1554 HydrophobicContact CB-CZ3 3.51Å; L1537-W1554 HydrophobicContact CD1-CE3 4.06Å; L1537-W1554 HydrophobicContact CD1-CZ3 4.5Å; L1537-W1554 HydrophobicContact CG-CE3 4.45Å; R1538-W1554 HydrophobicContact CG-CH2 3.49Å; R1538-W1554 VanDerWaalsContact CG-CH2 3.49Å; R1538-W1554 HydrophobicContact CG-CZ3 3.88Å; C1542-W1554 WeakPolarHBondContact O-CA 3.25Å; K1543-W1554 HydrophobicContact CB-CE3 4.1Å; K1543-W1554 HydrophobicContact CB-CH2 4.34Å; K1543-W1554 HydrophobicContact CB-CZ3 4Å; K1543-W1554 HydrophobicContact CD-CH2 4.03Å; K1543-W1554 HydrophobicContact CD-CZ2 4.03Å; K1543-W1554 HydrophobicContact CG-CD2 4.46Å; K1543-W1554 HydrophobicContact CG-CE3 4.46Å; K1543-W1554 HydrophobicContact CG-CH2 4.29Å; K1543-W1554 HydrophobicContact CG-CZ2 4.25Å; K1543-W1554 HydrophobicContact CG-CZ3 4.39Å |
| 1555 | S | 73.1 | Confident | 54.4 | Low | 36 Ų | 36 | 96.7 Ų | 96.7 | 25% | 0.252 | 54% | 0.543 | S | S | . | . | trans | -123.2 | 138.5 | 172 | 57 | 0 | 0 | 0 | 0 | 111.3 | F1526 C1542 S1557 | F1526-S1555 VanDerWaalsContact CE1-C 3.47Å; F1526-S1555 WeakPolarHBondContact CZ-O 3.48Å; C1542-S1555 WeakPolarHBondContact CB-O 3.41Å; C1542-S1555 PolarHBondContact O-N 2.7Å; C1542-S1555 VanDerWaalsContact O-N 3.1Å; C1542-S1555 PolarHBondContact O-OG 3.43Å; S1555-S1557 PolarHBondContact O-N 3.22Å | ||
| 1556 | C | 82.1 | Confident | 53.1 | Low | 10 Ų | 10 | 97 Ų | 97 | 7% | 0.068 | 56% | 0.559 | C | S | . | * | trans | -68.8 | 115 | 176.8 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | F1526 C1528 F1532 I1558 C1559 R1560 | F1526-C1556 HydrophobicContact CB-CB 4.23Å; F1526-C1556 HydrophobicContact CD1-CB 4.06Å; F1526-C1556 HydrophobicContact CD2-CB 3.74Å; F1526-C1556 HydrophobicContact CE1-CB 4.35Å; F1526-C1556 HydrophobicContact CE2-CB 4Å; F1526-C1556 HydrophobicContact CG-CB 3.74Å; F1526-C1556 HydrophobicContact CZ-CB 4.31Å; F1526-C1556 VanDerWaalsContact CZ-N 3.28Å; C1528-C1556 PolarHBondContact SG-SG 3.15Å; F1532-C1556 HydrophobicContact CE2-CB 4.46Å; C1556-I1558 PolarHBondContact O-N 3.08Å; C1556-C1559 HydrophobicContact CB-CB 4.19Å; C1556-C1559 PolarHBondContact O-N 3.3Å; C1556-C1559 PolarHBondContact SG-N 3.12Å; C1556-R1560 PolarHBondContact O-N 3.22Å | ||
| 1557 | S | 71.2 | Confident | 52.3 | Low | 23 Ų | 23 | 99.8 Ų | 99.8 | 16% | 0.161 | 58% | 0.576 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -63.9 | -22.5 | -179.1 | 56.7 | 0 | 0 | 0 | 0 | 113.9 | S1555 P1561 | S1555-S1557 PolarHBondContact O-N 3.22Å; S1557-P1561 WeakPolarHBondContact O-CA 3.3Å |
| 1558 | I | 71.6 | Confident | 51.4 | Low | 78 Ų | 78 | 101.8 Ų | 101.8 | 40% | 0.4 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.5 | -42.5 | 178.5 | -62.1 | 175 | 0 | 0 | 0 | 111.2 | F1532 C1556 | F1532-I1558 HydrophobicContact CE1-CD1 3.88Å; F1532-I1558 HydrophobicContact CE1-CG1 4.2Å; F1532-I1558 HydrophobicContact CZ-CD1 3.85Å; F1532-I1558 HydrophobicContact CZ-CG1 4Å; C1556-I1558 PolarHBondContact O-N 3.08Å |
| 1559 | C | 73.6 | Confident | 50.8 | Low | 68 Ų | 68 | 103.4 Ų | 103.4 | 46% | 0.459 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.4 | -22.3 | -176.6 | -62.7 | 0 | 0 | 0 | 0 | 113.3 | C1528 H1530 C1556 | C1528-C1559 HydrophobicContact CB-CB 4.49Å; C1528-C1559 VanDerWaalsContact CB-SG 3.52Å; H1530-C1559 VanDerWaalsContact CE1-SG 3.59Å; H1530-C1559 PolarHBondContact ND1-SG 3.43Å; H1530-C1559 VanDerWaalsContact ND1-SG 3.39Å; C1556-C1559 HydrophobicContact CB-CB 4.19Å; C1556-C1559 PolarHBondContact O-N 3.3Å; C1556-C1559 PolarHBondContact SG-N 3.12Å |
| 1560 | R | 62.6 | Low | 50.2 | Low | 196 Ų | 196 | 107.5 Ų | 107.5 | 74% | 0.74 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -135.2 | 77.8 | 172.5 | -75.9 | -172.7 | 178 | 175.8 | 0.5 | 109.3 | C1556 T1562 | C1556-R1560 PolarHBondContact O-N 3.22Å; R1560-T1562 PolarHBondContact O-N 3.19Å |
| 1561 | P | 53.8 | Low | 49 | Very low | 91 Ų | 91 | 105.7 Ų | 105.7 | 59% | 0.591 | 58% | 0.579 | S | S | * | * | trans | -62.2 | 119.4 | 171.6 | 24.5 | -30.7 | 0 | 0 | 0 | 108.7 | S1557 S1563 | S1557-P1561 WeakPolarHBondContact O-CA 3.3Å; P1561-S1563 VanDerWaalsContact C-N 3.34Å; P1561-S1563 PolarHBondContact O-N 3.04Å | ||
| 1562 | T | 45 | Very low | 48.1 | Very low | 112 Ų | 112 | 110.3 Ų | 110.3 | 69% | 0.687 | 60% | 0.6 | S | S | * | * | trans | -69.8 | 89.8 | 177.3 | 42.7 | 0 | 0 | 0 | 0 | 109.9 | R1560 | R1560-T1562 PolarHBondContact O-N 3.19Š| ||
| 1563 | S | 31.9 | Very low | 46.5 | Very low | 88 Ų | 88 | 112.9 Ų | 112.9 | 62% | 0.615 | 61% | 0.612 | S | S | * | * | trans | -142.3 | 98.1 | 162.4 | 59.6 | 0 | 0 | 0 | 0 | 108.6 | P1561 | P1561-S1563 VanDerWaalsContact C-N 3.34Å; P1561-S1563 PolarHBondContact O-N 3.04Å | ||
| 1564 | Y | 30.2 | Very low | 44.7 | Very low | 223 Ų | 223 | 114.5 Ų | 114.5 | 88% | 0.875 | 63% | 0.626 | S | S | * | * | trans | 166.8 | 130.6 | 142.4 | -90.1 | -69.5 | 0 | 0 | 0 | 108.7 | ||||
| 1565 | P | 30.8 | Very low | 42.4 | Very low | 115 Ų | 115 | 117.8 Ų | 117.8 | 75% | 0.747 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 146.4 | -179.6 | 31 | -31.9 | 0 | 0 | 0 | 111 | V1567 | P1565-V1567 PolarHBondContact O-N 2.98Š|
| 1566 | A | 26.9 | Very low | 40.3 | Very low | 104 Ų | 104 | 122.6 Ų | 122.6 | 86% | 0.86 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 117.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 1567 | V | 28.1 | Very low | 37.7 | Very low | 137 Ų | 137 | 128.8 Ų | 128.8 | 83% | 0.83 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 116.6 | 159.9 | 176.3 | 0 | 0 | 0 | 0 | 107.6 | P1565 T1569 | P1565-V1567 PolarHBondContact O-N 2.98Å; V1567-T1569 PolarHBondContact O-N 3.38Å |
| 1568 | K | 26.3 | Very low | 35.5 | Very low | 189 Ų | 189 | 136.6 Ų | 136.6 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 116.9 | 174.7 | -70.1 | 175.8 | 175.1 | 179.3 | 0 | 110.2 | ||
| 1569 | T | 28.3 | Very low | 33.3 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 117.9 | 156.7 | 48.8 | 0 | 0 | 0 | 0 | 108.2 | V1567 C1571 | V1567-T1569 PolarHBondContact O-N 3.38Å; T1569-C1571 PolarHBondContact O-N 3.28Å |
| 1570 | N | 26.4 | Very low | 31.1 | Very low | 164 Ų | 164 | 142.4 Ų | 142.4 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 117.8 | 172.7 | -78.6 | -18.9 | 0 | 0 | 0 | 109.7 | ||
| 1571 | C | 25.3 | Very low | 29.2 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 75% | 0.75 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 132.5 | 159.3 | -63.7 | 0 | 0 | 0 | 0 | 108.2 | T1569 | T1569-C1571 PolarHBondContact O-N 3.28Š|
| 1572 | L | 28 | Very low | 27.9 | Very low | 181 Ų | 181 | 145.4 Ų | 145.4 | 95% | 0.948 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 127.2 | 152.3 | -86 | 161.3 | 0 | 0 | 0 | 107.4 | ||
| 1573 | H | 25.4 | Very low | 26.9 | Very low | 148 Ų | 148 | 147.8 Ų | 147.8 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 147.1 | 174.3 | -94.1 | -73.6 | 0 | 0 | 0 | 111.7 | D1575 | H1573-D1575 IonicContact ND1-OD1 3.52Š|
| 1574 | D | 26.7 | Very low | 26.7 | Very low | 157 Ų | 157 | 151.6 Ų | 151.6 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | -172.3 | 99.5 | 122.7 | -92.4 | -16.4 | 0 | 0 | 0 | 105.9 | |||||
| 1575 | D | 24.3 | Very low | 26.4 | Very low | 120 Ų | 120 | 148.9 Ų | 148.9 | 64% | 0.642 | 79% | 0.791 | S | S | * | * | 57.1 | 130.8 | 81.8 | -81.7 | -1.8 | 0 | 0 | 0 | 115.6 | H1573 | H1573-D1575 IonicContact ND1-OD1 3.52Š| |||
| 1576 | T | 27 | Very low | 26.2 | Very low | 138 Ų | 138 | 151.3 Ų | 151.3 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | trans | 87.9 | 122.8 | 179.3 | 75.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1577 | V | 28.7 | Very low | 26.3 | Very low | 139 Ų | 139 | 152.2 Ų | 152.2 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | cis | -148.7 | 138.5 | 32.9 | 168.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1578 | K | 24.5 | Very low | 26.4 | Very low | 187 Ų | 187 | 152.5 Ų | 152.5 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -72 | 159.9 | 170.4 | -79.2 | 171 | 171.2 | 171.7 | 0 | 112.8 | ||||
| 1579 | S | 25.8 | Very low | 26.8 | Very low | 101 Ų | 101 | 148.6 Ų | 148.6 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | 70.1 | 107.8 | 147 | 62.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 1580 | H | 26.9 | Very low | 26.7 | Very low | 167 Ų | 167 | 150 Ų | 150 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | -166.9 | 110.1 | 103.5 | -105.1 | -44.7 | 0 | 0 | 0 | 109.9 | |||||
| 1581 | W | 23.9 | Very low | 26.8 | Very low | 217 Ų | 217 | 151.8 Ų | 151.8 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -123.4 | 105.1 | 162.2 | -81.4 | 88.6 | 0 | 0 | 0 | 105.3 | ||||
| 1582 | D | 25.8 | Very low | 26.9 | Very low | 134 Ų | 134 | 151.6 Ų | 151.6 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | trans | -136.4 | 125.8 | 164.5 | -84.9 | -42.2 | 0 | 0 | 0 | 110.2 | ||||
| 1583 | E | 23.9 | Very low | 27 | Very low | 162 Ų | 162 | 148.8 Ų | 148.8 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | trans | 71.5 | 95 | 147 | -64.7 | -169.7 | 151.8 | 0 | 0 | 121.4 | ||||
| 1584 | I | 27.1 | Very low | 27.1 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 86% | 0.862 | 78% | 0.778 | S | S | * | * | trans | -132.1 | 107.8 | 133.5 | -59.8 | -178.6 | 0 | 0 | 0 | 108.8 | ||||
| 1585 | K | 23.7 | Very low | 27.2 | Very low | 165 Ų | 165 | 147.7 Ų | 147.7 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | trans | -66.6 | 136.2 | 164.2 | -72.7 | 172.9 | 174.5 | 172 | 0 | 110.1 | ||||
| 1586 | I | 28 | Very low | 27.6 | Very low | 166 Ų | 166 | 148.9 Ų | 148.9 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | -137.3 | 122.8 | 136.4 | -59.7 | -175.4 | 0 | 0 | 0 | 107.9 | ||||
| 1587 | D | 28.2 | Very low | 27.8 | Very low | 123 Ų | 123 | 150.9 Ų | 150.9 | 66% | 0.658 | 78% | 0.783 | S | S | * | * | trans | -74.2 | 133.9 | -178.5 | -74.7 | -60.3 | 0 | 0 | 0 | 113.8 | ||||
| 1588 | N | 30.5 | Very low | 28.4 | Very low | 144 Ų | 144 | 148.5 Ų | 148.5 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | 56.1 | 162.2 | 129.6 | -77 | -25 | 0 | 0 | 0 | 123.1 | |||||
| 1589 | P | 33.6 | Very low | 29.5 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 69% | 0.688 | 75% | 0.747 | S | S | * | * | cis | -144.1 | 168.3 | -49.3 | 40 | -21.2 | 0 | 0 | 0 | 114.9 | ||||
| 1590 | I | 26.3 | Very low | 30.6 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | -15.7 | 132.5 | 156 | -58.1 | 159.2 | 0 | 0 | 0 | 117.8 | ||||
| 1591 | Q | 29.8 | Very low | 31.3 | Very low | 201 Ų | 201 | 141.7 Ų | 141.7 | 94% | 0.939 | 73% | 0.728 | S | S | * | * | trans | -117.5 | 138 | 140 | -102.2 | -170.2 | -0.1 | 0 | 0 | 110.8 | ||||
| 1592 | S | 26.7 | Very low | 31.7 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | trans | -85 | 152.4 | -162.8 | 53.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1593 | S | 29.7 | Very low | 32 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 85% | 0.853 | 72% | 0.724 | S | S | * | * | trans | -137.7 | 129.1 | 134 | 62.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1594 | A | 28.1 | Very low | 32.4 | Very low | 87 Ų | 87 | 136.8 Ų | 136.8 | 72% | 0.719 | 72% | 0.722 | S | S | * | * | trans | -63.6 | 161.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1595 | K | 29.5 | Very low | 32.7 | Very low | 195 Ų | 195 | 135 Ų | 135 | 85% | 0.848 | 71% | 0.714 | S | S | * | * | cis | -179 | 92 | 39.2 | -148.7 | 174.2 | -161.5 | -179.5 | 0 | 108.3 | ||||
| 1596 | I | 31.9 | Very low | 33.3 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 74% | 0.744 | 71% | 0.714 | S | S | * | * | trans | -143.3 | 88.1 | 163 | -56.5 | -178.8 | 0 | 0 | 0 | 108.2 | N1598 | I1596-N1598 PolarHBondContact O-N 3.48Š| ||
| 1597 | E | 32.3 | Very low | 33.6 | Very low | 181 Ų | 181 | 130.9 Ų | 130.9 | 85% | 0.846 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 105.3 | 165.7 | -68.4 | 173.8 | 170.7 | 0 | 0 | 107.5 | ||
| 1598 | N | 41.1 | Very low | 34 | Very low | 88 Ų | 88 | 131.5 Ų | 131.5 | 47% | 0.471 | 71% | 0.708 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 163 | 17.6 | 154.5 | -83.1 | -35.1 | 0 | 0 | 0 | 115.6 | K1521 I1596 | K1521-N1598 WeakPolarHBondContact O-CB 3.45Å; I1596-N1598 PolarHBondContact O-N 3.48Å |
| 1599 | I | 46.9 | Very low | 34.3 | Very low | 81 Ų | 81 | 130.5 Ų | 130.5 | 42% | 0.415 | 70% | 0.703 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105 | 121.6 | 174.1 | -58.9 | 173.6 | 0 | 0 | 0 | 108.7 | V1525 F1601 | V1525-I1599 HydrophobicContact CG2-CG2 4.25Å; I1599-F1601 HydrophobicContact CG2-CD1 4.05Å; I1599-F1601 HydrophobicContact CG2-CD2 4.35Å; I1599-F1601 HydrophobicContact CG2-CE1 3.78Å; I1599-F1601 HydrophobicContact CG2-CE2 4.07Å; I1599-F1601 HydrophobicContact CG2-CG 4.35Å; I1599-F1601 HydrophobicContact CG2-CZ 3.79Å |
| 1600 | L | 48.6 | Very low | 34.4 | Very low | 86 Ų | 86 | 132.6 Ų | 132.6 | 45% | 0.45 | 70% | 0.704 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.7 | 119.7 | 165.7 | -105.9 | 146.3 | 0 | 0 | 0 | 106.8 | R1522 | R1522-L1600 HydrophobicContact CG-CD1 4.35Å; R1522-L1600 VanDerWaalsContact NH1-CD1 3.32Å |
| 1601 | F | 41.6 | Very low | 35.1 | Very low | 146 Ų | 146 | 130.7 Ų | 130.7 | 64% | 0.64 | 70% | 0.697 | S | S | * | * | trans | -87.1 | 0 | 174.3 | -69.6 | -66.2 | 0 | 0 | 0 | 110.1 | F1480 I1599 | F1480-F1601 HydrophobicContact CB-CD1 3.23Å; F1480-F1601 HydrophobicContact CB-CE1 3.38Å; F1480-F1601 HydrophobicContact CB-CG 4.21Å; F1480-F1601 HydrophobicContact CB-CZ 4.46Å; F1480-F1601 HydrophobicContact CD1-CB 3.96Å; F1480-F1601 AromaticContact CD1-CD1 3.64Å; F1480-F1601 HydrophobicContact CD1-CD1 3.64Å; F1480-F1601 HydrophobicContact CD1-CG 4.23Å; F1480-F1601 HydrophobicContact CD2-CB 3.88Å; F1480-F1601 AromaticContact CD2-CD1 3.81Å; F1480-F1601 HydrophobicContact CD2-CD1 3.81Å; F1480-F1601 AromaticContact CD2-CG 3.96Å; F1480-F1601 HydrophobicContact CD2-CG 3.96Å; F1480-F1601 HydrophobicContact CE1-CB 3.77Å; F1480-F1601 HydrophobicContact CE1-CD1 4.33Å; F1480-F1601 WeakPolarHBondContact CE1-OXT 3.43Å; F1480-F1601 HydrophobicContact CE2-CB 3.72Å; F1480-F1601 HydrophobicContact CE2-CD1 4.5Å; F1480-F1601 HydrophobicContact CE2-CG 4.3Å; F1480-F1601 HydrophobicContact CG-CB 3.99Å; F1480-F1601 AromaticContact CG-CD1 3.31Å; F1480-F1601 HydrophobicContact CG-CD1 3.31Å; F1480-F1601 HydrophobicContact CG-CE1 4.01Å; F1480-F1601 AromaticContact CG-CG 3.91Å; F1480-F1601 HydrophobicContact CG-CG 3.91Å; F1480-F1601 HydrophobicContact CZ-CB 3.63Å; I1599-F1601 HydrophobicContact CG2-CD1 4.05Å; I1599-F1601 HydrophobicContact CG2-CD2 4.35Å; I1599-F1601 HydrophobicContact CG2-CE1 3.78Å; I1599-F1601 HydrophobicContact CG2-CE2 4.07Å; I1599-F1601 HydrophobicContact CG2-CG 4.35Å; I1599-F1601 HydrophobicContact CG2-CZ 3.79Å |
Retrieved 1,601 of 1,601 residues in 3233.4 ms
(Link to these results)