| 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 | 27.1 | Very low | 30.5 | Very low | 232 Ų | 232 | 134.4 Ų | 134.4 | 100% | 1.143 | 79% | 0.792 | S | S | * | * | 0 | 95.5 | 0 | -76.5 | 170.1 | 174.9 | 0 | 0 | 105.5 | |||||
| 2 | T | 31.4 | Very low | 29.9 | Very low | 112 Ų | 112 | 136 Ų | 136 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | 84.7 | 98.7 | 89.8 | 50.5 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 3 | D | 31.6 | Very low | 29.6 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | 65 | 151.7 | 139.1 | -43.1 | -52.7 | 0 | 0 | 0 | 119.4 | ||||
| 4 | G | 29.4 | Very low | 29.2 | Very low | 68 Ų | 68 | 138.4 Ų | 138.4 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | cis | -177.4 | 167.6 | -3.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 5 | P | 41.7 | Very low | 28.9 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 90% | 0.896 | 78% | 0.778 | S | S | * | * | trans | -118.9 | 166 | -158.9 | 41.3 | -32.8 | 0 | 0 | 0 | 117.4 | ||||
| 6 | G | 28.6 | Very low | 28.7 | Very low | 70 Ų | 70 | 133.6 Ų | 133.6 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | 157.9 | 170.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 7 | K | 27.7 | Very low | 28.6 | Very low | 193 Ų | 193 | 134.2 Ų | 134.2 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | cis | 179.8 | 123.2 | -28.7 | -128.6 | -166.3 | 177.4 | -178.1 | 0 | 111.5 | ||||
| 8 | V | 25.9 | Very low | 28.6 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 72% | 0.715 | 77% | 0.768 | S | S | * | * | trans | 63.8 | 157.5 | 157.9 | -136.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 9 | I | 26.9 | Very low | 28.5 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | cis | -152.7 | 140.1 | 31.1 | -57.6 | 167.2 | 0 | 0 | 0 | 113 | ||||
| 10 | N | 24.8 | Very low | 28.5 | Very low | 138 Ų | 138 | 134.3 Ų | 134.3 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | -8.9 | 173.5 | 147.4 | -58.3 | 6.1 | 0 | 0 | 0 | 121.5 | ||||
| 11 | P | 40.1 | Very low | 28.4 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | cis | -142 | -154 | -43.1 | 38.8 | -17.6 | 0 | 0 | 0 | 113.4 | ||||
| 12 | I | 23.6 | Very low | 28.4 | Very low | 154 Ų | 154 | 129 Ų | 129 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | trans | 69.9 | 139.4 | 169.5 | -13.2 | 179.6 | 0 | 0 | 0 | 113.4 | ||||
| 13 | I | 26 | Very low | 28.1 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | -160.5 | 163.1 | 53.9 | -89.8 | -179.7 | 0 | 0 | 0 | 112.9 | |||||
| 14 | E | 24.4 | Very low | 27.9 | Very low | 170 Ų | 170 | 131.4 Ų | 131.4 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | trans | -15.4 | 161.6 | 156.9 | -60 | 158.2 | 144.7 | 0 | 0 | 119 | ||||
| 15 | S | 24.6 | Very low | 27.9 | Very low | 97 Ų | 97 | 132.8 Ų | 132.8 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | cis | -170 | -156.9 | -10.7 | 52 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 16 | T | 26.3 | Very low | 27.1 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 63% | 0.632 | 71% | 0.711 | S | S | * | * | cis | -160.5 | -178.8 | 7.2 | -10.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 17 | D | 26 | Very low | 27.1 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 77% | 0.77 | 71% | 0.708 | S | S | * | * | trans | 27.5 | 141.3 | 144.9 | -48.6 | -22.2 | 0 | 0 | 0 | 121.3 | ||||
| 18 | E | 27.9 | Very low | 27 | Very low | 160 Ų | 160 | 133.3 Ų | 133.3 | 75% | 0.748 | 71% | 0.709 | S | S | * | * | cis | -155.7 | -166.3 | 5 | -131.4 | -160.1 | 149.8 | 0 | 0 | 107.6 | ||||
| 19 | Q | 27.4 | Very low | 26.9 | Very low | 147 Ų | 147 | 133.2 Ų | 133.2 | 69% | 0.687 | 71% | 0.705 | S | S | * | * | cis | -154.3 | -175.7 | 11.2 | -158.7 | 164 | 89.6 | 0 | 0 | 109.6 | ||||
| 20 | S | 28.9 | Very low | 26.9 | Very low | 98 Ų | 98 | 134.2 Ų | 134.2 | 69% | 0.685 | 71% | 0.706 | S | S | * | * | trans | 59.6 | 69.5 | 156.7 | 65.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 21 | D | 26.9 | Very low | 26.9 | Very low | 137 Ų | 137 | 136 Ų | 136 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | 30.9 | 146.6 | 103.9 | -80.7 | -7.4 | 0 | 0 | 0 | 121.1 | |||||
| 22 | Q | 26 | Very low | 26.1 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 56% | 0.556 | 72% | 0.721 | S | S | * | * | cis | -172.2 | 132 | -22.5 | -137.4 | -174.9 | 105.9 | 0 | 0 | 108.9 | ||||
| 23 | L | 26.2 | Very low | 26.2 | Very low | 178 Ų | 178 | 140.4 Ų | 140.4 | 93% | 0.932 | 72% | 0.723 | S | S | * | * | trans | -165.5 | 135.8 | 138.7 | -112.2 | 154.6 | 0 | 0 | 0 | 111.3 | ||||
| 24 | K | 27.1 | Very low | 26.2 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 62% | 0.617 | 74% | 0.736 | S | S | * | * | trans | -90.9 | 169.4 | -170.3 | -67.9 | 162.8 | 174.1 | 140.9 | 0 | 109.6 | ||||
| 25 | I | 28.7 | Very low | 26.3 | Very low | 96 Ų | 96 | 139.2 Ų | 139.2 | 49% | 0.492 | 73% | 0.734 | S | S | . | * | -157.2 | 132.9 | 50.7 | -80.1 | 172.3 | 0 | 0 | 0 | 111.2 | |||||
| 26 | E | 26 | Very low | 26.3 | Very low | 147 Ų | 147 | 139.9 Ų | 139.9 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | trans | -74.2 | 170.2 | 165.9 | -40.1 | 108 | 130.3 | 0 | 0 | 110.6 | ||||
| 27 | D | 26.6 | Very low | 26.4 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 65% | 0.652 | 75% | 0.747 | S | S | * | * | cis | -168.3 | 150.7 | 13.2 | -150.4 | -15.4 | 0 | 0 | 0 | 108.1 | D29 | D27-D29 PolarHBondContact OD1-N 3.11Š| ||
| 28 | V | 27.2 | Very low | 26.4 | Very low | 143 Ų | 143 | 143.5 Ų | 143.5 | 87% | 0.867 | 75% | 0.749 | S | S | * | * | -155.8 | 74.3 | 127 | -172.5 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 29 | D | 24.2 | Very low | 26.5 | Very low | 116 Ų | 116 | 141 Ų | 141 | 62% | 0.62 | 75% | 0.749 | S | S | * | * | trans | -79.9 | 118 | 152.6 | -153.3 | -15.5 | 0 | 0 | 0 | 109.6 | D27 | D27-D29 PolarHBondContact OD1-N 3.11Š| ||
| 30 | Q | 25.2 | Very low | 26.9 | Very low | 169 Ų | 169 | 141 Ų | 141 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | -176.4 | 93.6 | 160.3 | -112.7 | 158.4 | 82.9 | 0 | 0 | 112.2 | ||||
| 31 | L | 25.3 | Very low | 26.9 | Very low | 175 Ų | 175 | 140.3 Ų | 140.3 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | S | Bend | -178.5 | 30.9 | 126.9 | -96.9 | 169 | 0 | 0 | 0 | 114.6 | |||
| 32 | Q | 23.6 | Very low | 27.6 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | trans | -94.6 | 140.7 | 134.5 | -63.3 | 177.5 | -14.1 | 0 | 0 | 105.3 | ||||
| 33 | H | 25.3 | Very low | 28.2 | Very low | 180 Ų | 180 | 137.7 Ų | 137.7 | 83% | 0.833 | 76% | 0.757 | S | S | * | * | cis | -157.9 | 116.5 | 16.3 | -171.3 | -81.3 | 0 | 0 | 0 | 110.4 | ||||
| 34 | E | 25.5 | Very low | 28.8 | Very low | 205 Ų | 205 | 134.5 Ų | 134.5 | 96% | 0.958 | 74% | 0.741 | S | S | * | * | trans | -160.1 | 124.1 | 166.8 | -138.6 | -179.3 | -129.9 | 0 | 0 | 111.8 | ||||
| 35 | G | 26.7 | Very low | 29.6 | Very low | 74 Ų | 74 | 132.8 Ų | 132.8 | 76% | 0.763 | 74% | 0.738 | S | S | * | * | trans | 117.5 | 71.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 36 | S | 24.7 | Very low | 30.2 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | -66.9 | 167 | 145.2 | 56.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 37 | E | 28.1 | Very low | 31.4 | Very low | 173 Ų | 173 | 135.8 Ų | 135.8 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | cis | -139.1 | -164.8 | 18.7 | -63.2 | 168.4 | 115 | 0 | 0 | 111.4 | ||||
| 38 | D | 27.3 | Very low | 32.6 | Very low | 151 Ų | 151 | 135.8 Ų | 135.8 | 81% | 0.807 | 74% | 0.74 | S | S | * | * | trans | 71.2 | 87.1 | 162.4 | -70.9 | -15.4 | 0 | 0 | 0 | 120.4 | ||||
| 39 | S | 29.5 | Very low | 33.8 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | 146.8 | 142 | 97.6 | 59.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 40 | T | 35.2 | Very low | 35.3 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 91% | 0.908 | 72% | 0.722 | S | S | * | * | trans | 55 | 110.5 | 178.1 | 51.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 41 | G | 30.6 | Very low | 36.7 | Very low | 83 Ų | 83 | 131.2 Ų | 131.2 | 86% | 0.856 | 71% | 0.706 | S | S | * | * | trans | -112.2 | 158.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 42 | S | 39.8 | Very low | 37.8 | Very low | 60 Ų | 60 | 127.1 Ų | 127.1 | 42% | 0.42 | 69% | 0.685 | S | S | . | * | trans | -152.9 | 123.4 | 153.1 | 136.1 | 0 | 0 | 0 | 0 | 103 | D44 L45 | S42-D44 VanDerWaalsContact CB-OD2 3.3Å; S42-D44 WeakPolarHBondContact CB-OD2 3.19Å; S42-D44 PolarHBondContact OG-OD2 3.21Å; S42-L45 PolarHBondContact OG-N 2.98Å | ||
| 43 | E | 39.9 | Very low | 39 | Very low | 141 Ų | 141 | 125.5 Ų | 125.5 | 66% | 0.659 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -79.2 | -27.6 | -179.3 | -65.1 | -141 | 102.2 | 0 | 0 | 111.2 | L45 R46 L47 | E43-L45 VanDerWaalsContact C-N 3.32Å; E43-L45 PolarHBondContact O-N 2.65Å; E43-R46 CarbonylContact O-C 3.58Å; E43-R46 VanDerWaalsContact O-CA 3.27Å; E43-R46 WeakPolarHBondContact O-CA 3.38Å; E43-R46 WeakPolarHBondContact O-CB 3.38Å; E43-R46 PolarHBondContact O-N 3.01Å; E43-L47 PolarHBondContact O-N 3.07Å |
| 44 | D | 38.4 | Very low | 40.4 | Very low | 111 Ų | 111 | 121.8 Ų | 121.8 | 59% | 0.594 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -49.1 | -46.2 | 169.8 | -6.1 | -62.4 | 0 | 0 | 0 | 112 | S42 R46 L47 F48 | S42-D44 VanDerWaalsContact CB-OD2 3.3Å; S42-D44 WeakPolarHBondContact CB-OD2 3.19Å; S42-D44 PolarHBondContact OG-OD2 3.21Å; D44-R46 PolarHBondContact O-N 2.79Å; D44-L47 PolarHBondContact O-N 3.48Å; D44-F48 WeakPolarHBondContact O-CB 3.39Å; D44-F48 PolarHBondContact O-N 2.89Å |
| 45 | L | 43.3 | Very low | 41.2 | Very low | 106 Ų | 106 | 117.9 Ų | 117.9 | 56% | 0.555 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63.7 | -26.3 | 175 | -177.5 | 60 | 0 | 0 | 0 | 112.7 | S42 E43 L49 | S42-L45 PolarHBondContact OG-N 2.98Å; E43-L45 VanDerWaalsContact C-N 3.32Å; E43-L45 PolarHBondContact O-N 2.65Å; L45-L49 HydrophobicContact CD1-CD1 4.34Å; L45-L49 HydrophobicContact CG-CD1 4.33Å; L45-L49 VanDerWaalsContact O-CB 3.28Å; L45-L49 WeakPolarHBondContact O-CB 3.31Å; L45-L49 WeakPolarHBondContact O-CD1 3.24Å; L45-L49 VanDerWaalsContact O-CG 3.25Å; L45-L49 WeakPolarHBondContact O-CG 3.45Å; L45-L49 PolarHBondContact O-N 2.68Å |
| 46 | R | 42.4 | Very low | 42 | Very low | 190 Ų | 190 | 118.7 Ų | 118.7 | 72% | 0.717 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -85.5 | -35.3 | -179.9 | -145 | 177.8 | -168.5 | -179.8 | 2.1 | 112 | E43 D44 K50 | E43-R46 CarbonylContact O-C 3.58Å; E43-R46 VanDerWaalsContact O-CA 3.27Å; E43-R46 WeakPolarHBondContact O-CA 3.38Å; E43-R46 WeakPolarHBondContact O-CB 3.38Å; E43-R46 PolarHBondContact O-N 3.01Å; D44-R46 PolarHBondContact O-N 2.79Å; R46-K50 WeakPolarHBondContact O-CB 3.27Å; R46-K50 PolarHBondContact O-N 3.03Å |
| 47 | L | 51 | Low | 42.8 | Very low | 116 Ų | 116 | 120 Ų | 120 | 61% | 0.607 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.8 | -50.6 | 170.2 | -76.4 | 162.1 | 0 | 0 | 0 | 110.7 | E43 D44 L49 K50 E51 | E43-L47 PolarHBondContact O-N 3.07Å; D44-L47 PolarHBondContact O-N 3.48Å; L47-L49 VanDerWaalsContact C-N 3.32Å; L47-L49 PolarHBondContact O-N 2.71Å; L47-K50 WeakPolarHBondContact O-CA 3.48Å; L47-K50 VanDerWaalsContact O-CB 3.31Å; L47-K50 WeakPolarHBondContact O-CB 3.37Å; L47-K50 PolarHBondContact O-N 2.81Å; L47-E51 PolarHBondContact O-N 3.05Å |
| 48 | F | 50.5 | Low | 43.4 | Very low | 122 Ų | 122 | 117.8 Ų | 117.8 | 54% | 0.535 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -55.2 | -44.4 | 174.7 | -178 | -103.4 | 0 | 0 | 0 | 112.1 | D44 K50 L52 | D44-F48 WeakPolarHBondContact O-CB 3.39Å; D44-F48 PolarHBondContact O-N 2.89Å; F48-K50 VanDerWaalsContact C-N 3.25Å; F48-K50 PolarHBondContact O-N 3.31Å; F48-L52 HydrophobicContact CD1-CD1 4.4Å; F48-L52 HydrophobicContact CE1-CD1 3.7Å; F48-L52 HydrophobicContact CZ-CD1 3.77Å; F48-L52 VanDerWaalsContact O-CB 3.22Å; F48-L52 WeakPolarHBondContact O-CB 3.42Å; F48-L52 PolarHBondContact O-N 3.32Å |
| 49 | L | 52.7 | Low | 43.7 | Very low | 110 Ų | 110 | 117.6 Ų | 117.6 | 58% | 0.576 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69.7 | -17.4 | 174.9 | -80.5 | 172.2 | 0 | 0 | 0 | 114.5 | L45 L47 H53 | L45-L49 HydrophobicContact CD1-CD1 4.34Å; L45-L49 HydrophobicContact CG-CD1 4.33Å; L45-L49 VanDerWaalsContact O-CB 3.28Å; L45-L49 WeakPolarHBondContact O-CB 3.31Å; L45-L49 WeakPolarHBondContact O-CD1 3.24Å; L45-L49 VanDerWaalsContact O-CG 3.25Å; L45-L49 WeakPolarHBondContact O-CG 3.45Å; L45-L49 PolarHBondContact O-N 2.68Å; L47-L49 VanDerWaalsContact C-N 3.32Å; L47-L49 PolarHBondContact O-N 2.71Å; L49-H53 WeakPolarHBondContact O-CB 3.25Å |
| 50 | K | 56.5 | Low | 44 | Very low | 127 Ų | 127 | 120.3 Ų | 120.3 | 55% | 0.552 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -83.9 | -47.7 | 175.4 | -162.3 | -173.2 | 177.9 | -134.5 | 0 | 110.5 | R46 L47 F48 L52 H53 E54 | R46-K50 WeakPolarHBondContact O-CB 3.27Å; R46-K50 PolarHBondContact O-N 3.03Å; L47-K50 WeakPolarHBondContact O-CA 3.48Å; L47-K50 VanDerWaalsContact O-CB 3.31Å; L47-K50 WeakPolarHBondContact O-CB 3.37Å; L47-K50 PolarHBondContact O-N 2.81Å; F48-K50 VanDerWaalsContact C-N 3.25Å; F48-K50 PolarHBondContact O-N 3.31Å; K50-L52 PolarHBondContact O-N 3.02Å; K50-H53 CarbonylContact O-C 3.47Å; K50-H53 WeakPolarHBondContact O-CA 3.46Å; K50-H53 VanDerWaalsContact O-CB 3.3Å; K50-H53 WeakPolarHBondContact O-CB 3.12Å; K50-H53 PolarHBondContact O-N 3.27Å; K50-E54 PolarHBondContact O-N 3.24Å |
| 51 | E | 54.4 | Low | 43.9 | Very low | 96 Ų | 96 | 120.4 Ų | 120.4 | 45% | 0.449 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.5 | -42.4 | 176.6 | -164.8 | -158.3 | 138.5 | 0 | 0 | 112 | L47 H53 E54 K55 | L47-E51 PolarHBondContact O-N 3.05Å; E51-H53 PolarHBondContact O-N 2.96Å; E51-E54 PolarHBondContact O-N 2.91Å; E51-K55 HydrophobicContact CG-CD 4.45Å; E51-K55 PolarHBondContact O-N 3.23Å; E51-K55 WeakPolarHBondContact OE1-CE 3.14Å; E51-K55 IonicContact OE1-NZ 3.27Å; E51-K55 PolarHBondContact OE1-NZ 3.34Å |
| 52 | L | 48.8 | Very low | 44.1 | Very low | 89 Ų | 89 | 125 Ų | 125 | 47% | 0.466 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.6 | -12.9 | 173.1 | -143.6 | 166.6 | 0 | 0 | 0 | 112.1 | F48 K50 V56 | F48-L52 HydrophobicContact CD1-CD1 4.4Å; F48-L52 HydrophobicContact CE1-CD1 3.7Å; F48-L52 HydrophobicContact CZ-CD1 3.77Å; F48-L52 VanDerWaalsContact O-CB 3.22Å; F48-L52 WeakPolarHBondContact O-CB 3.42Å; F48-L52 PolarHBondContact O-N 3.32Å; K50-L52 PolarHBondContact O-N 3.02Å; L52-V56 HydrophobicContact CD2-CG2 4.15Å; L52-V56 WeakPolarHBondContact O-CB 3.28Å; L52-V56 WeakPolarHBondContact O-CG2 3.17Å |
| 53 | H | 48.6 | Very low | 43.6 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 63% | 0.63 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -94.3 | -20.5 | 170.7 | -155.4 | 79 | 0 | 0 | 0 | 113.2 | L49 K50 E51 K57 | L49-H53 WeakPolarHBondContact O-CB 3.25Å; K50-H53 CarbonylContact O-C 3.47Å; K50-H53 WeakPolarHBondContact O-CA 3.46Å; K50-H53 VanDerWaalsContact O-CB 3.3Å; K50-H53 WeakPolarHBondContact O-CB 3.12Å; K50-H53 PolarHBondContact O-N 3.27Å; E51-H53 PolarHBondContact O-N 2.96Å; H53-K57 WeakPolarHBondContact O-CB 3.46Å |
| 54 | E | 54.9 | Low | 43.1 | Very low | 102 Ų | 102 | 130.6 Ų | 130.6 | 48% | 0.477 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -83.9 | -47.9 | 172.4 | -82.4 | 169.9 | 139.6 | 0 | 0 | 111.2 | K50 E51 V56 K57 E58 | K50-E54 PolarHBondContact O-N 3.24Å; E51-E54 PolarHBondContact O-N 2.91Å; E54-V56 VanDerWaalsContact C-N 3.28Å; E54-V56 PolarHBondContact O-N 2.99Å; E54-K57 WeakPolarHBondContact O-CA 3.13Å; E54-K57 VanDerWaalsContact O-CB 3.25Å; E54-K57 WeakPolarHBondContact O-CB 3.37Å; E54-K57 PolarHBondContact O-N 3.14Å; E54-E58 PolarHBondContact O-N 2.97Å |
| 55 | K | 41.7 | Very low | 42.7 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 54% | 0.535 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -58.8 | -36 | 175.5 | -76.2 | 173.5 | 174.2 | 166.2 | 0 | 113.2 | E51 K57 D59 | E51-K55 HydrophobicContact CG-CD 4.45Å; E51-K55 PolarHBondContact O-N 3.23Å; E51-K55 WeakPolarHBondContact OE1-CE 3.14Å; E51-K55 IonicContact OE1-NZ 3.27Å; E51-K55 PolarHBondContact OE1-NZ 3.34Å; K55-K57 PolarHBondContact O-N 3.02Å; K55-D59 PolarHBondContact O-N 2.67Å |
| 56 | V | 44.4 | Very low | 42 | Very low | 92 Ų | 92 | 139 Ų | 139 | 56% | 0.558 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -71.8 | -15.8 | 174 | 169.7 | 0 | 0 | 0 | 0 | 113.2 | L52 E54 | L52-V56 HydrophobicContact CD2-CG2 4.15Å; L52-V56 WeakPolarHBondContact O-CB 3.28Å; L52-V56 WeakPolarHBondContact O-CG2 3.17Å; E54-V56 VanDerWaalsContact C-N 3.28Å; E54-V56 PolarHBondContact O-N 2.99Å |
| 57 | K | 40.1 | Very low | 41.2 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 60% | 0.596 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -92.9 | -32.1 | 179.5 | -163 | 179.4 | -179.6 | -169.9 | 0 | 112 | H53 E54 K55 H60 | H53-K57 WeakPolarHBondContact O-CB 3.46Å; E54-K57 WeakPolarHBondContact O-CA 3.13Å; E54-K57 VanDerWaalsContact O-CB 3.25Å; E54-K57 WeakPolarHBondContact O-CB 3.37Å; E54-K57 PolarHBondContact O-N 3.14Å; K55-K57 PolarHBondContact O-N 3.02Å; K57-H60 PolarHBondContact O-N 2.91Å |
| 58 | E | 40.6 | Very low | 40 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 59% | 0.593 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -71.4 | -44.8 | 176 | -67.1 | 175.1 | 132.3 | 0 | 0 | 111.8 | E54 H60 H61 | E54-E58 PolarHBondContact O-N 2.97Å; E58-H60 PolarHBondContact O-N 3.46Å; E58-H61 PolarHBondContact O-N 3.03Å |
| 59 | D | 35.1 | Very low | 39.1 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 79% | 0.786 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -11.2 | 173.7 | -99.3 | -8.6 | 0 | 0 | 0 | 114.2 | K55 | K55-D59 PolarHBondContact O-N 2.67Š|
| 60 | H | 36.1 | Very low | 37.9 | Very low | 163 Ų | 163 | 142.6 Ų | 142.6 | 76% | 0.755 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | -3.1 | 175.7 | -107.1 | 51.2 | 0 | 0 | 0 | 115.2 | K57 E58 | K57-H60 PolarHBondContact O-N 2.91Å; E58-H60 PolarHBondContact O-N 3.46Å |
| 61 | H | 33.1 | Very low | 36.5 | Very low | 150 Ų | 150 | 144.9 Ų | 144.9 | 69% | 0.694 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | -19.5 | -179.8 | -95.8 | -70.7 | 0 | 0 | 0 | 115.4 | E58 H63 | E58-H61 PolarHBondContact O-N 3.03Å; H61-H63 VanDerWaalsContact C-N 3.26Å; H61-H63 PolarHBondContact O-N 3.34Å |
| 62 | H | 33.4 | Very low | 35.1 | Very low | 181 Ų | 181 | 144.7 Ų | 144.7 | 84% | 0.838 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | 15.2 | -179.1 | -101 | -73.2 | 0 | 0 | 0 | 116.3 | ||
| 63 | H | 30.9 | Very low | 34 | Very low | 173 Ų | 173 | 147.9 Ų | 147.9 | 80% | 0.801 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.2 | 23 | -178.1 | -144 | 72.6 | 0 | 0 | 0 | 115.1 | H61 | H61-H63 VanDerWaalsContact C-N 3.26Å; H61-H63 PolarHBondContact O-N 3.34Å |
| 64 | N | 28.5 | Very low | 32.7 | Very low | 145 Ų | 145 | 147.1 Ų | 147.1 | 78% | 0.775 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -149.5 | 131.2 | 168.9 | -97.3 | -69.3 | 0 | 0 | 0 | 111.5 | ||
| 65 | Q | 30.3 | Very low | 31.4 | Very low | 190 Ų | 190 | 149.6 Ų | 149.6 | 89% | 0.888 | 73% | 0.733 | S | S | * | * | trans | 65.1 | 137.3 | -173.6 | -50.5 | 178.3 | 4.5 | 0 | 0 | 112.5 | ||||
| 66 | Q | 27.4 | Very low | 30.6 | Very low | 204 Ų | 204 | 150.1 Ų | 150.1 | 95% | 0.953 | 74% | 0.74 | S | S | * | * | cis | -92.9 | 137.5 | 14.2 | -65.5 | 174.3 | -13.8 | 0 | 0 | 114.2 | ||||
| 67 | Q | 26.5 | Very low | 30.1 | Very low | 170 Ų | 170 | 150.9 Ų | 150.9 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | trans | -131.5 | 130.4 | 159.2 | -158.1 | -178.8 | 47.2 | 0 | 0 | 107.3 | ||||
| 68 | Q | 26.8 | Very low | 29.3 | Very low | 167 Ų | 167 | 148.9 Ų | 148.9 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | trans | 66.4 | 158.5 | 163.6 | -89.4 | 179.5 | 20.3 | 0 | 0 | 117.8 | ||||
| 69 | I | 31 | Very low | 28.5 | Very low | 123 Ų | 123 | 149.6 Ų | 149.6 | 63% | 0.631 | 76% | 0.763 | S | S | * | * | cis | -131.8 | 169.1 | -4.8 | -16.9 | 158 | 0 | 0 | 0 | 106.4 | ||||
| 70 | Q | 27.5 | Very low | 28.1 | Very low | 153 Ų | 153 | 146 Ų | 146 | 72% | 0.715 | 76% | 0.761 | S | S | * | * | cis | 176.6 | 140 | 49.6 | -124.6 | 137.3 | -1 | 0 | 0 | 105 | ||||
| 71 | Q | 27.4 | Very low | 27.5 | Very low | 175 Ų | 175 | 148 Ų | 148 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | cis | -144 | -166.1 | -5.1 | -55.8 | -173.5 | 95.4 | 0 | 0 | 106.7 | ||||
| 72 | S | 25 | Very low | 27.2 | Very low | 92 Ų | 92 | 145.6 Ų | 145.6 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | cis | -152.2 | 164.1 | -0.5 | 71.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 73 | H | 24.8 | Very low | 26.7 | Very low | 155 Ų | 155 | 146 Ų | 146 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | cis | -131.4 | 150.3 | 0.6 | -104.3 | -82.7 | 0 | 0 | 0 | 109 | ||||
| 74 | V | 22.1 | Very low | 26.7 | Very low | 120 Ų | 120 | 143 Ų | 143 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -127.4 | 124.3 | 158.7 | 173.3 | 0 | 0 | 0 | 0 | 107.8 | I76 | V74-I76 HydrophobicContact CG1-CD1 3.55Å; V74-I76 HydrophobicContact CG1-CG1 3.8Å | ||
| 75 | I | 26.8 | Very low | 26.6 | Very low | 154 Ų | 154 | 142.6 Ų | 142.6 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -132.2 | 133 | 163.8 | -61.8 | -177 | 0 | 0 | 0 | 108.1 | ||||
| 76 | I | 25.1 | Very low | 26.2 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | trans | -141.2 | 153.7 | -173.2 | -64 | 168.6 | 0 | 0 | 0 | 104.7 | V74 | V74-I76 HydrophobicContact CG1-CD1 3.55Å; V74-I76 HydrophobicContact CG1-CG1 3.8Å | ||
| 77 | P | 33.9 | Very low | 26.1 | Very low | 108 Ų | 108 | 135.6 Ų | 135.6 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | cis | -126.6 | -170.3 | -10.8 | 28.2 | -5.8 | 0 | 0 | 0 | 113.3 | ||||
| 78 | S | 23.4 | Very low | 26.1 | Very low | 95 Ų | 95 | 134.6 Ų | 134.6 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | 134.1 | 131.9 | 112.4 | 67.2 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 79 | T | 23.9 | Very low | 26.1 | Very low | 142 Ų | 142 | 134 Ų | 134 | 87% | 0.871 | 77% | 0.765 | S | S | * | * | trans | 60 | 140.7 | 147 | 50.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 80 | G | 25.8 | Very low | 26.2 | Very low | 71 Ų | 71 | 134 Ų | 134 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | trans | 107.4 | 78.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 81 | H | 23.8 | Very low | 25.9 | Very low | 205 Ų | 205 | 129.9 Ų | 129.9 | 95% | 0.949 | 77% | 0.773 | S | S | * | * | 47.1 | 97.2 | 84.6 | -91.8 | -35.9 | 0 | 0 | 0 | 117 | |||||
| 82 | A | 27.7 | Very low | 25.9 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | -158.9 | 137 | 138.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 83 | Q | 21.8 | Very low | 26.1 | Very low | 190 Ų | 190 | 134.2 Ų | 134.2 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | -125.2 | -179.2 | 156.8 | -67.3 | -169.1 | -6.9 | 0 | 0 | 106.2 | ||||
| 84 | P | 32.2 | Very low | 26.3 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | cis | -127.5 | -167.6 | -9.7 | 41.5 | -26.2 | 0 | 0 | 0 | 112 | ||||
| 85 | V | 24.4 | Very low | 26.4 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | -173.4 | 140 | 124.7 | 142.7 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 86 | C | 21.9 | Very low | 26.4 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -108.1 | 153.9 | 171.3 | -64.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 87 | V | 25.5 | Very low | 26.6 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | trans | -163.5 | 117.4 | 150.9 | 126.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 88 | I | 27.3 | Very low | 26.3 | Very low | 150 Ų | 150 | 130.1 Ų | 130.1 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | 63.3 | 109.8 | 141.1 | -57.2 | 173.3 | 0 | 0 | 0 | 120.9 | ||||
| 89 | N | 27.4 | Very low | 26.5 | Very low | 154 Ų | 154 | 130 Ų | 130 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | trans | -77.9 | 155.6 | 134.4 | -89.1 | -28.1 | 0 | 0 | 0 | 108.5 | ||||
| 90 | P | 32.4 | Very low | 26.7 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | cis | -150.9 | -172.8 | 38 | 43.5 | -23.8 | 0 | 0 | 0 | 116.9 | ||||
| 91 | G | 22.3 | Very low | 26.7 | Very low | 68 Ų | 68 | 128.8 Ų | 128.8 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | 132.4 | 151.5 | 138.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 92 | E | 25.9 | Very low | 26.7 | Very low | 196 Ų | 196 | 124 Ų | 124 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | 66.8 | 111.7 | 151.3 | -54.7 | -165.6 | 141.4 | 0 | 0 | 122.9 | ||||
| 93 | L | 29.6 | Very low | 26.6 | Very low | 161 Ų | 161 | 125 Ų | 125 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -72.3 | 151 | 139.4 | -101.5 | 77.6 | 0 | 0 | 0 | 108.6 | ||||
| 94 | P | 28.9 | Very low | 26.7 | Very low | 105 Ų | 105 | 120.3 Ų | 120.3 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | -160.4 | 149.8 | 82.2 | 40 | -19 | 0 | 0 | 0 | 120.3 | |||||
| 95 | I | 24.8 | Very low | 26.5 | Very low | 152 Ų | 152 | 122 Ų | 122 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | 53 | 155.9 | 125 | -46.9 | 169.6 | 0 | 0 | 0 | 121.1 | |||||
| 96 | I | 27.5 | Very low | 26.4 | Very low | 170 Ų | 170 | 121 Ų | 121 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | 86.5 | 124.2 | 172.3 | -46.3 | 174.5 | 0 | 0 | 0 | 113.3 | ||||
| 97 | G | 27.8 | Very low | 26.4 | Very low | 77 Ų | 77 | 119.7 Ų | 119.7 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | cis | 174.4 | 171.2 | -4.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 98 | G | 27.5 | Very low | 26.4 | Very low | 82 Ų | 82 | 124.3 Ų | 124.3 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | cis | 173.1 | 156.2 | -5.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 99 | G | 27.5 | Very low | 26.2 | Very low | 91 Ų | 91 | 125.8 Ų | 125.8 | 94% | 0.938 | 80% | 0.796 | S | S | * | * | trans | 86.3 | 141 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 100 | G | 28.3 | Very low | 26.1 | Very low | 69 Ų | 69 | 122.8 Ų | 122.8 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | cis | -176.9 | 167.4 | -7.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 101 | S | 26.1 | Very low | 25.7 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | 22.7 | 141 | 137.1 | 54.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 102 | S | 24.6 | Very low | 25.7 | Very low | 103 Ų | 103 | 125.3 Ų | 125.3 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | cis | -173.8 | 172.7 | -6.3 | -145.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 103 | T | 25.7 | Very low | 25.6 | Very low | 122 Ų | 122 | 124.9 Ų | 124.9 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | 45.8 | 107.7 | 150.9 | 52.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 104 | A | 23 | Very low | 25.4 | Very low | 93 Ų | 93 | 122.8 Ų | 122.8 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | 72.7 | 173.4 | 113.5 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 105 | V | 27.4 | Very low | 25.2 | Very low | 143 Ų | 143 | 122.2 Ų | 122.2 | 87% | 0.867 | 75% | 0.753 | S | S | * | * | trans | 89.5 | 152.8 | 174.5 | -168.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 106 | T | 23.7 | Very low | 25.1 | Very low | 117 Ų | 117 | 123.9 Ų | 123.9 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | trans | -119.8 | 158.7 | -149.2 | 47.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 107 | S | 22.2 | Very low | 25.1 | Very low | 92 Ų | 92 | 118.1 Ų | 118.1 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | trans | 56.7 | 122.4 | 150.2 | 59.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 108 | Y | 24 | Very low | 25 | Very low | 223 Ų | 223 | 119.2 Ų | 119.2 | 88% | 0.875 | 72% | 0.715 | S | S | * | * | -163 | 178.9 | 72 | -109.2 | -90.1 | 0 | 0 | 0 | 113.3 | |||||
| 109 | H | 23.5 | Very low | 25 | Very low | 181 Ų | 181 | 122.8 Ų | 122.8 | 84% | 0.838 | 71% | 0.71 | S | S | * | * | trans | -64.4 | 168.1 | 173.9 | -96.3 | -129.5 | 0 | 0 | 0 | 113.6 | ||||
| 110 | S | 25 | Very low | 24.8 | Very low | 92 Ų | 92 | 125.6 Ų | 125.6 | 64% | 0.643 | 70% | 0.7 | S | S | * | * | cis | -160.1 | 152.1 | 22.7 | 50.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 111 | S | 23.5 | Very low | 24.7 | Very low | 99 Ų | 99 | 128.9 Ų | 128.9 | 69% | 0.692 | 70% | 0.7 | S | S | * | * | trans | 41.3 | 143.1 | 141 | 64.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 112 | Q | 23.4 | Very low | 24.6 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 67% | 0.668 | 70% | 0.699 | S | S | * | * | cis | -170.6 | 162 | 6.1 | -126.6 | 174.4 | -9.2 | 0 | 0 | 112.5 | ||||
| 113 | Y | 23.3 | Very low | 24.5 | Very low | 188 Ų | 188 | 136.8 Ų | 136.8 | 74% | 0.737 | 71% | 0.705 | S | S | * | * | trans | 65 | 149.2 | 156 | -66 | -48.9 | 0 | 0 | 0 | 121.4 | ||||
| 114 | N | 25.1 | Very low | 24.4 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 62% | 0.62 | 71% | 0.709 | S | S | * | * | cis | -168.3 | 157.7 | -25.9 | -154.1 | -4.1 | 0 | 0 | 0 | 113.1 | ||||
| 115 | L | 24.3 | Very low | 24.8 | Very low | 94 Ų | 94 | 140.9 Ų | 140.9 | 49% | 0.492 | 71% | 0.708 | S | S | . | * | trans | 58.3 | 137.4 | 160.7 | -111.9 | 63.5 | 0 | 0 | 0 | 119.5 | ||||
| 116 | K | 24.4 | Very low | 25 | Very low | 187 Ų | 187 | 140.2 Ų | 140.2 | 81% | 0.813 | 71% | 0.707 | S | S | * | * | -161.8 | -170.5 | 56.4 | -127.9 | 173.2 | -174 | 179 | 0 | 115 | |||||
| 117 | T | 26.8 | Very low | 25.2 | Very low | 48 Ų | 48 | 138.3 Ų | 138.3 | 29% | 0.294 | 71% | 0.71 | S | S | . | * | trans | -121 | 171.5 | -147.8 | -19.4 | 0 | 0 | 0 | 0 | 116.9 | D610 P611 T612 | T117-D610 PolarHBondContact OG1-OD1 2.99Å; T117-P611 HydrophobicContact CG2-CG 4.21Å; T117-T612 HydrophobicContact CG2-CG2 3.4Å; T117-T612 VanDerWaalsContact OG1-CG2 3.23Å; T117-T612 WeakPolarHBondContact OG1-CG2 2.98Å | ||
| 118 | N | 26.4 | Very low | 25.2 | Very low | 101 Ų | 101 | 143.4 Ų | 143.4 | 54% | 0.54 | 72% | 0.724 | S | S | . | * | trans | 114 | 150.9 | 152.7 | -63.7 | -57.8 | 0 | 0 | 0 | 117.5 | P611 | N118-P611 WeakPolarHBondContact OD1-CG 3.2Š| ||
| 119 | Q | 27.2 | Very low | 25.4 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | cis | -152.6 | -178.5 | 10.2 | -137.3 | 155.5 | 24 | 0 | 0 | 116.4 | ||||
| 120 | M | 23.4 | Very low | 25.4 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 74% | 0.739 | 72% | 0.716 | S | S | * | * | trans | -67.2 | 179.2 | -167.8 | -55 | 168.5 | -77.4 | 0 | 0 | 116.9 | ||||
| 121 | I | 26.6 | Very low | 25.5 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 71% | 0.708 | 72% | 0.719 | S | S | * | * | -176.8 | 139.1 | 74.3 | -83.4 | -171.4 | 0 | 0 | 0 | 115.1 | |||||
| 122 | Q | 23.3 | Very low | 25.6 | Very low | 176 Ų | 176 | 139 Ų | 139 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | trans | 60.5 | 159.1 | 147.3 | -73.2 | 174.4 | -41.2 | 0 | 0 | 129.1 | ||||
| 123 | Y | 22.4 | Very low | 25.8 | Very low | 213 Ų | 213 | 137 Ų | 137 | 84% | 0.835 | 73% | 0.733 | S | S | * | * | trans | -72.1 | -176.9 | 178.8 | -63.4 | -103.2 | 0 | 0 | 0 | 114.4 | ||||
| 124 | Q | 24 | Very low | 25.9 | Very low | 178 Ų | 178 | 135.6 Ų | 135.6 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | cis | -159.6 | 170.4 | 20.2 | -152.8 | 160.1 | -14.9 | 0 | 0 | 113.9 | ||||
| 125 | T | 30.1 | Very low | 26 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | -77 | 176.2 | 179.8 | 50.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 126 | P | 33.2 | Very low | 26.1 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 84% | 0.844 | 77% | 0.769 | S | S | * | * | cis | -149.1 | -173.7 | 23.5 | 45 | -23.6 | 0 | 0 | 0 | 119.3 | ||||
| 127 | G | 27.5 | Very low | 26.1 | Very low | 77 Ų | 77 | 145.6 Ų | 145.6 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | -172.3 | 145.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 128 | Q | 22.5 | Very low | 26.1 | Very low | 198 Ų | 198 | 151.5 Ų | 151.5 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -101.3 | 157.8 | -174.8 | -63.5 | 176.5 | -55.3 | 0 | 0 | 113.7 | ||||
| 129 | V | 28.5 | Very low | 26.1 | Very low | 139 Ų | 139 | 152.9 Ų | 152.9 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | -171.9 | 158.8 | 125.6 | 141.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 130 | T | 23.3 | Very low | 26.1 | Very low | 117 Ų | 117 | 150.1 Ų | 150.1 | 72% | 0.718 | 81% | 0.807 | S | S | * | * | trans | -55.8 | 168.1 | -173.3 | 59.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 131 | T | 26.6 | Very low | 26.4 | Very low | 113 Ų | 113 | 148.7 Ų | 148.7 | 69% | 0.693 | 81% | 0.806 | S | S | * | * | cis | -164.2 | 151.3 | 25.7 | -19.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 132 | T | 25.4 | Very low | 26.5 | Very low | 133 Ų | 133 | 145.4 Ų | 145.4 | 82% | 0.816 | 81% | 0.806 | S | S | * | * | trans | 33.2 | 112.6 | 152.4 | 51.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 133 | A | 27 | Very low | 26.8 | Very low | 101 Ų | 101 | 145.1 Ų | 145.1 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -153.5 | 148.2 | 147.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 134 | D | 26.7 | Very low | 27.2 | Very low | 159 Ų | 159 | 141.7 Ų | 141.7 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -75.3 | 131 | 174.3 | -63.4 | -88.9 | 0 | 0 | 0 | 111.9 | ||||
| 135 | Q | 26.2 | Very low | 27.4 | Very low | 190 Ų | 190 | 140.4 Ų | 140.4 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -171.2 | 103.7 | 152.4 | -109.7 | 163 | 34.8 | 0 | 0 | 111.9 | ||||
| 136 | H | 26.9 | Very low | 27.5 | Very low | 190 Ų | 190 | 138.2 Ų | 138.2 | 88% | 0.88 | 79% | 0.794 | S | S | * | * | trans | -136.2 | 43.9 | 165.4 | -109.3 | -28.1 | 0 | 0 | 0 | 112.8 | ||||
| 137 | Y | 24.4 | Very low | 27.6 | Very low | 228 Ų | 228 | 137.6 Ų | 137.6 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | trans | -100.6 | 86.4 | 161.2 | -94.4 | -79.2 | 0 | 0 | 0 | 109.7 | ||||
| 138 | H | 25.5 | Very low | 28.2 | Very low | 172 Ų | 172 | 140.7 Ų | 140.7 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | -172 | 74.1 | 160.1 | -107.7 | -67.9 | 0 | 0 | 0 | 111.8 | ||||
| 139 | T | 27.3 | Very low | 29.2 | Very low | 130 Ų | 130 | 137 Ų | 137 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | trans | -155.2 | 43.1 | 168.2 | -21.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 140 | S | 26.9 | Very low | 30.3 | Very low | 98 Ų | 98 | 132.4 Ų | 132.4 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | trans | -143.9 | 40.8 | 177.3 | 65.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 141 | V | 30.2 | Very low | 31.8 | Very low | 120 Ų | 120 | 131 Ų | 131 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -116.7 | 15.7 | 175 | -157 | 0 | 0 | 0 | 0 | 111.5 | ||
| 142 | G | 28.3 | Very low | 33.5 | Very low | 69 Ų | 69 | 127.4 Ų | 127.4 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -109.4 | -13.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 143 | E | 30 | Very low | 35.6 | Very low | 170 Ų | 170 | 121.8 Ų | 121.8 | 79% | 0.794 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -110 | 4.1 | -174 | -73.7 | -178.7 | 143.1 | 0 | 0 | 114 | ||
| 144 | L | 31.7 | Very low | 38.3 | Very low | 142 Ų | 142 | 119.8 Ų | 119.8 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -91.9 | -20.3 | 176.9 | -95 | 157.8 | 0 | 0 | 0 | 114.1 | A146 | L144-A146 VanDerWaalsContact C-N 3.28Å; L144-A146 PolarHBondContact O-N 3.18Å |
| 145 | N | 28.5 | Very low | 41.2 | Very low | 150 Ų | 150 | 115.7 Ų | 115.7 | 80% | 0.802 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -90.8 | 21.4 | -178.5 | -64.9 | 10.4 | 0 | 0 | 0 | 113.2 | ||
| 146 | A | 31.4 | Very low | 44.2 | Very low | 76 Ų | 76 | 106.6 Ų | 106.6 | 63% | 0.628 | 60% | 0.6 | S | S | * | * | trans | -103.5 | 9.8 | -174 | 0 | 0 | 0 | 0 | 0 | 114.1 | L144 | L144-A146 VanDerWaalsContact C-N 3.28Å; L144-A146 PolarHBondContact O-N 3.18Å | ||
| 147 | H | 35.7 | Very low | 47.3 | Very low | 117 Ų | 117 | 102 Ų | 102 | 54% | 0.542 | 58% | 0.575 | S | S | . | * | trans | -104.5 | -0.2 | -166.9 | -144.2 | -51.8 | 0 | 0 | 0 | 115.6 | V149 | H147-V149 PolarHBondContact O-N 3.37Š| ||
| 148 | D | 39.1 | Very low | 50.5 | Low | 143 Ų | 143 | 96.1 Ų | 96.1 | 77% | 0.765 | 55% | 0.554 | S | S | * | * | trans | -80.5 | 3.3 | 177 | -70.4 | -24.9 | 0 | 0 | 0 | 114.1 | V150 | D148-V150 VanDerWaalsContact C-N 3.31Å; D148-V150 PolarHBondContact O-N 3.14Å | ||
| 149 | V | 44.4 | Very low | 53.7 | Low | 121 Ų | 121 | 87.9 Ų | 87.9 | 73% | 0.733 | 52% | 0.516 | S | S | * | . | trans | -70 | 91.1 | 168.6 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | H147 S151 | H147-V149 PolarHBondContact O-N 3.37Å; V149-S151 PolarHBondContact O-N 3.35Å | ||
| 150 | V | 51.7 | Low | 56.9 | Low | 41 Ų | 41 | 82.2 Ų | 82.2 | 25% | 0.248 | 48% | 0.481 | C | S | . | . | trans | -58 | 105.5 | 164.6 | 179.2 | 0 | 0 | 0 | 0 | 107.3 | D148 D152 W382 | D148-V150 VanDerWaalsContact C-N 3.31Å; D148-V150 PolarHBondContact O-N 3.14Å; V150-D152 PolarHBondContact O-N 2.79Å; V150-W382 HydrophobicContact CG2-CZ2 4.24Å | ||
| 151 | S | 53.5 | Low | 60.1 | Low | 88 Ų | 88 | 81.9 Ų | 81.9 | 62% | 0.615 | 47% | 0.471 | S | S | * | . | trans | -68.2 | 115.1 | -178.5 | 61.8 | 0 | 0 | 0 | 0 | 109.9 | V149 G153 | V149-S151 PolarHBondContact O-N 3.35Å; S151-G153 PolarHBondContact O-N 3.43Å | ||
| 152 | D | 62.3 | Low | 63.1 | Low | 37 Ų | 37 | 76.2 Ų | 76.2 | 20% | 0.198 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -64.4 | 77.2 | 173.2 | -83.6 | -4.8 | 0 | 0 | 0 | 110.8 | V150 F323 Q324 Q325 K326 | V150-D152 PolarHBondContact O-N 2.79Å; D152-F323 HydrophobicContact CB-CD1 3.93Å; D152-F323 HydrophobicContact CB-CE1 4.48Å; D152-F323 WeakPolarHBondContact OD1-CA 3.39Å; D152-Q324 PolarHBondContact OD1-N 3.27Å; D152-Q325 WeakPolarHBondContact OD2-CA 3.47Å; D152-Q325 VanDerWaalsContact OD2-CB 3.31Å; D152-Q325 WeakPolarHBondContact OD2-CB 3.37Å; D152-Q325 PolarHBondContact OD2-N 3.5Å; D152-K326 PolarHBondContact OD2-N 3.34Å |
| 153 | G | 69.8 | Low | 66.3 | Low | 15 Ų | 15 | 72.9 Ų | 72.9 | 16% | 0.155 | 40% | 0.403 | C | S | . | . | trans | 172.3 | -162.9 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | S151 W155 G156 | S151-G153 PolarHBondContact O-N 3.43Å; G153-W155 PolarHBondContact O-N 3.46Å; G153-G156 PolarHBondContact O-N 3.03Å | ||
| 154 | G | 83.6 | Confident | 69.4 | Low | 59 Ų | 59 | 67.3 Ų | 67.3 | 61% | 0.608 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | -130.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | G156 W157 | G154-G156 PolarHBondContact O-N 3.17Å; G154-W157 PolarHBondContact O-N 3.19Å |
| 155 | W | 87.6 | Confident | 72.4 | Confident | 73 Ų | 73 | 62.2 Ų | 62.2 | 28% | 0.277 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -17.5 | -174.7 | -166.6 | -87.1 | 0 | 0 | 0 | 113.6 | G153 W157 F158 V159 W322 L378 | G153-W155 PolarHBondContact O-N 3.46Å; W155-W157 PolarHBondContact O-N 2.92Å; W155-F158 HydrophobicContact CD2-CB 4.3Å; W155-F158 HydrophobicContact CE3-CD2 4.26Å; W155-F158 WeakPolarHBondContact O-CB 3.39Å; W155-F158 PolarHBondContact O-N 3.19Å; W155-V159 PolarHBondContact O-N 3.22Å; W155-V159 VanDerWaalsContact O-N 3.17Å; W155-W322 HydrophobicContact CB-CH2 3.7Å; W155-W322 HydrophobicContact CB-CZ3 3.72Å; W155-W322 AromaticContact CD1-CH2 3.56Å; W155-W322 AromaticContact CD1-CZ2 3.86Å; W155-W322 AromaticContact CG-CH2 3.98Å; W155-W322 HydrophobicContact CG-CH2 3.98Å; W155-W322 HydrophobicContact CG-CZ3 4.44Å; W155-L378 HydrophobicContact CZ2-CD2 4.2Å; W155-L378 PolarHBondContact NE1-O 3.29Å; W155-L378 VanDerWaalsContact NE1-O 3.07Å |
| 156 | G | 89.1 | Confident | 75.6 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.1 | -36.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G153 G154 F158 V159 V160 W322 | G153-G156 PolarHBondContact O-N 3.03Å; G154-G156 PolarHBondContact O-N 3.17Å; G156-F158 VanDerWaalsContact C-N 3.34Å; G156-F158 PolarHBondContact O-N 2.94Å; G156-V159 WeakPolarHBondContact O-CB 3.29Å; G156-V159 PolarHBondContact O-N 2.91Å; G156-V159 VanDerWaalsContact O-N 3.15Å; G156-V160 WeakPolarHBondContact O-CG2 3.36Å; G156-V160 PolarHBondContact O-N 3.37Å; G156-W322 VanDerWaalsContact CA-CE3 3.42Å; G156-W322 VanDerWaalsContact N-CE3 3.34Å |
| 157 | W | 92 | Very high | 78.6 | Confident | 94 Ų | 94 | 51.4 Ų | 51.4 | 36% | 0.356 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.8 | -28.9 | 176.4 | -69.4 | 115.5 | 0 | 0 | 0 | 113.6 | G154 W155 V160 L161 F323 L329 L333 | G154-W157 PolarHBondContact O-N 3.19Å; W155-W157 PolarHBondContact O-N 2.92Å; W157-V160 HydrophobicContact CE3-CB 4.22Å; W157-V160 HydrophobicContact CE3-CG1 4.26Å; W157-V160 HydrophobicContact CE3-CG2 4.18Å; W157-V160 HydrophobicContact CZ3-CG1 4.39Å; W157-V160 HydrophobicContact CZ3-CG2 4.44Å; W157-V160 PolarHBondContact O-N 3.08Å; W157-L161 WeakPolarHBondContact O-CB 3.47Å; W157-L161 PolarHBondContact O-N 3.05Å; W157-F323 HydrophobicContact CD2-CE1 4.17Å; W157-F323 AromaticContact CD2-CZ 3.78Å; W157-F323 HydrophobicContact CD2-CZ 3.78Å; W157-F323 AromaticContact CE2-CE1 3.67Å; W157-F323 AromaticContact CE2-CZ 3.79Å; W157-F323 HydrophobicContact CE3-CZ 4.11Å; W157-F323 HydrophobicContact CG-CZ 4.16Å; W157-F323 HydrophobicContact CH2-CE1 4.26Å; W157-F323 HydrophobicContact CH2-CZ 4.43Å; W157-F323 AromaticContact CZ2-CE1 3.73Å; W157-F323 HydrophobicContact CZ2-CE1 3.73Å; W157-F323 HydrophobicContact CZ2-CZ 4.14Å; W157-F323 HydrophobicContact CZ3-CZ 4.41Å; W157-F323 AromaticContact NE1-CE1 3.92Å; W157-L329 HydrophobicContact CH2-CD2 4.31Å; W157-L333 HydrophobicContact CH2-CD1 4.14Å; W157-L333 HydrophobicContact CZ3-CD1 3.73Å |
| 158 | F | 92.4 | Very high | 81.4 | Confident | 103 Ų | 103 | 46.8 Ų | 46.8 | 45% | 0.452 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -73.2 | -30.1 | 171.5 | -71.4 | -85.9 | 0 | 0 | 0 | 112 | W155 G156 G162 L378 | W155-F158 HydrophobicContact CD2-CB 4.3Å; W155-F158 HydrophobicContact CE3-CD2 4.26Å; W155-F158 WeakPolarHBondContact O-CB 3.39Å; W155-F158 PolarHBondContact O-N 3.19Å; G156-F158 VanDerWaalsContact C-N 3.34Å; G156-F158 PolarHBondContact O-N 2.94Å; F158-G162 PolarHBondContact O-N 3.44Å; F158-L378 HydrophobicContact CB-CD2 4.47Å |
| 159 | V | 92.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.8 | -42.7 | 170.9 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | W155 G156 L161 G162 S163 V319 W322 F379 | W155-V159 PolarHBondContact O-N 3.22Å; W155-V159 VanDerWaalsContact O-N 3.17Å; G156-V159 WeakPolarHBondContact O-CB 3.29Å; G156-V159 PolarHBondContact O-N 2.91Å; G156-V159 VanDerWaalsContact O-N 3.15Å; V159-L161 VanDerWaalsContact C-N 3.35Å; V159-L161 PolarHBondContact O-N 2.86Å; V159-G162 PolarHBondContact O-N 3.42Å; V159-S163 VanDerWaalsContact O-CB 3.31Å; V159-S163 WeakPolarHBondContact O-CB 3.44Å; V159-S163 PolarHBondContact O-N 3.25Å; V159-V319 HydrophobicContact CG1-CG2 4.15Å; V159-W322 HydrophobicContact CG2-CD2 4.37Å; V159-W322 HydrophobicContact CG2-CZ2 4.1Å; V159-F379 HydrophobicContact CG1-CD1 4.07Å; V159-F379 HydrophobicContact CG1-CE1 4.46Å |
| 160 | V | 93.9 | Very high | 86.5 | Confident | 10 Ų | 10 | 36 Ų | 36 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57 | -46.3 | 171.7 | 170.9 | 0 | 0 | 0 | 0 | 111 | G156 W157 S163 F164 V319 F323 A330 L333 A334 | G156-V160 WeakPolarHBondContact O-CG2 3.36Å; G156-V160 PolarHBondContact O-N 3.37Å; W157-V160 HydrophobicContact CE3-CB 4.22Å; W157-V160 HydrophobicContact CE3-CG1 4.26Å; W157-V160 HydrophobicContact CE3-CG2 4.18Å; W157-V160 HydrophobicContact CZ3-CG1 4.39Å; W157-V160 HydrophobicContact CZ3-CG2 4.44Å; W157-V160 PolarHBondContact O-N 3.08Å; V160-S163 PolarHBondContact O-N 3.21Å; V160-F164 WeakPolarHBondContact O-CB 3.45Å; V160-F164 PolarHBondContact O-N 3.41Å; V160-V319 HydrophobicContact CG2-CG1 3.69Å; V160-V319 HydrophobicContact CG2-CG2 4.14Å; V160-F323 HydrophobicContact CG2-CE2 3.65Å; V160-F323 HydrophobicContact CG2-CZ 4.19Å; V160-A330 HydrophobicContact CG2-CB 4.04Å; V160-L333 HydrophobicContact CG1-CB 4.08Å; V160-A334 HydrophobicContact CG1-CB 4.4Å |
| 161 | L | 94.1 | Very high | 88.4 | Confident | 92 Ų | 92 | 34.2 Ų | 34.2 | 48% | 0.482 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.9 | -45.4 | 177.3 | -179.6 | 62 | 0 | 0 | 0 | 112.4 | W157 V159 S163 F164 C165 | W157-L161 WeakPolarHBondContact O-CB 3.47Å; W157-L161 PolarHBondContact O-N 3.05Å; V159-L161 VanDerWaalsContact C-N 3.35Å; V159-L161 PolarHBondContact O-N 2.86Å; L161-S163 VanDerWaalsContact C-N 3.3Å; L161-S163 PolarHBondContact O-N 3.5Å; L161-F164 PolarHBondContact O-N 3.38Å; L161-C165 PolarHBondContact O-N 3.07Å; L161-C165 PolarHBondContact O-SG 2.78Å; L161-C165 VanDerWaalsContact O-SG 3.4Å |
| 162 | G | 93.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.4 | -40.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F158 V159 C165 C166 | F158-G162 PolarHBondContact O-N 3.44Å; V159-G162 PolarHBondContact O-N 3.42Å; G162-C165 PolarHBondContact O-N 3.27Å; G162-C166 PolarHBondContact O-N 3.47Å; G162-C166 PolarHBondContact O-SG 2.92Å |
| 163 | S | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.9 | -45.9 | 177.8 | -178.1 | 0 | 0 | 0 | 0 | 111.9 | V159 V160 L161 C165 C166 M167 A315 | V159-S163 VanDerWaalsContact O-CB 3.31Å; V159-S163 WeakPolarHBondContact O-CB 3.44Å; V159-S163 PolarHBondContact O-N 3.25Å; V160-S163 PolarHBondContact O-N 3.21Å; L161-S163 VanDerWaalsContact C-N 3.3Å; L161-S163 PolarHBondContact O-N 3.5Å; S163-C165 VanDerWaalsContact C-N 3.35Å; S163-C165 PolarHBondContact O-N 3.16Å; S163-C166 WeakPolarHBondContact O-CB 3.26Å; S163-C166 PolarHBondContact O-N 2.72Å; S163-C166 VanDerWaalsContact O-N 3.09Å; S163-M167 WeakPolarHBondContact O-CG 3.42Å; S163-M167 PolarHBondContact O-N 3.36Å; S163-A315 WeakPolarHBondContact CB-O 3.3Å; S163-A315 PolarHBondContact OG-O 3.31Å |
| 164 | F | 95.3 | Very high | 93.1 | Very high | 52 Ų | 52 | 28.1 Ų | 28.1 | 23% | 0.228 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -52.7 | -50.4 | 172.4 | 173.2 | -93.3 | 0 | 0 | 0 | 111.5 | V160 L161 C166 M167 V168 L333 C336 G337 M340 | V160-F164 WeakPolarHBondContact O-CB 3.45Å; V160-F164 PolarHBondContact O-N 3.41Å; L161-F164 PolarHBondContact O-N 3.38Å; F164-C166 VanDerWaalsContact C-N 3.32Å; F164-C166 PolarHBondContact O-N 3.48Å; F164-M167 PolarHBondContact O-N 2.91Å; F164-V168 HydrophobicContact CD1-CG2 4.26Å; F164-V168 HydrophobicContact CE1-CG2 3.95Å; F164-V168 HydrophobicContact CZ-CG2 4.16Å; F164-V168 WeakPolarHBondContact O-CG2 3.47Å; F164-V168 PolarHBondContact O-N 2.83Å; F164-L333 WeakPolarHBondContact CD2-O 3.49Å; F164-C336 HydrophobicContact CD2-CB 4.44Å; F164-C336 HydrophobicContact CE2-CB 4.2Å; F164-G337 VanDerWaalsContact CD2-N 3.27Å; F164-G337 VanDerWaalsContact CE2-CA 3.48Å; F164-M340 HydrophobicContact CE2-CB 4.34Å; F164-M340 HydrophobicContact CZ-CB 3.97Å; F164-M340 HydrophobicContact CZ-CG 3.98Å |
| 165 | C | 95.5 | Very high | 93.5 | Very high | 35 Ų | 35 | 26 Ų | 26 | 24% | 0.236 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.4 | -30.6 | 178.6 | -65.8 | 0 | 0 | 0 | 0 | 113.2 | L161 G162 S163 L375 | L161-C165 PolarHBondContact O-N 3.07Å; L161-C165 PolarHBondContact O-SG 2.78Å; L161-C165 VanDerWaalsContact O-SG 3.4Å; G162-C165 PolarHBondContact O-N 3.27Å; S163-C165 VanDerWaalsContact C-N 3.35Å; S163-C165 PolarHBondContact O-N 3.16Å; C165-L375 HydrophobicContact CB-CD1 3.54Å; C165-L375 HydrophobicContact CB-CD2 3.97Å; C165-L375 HydrophobicContact CB-CG 4.34Å |
| 166 | C | 95.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68 | -44.1 | 170.4 | -66.2 | 0 | 0 | 0 | 0 | 111.5 | G162 S163 F164 V168 L169 V170 I311 A315 | G162-C166 PolarHBondContact O-N 3.47Å; G162-C166 PolarHBondContact O-SG 2.92Å; S163-C166 WeakPolarHBondContact O-CB 3.26Å; S163-C166 PolarHBondContact O-N 2.72Å; S163-C166 VanDerWaalsContact O-N 3.09Å; F164-C166 VanDerWaalsContact C-N 3.32Å; F164-C166 PolarHBondContact O-N 3.48Å; C166-V168 VanDerWaalsContact C-N 3.34Å; C166-V168 PolarHBondContact O-N 3.34Å; C166-L169 PolarHBondContact O-N 3.34Å; C166-L169 VanDerWaalsContact O-N 3.11Å; C166-V170 WeakPolarHBondContact O-CG2 3.43Å; C166-V170 PolarHBondContact O-N 3.16Å; C166-I311 HydrophobicContact CB-CG2 3.99Å; C166-A315 HydrophobicContact CB-CB 4.12Å |
| 167 | M | 94.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.5 | -36.2 | 177.6 | -70 | -69.7 | 130.2 | 0 | 0 | 112.8 | S163 F164 L169 D171 Y312 A315 I316 L335 | S163-M167 WeakPolarHBondContact O-CG 3.42Å; S163-M167 PolarHBondContact O-N 3.36Å; F164-M167 PolarHBondContact O-N 2.91Å; M167-L169 PolarHBondContact O-N 3.11Å; M167-D171 PolarHBondContact O-N 3.05Å; M167-Y312 HydrophobicContact CE-CD2 3.53Å; M167-Y312 HydrophobicContact CE-CE2 3.97Å; M167-Y312 HydrophobicContact CE-CG 4.16Å; M167-Y312 WeakPolarHBondContact CE-O 3.36Å; M167-Y312 HydrophobicContact SD-CD2 3.88Å; M167-Y312 HydrophobicContact SD-CE2 3.82Å; M167-A315 HydrophobicContact CE-CB 3.65Å; M167-I316 HydrophobicContact CE-CD1 3.92Å; M167-I316 HydrophobicContact CE-CG1 3.72Å; M167-I316 HydrophobicContact SD-CD1 4.19Å; M167-I316 HydrophobicContact SD-CG1 4.22Å; M167-L335 HydrophobicContact SD-CD2 4.38Å |
| 168 | V | 95.6 | Very high | 94.1 | Very high | 20 Ų | 20 | 18.1 Ų | 18.1 | 12% | 0.121 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -54.4 | -39 | 171.3 | 166.9 | 0 | 0 | 0 | 0 | 111.8 | F164 C166 G172 G337 M340 G341 I344 | F164-V168 HydrophobicContact CD1-CG2 4.26Å; F164-V168 HydrophobicContact CE1-CG2 3.95Å; F164-V168 HydrophobicContact CZ-CG2 4.16Å; F164-V168 WeakPolarHBondContact O-CG2 3.47Å; F164-V168 PolarHBondContact O-N 2.83Å; C166-V168 VanDerWaalsContact C-N 3.34Å; C166-V168 PolarHBondContact O-N 3.34Å; V168-G172 WeakPolarHBondContact O-CA 3.21Å; V168-G172 PolarHBondContact O-N 3.03Å; V168-G337 VanDerWaalsContact CA-O 3.24Å; V168-G337 WeakPolarHBondContact CA-O 2.88Å; V168-G337 VanDerWaalsContact CG2-O 3.26Å; V168-G337 WeakPolarHBondContact CG2-O 3.34Å; V168-G337 PolarHBondContact N-O 3.41Å; V168-M340 HydrophobicContact CG2-CB 4.04Å; V168-M340 HydrophobicContact CG2-CG 4.13Å; V168-G341 WeakPolarHBondContact O-CA 3.17Å; V168-I344 HydrophobicContact CG1-CD1 4.16Å |
| 169 | L | 94.5 | Very high | 94.1 | Very high | 35 Ų | 35 | 13.2 Ų | 13.2 | 18% | 0.183 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -90.1 | -42.7 | -175.2 | -64.5 | 174.2 | 0 | 0 | 0 | 112.6 | C166 M167 I173 V368 C372 | C166-L169 PolarHBondContact O-N 3.34Å; C166-L169 VanDerWaalsContact O-N 3.11Å; M167-L169 PolarHBondContact O-N 3.11Å; L169-I173 WeakPolarHBondContact O-CB 3.39Å; L169-I173 WeakPolarHBondContact O-CD1 3.07Å; L169-I173 VanDerWaalsContact O-CG1 3.25Å; L169-I173 WeakPolarHBondContact O-CG1 3.21Å; L169-I173 PolarHBondContact O-N 3.22Å; L169-I173 VanDerWaalsContact O-N 3.07Å; L169-V368 HydrophobicContact CD1-CG1 3.88Å; L169-V368 HydrophobicContact CD2-CG1 3.49Å; L169-V368 VanDerWaalsContact CD2-CG1 3.49Å; L169-V368 HydrophobicContact CG-CG1 4.35Å; L169-C372 WeakPolarHBondContact CD1-SG 3.4Å |
| 170 | V | 95 | Very high | 94.1 | Very high | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.012 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.3 | -63.1 | 178.9 | 174.3 | 0 | 0 | 0 | 0 | 111 | C166 G172 C174 L308 I311 Y312 | C166-V170 WeakPolarHBondContact O-CG2 3.43Å; C166-V170 PolarHBondContact O-N 3.16Å; V170-G172 VanDerWaalsContact C-N 3.32Å; V170-G172 PolarHBondContact O-N 2.83Å; V170-C174 WeakPolarHBondContact O-CB 3.16Å; V170-C174 PolarHBondContact O-N 3.15Å; V170-C174 PolarHBondContact O-SG 3.12Å; V170-L308 HydrophobicContact CB-CD2 4.34Å; V170-L308 HydrophobicContact CG1-CB 4.33Å; V170-L308 HydrophobicContact CG1-CD2 4.28Å; V170-L308 HydrophobicContact CG2-CD2 3.98Å; V170-I311 HydrophobicContact CG2-CB 4.05Å; V170-I311 HydrophobicContact CG2-CG2 3.78Å; V170-Y312 HydrophobicContact CG1-CD2 4.02Å |
| 171 | D | 92.6 | Very high | 93.9 | Very high | 4 Ų | 4 | 13.1 Ų | 13.1 | 2% | 0.021 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -72.6 | -29.3 | -177.4 | -84.8 | -8.5 | 0 | 0 | 0 | 111.3 | M167 C174 F175 Y253 S338 | M167-D171 PolarHBondContact O-N 3.05Å; D171-C174 PolarHBondContact O-N 3.34Å; D171-F175 HydrophobicContact CB-CD2 3.84Å; D171-F175 HydrophobicContact CB-CE2 3.69Å; D171-F175 WeakPolarHBondContact O-CB 3.38Å; D171-F175 WeakPolarHBondContact O-CD2 3.45Å; D171-F175 PolarHBondContact O-N 3.21Å; D171-Y253 VanDerWaalsContact OD1-CZ 3.28Å; D171-Y253 PolarHBondContact OD1-OH 3.35Å; D171-S338 VanDerWaalsContact CB-CB 3.41Å; D171-S338 WeakPolarHBondContact OD2-CB 3.31Å |
| 172 | G | 93.5 | Very high | 93.4 | Very high | 5 Ų | 5 | 9.6 Ų | 9.6 | 5% | 0.052 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -60.9 | -47.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V168 V170 T176 | V168-G172 WeakPolarHBondContact O-CA 3.21Å; V168-G172 PolarHBondContact O-N 3.03Å; V170-G172 VanDerWaalsContact C-N 3.32Å; V170-G172 PolarHBondContact O-N 2.83Å; G172-T176 WeakPolarHBondContact O-CB 3.25Å; G172-T176 VanDerWaalsContact O-CG2 3.31Å; G172-T176 WeakPolarHBondContact O-CG2 3.33Å; G172-T176 PolarHBondContact O-N 2.99Å; G172-T176 PolarHBondContact O-OG1 3.03Å |
| 173 | I | 94.4 | Very high | 92.5 | Very high | 6 Ų | 6 | 10.1 Ų | 10.1 | 3% | 0.031 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -65.6 | -47.1 | 176.4 | -69.9 | 169.5 | 0 | 0 | 0 | 110.4 | L169 T176 Y177 L284 F300 L365 C369 | L169-I173 WeakPolarHBondContact O-CB 3.39Å; L169-I173 WeakPolarHBondContact O-CD1 3.07Å; L169-I173 VanDerWaalsContact O-CG1 3.25Å; L169-I173 WeakPolarHBondContact O-CG1 3.21Å; L169-I173 PolarHBondContact O-N 3.22Å; L169-I173 VanDerWaalsContact O-N 3.07Å; I173-T176 PolarHBondContact O-N 2.84Å; I173-Y177 PolarHBondContact O-N 3.13Å; I173-L284 HydrophobicContact CD1-CD1 4.13Å; I173-F300 HydrophobicContact CG2-CZ 4.34Å; I173-L365 HydrophobicContact CD1-CD2 4.22Å; I173-L365 HydrophobicContact CG1-CD1 4.39Å; I173-L365 HydrophobicContact CG1-CD2 3.98Å; I173-C369 WeakPolarHBondContact CD1-SG 3.3Å |
| 174 | C | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -55.7 | -53.7 | 179.3 | -83.8 | 0 | 0 | 0 | 0 | 113.3 | V170 D171 T176 V250 Y253 | V170-C174 WeakPolarHBondContact O-CB 3.16Å; V170-C174 PolarHBondContact O-N 3.15Å; V170-C174 PolarHBondContact O-SG 3.12Å; D171-C174 PolarHBondContact O-N 3.34Å; C174-T176 VanDerWaalsContact C-N 3.34Å; C174-T176 PolarHBondContact O-N 3.04Å; C174-V250 HydrophobicContact CB-CG2 3.8Å; C174-Y253 HydrophobicContact CB-CE1 4.22Å; C174-Y253 VanDerWaalsContact SG-CD1 3.59Å; C174-Y253 VanDerWaalsContact SG-CE1 3.55Å |
| 175 | F | 93.2 | Very high | 90 | Very high | 14 Ų | 14 | 11.8 Ų | 11.8 | 6% | 0.061 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -81.8 | -7.9 | -175.4 | -62.5 | -48.9 | 0 | 0 | 0 | 114.3 | D171 C342 F1176 | D171-F175 HydrophobicContact CB-CD2 3.84Å; D171-F175 HydrophobicContact CB-CE2 3.69Å; D171-F175 WeakPolarHBondContact O-CB 3.38Å; D171-F175 WeakPolarHBondContact O-CD2 3.45Å; D171-F175 PolarHBondContact O-N 3.21Å; F175-C342 VanDerWaalsContact CB-SG 3.58Å; F175-F1176 HydrophobicContact CB-CB 4.2Å; F175-F1176 HydrophobicContact CB-CD1 3.73Å; F175-F1176 HydrophobicContact CB-CE1 4.26Å; F175-F1176 HydrophobicContact CB-CG 4Å; F175-F1176 HydrophobicContact CD1-CB 4.17Å; F175-F1176 HydrophobicContact CD1-CD1 4.28Å; F175-F1176 AromaticContact CD1-CD2 3.83Å; F175-F1176 HydrophobicContact CD1-CD2 3.83Å; F175-F1176 HydrophobicContact CD1-CE2 4.26Å; F175-F1176 AromaticContact CD1-CG 3.84Å; F175-F1176 HydrophobicContact CD1-CG 3.84Å; F175-F1176 HydrophobicContact CE1-CD2 4.27Å; F175-F1176 HydrophobicContact CE1-CE2 4.43Å; F175-F1176 HydrophobicContact CG-CD1 4.08Å; F175-F1176 HydrophobicContact CG-CD2 4.4Å; F175-F1176 HydrophobicContact CG-CE1 4.31Å; F175-F1176 HydrophobicContact CG-CG 4.11Å |
| 176 | T | 94.5 | Very high | 88.3 | Confident | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.012 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -104 | 1.7 | 174.4 | 62.3 | 0 | 0 | 0 | 0 | 114.4 | G172 I173 C174 G178 L179 I1197 | G172-T176 WeakPolarHBondContact O-CB 3.25Å; G172-T176 VanDerWaalsContact O-CG2 3.31Å; G172-T176 WeakPolarHBondContact O-CG2 3.33Å; G172-T176 PolarHBondContact O-N 2.99Å; G172-T176 PolarHBondContact O-OG1 3.03Å; I173-T176 PolarHBondContact O-N 2.84Å; C174-T176 VanDerWaalsContact C-N 3.34Å; C174-T176 PolarHBondContact O-N 3.04Å; T176-G178 PolarHBondContact O-N 3.09Å; T176-G178 VanDerWaalsContact O-N 3.11Å; T176-L179 HydrophobicContact CG2-CD1 4.49Å; T176-L179 WeakPolarHBondContact O-CB 3.48Å; T176-L179 PolarHBondContact O-N 2.82Å; T176-I1197 HydrophobicContact CG2-CG2 4.13Å |
| 177 | Y | 94.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -52 | -34.6 | 174.1 | 177.2 | -96.4 | 0 | 0 | 0 | 113.5 | I173 L179 L180 I181 L242 P245 F296 F300 L1177 | I173-Y177 PolarHBondContact O-N 3.13Å; Y177-L179 PolarHBondContact O-N 3.49Å; Y177-L179 VanDerWaalsContact O-N 3.1Å; Y177-L180 HydrophobicContact CD2-CD1 4.22Å; Y177-L180 WeakPolarHBondContact O-CB 3.48Å; Y177-L180 PolarHBondContact O-N 2.93Å; Y177-I181 HydrophobicContact CD1-CD1 4.37Å; Y177-I181 HydrophobicContact CE1-CD1 3.85Å; Y177-I181 HydrophobicContact CE1-CG1 4.1Å; Y177-I181 PolarHBondContact O-N 3.23Å; Y177-L242 WeakPolarHBondContact CE1-O 3.01Å; Y177-L242 PolarHBondContact OH-O 2.98Å; Y177-P245 HydrophobicContact CE2-CB 4.22Å; Y177-P245 WeakPolarHBondContact OH-CG 3.33Å; Y177-F296 HydrophobicContact CE2-CE1 4.16Å; Y177-F296 HydrophobicContact CE2-CZ 4.46Å; Y177-F300 HydrophobicContact CD2-CD1 4.18Å; Y177-F300 AromaticContact CD2-CE1 3.31Å; Y177-F300 HydrophobicContact CD2-CE1 3.31Å; Y177-F300 AromaticContact CD2-CZ 3.6Å; Y177-F300 HydrophobicContact CD2-CZ 3.6Å; Y177-F300 AromaticContact CE2-CD1 3.99Å; Y177-F300 HydrophobicContact CE2-CD1 3.99Å; Y177-F300 AromaticContact CE2-CE1 3.59Å; Y177-F300 HydrophobicContact CE2-CE1 3.59Å; Y177-F300 HydrophobicContact CE2-CZ 4.13Å; Y177-F300 HydrophobicContact CG-CE1 4.27Å; Y177-L1177 HydrophobicContact CD1-CD2 4.17Å; Y177-L1177 HydrophobicContact CD1-CG 4.38Å |
| 178 | G | 91.1 | Very high | 84.2 | Confident | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.3 | -22.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | T176 | T176-G178 PolarHBondContact O-N 3.09Å; T176-G178 VanDerWaalsContact O-N 3.11Å |
| 179 | L | 93.8 | Very high | 81.4 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -84.1 | -27 | 174.6 | -63.6 | 168.3 | 0 | 0 | 0 | 112.5 | T176 Y177 I181 N182 I349 P350 P1180 L1190 I1197 | T176-L179 HydrophobicContact CG2-CD1 4.49Å; T176-L179 WeakPolarHBondContact O-CB 3.48Å; T176-L179 PolarHBondContact O-N 2.82Å; Y177-L179 PolarHBondContact O-N 3.49Å; Y177-L179 VanDerWaalsContact O-N 3.1Å; L179-I181 PolarHBondContact O-N 2.83Å; L179-N182 PolarHBondContact O-N 3.25Å; L179-N182 VanDerWaalsContact O-N 3.15Å; L179-I349 HydrophobicContact CB-CB 4.36Å; L179-I349 HydrophobicContact CB-CG2 3.7Å; L179-I349 HydrophobicContact CD1-CB 4.38Å; L179-P350 HydrophobicContact CD1-CG 4.06Å; L179-P350 HydrophobicContact CD2-CG 4.38Å; L179-P1180 HydrophobicContact CD2-CB 4.4Å; L179-P1180 HydrophobicContact CD2-CG 3.79Å; L179-P1180 HydrophobicContact CG-CG 4.33Å; L179-L1190 HydrophobicContact CD2-CD1 3.97Å; L179-I1197 HydrophobicContact CD1-CD1 3.94Å; L179-I1197 HydrophobicContact CD2-CD1 4.01Å; L179-I1197 HydrophobicContact CG-CD1 3.81Å |
| 180 | L | 92.8 | Very high | 78.7 | Confident | 6 Ų | 6 | 25.1 Ų | 25.1 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69.5 | -22.9 | 174.8 | -65.2 | 174.7 | 0 | 0 | 0 | 112.6 | Y177 N182 F300 I349 V353 T361 L362 | Y177-L180 HydrophobicContact CD2-CD1 4.22Å; Y177-L180 WeakPolarHBondContact O-CB 3.48Å; Y177-L180 PolarHBondContact O-N 2.93Å; L180-N182 PolarHBondContact O-N 3.47Å; L180-F300 HydrophobicContact CD1-CZ 4.49Å; L180-I349 HydrophobicContact CD2-CG2 3.76Å; L180-I349 HydrophobicContact CG-CG2 4.17Å; L180-V353 HydrophobicContact CD2-CG2 4.03Å; L180-T361 HydrophobicContact CD2-CG2 3.64Å; L180-L362 HydrophobicContact CD1-CD2 4.12Å |
| 181 | I | 89.7 | Confident | 75.8 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -26.2 | 171.1 | -73.3 | 176.8 | 0 | 0 | 0 | 111.8 | Y177 L179 S228 L230 L242 L243 | Y177-I181 HydrophobicContact CD1-CD1 4.37Å; Y177-I181 HydrophobicContact CE1-CD1 3.85Å; Y177-I181 HydrophobicContact CE1-CG1 4.1Å; Y177-I181 PolarHBondContact O-N 3.23Å; L179-I181 PolarHBondContact O-N 2.83Å; I181-S228 WeakPolarHBondContact O-CA 3.43Å; I181-S228 WeakPolarHBondContact O-CB 3.5Å; I181-L230 HydrophobicContact CG1-CD2 4.11Å; I181-L242 HydrophobicContact CD1-CD2 4.46Å; I181-L242 HydrophobicContact CD1-CG 4.48Å; I181-L242 HydrophobicContact CG1-CD2 4.15Å; I181-L242 HydrophobicContact CG1-CG 4.32Å; I181-L242 HydrophobicContact CG2-CD2 3.84Å; I181-L243 HydrophobicContact CD1-CD2 3.7Å; I181-L243 HydrophobicContact CD1-CG 4.42Å |
| 182 | N | 82.9 | Confident | 73 | Confident | 18 Ų | 18 | 39.5 Ų | 39.5 | 10% | 0.096 | 21% | 0.207 | C | C | . | . | trans | 42 | 73.6 | -175.2 | -166.5 | 8.6 | 0 | 0 | 0 | 114.1 | L179 L180 I184 E229 V353 | L179-N182 PolarHBondContact O-N 3.25Å; L179-N182 VanDerWaalsContact O-N 3.15Å; L180-N182 PolarHBondContact O-N 3.47Å; N182-I184 PolarHBondContact O-N 3.35Å; N182-E229 HydrophobicContact CB-CB 4.15Å; N182-E229 PolarHBondContact ND2-OE2 3.42Å; N182-E229 PolarHBondContact O-N 3.49Å; N182-V353 HydrophobicContact CB-CG1 4.2Å | ||
| 183 | P | 74.5 | Confident | 70 | Confident | 10 Ų | 10 | 44.9 Ų | 44.9 | 7% | 0.065 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 106.3 | 178 | 29.6 | -33.5 | 0 | 0 | 0 | 111.7 | P226 I227 P1180 D1181 A1184 | P183-P226 HydrophobicContact CB-CB 3.86Å; P183-I227 CarbonylContact C-O 3.48Å; P183-I227 WeakPolarHBondContact CA-O 3.36Å; P183-P1180 HydrophobicContact CG-CB 3.56Å; P183-D1181 WeakPolarHBondContact CB-OD1 3.4Å; P183-A1184 HydrophobicContact CB-CB 3.84Å; P183-A1184 HydrophobicContact CG-CB 4.19Å; P183-A1184 WeakPolarHBondContact O-CB 3.44Å |
| 184 | I | 70.2 | Confident | 66.9 | Low | 78 Ų | 78 | 48.8 Ų | 48.8 | 40% | 0.4 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 136.9 | 179.6 | -60.1 | 168 | 0 | 0 | 0 | 109.6 | N182 P186 I227 | N182-I184 PolarHBondContact O-N 3.35Å; I184-P186 WeakPolarHBondContact O-CD 3.48Å; I184-I227 PolarHBondContact N-O 3.41Å; I184-I227 PolarHBondContact O-N 3.36Å |
| 185 | C | 67.4 | Low | 63.8 | Low | 9 Ų | 9 | 54.7 Ų | 54.7 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | trans | -96.7 | 110.7 | 166 | -87 | 0 | 0 | 0 | 0 | 111 | Y187 S188 C224 A1184 | C185-Y187 PolarHBondContact O-N 3.37Å; C185-Y187 VanDerWaalsContact O-N 3.11Å; C185-S188 WeakPolarHBondContact O-CB 3.5Å; C185-S188 PolarHBondContact O-N 3.11Å; C185-S188 VanDerWaalsContact O-N 3.16Å; C185-S188 PolarHBondContact O-OG 2.73Å; C185-C224 HydrophobicContact CB-CB 3.58Å; C185-C224 WeakPolarHBondContact CB-SG 3.18Å; C185-C224 WeakPolarHBondContact SG-CB 3.2Å; C185-C224 CovalentContact SG-SG 2.03Å; C185-C224 PolarHBondContact SG-SG 3.41Å; C185-A1184 PolarHBondContact SG-O 3.39Å | ||
| 186 | P | 59.2 | Low | 60.7 | Low | 58 Ų | 58 | 59.1 Ų | 59.1 | 38% | 0.377 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -16.7 | -175 | 22.6 | -32.4 | 0 | 0 | 0 | 114.4 | I184 I227 | I184-P186 WeakPolarHBondContact O-CD 3.48Å; P186-I227 HydrophobicContact CG-CD1 3.93Å; P186-I227 HydrophobicContact CG-CG1 4.43Å |
| 187 | Y | 55.7 | Low | 57.6 | Low | 46 Ų | 46 | 64.7 Ų | 64.7 | 18% | 0.18 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 7.1 | 179.1 | -50 | -62.3 | 0 | 0 | 0 | 114.3 | C185 N189 L190 I208 P219 C224 | C185-Y187 PolarHBondContact O-N 3.37Å; C185-Y187 VanDerWaalsContact O-N 3.11Å; Y187-N189 PolarHBondContact O-N 2.85Å; Y187-L190 HydrophobicContact CD1-CD1 3.87Å; Y187-L190 PolarHBondContact O-N 3Å; Y187-I208 HydrophobicContact CE2-CD1 3.88Å; Y187-I208 VanDerWaalsContact OH-CD1 3.25Å; Y187-I208 WeakPolarHBondContact OH-CD1 3.37Å; Y187-I208 WeakPolarHBondContact OH-CG1 3.42Å; Y187-P219 HydrophobicContact CD1-CB 4.34Å; Y187-P219 HydrophobicContact CD2-CB 3.93Å; Y187-P219 HydrophobicContact CE1-CB 3.72Å; Y187-P219 HydrophobicContact CE1-CG 3.85Å; Y187-P219 HydrophobicContact CE2-CB 3.21Å; Y187-P219 HydrophobicContact CE2-CG 4.16Å; Y187-P219 HydrophobicContact CG-CB 4.47Å; Y187-P219 VanDerWaalsContact OH-CB 3.31Å; Y187-P219 WeakPolarHBondContact OH-CB 3.22Å; Y187-P219 WeakPolarHBondContact OH-CG 3.49Å; Y187-C224 HydrophobicContact CD2-CB 4.32Å |
| 188 | S | 47.5 | Very low | 54.5 | Low | 57 Ų | 57 | 71.3 Ų | 71.3 | 40% | 0.399 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -53.4 | -36.6 | 178.2 | 44.9 | 0 | 0 | 0 | 0 | 113.4 | C185 | C185-S188 WeakPolarHBondContact O-CB 3.5Å; C185-S188 PolarHBondContact O-N 3.11Å; C185-S188 VanDerWaalsContact O-N 3.16Å; C185-S188 PolarHBondContact O-OG 2.73Å |
| 189 | N | 36.9 | Very low | 51.6 | Low | 145 Ų | 145 | 75.3 Ų | 75.3 | 78% | 0.775 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -80.8 | -12.1 | 179.1 | -67.8 | -33.9 | 0 | 0 | 0 | 114.8 | Y187 R191 | Y187-N189 PolarHBondContact O-N 2.85Å; N189-R191 VanDerWaalsContact C-N 3.26Å; N189-R191 PolarHBondContact O-N 3.34Å |
| 190 | L | 37.6 | Very low | 48.4 | Very low | 65 Ų | 65 | 82.8 Ų | 82.8 | 34% | 0.34 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -81.5 | 1.7 | -171.5 | -110.6 | 156.3 | 0 | 0 | 0 | 114.4 | Y187 V192 | Y187-L190 HydrophobicContact CD1-CD1 3.87Å; Y187-L190 PolarHBondContact O-N 3Å; L190-V192 PolarHBondContact O-N 2.75Å |
| 191 | R | 34.8 | Very low | 45.3 | Very low | 188 Ų | 188 | 91.4 Ų | 91.4 | 71% | 0.709 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | 21.6 | -175.3 | -151.9 | -176.6 | -72.8 | -155.9 | -0.6 | 114.8 | N189 | N189-R191 VanDerWaalsContact C-N 3.26Å; N189-R191 PolarHBondContact O-N 3.34Å |
| 192 | V | 34.7 | Very low | 42.6 | Very low | 120 Ų | 120 | 97.6 Ų | 97.6 | 73% | 0.727 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.6 | -11.1 | -174.3 | -174.2 | 0 | 0 | 0 | 0 | 113 | L190 | L190-V192 PolarHBondContact O-N 2.75Š|
| 193 | L | 29.5 | Very low | 39.9 | Very low | 117 Ų | 117 | 103.7 Ų | 103.7 | 61% | 0.613 | 58% | 0.583 | S | S | * | * | trans | -109.7 | 48.7 | -172.8 | -68.2 | 175 | 0 | 0 | 0 | 114.2 | F202 | L193-F202 HydrophobicContact CD1-CE1 4.48Å; L193-F202 HydrophobicContact CD1-CE2 3.88Å; L193-F202 HydrophobicContact CD1-CZ 3.76Å | ||
| 194 | S | 29.2 | Very low | 38 | Very low | 88 Ų | 88 | 111.5 Ų | 111.5 | 62% | 0.615 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -132.4 | 35.5 | 174.2 | 73.7 | 0 | 0 | 0 | 0 | 114.7 | ||
| 195 | S | 30.6 | Very low | 36.5 | Very low | 124 Ų | 124 | 111.5 Ų | 111.5 | 87% | 0.867 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -156.1 | 74 | 155.6 | -164 | 0 | 0 | 0 | 0 | 111.5 | ||
| 196 | S | 27.3 | Very low | 35.2 | Very low | 107 Ų | 107 | 113.5 Ų | 113.5 | 75% | 0.748 | 65% | 0.645 | S | S | * | * | trans | -148.4 | 109.8 | 162.9 | -163.2 | 0 | 0 | 0 | 0 | 109.9 | N198 | S196-N198 PolarHBondContact O-N 2.64Š| ||
| 197 | S | 29.7 | Very low | 34.6 | Very low | 120 Ų | 120 | 113.6 Ų | 113.6 | 84% | 0.839 | 65% | 0.645 | S | S | * | * | trans | -79.7 | 63.5 | -178.6 | 46.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 198 | N | 28.8 | Very low | 34.4 | Very low | 139 Ų | 139 | 112.8 Ų | 112.8 | 74% | 0.743 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -153.1 | 96 | 174.5 | -101.2 | -40.6 | 0 | 0 | 0 | 115.2 | S196 Q200 | S196-N198 PolarHBondContact O-N 2.64Å; N198-Q200 VanDerWaalsContact C-N 3.31Å; N198-Q200 PolarHBondContact O-N 3.1Å |
| 199 | G | 30.5 | Very low | 34.3 | Very low | 85 Ų | 85 | 115.3 Ų | 115.3 | 88% | 0.876 | 65% | 0.647 | S | S | * | * | 66.8 | -13.8 | 128.9 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 200 | Q | 26.9 | Very low | 34.9 | Very low | 157 Ų | 157 | 109.8 Ų | 109.8 | 73% | 0.734 | 62% | 0.616 | S | S | * | * | trans | -87 | 119.4 | -178.5 | -77.4 | -167.6 | -31.8 | 0 | 0 | 113 | N198 F202 | N198-Q200 VanDerWaalsContact C-N 3.31Å; N198-Q200 PolarHBondContact O-N 3.1Å; Q200-F202 PolarHBondContact O-N 2.97Å | ||
| 201 | K | 28.6 | Very low | 35.4 | Very low | 187 Ų | 187 | 110.2 Ų | 110.2 | 81% | 0.813 | 62% | 0.622 | S | S | * | * | trans | -71.1 | 103.4 | 168.1 | -68.2 | -179.1 | 177.8 | -179.8 | 0 | 109.9 | N203 | K201-N203 PolarHBondContact O-N 3.31Å; K201-N203 VanDerWaalsContact O-N 3.11Å | ||
| 202 | F | 32.2 | Very low | 35.9 | Very low | 132 Ų | 132 | 105.9 Ų | 105.9 | 58% | 0.579 | 61% | 0.606 | S | S | * | * | trans | -74.9 | 94.7 | 168 | -106.3 | -89.1 | 0 | 0 | 0 | 110.1 | L193 Q200 E204 | L193-F202 HydrophobicContact CD1-CE1 4.48Å; L193-F202 HydrophobicContact CD1-CE2 3.88Å; L193-F202 HydrophobicContact CD1-CZ 3.76Å; Q200-F202 PolarHBondContact O-N 2.97Å; F202-E204 VanDerWaalsContact C-N 3.32Å; F202-E204 PolarHBondContact O-N 2.96Å | ||
| 203 | N | 26.5 | Very low | 36.5 | Very low | 145 Ų | 145 | 103.5 Ų | 103.5 | 78% | 0.775 | 59% | 0.589 | S | S | * | * | trans | -92 | 25.5 | 179.4 | -89.6 | 23.3 | 0 | 0 | 0 | 113.1 | K201 | K201-N203 PolarHBondContact O-N 3.31Å; K201-N203 VanDerWaalsContact O-N 3.11Å | ||
| 204 | E | 34.6 | Very low | 37.5 | Very low | 175 Ų | 175 | 102.7 Ų | 102.7 | 82% | 0.818 | 59% | 0.586 | S | S | * | * | trans | -128 | 36.8 | -171.2 | -65.3 | -165.2 | 149.1 | 0 | 0 | 114.9 | F202 | F202-E204 VanDerWaalsContact C-N 3.32Å; F202-E204 PolarHBondContact O-N 2.96Å | ||
| 205 | T | 37.9 | Very low | 38.4 | Very low | 77 Ų | 77 | 104.2 Ų | 104.2 | 47% | 0.472 | 58% | 0.578 | S | S | . | * | trans | -100.8 | 78.8 | 158.9 | 42 | 0 | 0 | 0 | 0 | 110.5 | P219 | T205-P219 HydrophobicContact CG2-CG 4.36Š| ||
| 206 | G | 41.7 | Very low | 39.3 | Very low | 52 Ų | 52 | 102.4 Ų | 102.4 | 54% | 0.536 | 56% | 0.557 | S | S | . | * | trans | -55.4 | 137.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 207 | P | 45.9 | Very low | 40.2 | Very low | 60 Ų | 60 | 99.2 Ų | 99.2 | 39% | 0.39 | 53% | 0.532 | S | S | . | . | trans | -69.2 | 135.9 | -178.9 | 27.2 | -33.7 | 0 | 0 | 0 | 111.6 | K209 I216 | P207-K209 PolarHBondContact O-N 3.08Å; P207-I216 HydrophobicContact CB-CB 4.13Å; P207-I216 HydrophobicContact CB-CG1 4.01Å; P207-I216 HydrophobicContact CB-CG2 3.41Å; P207-I216 VanDerWaalsContact CB-CG2 3.41Å; P207-I216 HydrophobicContact CG-CD1 4.33Å; P207-I216 HydrophobicContact CG-CG1 4.19Å; P207-I216 HydrophobicContact CG-CG2 4.17Å | ||
| 208 | I | 51.1 | Low | 40.8 | Very low | 28 Ų | 28 | 98.7 Ų | 98.7 | 14% | 0.144 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 113.7 | 171 | -56.7 | 162.4 | 0 | 0 | 0 | 107.5 | Y187 Y210 I217 I227 | Y187-I208 HydrophobicContact CE2-CD1 3.88Å; Y187-I208 VanDerWaalsContact OH-CD1 3.25Å; Y187-I208 WeakPolarHBondContact OH-CD1 3.37Å; Y187-I208 WeakPolarHBondContact OH-CG1 3.42Å; I208-Y210 HydrophobicContact CB-CE2 4.17Å; I208-Y210 HydrophobicContact CG2-CD2 3.88Å; I208-Y210 HydrophobicContact CG2-CE2 3.43Å; I208-Y210 VanDerWaalsContact CG2-CE2 3.43Å; I208-I217 PolarHBondContact N-O 2.83Å; I208-I217 PolarHBondContact O-N 3.03Å; I208-I227 HydrophobicContact CD1-CD1 3.94Å; I208-I227 HydrophobicContact CG1-CD1 4.26Å; I208-I227 HydrophobicContact CG2-CD1 4.08Å |
| 209 | K | 46 | Very low | 41.5 | Very low | 110 Ų | 110 | 93 Ų | 93 | 48% | 0.478 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 124 | 166.9 | -85.7 | -171.5 | 160.2 | -155.8 | 0 | 110.1 | P207 D214 I216 | P207-K209 PolarHBondContact O-N 3.08Å; K209-D214 WeakPolarHBondContact CD-OD1 3.49Å; K209-D214 WeakPolarHBondContact CE-OD1 3.44Å; K209-D214 IonicContact NZ-OD1 2.67Å; K209-D214 PolarHBondContact NZ-OD1 3.18Å; K209-D214 IonicContact NZ-OD2 3.62Å; K209-D214 PolarHBondContact NZ-OD2 3Å; K209-I216 HydrophobicContact CG-CG1 3.76Å |
| 210 | Y | 49.1 | Very low | 42 | Very low | 30 Ų | 30 | 90 Ų | 90 | 12% | 0.118 | 45% | 0.45 | C | S | . | . | trans | -91.1 | 138.5 | 164.9 | -79.6 | -100.8 | 0 | 0 | 0 | 109.6 | I208 R212 R215 I217 I225 Q237 | I208-Y210 HydrophobicContact CB-CE2 4.17Å; I208-Y210 HydrophobicContact CG2-CD2 3.88Å; I208-Y210 HydrophobicContact CG2-CE2 3.43Å; I208-Y210 VanDerWaalsContact CG2-CE2 3.43Å; Y210-R212 PolarHBondContact O-N 3.39Å; Y210-R215 PolarHBondContact N-O 3.38Å; Y210-I217 HydrophobicContact CD2-CB 4.45Å; Y210-I217 HydrophobicContact CD2-CD1 3.58Å; Y210-I217 HydrophobicContact CD2-CG1 3.95Å; Y210-I217 HydrophobicContact CE2-CD1 3.78Å; Y210-I217 HydrophobicContact CE2-CG1 4.35Å; Y210-I217 HydrophobicContact CG-CD1 4.36Å; Y210-I225 WeakPolarHBondContact OH-CG2 3.38Å; Y210-Q237 HydrophobicContact CD1-CB 3.95Å; Y210-Q237 HydrophobicContact CE1-CB 3.84Å | ||
| 211 | P | 49 | Very low | 42.7 | Very low | 73 Ų | 73 | 85.2 Ų | 85.2 | 47% | 0.474 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -72.7 | 6.1 | -172.5 | 28.7 | -35.7 | 0 | 0 | 0 | 114.7 | ||
| 212 | R | 44.5 | Very low | 43.5 | Very low | 97 Ų | 97 | 78.7 Ų | 78.7 | 37% | 0.366 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -107.2 | 127.8 | 171.4 | -142.9 | 178.7 | -156.2 | 151.6 | 12.8 | 108.6 | Y210 D214 Q238 | Y210-R212 PolarHBondContact O-N 3.39Å; R212-D214 PolarHBondContact O-N 2.84Å; R212-D214 VanDerWaalsContact O-N 3.14Å; R212-Q238 VanDerWaalsContact CZ-OE1 3.23Å |
| 213 | N | 48 | Very low | 44.3 | Very low | 70 Ų | 70 | 73.3 Ų | 73.3 | 37% | 0.374 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 18.3 | -178.6 | -49.7 | -37.1 | 0 | 0 | 0 | 115.5 | R215 P1505 | N213-R215 PolarHBondContact O-N 2.81Å; N213-P1505 WeakPolarHBondContact OD1-CG 3.22Å |
| 214 | D | 50 | Low | 46 | Very low | 101 Ų | 101 | 66.5 Ų | 66.5 | 54% | 0.54 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 26.6 | -178.6 | -155 | 34.7 | 0 | 0 | 0 | 114.6 | K209 R212 I216 | K209-D214 WeakPolarHBondContact CD-OD1 3.49Å; K209-D214 WeakPolarHBondContact CE-OD1 3.44Å; K209-D214 IonicContact NZ-OD1 2.67Å; K209-D214 PolarHBondContact NZ-OD1 3.18Å; K209-D214 IonicContact NZ-OD2 3.62Å; K209-D214 PolarHBondContact NZ-OD2 3Å; R212-D214 PolarHBondContact O-N 2.84Å; R212-D214 VanDerWaalsContact O-N 3.14Å; D214-I216 PolarHBondContact O-N 3.27Å; D214-I216 VanDerWaalsContact O-N 3.07Å |
| 215 | R | 47.4 | Very low | 47.7 | Very low | 120 Ų | 120 | 58.9 Ų | 58.9 | 45% | 0.453 | 33% | 0.325 | S | S | . | . | trans | -68.2 | 109.9 | -170.7 | -104.9 | -179.3 | 169.2 | -172.5 | -9.5 | 110.8 | Y210 N213 I217 D1318 | Y210-R215 PolarHBondContact N-O 3.38Å; N213-R215 PolarHBondContact O-N 2.81Å; R215-I217 PolarHBondContact O-N 2.81Å; R215-D1318 IonicContact CZ-OD1 3.43Å; R215-D1318 PolarHBondContact NH1-O 3.01Å; R215-D1318 IonicContact NH1-OD1 3.47Å; R215-D1318 PolarHBondContact NH1-OD1 3.19Å | ||
| 216 | I | 49.9 | Very low | 49.3 | Very low | 85 Ų | 85 | 55.4 Ų | 55.4 | 44% | 0.436 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 103.3 | 162.9 | -83.4 | 168.5 | 0 | 0 | 0 | 108.4 | P207 K209 D214 H218 | P207-I216 HydrophobicContact CB-CB 4.13Å; P207-I216 HydrophobicContact CB-CG1 4.01Å; P207-I216 HydrophobicContact CB-CG2 3.41Å; P207-I216 VanDerWaalsContact CB-CG2 3.41Å; P207-I216 HydrophobicContact CG-CD1 4.33Å; P207-I216 HydrophobicContact CG-CG1 4.19Å; P207-I216 HydrophobicContact CG-CG2 4.17Å; K209-I216 HydrophobicContact CG-CG1 3.76Å; D214-I216 PolarHBondContact O-N 3.27Å; D214-I216 VanDerWaalsContact O-N 3.07Å; I216-H218 WeakPolarHBondContact CG2-NE2 3.22Å |
| 217 | I | 46.2 | Very low | 50.9 | Low | 41 Ų | 41 | 53.8 Ų | 53.8 | 21% | 0.21 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 110.3 | 168 | -56.3 | -170.4 | 0 | 0 | 0 | 107.3 | I208 Y210 R215 I225 I1317 | I208-I217 PolarHBondContact N-O 2.83Å; I208-I217 PolarHBondContact O-N 3.03Å; Y210-I217 HydrophobicContact CD2-CB 4.45Å; Y210-I217 HydrophobicContact CD2-CD1 3.58Å; Y210-I217 HydrophobicContact CD2-CG1 3.95Å; Y210-I217 HydrophobicContact CE2-CD1 3.78Å; Y210-I217 HydrophobicContact CE2-CG1 4.35Å; Y210-I217 HydrophobicContact CG-CD1 4.36Å; R215-I217 PolarHBondContact O-N 2.81Å; I217-I225 HydrophobicContact CD1-CD1 3.76Å; I217-I225 HydrophobicContact CG2-CD1 4.06Å; I217-I1317 HydrophobicContact CD1-CG2 4.33Å |
| 218 | H | 42.3 | Very low | 52.8 | Low | 108 Ų | 108 | 51 Ų | 51 | 50% | 0.5 | 26% | 0.264 | S | S | . | . | trans | -71.5 | 123.8 | 169.5 | -75.9 | -78 | 0 | 0 | 0 | 109.4 | I216 | I216-H218 WeakPolarHBondContact CG2-NE2 3.22Š| ||
| 219 | P | 43.4 | Very low | 54.4 | Low | 21 Ų | 21 | 51.6 Ų | 51.6 | 14% | 0.136 | 27% | 0.266 | C | S | . | . | trans | -73.9 | 135 | -177 | 30.8 | -36.7 | 0 | 0 | 0 | 111.7 | Y187 T205 | Y187-P219 HydrophobicContact CD1-CB 4.34Å; Y187-P219 HydrophobicContact CD2-CB 3.93Å; Y187-P219 HydrophobicContact CE1-CB 3.72Å; Y187-P219 HydrophobicContact CE1-CG 3.85Å; Y187-P219 HydrophobicContact CE2-CB 3.21Å; Y187-P219 HydrophobicContact CE2-CG 4.16Å; Y187-P219 HydrophobicContact CG-CB 4.47Å; Y187-P219 VanDerWaalsContact OH-CB 3.31Å; Y187-P219 WeakPolarHBondContact OH-CB 3.22Å; Y187-P219 WeakPolarHBondContact OH-CG 3.49Å; T205-P219 HydrophobicContact CG2-CG 4.36Å | ||
| 220 | I | 41.6 | Very low | 56.4 | Low | 22 Ų | 22 | 46.4 Ų | 46.4 | 11% | 0.113 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -106.1 | 128.4 | -177.1 | -51.5 | 161.9 | 0 | 0 | 0 | 108.7 | G222 S223 F1323 | I220-G222 PolarHBondContact O-N 3.44Å; I220-G222 VanDerWaalsContact O-N 3.15Å; I220-S223 PolarHBondContact O-N 3.31Å; I220-S223 VanDerWaalsContact O-N 3.12Å; I220-S223 VanDerWaalsContact O-O 3.1Å; I220-F1323 HydrophobicContact CD1-CB 4.09Å; I220-F1323 VanDerWaalsContact CD1-O 3.26Å; I220-F1323 WeakPolarHBondContact CD1-O 3.45Å; I220-F1323 WeakPolarHBondContact CG1-O 3.15Å |
| 221 | V | 41.3 | Very low | 58.1 | Low | 55 Ų | 55 | 45 Ų | 45 | 33% | 0.333 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 119.9 | 174.5 | 179 | 0 | 0 | 0 | 0 | 109 | I1325 V1328 | V221-I1325 HydrophobicContact CG2-CD1 4.28Å; V221-V1328 HydrophobicContact CB-CG2 4.1Å; V221-V1328 HydrophobicContact CG1-CG1 4.07Å; V221-V1328 WeakPolarHBondContact O-CG2 3.05Å |
| 222 | G | 45.6 | Very low | 59.7 | Low | 51 Ų | 51 | 47.4 Ų | 47.4 | 53% | 0.526 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 105.1 | -18.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | I220 | I220-G222 PolarHBondContact O-N 3.44Å; I220-G222 VanDerWaalsContact O-N 3.15Å |
| 223 | S | 49.2 | Very low | 61.7 | Low | 18 Ų | 18 | 46 Ų | 46 | 13% | 0.126 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -131.3 | 110.3 | 174 | 61.7 | 0 | 0 | 0 | 0 | 111.1 | I220 | I220-S223 PolarHBondContact O-N 3.31Å; I220-S223 VanDerWaalsContact O-N 3.12Å; I220-S223 VanDerWaalsContact O-O 3.1Å |
| 224 | C | 61.3 | Low | 63.6 | Low | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.02 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -102.7 | 143.6 | 175.6 | 66.9 | 0 | 0 | 0 | 0 | 111.2 | C185 Y187 A1184 N1187 | C185-C224 HydrophobicContact CB-CB 3.58Å; C185-C224 WeakPolarHBondContact CB-SG 3.18Å; C185-C224 WeakPolarHBondContact SG-CB 3.2Å; C185-C224 CovalentContact SG-SG 2.03Å; C185-C224 PolarHBondContact SG-SG 3.41Å; Y187-C224 HydrophobicContact CD2-CB 4.32Å; C224-A1184 PolarHBondContact SG-O 2.96Å; C224-A1184 VanDerWaalsContact SG-O 3.35Å; C224-N1187 PolarHBondContact SG-ND2 3.36Å; C224-N1187 VanDerWaalsContact SG-ND2 3.36Å; C224-N1187 PolarHBondContact SG-OD1 2.88Å |
| 225 | I | 69.6 | Low | 65.2 | Low | 15 Ų | 15 | 46.3 Ų | 46.3 | 8% | 0.077 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -96.7 | 119.9 | 162.8 | -53.1 | 170.6 | 0 | 0 | 0 | 106 | Y210 I217 I227 I1317 | Y210-I225 WeakPolarHBondContact OH-CG2 3.38Å; I217-I225 HydrophobicContact CD1-CD1 3.76Å; I217-I225 HydrophobicContact CG2-CD1 4.06Å; I225-I227 PolarHBondContact O-N 3.03Å; I225-I1317 HydrophobicContact CD1-CG2 3.85Å; I225-I1317 HydrophobicContact CG2-CD1 3.99Å |
| 226 | P | 73.3 | Confident | 67 | Low | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.019 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -60.3 | 118.6 | 177.2 | -25.9 | 32.1 | 0 | 0 | 0 | 113 | P183 R239 A1184 E1185 | P183-P226 HydrophobicContact CB-CB 3.86Å; P226-R239 PolarHBondContact O-NH2 3.28Å; P226-A1184 HydrophobicContact CB-CB 3.67Å; P226-A1184 HydrophobicContact CG-CB 3.43Å; P226-A1184 VanDerWaalsContact CG-CB 3.43Å; P226-E1185 HydrophobicContact CG-CG 3.91Å |
| 227 | I | 75.2 | Confident | 68.6 | Low | 19 Ų | 19 | 39.5 Ų | 39.5 | 10% | 0.097 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 146.9 | 169.7 | -56.6 | -173.9 | 0 | 0 | 0 | 107.6 | P183 I184 P186 I208 I225 E232 | P183-I227 CarbonylContact C-O 3.48Å; P183-I227 WeakPolarHBondContact CA-O 3.36Å; I184-I227 PolarHBondContact N-O 3.41Å; I184-I227 PolarHBondContact O-N 3.36Å; P186-I227 HydrophobicContact CG-CD1 3.93Å; P186-I227 HydrophobicContact CG-CG1 4.43Å; I208-I227 HydrophobicContact CD1-CD1 3.94Å; I208-I227 HydrophobicContact CG1-CD1 4.26Å; I208-I227 HydrophobicContact CG2-CD1 4.08Å; I225-I227 PolarHBondContact O-N 3.03Å; I227-E232 HydrophobicContact CG2-CG 3.85Å |
| 228 | S | 84.8 | Confident | 70.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 131.7 | 176.5 | 38.5 | 0 | 0 | 0 | 0 | 112.1 | I181 L230 G231 E232 Q237 R239 L242 | I181-S228 WeakPolarHBondContact O-CA 3.43Å; I181-S228 WeakPolarHBondContact O-CB 3.5Å; S228-L230 VanDerWaalsContact C-N 3.33Å; S228-L230 PolarHBondContact O-N 3.47Å; S228-G231 CarbonylContact O-C 3.39Å; S228-G231 WeakPolarHBondContact O-CA 3.43Å; S228-G231 PolarHBondContact O-N 3.37Å; S228-E232 PolarHBondContact O-N 3.37Å; S228-Q237 PolarHBondContact O-NE2 2.9Å; S228-Q237 PolarHBondContact OG-OE1 3.36Å; S228-R239 PolarHBondContact OG-NH1 3.31Å; S228-L242 WeakPolarHBondContact OG-CD2 2.99Å |
| 229 | E | 84.6 | Confident | 72.7 | Confident | 42 Ų | 42 | 34 Ų | 34 | 20% | 0.196 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -52.5 | -50 | 170.8 | -177.6 | -169 | 152.9 | 0 | 0 | 110.8 | N182 G231 E232 D233 | N182-E229 HydrophobicContact CB-CB 4.15Å; N182-E229 PolarHBondContact ND2-OE2 3.42Å; N182-E229 PolarHBondContact O-N 3.49Å; E229-G231 PolarHBondContact O-N 3.15Å; E229-E232 PolarHBondContact O-N 2.78Å; E229-D233 PolarHBondContact O-N 2.77Å |
| 230 | L | 87.6 | Confident | 74.9 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.1 | -32.6 | 174.9 | -172.7 | 69.2 | 0 | 0 | 0 | 112.6 | I181 S228 F234 L242 W358 | I181-L230 HydrophobicContact CG1-CD2 4.11Å; S228-L230 VanDerWaalsContact C-N 3.33Å; S228-L230 PolarHBondContact O-N 3.47Å; L230-F234 HydrophobicContact CD1-CD2 4.19Å; L230-F234 HydrophobicContact CD1-CE2 3.66Å; L230-F234 HydrophobicContact CG-CD2 4.21Å; L230-F234 HydrophobicContact CG-CE2 4.1Å; L230-F234 WeakPolarHBondContact O-CD2 3.31Å; L230-F234 PolarHBondContact O-N 3.19Å; L230-L242 HydrophobicContact CD2-CD1 4.17Å; L230-L242 HydrophobicContact CD2-CG 4.28Å; L230-L242 HydrophobicContact CG-CD1 4.16Å; L230-W358 HydrophobicContact CD1-CD2 3.38Å; L230-W358 HydrophobicContact CD1-CE3 3.51Å; L230-W358 HydrophobicContact CD1-CG 3.93Å; L230-W358 HydrophobicContact CD1-CH2 3.9Å; L230-W358 HydrophobicContact CD1-CZ2 3.78Å; L230-W358 HydrophobicContact CD1-CZ3 3.78Å |
| 231 | G | 84.6 | Confident | 77.4 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -81.4 | -24.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S228 E229 Q235 I236 Q237 | S228-G231 CarbonylContact O-C 3.39Å; S228-G231 WeakPolarHBondContact O-CA 3.43Å; S228-G231 PolarHBondContact O-N 3.37Å; E229-G231 PolarHBondContact O-N 3.15Å; G231-Q235 CarbonylContact O-C 3.55Å; G231-Q235 WeakPolarHBondContact O-CA 3.49Å; G231-Q235 PolarHBondContact O-N 3.21Å; G231-I236 WeakPolarHBondContact CA-O 3.45Å; G231-I236 CarbonylContact O-C 3.35Å; G231-I236 PolarHBondContact O-N 2.03Å; G231-Q237 PolarHBondContact O-NE2 3.2Å |
| 232 | E | 83.8 | Confident | 79.8 | Confident | 124 Ų | 124 | 32.8 Ų | 32.8 | 58% | 0.579 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -74.1 | -44.3 | 172.5 | -67.2 | -172.2 | 140.3 | 0 | 0 | 109.8 | I227 S228 E229 F234 Q235 Q237 | I227-E232 HydrophobicContact CG2-CG 3.85Å; S228-E232 PolarHBondContact O-N 3.37Å; E229-E232 PolarHBondContact O-N 2.78Å; E232-F234 VanDerWaalsContact C-N 3.25Å; E232-F234 PolarHBondContact O-N 2.85Å; E232-Q235 PolarHBondContact O-N 3.26Å; E232-Q237 VanDerWaalsContact N-NE2 3.12Å |
| 233 | D | 85.5 | Confident | 82.1 | Confident | 66 Ų | 66 | 30.3 Ų | 30.3 | 35% | 0.353 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -57.7 | -33.1 | 174.8 | -107.2 | -39.1 | 0 | 0 | 0 | 113.6 | E229 W358 R359 | E229-D233 PolarHBondContact O-N 2.77Å; D233-W358 HydrophobicContact CB-CZ2 4.04Å; D233-W358 WeakPolarHBondContact OD2-CZ2 3.4Å; D233-W358 PolarHBondContact OD2-NE1 3.26Å; D233-R359 IonicContact OD1-CZ 2.68Å; D233-R359 IonicContact OD1-NH1 3.57Å; D233-R359 PolarHBondContact OD1-NH1 3.2Å; D233-R359 IonicContact OD1-NH2 2.89Å; D233-R359 PolarHBondContact OD1-NH2 3.35Å; D233-R359 IonicContact OD2-CZ 2.65Å; D233-R359 IonicContact OD2-NH1 3.52Å; D233-R359 PolarHBondContact OD2-NH1 3.27Å; D233-R359 IonicContact OD2-NH2 2.81Å |
| 234 | F | 88.5 | Confident | 84.3 | Confident | 12 Ų | 12 | 31.3 Ų | 31.3 | 5% | 0.053 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 6.9 | 175.3 | -64.4 | -47.6 | 0 | 0 | 0 | 114.2 | L230 E232 I236 V290 I293 F296 W358 | L230-F234 HydrophobicContact CD1-CD2 4.19Å; L230-F234 HydrophobicContact CD1-CE2 3.66Å; L230-F234 HydrophobicContact CG-CD2 4.21Å; L230-F234 HydrophobicContact CG-CE2 4.1Å; L230-F234 WeakPolarHBondContact O-CD2 3.31Å; L230-F234 PolarHBondContact O-N 3.19Å; E232-F234 VanDerWaalsContact C-N 3.25Å; E232-F234 PolarHBondContact O-N 2.85Å; F234-I236 WeakPolarHBondContact O-CG1 3.5Å; F234-I236 PolarHBondContact O-N 3.35Å; F234-I236 VanDerWaalsContact O-N 3.14Å; F234-V290 HydrophobicContact CE1-CG1 4.29Å; F234-I293 HydrophobicContact CB-CB 4.36Å; F234-I293 HydrophobicContact CD2-CD1 3.8Å; F234-I293 HydrophobicContact CE2-CD1 4.08Å; F234-I293 HydrophobicContact CG-CB 4.38Å; F234-I293 HydrophobicContact CG-CD1 4.5Å; F234-F296 HydrophobicContact CE1-CB 4.48Å; F234-F296 HydrophobicContact CE2-CB 4.12Å; F234-F296 HydrophobicContact CE2-CD1 4.08Å; F234-F296 HydrophobicContact CE2-CD2 4.22Å; F234-F296 AromaticContact CE2-CG 3.88Å; F234-F296 HydrophobicContact CE2-CG 3.88Å; F234-F296 HydrophobicContact CZ-CB 3.76Å; F234-F296 HydrophobicContact CZ-CD1 4.43Å; F234-F296 AromaticContact CZ-CD2 3.87Å; F234-F296 HydrophobicContact CZ-CD2 3.87Å; F234-F296 AromaticContact CZ-CG 3.77Å; F234-F296 HydrophobicContact CZ-CG 3.77Å; F234-W358 HydrophobicContact CE1-CH2 4.37Å; F234-W358 HydrophobicContact CE2-CH2 4.12Å; F234-W358 HydrophobicContact CE2-CZ2 4.48Å; F234-W358 AromaticContact CZ-CH2 3.66Å; F234-W358 HydrophobicContact CZ-CH2 3.66Å; F234-W358 HydrophobicContact CZ-CZ2 4.26Å; F234-W358 HydrophobicContact CZ-CZ3 4.41Å |
| 235 | Q | 84.3 | Confident | 85.9 | Confident | 166 Ų | 166 | 31.1 Ų | 31.1 | 78% | 0.776 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 23.3 | -177.5 | -55.4 | -173 | -5.8 | 0 | 0 | 115.6 | G231 E232 | G231-Q235 CarbonylContact O-C 3.55Å; G231-Q235 WeakPolarHBondContact O-CA 3.49Å; G231-Q235 PolarHBondContact O-N 3.21Å; E232-Q235 PolarHBondContact O-N 3.26Å |
| 236 | I | 85 | Confident | 87.1 | Confident | 40 Ų | 40 | 30.4 Ų | 30.4 | 21% | 0.205 | 15% | 0.151 | C | C | . | . | trans | -132.1 | 114.5 | -174.9 | -67.5 | 166 | 0 | 0 | 0 | 110.5 | G231 F234 Q238 I241 I293 | G231-I236 WeakPolarHBondContact CA-O 3.45Å; G231-I236 CarbonylContact O-C 3.35Å; G231-I236 PolarHBondContact O-N 2.03Å; F234-I236 WeakPolarHBondContact O-CG1 3.5Å; F234-I236 PolarHBondContact O-N 3.35Å; F234-I236 VanDerWaalsContact O-N 3.14Å; I236-Q238 HydrophobicContact CG2-CB 4.41Å; I236-I241 HydrophobicContact CG2-CB 4.15Å; I236-I241 HydrophobicContact CG2-CD1 4.02Å; I236-I241 HydrophobicContact CG2-CG2 4.24Å; I236-I293 HydrophobicContact CD1-CB 4.22Å; I236-I293 HydrophobicContact CD1-CG2 3.47Å; I236-I293 VanDerWaalsContact CD1-CG2 3.47Å | ||
| 237 | Q | 84 | Confident | 88.1 | Confident | 23 Ų | 23 | 30.3 Ų | 30.3 | 11% | 0.107 | 15% | 0.15 | C | C | . | . | trans | -101.8 | 0.2 | 179 | -63.8 | -63.3 | -25 | 0 | 0 | 114.5 | Y210 S228 G231 E232 R239 | Y210-Q237 HydrophobicContact CD1-CB 3.95Å; Y210-Q237 HydrophobicContact CE1-CB 3.84Å; S228-Q237 PolarHBondContact O-NE2 2.9Å; S228-Q237 PolarHBondContact OG-OE1 3.36Å; G231-Q237 PolarHBondContact O-NE2 3.2Å; E232-Q237 VanDerWaalsContact N-NE2 3.12Å; Q237-R239 PolarHBondContact O-N 3.47Å | ||
| 238 | Q | 85.4 | Confident | 89.1 | Confident | 31 Ų | 31 | 31.5 Ų | 31.5 | 15% | 0.145 | 16% | 0.157 | C | C | . | . | trans | -69 | 123 | 176.8 | -64 | -179.1 | 37.5 | 0 | 0 | 110.4 | R212 I236 I241 L242 | R212-Q238 VanDerWaalsContact CZ-OE1 3.23Å; I236-Q238 HydrophobicContact CG2-CB 4.41Å; Q238-I241 HydrophobicContact CB-CD1 4.15Å; Q238-I241 HydrophobicContact CB-CG1 4.14Å; Q238-I241 PolarHBondContact O-N 3.07Å; Q238-L242 PolarHBondContact O-N 2.89Å; Q238-L242 VanDerWaalsContact O-N 3.08Å | ||
| 239 | R | 87.5 | Confident | 89.6 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 1% | 0.011 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -72 | -33.6 | -177.1 | -78 | -64.1 | -170.2 | -98.6 | 1.6 | 113.1 | P226 S228 Q237 I241 L242 L243 D1181 D1314 | P226-R239 PolarHBondContact O-NH2 3.28Å; S228-R239 PolarHBondContact OG-NH1 3.31Å; Q237-R239 PolarHBondContact O-N 3.47Å; R239-I241 VanDerWaalsContact C-N 3.27Å; R239-I241 PolarHBondContact O-N 3.44Å; R239-L242 PolarHBondContact O-N 3.49Å; R239-L243 HydrophobicContact CB-CD1 4.22Å; R239-L243 VanDerWaalsContact O-CB 3.24Å; R239-L243 WeakPolarHBondContact O-CB 3.44Å; R239-L243 WeakPolarHBondContact O-CD1 3.43Å; R239-L243 WeakPolarHBondContact O-CG 3.29Å; R239-L243 PolarHBondContact O-N 2.91Å; R239-D1181 VanDerWaalsContact CD-OD2 3.29Å; R239-D1181 WeakPolarHBondContact CD-OD2 3.45Å; R239-D1181 IonicContact CZ-OD1 3.31Å; R239-D1181 IonicContact CZ-OD2 3.73Å; R239-D1181 VanDerWaalsContact NE-CG 3.32Å; R239-D1181 IonicContact NE-OD1 3.36Å; R239-D1181 PolarHBondContact NE-OD1 3.05Å; R239-D1181 VanDerWaalsContact NE-OD1 3.08Å; R239-D1181 IonicContact NE-OD2 3.39Å; R239-D1181 PolarHBondContact NE-OD2 3.35Å; R239-D1181 IonicContact NH2-OD1 3.86Å; R239-D1181 PolarHBondContact NH2-OD1 2.87Å; R239-D1181 IonicContact NH2-OD2 2.66Å; R239-D1314 PolarHBondContact N-OD1 2.88Å; R239-D1314 PolarHBondContact N-OD2 3.23Å |
| 240 | S | 91.4 | Very high | 90.1 | Very high | 15 Ų | 15 | 29.5 Ų | 29.5 | 11% | 0.105 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -46.9 | -50.2 | 169.8 | 43.3 | 0 | 0 | 0 | 0 | 112.5 | T244 D1314 | S240-T244 PolarHBondContact O-OG1 2.84Å; S240-D1314 VanDerWaalsContact CB-OD2 3.28Å; S240-D1314 WeakPolarHBondContact CB-OD2 3.41Å; S240-D1314 PolarHBondContact N-OD2 3.18Å; S240-D1314 PolarHBondContact OG-OD2 3.17Å |
| 241 | I | 92.5 | Very high | 90.4 | Very high | 56 Ų | 56 | 29.5 Ų | 29.5 | 29% | 0.287 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -71 | -50.2 | 178.5 | -52.9 | 179.4 | 0 | 0 | 0 | 110.6 | I236 Q238 R239 L243 T244 P245 I293 | I236-I241 HydrophobicContact CG2-CB 4.15Å; I236-I241 HydrophobicContact CG2-CD1 4.02Å; I236-I241 HydrophobicContact CG2-CG2 4.24Å; Q238-I241 HydrophobicContact CB-CD1 4.15Å; Q238-I241 HydrophobicContact CB-CG1 4.14Å; Q238-I241 PolarHBondContact O-N 3.07Å; R239-I241 VanDerWaalsContact C-N 3.27Å; R239-I241 PolarHBondContact O-N 3.44Å; I241-L243 VanDerWaalsContact C-N 3.25Å; I241-L243 PolarHBondContact O-N 3.41Å; I241-T244 VanDerWaalsContact O-CB 3.23Å; I241-T244 WeakPolarHBondContact O-CB 3.32Å; I241-T244 PolarHBondContact O-N 2.92Å; I241-T244 PolarHBondContact O-OG1 2.62Å; I241-P245 WeakPolarHBondContact O-CD 3.16Å; I241-I293 HydrophobicContact CG2-CG1 3.91Å; I241-I293 HydrophobicContact CG2-CG2 4.28Å |
| 242 | L | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.8 | -22.8 | -172.8 | -154 | 72.1 | 0 | 0 | 0 | 113.9 | Y177 I181 S228 L230 Q238 R239 I293 | Y177-L242 WeakPolarHBondContact CE1-O 3.01Å; Y177-L242 PolarHBondContact OH-O 2.98Å; I181-L242 HydrophobicContact CD1-CD2 4.46Å; I181-L242 HydrophobicContact CD1-CG 4.48Å; I181-L242 HydrophobicContact CG1-CD2 4.15Å; I181-L242 HydrophobicContact CG1-CG 4.32Å; I181-L242 HydrophobicContact CG2-CD2 3.84Å; S228-L242 WeakPolarHBondContact OG-CD2 2.99Å; L230-L242 HydrophobicContact CD2-CD1 4.17Å; L230-L242 HydrophobicContact CD2-CG 4.28Å; L230-L242 HydrophobicContact CG-CD1 4.16Å; Q238-L242 PolarHBondContact O-N 2.89Å; Q238-L242 VanDerWaalsContact O-N 3.08Å; R239-L242 PolarHBondContact O-N 3.49Å; L242-I293 HydrophobicContact CD1-CD1 4.11Å |
| 243 | L | 94.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -14.7 | 171.4 | -67.4 | 167.7 | 0 | 0 | 0 | 113.5 | I181 R239 I241 G246 G247 L1177 M1178 P1306 | I181-L243 HydrophobicContact CD1-CD2 3.7Å; I181-L243 HydrophobicContact CD1-CG 4.42Å; R239-L243 HydrophobicContact CB-CD1 4.22Å; R239-L243 VanDerWaalsContact O-CB 3.24Å; R239-L243 WeakPolarHBondContact O-CB 3.44Å; R239-L243 WeakPolarHBondContact O-CD1 3.43Å; R239-L243 WeakPolarHBondContact O-CG 3.29Å; R239-L243 PolarHBondContact O-N 2.91Å; I241-L243 VanDerWaalsContact C-N 3.25Å; I241-L243 PolarHBondContact O-N 3.41Å; L243-G246 CarbonylContact O-C 3.54Å; L243-G246 PolarHBondContact O-N 3.42Å; L243-G246 VanDerWaalsContact O-N 3.09Å; L243-G247 PolarHBondContact O-N 3.43Å; L243-L1177 HydrophobicContact CD2-CB 3.97Å; L243-L1177 HydrophobicContact CD2-CD2 4.26Å; L243-M1178 HydrophobicContact CD1-CE 3.59Å; L243-M1178 HydrophobicContact CD1-SD 3.78Å; L243-M1178 HydrophobicContact CD2-CE 3.88Å; L243-M1178 HydrophobicContact CG-CE 4.22Å; L243-P1306 HydrophobicContact CB-CB 4.26Å; L243-P1306 WeakPolarHBondContact CD1-O 3.47Å |
| 244 | T | 95.3 | Very high | 91.7 | Very high | 38 Ų | 38 | 22.1 Ų | 22.1 | 23% | 0.233 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.5 | -44.4 | -175.9 | -63.9 | 0 | 0 | 0 | 0 | 113.2 | S240 I241 G246 G247 L248 T297 | S240-T244 PolarHBondContact O-OG1 2.84Å; I241-T244 VanDerWaalsContact O-CB 3.23Å; I241-T244 WeakPolarHBondContact O-CB 3.32Å; I241-T244 PolarHBondContact O-N 2.92Å; I241-T244 PolarHBondContact O-OG1 2.62Å; T244-G246 VanDerWaalsContact C-N 3.26Å; T244-G246 PolarHBondContact O-N 3.23Å; T244-G247 PolarHBondContact O-N 3.13Å; T244-L248 HydrophobicContact CG2-CD1 4.4Å; T244-L248 WeakPolarHBondContact O-CB 3.28Å; T244-L248 PolarHBondContact O-N 3.4Å; T244-T297 HydrophobicContact CG2-CG2 3.96Å |
| 245 | P | 95.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.5 | -39 | 173.1 | -21 | 29.9 | 0 | 0 | 0 | 112.8 | Y177 I241 I249 I293 F296 F300 | Y177-P245 HydrophobicContact CE2-CB 4.22Å; Y177-P245 WeakPolarHBondContact OH-CG 3.33Å; I241-P245 WeakPolarHBondContact O-CD 3.16Å; P245-I249 WeakPolarHBondContact O-CB 3.33Å; P245-I249 VanDerWaalsContact O-CG2 3.27Å; P245-I249 WeakPolarHBondContact O-CG2 3.49Å; P245-I249 PolarHBondContact O-N 2.94Å; P245-I293 HydrophobicContact CG-CD1 4.31Å; P245-F296 HydrophobicContact CB-CD1 4.05Å; P245-F296 HydrophobicContact CB-CE1 3.91Å; P245-F296 HydrophobicContact CG-CD1 3.69Å; P245-F296 HydrophobicContact CG-CE1 3.91Å; P245-F300 HydrophobicContact CB-CD1 3.91Å |
| 246 | G | 93.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -74.1 | -33.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | L243 T244 I249 V250 | L243-G246 CarbonylContact O-C 3.54Å; L243-G246 PolarHBondContact O-N 3.42Å; L243-G246 VanDerWaalsContact O-N 3.09Å; T244-G246 VanDerWaalsContact C-N 3.26Å; T244-G246 PolarHBondContact O-N 3.23Å; G246-I249 WeakPolarHBondContact O-CG2 3.41Å; G246-V250 VanDerWaalsContact O-CG2 3.27Å; G246-V250 WeakPolarHBondContact O-CG2 3.23Å |
| 247 | G | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -71.6 | -45.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L243 T244 I249 V250 G251 A1303 | L243-G247 PolarHBondContact O-N 3.43Å; T244-G247 PolarHBondContact O-N 3.13Å; G247-I249 PolarHBondContact O-N 2.88Å; G247-V250 PolarHBondContact O-N 3Å; G247-G251 PolarHBondContact O-N 3.26Å; G247-A1303 WeakPolarHBondContact O-CA 3.16Å |
| 248 | L | 96 | Very high | 92.3 | Very high | 44 Ų | 44 | 16.4 Ų | 16.4 | 23% | 0.23 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -70.8 | -32.7 | -172.2 | -165.1 | 146.9 | 0 | 0 | 0 | 112.7 | T244 L252 T297 L302 | T244-L248 HydrophobicContact CG2-CD1 4.4Å; T244-L248 WeakPolarHBondContact O-CB 3.28Å; T244-L248 PolarHBondContact O-N 3.4Å; L248-L252 HydrophobicContact CD2-CD1 3.46Å; L248-L252 VanDerWaalsContact CD2-CD1 3.46Å; L248-L252 HydrophobicContact CD2-CG 4.25Å; L248-L252 HydrophobicContact CG-CD1 4.22Å; L248-L252 WeakPolarHBondContact O-CB 3.24Å; L248-L252 WeakPolarHBondContact O-CG 3.37Å; L248-L252 PolarHBondContact O-N 3.12Å; L248-T297 HydrophobicContact CD1-CG2 4.34Å; L248-L302 HydrophobicContact CD2-CB 4.05Å; L248-L302 VanDerWaalsContact CD2-N 3.28Å |
| 249 | I | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.5 | -45.2 | 170.8 | -165.4 | 174.1 | 0 | 0 | 0 | 111.9 | P245 G246 G247 Y253 F300 L308 | P245-I249 WeakPolarHBondContact O-CB 3.33Å; P245-I249 VanDerWaalsContact O-CG2 3.27Å; P245-I249 WeakPolarHBondContact O-CG2 3.49Å; P245-I249 PolarHBondContact O-N 2.94Å; G246-I249 WeakPolarHBondContact O-CG2 3.41Å; G247-I249 PolarHBondContact O-N 2.88Å; I249-Y253 PolarHBondContact O-N 3.45Å; I249-F300 HydrophobicContact CB-CE1 4.38Å; I249-F300 HydrophobicContact CD1-CD1 4.11Å; I249-F300 HydrophobicContact CD1-CE1 3.68Å; I249-F300 HydrophobicContact CD1-CE2 4.47Å; I249-F300 HydrophobicContact CD1-CZ 3.87Å; I249-F300 WeakPolarHBondContact CD1-O 3.39Å; I249-F300 HydrophobicContact CG2-CE1 4.04Å; I249-L308 HydrophobicContact CD1-CD1 3.63Å; I249-L308 HydrophobicContact CG1-CD1 3.74Å |
| 250 | V | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.8 | -45.3 | 177 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | C174 G246 G247 Y253 L254 V1173 A1302 | C174-V250 HydrophobicContact CB-CG2 3.8Å; G246-V250 VanDerWaalsContact O-CG2 3.27Å; G246-V250 WeakPolarHBondContact O-CG2 3.23Å; G247-V250 PolarHBondContact O-N 3Å; V250-Y253 HydrophobicContact CB-CE1 4.29Å; V250-Y253 HydrophobicContact CG1-CE1 3.96Å; V250-Y253 WeakPolarHBondContact O-CD1 3.44Å; V250-L254 HydrophobicContact CG1-CD1 4.45Å; V250-L254 WeakPolarHBondContact O-CG 3.37Å; V250-V1173 HydrophobicContact CB-CG1 4.46Å; V250-V1173 HydrophobicContact CG1-CG1 4.26Å; V250-V1173 HydrophobicContact CG1-CG2 3.89Å; V250-V1173 HydrophobicContact CG2-CG1 4.22Å; V250-A1302 HydrophobicContact CG1-CB 3.96Å |
| 251 | G | 93.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.9 | -46.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G247 L254 F255 G1299 | G247-G251 PolarHBondContact O-N 3.26Å; G251-L254 PolarHBondContact O-N 2.95Å; G251-F255 VanDerWaalsContact O-CB 3.27Å; G251-F255 WeakPolarHBondContact O-CB 3.27Å; G251-F255 PolarHBondContact O-N 3.29Å; G251-G1299 CarbonylContact C-O 3.47Å; G251-G1299 WeakPolarHBondContact CA-O 3.33Å; G251-G1299 CarbonylContact O-C 3.51Å; G251-G1299 WeakPolarHBondContact O-CA 3.32Å |
| 252 | L | 94.7 | Very high | 91.6 | Very high | 29 Ų | 29 | 14.7 Ų | 14.7 | 15% | 0.152 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -73.6 | -31.2 | -177.7 | -74.2 | 176.6 | 0 | 0 | 0 | 114.4 | L248 L254 F255 L256 L302 | L248-L252 HydrophobicContact CD2-CD1 3.46Å; L248-L252 VanDerWaalsContact CD2-CD1 3.46Å; L248-L252 HydrophobicContact CD2-CG 4.25Å; L248-L252 HydrophobicContact CG-CD1 4.22Å; L248-L252 WeakPolarHBondContact O-CB 3.24Å; L248-L252 WeakPolarHBondContact O-CG 3.37Å; L248-L252 PolarHBondContact O-N 3.12Å; L252-L254 PolarHBondContact O-N 3.09Å; L252-F255 HydrophobicContact CD2-CB 4.18Å; L252-F255 HydrophobicContact CD2-CD1 4.1Å; L252-F255 HydrophobicContact CD2-CG 4.39Å; L252-F255 PolarHBondContact O-N 2.86Å; L252-L256 PolarHBondContact O-N 3.34Å; L252-L302 HydrophobicContact CD1-CB 4.33Å; L252-L302 HydrophobicContact CD1-CD1 3.52Å; L252-L302 HydrophobicContact CD1-CG 4.46Å |
| 253 | Y | 93.4 | Very high | 91.3 | Very high | 6 Ų | 6 | 16.3 Ų | 16.3 | 2% | 0.024 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.8 | -28.6 | 176.2 | 91.5 | -118.5 | 0 | 0 | 0 | 111.7 | D171 C174 I249 V250 G305 S309 Y312 | D171-Y253 VanDerWaalsContact OD1-CZ 3.28Å; D171-Y253 PolarHBondContact OD1-OH 3.35Å; C174-Y253 HydrophobicContact CB-CE1 4.22Å; C174-Y253 VanDerWaalsContact SG-CD1 3.59Å; C174-Y253 VanDerWaalsContact SG-CE1 3.55Å; I249-Y253 PolarHBondContact O-N 3.45Å; V250-Y253 HydrophobicContact CB-CE1 4.29Å; V250-Y253 HydrophobicContact CG1-CE1 3.96Å; V250-Y253 WeakPolarHBondContact O-CD1 3.44Å; Y253-G305 WeakPolarHBondContact CA-O 3.33Å; Y253-G305 PolarHBondContact N-O 3.36Å; Y253-S309 WeakPolarHBondContact O-CA 3.45Å; Y253-S309 VanDerWaalsContact O-CB 3.31Å; Y253-S309 WeakPolarHBondContact O-CB 3.49Å; Y253-S309 PolarHBondContact O-OG 2.8Å; Y253-Y312 AromaticContact CD2-CD1 3.85Å; Y253-Y312 HydrophobicContact CD2-CD1 3.85Å; Y253-Y312 AromaticContact CD2-CD2 3.91Å; Y253-Y312 HydrophobicContact CD2-CD2 3.91Å; Y253-Y312 HydrophobicContact CD2-CE1 4.3Å; Y253-Y312 HydrophobicContact CD2-CE2 4.35Å; Y253-Y312 AromaticContact CD2-CG 3.64Å; Y253-Y312 HydrophobicContact CD2-CG 3.64Å; Y253-Y312 AromaticContact CE2-CD1 3.88Å; Y253-Y312 HydrophobicContact CE2-CD1 3.88Å; Y253-Y312 AromaticContact CE2-CD2 3.51Å; Y253-Y312 HydrophobicContact CE2-CD2 3.51Å; Y253-Y312 AromaticContact CE2-CE1 3.91Å; Y253-Y312 HydrophobicContact CE2-CE1 3.91Å; Y253-Y312 AromaticContact CE2-CE2 3.54Å; Y253-Y312 HydrophobicContact CE2-CE2 3.54Å; Y253-Y312 AromaticContact CE2-CG 3.69Å; Y253-Y312 HydrophobicContact CE2-CG 3.69Å; Y253-Y312 AromaticContact CE2-CZ 3.74Å |
| 254 | L | 92.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -86.4 | -42.6 | 173.1 | -59.4 | 167.6 | 0 | 0 | 0 | 112.4 | V250 G251 L252 L256 G257 Y312 M1169 L1295 A1302 | V250-L254 HydrophobicContact CG1-CD1 4.45Å; V250-L254 WeakPolarHBondContact O-CG 3.37Å; G251-L254 PolarHBondContact O-N 2.95Å; L252-L254 PolarHBondContact O-N 3.09Å; L254-L256 VanDerWaalsContact C-N 3.28Å; L254-L256 PolarHBondContact O-N 2.93Å; L254-G257 PolarHBondContact O-N 3.23Å; L254-Y312 HydrophobicContact CD2-CE1 4.04Å; L254-M1169 HydrophobicContact CD1-CE 3.62Å; L254-L1295 CarbonylContact C-O 3.55Å; L254-L1295 HydrophobicContact CD2-CD2 3.68Å; L254-L1295 CarbonylContact O-C 3.24Å; L254-L1295 WeakPolarHBondContact O-CB 3.47Å; L254-A1302 HydrophobicContact CD1-CB 4.18Å |
| 255 | F | 92 | Very high | 90.1 | Very high | 74 Ų | 74 | 17.9 Ų | 17.9 | 33% | 0.325 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -56.5 | -39.7 | -172.2 | -176.6 | -102.5 | 0 | 0 | 0 | 113 | G251 L252 G257 L1296 F1300 | G251-F255 VanDerWaalsContact O-CB 3.27Å; G251-F255 WeakPolarHBondContact O-CB 3.27Å; G251-F255 PolarHBondContact O-N 3.29Å; L252-F255 HydrophobicContact CD2-CB 4.18Å; L252-F255 HydrophobicContact CD2-CD1 4.1Å; L252-F255 HydrophobicContact CD2-CG 4.39Å; L252-F255 PolarHBondContact O-N 2.86Å; F255-G257 PolarHBondContact O-N 2.88Å; F255-L1296 HydrophobicContact CD2-CG 4.06Å; F255-L1296 WeakPolarHBondContact CD2-O 3.35Å; F255-L1296 HydrophobicContact CE2-CD1 4.46Å; F255-L1296 HydrophobicContact CE2-CD2 4.28Å; F255-L1296 HydrophobicContact CE2-CG 3.98Å; F255-F1300 HydrophobicContact CD2-CB 4.47Å |
| 256 | L | 90.7 | Very high | 89.6 | Confident | 31 Ų | 31 | 21.1 Ų | 21.1 | 16% | 0.162 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 10.3 | 179.4 | -61.9 | -179.3 | 0 | 0 | 0 | 114.1 | L252 L254 L259 V260 I306 | L252-L256 PolarHBondContact O-N 3.34Å; L254-L256 VanDerWaalsContact C-N 3.28Å; L254-L256 PolarHBondContact O-N 2.93Å; L256-L259 HydrophobicContact CB-CB 4.47Å; L256-L259 HydrophobicContact CD2-CD2 4.09Å; L256-L259 WeakPolarHBondContact O-CA 3.41Å; L256-L259 WeakPolarHBondContact O-CB 3.16Å; L256-L259 PolarHBondContact O-N 2.72Å; L256-V260 HydrophobicContact CB-CG2 4.21Å; L256-V260 PolarHBondContact O-N 2.94Å; L256-I306 HydrophobicContact CD1-CB 4.29Å; L256-I306 HydrophobicContact CD1-CG1 3.87Å; L256-I306 HydrophobicContact CD1-CG2 4.2Å |
| 257 | G | 86.9 | Confident | 89.1 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -43.9 | -49.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L254 F255 L259 S261 L313 | L254-G257 PolarHBondContact O-N 3.23Å; F255-G257 PolarHBondContact O-N 2.88Å; G257-L259 PolarHBondContact O-N 3.28Å; G257-S261 WeakPolarHBondContact O-CB 3.46Å; G257-S261 PolarHBondContact O-N 3.23Å; G257-L313 WeakPolarHBondContact O-CD1 3.5Å |
| 258 | P | 85.9 | Confident | 88.7 | Confident | 15 Ų | 15 | 29.6 Ų | 29.6 | 10% | 0.097 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.2 | -39.7 | 176.3 | -22.3 | 33.9 | 0 | 0 | 0 | 113.3 | A262 G1292 L1296 | P258-A262 WeakPolarHBondContact O-CB 3.46Å; P258-A262 PolarHBondContact O-N 3.18Å; P258-G1292 WeakPolarHBondContact CD-O 3.46Å; P258-G1292 WeakPolarHBondContact CG-O 3.24Å; P258-L1296 HydrophobicContact CG-CB 4Å; P258-L1296 HydrophobicContact CG-CD1 3.84Å |
| 259 | L | 88.1 | Confident | 88.3 | Confident | 66 Ų | 66 | 28.9 Ų | 28.9 | 35% | 0.346 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -68.8 | -48.7 | -179.1 | 177.1 | 62.9 | 0 | 0 | 0 | 111.5 | L256 G257 S261 A262 L263 M1144 | L256-L259 HydrophobicContact CB-CB 4.47Å; L256-L259 HydrophobicContact CD2-CD2 4.09Å; L256-L259 WeakPolarHBondContact O-CA 3.41Å; L256-L259 WeakPolarHBondContact O-CB 3.16Å; L256-L259 PolarHBondContact O-N 2.72Å; G257-L259 PolarHBondContact O-N 3.28Å; L259-S261 VanDerWaalsContact C-N 3.31Å; L259-S261 PolarHBondContact O-N 3.31Å; L259-A262 WeakPolarHBondContact O-CB 3.37Å; L259-A262 PolarHBondContact O-N 2.84Å; L259-L263 HydrophobicContact CD1-CD1 4.11Å; L259-L263 HydrophobicContact CD1-CG 4.36Å; L259-L263 HydrophobicContact CG-CD1 4.1Å; L259-L263 WeakPolarHBondContact O-CG 3.32Å; L259-L263 PolarHBondContact O-N 2.89Å; L259-M1144 HydrophobicContact CD1-CE 3.67Å |
| 260 | V | 89.1 | Confident | 88.2 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.8 | -35.2 | 179.5 | -176.1 | 0 | 0 | 0 | 0 | 110.8 | L256 S264 V272 S309 F310 L313 P314 | L256-V260 HydrophobicContact CB-CG2 4.21Å; L256-V260 PolarHBondContact O-N 2.94Å; V260-S264 VanDerWaalsContact O-CB 3.26Å; V260-S264 WeakPolarHBondContact O-CB 3.47Å; V260-S264 PolarHBondContact O-N 3.19Å; V260-S264 PolarHBondContact O-OG 3.12Å; V260-V272 HydrophobicContact CG1-CG1 3.8Å; V260-S309 WeakPolarHBondContact CG2-OG 3.41Å; V260-F310 HydrophobicContact CG2-CD2 3.53Å; V260-F310 HydrophobicContact CG2-CE2 3.7Å; V260-F310 HydrophobicContact CG2-CG 4.15Å; V260-F310 HydrophobicContact CG2-CZ 4.43Å; V260-L313 HydrophobicContact CB-CB 4.34Å; V260-L313 HydrophobicContact CB-CD1 4.48Å; V260-L313 HydrophobicContact CG1-CB 3.94Å; V260-L313 HydrophobicContact CG1-CD2 4.23Å; V260-P314 HydrophobicContact CG1-CG 4.07Å |
| 261 | S | 82.3 | Confident | 88.1 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.4 | -51.7 | 169.4 | 174.9 | 0 | 0 | 0 | 0 | 111.7 | G257 L259 L263 S264 N265 T1288 | G257-S261 WeakPolarHBondContact O-CB 3.46Å; G257-S261 PolarHBondContact O-N 3.23Å; L259-S261 VanDerWaalsContact C-N 3.31Å; L259-S261 PolarHBondContact O-N 3.31Å; S261-L263 VanDerWaalsContact C-N 3.34Å; S261-L263 PolarHBondContact O-N 3.44Å; S261-S264 PolarHBondContact O-N 3.19Å; S261-N265 PolarHBondContact O-N 3.19Å; S261-N265 PolarHBondContact O-ND2 3.4Å; S261-N265 PolarHBondContact O-OD1 3.1Å; S261-T1288 VanDerWaalsContact OG-CG2 3.28Å; S261-T1288 WeakPolarHBondContact OG-CG2 3.47Å |
| 262 | A | 81.7 | Confident | 88 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.2 | -46.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P258 L259 Q266 F1143 M1144 L1147 | P258-A262 WeakPolarHBondContact O-CB 3.46Å; P258-A262 PolarHBondContact O-N 3.18Å; L259-A262 WeakPolarHBondContact O-CB 3.37Å; L259-A262 PolarHBondContact O-N 2.84Å; A262-Q266 PolarHBondContact O-N 2.91Å; A262-F1143 HydrophobicContact CB-CD1 4.45Å; A262-F1143 HydrophobicContact CB-CE1 4.45Å; A262-M1144 HydrophobicContact CB-CE 3.4Å; A262-M1144 VanDerWaalsContact CB-CE 3.4Å; A262-M1144 HydrophobicContact CB-SD 4.01Å; A262-L1147 HydrophobicContact CB-CD1 3.49Å; A262-L1147 VanDerWaalsContact CB-CD1 3.49Å |
| 263 | L | 86.7 | Confident | 88 | Confident | 35 Ų | 35 | 31 Ų | 31 | 18% | 0.183 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.2 | -42.3 | 178.6 | -67.4 | 170.7 | 0 | 0 | 0 | 111.8 | L259 S261 N265 Q266 F267 V272 F310 | L259-L263 HydrophobicContact CD1-CD1 4.11Å; L259-L263 HydrophobicContact CD1-CG 4.36Å; L259-L263 HydrophobicContact CG-CD1 4.1Å; L259-L263 WeakPolarHBondContact O-CG 3.32Å; L259-L263 PolarHBondContact O-N 2.89Å; S261-L263 VanDerWaalsContact C-N 3.34Å; S261-L263 PolarHBondContact O-N 3.44Å; L263-N265 VanDerWaalsContact C-N 3.3Å; L263-N265 PolarHBondContact O-N 3.39Å; L263-Q266 PolarHBondContact O-N 3.38Å; L263-Q266 VanDerWaalsContact O-N 3.16Å; L263-F267 HydrophobicContact CB-CD2 4.44Å; L263-F267 HydrophobicContact CD2-CD2 4.04Å; L263-F267 HydrophobicContact CD2-CE2 3.81Å; L263-F267 WeakPolarHBondContact O-CB 3.15Å; L263-F267 WeakPolarHBondContact O-CD2 3.43Å; L263-F267 PolarHBondContact O-N 3.33Å; L263-V272 HydrophobicContact CB-CG2 4.1Å; L263-F310 HydrophobicContact CD1-CE1 3.73Å; L263-F310 HydrophobicContact CD1-CZ 3.6Å |
| 264 | S | 84.8 | Confident | 88.1 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.8 | -35.6 | 179.7 | -59.1 | 0 | 0 | 0 | 0 | 112.8 | V260 S261 Q266 D268 F269 | V260-S264 VanDerWaalsContact O-CB 3.26Å; V260-S264 WeakPolarHBondContact O-CB 3.47Å; V260-S264 PolarHBondContact O-N 3.19Å; V260-S264 PolarHBondContact O-OG 3.12Å; S261-S264 PolarHBondContact O-N 3.19Å; S264-Q266 VanDerWaalsContact C-N 3.29Å; S264-Q266 PolarHBondContact O-N 2.73Å; S264-D268 CarbonylContact O-C 3.59Å; S264-D268 WeakPolarHBondContact O-CA 3.44Å; S264-D268 PolarHBondContact O-N 3Å; S264-F269 VanDerWaalsContact CB-CD1 3.49Å |
| 265 | N | 79.9 | Confident | 88.2 | Confident | 68 Ų | 68 | 36.4 Ų | 36.4 | 36% | 0.364 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -74.9 | -16.2 | 178.1 | -62.5 | -17.5 | 0 | 0 | 0 | 113 | S261 L263 F1143 | S261-N265 PolarHBondContact O-N 3.19Å; S261-N265 PolarHBondContact O-ND2 3.4Å; S261-N265 PolarHBondContact O-OD1 3.1Å; L263-N265 VanDerWaalsContact C-N 3.3Å; L263-N265 PolarHBondContact O-N 3.39Å; N265-F1143 HydrophobicContact CB-CE1 3.91Å; N265-F1143 HydrophobicContact CB-CZ 3.83Å |
| 266 | Q | 84 | Confident | 88.4 | Confident | 69 Ų | 69 | 32.9 Ų | 32.9 | 32% | 0.322 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -104.5 | -31.3 | 179.1 | -69.1 | -166 | 5.7 | 0 | 0 | 114.1 | A262 L263 S264 F1143 | A262-Q266 PolarHBondContact O-N 2.91Å; L263-Q266 PolarHBondContact O-N 3.38Å; L263-Q266 VanDerWaalsContact O-N 3.16Å; S264-Q266 VanDerWaalsContact C-N 3.29Å; S264-Q266 PolarHBondContact O-N 2.73Å; Q266-F1143 HydrophobicContact CG-CD1 4.18Å; Q266-F1143 HydrophobicContact CG-CE1 4.16Å; Q266-F1143 VanDerWaalsContact NE2-CD1 3.29Å |
| 267 | F | 83.7 | Confident | 88.6 | Confident | 113 Ų | 113 | 31.4 Ų | 31.4 | 50% | 0.496 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -115.8 | 11.3 | -173.1 | -62.8 | -70.3 | 0 | 0 | 0 | 113.9 | L263 P271 V272 | L263-F267 HydrophobicContact CB-CD2 4.44Å; L263-F267 HydrophobicContact CD2-CD2 4.04Å; L263-F267 HydrophobicContact CD2-CE2 3.81Å; L263-F267 WeakPolarHBondContact O-CB 3.15Å; L263-F267 WeakPolarHBondContact O-CD2 3.43Å; L263-F267 PolarHBondContact O-N 3.33Å; F267-P271 HydrophobicContact CB-CG 4.34Å; F267-P271 WeakPolarHBondContact O-CD 3.39Å; F267-P271 WeakPolarHBondContact O-CG 3.39Å; F267-V272 HydrophobicContact CB-CG2 4.36Å |
| 268 | D | 85.7 | Confident | 89.1 | Confident | 65 Ų | 65 | 35.5 Ų | 35.5 | 35% | 0.348 | 18% | 0.178 | S | C | . | . | trans | 62.4 | 159.7 | -159.9 | -72.9 | -48.9 | 0 | 0 | 0 | 114.3 | S264 R270 P271 V272 | S264-D268 CarbonylContact O-C 3.59Å; S264-D268 WeakPolarHBondContact O-CA 3.44Å; S264-D268 PolarHBondContact O-N 3Å; D268-R270 PolarHBondContact O-N 3.43Å; D268-P271 WeakPolarHBondContact O-CD 3.45Å; D268-V272 WeakPolarHBondContact O-CG2 3.36Å | ||
| 269 | F | 88.5 | Confident | 89.6 | Confident | 29 Ų | 29 | 36.9 Ų | 36.9 | 13% | 0.127 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.6 | -28.9 | 172.7 | -61.7 | -69.1 | 0 | 0 | 0 | 113.9 | S264 A273 P314 A317 T318 H321 | S264-F269 VanDerWaalsContact CB-CD1 3.49Å; F269-A273 WeakPolarHBondContact O-CB 3.43Å; F269-A273 PolarHBondContact O-N 3.08Å; F269-P314 HydrophobicContact CB-CB 3.98Å; F269-P314 HydrophobicContact CD1-CB 4.12Å; F269-P314 WeakPolarHBondContact O-CB 3.29Å; F269-A317 HydrophobicContact CD1-CB 3.98Å; F269-A317 HydrophobicContact CE1-CB 3.39Å; F269-A317 HydrophobicContact CZ-CB 4.02Å; F269-T318 HydrophobicContact CB-CG2 3.3Å; F269-T318 HydrophobicContact CD1-CG2 4.22Å; F269-T318 HydrophobicContact CD2-CG2 3.64Å; F269-T318 HydrophobicContact CG-CG2 3.44Å; F269-T318 VanDerWaalsContact CG-CG2 3.44Å; F269-H321 AromaticContact CZ-CE1 3.66Å |
| 270 | R | 92.6 | Very high | 90 | Very high | 35 Ų | 35 | 33.8 Ų | 33.8 | 13% | 0.132 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -72.9 | -49.7 | -167.3 | -162.1 | -174.8 | -169.3 | -155.2 | 9.8 | 114.4 | D268 A273 M274 I376 L377 F379 Y886 | D268-R270 PolarHBondContact O-N 3.43Å; R270-A273 PolarHBondContact O-N 2.72Å; R270-M274 HydrophobicContact CG-CE 4.04Å; R270-M274 WeakPolarHBondContact O-CG 3.37Å; R270-M274 PolarHBondContact O-N 2.89Å; R270-M274 VanDerWaalsContact O-N 3.12Å; R270-I376 HydrophobicContact CG-CG2 4.35Å; R270-L377 PolarHBondContact NH2-O 3.27Å; R270-F379 WeakPolarHBondContact CB-O 3.03Å; R270-F379 WeakPolarHBondContact CD-O 3.48Å; R270-F379 HydrophobicContact CG-CB 4.34Å; R270-F379 VanDerWaalsContact CG-O 3.31Å; R270-F379 WeakPolarHBondContact CG-O 3.4Å; R270-Y886 VanDerWaalsContact C-OH 3.32Å; R270-Y886 HydrophobicContact CB-CE2 4.4Å; R270-Y886 WeakPolarHBondContact CB-OH 3.46Å; R270-Y886 HydrophobicContact CG-CE1 4.35Å; R270-Y886 WeakPolarHBondContact CG-OH 3.46Å; R270-Y886 VanDerWaalsContact NH1-CE1 3.26Å |
| 271 | P | 92 | Very high | 90.4 | Very high | 32 Ų | 32 | 34.6 Ų | 34.6 | 21% | 0.208 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -76.2 | -30.9 | -179.2 | 28.6 | -32 | 0 | 0 | 0 | 111.5 | F267 D268 A273 M274 I275 Y886 | F267-P271 HydrophobicContact CB-CG 4.34Å; F267-P271 WeakPolarHBondContact O-CD 3.39Å; F267-P271 WeakPolarHBondContact O-CG 3.39Å; D268-P271 WeakPolarHBondContact O-CD 3.45Å; P271-A273 VanDerWaalsContact C-N 3.33Å; P271-A273 PolarHBondContact O-N 2.76Å; P271-M274 PolarHBondContact O-N 3.22Å; P271-I275 VanDerWaalsContact O-CG1 3.3Å; P271-I275 WeakPolarHBondContact O-CG1 3.26Å; P271-I275 PolarHBondContact O-N 3.13Å; P271-Y886 VanDerWaalsContact CA-OH 3.29Å; P271-Y886 WeakPolarHBondContact CA-OH 3.44Å; P271-Y886 HydrophobicContact CB-CE2 4.48Å; P271-Y886 WeakPolarHBondContact CB-OH 3.38Å; P271-Y886 VanDerWaalsContact CD-OH 3.24Å; P271-Y886 WeakPolarHBondContact CD-OH 3.4Å; P271-Y886 HydrophobicContact CG-CE2 4.28Å |
| 272 | V | 93.1 | Very high | 91.1 | Very high | 6 Ų | 6 | 38.1 Ų | 38.1 | 4% | 0.036 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.5 | -48.7 | 171.9 | 178.2 | 0 | 0 | 0 | 0 | 110.1 | V260 L263 F267 D268 M274 I275 G276 F310 P314 | V260-V272 HydrophobicContact CG1-CG1 3.8Å; L263-V272 HydrophobicContact CB-CG2 4.1Å; F267-V272 HydrophobicContact CB-CG2 4.36Å; D268-V272 WeakPolarHBondContact O-CG2 3.36Å; V272-M274 PolarHBondContact O-N 2.81Å; V272-I275 PolarHBondContact O-N 3.02Å; V272-G276 PolarHBondContact O-N 3.21Å; V272-F310 HydrophobicContact CG1-CB 4.42Å; V272-F310 HydrophobicContact CG1-CD1 3.64Å; V272-F310 HydrophobicContact CG1-CE1 4.23Å; V272-F310 HydrophobicContact CG1-CG 4.24Å; V272-P314 HydrophobicContact CB-CG 4.36Å; V272-P314 HydrophobicContact CG1-CG 3.95Å |
| 273 | A | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.9 | -40.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F269 R270 P271 I275 G276 A277 F310 P314 I376 F379 | F269-A273 WeakPolarHBondContact O-CB 3.43Å; F269-A273 PolarHBondContact O-N 3.08Å; R270-A273 PolarHBondContact O-N 2.72Å; P271-A273 VanDerWaalsContact C-N 3.33Å; P271-A273 PolarHBondContact O-N 2.76Å; A273-I275 PolarHBondContact O-N 3.27Å; A273-G276 PolarHBondContact O-N 3.31Å; A273-A277 PolarHBondContact O-N 2.84Å; A273-F310 VanDerWaalsContact CA-O 3.25Å; A273-F310 WeakPolarHBondContact CA-O 3.25Å; A273-P314 HydrophobicContact CB-CB 4.12Å; A273-P314 HydrophobicContact CB-CG 4.45Å; A273-I376 HydrophobicContact CB-CB 4.5Å; A273-I376 HydrophobicContact CB-CD1 3.93Å; A273-I376 HydrophobicContact CB-CG1 4.04Å; A273-I376 HydrophobicContact CB-CG2 3.61Å; A273-I376 WeakPolarHBondContact O-CD1 3.32Å; A273-F379 HydrophobicContact CB-CD2 4.32Å; A273-F379 HydrophobicContact CB-CE2 4.37Å |
| 274 | M | 95.2 | Very high | 92.3 | Very high | 36 Ų | 36 | 36.5 Ų | 36.5 | 18% | 0.177 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.8 | -42.8 | 176.5 | -71.1 | 171.4 | 171.7 | 0 | 0 | 112.3 | R270 P271 V272 A277 I278 L373 I376 L377 Y886 | R270-M274 HydrophobicContact CG-CE 4.04Å; R270-M274 WeakPolarHBondContact O-CG 3.37Å; R270-M274 PolarHBondContact O-N 2.89Å; R270-M274 VanDerWaalsContact O-N 3.12Å; P271-M274 PolarHBondContact O-N 3.22Å; V272-M274 PolarHBondContact O-N 2.81Å; M274-A277 PolarHBondContact O-N 3.18Å; M274-I278 WeakPolarHBondContact O-CG1 3.43Å; M274-I278 PolarHBondContact O-N 2.9Å; M274-I278 VanDerWaalsContact O-N 3.12Å; M274-L373 HydrophobicContact CB-CD2 4Å; M274-L373 HydrophobicContact CG-CD2 4.15Å; M274-I376 HydrophobicContact CE-CG2 4.29Å; M274-I376 HydrophobicContact CG-CG2 3.71Å; M274-L377 HydrophobicContact CE-CD2 3.61Å; M274-Y886 HydrophobicContact CE-CE1 4.17Å; M274-Y886 HydrophobicContact SD-CE1 4.15Å; M274-Y886 PolarHBondContact SD-OH 3.32Å; M274-Y886 VanDerWaalsContact SD-OH 3.4Å |
| 275 | I | 94.9 | Very high | 92.9 | Very high | 85 Ų | 85 | 39.9 Ų | 39.9 | 44% | 0.436 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.8 | -44.9 | 175.1 | -69.3 | 163.5 | 0 | 0 | 0 | 109.9 | P271 V272 A273 A277 I278 I279 F310 | P271-I275 VanDerWaalsContact O-CG1 3.3Å; P271-I275 WeakPolarHBondContact O-CG1 3.26Å; P271-I275 PolarHBondContact O-N 3.13Å; V272-I275 PolarHBondContact O-N 3.02Å; A273-I275 PolarHBondContact O-N 3.27Å; I275-A277 PolarHBondContact O-N 2.97Å; I275-I278 PolarHBondContact O-N 3.11Å; I275-I279 HydrophobicContact CG2-CD1 3.64Å; I275-I279 HydrophobicContact CG2-CG1 4.35Å; I275-I279 WeakPolarHBondContact O-CG1 3.47Å; I275-I279 PolarHBondContact O-N 2.92Å; I275-F310 HydrophobicContact CG2-CD1 4.3Å |
| 276 | G | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.1 | -44.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V272 A273 I279 T280 G307 F310 | V272-G276 PolarHBondContact O-N 3.21Å; A273-G276 PolarHBondContact O-N 3.31Å; G276-I279 PolarHBondContact O-N 3.26Å; G276-T280 WeakPolarHBondContact O-CB 3.48Å; G276-T280 PolarHBondContact O-N 2.71Å; G276-T280 PolarHBondContact O-OG1 2.98Å; G276-G307 CarbonylContact C-O 3.56Å; G276-G307 WeakPolarHBondContact CA-O 3.45Å; G276-F310 VanDerWaalsContact CA-CB 3.41Å |
| 277 | A | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.1 | -40.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A273 M274 I275 T281 I311 C372 L373 I376 | A273-A277 PolarHBondContact O-N 2.84Å; M274-A277 PolarHBondContact O-N 3.18Å; I275-A277 PolarHBondContact O-N 2.97Å; A277-T281 WeakPolarHBondContact O-CB 3.02Å; A277-T281 PolarHBondContact O-N 3.1Å; A277-T281 PolarHBondContact O-OG1 3.13Å; A277-I311 HydrophobicContact CB-CD1 4.24Å; A277-C372 HydrophobicContact CB-CB 4.11Å; A277-L373 HydrophobicContact CB-CD2 3.83Å; A277-L373 HydrophobicContact CB-CG 4.01Å; A277-I376 HydrophobicContact CB-CD1 3.89Å |
| 278 | I | 96.7 | Very high | 94.8 | Very high | 87 Ų | 87 | 31.1 Ų | 31.1 | 45% | 0.446 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -65.4 | -49.4 | 175.5 | -66.1 | 164.8 | 0 | 0 | 0 | 110.6 | M274 I275 T280 T281 V282 L373 | M274-I278 WeakPolarHBondContact O-CG1 3.43Å; M274-I278 PolarHBondContact O-N 2.9Å; M274-I278 VanDerWaalsContact O-N 3.12Å; I275-I278 PolarHBondContact O-N 3.11Å; I278-T280 VanDerWaalsContact C-N 3.34Å; I278-T280 PolarHBondContact O-N 3.33Å; I278-T281 PolarHBondContact O-N 3.41Å; I278-V282 WeakPolarHBondContact O-CG2 3.34Å; I278-V282 PolarHBondContact O-N 3.26Å; I278-L373 HydrophobicContact CG1-CD1 4.21Å; I278-L373 HydrophobicContact CG1-CD2 4.18Å |
| 279 | I | 96.7 | Very high | 95.2 | Very high | 44 Ų | 44 | 34.9 Ų | 34.9 | 23% | 0.226 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.5 | -45.9 | 179.3 | -67.8 | 170.7 | 0 | 0 | 0 | 110.5 | I275 G276 T281 V282 A283 L303 | I275-I279 HydrophobicContact CG2-CD1 3.64Å; I275-I279 HydrophobicContact CG2-CG1 4.35Å; I275-I279 WeakPolarHBondContact O-CG1 3.47Å; I275-I279 PolarHBondContact O-N 2.92Å; G276-I279 PolarHBondContact O-N 3.26Å; I279-T281 PolarHBondContact O-N 3.36Å; I279-V282 PolarHBondContact O-N 3.24Å; I279-A283 VanDerWaalsContact O-CB 3.24Å; I279-A283 WeakPolarHBondContact O-CB 3.26Å; I279-A283 PolarHBondContact O-N 3Å; I279-L303 HydrophobicContact CG2-CD1 3.8Å; I279-L303 HydrophobicContact CG2-CG 3.98Å; I279-L303 WeakPolarHBondContact CG2-O 3.49Å |
| 280 | T | 96.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.4 | -43.8 | 177.5 | -53.6 | 0 | 0 | 0 | 0 | 111.7 | G276 I278 A283 L284 G307 L308 C369 | G276-T280 WeakPolarHBondContact O-CB 3.48Å; G276-T280 PolarHBondContact O-N 2.71Å; G276-T280 PolarHBondContact O-OG1 2.98Å; I278-T280 VanDerWaalsContact C-N 3.34Å; I278-T280 PolarHBondContact O-N 3.33Å; T280-A283 PolarHBondContact O-N 2.91Å; T280-L284 HydrophobicContact CG2-CD1 3.98Å; T280-L284 HydrophobicContact CG2-CG 4.37Å; T280-L284 WeakPolarHBondContact O-CG 3.29Å; T280-L284 PolarHBondContact O-N 3.05Å; T280-G307 WeakPolarHBondContact OG1-CA 3.35Å; T280-G307 PolarHBondContact OG1-O 3.34Å; T280-L308 HydrophobicContact CG2-CD2 3.61Å; T280-L308 HydrophobicContact CG2-CG 4.04Å; T280-L308 PolarHBondContact OG1-N 3.45Å; T280-C369 HydrophobicContact CG2-CB 4.27Å |
| 281 | T | 96.8 | Very high | 95.3 | Very high | 17 Ų | 17 | 37.5 Ų | 37.5 | 10% | 0.104 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.3 | -47.8 | 178.4 | -58.6 | 0 | 0 | 0 | 0 | 111.1 | A277 I278 I279 L285 F370 | A277-T281 WeakPolarHBondContact O-CB 3.02Å; A277-T281 PolarHBondContact O-N 3.1Å; A277-T281 PolarHBondContact O-OG1 3.13Å; I278-T281 PolarHBondContact O-N 3.41Å; I279-T281 PolarHBondContact O-N 3.36Å; T281-L285 WeakPolarHBondContact O-CB 3.47Å; T281-L285 PolarHBondContact O-N 3.3Å; T281-F370 HydrophobicContact CG2-CB 3.95Å; T281-F370 HydrophobicContact CG2-CD2 4Å; T281-F370 HydrophobicContact CG2-CG 4.39Å; T281-F370 WeakPolarHBondContact OG1-CA 3.35Å; T281-F370 PolarHBondContact OG1-N 2.86Å |
| 282 | V | 97.3 | Very high | 95.4 | Very high | 75 Ų | 75 | 39.2 Ų | 39.2 | 46% | 0.455 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.9 | -41.6 | 178.1 | 174 | 0 | 0 | 0 | 0 | 111.1 | I278 I279 T286 | I278-V282 WeakPolarHBondContact O-CG2 3.34Å; I278-V282 PolarHBondContact O-N 3.26Å; I279-V282 PolarHBondContact O-N 3.24Å; V282-T286 VanDerWaalsContact O-CB 3.28Å; V282-T286 WeakPolarHBondContact O-CB 3.26Å; V282-T286 PolarHBondContact O-N 3.06Å; V282-T286 PolarHBondContact O-OG1 2.84Å |
| 283 | A | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.8 | -53.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I279 T280 T286 S287 T299 L303 | I279-A283 VanDerWaalsContact O-CB 3.24Å; I279-A283 WeakPolarHBondContact O-CB 3.26Å; I279-A283 PolarHBondContact O-N 3Å; T280-A283 PolarHBondContact O-N 2.91Å; A283-T286 PolarHBondContact O-N 3.49Å; A283-S287 WeakPolarHBondContact O-CB 3.3Å; A283-S287 PolarHBondContact O-N 2.91Å; A283-S287 PolarHBondContact O-OG 2.97Å; A283-T299 WeakPolarHBondContact CB-O 3.47Å; A283-L303 HydrophobicContact CB-CB 4.15Å; A283-L303 HydrophobicContact CB-CD2 4.12Å; A283-L303 HydrophobicContact CB-CG 4Å |
| 284 | L | 96.5 | Very high | 95.3 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.3 | -43.9 | -179.9 | -68.1 | 175.1 | 0 | 0 | 0 | 111.9 | I173 T280 S287 A288 F300 L362 L365 A366 C369 | I173-L284 HydrophobicContact CD1-CD1 4.13Å; T280-L284 HydrophobicContact CG2-CD1 3.98Å; T280-L284 HydrophobicContact CG2-CG 4.37Å; T280-L284 WeakPolarHBondContact O-CG 3.29Å; T280-L284 PolarHBondContact O-N 3.05Å; L284-S287 PolarHBondContact O-N 2.83Å; L284-A288 PolarHBondContact O-N 3.49Å; L284-F300 HydrophobicContact CD2-CD2 3.7Å; L284-F300 HydrophobicContact CD2-CE2 3.48Å; L284-F300 VanDerWaalsContact CD2-CE2 3.48Å; L284-L362 HydrophobicContact CD2-CD2 4.27Å; L284-L365 HydrophobicContact CD1-CB 4.34Å; L284-A366 HydrophobicContact CB-CB 3.76Å; L284-C369 HydrophobicContact CD1-CB 4.25Å; L284-C369 VanDerWaalsContact CD1-SG 3.54Å |
| 285 | L | 96.8 | Very high | 95.2 | Very high | 73 Ų | 73 | 48.4 Ų | 48.4 | 38% | 0.382 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 178.9 | -176.7 | 62.3 | 0 | 0 | 0 | 111.7 | T281 A288 F289 I363 A366 | T281-L285 WeakPolarHBondContact O-CB 3.47Å; T281-L285 PolarHBondContact O-N 3.3Å; L285-A288 PolarHBondContact O-N 2.89Å; L285-F289 HydrophobicContact CD1-CE2 3.98Å; L285-F289 HydrophobicContact CG-CE2 4.31Å; L285-F289 WeakPolarHBondContact O-CD2 3.18Å; L285-F289 WeakPolarHBondContact O-CE2 3.43Å; L285-I363 HydrophobicContact CD1-CG1 4.35Å; L285-I363 HydrophobicContact CD1-CG2 4.3Å; L285-A366 HydrophobicContact CB-CB 3.98Å |
| 286 | T | 96.2 | Very high | 95.2 | Very high | 64 Ų | 64 | 44.5 Ų | 44.5 | 39% | 0.393 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.9 | -42.4 | 176.6 | -52.5 | 0 | 0 | 0 | 0 | 110.8 | V282 A283 A288 F289 T299 | V282-T286 VanDerWaalsContact O-CB 3.28Å; V282-T286 WeakPolarHBondContact O-CB 3.26Å; V282-T286 PolarHBondContact O-N 3.06Å; V282-T286 PolarHBondContact O-OG1 2.84Å; A283-T286 PolarHBondContact O-N 3.49Å; T286-A288 PolarHBondContact O-N 3.01Å; T286-F289 PolarHBondContact O-N 2.94Å; T286-T299 HydrophobicContact CG2-CG2 3.86Å |
| 287 | S | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.9 | -30.1 | -178.8 | -58.1 | 0 | 0 | 0 | 0 | 113.4 | A283 L284 F289 V290 T299 F300 | A283-S287 WeakPolarHBondContact O-CB 3.3Å; A283-S287 PolarHBondContact O-N 2.91Å; A283-S287 PolarHBondContact O-OG 2.97Å; L284-S287 PolarHBondContact O-N 2.83Å; S287-F289 PolarHBondContact O-N 3.48Å; S287-V290 PolarHBondContact O-N 3.3Å; S287-T299 WeakPolarHBondContact CA-OG1 3.34Å; S287-T299 VanDerWaalsContact OG-CB 3.25Å; S287-T299 WeakPolarHBondContact OG-CB 3.38Å; S287-T299 PolarHBondContact OG-OG1 3.5Å; S287-F300 WeakPolarHBondContact OG-CA 3.3Å; S287-F300 WeakPolarHBondContact OG-CB 3.41Å; S287-F300 PolarHBondContact OG-N 3.24Å; S287-F300 VanDerWaalsContact OG-N 3.1Å |
| 288 | A | 94.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 50 Ų | 50 | 2% | 0.017 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -24.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L284 L285 T286 R359 L362 I363 | L284-A288 PolarHBondContact O-N 3.49Å; L285-A288 PolarHBondContact O-N 2.89Å; T286-A288 PolarHBondContact O-N 3.01Å; A288-R359 VanDerWaalsContact O-CD 3.27Å; A288-R359 WeakPolarHBondContact O-CD 3.38Å; A288-R359 WeakPolarHBondContact O-CG 3.35Å; A288-L362 HydrophobicContact CB-CB 3.92Å; A288-I363 HydrophobicContact CB-CD1 4.18Å; A288-I363 HydrophobicContact CB-CG1 3.55Å |
| 289 | F | 94.5 | Very high | 95.3 | Very high | 144 Ų | 144 | 46.4 Ų | 46.4 | 63% | 0.632 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100 | 0.6 | -179 | -58.9 | -71 | 0 | 0 | 0 | 113.6 | L285 T286 S287 I363 | L285-F289 HydrophobicContact CD1-CE2 3.98Å; L285-F289 HydrophobicContact CG-CE2 4.31Å; L285-F289 WeakPolarHBondContact O-CD2 3.18Å; L285-F289 WeakPolarHBondContact O-CE2 3.43Å; T286-F289 PolarHBondContact O-N 2.94Å; S287-F289 PolarHBondContact O-N 3.48Å; F289-I363 HydrophobicContact CE1-CD1 4.47Å; F289-I363 HydrophobicContact CZ-CD1 4.08Å |
| 290 | V | 94.7 | Very high | 95.2 | Very high | 15 Ų | 15 | 44.3 Ų | 44.3 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | trans | -75.8 | 144 | -177.6 | 173.8 | 0 | 0 | 0 | 0 | 111.8 | F234 S287 T292 M295 F296 T299 | F234-V290 HydrophobicContact CE1-CG1 4.29Å; S287-V290 PolarHBondContact O-N 3.3Å; V290-T292 WeakPolarHBondContact CG1-O 3.38Å; V290-M295 HydrophobicContact CG1-CB 3.58Å; V290-M295 HydrophobicContact CG2-CB 4.33Å; V290-F296 HydrophobicContact CB-CB 4.47Å; V290-F296 HydrophobicContact CG1-CB 3.89Å; V290-T299 HydrophobicContact CG2-CG2 4.44Å | ||
| 291 | T | 89.4 | Confident | 95.1 | Very high | 105 Ų | 105 | 44.3 Ų | 44.3 | 64% | 0.644 | 24% | 0.237 | S | C | * | . | trans | -117.2 | 0.4 | -179.4 | 53.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 292 | T | 92.8 | Very high | 95.1 | Very high | 68 Ų | 68 | 47.1 Ų | 47.1 | 42% | 0.417 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -134.3 | 139.8 | 178.3 | 63.2 | 0 | 0 | 0 | 0 | 111.9 | V290 E294 M295 F296 | V290-T292 WeakPolarHBondContact CG1-O 3.38Å; T292-E294 PolarHBondContact O-N 3.11Å; T292-M295 PolarHBondContact O-N 3.33Å; T292-M295 WeakPolarHBondContact OG1-CB 3.19Å; T292-M295 WeakPolarHBondContact OG1-CG 3.38Å; T292-F296 PolarHBondContact O-N 3.42Å |
| 293 | I | 91.7 | Very high | 95.1 | Very high | 15 Ų | 15 | 46.5 Ų | 46.5 | 8% | 0.077 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63 | -29.5 | -175.5 | -166 | 56.9 | 0 | 0 | 0 | 113.3 | F234 I236 I241 L242 P245 F296 T297 | F234-I293 HydrophobicContact CB-CB 4.36Å; F234-I293 HydrophobicContact CD2-CD1 3.8Å; F234-I293 HydrophobicContact CE2-CD1 4.08Å; F234-I293 HydrophobicContact CG-CB 4.38Å; F234-I293 HydrophobicContact CG-CD1 4.5Å; I236-I293 HydrophobicContact CD1-CB 4.22Å; I236-I293 HydrophobicContact CD1-CG2 3.47Å; I236-I293 VanDerWaalsContact CD1-CG2 3.47Å; I241-I293 HydrophobicContact CG2-CG1 3.91Å; I241-I293 HydrophobicContact CG2-CG2 4.28Å; L242-I293 HydrophobicContact CD1-CD1 4.11Å; P245-I293 HydrophobicContact CG-CD1 4.31Å; I293-F296 HydrophobicContact CD1-CD1 4.09Å; I293-F296 PolarHBondContact O-N 2.98Å; I293-T297 WeakPolarHBondContact O-CB 3.33Å; I293-T297 PolarHBondContact O-N 3.39Å; I293-T297 PolarHBondContact O-OG1 3.04Å |
| 294 | E | 93.3 | Very high | 95 | Very high | 135 Ų | 135 | 46.5 Ų | 46.5 | 63% | 0.631 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -67.2 | -50.7 | 179.1 | -62.7 | -175.7 | 174.3 | 0 | 0 | 111.1 | T292 F296 T297 L298 | T292-E294 PolarHBondContact O-N 3.11Å; E294-F296 PolarHBondContact O-N 3.39Å; E294-T297 PolarHBondContact O-N 3.22Å; E294-L298 WeakPolarHBondContact O-CB 3.34Å; E294-L298 PolarHBondContact O-N 3.48Å |
| 295 | M | 94.2 | Very high | 95 | Very high | 85 Ų | 85 | 46.4 Ų | 46.4 | 42% | 0.419 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.6 | -35 | 173.6 | -71.8 | -68.6 | -173.7 | 0 | 0 | 111.1 | V290 T292 L298 T299 F999 | V290-M295 HydrophobicContact CG1-CB 3.58Å; V290-M295 HydrophobicContact CG2-CB 4.33Å; T292-M295 PolarHBondContact O-N 3.33Å; T292-M295 WeakPolarHBondContact OG1-CB 3.19Å; T292-M295 WeakPolarHBondContact OG1-CG 3.38Å; M295-L298 WeakPolarHBondContact O-CB 3.2Å; M295-L298 PolarHBondContact O-N 3.44Å; M295-T299 WeakPolarHBondContact O-CG2 3.37Å; M295-T299 PolarHBondContact O-N 3.12Å; M295-T299 PolarHBondContact O-OG1 2.81Å; M295-T299 VanDerWaalsContact O-OG1 3.11Å; M295-F999 HydrophobicContact CE-CE1 4.44Å; M295-F999 HydrophobicContact CE-CZ 4.39Å |
| 296 | F | 95.5 | Very high | 94.9 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 1% | 0.013 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.2 | -38.1 | 178.4 | -175.7 | -99.4 | 0 | 0 | 0 | 111.4 | Y177 F234 P245 V290 T292 I293 E294 L298 T299 F300 W358 L362 | Y177-F296 HydrophobicContact CE2-CE1 4.16Å; Y177-F296 HydrophobicContact CE2-CZ 4.46Å; F234-F296 HydrophobicContact CE1-CB 4.48Å; F234-F296 HydrophobicContact CE2-CB 4.12Å; F234-F296 HydrophobicContact CE2-CD1 4.08Å; F234-F296 HydrophobicContact CE2-CD2 4.22Å; F234-F296 AromaticContact CE2-CG 3.88Å; F234-F296 HydrophobicContact CE2-CG 3.88Å; F234-F296 HydrophobicContact CZ-CB 3.76Å; F234-F296 HydrophobicContact CZ-CD1 4.43Å; F234-F296 AromaticContact CZ-CD2 3.87Å; F234-F296 HydrophobicContact CZ-CD2 3.87Å; F234-F296 AromaticContact CZ-CG 3.77Å; F234-F296 HydrophobicContact CZ-CG 3.77Å; P245-F296 HydrophobicContact CB-CD1 4.05Å; P245-F296 HydrophobicContact CB-CE1 3.91Å; P245-F296 HydrophobicContact CG-CD1 3.69Å; P245-F296 HydrophobicContact CG-CE1 3.91Å; V290-F296 HydrophobicContact CB-CB 4.47Å; V290-F296 HydrophobicContact CG1-CB 3.89Å; T292-F296 PolarHBondContact O-N 3.42Å; I293-F296 HydrophobicContact CD1-CD1 4.09Å; I293-F296 PolarHBondContact O-N 2.98Å; E294-F296 PolarHBondContact O-N 3.39Å; F296-L298 VanDerWaalsContact C-N 3.29Å; F296-L298 PolarHBondContact O-N 2.9Å; F296-T299 PolarHBondContact O-N 3.33Å; F296-F300 HydrophobicContact CD1-CB 4.42Å; F296-F300 HydrophobicContact CD2-CB 4.4Å; F296-F300 HydrophobicContact CE1-CB 4.14Å; F296-F300 HydrophobicContact CE1-CD1 4.5Å; F296-F300 HydrophobicContact CE1-CG 4.29Å; F296-F300 HydrophobicContact CE2-CB 4.12Å; F296-F300 HydrophobicContact CE2-CG 4.46Å; F296-F300 HydrophobicContact CZ-CB 3.98Å; F296-F300 HydrophobicContact CZ-CD2 4.22Å; F296-F300 AromaticContact CZ-CG 3.98Å; F296-F300 HydrophobicContact CZ-CG 3.98Å; F296-F300 WeakPolarHBondContact O-CA 3.05Å; F296-F300 WeakPolarHBondContact O-CB 3.41Å; F296-F300 PolarHBondContact O-N 2.9Å; F296-W358 HydrophobicContact CD2-CZ3 4.45Å; F296-W358 AromaticContact CE2-CZ3 3.95Å; F296-W358 HydrophobicContact CE2-CZ3 3.95Å; F296-L362 HydrophobicContact CE2-CD1 3.82Å; F296-L362 HydrophobicContact CZ-CD1 4.33Å |
| 297 | T | 95.7 | Very high | 94.9 | Very high | 27 Ų | 27 | 42.1 Ų | 42.1 | 17% | 0.166 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -64.7 | -35.6 | 171.9 | -53.4 | 0 | 0 | 0 | 0 | 111.2 | T244 L248 I293 E294 G301 L302 | T244-T297 HydrophobicContact CG2-CG2 3.96Å; L248-T297 HydrophobicContact CD1-CG2 4.34Å; I293-T297 WeakPolarHBondContact O-CB 3.33Å; I293-T297 PolarHBondContact O-N 3.39Å; I293-T297 PolarHBondContact O-OG1 3.04Å; E294-T297 PolarHBondContact O-N 3.22Å; T297-G301 CarbonylContact O-C 3.58Å; T297-G301 WeakPolarHBondContact O-CA 3.31Å; T297-G301 PolarHBondContact O-N 3.43Å; T297-G301 VanDerWaalsContact O-N 3.13Å; T297-L302 PolarHBondContact O-N 3.49Å |
| 298 | L | 96.2 | Very high | 94.9 | Very high | 87 Ų | 87 | 42.2 Ų | 42.2 | 46% | 0.455 | 22% | 0.22 | S | C | . | . | I | π-helix | trans | -70.9 | -45.7 | 175.9 | -166.8 | 160.1 | 0 | 0 | 0 | 112.1 | E294 M295 F296 L302 L303 | E294-L298 WeakPolarHBondContact O-CB 3.34Å; E294-L298 PolarHBondContact O-N 3.48Å; M295-L298 WeakPolarHBondContact O-CB 3.2Å; M295-L298 PolarHBondContact O-N 3.44Å; F296-L298 VanDerWaalsContact C-N 3.29Å; F296-L298 PolarHBondContact O-N 2.9Å; L298-L302 HydrophobicContact CG-CD2 4.37Å; L298-L302 WeakPolarHBondContact O-CB 3.46Å; L298-L302 PolarHBondContact O-N 2.93Å; L298-L303 PolarHBondContact O-N 3.18Å |
| 299 | T | 96.3 | Very high | 94.8 | Very high | 13 Ų | 13 | 42.1 Ų | 42.1 | 8% | 0.08 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -80 | -52 | -177.8 | 59 | 0 | 0 | 0 | 0 | 112.3 | A283 T286 S287 V290 M295 F296 G304 | A283-T299 WeakPolarHBondContact CB-O 3.47Å; T286-T299 HydrophobicContact CG2-CG2 3.86Å; S287-T299 WeakPolarHBondContact CA-OG1 3.34Å; S287-T299 VanDerWaalsContact OG-CB 3.25Å; S287-T299 WeakPolarHBondContact OG-CB 3.38Å; S287-T299 PolarHBondContact OG-OG1 3.5Å; V290-T299 HydrophobicContact CG2-CG2 4.44Å; M295-T299 WeakPolarHBondContact O-CG2 3.37Å; M295-T299 PolarHBondContact O-N 3.12Å; M295-T299 PolarHBondContact O-OG1 2.81Å; M295-T299 VanDerWaalsContact O-OG1 3.11Å; F296-T299 PolarHBondContact O-N 3.33Å; T299-G304 PolarHBondContact O-N 3.44Å |
| 300 | F | 96.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -77.2 | -48 | -176.8 | -173 | -88.9 | 0 | 0 | 0 | 111.3 | I173 Y177 L180 P245 I249 L284 S287 F296 G304 L362 | I173-F300 HydrophobicContact CG2-CZ 4.34Å; Y177-F300 HydrophobicContact CD2-CD1 4.18Å; Y177-F300 AromaticContact CD2-CE1 3.31Å; Y177-F300 HydrophobicContact CD2-CE1 3.31Å; Y177-F300 AromaticContact CD2-CZ 3.6Å; Y177-F300 HydrophobicContact CD2-CZ 3.6Å; Y177-F300 AromaticContact CE2-CD1 3.99Å; Y177-F300 HydrophobicContact CE2-CD1 3.99Å; Y177-F300 AromaticContact CE2-CE1 3.59Å; Y177-F300 HydrophobicContact CE2-CE1 3.59Å; Y177-F300 HydrophobicContact CE2-CZ 4.13Å; Y177-F300 HydrophobicContact CG-CE1 4.27Å; L180-F300 HydrophobicContact CD1-CZ 4.49Å; P245-F300 HydrophobicContact CB-CD1 3.91Å; I249-F300 HydrophobicContact CB-CE1 4.38Å; I249-F300 HydrophobicContact CD1-CD1 4.11Å; I249-F300 HydrophobicContact CD1-CE1 3.68Å; I249-F300 HydrophobicContact CD1-CE2 4.47Å; I249-F300 HydrophobicContact CD1-CZ 3.87Å; I249-F300 WeakPolarHBondContact CD1-O 3.39Å; I249-F300 HydrophobicContact CG2-CE1 4.04Å; L284-F300 HydrophobicContact CD2-CD2 3.7Å; L284-F300 HydrophobicContact CD2-CE2 3.48Å; L284-F300 VanDerWaalsContact CD2-CE2 3.48Å; S287-F300 WeakPolarHBondContact OG-CA 3.3Å; S287-F300 WeakPolarHBondContact OG-CB 3.41Å; S287-F300 PolarHBondContact OG-N 3.24Å; S287-F300 VanDerWaalsContact OG-N 3.1Å; F296-F300 HydrophobicContact CD1-CB 4.42Å; F296-F300 HydrophobicContact CD2-CB 4.4Å; F296-F300 HydrophobicContact CE1-CB 4.14Å; F296-F300 HydrophobicContact CE1-CD1 4.5Å; F296-F300 HydrophobicContact CE1-CG 4.29Å; F296-F300 HydrophobicContact CE2-CB 4.12Å; F296-F300 HydrophobicContact CE2-CG 4.46Å; F296-F300 HydrophobicContact CZ-CB 3.98Å; F296-F300 HydrophobicContact CZ-CD2 4.22Å; F296-F300 AromaticContact CZ-CG 3.98Å; F296-F300 HydrophobicContact CZ-CG 3.98Å; F296-F300 WeakPolarHBondContact O-CA 3.05Å; F296-F300 WeakPolarHBondContact O-CB 3.41Å; F296-F300 PolarHBondContact O-N 2.9Å; F300-G304 WeakPolarHBondContact O-CA 3.38Å; F300-L362 HydrophobicContact CD2-CD2 3.9Å; F300-L362 HydrophobicContact CE2-CD2 3.6Å |
| 301 | G | 95.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -72.2 | -69.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T297 G305 | T297-G301 CarbonylContact O-C 3.58Å; T297-G301 WeakPolarHBondContact O-CA 3.31Å; T297-G301 PolarHBondContact O-N 3.43Å; T297-G301 VanDerWaalsContact O-N 3.13Å; G301-G305 WeakPolarHBondContact O-CA 3.27Å; G301-G305 PolarHBondContact O-N 3.37Å |
| 302 | L | 96 | Very high | 95 | Very high | 77 Ų | 77 | 31.4 Ų | 31.4 | 40% | 0.403 | 16% | 0.162 | S | C | . | . | I | π-helix | trans | -68.9 | -61.3 | -170.4 | 176.9 | 67 | 0 | 0 | 0 | 111.8 | L248 L252 T297 L298 G305 I306 | L248-L302 HydrophobicContact CD2-CB 4.05Å; L248-L302 VanDerWaalsContact CD2-N 3.28Å; L252-L302 HydrophobicContact CD1-CB 4.33Å; L252-L302 HydrophobicContact CD1-CD1 3.52Å; L252-L302 HydrophobicContact CD1-CG 4.46Å; T297-L302 PolarHBondContact O-N 3.49Å; L298-L302 HydrophobicContact CG-CD2 4.37Å; L298-L302 WeakPolarHBondContact O-CB 3.46Å; L298-L302 PolarHBondContact O-N 2.93Å; L302-G305 PolarHBondContact O-N 3.4Å; L302-I306 HydrophobicContact CD1-CD1 3.98Å; L302-I306 HydrophobicContact CG-CD1 4.13Å; L302-I306 WeakPolarHBondContact O-CD1 3.29Å; L302-I306 WeakPolarHBondContact O-CG1 3.43Å; L302-I306 PolarHBondContact O-N 3.25Å |
| 303 | L | 96.5 | Very high | 94.8 | Very high | 61 Ų | 61 | 28.7 Ų | 28.7 | 32% | 0.319 | 15% | 0.145 | S | C | . | . | I | π-helix | trans | -68.6 | -38.9 | -177.4 | -169.5 | 66.9 | 0 | 0 | 0 | 112.3 | I279 A283 L298 I306 G307 | I279-L303 HydrophobicContact CG2-CD1 3.8Å; I279-L303 HydrophobicContact CG2-CG 3.98Å; I279-L303 WeakPolarHBondContact CG2-O 3.49Å; A283-L303 HydrophobicContact CB-CB 4.15Å; A283-L303 HydrophobicContact CB-CD2 4.12Å; A283-L303 HydrophobicContact CB-CG 4Å; L298-L303 PolarHBondContact O-N 3.18Å; L303-I306 PolarHBondContact O-N 3.12Å; L303-G307 PolarHBondContact O-N 3.49Å |
| 304 | G | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.5 | -45.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | T299 F300 I306 G307 L308 | T299-G304 PolarHBondContact O-N 3.44Å; F300-G304 WeakPolarHBondContact O-CA 3.38Å; G304-I306 PolarHBondContact O-N 3.02Å; G304-G307 PolarHBondContact O-N 3.44Å; G304-L308 WeakPolarHBondContact O-CB 3.32Å; G304-L308 WeakPolarHBondContact O-CG 3.37Å; G304-L308 PolarHBondContact O-N 3.01Å |
| 305 | G | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.3 | -38.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y253 G301 L302 S309 | Y253-G305 WeakPolarHBondContact CA-O 3.33Å; Y253-G305 PolarHBondContact N-O 3.36Å; G301-G305 WeakPolarHBondContact O-CA 3.27Å; G301-G305 PolarHBondContact O-N 3.37Å; L302-G305 PolarHBondContact O-N 3.4Å; G305-S309 PolarHBondContact O-N 2.95Å |
| 306 | I | 96.2 | Very high | 94.3 | Very high | 47 Ų | 47 | 18.4 Ų | 18.4 | 24% | 0.241 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.5 | -52.1 | 170.9 | -66.4 | 161.2 | 0 | 0 | 0 | 110.3 | L256 L302 L303 G304 L308 S309 F310 | L256-I306 HydrophobicContact CD1-CB 4.29Å; L256-I306 HydrophobicContact CD1-CG1 3.87Å; L256-I306 HydrophobicContact CD1-CG2 4.2Å; L302-I306 HydrophobicContact CD1-CD1 3.98Å; L302-I306 HydrophobicContact CG-CD1 4.13Å; L302-I306 WeakPolarHBondContact O-CD1 3.29Å; L302-I306 WeakPolarHBondContact O-CG1 3.43Å; L302-I306 PolarHBondContact O-N 3.25Å; L303-I306 PolarHBondContact O-N 3.12Å; G304-I306 PolarHBondContact O-N 3.02Å; I306-L308 PolarHBondContact O-N 3.31Å; I306-S309 WeakPolarHBondContact O-CB 3.41Å; I306-S309 PolarHBondContact O-N 2.87Å; I306-F310 HydrophobicContact CG2-CD2 4.49Å; I306-F310 HydrophobicContact CG2-CE2 4.3Å; I306-F310 VanDerWaalsContact O-CD2 3.3Å; I306-F310 WeakPolarHBondContact O-CD2 3.33Å; I306-F310 PolarHBondContact O-N 3.42Å |
| 307 | G | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.7 | -44.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G276 T280 L303 G304 S309 F310 I311 | G276-G307 CarbonylContact C-O 3.56Å; G276-G307 WeakPolarHBondContact CA-O 3.45Å; T280-G307 WeakPolarHBondContact OG1-CA 3.35Å; T280-G307 PolarHBondContact OG1-O 3.34Å; L303-G307 PolarHBondContact O-N 3.49Å; G304-G307 PolarHBondContact O-N 3.44Å; G307-S309 PolarHBondContact O-N 3.48Å; G307-F310 PolarHBondContact O-N 3.24Å; G307-I311 PolarHBondContact O-N 2.69Å |
| 308 | L | 95.5 | Very high | 93.4 | Very high | 3 Ų | 3 | 18.3 Ų | 18.3 | 2% | 0.016 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.8 | -33.6 | 178.2 | -70.1 | 178.1 | 0 | 0 | 0 | 112.6 | V170 I249 T280 G304 I306 F310 I311 Y312 | V170-L308 HydrophobicContact CB-CD2 4.34Å; V170-L308 HydrophobicContact CG1-CB 4.33Å; V170-L308 HydrophobicContact CG1-CD2 4.28Å; V170-L308 HydrophobicContact CG2-CD2 3.98Å; I249-L308 HydrophobicContact CD1-CD1 3.63Å; I249-L308 HydrophobicContact CG1-CD1 3.74Å; T280-L308 HydrophobicContact CG2-CD2 3.61Å; T280-L308 HydrophobicContact CG2-CG 4.04Å; T280-L308 PolarHBondContact OG1-N 3.45Å; G304-L308 WeakPolarHBondContact O-CB 3.32Å; G304-L308 WeakPolarHBondContact O-CG 3.37Å; G304-L308 PolarHBondContact O-N 3.01Å; I306-L308 PolarHBondContact O-N 3.31Å; L308-F310 VanDerWaalsContact C-N 3.28Å; L308-F310 PolarHBondContact O-N 2.87Å; L308-I311 HydrophobicContact CD2-CD1 4.32Å; L308-I311 PolarHBondContact O-N 2.86Å; L308-I311 VanDerWaalsContact O-N 3.1Å; L308-Y312 WeakPolarHBondContact O-CB 3.45Å; L308-Y312 PolarHBondContact O-N 3.27Å |
| 309 | S | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57.4 | -45.5 | 175.3 | -159.4 | 0 | 0 | 0 | 0 | 111.5 | Y253 V260 G305 I306 G307 I311 Y312 L313 | Y253-S309 WeakPolarHBondContact O-CA 3.45Å; Y253-S309 VanDerWaalsContact O-CB 3.31Å; Y253-S309 WeakPolarHBondContact O-CB 3.49Å; Y253-S309 PolarHBondContact O-OG 2.8Å; V260-S309 WeakPolarHBondContact CG2-OG 3.41Å; G305-S309 PolarHBondContact O-N 2.95Å; I306-S309 WeakPolarHBondContact O-CB 3.41Å; I306-S309 PolarHBondContact O-N 2.87Å; G307-S309 PolarHBondContact O-N 3.48Å; S309-I311 PolarHBondContact O-N 3.39Å; S309-Y312 PolarHBondContact O-N 3.22Å; S309-L313 PolarHBondContact O-N 3.48Å |
| 310 | F | 94.2 | Very high | 92.2 | Very high | 25 Ų | 25 | 14 Ų | 14 | 11% | 0.11 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -66 | -20.8 | 180 | -83 | -119.1 | 0 | 0 | 0 | 112.5 | V260 L263 V272 A273 I275 G276 I306 G307 L308 P314 | V260-F310 HydrophobicContact CG2-CD2 3.53Å; V260-F310 HydrophobicContact CG2-CE2 3.7Å; V260-F310 HydrophobicContact CG2-CG 4.15Å; V260-F310 HydrophobicContact CG2-CZ 4.43Å; L263-F310 HydrophobicContact CD1-CE1 3.73Å; L263-F310 HydrophobicContact CD1-CZ 3.6Å; V272-F310 HydrophobicContact CG1-CB 4.42Å; V272-F310 HydrophobicContact CG1-CD1 3.64Å; V272-F310 HydrophobicContact CG1-CE1 4.23Å; V272-F310 HydrophobicContact CG1-CG 4.24Å; A273-F310 VanDerWaalsContact CA-O 3.25Å; A273-F310 WeakPolarHBondContact CA-O 3.25Å; I275-F310 HydrophobicContact CG2-CD1 4.3Å; G276-F310 VanDerWaalsContact CA-CB 3.41Å; I306-F310 HydrophobicContact CG2-CD2 4.49Å; I306-F310 HydrophobicContact CG2-CE2 4.3Å; I306-F310 VanDerWaalsContact O-CD2 3.3Å; I306-F310 WeakPolarHBondContact O-CD2 3.33Å; I306-F310 PolarHBondContact O-N 3.42Å; G307-F310 PolarHBondContact O-N 3.24Å; L308-F310 VanDerWaalsContact C-N 3.28Å; L308-F310 PolarHBondContact O-N 2.87Å; F310-P314 VanDerWaalsContact O-CD 3.24Å; F310-P314 WeakPolarHBondContact O-CD 3.33Å; F310-P314 WeakPolarHBondContact O-CG 3.42Å |
| 311 | I | 95 | Very high | 91.5 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -88.2 | -45.9 | 171.2 | -54.1 | 172.8 | 0 | 0 | 0 | 111 | C166 V170 A277 G307 L308 S309 A315 | C166-I311 HydrophobicContact CB-CG2 3.99Å; V170-I311 HydrophobicContact CG2-CB 4.05Å; V170-I311 HydrophobicContact CG2-CG2 3.78Å; A277-I311 HydrophobicContact CB-CD1 4.24Å; G307-I311 PolarHBondContact O-N 2.69Å; L308-I311 HydrophobicContact CD2-CD1 4.32Å; L308-I311 PolarHBondContact O-N 2.86Å; L308-I311 VanDerWaalsContact O-N 3.1Å; S309-I311 PolarHBondContact O-N 3.39Å; I311-A315 VanDerWaalsContact O-CB 3.3Å; I311-A315 WeakPolarHBondContact O-CB 3.21Å; I311-A315 PolarHBondContact O-N 3.23Å |
| 312 | Y | 92.1 | Very high | 90.9 | Very high | 12 Ų | 12 | 19.5 Ų | 19.5 | 5% | 0.047 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.8 | -55.9 | -170.9 | -180 | -100.1 | 0 | 0 | 0 | 112.9 | M167 V170 Y253 L254 L308 S309 A315 I316 L1295 | M167-Y312 HydrophobicContact CE-CD2 3.53Å; M167-Y312 HydrophobicContact CE-CE2 3.97Å; M167-Y312 HydrophobicContact CE-CG 4.16Å; M167-Y312 WeakPolarHBondContact CE-O 3.36Å; M167-Y312 HydrophobicContact SD-CD2 3.88Å; M167-Y312 HydrophobicContact SD-CE2 3.82Å; V170-Y312 HydrophobicContact CG1-CD2 4.02Å; Y253-Y312 AromaticContact CD2-CD1 3.85Å; Y253-Y312 HydrophobicContact CD2-CD1 3.85Å; Y253-Y312 AromaticContact CD2-CD2 3.91Å; Y253-Y312 HydrophobicContact CD2-CD2 3.91Å; Y253-Y312 HydrophobicContact CD2-CE1 4.3Å; Y253-Y312 HydrophobicContact CD2-CE2 4.35Å; Y253-Y312 AromaticContact CD2-CG 3.64Å; Y253-Y312 HydrophobicContact CD2-CG 3.64Å; Y253-Y312 AromaticContact CE2-CD1 3.88Å; Y253-Y312 HydrophobicContact CE2-CD1 3.88Å; Y253-Y312 AromaticContact CE2-CD2 3.51Å; Y253-Y312 HydrophobicContact CE2-CD2 3.51Å; Y253-Y312 AromaticContact CE2-CE1 3.91Å; Y253-Y312 HydrophobicContact CE2-CE1 3.91Å; Y253-Y312 AromaticContact CE2-CE2 3.54Å; Y253-Y312 HydrophobicContact CE2-CE2 3.54Å; Y253-Y312 AromaticContact CE2-CG 3.69Å; Y253-Y312 HydrophobicContact CE2-CG 3.69Å; Y253-Y312 AromaticContact CE2-CZ 3.74Å; L254-Y312 HydrophobicContact CD2-CE1 4.04Å; L308-Y312 WeakPolarHBondContact O-CB 3.45Å; L308-Y312 PolarHBondContact O-N 3.27Å; S309-Y312 PolarHBondContact O-N 3.22Å; Y312-A315 PolarHBondContact O-N 2.93Å; Y312-I316 HydrophobicContact CD1-CD1 4.19Å; Y312-I316 HydrophobicContact CD2-CD1 4.25Å; Y312-I316 HydrophobicContact CE1-CD1 3.62Å; Y312-I316 HydrophobicContact CE2-CD1 3.69Å; Y312-I316 HydrophobicContact CG-CD1 4.48Å; Y312-I316 PolarHBondContact O-N 3.08Å; Y312-L1295 HydrophobicContact CE1-CD2 4.39Å |
| 313 | L | 89.8 | Confident | 90.3 | Very high | 11 Ų | 11 | 16 Ų | 16 | 6% | 0.058 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -68.5 | -44.3 | -172.6 | -173.7 | 151.6 | 0 | 0 | 0 | 112.2 | G257 V260 S309 A315 I316 A317 L1295 | G257-L313 WeakPolarHBondContact O-CD1 3.5Å; V260-L313 HydrophobicContact CB-CB 4.34Å; V260-L313 HydrophobicContact CB-CD1 4.48Å; V260-L313 HydrophobicContact CG1-CB 3.94Å; V260-L313 HydrophobicContact CG1-CD2 4.23Å; S309-L313 PolarHBondContact O-N 3.48Å; L313-A315 VanDerWaalsContact C-N 3.32Å; L313-A315 PolarHBondContact O-N 2.87Å; L313-I316 PolarHBondContact O-N 3.5Å; L313-A317 HydrophobicContact CD2-CB 4.3Å; L313-A317 WeakPolarHBondContact O-CB 3.31Å; L313-A317 PolarHBondContact O-N 3.37Å; L313-L1295 HydrophobicContact CD1-CD1 3.95Å |
| 314 | P | 90.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.7 | -36.2 | 174.5 | -29.4 | 40.5 | 0 | 0 | 0 | 113.9 | V260 F269 V272 A273 F310 I316 A317 T318 | V260-P314 HydrophobicContact CG1-CG 4.07Å; F269-P314 HydrophobicContact CB-CB 3.98Å; F269-P314 HydrophobicContact CD1-CB 4.12Å; F269-P314 WeakPolarHBondContact O-CB 3.29Å; V272-P314 HydrophobicContact CB-CG 4.36Å; V272-P314 HydrophobicContact CG1-CG 3.95Å; A273-P314 HydrophobicContact CB-CB 4.12Å; A273-P314 HydrophobicContact CB-CG 4.45Å; F310-P314 VanDerWaalsContact O-CD 3.24Å; F310-P314 WeakPolarHBondContact O-CD 3.33Å; F310-P314 WeakPolarHBondContact O-CG 3.42Å; P314-I316 PolarHBondContact O-N 3.05Å; P314-A317 PolarHBondContact O-N 3.37Å; P314-T318 WeakPolarHBondContact O-CB 3.2Å; P314-T318 VanDerWaalsContact O-CG2 3.24Å; P314-T318 WeakPolarHBondContact O-CG2 3.34Å; P314-T318 PolarHBondContact O-N 2.91Å; P314-T318 PolarHBondContact O-OG1 3.46Å |
| 315 | A | 91.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.9 | -41.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S163 C166 M167 I311 Y312 L313 T318 F379 | S163-A315 WeakPolarHBondContact CB-O 3.3Å; S163-A315 PolarHBondContact OG-O 3.31Å; C166-A315 HydrophobicContact CB-CB 4.12Å; M167-A315 HydrophobicContact CE-CB 3.65Å; I311-A315 VanDerWaalsContact O-CB 3.3Å; I311-A315 WeakPolarHBondContact O-CB 3.21Å; I311-A315 PolarHBondContact O-N 3.23Å; Y312-A315 PolarHBondContact O-N 2.93Å; L313-A315 VanDerWaalsContact C-N 3.32Å; L313-A315 PolarHBondContact O-N 2.87Å; A315-T318 PolarHBondContact O-OG1 2.93Å; A315-F379 HydrophobicContact CB-CE2 4.14Å; A315-F379 HydrophobicContact CB-CZ 3.81Å |
| 316 | I | 86.9 | Confident | 87.6 | Confident | 18 Ų | 18 | 30.5 Ų | 30.5 | 9% | 0.092 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -74.4 | -45.8 | 175.5 | -69.2 | 163.8 | 0 | 0 | 0 | 111.2 | M167 Y312 L313 P314 T318 G320 L335 | M167-I316 HydrophobicContact CE-CD1 3.92Å; M167-I316 HydrophobicContact CE-CG1 3.72Å; M167-I316 HydrophobicContact SD-CD1 4.19Å; M167-I316 HydrophobicContact SD-CG1 4.22Å; Y312-I316 HydrophobicContact CD1-CD1 4.19Å; Y312-I316 HydrophobicContact CD2-CD1 4.25Å; Y312-I316 HydrophobicContact CE1-CD1 3.62Å; Y312-I316 HydrophobicContact CE2-CD1 3.69Å; Y312-I316 HydrophobicContact CG-CD1 4.48Å; Y312-I316 PolarHBondContact O-N 3.08Å; L313-I316 PolarHBondContact O-N 3.5Å; P314-I316 PolarHBondContact O-N 3.05Å; I316-T318 PolarHBondContact O-N 3.23Å; I316-G320 PolarHBondContact O-N 3.47Å; I316-L335 HydrophobicContact CD1-CD2 3.8Å; I316-L335 HydrophobicContact CG1-CD2 3.97Å |
| 317 | A | 84.5 | Confident | 86.8 | Confident | 22 Ų | 22 | 31.5 Ų | 31.5 | 18% | 0.182 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67 | -38.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F269 L313 P314 G320 H321 | F269-A317 HydrophobicContact CD1-CB 3.98Å; F269-A317 HydrophobicContact CE1-CB 3.39Å; F269-A317 HydrophobicContact CZ-CB 4.02Å; L313-A317 HydrophobicContact CD2-CB 4.3Å; L313-A317 WeakPolarHBondContact O-CB 3.31Å; L313-A317 PolarHBondContact O-N 3.37Å; P314-A317 PolarHBondContact O-N 3.37Å; A317-G320 PolarHBondContact O-N 3.46Å; A317-H321 PolarHBondContact O-ND1 3.3Å |
| 318 | T | 87.4 | Confident | 86.1 | Confident | 6 Ų | 6 | 32.6 Ų | 32.6 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.8 | -53.7 | 176.4 | 44.6 | 0 | 0 | 0 | 0 | 111.9 | F269 P314 A315 I316 G320 H321 F379 | F269-T318 HydrophobicContact CB-CG2 3.3Å; F269-T318 HydrophobicContact CD1-CG2 4.22Å; F269-T318 HydrophobicContact CD2-CG2 3.64Å; F269-T318 HydrophobicContact CG-CG2 3.44Å; F269-T318 VanDerWaalsContact CG-CG2 3.44Å; P314-T318 WeakPolarHBondContact O-CB 3.2Å; P314-T318 VanDerWaalsContact O-CG2 3.24Å; P314-T318 WeakPolarHBondContact O-CG2 3.34Å; P314-T318 PolarHBondContact O-N 2.91Å; P314-T318 PolarHBondContact O-OG1 3.46Å; A315-T318 PolarHBondContact O-OG1 2.93Å; I316-T318 PolarHBondContact O-N 3.23Å; T318-G320 PolarHBondContact O-N 3.45Å; T318-H321 PolarHBondContact O-N 3.45Å; T318-F379 HydrophobicContact CG2-CB 4.36Å; T318-F379 HydrophobicContact CG2-CG 4.32Å |
| 319 | V | 87.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -54.3 | -39.8 | -179.7 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | V159 V160 H321 W322 A330 V331 A334 | V159-V319 HydrophobicContact CG1-CG2 4.15Å; V160-V319 HydrophobicContact CG2-CG1 3.69Å; V160-V319 HydrophobicContact CG2-CG2 4.14Å; V319-H321 PolarHBondContact O-N 3.49Å; V319-H321 VanDerWaalsContact O-N 3.12Å; V319-W322 PolarHBondContact O-N 3.05Å; V319-W322 VanDerWaalsContact O-N 3.16Å; V319-A330 HydrophobicContact CG1-CB 3.96Å; V319-V331 HydrophobicContact CG1-CG2 3.97Å; V319-A334 HydrophobicContact CG1-CB 4.38Å; V319-A334 HydrophobicContact CG2-CB 4.02Å |
| 320 | G | 79.6 | Confident | 85.4 | Confident | 9 Ų | 9 | 34 Ų | 34 | 9% | 0.093 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.5 | -6.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | I316 A317 T318 R327 | I316-G320 PolarHBondContact O-N 3.47Å; A317-G320 PolarHBondContact O-N 3.46Å; T318-G320 PolarHBondContact O-N 3.45Å; G320-R327 VanDerWaalsContact O-CZ 3.26Å; G320-R327 PolarHBondContact O-NE 3.09Å; G320-R327 PolarHBondContact O-NH2 3.19Å |
| 321 | H | 80.7 | Confident | 85.1 | Confident | 104 Ų | 104 | 33.7 Ų | 33.7 | 48% | 0.481 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -103.7 | -15.9 | 173.7 | -67.9 | 82.9 | 0 | 0 | 0 | 113.4 | F269 A317 T318 V319 | F269-H321 AromaticContact CZ-CE1 3.66Å; A317-H321 PolarHBondContact O-ND1 3.3Å; T318-H321 PolarHBondContact O-N 3.45Å; V319-H321 PolarHBondContact O-N 3.49Å; V319-H321 VanDerWaalsContact O-N 3.12Å |
| 322 | W | 83.5 | Confident | 84.7 | Confident | 13 Ų | 13 | 33.6 Ų | 33.6 | 5% | 0.049 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -90.5 | -9 | -175.4 | -82.9 | 84.7 | 0 | 0 | 0 | 114.7 | W155 G156 V159 V319 H385 | W155-W322 HydrophobicContact CB-CH2 3.7Å; W155-W322 HydrophobicContact CB-CZ3 3.72Å; W155-W322 AromaticContact CD1-CH2 3.56Å; W155-W322 AromaticContact CD1-CZ2 3.86Å; W155-W322 AromaticContact CG-CH2 3.98Å; W155-W322 HydrophobicContact CG-CH2 3.98Å; W155-W322 HydrophobicContact CG-CZ3 4.44Å; G156-W322 VanDerWaalsContact CA-CE3 3.42Å; G156-W322 VanDerWaalsContact N-CE3 3.34Å; V159-W322 HydrophobicContact CG2-CD2 4.37Å; V159-W322 HydrophobicContact CG2-CZ2 4.1Å; V319-W322 PolarHBondContact O-N 3.05Å; V319-W322 VanDerWaalsContact O-N 3.16Å; W322-H385 HydrophobicContact CH2-CB 3.49Å; W322-H385 VanDerWaalsContact CH2-CB 3.49Å; W322-H385 AromaticContact CH2-CD2 3.49Å; W322-H385 VanDerWaalsContact CH2-CD2 3.49Å; W322-H385 WeakPolarHBondContact CH2-CD2 3.42Å; W322-H385 AromaticContact CH2-CG 3.33Å; W322-H385 AromaticContact CH2-ND1 3.9Å; W322-H385 HydrophobicContact CZ2-CB 4.1Å; W322-H385 HydrophobicContact CZ3-CB 4.32Å; W322-H385 AromaticContact CZ3-CD2 3.44Å; W322-H385 VanDerWaalsContact CZ3-CD2 3.44Å; W322-H385 WeakPolarHBondContact CZ3-CD2 3.4Å; W322-H385 AromaticContact CZ3-CG 3.82Å; W322-H385 AromaticContact CZ3-NE2 3.89Å |
| 323 | F | 83.3 | Confident | 84.7 | Confident | 3 Ų | 3 | 35.6 Ų | 35.6 | 1% | 0.013 | 17% | 0.174 | C | C | . | . | trans | -137.7 | 137.2 | -175.3 | -65.2 | -91.8 | 0 | 0 | 0 | 111.3 | D152 W157 V160 K326 R327 A330 | D152-F323 HydrophobicContact CB-CD1 3.93Å; D152-F323 HydrophobicContact CB-CE1 4.48Å; D152-F323 WeakPolarHBondContact OD1-CA 3.39Å; W157-F323 HydrophobicContact CD2-CE1 4.17Å; W157-F323 AromaticContact CD2-CZ 3.78Å; W157-F323 HydrophobicContact CD2-CZ 3.78Å; W157-F323 AromaticContact CE2-CE1 3.67Å; W157-F323 AromaticContact CE2-CZ 3.79Å; W157-F323 HydrophobicContact CE3-CZ 4.11Å; W157-F323 HydrophobicContact CG-CZ 4.16Å; W157-F323 HydrophobicContact CH2-CE1 4.26Å; W157-F323 HydrophobicContact CH2-CZ 4.43Å; W157-F323 AromaticContact CZ2-CE1 3.73Å; W157-F323 HydrophobicContact CZ2-CE1 3.73Å; W157-F323 HydrophobicContact CZ2-CZ 4.14Å; W157-F323 HydrophobicContact CZ3-CZ 4.41Å; W157-F323 AromaticContact NE1-CE1 3.92Å; V160-F323 HydrophobicContact CG2-CE2 3.65Å; V160-F323 HydrophobicContact CG2-CZ 4.19Å; F323-K326 HydrophobicContact CD1-CB 4.49Å; F323-R327 HydrophobicContact CB-CB 4.45Å; F323-R327 WeakPolarHBondContact O-CB 3.45Å; F323-R327 WeakPolarHBondContact O-CG 3.39Å; F323-A330 HydrophobicContact CB-CB 4.1Å; F323-A330 HydrophobicContact CD1-CB 4.05Å; F323-A330 HydrophobicContact CD2-CB 3.37Å; F323-A330 HydrophobicContact CE1-CB 4.33Å; F323-A330 HydrophobicContact CE2-CB 3.7Å; F323-A330 HydrophobicContact CG-CB 3.57Å; F323-A330 HydrophobicContact CZ-CB 4.16Å | ||
| 324 | Q | 75.2 | Confident | 84.9 | Confident | 123 Ų | 123 | 35.2 Ų | 35.2 | 58% | 0.575 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -107.9 | -59.4 | 178.1 | -67.8 | -169.2 | 0.4 | 0 | 0 | 112.6 | D152 | D152-Q324 PolarHBondContact OD1-N 3.27Š|
| 325 | Q | 75.5 | Confident | 84.9 | Confident | 150 Ų | 150 | 35.6 Ų | 35.6 | 70% | 0.701 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -77.1 | -52.5 | -179.6 | -58.4 | 179.4 | -24.9 | 0 | 0 | 110.2 | D152 R327 | D152-Q325 WeakPolarHBondContact OD2-CA 3.47Å; D152-Q325 VanDerWaalsContact OD2-CB 3.31Å; D152-Q325 WeakPolarHBondContact OD2-CB 3.37Å; D152-Q325 PolarHBondContact OD2-N 3.5Å; Q325-R327 PolarHBondContact O-N 3.33Å; Q325-R327 VanDerWaalsContact O-N 3.11Å |
| 326 | K | 80.3 | Confident | 85 | Confident | 93 Ų | 93 | 35.8 Ų | 35.8 | 40% | 0.404 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -83 | 21.7 | -178.5 | -56.2 | -158.4 | 175.2 | -158.9 | 0 | 113.5 | D152 F323 L329 A330 | D152-K326 PolarHBondContact OD2-N 3.34Å; F323-K326 HydrophobicContact CD1-CB 4.49Å; K326-L329 PolarHBondContact O-N 3.25Å; K326-A330 WeakPolarHBondContact O-CB 3.35Å; K326-A330 PolarHBondContact O-N 3.07Å |
| 327 | R | 79.1 | Confident | 85.3 | Confident | 68 Ų | 68 | 34.9 Ų | 34.9 | 26% | 0.257 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -57.7 | -42.4 | -178.7 | -161.9 | -179.2 | -167.2 | -146.3 | 5.7 | 113.4 | G320 F323 Q325 V331 | G320-R327 VanDerWaalsContact O-CZ 3.26Å; G320-R327 PolarHBondContact O-NE 3.09Å; G320-R327 PolarHBondContact O-NH2 3.19Å; F323-R327 HydrophobicContact CB-CB 4.45Å; F323-R327 WeakPolarHBondContact O-CB 3.45Å; F323-R327 WeakPolarHBondContact O-CG 3.39Å; Q325-R327 PolarHBondContact O-N 3.33Å; Q325-R327 VanDerWaalsContact O-N 3.11Å; R327-V331 WeakPolarHBondContact O-CB 3.34Å; R327-V331 WeakPolarHBondContact O-CG2 3.33Å; R327-V331 PolarHBondContact O-N 2.85Å; R327-V331 VanDerWaalsContact O-N 3.08Å |
| 328 | P | 81 | Confident | 85.7 | Confident | 22 Ų | 22 | 33.9 Ų | 33.9 | 14% | 0.143 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.4 | -40.1 | 176.2 | -21.1 | 34.3 | 0 | 0 | 0 | 112.6 | G332 I1215 I1276 | P328-G332 WeakPolarHBondContact O-CA 3.28Å; P328-G332 PolarHBondContact O-N 3.3Å; P328-I1215 HydrophobicContact CB-CG2 4.35Å; P328-I1276 HydrophobicContact CB-CD1 4.31Å |
| 329 | L | 86.2 | Confident | 86 | Confident | 33 Ų | 33 | 33.6 Ų | 33.6 | 17% | 0.173 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.7 | -48 | 177.7 | -179.5 | 68.7 | 0 | 0 | 0 | 111.6 | W157 K326 G332 L333 E1216 | W157-L329 HydrophobicContact CH2-CD2 4.31Å; K326-L329 PolarHBondContact O-N 3.25Å; L329-G332 PolarHBondContact O-N 3.07Å; L329-L333 HydrophobicContact CD1-CD1 3.98Å; L329-L333 HydrophobicContact CD1-CG 4.26Å; L329-L333 HydrophobicContact CD2-CD1 4.47Å; L329-L333 HydrophobicContact CG-CD1 3.87Å; L329-L333 HydrophobicContact CG-CG 4.49Å; L329-L333 WeakPolarHBondContact O-CB 3.47Å; L329-L333 WeakPolarHBondContact O-CG 3.44Å; L329-L333 PolarHBondContact O-N 2.9Å; L329-E1216 WeakPolarHBondContact CB-OE2 3.47Å; L329-E1216 WeakPolarHBondContact CD2-OE2 3.3Å |
| 330 | A | 89 | Confident | 86.3 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.9 | -46.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V160 V319 F323 K326 G332 L333 A334 | V160-A330 HydrophobicContact CG2-CB 4.04Å; V319-A330 HydrophobicContact CG1-CB 3.96Å; F323-A330 HydrophobicContact CB-CB 4.1Å; F323-A330 HydrophobicContact CD1-CB 4.05Å; F323-A330 HydrophobicContact CD2-CB 3.37Å; F323-A330 HydrophobicContact CE1-CB 4.33Å; F323-A330 HydrophobicContact CE2-CB 3.7Å; F323-A330 HydrophobicContact CG-CB 3.57Å; F323-A330 HydrophobicContact CZ-CB 4.16Å; K326-A330 WeakPolarHBondContact O-CB 3.35Å; K326-A330 PolarHBondContact O-N 3.07Å; A330-G332 VanDerWaalsContact C-N 3.31Å; A330-L333 PolarHBondContact O-N 3.34Å; A330-A334 PolarHBondContact O-N 3.41Å; A330-A334 VanDerWaalsContact O-N 3.07Å |
| 331 | V | 86.9 | Confident | 87 | Confident | 18 Ų | 18 | 36 Ų | 36 | 11% | 0.109 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.8 | -38.6 | 174.3 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | V319 R327 A334 L335 | V319-V331 HydrophobicContact CG1-CG2 3.97Å; R327-V331 WeakPolarHBondContact O-CB 3.34Å; R327-V331 WeakPolarHBondContact O-CG2 3.33Å; R327-V331 PolarHBondContact O-N 2.85Å; R327-V331 VanDerWaalsContact O-N 3.08Å; V331-A334 PolarHBondContact O-N 3.11Å; V331-L335 HydrophobicContact CG1-CD1 3.87Å; V331-L335 HydrophobicContact CG1-CG 4.39Å; V331-L335 VanDerWaalsContact O-CB 3.29Å; V331-L335 WeakPolarHBondContact O-CB 3.44Å; V331-L335 VanDerWaalsContact O-CG 3.28Å; V331-L335 WeakPolarHBondContact O-CG 3.43Å; V331-L335 PolarHBondContact O-N 2.91Å |
| 332 | G | 88.7 | Confident | 87.7 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.2 | -53.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | P328 L329 A330 A334 L335 C336 T1212 | P328-G332 WeakPolarHBondContact O-CA 3.28Å; P328-G332 PolarHBondContact O-N 3.3Å; L329-G332 PolarHBondContact O-N 3.07Å; A330-G332 VanDerWaalsContact C-N 3.31Å; G332-A334 PolarHBondContact O-N 3.21Å; G332-L335 CarbonylContact O-C 3.6Å; G332-L335 WeakPolarHBondContact O-CA 3.32Å; G332-L335 WeakPolarHBondContact O-CB 3.46Å; G332-L335 PolarHBondContact O-N 3.35Å; G332-L335 VanDerWaalsContact O-N 3.12Å; G332-C336 PolarHBondContact O-N 3.28Å; G332-C336 PolarHBondContact O-SG 3.25Å; G332-T1212 VanDerWaalsContact CA-CG2 3.42Å |
| 333 | L | 92.1 | Very high | 88.3 | Confident | 54 Ų | 54 | 33.3 Ų | 33.3 | 28% | 0.283 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62.6 | -40 | 178.8 | -76.8 | 167 | 0 | 0 | 0 | 112.3 | W157 V160 F164 L329 A330 C336 L1209 | W157-L333 HydrophobicContact CH2-CD1 4.14Å; W157-L333 HydrophobicContact CZ3-CD1 3.73Å; V160-L333 HydrophobicContact CG1-CB 4.08Å; F164-L333 WeakPolarHBondContact CD2-O 3.49Å; L329-L333 HydrophobicContact CD1-CD1 3.98Å; L329-L333 HydrophobicContact CD1-CG 4.26Å; L329-L333 HydrophobicContact CD2-CD1 4.47Å; L329-L333 HydrophobicContact CG-CD1 3.87Å; L329-L333 HydrophobicContact CG-CG 4.49Å; L329-L333 WeakPolarHBondContact O-CB 3.47Å; L329-L333 WeakPolarHBondContact O-CG 3.44Å; L329-L333 PolarHBondContact O-N 2.9Å; A330-L333 PolarHBondContact O-N 3.34Å; L333-C336 WeakPolarHBondContact O-CB 3.46Å; L333-C336 PolarHBondContact O-N 2.63Å; L333-L1209 HydrophobicContact CD2-CD2 3.59Å |
| 334 | A | 92.7 | Very high | 88.9 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 2% | 0.017 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.1 | -45.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V160 V319 A330 V331 G332 C336 G337 | V160-A334 HydrophobicContact CG1-CB 4.4Å; V319-A334 HydrophobicContact CG1-CB 4.38Å; V319-A334 HydrophobicContact CG2-CB 4.02Å; A330-A334 PolarHBondContact O-N 3.41Å; A330-A334 VanDerWaalsContact O-N 3.07Å; V331-A334 PolarHBondContact O-N 3.11Å; G332-A334 PolarHBondContact O-N 3.21Å; A334-C336 VanDerWaalsContact C-N 3.3Å; A334-C336 PolarHBondContact O-N 2.89Å; A334-G337 PolarHBondContact O-N 3.26Å; A334-G337 VanDerWaalsContact O-N 3.15Å |
| 335 | L | 91 | Very high | 89.8 | Confident | 8 Ų | 8 | 31.7 Ų | 31.7 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68 | -20.5 | 177.3 | -77.1 | 175.4 | 0 | 0 | 0 | 114.1 | M167 I316 V331 G332 G337 S338 R1208 | M167-L335 HydrophobicContact SD-CD2 4.38Å; I316-L335 HydrophobicContact CD1-CD2 3.8Å; I316-L335 HydrophobicContact CG1-CD2 3.97Å; V331-L335 HydrophobicContact CG1-CD1 3.87Å; V331-L335 HydrophobicContact CG1-CG 4.39Å; V331-L335 VanDerWaalsContact O-CB 3.29Å; V331-L335 WeakPolarHBondContact O-CB 3.44Å; V331-L335 VanDerWaalsContact O-CG 3.28Å; V331-L335 WeakPolarHBondContact O-CG 3.43Å; V331-L335 PolarHBondContact O-N 2.91Å; G332-L335 CarbonylContact O-C 3.6Å; G332-L335 WeakPolarHBondContact O-CA 3.32Å; G332-L335 WeakPolarHBondContact O-CB 3.46Å; G332-L335 PolarHBondContact O-N 3.35Å; G332-L335 VanDerWaalsContact O-N 3.12Å; L335-G337 PolarHBondContact O-N 3.34Å; L335-G337 VanDerWaalsContact O-N 3.14Å; L335-S338 PolarHBondContact O-N 3.1Å; L335-S338 PolarHBondContact O-OG 3.21Å; L335-R1208 VanDerWaalsContact O-CD 3.31Å; L335-R1208 WeakPolarHBondContact O-CD 3.39Å; L335-R1208 PolarHBondContact O-NH1 3.04Å |
| 336 | C | 93.7 | Very high | 90.7 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 3% | 0.027 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -18.9 | 170.5 | -70.6 | 0 | 0 | 0 | 0 | 112.7 | F164 G332 L333 A334 S338 G339 M340 T1205 R1208 | F164-C336 HydrophobicContact CD2-CB 4.44Å; F164-C336 HydrophobicContact CE2-CB 4.2Å; G332-C336 PolarHBondContact O-N 3.28Å; G332-C336 PolarHBondContact O-SG 3.25Å; L333-C336 WeakPolarHBondContact O-CB 3.46Å; L333-C336 PolarHBondContact O-N 2.63Å; A334-C336 VanDerWaalsContact C-N 3.3Å; A334-C336 PolarHBondContact O-N 2.89Å; C336-S338 PolarHBondContact O-N 2.7Å; C336-G339 PolarHBondContact O-N 2.57Å; C336-M340 PolarHBondContact O-N 3.23Å; C336-T1205 HydrophobicContact CB-CG2 4.41Å; C336-R1208 VanDerWaalsContact SG-CB 3.56Å |
| 337 | G | 92.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -55.3 | -36.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | F164 V168 A334 L335 G339 M340 G341 | F164-G337 VanDerWaalsContact CD2-N 3.27Å; F164-G337 VanDerWaalsContact CE2-CA 3.48Å; V168-G337 VanDerWaalsContact CA-O 3.24Å; V168-G337 WeakPolarHBondContact CA-O 2.88Å; V168-G337 VanDerWaalsContact CG2-O 3.26Å; V168-G337 WeakPolarHBondContact CG2-O 3.34Å; V168-G337 PolarHBondContact N-O 3.41Å; A334-G337 PolarHBondContact O-N 3.26Å; A334-G337 VanDerWaalsContact O-N 3.15Å; L335-G337 PolarHBondContact O-N 3.34Å; L335-G337 VanDerWaalsContact O-N 3.14Å; G337-G339 PolarHBondContact O-N 3.4Å; G337-M340 CarbonylContact O-C 2.68Å; G337-M340 PolarHBondContact O-N 3.19Å; G337-G341 PolarHBondContact O-N 2.82Å |
| 338 | S | 93.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.007 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.8 | -38.6 | -180 | 72.8 | 0 | 0 | 0 | 0 | 113.2 | D171 L335 C336 G341 C342 R1208 | D171-S338 VanDerWaalsContact CB-CB 3.41Å; D171-S338 WeakPolarHBondContact OD2-CB 3.31Å; L335-S338 PolarHBondContact O-N 3.1Å; L335-S338 PolarHBondContact O-OG 3.21Å; C336-S338 PolarHBondContact O-N 2.7Å; S338-G341 PolarHBondContact O-N 3.5Å; S338-C342 PolarHBondContact O-N 3.08Å; S338-C342 PolarHBondContact O-SG 3.08Å; S338-R1208 PolarHBondContact OG-NH1 3.16Å; S338-R1208 PolarHBondContact OG-NH2 2.93Å |
| 339 | G | 92.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.3 | -42.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | C336 G337 G341 C342 L343 G1201 T1205 | C336-G339 PolarHBondContact O-N 2.57Å; G337-G339 PolarHBondContact O-N 3.4Å; G339-G341 VanDerWaalsContact C-N 3.3Å; G339-G341 PolarHBondContact O-N 3.44Å; G339-C342 PolarHBondContact O-N 2.8Å; G339-L343 WeakPolarHBondContact O-CB 3.04Å; G339-L343 PolarHBondContact O-N 3.49Å; G339-G1201 CarbonylContact C-O 3.28Å; G339-G1201 WeakPolarHBondContact CA-O 3.48Å; G339-G1201 CarbonylContact O-C 3.55Å; G339-G1201 VanDerWaalsContact O-C 3.29Å; G339-G1201 WeakPolarHBondContact O-CA 3.45Å; G339-T1205 WeakPolarHBondContact CA-OG1 3.27Å |
| 340 | M | 95.6 | Very high | 93.1 | Very high | 56 Ų | 56 | 18.9 Ų | 18.9 | 28% | 0.276 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -64.8 | -33.4 | 171.8 | -172 | 61.4 | 63.8 | 0 | 0 | 112.2 | F164 V168 C336 G337 L343 I344 T1205 | F164-M340 HydrophobicContact CE2-CB 4.34Å; F164-M340 HydrophobicContact CZ-CB 3.97Å; F164-M340 HydrophobicContact CZ-CG 3.98Å; V168-M340 HydrophobicContact CG2-CB 4.04Å; V168-M340 HydrophobicContact CG2-CG 4.13Å; C336-M340 PolarHBondContact O-N 3.23Å; G337-M340 CarbonylContact O-C 2.68Å; G337-M340 PolarHBondContact O-N 3.19Å; M340-L343 PolarHBondContact O-N 2.92Å; M340-L343 HydrophobicContact SD-CB 4.48Å; M340-L343 HydrophobicContact SD-CD1 4.36Å; M340-L343 HydrophobicContact SD-CD2 4.42Å; M340-I344 HydrophobicContact CG-CD1 3.78Å; M340-I344 HydrophobicContact CG-CG1 4.31Å; M340-I344 WeakPolarHBondContact O-CB 3.47Å; M340-I344 WeakPolarHBondContact O-CG1 3.44Å; M340-I344 PolarHBondContact O-N 3.43Å; M340-I344 HydrophobicContact SD-CD1 4.09Å; M340-I344 HydrophobicContact SD-CG1 4.16Å; M340-T1205 PolarHBondContact N-OG1 2.79Å |
| 341 | G | 94.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 25 Ų | 25 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.6 | -47.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V168 G337 S338 G339 L343 G345 | V168-G341 WeakPolarHBondContact O-CA 3.17Å; G337-G341 PolarHBondContact O-N 2.82Å; S338-G341 PolarHBondContact O-N 3.5Å; G339-G341 VanDerWaalsContact C-N 3.3Å; G339-G341 PolarHBondContact O-N 3.44Å; G341-L343 VanDerWaalsContact C-N 3.34Å; G341-L343 PolarHBondContact O-N 3.07Å; G341-G345 WeakPolarHBondContact O-CA 3.4Å; G341-G345 PolarHBondContact O-N 3.28Å |
| 342 | C | 95 | Very high | 93.6 | Very high | 4 Ų | 4 | 25.9 Ų | 25.9 | 3% | 0.027 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.5 | -37.7 | 172.2 | -66 | 0 | 0 | 0 | 0 | 112.5 | F175 S338 G339 G346 | F175-C342 VanDerWaalsContact CB-SG 3.58Å; S338-C342 PolarHBondContact O-N 3.08Å; S338-C342 PolarHBondContact O-SG 3.08Å; G339-C342 PolarHBondContact O-N 2.8Å; C342-G346 PolarHBondContact O-N 3.26Å |
| 343 | L | 95.7 | Very high | 93.7 | Very high | 57 Ų | 57 | 26.1 Ų | 26.1 | 30% | 0.298 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -64.3 | -52.3 | 177.7 | -167.7 | 163.1 | 0 | 0 | 0 | 111.6 | G339 M340 G341 Q347 S1198 A1202 | G339-L343 WeakPolarHBondContact O-CB 3.04Å; G339-L343 PolarHBondContact O-N 3.49Å; M340-L343 PolarHBondContact O-N 2.92Å; M340-L343 HydrophobicContact SD-CB 4.48Å; M340-L343 HydrophobicContact SD-CD1 4.36Å; M340-L343 HydrophobicContact SD-CD2 4.42Å; G341-L343 VanDerWaalsContact C-N 3.34Å; G341-L343 PolarHBondContact O-N 3.07Å; L343-Q347 PolarHBondContact O-N 3.29Å; L343-S1198 PolarHBondContact O-OG 3.42Å; L343-A1202 HydrophobicContact CD1-CB 4.05Å |
| 344 | I | 96.5 | Very high | 93.6 | Very high | 84 Ų | 84 | 27.5 Ų | 27.5 | 43% | 0.431 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -67.8 | -50.2 | 179.4 | -66.4 | 169.9 | 0 | 0 | 0 | 110.2 | V168 M340 G346 Q347 A348 | V168-I344 HydrophobicContact CG1-CD1 4.16Å; M340-I344 HydrophobicContact CG-CD1 3.78Å; M340-I344 HydrophobicContact CG-CG1 4.31Å; M340-I344 WeakPolarHBondContact O-CB 3.47Å; M340-I344 WeakPolarHBondContact O-CG1 3.44Å; M340-I344 PolarHBondContact O-N 3.43Å; M340-I344 HydrophobicContact SD-CD1 4.09Å; M340-I344 HydrophobicContact SD-CG1 4.16Å; I344-G346 PolarHBondContact O-N 2.88Å; I344-Q347 CarbonylContact O-C 3.44Å; I344-Q347 PolarHBondContact O-N 3.37Å; I344-Q347 VanDerWaalsContact O-N 3.08Å; I344-A348 VanDerWaalsContact O-CB 3.29Å; I344-A348 WeakPolarHBondContact O-CB 3.32Å; I344-A348 PolarHBondContact O-N 3.44Å |
| 345 | G | 93.8 | Very high | 93.5 | Very high | 9 Ų | 9 | 33.7 Ų | 33.7 | 9% | 0.093 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.9 | -39.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G341 Q347 A348 I349 | G341-G345 WeakPolarHBondContact O-CA 3.4Å; G341-G345 PolarHBondContact O-N 3.28Å; G345-Q347 PolarHBondContact O-N 2.68Å; G345-A348 PolarHBondContact O-N 2.98Å; G345-I349 WeakPolarHBondContact O-CB 3.48Å; G345-I349 VanDerWaalsContact O-CG1 3.32Å; G345-I349 WeakPolarHBondContact O-CG1 3.38Å; G345-I349 PolarHBondContact O-N 3.11Å |
| 346 | G | 93.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61 | -28.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | C342 I344 P350 G1194 S1198 | C342-G346 PolarHBondContact O-N 3.26Å; I344-G346 PolarHBondContact O-N 2.88Å; G346-P350 VanDerWaalsContact O-CD 3.26Å; G346-P350 WeakPolarHBondContact O-CD 3.47Å; G346-P350 WeakPolarHBondContact O-CG 3.29Å; G346-G1194 CarbonylContact C-O 3.27Å; G346-G1194 WeakPolarHBondContact CA-O 3.01Å; G346-G1194 CarbonylContact O-C 3.55Å; G346-G1194 VanDerWaalsContact O-C 3.24Å; G346-G1194 WeakPolarHBondContact O-CA 3.37Å; G346-S1198 VanDerWaalsContact C-OG 3.27Å; G346-S1198 WeakPolarHBondContact CA-OG 3.39Å |
| 347 | Q | 94.5 | Very high | 93.3 | Very high | 54 Ų | 54 | 41.5 Ų | 41.5 | 25% | 0.252 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -90.7 | -27.5 | 174 | -70 | -52.2 | -65.1 | 0 | 0 | 114.4 | L343 I344 G345 R351 S1198 | L343-Q347 PolarHBondContact O-N 3.29Å; I344-Q347 CarbonylContact O-C 3.44Å; I344-Q347 PolarHBondContact O-N 3.37Å; I344-Q347 VanDerWaalsContact O-N 3.08Å; G345-Q347 PolarHBondContact O-N 2.68Å; Q347-R351 PolarHBondContact O-NH1 3.28Å; Q347-S1198 PolarHBondContact N-OG 2.92Å; Q347-S1198 PolarHBondContact NE2-OG 3.02Å |
| 348 | A | 95 | Very high | 93.2 | Very high | 34 Ų | 34 | 41.6 Ų | 41.6 | 28% | 0.281 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -87.3 | -50.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112 | I344 G345 R351 L352 | I344-A348 VanDerWaalsContact O-CB 3.29Å; I344-A348 WeakPolarHBondContact O-CB 3.32Å; I344-A348 PolarHBondContact O-N 3.44Å; G345-A348 PolarHBondContact O-N 2.98Å; A348-R351 PolarHBondContact O-N 3.45Å; A348-R351 VanDerWaalsContact O-N 3.17Å; A348-L352 HydrophobicContact CB-CD1 4.19Å; A348-L352 WeakPolarHBondContact O-CB 3.45Å; A348-L352 VanDerWaalsContact O-CG 3.31Å; A348-L352 WeakPolarHBondContact O-CG 3.43Å; A348-L352 PolarHBondContact O-N 2.9Å |
| 349 | I | 94.5 | Very high | 93.3 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.3 | -46.2 | -172.6 | -60.7 | -61.8 | 0 | 0 | 0 | 112.7 | L179 L180 G345 R351 L352 V353 T361 L365 | L179-I349 HydrophobicContact CB-CB 4.36Å; L179-I349 HydrophobicContact CB-CG2 3.7Å; L179-I349 HydrophobicContact CD1-CB 4.38Å; L180-I349 HydrophobicContact CD2-CG2 3.76Å; L180-I349 HydrophobicContact CG-CG2 4.17Å; G345-I349 WeakPolarHBondContact O-CB 3.48Å; G345-I349 VanDerWaalsContact O-CG1 3.32Å; G345-I349 WeakPolarHBondContact O-CG1 3.38Å; G345-I349 PolarHBondContact O-N 3.11Å; I349-R351 VanDerWaalsContact C-N 3.26Å; I349-R351 PolarHBondContact O-N 3.39Å; I349-L352 HydrophobicContact CD1-CD1 4.41Å; I349-L352 PolarHBondContact O-N 2.86Å; I349-V353 HydrophobicContact CG2-CG2 4.03Å; I349-V353 WeakPolarHBondContact O-CB 3.4Å; I349-V353 VanDerWaalsContact O-CG2 3.29Å; I349-V353 WeakPolarHBondContact O-CG2 3.24Å; I349-V353 PolarHBondContact O-N 3.44Å; I349-T361 HydrophobicContact CD1-CG2 3.78Å; I349-L365 HydrophobicContact CD1-CD1 3.94Å; I349-L365 HydrophobicContact CD1-CD2 4.16Å; I349-L365 HydrophobicContact CD1-CG 4.35Å |
| 350 | P | 92.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.032 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.8 | -35.2 | 178.8 | -24.4 | 35.2 | 0 | 0 | 0 | 113.5 | L179 G346 S354 L1190 | L179-P350 HydrophobicContact CD1-CG 4.06Å; L179-P350 HydrophobicContact CD2-CG 4.38Å; G346-P350 VanDerWaalsContact O-CD 3.26Å; G346-P350 WeakPolarHBondContact O-CD 3.47Å; G346-P350 WeakPolarHBondContact O-CG 3.29Å; P350-S354 WeakPolarHBondContact O-CB 3.25Å; P350-S354 PolarHBondContact O-N 3.32Å; P350-S354 PolarHBondContact O-OG 2.98Å; P350-S354 VanDerWaalsContact O-OG 3.13Å; P350-L1190 HydrophobicContact CB-CD2 4.04Å; P350-L1190 HydrophobicContact CB-CG 4.01Å; P350-L1190 HydrophobicContact CG-CG 4.49Å |
| 351 | R | 93.1 | Very high | 93.3 | Very high | 129 Ų | 129 | 43 Ų | 43 | 49% | 0.487 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -78 | -33.5 | 178.8 | -63.4 | -176.2 | 179.9 | 115.6 | 0.7 | 112.3 | Q347 A348 I349 S354 L355 | Q347-R351 PolarHBondContact O-NH1 3.28Å; A348-R351 PolarHBondContact O-N 3.45Å; A348-R351 VanDerWaalsContact O-N 3.17Å; I349-R351 VanDerWaalsContact C-N 3.26Å; I349-R351 PolarHBondContact O-N 3.39Å; R351-S354 PolarHBondContact O-OG 3.3Å; R351-L355 WeakPolarHBondContact O-CB 3.24Å; R351-L355 WeakPolarHBondContact O-CD1 3.4Å; R351-L355 WeakPolarHBondContact O-CG 3.21Å; R351-L355 PolarHBondContact O-N 3.23Å |
| 352 | L | 93.2 | Very high | 93.3 | Very high | 36 Ų | 36 | 43 Ų | 43 | 19% | 0.188 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.4 | -43 | 173.3 | -70.5 | 166.2 | 0 | 0 | 0 | 110.8 | A348 I349 L355 F356 T361 I364 | A348-L352 HydrophobicContact CB-CD1 4.19Å; A348-L352 WeakPolarHBondContact O-CB 3.45Å; A348-L352 VanDerWaalsContact O-CG 3.31Å; A348-L352 WeakPolarHBondContact O-CG 3.43Å; A348-L352 PolarHBondContact O-N 2.9Å; I349-L352 HydrophobicContact CD1-CD1 4.41Å; I349-L352 PolarHBondContact O-N 2.86Å; L352-L355 PolarHBondContact O-N 3.34Å; L352-F356 HydrophobicContact CD2-CD2 4.26Å; L352-F356 WeakPolarHBondContact O-CA 3.42Å; L352-F356 WeakPolarHBondContact O-CB 3.33Å; L352-F356 PolarHBondContact O-N 3.01Å; L352-T361 HydrophobicContact CB-CG2 3.77Å; L352-T361 WeakPolarHBondContact CB-OG1 3.4Å; L352-T361 HydrophobicContact CD1-CG2 4.26Å; L352-T361 PolarHBondContact O-OG1 2.9Å; L352-I364 HydrophobicContact CD2-CD1 3.76Å; L352-I364 HydrophobicContact CD2-CG2 4.18Å |
| 353 | V | 92.3 | Very high | 93.4 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -45.5 | 176.4 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | L180 N182 I349 L355 T357 T361 L1190 | L180-V353 HydrophobicContact CD2-CG2 4.03Å; N182-V353 HydrophobicContact CB-CG1 4.2Å; I349-V353 HydrophobicContact CG2-CG2 4.03Å; I349-V353 WeakPolarHBondContact O-CB 3.4Å; I349-V353 VanDerWaalsContact O-CG2 3.29Å; I349-V353 WeakPolarHBondContact O-CG2 3.24Å; I349-V353 PolarHBondContact O-N 3.44Å; V353-L355 VanDerWaalsContact C-N 3.3Å; V353-L355 PolarHBondContact O-N 2.87Å; V353-T357 WeakPolarHBondContact O-CA 3.36Å; V353-T357 PolarHBondContact O-N 2.68Å; V353-T361 WeakPolarHBondContact CA-OG1 3.2Å; V353-T361 HydrophobicContact CG2-CG2 4.35Å; V353-T361 PolarHBondContact N-OG1 3.18Å; V353-L1190 HydrophobicContact CB-CD2 4.36Å; V353-L1190 HydrophobicContact CG1-CD2 4.18Å |
| 354 | S | 88.6 | Confident | 93.4 | Very high | 84 Ų | 84 | 46.2 Ų | 46.2 | 59% | 0.587 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -70.4 | -20.2 | -179.9 | 67.2 | 0 | 0 | 0 | 0 | 114.9 | P350 R351 | P350-S354 WeakPolarHBondContact O-CB 3.25Å; P350-S354 PolarHBondContact O-N 3.32Å; P350-S354 PolarHBondContact O-OG 2.98Å; P350-S354 VanDerWaalsContact O-OG 3.13Å; R351-S354 PolarHBondContact O-OG 3.3Å |
| 355 | L | 91.3 | Very high | 93.3 | Very high | 131 Ų | 131 | 43.1 Ų | 43.1 | 69% | 0.686 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -99.3 | -31.4 | 177.8 | -68.1 | 173.9 | 0 | 0 | 0 | 114.1 | R351 L352 V353 | R351-L355 WeakPolarHBondContact O-CB 3.24Å; R351-L355 WeakPolarHBondContact O-CD1 3.4Å; R351-L355 WeakPolarHBondContact O-CG 3.21Å; R351-L355 PolarHBondContact O-N 3.23Å; L352-L355 PolarHBondContact O-N 3.34Å; V353-L355 VanDerWaalsContact C-N 3.3Å; V353-L355 PolarHBondContact O-N 2.87Å |
| 356 | F | 89.2 | Confident | 93.5 | Very high | 112 Ų | 112 | 42.9 Ų | 42.9 | 49% | 0.491 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -131.6 | 7.3 | -169.4 | -60.3 | -72.3 | 0 | 0 | 0 | 114.4 | L352 G360 I364 | L352-F356 HydrophobicContact CD2-CD2 4.26Å; L352-F356 WeakPolarHBondContact O-CA 3.42Å; L352-F356 WeakPolarHBondContact O-CB 3.33Å; L352-F356 PolarHBondContact O-N 3.01Å; F356-G360 VanDerWaalsContact O-CA 3.29Å; F356-G360 WeakPolarHBondContact O-CA 3.34Å; F356-G360 PolarHBondContact O-N 2.92Å; F356-G360 VanDerWaalsContact O-N 3.16Å; F356-I364 HydrophobicContact CD2-CD1 3.78Å; F356-I364 HydrophobicContact CE2-CD1 4.09Å; F356-I364 HydrophobicContact CG-CD1 4.19Å |
| 357 | T | 90.6 | Very high | 93.5 | Very high | 65 Ų | 65 | 45.6 Ų | 45.6 | 40% | 0.399 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | 60.6 | 173.7 | -168.6 | 74.8 | 0 | 0 | 0 | 0 | 113.4 | V353 R359 G360 T361 | V353-T357 WeakPolarHBondContact O-CA 3.36Å; V353-T357 PolarHBondContact O-N 2.68Å; T357-R359 VanDerWaalsContact C-N 3.27Å; T357-R359 PolarHBondContact O-N 3.23Å; T357-R359 PolarHBondContact OG1-N 3.28Å; T357-G360 PolarHBondContact O-N 3.48Å; T357-T361 WeakPolarHBondContact O-CB 3.49Å; T357-T361 PolarHBondContact O-N 3.37Å; T357-T361 VanDerWaalsContact O-N 3.08Å; T357-T361 PolarHBondContact O-OG1 3.38Å |
| 358 | W | 92 | Very high | 93.6 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.4 | -36.4 | 173.1 | 68.7 | -91.6 | 0 | 0 | 0 | 112.5 | L230 D233 F234 F296 T361 L362 | L230-W358 HydrophobicContact CD1-CD2 3.38Å; L230-W358 HydrophobicContact CD1-CE3 3.51Å; L230-W358 HydrophobicContact CD1-CG 3.93Å; L230-W358 HydrophobicContact CD1-CH2 3.9Å; L230-W358 HydrophobicContact CD1-CZ2 3.78Å; L230-W358 HydrophobicContact CD1-CZ3 3.78Å; D233-W358 HydrophobicContact CB-CZ2 4.04Å; D233-W358 WeakPolarHBondContact OD2-CZ2 3.4Å; D233-W358 PolarHBondContact OD2-NE1 3.26Å; F234-W358 HydrophobicContact CE1-CH2 4.37Å; F234-W358 HydrophobicContact CE2-CH2 4.12Å; F234-W358 HydrophobicContact CE2-CZ2 4.48Å; F234-W358 AromaticContact CZ-CH2 3.66Å; F234-W358 HydrophobicContact CZ-CH2 3.66Å; F234-W358 HydrophobicContact CZ-CZ2 4.26Å; F234-W358 HydrophobicContact CZ-CZ3 4.41Å; F296-W358 HydrophobicContact CD2-CZ3 4.45Å; F296-W358 AromaticContact CE2-CZ3 3.95Å; F296-W358 HydrophobicContact CE2-CZ3 3.95Å; W358-T361 WeakPolarHBondContact O-CB 3.12Å; W358-T361 PolarHBondContact O-N 3.46Å; W358-L362 HydrophobicContact CE3-CD1 3.71Å; W358-L362 HydrophobicContact CZ3-CD1 3.8Å; W358-L362 WeakPolarHBondContact O-CG 3.31Å; W358-L362 PolarHBondContact O-N 3.21Å |
| 359 | R | 94 | Very high | 93.5 | Very high | 70 Ų | 70 | 44.4 Ų | 44.4 | 26% | 0.264 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.9 | -49.7 | 178.8 | -70.5 | -169.9 | 172.9 | 99.4 | 1.9 | 112.2 | D233 A288 T357 T361 L362 I363 | D233-R359 IonicContact OD1-CZ 2.68Å; D233-R359 IonicContact OD1-NH1 3.57Å; D233-R359 PolarHBondContact OD1-NH1 3.2Å; D233-R359 IonicContact OD1-NH2 2.89Å; D233-R359 PolarHBondContact OD1-NH2 3.35Å; D233-R359 IonicContact OD2-CZ 2.65Å; D233-R359 IonicContact OD2-NH1 3.52Å; D233-R359 PolarHBondContact OD2-NH1 3.27Å; D233-R359 IonicContact OD2-NH2 2.81Å; A288-R359 VanDerWaalsContact O-CD 3.27Å; A288-R359 WeakPolarHBondContact O-CD 3.38Å; A288-R359 WeakPolarHBondContact O-CG 3.35Å; T357-R359 VanDerWaalsContact C-N 3.27Å; T357-R359 PolarHBondContact O-N 3.23Å; T357-R359 PolarHBondContact OG1-N 3.28Å; R359-T361 VanDerWaalsContact C-N 3.29Å; R359-T361 PolarHBondContact O-N 3.49Å; R359-L362 PolarHBondContact O-N 2.81Å; R359-I363 PolarHBondContact O-N 3.37Å |
| 360 | G | 93.5 | Very high | 93.5 | Very high | 17 Ų | 17 | 49.4 Ų | 49.4 | 18% | 0.175 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.2 | -34.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F356 T357 L362 I363 I364 | F356-G360 VanDerWaalsContact O-CA 3.29Å; F356-G360 WeakPolarHBondContact O-CA 3.34Å; F356-G360 PolarHBondContact O-N 2.92Å; F356-G360 VanDerWaalsContact O-N 3.16Å; T357-G360 PolarHBondContact O-N 3.48Å; G360-L362 PolarHBondContact O-N 3.45Å; G360-I363 PolarHBondContact O-N 3.34Å; G360-I364 WeakPolarHBondContact O-CG1 3.47Å; G360-I364 PolarHBondContact O-N 2.9Å |
| 361 | T | 95.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 172.7 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | L180 I349 L352 V353 T357 W358 R359 I363 I364 L365 | L180-T361 HydrophobicContact CD2-CG2 3.64Å; I349-T361 HydrophobicContact CD1-CG2 3.78Å; L352-T361 HydrophobicContact CB-CG2 3.77Å; L352-T361 WeakPolarHBondContact CB-OG1 3.4Å; L352-T361 HydrophobicContact CD1-CG2 4.26Å; L352-T361 PolarHBondContact O-OG1 2.9Å; V353-T361 WeakPolarHBondContact CA-OG1 3.2Å; V353-T361 HydrophobicContact CG2-CG2 4.35Å; V353-T361 PolarHBondContact N-OG1 3.18Å; T357-T361 WeakPolarHBondContact O-CB 3.49Å; T357-T361 PolarHBondContact O-N 3.37Å; T357-T361 VanDerWaalsContact O-N 3.08Å; T357-T361 PolarHBondContact O-OG1 3.38Å; W358-T361 WeakPolarHBondContact O-CB 3.12Å; W358-T361 PolarHBondContact O-N 3.46Å; R359-T361 VanDerWaalsContact C-N 3.29Å; R359-T361 PolarHBondContact O-N 3.49Å; T361-I363 PolarHBondContact O-N 3.27Å; T361-I364 PolarHBondContact O-N 3.1Å; T361-L365 HydrophobicContact CG2-CD1 4.27Å; T361-L365 WeakPolarHBondContact O-CG 3.36Å; T361-L365 PolarHBondContact O-N 3.23Å |
| 362 | L | 95.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.3 | -37.4 | 176.3 | -71.6 | 173.6 | 0 | 0 | 0 | 113.2 | L180 L284 A288 F296 F300 W358 R359 G360 L365 A366 | L180-L362 HydrophobicContact CD1-CD2 4.12Å; L284-L362 HydrophobicContact CD2-CD2 4.27Å; A288-L362 HydrophobicContact CB-CB 3.92Å; F296-L362 HydrophobicContact CE2-CD1 3.82Å; F296-L362 HydrophobicContact CZ-CD1 4.33Å; F300-L362 HydrophobicContact CD2-CD2 3.9Å; F300-L362 HydrophobicContact CE2-CD2 3.6Å; W358-L362 HydrophobicContact CE3-CD1 3.71Å; W358-L362 HydrophobicContact CZ3-CD1 3.8Å; W358-L362 WeakPolarHBondContact O-CG 3.31Å; W358-L362 PolarHBondContact O-N 3.21Å; R359-L362 PolarHBondContact O-N 2.81Å; G360-L362 PolarHBondContact O-N 3.45Å; L362-L365 PolarHBondContact O-N 3.27Å; L362-A366 WeakPolarHBondContact O-CB 3.45Å; L362-A366 PolarHBondContact O-N 2.85Å |
| 363 | I | 96.6 | Very high | 93.5 | Very high | 69 Ų | 69 | 48.6 Ų | 48.6 | 35% | 0.354 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 175.5 | -61.5 | 173.4 | 0 | 0 | 0 | 110.6 | L285 A288 F289 R359 G360 T361 A366 A367 | L285-I363 HydrophobicContact CD1-CG1 4.35Å; L285-I363 HydrophobicContact CD1-CG2 4.3Å; A288-I363 HydrophobicContact CB-CD1 4.18Å; A288-I363 HydrophobicContact CB-CG1 3.55Å; F289-I363 HydrophobicContact CE1-CD1 4.47Å; F289-I363 HydrophobicContact CZ-CD1 4.08Å; R359-I363 PolarHBondContact O-N 3.37Å; G360-I363 PolarHBondContact O-N 3.34Å; T361-I363 PolarHBondContact O-N 3.27Å; I363-A366 PolarHBondContact O-N 2.84Å; I363-A367 PolarHBondContact O-N 2.59Å |
| 364 | I | 96.2 | Very high | 93.5 | Very high | 59 Ų | 59 | 52.4 Ų | 52.4 | 30% | 0.303 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 177 | -67.5 | 167.6 | 0 | 0 | 0 | 110.5 | L352 F356 G360 T361 A367 V368 | L352-I364 HydrophobicContact CD2-CD1 3.76Å; L352-I364 HydrophobicContact CD2-CG2 4.18Å; F356-I364 HydrophobicContact CD2-CD1 3.78Å; F356-I364 HydrophobicContact CE2-CD1 4.09Å; F356-I364 HydrophobicContact CG-CD1 4.19Å; G360-I364 WeakPolarHBondContact O-CG1 3.47Å; G360-I364 PolarHBondContact O-N 2.9Å; T361-I364 PolarHBondContact O-N 3.1Å; I364-A367 PolarHBondContact O-N 3.4Å; I364-V368 WeakPolarHBondContact O-CG2 3.48Å; I364-V368 PolarHBondContact O-N 3.38Å |
| 365 | L | 94.8 | Very high | 93.6 | Very high | 19 Ų | 19 | 50.6 Ų | 50.6 | 10% | 0.099 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 173.6 | -73.2 | 174.7 | 0 | 0 | 0 | 112.3 | I173 L284 I349 T361 L362 A367 V368 C369 | I173-L365 HydrophobicContact CD1-CD2 4.22Å; I173-L365 HydrophobicContact CG1-CD1 4.39Å; I173-L365 HydrophobicContact CG1-CD2 3.98Å; L284-L365 HydrophobicContact CD1-CB 4.34Å; I349-L365 HydrophobicContact CD1-CD1 3.94Å; I349-L365 HydrophobicContact CD1-CD2 4.16Å; I349-L365 HydrophobicContact CD1-CG 4.35Å; T361-L365 HydrophobicContact CG2-CD1 4.27Å; T361-L365 WeakPolarHBondContact O-CG 3.36Å; T361-L365 PolarHBondContact O-N 3.23Å; L362-L365 PolarHBondContact O-N 3.27Å; L365-A367 VanDerWaalsContact C-N 3.33Å; L365-A367 PolarHBondContact O-N 2.92Å; L365-V368 PolarHBondContact O-N 3.3Å; L365-C369 PolarHBondContact O-N 3.16Å; L365-C369 PolarHBondContact O-SG 3.01Å |
| 366 | A | 96.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 3% | 0.033 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.4 | -43.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L284 L285 L362 I363 V368 C369 F370 | L284-A366 HydrophobicContact CB-CB 3.76Å; L285-A366 HydrophobicContact CB-CB 3.98Å; L362-A366 WeakPolarHBondContact O-CB 3.45Å; L362-A366 PolarHBondContact O-N 2.85Å; I363-A366 PolarHBondContact O-N 2.84Å; A366-V368 VanDerWaalsContact C-N 3.31Å; A366-V368 PolarHBondContact O-N 3.16Å; A366-C369 PolarHBondContact O-N 3.19Å; A366-F370 PolarHBondContact O-N 3.19Å |
| 367 | A | 95.7 | Very high | 93.8 | Very high | 59 Ų | 59 | 43.3 Ų | 43.3 | 49% | 0.488 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.9 | -33.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | I363 I364 L365 | I363-A367 PolarHBondContact O-N 2.59Å; I364-A367 PolarHBondContact O-N 3.4Å; L365-A367 VanDerWaalsContact C-N 3.33Å; L365-A367 PolarHBondContact O-N 2.92Å |
| 368 | V | 95 | Very high | 93.8 | Very high | 59 Ų | 59 | 42 Ų | 42 | 36% | 0.358 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -73.1 | -43.2 | 173.8 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | L169 I364 L365 A366 F370 Q371 | L169-V368 HydrophobicContact CD1-CG1 3.88Å; L169-V368 HydrophobicContact CD2-CG1 3.49Å; L169-V368 VanDerWaalsContact CD2-CG1 3.49Å; L169-V368 HydrophobicContact CG-CG1 4.35Å; I364-V368 WeakPolarHBondContact O-CG2 3.48Å; I364-V368 PolarHBondContact O-N 3.38Å; L365-V368 PolarHBondContact O-N 3.3Å; A366-V368 VanDerWaalsContact C-N 3.31Å; A366-V368 PolarHBondContact O-N 3.16Å; V368-F370 PolarHBondContact O-N 3.29Å; V368-Q371 WeakPolarHBondContact O-CB 3.34Å; V368-Q371 PolarHBondContact O-N 2.84Å |
| 369 | C | 93.9 | Very high | 93.6 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.02 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.4 | -32 | 174.3 | -73.9 | 0 | 0 | 0 | 0 | 113 | I173 T280 L284 L365 A366 Q371 C372 | I173-C369 WeakPolarHBondContact CD1-SG 3.3Å; T280-C369 HydrophobicContact CG2-CB 4.27Å; L284-C369 HydrophobicContact CD1-CB 4.25Å; L284-C369 VanDerWaalsContact CD1-SG 3.54Å; L365-C369 PolarHBondContact O-N 3.16Å; L365-C369 PolarHBondContact O-SG 3.01Å; A366-C369 PolarHBondContact O-N 3.19Å; C369-Q371 VanDerWaalsContact C-N 3.26Å; C369-Q371 PolarHBondContact O-N 3.35Å; C369-C372 WeakPolarHBondContact O-CB 3.21Å; C369-C372 PolarHBondContact O-N 2.94Å; C369-C372 VanDerWaalsContact O-N 3.1Å; C369-C372 PolarHBondContact O-SG 3.43Å; C369-C372 VanDerWaalsContact O-SG 3.4Å |
| 370 | F | 94.6 | Very high | 93.1 | Very high | 108 Ų | 108 | 42.3 Ų | 42.3 | 47% | 0.474 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.3 | -34.4 | 173.6 | -169.9 | -109.8 | 0 | 0 | 0 | 112.3 | T281 A366 V368 C372 L373 | T281-F370 HydrophobicContact CG2-CB 3.95Å; T281-F370 HydrophobicContact CG2-CD2 4Å; T281-F370 HydrophobicContact CG2-CG 4.39Å; T281-F370 WeakPolarHBondContact OG1-CA 3.35Å; T281-F370 PolarHBondContact OG1-N 2.86Å; A366-F370 PolarHBondContact O-N 3.19Å; V368-F370 PolarHBondContact O-N 3.29Å; F370-C372 PolarHBondContact O-N 3.48Å; F370-L373 HydrophobicContact CD2-CD1 3.88Å; F370-L373 HydrophobicContact CE2-CD1 3.65Å; F370-L373 HydrophobicContact CZ-CD1 4.17Å; F370-L373 WeakPolarHBondContact O-CB 3.34Å; F370-L373 PolarHBondContact O-N 3.01Å |
| 371 | Q | 93.3 | Very high | 92.4 | Very high | 112 Ų | 112 | 42.5 Ų | 42.5 | 52% | 0.523 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.6 | -14.6 | 176.3 | -57.6 | -61 | -21.9 | 0 | 0 | 113.3 | V368 C369 L373 T374 L375 | V368-Q371 WeakPolarHBondContact O-CB 3.34Å; V368-Q371 PolarHBondContact O-N 2.84Å; C369-Q371 VanDerWaalsContact C-N 3.26Å; C369-Q371 PolarHBondContact O-N 3.35Å; Q371-L373 PolarHBondContact O-N 2.97Å; Q371-T374 WeakPolarHBondContact O-CB 3.43Å; Q371-T374 PolarHBondContact O-N 3.15Å; Q371-T374 VanDerWaalsContact O-N 3.07Å; Q371-L375 PolarHBondContact O-N 3.45Å |
| 372 | C | 90.8 | Very high | 91.6 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.02 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56 | -31.1 | 169.7 | -64.5 | 0 | 0 | 0 | 0 | 111.9 | L169 A277 C369 F370 T374 L375 I376 | L169-C372 WeakPolarHBondContact CD1-SG 3.4Å; A277-C372 HydrophobicContact CB-CB 4.11Å; C369-C372 WeakPolarHBondContact O-CB 3.21Å; C369-C372 PolarHBondContact O-N 2.94Å; C369-C372 VanDerWaalsContact O-N 3.1Å; C369-C372 PolarHBondContact O-SG 3.43Å; C369-C372 VanDerWaalsContact O-SG 3.4Å; F370-C372 PolarHBondContact O-N 3.48Å; C372-T374 PolarHBondContact O-N 3.5Å; C372-L375 WeakPolarHBondContact O-CB 3.48Å; C372-L375 PolarHBondContact O-N 2.9Å; C372-I376 HydrophobicContact CB-CD1 4.12Å; C372-I376 WeakPolarHBondContact O-CB 3.49Å; C372-I376 WeakPolarHBondContact O-CD1 3.32Å; C372-I376 WeakPolarHBondContact O-CG1 3.28Å; C372-I376 PolarHBondContact O-N 3.29Å |
| 373 | L | 94 | Very high | 90.7 | Very high | 38 Ų | 38 | 50.6 Ų | 50.6 | 20% | 0.199 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54.8 | -40.2 | 176.1 | -71.6 | 171 | 0 | 0 | 0 | 112.2 | M274 A277 I278 F370 Q371 L377 | M274-L373 HydrophobicContact CB-CD2 4Å; M274-L373 HydrophobicContact CG-CD2 4.15Å; A277-L373 HydrophobicContact CB-CD2 3.83Å; A277-L373 HydrophobicContact CB-CG 4.01Å; I278-L373 HydrophobicContact CG1-CD1 4.21Å; I278-L373 HydrophobicContact CG1-CD2 4.18Å; F370-L373 HydrophobicContact CD2-CD1 3.88Å; F370-L373 HydrophobicContact CE2-CD1 3.65Å; F370-L373 HydrophobicContact CZ-CD1 4.17Å; F370-L373 WeakPolarHBondContact O-CB 3.34Å; F370-L373 PolarHBondContact O-N 3.01Å; Q371-L373 PolarHBondContact O-N 2.97Å; L373-L377 PolarHBondContact O-N 3.2Å |
| 374 | T | 92.2 | Very high | 90 | Very high | 85 Ų | 85 | 50 Ų | 50 | 52% | 0.521 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.6 | -38.7 | 177.3 | -51.3 | 0 | 0 | 0 | 0 | 111.7 | Q371 C372 L377 | Q371-T374 WeakPolarHBondContact O-CB 3.43Å; Q371-T374 PolarHBondContact O-N 3.15Å; Q371-T374 VanDerWaalsContact O-N 3.07Å; C372-T374 PolarHBondContact O-N 3.5Å; T374-L377 VanDerWaalsContact O-CB 3.32Å; T374-L377 WeakPolarHBondContact O-CB 3.38Å; T374-L377 PolarHBondContact O-N 3.04Å |
| 375 | L | 91.9 | Very high | 89.2 | Confident | 46 Ų | 46 | 49.2 Ų | 49.2 | 24% | 0.241 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68 | -40.7 | 176.6 | -63.8 | 169.3 | 0 | 0 | 0 | 111.6 | C165 Q371 C372 L377 L378 | C165-L375 HydrophobicContact CB-CD1 3.54Å; C165-L375 HydrophobicContact CB-CD2 3.97Å; C165-L375 HydrophobicContact CB-CG 4.34Å; Q371-L375 PolarHBondContact O-N 3.45Å; C372-L375 WeakPolarHBondContact O-CB 3.48Å; C372-L375 PolarHBondContact O-N 2.9Å; L375-L377 PolarHBondContact O-N 3.18Å; L375-L378 WeakPolarHBondContact O-CB 3.2Å; L375-L378 VanDerWaalsContact O-CG 3.32Å; L375-L378 WeakPolarHBondContact O-CG 3.45Å; L375-L378 PolarHBondContact O-N 3.09Å |
| 376 | I | 92.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.8 | -17.8 | 177.8 | -66.8 | 159 | 0 | 0 | 0 | 111.7 | R270 A273 M274 A277 C372 L378 F379 | R270-I376 HydrophobicContact CG-CG2 4.35Å; A273-I376 HydrophobicContact CB-CB 4.5Å; A273-I376 HydrophobicContact CB-CD1 3.93Å; A273-I376 HydrophobicContact CB-CG1 4.04Å; A273-I376 HydrophobicContact CB-CG2 3.61Å; A273-I376 WeakPolarHBondContact O-CD1 3.32Å; M274-I376 HydrophobicContact CE-CG2 4.29Å; M274-I376 HydrophobicContact CG-CG2 3.71Å; A277-I376 HydrophobicContact CB-CD1 3.89Å; C372-I376 HydrophobicContact CB-CD1 4.12Å; C372-I376 WeakPolarHBondContact O-CB 3.49Å; C372-I376 WeakPolarHBondContact O-CD1 3.32Å; C372-I376 WeakPolarHBondContact O-CG1 3.28Å; C372-I376 PolarHBondContact O-N 3.29Å; I376-L378 PolarHBondContact O-N 3.5Å; I376-F379 HydrophobicContact CB-CD2 4.49Å; I376-F379 HydrophobicContact CG1-CD2 4.43Å; I376-F379 HydrophobicContact CG1-CE2 4.19Å; I376-F379 HydrophobicContact CG2-CD2 4.11Å; I376-F379 WeakPolarHBondContact O-CB 3.43Å; I376-F379 PolarHBondContact O-N 2.84Å; I376-F379 VanDerWaalsContact O-N 3.16Å |
| 377 | L | 91.8 | Very high | 87.9 | Confident | 90 Ų | 90 | 56.6 Ų | 56.6 | 47% | 0.471 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23.6 | 168.7 | -63.1 | 173.5 | 0 | 0 | 0 | 112.9 | R270 M274 L373 T374 L375 F379 | R270-L377 PolarHBondContact NH2-O 3.27Å; M274-L377 HydrophobicContact CE-CD2 3.61Å; L373-L377 PolarHBondContact O-N 3.2Å; T374-L377 VanDerWaalsContact O-CB 3.32Å; T374-L377 WeakPolarHBondContact O-CB 3.38Å; T374-L377 PolarHBondContact O-N 3.04Å; L375-L377 PolarHBondContact O-N 3.18Å; L377-F379 VanDerWaalsContact C-N 3.33Å |
| 378 | L | 90.1 | Very high | 87.3 | Confident | 39 Ų | 39 | 56.7 Ų | 56.7 | 20% | 0.204 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -26.1 | 177.6 | -61.5 | 166.8 | 0 | 0 | 0 | 112.9 | W155 F158 L375 I376 R380 | W155-L378 HydrophobicContact CZ2-CD2 4.2Å; W155-L378 PolarHBondContact NE1-O 3.29Å; W155-L378 VanDerWaalsContact NE1-O 3.07Å; F158-L378 HydrophobicContact CB-CD2 4.47Å; L375-L378 WeakPolarHBondContact O-CB 3.2Å; L375-L378 VanDerWaalsContact O-CG 3.32Å; L375-L378 WeakPolarHBondContact O-CG 3.45Å; L375-L378 PolarHBondContact O-N 3.09Å; I376-L378 PolarHBondContact O-N 3.5Å; L378-R380 PolarHBondContact O-N 3.4Å |
| 379 | F | 87.8 | Confident | 86.7 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.009 | 28% | 0.282 | C | S | . | . | trans | -71.5 | 65.1 | 178.1 | -61.6 | -10.7 | 0 | 0 | 0 | 111.4 | V159 R270 A273 A315 T318 I376 L377 | V159-F379 HydrophobicContact CG1-CD1 4.07Å; V159-F379 HydrophobicContact CG1-CE1 4.46Å; R270-F379 WeakPolarHBondContact CB-O 3.03Å; R270-F379 WeakPolarHBondContact CD-O 3.48Å; R270-F379 HydrophobicContact CG-CB 4.34Å; R270-F379 VanDerWaalsContact CG-O 3.31Å; R270-F379 WeakPolarHBondContact CG-O 3.4Å; A273-F379 HydrophobicContact CB-CD2 4.32Å; A273-F379 HydrophobicContact CB-CE2 4.37Å; A315-F379 HydrophobicContact CB-CE2 4.14Å; A315-F379 HydrophobicContact CB-CZ 3.81Å; T318-F379 HydrophobicContact CG2-CB 4.36Å; T318-F379 HydrophobicContact CG2-CG 4.32Å; I376-F379 HydrophobicContact CB-CD2 4.49Å; I376-F379 HydrophobicContact CG1-CD2 4.43Å; I376-F379 HydrophobicContact CG1-CE2 4.19Å; I376-F379 HydrophobicContact CG2-CD2 4.11Å; I376-F379 WeakPolarHBondContact O-CB 3.43Å; I376-F379 PolarHBondContact O-N 2.84Å; I376-F379 VanDerWaalsContact O-N 3.16Å; L377-F379 VanDerWaalsContact C-N 3.33Å | ||
| 380 | R | 83.4 | Confident | 86.2 | Confident | 75 Ų | 75 | 61.5 Ų | 61.5 | 28% | 0.283 | 30% | 0.304 | S | S | . | . | trans | -68.3 | 131.3 | 171.1 | -172.5 | -177 | -62.8 | -152.3 | 1.5 | 108.8 | L378 V384 I388 | L378-R380 PolarHBondContact O-N 3.4Å; R380-V384 HydrophobicContact CG-CG1 4.5Å; R380-I388 VanDerWaalsContact NH1-CD1 3.27Å | ||
| 381 | P | 79.4 | Confident | 85.9 | Confident | 22 Ų | 22 | 58.4 Ų | 58.4 | 14% | 0.143 | 30% | 0.298 | C | S | . | . | trans | -60.8 | 145.2 | 171.2 | 24.1 | -31.5 | 0 | 0 | 0 | 110.5 | D383 V384 H385 | P381-D383 PolarHBondContact O-N 2.67Å; P381-V384 HydrophobicContact CG-CB 4.1Å; P381-V384 HydrophobicContact CG-CG2 3.83Å; P381-V384 PolarHBondContact O-N 2.76Å; P381-H385 PolarHBondContact O-N 3.21Å | ||
| 382 | W | 76.9 | Confident | 85.6 | Confident | 83 Ų | 83 | 59.1 Ų | 59.1 | 31% | 0.314 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.9 | -42 | -168.1 | 176.9 | 89.4 | 0 | 0 | 0 | 112 | V150 V384 H385 F386 | V150-W382 HydrophobicContact CG2-CZ2 4.24Å; W382-V384 VanDerWaalsContact C-N 3.32Å; W382-V384 PolarHBondContact O-N 3.46Å; W382-H385 CarbonylContact O-C 3.59Å; W382-H385 WeakPolarHBondContact O-CA 3.16Å; W382-H385 WeakPolarHBondContact O-CB 3.16Å; W382-H385 PolarHBondContact O-N 2.85Å; W382-F386 HydrophobicContact CH2-CB 4.39Å; W382-F386 HydrophobicContact CH2-CD2 4.15Å; W382-F386 HydrophobicContact CH2-CG 4.14Å; W382-F386 HydrophobicContact CZ2-CB 4.48Å; W382-F386 HydrophobicContact CZ2-CD2 4.11Å; W382-F386 HydrophobicContact CZ2-CG 4.39Å; W382-F386 HydrophobicContact CZ3-CB 4.43Å; W382-F386 HydrophobicContact CZ3-CG 4.5Å; W382-F386 PolarHBondContact O-N 3.17Å |
| 383 | D | 77.6 | Confident | 85.3 | Confident | 88 Ų | 88 | 63 Ų | 63 | 47% | 0.471 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.4 | -42 | -179.6 | -49.4 | -90 | 0 | 0 | 0 | 111.9 | P381 H385 F386 Q387 | P381-D383 PolarHBondContact O-N 2.67Å; D383-H385 VanDerWaalsContact C-N 3.29Å; D383-H385 PolarHBondContact O-N 3.29Å; D383-F386 PolarHBondContact O-N 3.4Å; D383-Q387 WeakPolarHBondContact O-CB 3.37Å; D383-Q387 VanDerWaalsContact O-CG 3.29Å; D383-Q387 WeakPolarHBondContact O-CG 3.26Å; D383-Q387 PolarHBondContact O-N 3.03Å |
| 384 | V | 81.1 | Confident | 85.1 | Confident | 57 Ų | 57 | 64 Ų | 64 | 35% | 0.345 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.3 | -30.6 | 175.6 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | R380 P381 W382 I388 | R380-V384 HydrophobicContact CG-CG1 4.5Å; P381-V384 HydrophobicContact CG-CB 4.1Å; P381-V384 HydrophobicContact CG-CG2 3.83Å; P381-V384 PolarHBondContact O-N 2.76Å; W382-V384 VanDerWaalsContact C-N 3.32Å; W382-V384 PolarHBondContact O-N 3.46Å; V384-I388 HydrophobicContact CG1-CD1 3.97Å; V384-I388 WeakPolarHBondContact O-CB 3.42Å; V384-I388 VanDerWaalsContact O-CD1 3.28Å; V384-I388 WeakPolarHBondContact O-CD1 3.1Å; V384-I388 WeakPolarHBondContact O-CG1 3.24Å; V384-I388 PolarHBondContact O-N 3.34Å |
| 385 | H | 80.8 | Confident | 85 | Confident | 41 Ų | 41 | 66 Ų | 66 | 19% | 0.19 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -71.4 | -45.5 | 170 | -174.1 | 71.6 | 0 | 0 | 0 | 112 | W322 P381 W382 D383 I388 T389 | W322-H385 HydrophobicContact CH2-CB 3.49Å; W322-H385 VanDerWaalsContact CH2-CB 3.49Å; W322-H385 AromaticContact CH2-CD2 3.49Å; W322-H385 VanDerWaalsContact CH2-CD2 3.49Å; W322-H385 WeakPolarHBondContact CH2-CD2 3.42Å; W322-H385 AromaticContact CH2-CG 3.33Å; W322-H385 AromaticContact CH2-ND1 3.9Å; W322-H385 HydrophobicContact CZ2-CB 4.1Å; W322-H385 HydrophobicContact CZ3-CB 4.32Å; W322-H385 AromaticContact CZ3-CD2 3.44Å; W322-H385 VanDerWaalsContact CZ3-CD2 3.44Å; W322-H385 WeakPolarHBondContact CZ3-CD2 3.4Å; W322-H385 AromaticContact CZ3-CG 3.82Å; W322-H385 AromaticContact CZ3-NE2 3.89Å; P381-H385 PolarHBondContact O-N 3.21Å; W382-H385 CarbonylContact O-C 3.59Å; W382-H385 WeakPolarHBondContact O-CA 3.16Å; W382-H385 WeakPolarHBondContact O-CB 3.16Å; W382-H385 PolarHBondContact O-N 2.85Å; D383-H385 VanDerWaalsContact C-N 3.29Å; D383-H385 PolarHBondContact O-N 3.29Å; H385-I388 PolarHBondContact O-N 2.98Å; H385-T389 PolarHBondContact NE2-OG1 3.28Å; H385-T389 WeakPolarHBondContact O-CB 3.38Å; H385-T389 PolarHBondContact O-N 3.32Å; H385-T389 PolarHBondContact O-OG1 3.24Å |
| 386 | F | 79.1 | Confident | 85 | Confident | 72 Ų | 72 | 71.2 Ų | 71.2 | 32% | 0.316 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.8 | -49.5 | 179.3 | -175.1 | -108.7 | 0 | 0 | 0 | 111.5 | W382 D383 I388 T389 Q390 | W382-F386 HydrophobicContact CH2-CB 4.39Å; W382-F386 HydrophobicContact CH2-CD2 4.15Å; W382-F386 HydrophobicContact CH2-CG 4.14Å; W382-F386 HydrophobicContact CZ2-CB 4.48Å; W382-F386 HydrophobicContact CZ2-CD2 4.11Å; W382-F386 HydrophobicContact CZ2-CG 4.39Å; W382-F386 HydrophobicContact CZ3-CB 4.43Å; W382-F386 HydrophobicContact CZ3-CG 4.5Å; W382-F386 PolarHBondContact O-N 3.17Å; D383-F386 PolarHBondContact O-N 3.4Å; F386-I388 VanDerWaalsContact C-N 3.33Å; F386-I388 PolarHBondContact O-N 3.02Å; F386-T389 PolarHBondContact O-N 3.44Å; F386-Q390 HydrophobicContact CE1-CG 4.32Å; F386-Q390 HydrophobicContact CZ-CG 4.41Å; F386-Q390 VanDerWaalsContact CZ-NE2 3.3Å; F386-Q390 WeakPolarHBondContact O-CG 3.47Å; F386-Q390 PolarHBondContact O-N 2.96Å |
| 387 | Q | 84.5 | Confident | 85 | Confident | 106 Ų | 106 | 75.7 Ų | 75.7 | 50% | 0.495 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.4 | -42.3 | 173.4 | -70.5 | 175.4 | 23.8 | 0 | 0 | 112.5 | D383 A391 | D383-Q387 WeakPolarHBondContact O-CB 3.37Å; D383-Q387 VanDerWaalsContact O-CG 3.29Å; D383-Q387 WeakPolarHBondContact O-CG 3.26Å; D383-Q387 PolarHBondContact O-N 3.03Å; Q387-A391 WeakPolarHBondContact O-CB 3.35Å; Q387-A391 PolarHBondContact O-N 3.48Å |
| 388 | I | 83.4 | Confident | 85 | Confident | 61 Ų | 61 | 74.2 Ų | 74.2 | 31% | 0.313 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67 | -40.2 | 177.9 | -74.9 | 170.7 | 0 | 0 | 0 | 111.2 | R380 V384 H385 F386 A391 Q392 | R380-I388 VanDerWaalsContact NH1-CD1 3.27Å; V384-I388 HydrophobicContact CG1-CD1 3.97Å; V384-I388 WeakPolarHBondContact O-CB 3.42Å; V384-I388 VanDerWaalsContact O-CD1 3.28Å; V384-I388 WeakPolarHBondContact O-CD1 3.1Å; V384-I388 WeakPolarHBondContact O-CG1 3.24Å; V384-I388 PolarHBondContact O-N 3.34Å; H385-I388 PolarHBondContact O-N 2.98Å; F386-I388 VanDerWaalsContact C-N 3.33Å; F386-I388 PolarHBondContact O-N 3.02Å; I388-A391 PolarHBondContact O-N 3.26Å; I388-Q392 WeakPolarHBondContact O-CB 3.33Å; I388-Q392 VanDerWaalsContact O-CG 3.25Å; I388-Q392 WeakPolarHBondContact O-CG 3.44Å; I388-Q392 PolarHBondContact O-N 3.39Å |
| 389 | T | 82.5 | Confident | 85.2 | Confident | 60 Ų | 60 | 80.6 Ų | 80.6 | 37% | 0.368 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.4 | -43.6 | 177.8 | -65.9 | 0 | 0 | 0 | 0 | 111.2 | H385 F386 Q392 H393 | H385-T389 PolarHBondContact NE2-OG1 3.28Å; H385-T389 WeakPolarHBondContact O-CB 3.38Å; H385-T389 PolarHBondContact O-N 3.32Å; H385-T389 PolarHBondContact O-OG1 3.24Å; F386-T389 PolarHBondContact O-N 3.44Å; T389-Q392 PolarHBondContact O-N 3.28Å; T389-H393 WeakPolarHBondContact O-CB 3.45Å; T389-H393 PolarHBondContact O-N 3.32Å |
| 390 | Q | 83.5 | Confident | 85.4 | Confident | 103 Ų | 103 | 83.3 Ų | 83.3 | 48% | 0.481 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.5 | -48.7 | 170.5 | -75.4 | -169.3 | -18.7 | 0 | 0 | 111.8 | F386 Q392 H393 A394 | F386-Q390 HydrophobicContact CE1-CG 4.32Å; F386-Q390 HydrophobicContact CZ-CG 4.41Å; F386-Q390 VanDerWaalsContact CZ-NE2 3.3Å; F386-Q390 WeakPolarHBondContact O-CG 3.47Å; F386-Q390 PolarHBondContact O-N 2.96Å; Q390-Q392 VanDerWaalsContact C-N 3.29Å; Q390-Q392 PolarHBondContact O-N 2.93Å; Q390-H393 PolarHBondContact O-N 3.02Å; Q390-H393 VanDerWaalsContact O-N 3.11Å; Q390-A394 WeakPolarHBondContact O-CB 3.38Å; Q390-A394 PolarHBondContact O-N 3.34Å |
| 391 | A | 86.5 | Confident | 85.9 | Confident | 43 Ų | 43 | 82.4 Ų | 82.4 | 36% | 0.355 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.2 | -31.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q387 I388 K395 | Q387-A391 WeakPolarHBondContact O-CB 3.35Å; Q387-A391 PolarHBondContact O-N 3.48Å; I388-A391 PolarHBondContact O-N 3.26Å; A391-K395 WeakPolarHBondContact O-CB 3.16Å; A391-K395 VanDerWaalsContact O-CD 3.32Å; A391-K395 WeakPolarHBondContact O-CD 3.45Å; A391-K395 WeakPolarHBondContact O-CG 3.49Å; A391-K395 PolarHBondContact O-N 3.04Å; A391-K395 VanDerWaalsContact O-N 3.15Å |
| 392 | Q | 86.9 | Confident | 86.5 | Confident | 127 Ų | 127 | 84.2 Ų | 84.2 | 59% | 0.593 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -71.6 | -40.9 | 171.2 | -75.4 | 179.8 | 25.1 | 0 | 0 | 111.9 | I388 T389 Q390 K395 R396 | I388-Q392 WeakPolarHBondContact O-CB 3.33Å; I388-Q392 VanDerWaalsContact O-CG 3.25Å; I388-Q392 WeakPolarHBondContact O-CG 3.44Å; I388-Q392 PolarHBondContact O-N 3.39Å; T389-Q392 PolarHBondContact O-N 3.28Å; Q390-Q392 VanDerWaalsContact C-N 3.29Å; Q390-Q392 PolarHBondContact O-N 2.93Å; Q392-K395 PolarHBondContact O-N 3.07Å; Q392-R396 WeakPolarHBondContact O-CB 3.46Å; Q392-R396 PolarHBondContact O-N 2.87Å |
| 393 | H | 85.2 | Confident | 87.3 | Confident | 85 Ų | 85 | 88.9 Ų | 88.9 | 39% | 0.394 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.2 | -47.2 | 177.6 | -167.4 | -131.9 | 0 | 0 | 0 | 111.5 | T389 Q390 K395 R396 L397 | T389-H393 WeakPolarHBondContact O-CB 3.45Å; T389-H393 PolarHBondContact O-N 3.32Å; Q390-H393 PolarHBondContact O-N 3.02Å; Q390-H393 VanDerWaalsContact O-N 3.11Å; H393-K395 PolarHBondContact O-N 3Å; H393-R396 CarbonylContact O-C 3.55Å; H393-R396 WeakPolarHBondContact O-CA 3.26Å; H393-R396 WeakPolarHBondContact O-CB 3.37Å; H393-R396 PolarHBondContact O-N 3.33Å; H393-L397 WeakPolarHBondContact O-CG 3.47Å; H393-L397 PolarHBondContact O-N 3.39Å |
| 394 | A | 89.2 | Confident | 88.1 | Confident | 58 Ų | 58 | 93.6 Ų | 93.6 | 48% | 0.479 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -57.2 | -45 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q390 R396 L397 A398 | Q390-A394 WeakPolarHBondContact O-CB 3.38Å; Q390-A394 PolarHBondContact O-N 3.34Å; A394-R396 VanDerWaalsContact C-N 3.28Å; A394-R396 PolarHBondContact O-N 3.01Å; A394-L397 PolarHBondContact O-N 2.99Å; A394-A398 WeakPolarHBondContact O-CB 3.46Å; A394-A398 PolarHBondContact O-N 2.88Å |
| 395 | K | 92 | Very high | 88.6 | Confident | 127 Ų | 127 | 93.1 Ų | 93.1 | 55% | 0.552 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.5 | -29.3 | 174.6 | -75.6 | 168.7 | -174.3 | 170.2 | 0 | 113 | A391 Q392 H393 R399 | A391-K395 WeakPolarHBondContact O-CB 3.16Å; A391-K395 VanDerWaalsContact O-CD 3.32Å; A391-K395 WeakPolarHBondContact O-CD 3.45Å; A391-K395 WeakPolarHBondContact O-CG 3.49Å; A391-K395 PolarHBondContact O-N 3.04Å; A391-K395 VanDerWaalsContact O-N 3.15Å; Q392-K395 PolarHBondContact O-N 3.07Å; H393-K395 PolarHBondContact O-N 3Å; K395-R399 VanDerWaalsContact O-CD 3.29Å; K395-R399 WeakPolarHBondContact O-CD 3.5Å; K395-R399 WeakPolarHBondContact O-CG 3.45Å; K395-R399 PolarHBondContact O-N 3.49Å |
| 396 | R | 90.2 | Very high | 89.2 | Confident | 157 Ų | 157 | 93 Ų | 93 | 59% | 0.592 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -73.6 | -49.4 | 173.7 | -177.9 | 176 | 176.6 | 174.3 | -4.3 | 111.3 | Q392 H393 A394 A398 R399 E400 | Q392-R396 WeakPolarHBondContact O-CB 3.46Å; Q392-R396 PolarHBondContact O-N 2.87Å; H393-R396 CarbonylContact O-C 3.55Å; H393-R396 WeakPolarHBondContact O-CA 3.26Å; H393-R396 WeakPolarHBondContact O-CB 3.37Å; H393-R396 PolarHBondContact O-N 3.33Å; A394-R396 VanDerWaalsContact C-N 3.28Å; A394-R396 PolarHBondContact O-N 3.01Å; R396-A398 VanDerWaalsContact C-N 3.33Å; R396-A398 PolarHBondContact O-N 3.03Å; R396-R399 WeakPolarHBondContact O-CB 3.33Å; R396-R399 PolarHBondContact O-N 2.82Å; R396-R399 VanDerWaalsContact O-N 3.13Å; R396-E400 WeakPolarHBondContact CG-OE1 3.42Å; R396-E400 IonicContact CZ-OE1 2.72Å; R396-E400 IonicContact NE-OE1 3.19Å; R396-E400 PolarHBondContact NE-OE1 3.13Å; R396-E400 IonicContact NH2-OE1 2.67Å; R396-E400 WeakPolarHBondContact O-CG 3.43Å; R396-E400 PolarHBondContact O-N 2.85Å |
| 397 | L | 92.8 | Very high | 89.9 | Confident | 93 Ų | 93 | 92.3 Ų | 92.3 | 49% | 0.487 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58 | -44.3 | 176 | -69 | 175 | 0 | 0 | 0 | 111.4 | H393 A394 R399 E400 A401 | H393-L397 WeakPolarHBondContact O-CG 3.47Å; H393-L397 PolarHBondContact O-N 3.39Å; A394-L397 PolarHBondContact O-N 2.99Å; L397-R399 VanDerWaalsContact C-N 3.34Å; L397-R399 PolarHBondContact O-N 3.4Å; L397-E400 PolarHBondContact O-N 3.21Å; L397-E400 VanDerWaalsContact O-N 3.16Å; L397-A401 WeakPolarHBondContact O-CB 3.02Å; L397-A401 PolarHBondContact O-N 3.22Å |
| 398 | A | 92 | Very high | 90.4 | Very high | 60 Ų | 60 | 92.4 Ų | 92.4 | 50% | 0.496 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.5 | -41.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A394 R396 A402 | A394-A398 WeakPolarHBondContact O-CB 3.46Å; A394-A398 PolarHBondContact O-N 2.88Å; R396-A398 VanDerWaalsContact C-N 3.33Å; R396-A398 PolarHBondContact O-N 3.03Å; A398-A402 VanDerWaalsContact O-CB 3.28Å; A398-A402 WeakPolarHBondContact O-CB 3.49Å; A398-A402 PolarHBondContact O-N 3.27Å |
| 399 | R | 93.5 | Very high | 90.9 | Very high | 172 Ų | 172 | 98.4 Ų | 98.4 | 65% | 0.649 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.9 | -37.3 | 174.8 | -73.5 | 165.9 | 178.2 | 178.6 | -2.1 | 112.5 | K395 R396 L397 R403 | K395-R399 VanDerWaalsContact O-CD 3.29Å; K395-R399 WeakPolarHBondContact O-CD 3.5Å; K395-R399 WeakPolarHBondContact O-CG 3.45Å; K395-R399 PolarHBondContact O-N 3.49Å; R396-R399 WeakPolarHBondContact O-CB 3.33Å; R396-R399 PolarHBondContact O-N 2.82Å; R396-R399 VanDerWaalsContact O-N 3.13Å; L397-R399 VanDerWaalsContact C-N 3.34Å; L397-R399 PolarHBondContact O-N 3.4Å; R399-R403 WeakPolarHBondContact O-CB 3.05Å; R399-R403 WeakPolarHBondContact O-CD 3.38Å; R399-R403 WeakPolarHBondContact O-CG 3.46Å; R399-R403 PolarHBondContact O-N 3.02Å; R399-R403 VanDerWaalsContact O-N 3.07Å |
| 400 | E | 93.6 | Very high | 91.4 | Very high | 60 Ų | 60 | 103.5 Ų | 103.5 | 28% | 0.28 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -74.8 | -36.8 | 178.6 | -69 | -177.2 | -156.2 | 0 | 0 | 111.6 | R396 L397 R403 R404 | R396-E400 WeakPolarHBondContact CG-OE1 3.42Å; R396-E400 IonicContact CZ-OE1 2.72Å; R396-E400 IonicContact NE-OE1 3.19Å; R396-E400 PolarHBondContact NE-OE1 3.13Å; R396-E400 IonicContact NH2-OE1 2.67Å; R396-E400 WeakPolarHBondContact O-CG 3.43Å; R396-E400 PolarHBondContact O-N 2.85Å; L397-E400 PolarHBondContact O-N 3.21Å; L397-E400 VanDerWaalsContact O-N 3.16Å; E400-R403 PolarHBondContact O-N 3.36Å; E400-R404 WeakPolarHBondContact O-CG 3.16Å; E400-R404 PolarHBondContact O-N 3.39Å |
| 401 | A | 92.8 | Very high | 91.8 | Very high | 55 Ų | 55 | 100.9 Ų | 100.9 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 170 | 0 | 0 | 0 | 0 | 0 | 112 | L397 R403 R404 A405 | L397-A401 WeakPolarHBondContact O-CB 3.02Å; L397-A401 PolarHBondContact O-N 3.22Å; A401-R403 VanDerWaalsContact C-N 3.28Å; A401-R403 PolarHBondContact O-N 3.42Å; A401-R404 PolarHBondContact O-N 3.29Å; A401-A405 PolarHBondContact O-N 3.36Å |
| 402 | A | 92.4 | Very high | 92.2 | Very high | 61 Ų | 61 | 103.3 Ų | 103.3 | 50% | 0.504 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.5 | -38 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A398 A406 | A398-A402 VanDerWaalsContact O-CB 3.28Å; A398-A402 WeakPolarHBondContact O-CB 3.49Å; A398-A402 PolarHBondContact O-N 3.27Å; A402-A406 VanDerWaalsContact O-CB 3.25Å; A402-A406 WeakPolarHBondContact O-CB 3.33Å; A402-A406 PolarHBondContact O-N 3.35Å |
| 403 | R | 93.9 | Very high | 92.5 | Very high | 180 Ų | 180 | 99.6 Ų | 99.6 | 68% | 0.679 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.7 | -41.1 | 172.4 | -75.6 | 166.7 | 178.1 | -177.8 | -2 | 112.5 | R399 E400 A401 A407 | R399-R403 WeakPolarHBondContact O-CB 3.05Å; R399-R403 WeakPolarHBondContact O-CD 3.38Å; R399-R403 WeakPolarHBondContact O-CG 3.46Å; R399-R403 PolarHBondContact O-N 3.02Å; R399-R403 VanDerWaalsContact O-N 3.07Å; E400-R403 PolarHBondContact O-N 3.36Å; A401-R403 VanDerWaalsContact C-N 3.28Å; A401-R403 PolarHBondContact O-N 3.42Å; R403-A407 WeakPolarHBondContact O-CB 3.39Å; R403-A407 PolarHBondContact O-N 2.88Å |
| 404 | R | 94.1 | Very high | 92.9 | Very high | 187 Ų | 187 | 101.7 Ų | 101.7 | 71% | 0.706 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.1 | -47.3 | 175.6 | -71.8 | 174.6 | -172.4 | 177 | 4.7 | 111.6 | E400 A401 A406 A407 L408 | E400-R404 WeakPolarHBondContact O-CG 3.16Å; E400-R404 PolarHBondContact O-N 3.39Å; A401-R404 PolarHBondContact O-N 3.29Å; R404-A406 PolarHBondContact O-N 3.38Å; R404-A407 WeakPolarHBondContact O-CB 3.48Å; R404-A407 PolarHBondContact O-N 3.24Å; R404-L408 PolarHBondContact O-N 3.46Å |
| 405 | A | 92.5 | Very high | 93 | Very high | 48 Ų | 48 | 107.9 Ų | 107.9 | 40% | 0.397 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A401 A407 L408 R409 | A401-A405 PolarHBondContact O-N 3.36Å; A405-A407 VanDerWaalsContact C-N 3.26Å; A405-A407 PolarHBondContact O-N 3.41Å; A405-L408 PolarHBondContact O-N 2.95Å; A405-R409 WeakPolarHBondContact O-CG 3.22Å; A405-R409 PolarHBondContact O-N 3.37Å |
| 406 | A | 92.9 | Very high | 93 | Very high | 39 Ų | 39 | 106.7 Ų | 106.7 | 32% | 0.322 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70 | -19.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | A402 R404 R410 | A402-A406 VanDerWaalsContact O-CB 3.25Å; A402-A406 WeakPolarHBondContact O-CB 3.33Å; A402-A406 PolarHBondContact O-N 3.35Å; R404-A406 PolarHBondContact O-N 3.38Å; A406-R410 WeakPolarHBondContact O-CG 3.22Å; A406-R410 PolarHBondContact O-NH1 3.33Å |
| 407 | A | 92.7 | Very high | 93 | Very high | 56 Ų | 56 | 105.1 Ų | 105.1 | 46% | 0.463 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -80.6 | -42.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R403 R404 A405 R410 A411 | R403-A407 WeakPolarHBondContact O-CB 3.39Å; R403-A407 PolarHBondContact O-N 2.88Å; R404-A407 WeakPolarHBondContact O-CB 3.48Å; R404-A407 PolarHBondContact O-N 3.24Å; A405-A407 VanDerWaalsContact C-N 3.26Å; A405-A407 PolarHBondContact O-N 3.41Å; A407-R410 PolarHBondContact O-N 3.11Å; A407-A411 PolarHBondContact O-N 3.07Å; A407-A411 VanDerWaalsContact O-N 3.09Å |
| 408 | L | 95.2 | Very high | 92.9 | Very high | 108 Ų | 108 | 106 Ų | 106 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -57.6 | -52 | 176.7 | -161.4 | 80.8 | 0 | 0 | 0 | 111.3 | R404 A405 R410 A411 E412 | R404-L408 PolarHBondContact O-N 3.46Å; A405-L408 PolarHBondContact O-N 2.95Å; L408-R410 PolarHBondContact O-N 3.21Å; L408-R410 VanDerWaalsContact O-N 3.11Å; L408-A411 WeakPolarHBondContact O-CB 3.26Å; L408-A411 PolarHBondContact O-N 3Å; L408-E412 VanDerWaalsContact CD2-OE1 3.3Å; L408-E412 WeakPolarHBondContact CD2-OE1 3.43Å; L408-E412 WeakPolarHBondContact CG-OE1 3.44Å; L408-E412 WeakPolarHBondContact O-CG 3.41Å; L408-E412 PolarHBondContact O-N 3.07Å |
| 409 | R | 93.9 | Very high | 93 | Very high | 188 Ų | 188 | 108.1 Ų | 108.1 | 71% | 0.709 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -56.3 | -29.6 | 176.9 | -70.8 | 178.4 | 179.6 | 177.6 | -0.6 | 114.1 | A405 E412 A413 | A405-R409 WeakPolarHBondContact O-CG 3.22Å; A405-R409 PolarHBondContact O-N 3.37Å; R409-E412 VanDerWaalsContact CA-OE2 3.31Å; R409-E412 WeakPolarHBondContact CA-OE2 3.22Å; R409-A413 WeakPolarHBondContact O-CB 3.19Å; R409-A413 PolarHBondContact O-N 2.95Å; R409-A413 VanDerWaalsContact O-N 3.16Å |
| 410 | R | 94 | Very high | 92.8 | Very high | 166 Ų | 166 | 102 Ų | 102 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -75.3 | -43.4 | 174.1 | -72.6 | 177.2 | 179.1 | 101.1 | -7.2 | 111.7 | A406 A407 L408 E412 A413 E414 | A406-R410 WeakPolarHBondContact O-CG 3.22Å; A406-R410 PolarHBondContact O-NH1 3.33Å; A407-R410 PolarHBondContact O-N 3.11Å; L408-R410 PolarHBondContact O-N 3.21Å; L408-R410 VanDerWaalsContact O-N 3.11Å; R410-E412 VanDerWaalsContact C-N 3.32Å; R410-E412 PolarHBondContact O-N 3.37Å; R410-A413 PolarHBondContact O-N 3.48Å; R410-E414 WeakPolarHBondContact O-CG 3.5Å; R410-E414 PolarHBondContact O-N 2.9Å |
| 411 | A | 91.6 | Very high | 92.7 | Very high | 48 Ų | 48 | 108 Ų | 108 | 40% | 0.397 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.8 | -35.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A407 L408 E414 R415 | A407-A411 PolarHBondContact O-N 3.07Å; A407-A411 VanDerWaalsContact O-N 3.09Å; L408-A411 WeakPolarHBondContact O-CB 3.26Å; L408-A411 PolarHBondContact O-N 3Å; A411-E414 PolarHBondContact O-N 2.77Å; A411-R415 WeakPolarHBondContact O-CG 3.32Å; A411-R415 PolarHBondContact O-N 3.47Å |
| 412 | E | 94.4 | Very high | 92.6 | Very high | 94 Ų | 94 | 114 Ų | 114 | 44% | 0.439 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64 | -49.8 | 172.7 | -71.4 | 160.5 | 172.1 | 0 | 0 | 111.3 | L408 R409 R410 E414 R415 V416 | L408-E412 VanDerWaalsContact CD2-OE1 3.3Å; L408-E412 WeakPolarHBondContact CD2-OE1 3.43Å; L408-E412 WeakPolarHBondContact CG-OE1 3.44Å; L408-E412 WeakPolarHBondContact O-CG 3.41Å; L408-E412 PolarHBondContact O-N 3.07Å; R409-E412 VanDerWaalsContact CA-OE2 3.31Å; R409-E412 WeakPolarHBondContact CA-OE2 3.22Å; R410-E412 VanDerWaalsContact C-N 3.32Å; R410-E412 PolarHBondContact O-N 3.37Å; E412-E414 VanDerWaalsContact C-N 3.31Å; E412-E414 PolarHBondContact O-N 3Å; E412-R415 WeakPolarHBondContact O-CB 3.11Å; E412-R415 PolarHBondContact O-N 3.42Å; E412-R415 VanDerWaalsContact O-N 3.12Å; E412-V416 WeakPolarHBondContact O-CG2 3.18Å; E412-V416 PolarHBondContact O-N 3.25Å |
| 413 | A | 93.5 | Very high | 92.5 | Very high | 50 Ų | 50 | 119.3 Ų | 119.3 | 41% | 0.413 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.3 | -39.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R409 R410 V416 L417 | R409-A413 WeakPolarHBondContact O-CB 3.19Å; R409-A413 PolarHBondContact O-N 2.95Å; R409-A413 VanDerWaalsContact O-N 3.16Å; R410-A413 PolarHBondContact O-N 3.48Å; A413-V416 PolarHBondContact O-N 3.47Å; A413-L417 WeakPolarHBondContact O-CB 3.47Å; A413-L417 VanDerWaalsContact O-CG 3.29Å; A413-L417 WeakPolarHBondContact O-CG 3.47Å; A413-L417 PolarHBondContact O-N 2.93Å |
| 414 | E | 93.4 | Very high | 92.2 | Very high | 129 Ų | 129 | 118.5 Ų | 118.5 | 60% | 0.603 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.6 | -40.5 | 173.9 | -76.3 | -177.1 | -179.4 | 0 | 0 | 112.4 | R410 A411 E412 L417 L418 | R410-E414 WeakPolarHBondContact O-CG 3.5Å; R410-E414 PolarHBondContact O-N 2.9Å; A411-E414 PolarHBondContact O-N 2.77Å; E412-E414 VanDerWaalsContact C-N 3.31Å; E412-E414 PolarHBondContact O-N 3Å; E414-L417 PolarHBondContact O-N 2.63Å; E414-L418 WeakPolarHBondContact O-CB 3.22Å; E414-L418 VanDerWaalsContact O-CG 3.29Å; E414-L418 WeakPolarHBondContact O-CG 3.24Å; E414-L418 PolarHBondContact O-N 3.22Å |
| 415 | R | 92.5 | Very high | 91.7 | Very high | 188 Ų | 188 | 117.6 Ų | 117.6 | 71% | 0.709 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.6 | -48.1 | 173.5 | -76.9 | -179 | 177.2 | -163.5 | 0.6 | 111.9 | A411 E412 L417 L418 E419 | A411-R415 WeakPolarHBondContact O-CG 3.32Å; A411-R415 PolarHBondContact O-N 3.47Å; E412-R415 WeakPolarHBondContact O-CB 3.11Å; E412-R415 PolarHBondContact O-N 3.42Å; E412-R415 VanDerWaalsContact O-N 3.12Å; R415-L417 VanDerWaalsContact C-N 3.31Å; R415-L417 PolarHBondContact O-N 3.09Å; R415-L418 PolarHBondContact O-N 2.9Å; R415-L418 VanDerWaalsContact O-N 3.13Å; R415-E419 PolarHBondContact O-N 3.47Å |
| 416 | V | 90.8 | Very high | 91.6 | Very high | 102 Ų | 102 | 119.6 Ų | 119.6 | 62% | 0.618 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.1 | -41.2 | 178.2 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | E412 A413 E419 A420 | E412-V416 WeakPolarHBondContact O-CG2 3.18Å; E412-V416 PolarHBondContact O-N 3.25Å; A413-V416 PolarHBondContact O-N 3.47Å; V416-E419 PolarHBondContact O-N 3.16Å; V416-A420 WeakPolarHBondContact O-CB 3.26Å; V416-A420 PolarHBondContact O-N 3.23Å |
| 417 | L | 91.5 | Very high | 91.1 | Very high | 124 Ų | 124 | 120.3 Ų | 120.3 | 65% | 0.649 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.1 | -37.2 | 175.3 | -73.7 | 170 | 0 | 0 | 0 | 113.1 | A413 E414 R415 R421 | A413-L417 WeakPolarHBondContact O-CB 3.47Å; A413-L417 VanDerWaalsContact O-CG 3.29Å; A413-L417 WeakPolarHBondContact O-CG 3.47Å; A413-L417 PolarHBondContact O-N 2.93Å; E414-L417 PolarHBondContact O-N 2.63Å; R415-L417 VanDerWaalsContact C-N 3.31Å; R415-L417 PolarHBondContact O-N 3.09Å; L417-R421 WeakPolarHBondContact O-CB 3.2Å; L417-R421 PolarHBondContact O-N 3.13Å |
| 418 | L | 90.7 | Very high | 90.6 | Very high | 110 Ų | 110 | 120.7 Ų | 120.7 | 58% | 0.576 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.1 | -40.7 | 174.7 | -74 | 169.7 | 0 | 0 | 0 | 111.9 | E414 R415 R421 R422 | E414-L418 WeakPolarHBondContact O-CB 3.22Å; E414-L418 VanDerWaalsContact O-CG 3.29Å; E414-L418 WeakPolarHBondContact O-CG 3.24Å; E414-L418 PolarHBondContact O-N 3.22Å; R415-L418 PolarHBondContact O-N 2.9Å; R415-L418 VanDerWaalsContact O-N 3.13Å; L418-R421 PolarHBondContact O-N 2.89Å; L418-R422 PolarHBondContact O-N 3.25Å |
| 419 | E | 92.9 | Very high | 89.9 | Confident | 106 Ų | 106 | 120 Ų | 120 | 50% | 0.495 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65 | -45.3 | 173.5 | -78.2 | -163 | -156.4 | 0 | 0 | 112.5 | R415 V416 R421 R422 R423 | R415-E419 PolarHBondContact O-N 3.47Å; V416-E419 PolarHBondContact O-N 3.16Å; E419-R421 PolarHBondContact O-N 3.4Å; E419-R422 CarbonylContact O-C 3.48Å; E419-R422 WeakPolarHBondContact O-CA 3.36Å; E419-R422 WeakPolarHBondContact O-CB 3.19Å; E419-R422 PolarHBondContact O-N 2.66Å; E419-R423 WeakPolarHBondContact O-CG 3.33Å; E419-R423 PolarHBondContact O-N 2.9Å; E419-R423 IonicContact OE2-NH2 3.57Å; E419-R423 PolarHBondContact OE2-NH2 2.94Å |
| 420 | A | 89.8 | Confident | 89.2 | Confident | 44 Ų | 44 | 117.5 Ų | 117.5 | 36% | 0.364 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -58.8 | -37.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | V416 K424 | V416-A420 WeakPolarHBondContact O-CB 3.26Å; V416-A420 PolarHBondContact O-N 3.23Å; A420-K424 WeakPolarHBondContact O-CG 3.37Å; A420-K424 PolarHBondContact O-N 2.97Å; A420-K424 VanDerWaalsContact O-N 3.11Å |
| 421 | R | 90.7 | Very high | 88.3 | Confident | 185 Ų | 185 | 112.3 Ų | 112.3 | 70% | 0.698 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.9 | -40.9 | 172.2 | -177.4 | 176.5 | -75.9 | 169.4 | -2.7 | 112.1 | L417 L418 E419 K424 Y425 | L417-R421 WeakPolarHBondContact O-CB 3.2Å; L417-R421 PolarHBondContact O-N 3.13Å; L418-R421 PolarHBondContact O-N 2.89Å; E419-R421 PolarHBondContact O-N 3.4Å; R421-K424 PolarHBondContact O-N 3.27Å; R421-Y425 PolarHBondContact O-N 3.18Å |
| 422 | R | 91.9 | Very high | 87.3 | Confident | 180 Ų | 180 | 112.5 Ų | 112.5 | 68% | 0.679 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.6 | -45 | 175.8 | -173.2 | -178.7 | 179 | -164.3 | -0.4 | 111.8 | L418 E419 K424 Y425 L426 | L418-R422 PolarHBondContact O-N 3.25Å; E419-R422 CarbonylContact O-C 3.48Å; E419-R422 WeakPolarHBondContact O-CA 3.36Å; E419-R422 WeakPolarHBondContact O-CB 3.19Å; E419-R422 PolarHBondContact O-N 2.66Å; R422-K424 PolarHBondContact O-N 2.79Å; R422-Y425 PolarHBondContact O-N 3.18Å; R422-L426 HydrophobicContact CG-CD1 4.2Å; R422-L426 WeakPolarHBondContact O-CG 3.36Å; R422-L426 PolarHBondContact O-N 2.97Å |
| 423 | R | 90.5 | Very high | 85.9 | Confident | 173 Ų | 173 | 110.7 Ų | 110.7 | 65% | 0.653 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -59.9 | -44.4 | 175.4 | -67.1 | -177 | -163.3 | -162.7 | 6.8 | 111.2 | E419 Y425 L426 A427 | E419-R423 WeakPolarHBondContact O-CG 3.33Å; E419-R423 PolarHBondContact O-N 2.9Å; E419-R423 IonicContact OE2-NH2 3.57Å; E419-R423 PolarHBondContact OE2-NH2 2.94Å; R423-Y425 VanDerWaalsContact C-N 3.35Å; R423-Y425 PolarHBondContact O-N 3.12Å; R423-L426 PolarHBondContact O-N 3.18Å; R423-A427 WeakPolarHBondContact O-CB 3.33Å; R423-A427 PolarHBondContact O-N 2.79Å |
| 424 | K | 86.3 | Confident | 84.5 | Confident | 164 Ų | 164 | 111.8 Ų | 111.8 | 71% | 0.713 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62 | -37.4 | 174.2 | -75.1 | 178 | 179.2 | -178.6 | 0 | 113.3 | A420 R421 R422 A428 | A420-K424 WeakPolarHBondContact O-CG 3.37Å; A420-K424 PolarHBondContact O-N 2.97Å; A420-K424 VanDerWaalsContact O-N 3.11Å; R421-K424 PolarHBondContact O-N 3.27Å; R422-K424 PolarHBondContact O-N 2.79Å; K424-A428 WeakPolarHBondContact O-CB 3.28Å; K424-A428 PolarHBondContact O-N 3.37Å; K424-A428 VanDerWaalsContact O-N 3.13Å |
| 425 | Y | 85.1 | Confident | 82.8 | Confident | 167 Ų | 167 | 109 Ų | 109 | 66% | 0.655 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.5 | -43.3 | 175.5 | -175.1 | -99.8 | 0 | 0 | 0 | 112.3 | R421 R422 R423 A428 L429 | R421-Y425 PolarHBondContact O-N 3.18Å; R422-Y425 PolarHBondContact O-N 3.18Å; R423-Y425 VanDerWaalsContact C-N 3.35Å; R423-Y425 PolarHBondContact O-N 3.12Å; Y425-A428 PolarHBondContact O-N 3.42Å; Y425-L429 HydrophobicContact CD1-CD1 4.18Å; Y425-L429 HydrophobicContact CE1-CD1 3.63Å; Y425-L429 PolarHBondContact O-N 3.08Å |
| 426 | L | 88.7 | Confident | 80.9 | Confident | 90 Ų | 90 | 107.5 Ų | 107.5 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64 | -45.3 | 176.5 | -70 | 170.9 | 0 | 0 | 0 | 111.9 | R422 R423 A428 L429 E430 | R422-L426 HydrophobicContact CG-CD1 4.2Å; R422-L426 WeakPolarHBondContact O-CG 3.36Å; R422-L426 PolarHBondContact O-N 2.97Å; R423-L426 PolarHBondContact O-N 3.18Å; L426-A428 VanDerWaalsContact C-N 3.3Å; L426-A428 PolarHBondContact O-N 2.9Å; L426-L429 CarbonylContact O-C 3.57Å; L426-L429 WeakPolarHBondContact O-CA 3.24Å; L426-L429 VanDerWaalsContact O-CB 3.27Å; L426-L429 WeakPolarHBondContact O-CB 3.34Å; L426-L429 PolarHBondContact O-N 3.33Å; L426-E430 PolarHBondContact O-N 3.5Å |
| 427 | A | 83.8 | Confident | 79.1 | Confident | 55 Ų | 55 | 107.4 Ų | 107.4 | 46% | 0.455 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.1 | -35.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R423 L429 E430 A431 | R423-A427 WeakPolarHBondContact O-CB 3.33Å; R423-A427 PolarHBondContact O-N 2.79Å; A427-L429 VanDerWaalsContact C-N 3.35Å; A427-E430 PolarHBondContact O-N 3.29Å; A427-A431 VanDerWaalsContact O-CB 3.31Å; A427-A431 WeakPolarHBondContact O-CB 3.26Å; A427-A431 PolarHBondContact O-N 3.33Å |
| 428 | A | 80.9 | Confident | 77 | Confident | 63 Ų | 63 | 107.4 Ų | 107.4 | 52% | 0.521 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.2 | -33.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K424 Y425 L426 A432 | K424-A428 WeakPolarHBondContact O-CB 3.28Å; K424-A428 PolarHBondContact O-N 3.37Å; K424-A428 VanDerWaalsContact O-N 3.13Å; Y425-A428 PolarHBondContact O-N 3.42Å; L426-A428 VanDerWaalsContact C-N 3.3Å; L426-A428 PolarHBondContact O-N 2.9Å; A428-A432 WeakPolarHBondContact O-CB 3.31Å; A428-A432 PolarHBondContact O-N 2.86Å; A428-A432 VanDerWaalsContact O-N 3.07Å |
| 429 | L | 80.8 | Confident | 74.7 | Confident | 93 Ų | 93 | 105.1 Ų | 105.1 | 49% | 0.487 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.6 | -40.9 | 174 | -118.9 | 162.5 | 0 | 0 | 0 | 111.9 | Y425 L426 A427 A432 A433 | Y425-L429 HydrophobicContact CD1-CD1 4.18Å; Y425-L429 HydrophobicContact CE1-CD1 3.63Å; Y425-L429 PolarHBondContact O-N 3.08Å; L426-L429 CarbonylContact O-C 3.57Å; L426-L429 WeakPolarHBondContact O-CA 3.24Å; L426-L429 VanDerWaalsContact O-CB 3.27Å; L426-L429 WeakPolarHBondContact O-CB 3.34Å; L426-L429 PolarHBondContact O-N 3.33Å; A427-L429 VanDerWaalsContact C-N 3.35Å; L429-A432 WeakPolarHBondContact O-CB 3.34Å; L429-A432 PolarHBondContact O-N 3.4Å; L429-A433 PolarHBondContact O-N 3.46Å |
| 430 | E | 78.9 | Confident | 72 | Confident | 136 Ų | 136 | 106 Ų | 106 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71 | -37.2 | 176.8 | -171.3 | 169.2 | -158.8 | 0 | 0 | 112.2 | L426 A427 A432 A433 T434 | L426-E430 PolarHBondContact O-N 3.5Å; A427-E430 PolarHBondContact O-N 3.29Å; E430-A432 VanDerWaalsContact C-N 3.31Å; E430-A432 PolarHBondContact O-N 2.88Å; E430-A433 PolarHBondContact O-N 3.18Å; E430-T434 WeakPolarHBondContact O-CB 3.49Å; E430-T434 WeakPolarHBondContact O-CG2 3.36Å; E430-T434 PolarHBondContact O-N 3.48Å; E430-T434 PolarHBondContact O-OG1 3.34Å |
| 431 | A | 75 | Confident | 69.1 | Low | 58 Ų | 58 | 113.2 Ų | 113.2 | 48% | 0.479 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61.2 | -37.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A427 T434 A435 | A427-A431 VanDerWaalsContact O-CB 3.31Å; A427-A431 WeakPolarHBondContact O-CB 3.26Å; A427-A431 PolarHBondContact O-N 3.33Å; A431-T434 WeakPolarHBondContact CA-OG1 3.5Å; A431-T434 PolarHBondContact O-OG1 3.33Å; A431-A435 WeakPolarHBondContact O-CB 3.37Å; A431-A435 PolarHBondContact O-N 3.31Å |
| 432 | A | 71.2 | Confident | 66.4 | Low | 52 Ų | 52 | 113.4 Ų | 113.4 | 43% | 0.43 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -70.3 | -37 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A428 L429 E430 H436 | A428-A432 WeakPolarHBondContact O-CB 3.31Å; A428-A432 PolarHBondContact O-N 2.86Å; A428-A432 VanDerWaalsContact O-N 3.07Å; L429-A432 WeakPolarHBondContact O-CB 3.34Å; L429-A432 PolarHBondContact O-N 3.4Å; E430-A432 VanDerWaalsContact C-N 3.31Å; E430-A432 PolarHBondContact O-N 2.88Å; A432-H436 PolarHBondContact O-N 3.43Å |
| 433 | A | 65.6 | Low | 63.7 | Low | 56 Ų | 56 | 113.7 Ų | 113.7 | 46% | 0.463 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.1 | -41.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L429 E430 H436 T437 | L429-A433 PolarHBondContact O-N 3.46Å; E430-A433 PolarHBondContact O-N 3.18Å; A433-H436 WeakPolarHBondContact O-CB 3.45Å; A433-H436 PolarHBondContact O-N 3.09Å; A433-H436 VanDerWaalsContact O-N 3.12Å; A433-T437 PolarHBondContact O-N 3.47Å |
| 434 | T | 64.3 | Low | 60.7 | Low | 73 Ų | 73 | 110 Ų | 110 | 45% | 0.448 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -69.6 | -34.4 | 176 | 48.3 | 0 | 0 | 0 | 0 | 112.4 | E430 A431 H436 T437 V438 | E430-T434 WeakPolarHBondContact O-CB 3.49Å; E430-T434 WeakPolarHBondContact O-CG2 3.36Å; E430-T434 PolarHBondContact O-N 3.48Å; E430-T434 PolarHBondContact O-OG1 3.34Å; A431-T434 WeakPolarHBondContact CA-OG1 3.5Å; A431-T434 PolarHBondContact O-OG1 3.33Å; T434-H436 PolarHBondContact O-N 3.08Å; T434-T437 PolarHBondContact O-N 2.97Å; T434-T437 VanDerWaalsContact O-N 3.16Å; T434-T437 PolarHBondContact O-OG1 2.77Å; T434-V438 PolarHBondContact O-N 3.16Å |
| 435 | A | 57.3 | Low | 58.2 | Low | 70 Ų | 70 | 109 Ų | 109 | 58% | 0.579 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -59 | -31.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A431 | A431-A435 WeakPolarHBondContact O-CB 3.37Å; A431-A435 PolarHBondContact O-N 3.31Å |
| 436 | H | 52.2 | Low | 55.8 | Low | 157 Ų | 157 | 108 Ų | 108 | 73% | 0.727 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -73.5 | -34 | 173.8 | -98.7 | -87 | 0 | 0 | 0 | 113.8 | A432 A433 T434 G439 | A432-H436 PolarHBondContact O-N 3.43Å; A433-H436 WeakPolarHBondContact O-CB 3.45Å; A433-H436 PolarHBondContact O-N 3.09Å; A433-H436 VanDerWaalsContact O-N 3.12Å; T434-H436 PolarHBondContact O-N 3.08Å; H436-G439 PolarHBondContact O-N 3.15Å |
| 437 | T | 53 | Low | 53.2 | Low | 99 Ų | 99 | 110.1 Ų | 110.1 | 61% | 0.607 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -74.9 | -30.2 | 179.8 | 56.1 | 0 | 0 | 0 | 0 | 113.2 | A433 T434 G439 V440 | A433-T437 PolarHBondContact O-N 3.47Å; T434-T437 PolarHBondContact O-N 2.97Å; T434-T437 VanDerWaalsContact O-N 3.16Å; T434-T437 PolarHBondContact O-OG1 2.77Å; T437-G439 PolarHBondContact O-N 3.4Å; T437-V440 PolarHBondContact O-N 3.27Å |
| 438 | V | 47.3 | Very low | 51.1 | Low | 125 Ų | 125 | 113.2 Ų | 113.2 | 76% | 0.758 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -16.7 | 175.9 | 178.2 | 0 | 0 | 0 | 0 | 112.7 | T434 V440 | T434-V438 PolarHBondContact O-N 3.16Å; V438-V440 VanDerWaalsContact C-N 3.3Å; V438-V440 PolarHBondContact O-N 2.8Å |
| 439 | G | 41.6 | Very low | 48.8 | Very low | 62 Ų | 62 | 114.6 Ų | 114.6 | 64% | 0.639 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -16.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | H436 T437 K441 | H436-G439 PolarHBondContact O-N 3.15Å; T437-G439 PolarHBondContact O-N 3.4Å; G439-K441 PolarHBondContact O-N 3.41Å |
| 440 | V | 37.2 | Very low | 46.4 | Very low | 123 Ų | 123 | 116.4 Ų | 116.4 | 75% | 0.745 | 69% | 0.692 | S | S | * | * | trans | -90.8 | 62.3 | -167.4 | -165.3 | 0 | 0 | 0 | 0 | 112.8 | T437 V438 | T437-V440 PolarHBondContact O-N 3.27Å; V438-V440 VanDerWaalsContact C-N 3.3Å; V438-V440 PolarHBondContact O-N 2.8Å | ||
| 441 | K | 29.4 | Very low | 44.1 | Very low | 196 Ų | 196 | 117.6 Ų | 117.6 | 85% | 0.852 | 70% | 0.699 | S | S | * | * | trans | -141.9 | 71.6 | 165.5 | -87.6 | -168 | 176.1 | 175.9 | 0 | 112.9 | G439 | G439-K441 PolarHBondContact O-N 3.41Š| ||
| 442 | K | 32.5 | Very low | 42 | Very low | 190 Ų | 190 | 119.8 Ų | 119.8 | 83% | 0.826 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -162.7 | 108.7 | 153.3 | -113.1 | 165.1 | -175.7 | 178 | 0 | 114.4 | ||
| 443 | H | 36.5 | Very low | 40.1 | Very low | 186 Ų | 186 | 124.6 Ų | 124.6 | 86% | 0.861 | 73% | 0.725 | S | S | * | * | trans | 59.8 | 153.6 | 160.2 | -64.9 | -66.7 | 0 | 0 | 0 | 121.3 | ||||
| 444 | S | 28.1 | Very low | 38.3 | Very low | 95 Ų | 95 | 128.6 Ų | 128.6 | 66% | 0.664 | 74% | 0.739 | S | S | * | * | trans | -146.8 | 167.5 | -175.3 | 61.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 445 | N | 32.2 | Very low | 36.8 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | trans | 75.4 | 103.9 | 165.5 | -51 | -6.8 | 0 | 0 | 0 | 118.8 | ||||
| 446 | T | 36.3 | Very low | 35.4 | Very low | 146 Ų | 146 | 135.7 Ų | 135.7 | 90% | 0.896 | 76% | 0.763 | S | S | * | * | -160.8 | 166.7 | 113.5 | 4.1 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 447 | T | 32.4 | Very low | 34.3 | Very low | 135 Ų | 135 | 131.9 Ų | 131.9 | 83% | 0.828 | 77% | 0.766 | S | S | * | * | trans | -137.4 | -154.5 | -160.4 | 49.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 448 | P | 40.4 | Very low | 33.1 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | -134.2 | 168.1 | -93.4 | 42.5 | -25.6 | 0 | 0 | 0 | 117.8 | |||||
| 449 | A | 33.2 | Very low | 32.3 | Very low | 91 Ų | 91 | 138.6 Ų | 138.6 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -171.1 | 141.4 | 154.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 450 | V | 30.6 | Very low | 31.9 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | cis | 85 | 119.8 | 37.5 | 175.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 451 | M | 30.1 | Very low | 31.4 | Very low | 161 Ų | 161 | 138.7 Ų | 138.7 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | cis | -161.4 | 165.5 | 1 | -128.7 | -178.4 | 171.1 | 0 | 0 | 114.6 | ||||
| 452 | T | 31.3 | Very low | 31.4 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 64% | 0.644 | 79% | 0.791 | S | S | * | * | trans | 47.5 | 130.4 | 154 | 51.9 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 453 | N | 30.7 | Very low | 31.1 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | 45.7 | 138.1 | 137.3 | -50.8 | -3.5 | 0 | 0 | 0 | 119.7 | ||||
| 454 | N | 28.5 | Very low | 30.6 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | cis | -169 | 174.9 | 30.9 | -157.6 | -1.4 | 0 | 0 | 0 | 111.7 | ||||
| 455 | I | 33.1 | Very low | 30.6 | Very low | 131 Ų | 131 | 139 Ų | 139 | 67% | 0.672 | 79% | 0.794 | S | S | * | * | trans | 71 | 127.1 | 158 | -66.1 | 156.4 | 0 | 0 | 0 | 119.5 | ||||
| 456 | N | 27.5 | Very low | 30.4 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | 22.3 | 125.5 | 152.8 | -55.7 | -10.1 | 0 | 0 | 0 | 121.5 | ||||
| 457 | G | 29.2 | Very low | 30.1 | Very low | 77 Ų | 77 | 133.9 Ų | 133.9 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | 173.9 | 117.7 | 154.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 458 | N | 27.9 | Very low | 30 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -68 | 137.6 | 162.7 | -78.2 | -30.8 | 0 | 0 | 0 | 110.4 | ||||
| 459 | K | 28.7 | Very low | 29.5 | Very low | 200 Ų | 200 | 136.8 Ų | 136.8 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | -179.3 | 161.7 | 117.5 | -99.8 | 170.6 | -179 | -179.9 | 0 | 113.6 | |||||
| 460 | P | 34.6 | Very low | 29.2 | Very low | 123 Ų | 123 | 142 Ų | 142 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | -97.1 | 173.7 | 178.5 | 39.7 | -35 | 0 | 0 | 0 | 112.7 | ||||
| 461 | G | 26.6 | Very low | 29.2 | Very low | 64 Ų | 64 | 140.3 Ų | 140.3 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | trans | 117.3 | 96.1 | 138.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 462 | F | 29.2 | Very low | 29 | Very low | 206 Ų | 206 | 140.2 Ų | 140.2 | 90% | 0.904 | 78% | 0.779 | S | S | * | * | 63.7 | 158.9 | 128.5 | -92.7 | -84.1 | 0 | 0 | 0 | 123.3 | |||||
| 463 | Q | 25.5 | Very low | 29 | Very low | 174 Ų | 174 | 140.8 Ų | 140.8 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | 73.3 | 149.6 | 164.4 | -73.8 | 178.2 | -27.1 | 0 | 0 | 117.3 | ||||
| 464 | C | 26.9 | Very low | 28.8 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 75% | 0.75 | 79% | 0.786 | S | S | * | * | cis | -145.4 | 175 | 0.9 | -136.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 465 | Q | 27.7 | Very low | 28.8 | Very low | 183 Ų | 183 | 140 Ų | 140 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | -103.7 | 159.6 | 177.5 | -56.9 | 161.5 | -91.1 | 0 | 0 | 111.8 | ||||
| 466 | A | 28.2 | Very low | 28.5 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | 177 | 139.8 | 133.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 467 | G | 30.6 | Very low | 28.4 | Very low | 73 Ų | 73 | 135.3 Ų | 135.3 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | cis | -126.5 | -118.2 | -16.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 468 | E | 30 | Very low | 28.2 | Very low | 166 Ų | 166 | 135.7 Ų | 135.7 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | cis | -171.5 | 166.2 | -34.5 | -120.9 | -161.3 | 178.5 | 0 | 0 | 107.7 | ||||
| 469 | Y | 29.5 | Very low | 28.1 | Very low | 150 Ų | 150 | 132 Ų | 132 | 59% | 0.588 | 79% | 0.793 | S | S | * | * | cis | -151.3 | 140.2 | -0.5 | -168.6 | 36.4 | 0 | 0 | 0 | 110.5 | ||||
| 470 | R | 26.8 | Very low | 28.1 | Very low | 199 Ų | 199 | 125.9 Ų | 125.9 | 75% | 0.751 | 79% | 0.786 | S | S | * | * | trans | 62.6 | 149.8 | 168.2 | -80.9 | 172 | 176.5 | 161 | 1 | 117.7 | ||||
| 471 | S | 29.8 | Very low | 27.8 | Very low | 96 Ų | 96 | 126.6 Ų | 126.6 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | cis | -154.7 | 142.3 | -4 | 46.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 472 | N | 26.1 | Very low | 28 | Very low | 159 Ų | 159 | 130.2 Ų | 130.2 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | 34 | 131.3 | 144.2 | -56.5 | 11.4 | 0 | 0 | 0 | 121.2 | ||||
| 473 | S | 31.7 | Very low | 28.1 | Very low | 118 Ų | 118 | 124 Ų | 124 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | -154.8 | 126.7 | 111.1 | 61.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 474 | N | 27.2 | Very low | 28.4 | Very low | 147 Ų | 147 | 119.2 Ų | 119.2 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | trans | -97.8 | 170.2 | 166 | -120.6 | 45.8 | 0 | 0 | 0 | 109.1 | ||||
| 475 | D | 28.6 | Very low | 28.8 | Very low | 128 Ų | 128 | 124.9 Ų | 124.9 | 68% | 0.684 | 80% | 0.795 | S | S | * | * | trans | 71 | 115.8 | 149 | -83.2 | -70.3 | 0 | 0 | 0 | 122.7 | ||||
| 476 | S | 26.8 | Very low | 29.1 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | 62.7 | 95.4 | 115.3 | -57.3 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 477 | G | 24.8 | Very low | 29.2 | Very low | 85 Ų | 85 | 127.1 Ų | 127.1 | 88% | 0.876 | 78% | 0.783 | S | S | * | * | 93.2 | 167.4 | 124.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 478 | G | 25.1 | Very low | 29.4 | Very low | 86 Ų | 86 | 129.6 Ų | 129.6 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | trans | 88.5 | 116.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 479 | G | 25.8 | Very low | 29.5 | Very low | 88 Ų | 88 | 126.1 Ų | 126.1 | 91% | 0.907 | 78% | 0.783 | S | S | * | * | trans | -98.7 | 173.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 480 | G | 27.7 | Very low | 29.6 | Very low | 71 Ų | 71 | 126.9 Ų | 126.9 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | 169.6 | 95.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 481 | V | 29.4 | Very low | 29.7 | Very low | 138 Ų | 138 | 126.8 Ų | 126.8 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | 41.2 | 141.6 | 140.3 | -139.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 482 | V | 31 | Very low | 29.7 | Very low | 140 Ų | 140 | 128.3 Ų | 128.3 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | 74.3 | 131.7 | 165.7 | -162.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 483 | G | 31 | Very low | 29.9 | Very low | 77 Ų | 77 | 131.3 Ų | 131.3 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | cis | 153.9 | 141.4 | -13.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 484 | G | 32.2 | Very low | 29.6 | Very low | 73 Ų | 73 | 133.2 Ų | 133.2 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | 129.9 | 104.9 | 153.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 485 | R | 34.1 | Very low | 29.6 | Very low | 229 Ų | 229 | 134 Ų | 134 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | 67.9 | 149.3 | 150.8 | -68.1 | 176.1 | 174.8 | 176.9 | -1.9 | 117.2 | ||||
| 486 | R | 34 | Very low | 29.6 | Very low | 198 Ų | 198 | 134.1 Ų | 134.1 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | cis | -156.8 | 144.3 | 11.5 | -132.4 | 170.7 | -170.6 | 162.4 | -1.5 | 110.4 | ||||
| 487 | N | 31.6 | Very low | 29.7 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | trans | 61.6 | 145.8 | 157.6 | -62.6 | 11.4 | 0 | 0 | 0 | 118.4 | ||||
| 488 | T | 33.3 | Very low | 29.8 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | cis | -158.3 | 144.1 | -1.6 | 6.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 489 | A | 32.4 | Very low | 30 | Very low | 94 Ų | 94 | 139.7 Ų | 139.7 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | trans | 50.7 | 145.4 | 158.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 490 | Q | 31.7 | Very low | 30.1 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | cis | -159.6 | 152.8 | -10.1 | -119.6 | -179.7 | -18.1 | 0 | 0 | 108.8 | ||||
| 491 | Y | 29.5 | Very low | 30.3 | Very low | 197 Ų | 197 | 147.9 Ų | 147.9 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | 45.1 | 123.3 | 166.9 | -72.7 | -91.2 | 0 | 0 | 0 | 121.1 | ||||
| 492 | I | 29.9 | Very low | 30.3 | Very low | 127 Ų | 127 | 148 Ų | 148 | 65% | 0.651 | 76% | 0.761 | S | S | * | * | cis | 76.7 | 125.7 | 23.9 | -52.2 | 180 | 0 | 0 | 0 | 113.3 | ||||
| 493 | R | 29.1 | Very low | 30.3 | Very low | 223 Ų | 223 | 144.9 Ų | 144.9 | 84% | 0.842 | 76% | 0.757 | S | S | * | * | cis | -142.9 | 168.8 | 10.7 | -156.9 | 158.3 | -90.7 | 165.6 | -2.6 | 114.6 | ||||
| 494 | I | 27.3 | Very low | 30.5 | Very low | 158 Ų | 158 | 152.1 Ų | 152.1 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | trans | -98.2 | 159.4 | 173.8 | -68.7 | 168.3 | 0 | 0 | 0 | 112.5 | ||||
| 495 | H | 26.3 | Very low | 30.4 | Very low | 164 Ų | 164 | 154.4 Ų | 154.4 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | -35.3 | 131.6 | 171.2 | -101.8 | -94.6 | 0 | 0 | 0 | 120 | ||||
| 496 | N | 28.9 | Very low | 30.1 | Very low | 129 Ų | 129 | 148.4 Ų | 148.4 | 69% | 0.69 | 74% | 0.737 | S | S | * | * | 93.1 | 154.8 | 111.1 | -147.7 | 11.7 | 0 | 0 | 0 | 124.1 | |||||
| 497 | T | 28.6 | Very low | 30 | Very low | 97 Ų | 97 | 148.8 Ų | 148.8 | 60% | 0.595 | 74% | 0.744 | S | S | * | * | trans | 93.2 | 128.2 | 152.8 | 61.7 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 498 | N | 27.1 | Very low | 29.9 | Very low | 142 Ų | 142 | 146.9 Ų | 146.9 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | trans | 77.9 | 152.3 | 147.6 | -61.6 | -23.1 | 0 | 0 | 0 | 118.7 | ||||
| 499 | Q | 29.5 | Very low | 29.5 | Very low | 157 Ų | 157 | 148.3 Ų | 148.3 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | cis | -156.9 | 120.5 | 19.6 | -153 | 168.8 | 42.8 | 0 | 0 | 116.4 | ||||
| 500 | T | 28.7 | Very low | 29.2 | Very low | 122 Ų | 122 | 149.4 Ų | 149.4 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | trans | 65.4 | 171.4 | 147 | 66.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 501 | R | 31.7 | Very low | 29 | Very low | 209 Ų | 209 | 150 Ų | 150 | 79% | 0.789 | 72% | 0.718 | S | S | * | * | cis | -158.6 | 136.1 | 17.4 | -157 | 169.9 | 179.4 | 175.1 | 2.6 | 117.8 | ||||
| 502 | N | 29.2 | Very low | 29.3 | Very low | 141 Ų | 141 | 147 Ų | 147 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | trans | 50.3 | 135 | 146.8 | -65.6 | 9.6 | 0 | 0 | 0 | 126.6 | ||||
| 503 | G | 31.2 | Very low | 29.6 | Very low | 75 Ų | 75 | 145.6 Ų | 145.6 | 77% | 0.773 | 72% | 0.715 | S | S | * | * | trans | 122.6 | 145.6 | 136.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 504 | R | 33.5 | Very low | 29.6 | Very low | 229 Ų | 229 | 144 Ų | 144 | 86% | 0.864 | 71% | 0.71 | S | S | * | * | cis | -168.9 | 158.5 | -1.5 | -101.3 | -168.9 | 135.3 | 166.5 | -3.6 | 108.9 | ||||
| 505 | Q | 31.4 | Very low | 29.6 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 56% | 0.561 | 70% | 0.7 | S | S | * | * | cis | -163.2 | 132.3 | -24.4 | -142.3 | -170.7 | -76.4 | 0 | 0 | 111.4 | ||||
| 506 | N | 27.3 | Very low | 29.7 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 56% | 0.556 | 70% | 0.7 | S | S | * | * | trans | 25.7 | 140.2 | 152.3 | -49.6 | -4.9 | 0 | 0 | 0 | 124.3 | H508 | N506-H508 WeakPolarHBondContact CB-CD2 3.49Å; N506-H508 WeakPolarHBondContact CB-NE2 3.43Å; N506-H508 PolarHBondContact ND2-CE1 2.78Å; N506-H508 PolarHBondContact ND2-NE2 3.21Å | ||
| 507 | K | 32.6 | Very low | 29.7 | Very low | 205 Ų | 205 | 142.7 Ų | 142.7 | 89% | 0.891 | 70% | 0.699 | S | S | * | * | -117.3 | 129.8 | 110.6 | -69.3 | -178.7 | 179.2 | 176.1 | 0 | 106.8 | |||||
| 508 | H | 28.3 | Very low | 29.7 | Very low | 101 Ų | 101 | 145 Ų | 145 | 47% | 0.468 | 70% | 0.703 | S | S | . | * | cis | 65.4 | 133.1 | 45.3 | -65.2 | -62.4 | 0 | 0 | 0 | 112.8 | N506 | N506-H508 WeakPolarHBondContact CB-CD2 3.49Å; N506-H508 WeakPolarHBondContact CB-NE2 3.43Å; N506-H508 PolarHBondContact ND2-CE1 2.78Å; N506-H508 PolarHBondContact ND2-NE2 3.21Å | ||
| 509 | F | 26 | Very low | 29.8 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 68% | 0.68 | 70% | 0.701 | S | S | * | * | cis | -164.6 | 155.3 | 1.1 | -122 | -29.9 | 0 | 0 | 0 | 110.5 | ||||
| 510 | I | 24.9 | Very low | 29.5 | Very low | 117 Ų | 117 | 145.4 Ų | 145.4 | 60% | 0.6 | 71% | 0.705 | S | S | * | * | 53.9 | 151.1 | 125.4 | -113.6 | 167.1 | 0 | 0 | 0 | 120 | |||||
| 511 | F | 27.4 | Very low | 29.8 | Very low | 179 Ų | 179 | 145.3 Ų | 145.3 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | cis | -144.1 | 160.9 | 10.5 | -128.4 | -62.7 | 0 | 0 | 0 | 111.1 | ||||
| 512 | N | 36.7 | Very low | 29.5 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 72% | 0.717 | 70% | 0.701 | S | S | * | * | trans | -92.3 | 144 | 170.5 | -177.5 | 26.6 | 0 | 0 | 0 | 111.2 | ||||
| 513 | P | 36.9 | Very low | 29.4 | Very low | 97 Ų | 97 | 138.1 Ų | 138.1 | 63% | 0.63 | 70% | 0.704 | S | S | * | * | -148.3 | 172.7 | 108.8 | 33.9 | -13.2 | 0 | 0 | 0 | 113.5 | |||||
| 514 | Y | 28.4 | Very low | 29.1 | Very low | 190 Ų | 190 | 142 Ų | 142 | 75% | 0.745 | 70% | 0.704 | S | S | * | * | cis | -157.7 | 142.8 | 37 | -120.6 | -88 | 0 | 0 | 0 | 111.6 | ||||
| 515 | N | 28.2 | Very low | 28.8 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 60% | 0.604 | 70% | 0.698 | S | S | * | * | trans | 42 | 152.8 | 142.2 | -73.5 | -2.4 | 0 | 0 | 0 | 123.6 | ||||
| 516 | R | 27.8 | Very low | 28.5 | Very low | 203 Ų | 203 | 139.1 Ų | 139.1 | 77% | 0.766 | 72% | 0.715 | S | S | * | * | cis | -166.5 | 159.2 | -1.1 | -122.5 | 177.4 | -173.4 | 178.8 | 1.1 | 111.4 | ||||
| 517 | T | 27.7 | Very low | 28.5 | Very low | 107 Ų | 107 | 145.3 Ų | 145.3 | 66% | 0.656 | 73% | 0.731 | S | S | * | * | trans | 57.2 | 145.9 | 148.2 | 54.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 518 | Q | 29 | Very low | 28.3 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | cis | -158.6 | 150.4 | -5.5 | -123 | 162.7 | -68 | 0 | 0 | 112.4 | ||||
| 519 | Q | 28.6 | Very low | 28.3 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 72% | 0.715 | 74% | 0.735 | S | S | * | * | trans | 41.8 | 120 | 143.7 | -71.8 | 160.9 | -29.7 | 0 | 0 | 123 | ||||
| 520 | N | 23.9 | Very low | 28.4 | Very low | 154 Ų | 154 | 139 Ų | 139 | 82% | 0.824 | 74% | 0.735 | S | S | * | * | 32 | 158 | 107.6 | -84.8 | 11.9 | 0 | 0 | 0 | 121.8 | |||||
| 521 | P | 36.2 | Very low | 28.6 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | cis | -142 | 173.2 | -13.6 | 38.7 | -20.4 | 0 | 0 | 0 | 116.6 | ||||
| 522 | G | 24.9 | Very low | 28.7 | Very low | 66 Ų | 66 | 137.8 Ų | 137.8 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | 115 | 134.5 | 124.6 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 523 | V | 26.4 | Very low | 28.2 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 81% | 0.806 | 75% | 0.753 | S | S | * | * | 79.7 | 112.9 | 126.8 | 176.9 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 524 | M | 25.6 | Very low | 27.8 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | 62 | 117.5 | 144.1 | -69.8 | -172 | -176.9 | 0 | 0 | 120.3 | ||||
| 525 | N | 26.1 | Very low | 27.7 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | 81.2 | 129.6 | 85.8 | -67 | -11 | 0 | 0 | 0 | 114.9 | |||||
| 526 | T | 25.8 | Very low | 27.6 | Very low | 148 Ų | 148 | 139 Ų | 139 | 91% | 0.908 | 77% | 0.772 | S | S | * | * | trans | -126.9 | 146.3 | 147 | 51.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 527 | R | 26.2 | Very low | 27.6 | Very low | 234 Ų | 234 | 135 Ų | 135 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | -151.3 | 138.4 | 177.5 | -164.9 | -173.1 | -169.1 | -165.8 | 3.3 | 109.2 | ||||
| 528 | S | 28.6 | Very low | 27.6 | Very low | 84 Ų | 84 | 136.1 Ų | 136.1 | 59% | 0.587 | 77% | 0.772 | S | S | * | * | trans | 55.4 | 110.2 | 161.3 | 50.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 529 | N | 28.1 | Very low | 27.6 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | 101 | 154.3 | 94.6 | -73.9 | 3.8 | 0 | 0 | 0 | 111.5 | |||||
| 530 | A | 28.6 | Very low | 27.6 | Very low | 83 Ų | 83 | 134.4 Ų | 134.4 | 69% | 0.686 | 76% | 0.764 | S | S | * | * | cis | -170.4 | 161.6 | -25.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 531 | V | 30 | Very low | 27.9 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | trans | 75.2 | 112.2 | 150.5 | 164.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 532 | T | 28.3 | Very low | 27.5 | Very low | 143 Ų | 143 | 134 Ų | 134 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | trans | 62.9 | 135.3 | 149.6 | 57 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 533 | G | 27.4 | Very low | 27.6 | Very low | 81 Ų | 81 | 134.5 Ų | 134.5 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | trans | 173.1 | 99.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 534 | N | 27.7 | Very low | 27.7 | Very low | 153 Ų | 153 | 134 Ų | 134 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -54.2 | 143.9 | -170.8 | -95.9 | -32.5 | 0 | 0 | 0 | 120 | ||||
| 535 | R | 26.7 | Very low | 27.9 | Very low | 225 Ų | 225 | 131.4 Ų | 131.4 | 85% | 0.849 | 75% | 0.753 | S | S | * | * | trans | 66.1 | 128.6 | 137.4 | -77.4 | -173.4 | 172.2 | -179.2 | -3.2 | 123.9 | ||||
| 536 | S | 26.1 | Very low | 28.2 | Very low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | 97.5 | 112.5 | 130.8 | -70.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 537 | V | 28 | Very low | 28.4 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | 75.6 | 107.7 | 129 | -179.1 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 538 | N | 27.3 | Very low | 28.7 | Very low | 130 Ų | 130 | 127 Ų | 127 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | trans | 61.5 | 158.4 | 146.3 | -63.2 | 22.3 | 0 | 0 | 0 | 119.4 | ||||
| 539 | H | 29.1 | Very low | 28.7 | Very low | 137 Ų | 137 | 129.4 Ų | 129.4 | 63% | 0.634 | 75% | 0.748 | S | S | * | * | cis | -147.1 | 145.4 | 4.8 | -119.5 | -60.1 | 0 | 0 | 0 | 111.4 | ||||
| 540 | Q | 28.9 | Very low | 28.8 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 58% | 0.584 | 75% | 0.747 | S | S | * | * | trans | 48.5 | 124.7 | 141.5 | -76.8 | 171 | -9.5 | 0 | 0 | 125 | ||||
| 541 | N | 29.1 | Very low | 29 | Very low | 90 Ų | 90 | 138.2 Ų | 138.2 | 48% | 0.481 | 76% | 0.757 | S | S | . | * | 105.6 | 131.2 | 121 | -78.3 | 31.5 | 0 | 0 | 0 | 125.1 | |||||
| 542 | H | 28.2 | Very low | 28.9 | Very low | 176 Ų | 176 | 144 Ų | 144 | 82% | 0.815 | 77% | 0.765 | S | S | * | * | trans | 66.2 | 134.6 | 155 | -55.5 | -49 | 0 | 0 | 0 | 121.6 | ||||
| 543 | G | 27.6 | Very low | 29 | Very low | 76 Ų | 76 | 143.6 Ų | 143.6 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | trans | 165.8 | 45.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 544 | S | 29.2 | Very low | 29.3 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | 32.7 | 112.7 | 155.1 | -66.9 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 545 | S | 29.5 | Very low | 29.3 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | 79.4 | 131.7 | 113.1 | -140.3 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 546 | R | 31 | Very low | 29.5 | Very low | 218 Ų | 218 | 144.1 Ų | 144.1 | 82% | 0.823 | 76% | 0.762 | S | S | * | * | trans | 85.8 | 116.5 | 141.1 | -83.9 | 170.3 | 177 | -172.3 | 0.2 | 124.2 | ||||
| 547 | T | 30.5 | Very low | 29.5 | Very low | 134 Ų | 134 | 150.2 Ų | 150.2 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | 73.1 | 149 | 133.4 | 58.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 548 | A | 32.2 | Very low | 29.7 | Very low | 80 Ų | 80 | 150 Ų | 150 | 66% | 0.661 | 77% | 0.769 | S | S | * | * | cis | -170.9 | 163.4 | -21.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 549 | N | 29.9 | Very low | 29.8 | Very low | 134 Ų | 134 | 150.4 Ų | 150.4 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | trans | 85.5 | 114.5 | 144 | -95.9 | -43.1 | 0 | 0 | 0 | 124.5 | ||||
| 550 | R | 29.4 | Very low | 29.9 | Very low | 222 Ų | 222 | 149.5 Ų | 149.5 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | 66.1 | 122.9 | 131.3 | -78.2 | 168.9 | -178.7 | -160.4 | -2 | 122.4 | ||||
| 551 | K | 32.3 | Very low | 30 | Very low | 207 Ų | 207 | 153 Ų | 153 | 90% | 0.9 | 78% | 0.782 | S | S | * | * | -162.9 | 151.6 | 95.9 | -103 | 164.9 | -175.7 | 172.5 | 0 | 112.9 | |||||
| 552 | R | 28 | Very low | 30.1 | Very low | 247 Ų | 247 | 161.1 Ų | 161.1 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | trans | -93 | 155 | 174.8 | -75.6 | -179.7 | 172.3 | 169.7 | -3.8 | 111.5 | ||||
| 553 | T | 31 | Very low | 30.2 | Very low | 136 Ų | 136 | 154.8 Ų | 154.8 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -138 | 165.8 | 166.6 | 18.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 554 | P | 33.7 | Very low | 30.5 | Very low | 122 Ų | 122 | 154.4 Ų | 154.4 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | trans | -85.8 | 163.7 | -140.3 | 32.3 | -38.2 | 0 | 0 | 0 | 117.2 | ||||
| 555 | S | 27.4 | Very low | 31.1 | Very low | 120 Ų | 120 | 154.8 Ų | 154.8 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | -57.9 | 128.9 | 179 | -179.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 556 | R | 30.9 | Very low | 31.6 | Very low | 228 Ų | 228 | 155.9 Ų | 155.9 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -100.9 | 106.7 | 167.6 | -171.4 | 178 | -172.3 | 179.2 | 2 | 108.6 | V558 | R556-V558 PolarHBondContact O-N 2.76Š| ||
| 557 | R | 26.1 | Very low | 32.2 | Very low | 228 Ų | 228 | 151.7 Ų | 151.7 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | trans | -61.2 | 105 | 178.2 | -168.7 | -175 | -60.2 | -172.3 | 1.4 | 110.1 | I559 | R557-I559 PolarHBondContact O-N 2.63Š| ||
| 558 | V | 31.8 | Very low | 32.8 | Very low | 116 Ų | 116 | 154.2 Ų | 154.2 | 70% | 0.703 | 75% | 0.745 | S | S | * | * | trans | -78.3 | 119.6 | 175.4 | 177.6 | 0 | 0 | 0 | 0 | 108.8 | R556 V560 | R556-V558 PolarHBondContact O-N 2.76Å; V558-V560 HydrophobicContact CG1-CG2 4.25Å; V558-V560 PolarHBondContact O-N 3.36Å | ||
| 559 | I | 30.4 | Very low | 33.7 | Very low | 139 Ų | 139 | 154.4 Ų | 154.4 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | trans | -80.7 | 101.1 | 169.9 | -60.7 | 174.1 | 0 | 0 | 0 | 107 | R557 Y561 | R557-I559 PolarHBondContact O-N 2.63Å; I559-Y561 HydrophobicContact CG2-CE2 4.5Å; I559-Y561 PolarHBondContact O-N 2.96Å | ||
| 560 | V | 31.6 | Very low | 35 | Very low | 118 Ų | 118 | 152.6 Ų | 152.6 | 72% | 0.715 | 72% | 0.723 | S | S | * | * | trans | -73.9 | 112 | 176.2 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | V558 R562 | V558-V560 HydrophobicContact CG1-CG2 4.25Å; V558-V560 PolarHBondContact O-N 3.36Å; V560-R562 PolarHBondContact O-N 3.49Å | ||
| 561 | Y | 30.8 | Very low | 35.9 | Very low | 198 Ų | 198 | 146.3 Ų | 146.3 | 78% | 0.776 | 70% | 0.703 | S | S | * | * | trans | -70.6 | 123.3 | 173.8 | -89.1 | -95.3 | 0 | 0 | 0 | 110.5 | I559 G563 | I559-Y561 HydrophobicContact CG2-CE2 4.5Å; I559-Y561 PolarHBondContact O-N 2.96Å; Y561-G563 VanDerWaalsContact C-N 3.27Å; Y561-G563 PolarHBondContact O-N 3.49Å | ||
| 562 | R | 30.7 | Very low | 36.5 | Very low | 260 Ų | 260 | 140.9 Ų | 140.9 | 98% | 0.981 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 75.6 | 179.8 | -163.6 | -179.6 | -168 | -174.2 | 4.5 | 110.9 | V560 | V560-R562 PolarHBondContact O-N 3.49Š|
| 563 | G | 30.4 | Very low | 37.2 | Very low | 43 Ų | 43 | 135.2 Ų | 135.2 | 44% | 0.443 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -157.7 | -20.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y561 I565 Q567 | Y561-G563 VanDerWaalsContact C-N 3.27Å; Y561-G563 PolarHBondContact O-N 3.49Å; G563-I565 VanDerWaalsContact C-N 3.34Å; G563-I565 PolarHBondContact O-N 3.22Å; G563-Q567 PolarHBondContact O-N 3.11Å |
| 564 | S | 33.4 | Very low | 37.6 | Very low | 69 Ų | 69 | 136.7 Ų | 136.7 | 48% | 0.483 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -70 | -22.2 | -174.8 | 50.4 | 0 | 0 | 0 | 0 | 115.3 | R568 | S564-R568 WeakPolarHBondContact O-CB 3.25Å; S564-R568 PolarHBondContact O-N 3.23Å |
| 565 | I | 42.4 | Very low | 37.7 | Very low | 128 Ų | 128 | 139 Ų | 139 | 66% | 0.656 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71.2 | -50.4 | 178.5 | -67.5 | 172.7 | 0 | 0 | 0 | 110.9 | G563 Q567 R568 I569 | G563-I565 VanDerWaalsContact C-N 3.34Å; G563-I565 PolarHBondContact O-N 3.22Å; I565-Q567 VanDerWaalsContact C-N 3.26Å; I565-Q567 PolarHBondContact O-N 3.47Å; I565-R568 PolarHBondContact O-N 2.85Å; I565-I569 HydrophobicContact CG2-CD1 3.8Å; I565-I569 HydrophobicContact CG2-CG1 4.5Å; I565-I569 WeakPolarHBondContact O-CG1 3.48Å; I565-I569 PolarHBondContact O-N 2.67Å |
| 566 | M | 39.1 | Very low | 38.3 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 63% | 0.626 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62.4 | -37.1 | 176.3 | -175.6 | 63.1 | 88 | 0 | 0 | 111.1 | I569 I570 | M566-I569 PolarHBondContact O-N 2.88Å; M566-I570 HydrophobicContact CG-CD1 3.93Å; M566-I570 WeakPolarHBondContact O-CB 3.31Å; M566-I570 VanDerWaalsContact O-CG1 3.29Å; M566-I570 WeakPolarHBondContact O-CG1 3.35Å; M566-I570 PolarHBondContact O-N 3.44Å; M566-I570 HydrophobicContact SD-CD1 4.32Å |
| 567 | Q | 44.5 | Very low | 38.4 | Very low | 129 Ų | 129 | 138 Ų | 138 | 60% | 0.603 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.9 | -40.6 | 176.9 | -158.6 | 166.6 | 7.4 | 0 | 0 | 111.9 | G563 I565 I570 E571 | G563-Q567 PolarHBondContact O-N 3.11Å; I565-Q567 VanDerWaalsContact C-N 3.26Å; I565-Q567 PolarHBondContact O-N 3.47Å; Q567-I570 PolarHBondContact O-N 2.98Å; Q567-E571 WeakPolarHBondContact O-CB 2.99Å; Q567-E571 PolarHBondContact O-N 3.18Å |
| 568 | R | 42.6 | Very low | 38.5 | Very low | 187 Ų | 187 | 132.2 Ų | 132.2 | 71% | 0.706 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62.8 | -44.8 | 169.8 | -81.9 | -170 | 177 | -170.2 | -2 | 112.6 | S564 I565 I570 E571 E572 | S564-R568 WeakPolarHBondContact O-CB 3.25Å; S564-R568 PolarHBondContact O-N 3.23Å; I565-R568 PolarHBondContact O-N 2.85Å; R568-I570 PolarHBondContact O-N 2.88Å; R568-E571 CarbonylContact O-C 3.55Å; R568-E571 WeakPolarHBondContact O-CA 3.48Å; R568-E571 WeakPolarHBondContact O-CB 3.35Å; R568-E571 PolarHBondContact O-N 3.41Å; R568-E572 WeakPolarHBondContact O-CB 3.31Å; R568-E572 PolarHBondContact O-N 2.93Å |
| 569 | I | 52 | Low | 38.5 | Very low | 85 Ų | 85 | 133.9 Ų | 133.9 | 44% | 0.436 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -60 | -34.9 | 177.3 | -68.6 | 166.9 | 0 | 0 | 0 | 111.3 | I565 M566 K573 | I565-I569 HydrophobicContact CG2-CD1 3.8Å; I565-I569 HydrophobicContact CG2-CG1 4.5Å; I565-I569 WeakPolarHBondContact O-CG1 3.48Å; I565-I569 PolarHBondContact O-N 2.67Å; M566-I569 PolarHBondContact O-N 2.88Å; I569-K573 VanDerWaalsContact O-CB 3.28Å; I569-K573 WeakPolarHBondContact O-CB 3.3Å; I569-K573 WeakPolarHBondContact O-CG 3.38Å; I569-K573 PolarHBondContact O-N 3.36Å |
| 570 | I | 56.6 | Low | 38.6 | Very low | 96 Ų | 96 | 131.9 Ų | 131.9 | 49% | 0.492 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -73.8 | -34.6 | 173.8 | -68.7 | 167.1 | 0 | 0 | 0 | 111.9 | M566 Q567 R568 R574 | M566-I570 HydrophobicContact CG-CD1 3.93Å; M566-I570 WeakPolarHBondContact O-CB 3.31Å; M566-I570 VanDerWaalsContact O-CG1 3.29Å; M566-I570 WeakPolarHBondContact O-CG1 3.35Å; M566-I570 PolarHBondContact O-N 3.44Å; M566-I570 HydrophobicContact SD-CD1 4.32Å; Q567-I570 PolarHBondContact O-N 2.98Å; R568-I570 PolarHBondContact O-N 2.88Å; I570-R574 WeakPolarHBondContact O-CB 3.46Å; I570-R574 PolarHBondContact O-N 3.07Å |
| 571 | E | 48.5 | Very low | 38.6 | Very low | 89 Ų | 89 | 133.6 Ų | 133.6 | 42% | 0.416 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -69.2 | -41.4 | 173.9 | -140.9 | 81.3 | -110.1 | 0 | 0 | 111.6 | Q567 R568 R574 R575 | Q567-E571 WeakPolarHBondContact O-CB 2.99Å; Q567-E571 PolarHBondContact O-N 3.18Å; R568-E571 CarbonylContact O-C 3.55Å; R568-E571 WeakPolarHBondContact O-CA 3.48Å; R568-E571 WeakPolarHBondContact O-CB 3.35Å; R568-E571 PolarHBondContact O-N 3.41Å; E571-R574 WeakPolarHBondContact O-CA 3.41Å; E571-R574 VanDerWaalsContact O-CB 3.28Å; E571-R574 WeakPolarHBondContact O-CB 3.46Å; E571-R574 PolarHBondContact O-N 3.07Å; E571-R574 VanDerWaalsContact O-N 3.15Å; E571-R575 WeakPolarHBondContact O-CG 3.37Å; E571-R575 PolarHBondContact O-N 3.17Å |
| 572 | E | 44.6 | Very low | 38.6 | Very low | 93 Ų | 93 | 126.7 Ų | 126.7 | 44% | 0.435 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66.7 | -46.5 | 174.8 | -124.9 | 62.9 | -108.9 | 0 | 0 | 110.6 | R568 R574 R575 Q576 | R568-E572 WeakPolarHBondContact O-CB 3.31Å; R568-E572 PolarHBondContact O-N 2.93Å; E572-R574 PolarHBondContact O-N 3.15Å; E572-R575 PolarHBondContact O-N 2.88Å; E572-R575 VanDerWaalsContact O-N 3.08Å; E572-Q576 WeakPolarHBondContact O-CB 3.3Å; E572-Q576 WeakPolarHBondContact O-CG 3.22Å; E572-Q576 PolarHBondContact O-N 3.48Å |
| 573 | K | 42.2 | Very low | 39 | Very low | 129 Ų | 129 | 118.3 Ų | 118.3 | 56% | 0.561 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.8 | -13.1 | 171.1 | -74.3 | -165.3 | 173 | -168.1 | 0 | 113.7 | I569 R577 | I569-K573 VanDerWaalsContact O-CB 3.28Å; I569-K573 WeakPolarHBondContact O-CB 3.3Å; I569-K573 WeakPolarHBondContact O-CG 3.38Å; I569-K573 PolarHBondContact O-N 3.36Å; K573-R577 VanDerWaalsContact O-CG 3.3Å; K573-R577 WeakPolarHBondContact O-CG 3.49Å |
| 574 | R | 39.3 | Very low | 39.5 | Very low | 167 Ų | 167 | 122.7 Ų | 122.7 | 63% | 0.63 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -80.2 | -42.8 | 165.6 | -99.3 | -179.8 | 163.9 | -176.9 | -5.4 | 111.7 | I570 E571 E572 R577 | I570-R574 WeakPolarHBondContact O-CB 3.46Å; I570-R574 PolarHBondContact O-N 3.07Å; E571-R574 WeakPolarHBondContact O-CA 3.41Å; E571-R574 VanDerWaalsContact O-CB 3.28Å; E571-R574 WeakPolarHBondContact O-CB 3.46Å; E571-R574 PolarHBondContact O-N 3.07Å; E571-R574 VanDerWaalsContact O-N 3.15Å; E572-R574 PolarHBondContact O-N 3.15Å; R574-R577 WeakPolarHBondContact O-CB 3.46Å; R574-R577 PolarHBondContact O-N 3.42Å; R574-R577 VanDerWaalsContact O-N 3.12Å |
| 575 | R | 37.2 | Very low | 39.7 | Very low | 169 Ų | 169 | 126.2 Ų | 126.2 | 64% | 0.638 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65 | -41.1 | 175.8 | -72.2 | 173.9 | 168.4 | -144.7 | -9.4 | 112.1 | E571 E572 R577 T578 | E571-R575 WeakPolarHBondContact O-CG 3.37Å; E571-R575 PolarHBondContact O-N 3.17Å; E572-R575 PolarHBondContact O-N 2.88Å; E572-R575 VanDerWaalsContact O-N 3.08Å; R575-R577 PolarHBondContact O-N 3.31Å; R575-T578 PolarHBondContact O-N 3.32Å; R575-T578 PolarHBondContact O-OG1 3.36Å; R575-T578 VanDerWaalsContact O-OG1 3.07Å |
| 576 | Q | 38.4 | Very low | 39.7 | Very low | 133 Ų | 133 | 122 Ų | 122 | 62% | 0.621 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -63.7 | -20.2 | 171.5 | -71 | 176.8 | -22.4 | 0 | 0 | 113.4 | E572 T578 | E572-Q576 WeakPolarHBondContact O-CB 3.3Å; E572-Q576 WeakPolarHBondContact O-CG 3.22Å; E572-Q576 PolarHBondContact O-N 3.48Å; Q576-T578 VanDerWaalsContact C-N 3.26Å; Q576-T578 PolarHBondContact O-N 3.47Å |
| 577 | R | 34.6 | Very low | 40.4 | Very low | 194 Ų | 194 | 120.2 Ų | 120.2 | 73% | 0.732 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -82.8 | 2.9 | 170.4 | -75 | 178.5 | -168.7 | -166.2 | 5.5 | 113.5 | K573 R574 R575 | K573-R577 VanDerWaalsContact O-CG 3.3Å; K573-R577 WeakPolarHBondContact O-CG 3.49Å; R574-R577 WeakPolarHBondContact O-CB 3.46Å; R574-R577 PolarHBondContact O-N 3.42Å; R574-R577 VanDerWaalsContact O-N 3.12Å; R575-R577 PolarHBondContact O-N 3.31Å |
| 578 | T | 28.4 | Very low | 40.9 | Very low | 107 Ų | 107 | 117.4 Ų | 117.4 | 66% | 0.656 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -130.7 | 19.1 | 178.5 | 55.8 | 0 | 0 | 0 | 0 | 115 | R575 Q576 | R575-T578 PolarHBondContact O-N 3.32Å; R575-T578 PolarHBondContact O-OG1 3.36Å; R575-T578 VanDerWaalsContact O-OG1 3.07Å; Q576-T578 VanDerWaalsContact C-N 3.26Å; Q576-T578 PolarHBondContact O-N 3.47Å |
| 579 | I | 31.3 | Very low | 41.3 | Very low | 151 Ų | 151 | 113.6 Ų | 113.6 | 77% | 0.774 | 59% | 0.592 | S | S | * | * | trans | -140.1 | 103.8 | 146.5 | -74.7 | 102.7 | 0 | 0 | 0 | 108.1 | ||||
| 580 | S | 31.5 | Very low | 41.6 | Very low | 98 Ų | 98 | 111.4 Ų | 111.4 | 69% | 0.685 | 58% | 0.583 | S | S | * | * | trans | -157.8 | 96.3 | 152.9 | 173.2 | 0 | 0 | 0 | 0 | 106.5 | G582 | S580-G582 PolarHBondContact OG-O 3.15Å; S580-G582 VanDerWaalsContact OG-O 3.11Å | ||
| 581 | V | 31.9 | Very low | 40.7 | Very low | 154 Ų | 154 | 118.6 Ų | 118.6 | 93% | 0.933 | 60% | 0.604 | S | S | * | * | trans | -111.4 | 96 | 165.6 | -179.6 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 582 | G | 31.5 | Very low | 40.5 | Very low | 52 Ų | 52 | 121.1 Ų | 121.1 | 54% | 0.536 | 62% | 0.62 | S | S | . | * | S | Bend | trans | 104.5 | 137 | -167.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S580 | S580-G582 PolarHBondContact OG-O 3.15Å; S580-G582 VanDerWaalsContact OG-O 3.11Å |
| 583 | S | 38.8 | Very low | 40.1 | Very low | 85 Ų | 85 | 123.4 Ų | 123.4 | 59% | 0.594 | 64% | 0.635 | S | S | * | * | cis | -155.4 | 128.5 | -15.8 | 177.3 | 0 | 0 | 0 | 0 | 109.8 | D585 | S583-D585 WeakPolarHBondContact OG-CB 3.43Å; S583-D585 VanDerWaalsContact OG-CG 3.27Å; S583-D585 PolarHBondContact OG-N 2.83Å; S583-D585 PolarHBondContact OG-OD2 3.4Å | ||
| 584 | L | 40.5 | Very low | 40.2 | Very low | 134 Ų | 134 | 123.2 Ų | 123.2 | 70% | 0.702 | 64% | 0.636 | S | S | * | * | trans | -103.9 | 18.8 | 162.1 | -158.6 | 77.1 | 0 | 0 | 0 | 110.2 | G586 | L584-G586 PolarHBondContact O-N 3.41Š| ||
| 585 | D | 37.5 | Very low | 40.5 | Very low | 143 Ų | 143 | 120.1 Ų | 120.1 | 77% | 0.765 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 112.5 | -179 | -55.8 | -69.6 | 0 | 0 | 0 | 108.7 | S583 | S583-D585 WeakPolarHBondContact OG-CB 3.43Å; S583-D585 VanDerWaalsContact OG-CG 3.27Å; S583-D585 PolarHBondContact OG-N 2.83Å; S583-D585 PolarHBondContact OG-OD2 3.4Å |
| 586 | G | 42.6 | Very low | 41.2 | Very low | 39 Ų | 39 | 114.6 Ų | 114.6 | 40% | 0.402 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 85.5 | 37.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L584 A597 A598 | L584-G586 PolarHBondContact O-N 3.41Å; G586-A597 CarbonylContact O-C 3.4Å; G586-A597 VanDerWaalsContact O-CA 3.31Å; G586-A597 WeakPolarHBondContact O-CA 3.31Å; G586-A598 PolarHBondContact O-N 2.92Å |
| 587 | M | 53 | Low | 41.9 | Very low | 91 Ų | 91 | 110 Ų | 110 | 45% | 0.448 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.4 | 139.6 | 152.3 | -61 | -167.8 | 86.1 | 0 | 0 | 110.6 | L595 I596 | M587-L595 HydrophobicContact CE-CB 4.14Å; M587-L595 HydrophobicContact CE-CD2 4.08Å; M587-L595 HydrophobicContact SD-CD2 4.18Å; M587-I596 WeakPolarHBondContact CA-O 3.49Å |
| 588 | V | 54.9 | Low | 42.5 | Very low | 70 Ų | 70 | 101.8 Ų | 101.8 | 42% | 0.424 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.2 | 133.6 | 179.8 | 178.9 | 0 | 0 | 0 | 0 | 108.6 | I596 A598 I601 | V588-I596 PolarHBondContact N-O 3.08Å; V588-I596 PolarHBondContact O-N 2.94Å; V588-A598 HydrophobicContact CG2-CB 4.39Å; V588-I601 HydrophobicContact CB-CD1 4.33Å; V588-I601 HydrophobicContact CG2-CD1 4.26Å |
| 589 | I | 52.2 | Low | 43.3 | Very low | 106 Ų | 106 | 100.8 Ų | 100.8 | 54% | 0.544 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.4 | 125.4 | 172.6 | -53.5 | -178 | 0 | 0 | 0 | 108.1 | E594 L595 | I589-E594 CarbonylContact C-O 3.29Å; I589-E594 WeakPolarHBondContact CA-O 3.5Å; I589-L595 HydrophobicContact CD1-CD1 3.97Å; I589-L595 HydrophobicContact CG1-CD1 3.74Å; I589-L595 HydrophobicContact CG1-CG 4Å |
| 590 | T | 57.4 | Low | 43.7 | Very low | 40 Ų | 40 | 100.3 Ų | 100.3 | 25% | 0.245 | 56% | 0.562 | C | S | . | * | trans | -72.4 | 169 | 176.5 | 66.8 | 0 | 0 | 0 | 0 | 111.5 | D592 N593 E594 I596 | T590-D592 PolarHBondContact O-N 2.97Å; T590-D592 VanDerWaalsContact O-N 3.11Å; T590-D592 PolarHBondContact OG1-N 3.33Å; T590-N593 PolarHBondContact O-N 3.14Å; T590-E594 HydrophobicContact CG2-CB 4.42Å; T590-E594 PolarHBondContact N-O 2.92Å; T590-E594 PolarHBondContact OG1-N 3.3Å; T590-E594 VanDerWaalsContact OG1-N 3.1Å; T590-E594 PolarHBondContact OG1-O 2.8Å; T590-I596 HydrophobicContact CG2-CD1 3.48Å; T590-I596 VanDerWaalsContact CG2-CD1 3.48Å; T590-I596 HydrophobicContact CG2-CG1 3.93Å | ||
| 591 | R | 37.9 | Very low | 44.2 | Very low | 247 Ų | 247 | 99.9 Ų | 99.9 | 93% | 0.932 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -12 | 177.3 | -154.3 | 170.3 | -173.4 | 162.9 | -2.4 | 113.5 | ||
| 592 | D | 43.9 | Very low | 44.5 | Very low | 141 Ų | 141 | 99 Ų | 99 | 75% | 0.754 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | 14.8 | -178.4 | -47.9 | -65.9 | 0 | 0 | 0 | 112.1 | T590 | T590-D592 PolarHBondContact O-N 2.97Å; T590-D592 VanDerWaalsContact O-N 3.11Å; T590-D592 PolarHBondContact OG1-N 3.33Å |
| 593 | N | 38.1 | Very low | 44.6 | Very low | 141 Ų | 141 | 100.9 Ų | 100.9 | 75% | 0.754 | 54% | 0.538 | S | S | * | . | S | Bend | trans | 65.9 | 24 | 179.7 | -69.9 | -22.5 | 0 | 0 | 0 | 116.9 | T590 | T590-N593 PolarHBondContact O-N 3.14Š|
| 594 | E | 42.7 | Very low | 44.3 | Very low | 126 Ų | 126 | 101 Ų | 101 | 59% | 0.589 | 53% | 0.529 | S | S | * | . | trans | -89 | 135.8 | 168.3 | -64.1 | -169.7 | 149.4 | 0 | 0 | 111.6 | I589 T590 I596 | I589-E594 CarbonylContact C-O 3.29Å; I589-E594 WeakPolarHBondContact CA-O 3.5Å; T590-E594 HydrophobicContact CG2-CB 4.42Å; T590-E594 PolarHBondContact N-O 2.92Å; T590-E594 PolarHBondContact OG1-N 3.3Å; T590-E594 VanDerWaalsContact OG1-N 3.1Å; T590-E594 PolarHBondContact OG1-O 2.8Å; E594-I596 HydrophobicContact CB-CG1 4.44Å | ||
| 595 | L | 45.4 | Very low | 43.9 | Very low | 102 Ų | 102 | 97.4 Ų | 97.4 | 53% | 0.534 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 122.2 | 167.6 | -98.8 | 84.1 | 0 | 0 | 0 | 110.3 | M587 I589 | M587-L595 HydrophobicContact CE-CB 4.14Å; M587-L595 HydrophobicContact CE-CD2 4.08Å; M587-L595 HydrophobicContact SD-CD2 4.18Å; I589-L595 HydrophobicContact CD1-CD1 3.97Å; I589-L595 HydrophobicContact CG1-CD1 3.74Å; I589-L595 HydrophobicContact CG1-CG 4Å |
| 596 | I | 52.4 | Low | 43.4 | Very low | 53 Ų | 53 | 99.6 Ų | 99.6 | 27% | 0.272 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 134.6 | 177 | -53 | -176.1 | 0 | 0 | 0 | 110.2 | M587 V588 T590 E594 A598 K600 | M587-I596 WeakPolarHBondContact CA-O 3.49Å; V588-I596 PolarHBondContact N-O 3.08Å; V588-I596 PolarHBondContact O-N 2.94Å; T590-I596 HydrophobicContact CG2-CD1 3.48Å; T590-I596 VanDerWaalsContact CG2-CD1 3.48Å; T590-I596 HydrophobicContact CG2-CG1 3.93Å; E594-I596 HydrophobicContact CB-CG1 4.44Å; I596-A598 PolarHBondContact O-N 3.29Å; I596-K600 HydrophobicContact CG2-CB 4.2Å; I596-K600 HydrophobicContact CG2-CD 4.37Å |
| 597 | A | 52.8 | Low | 42.7 | Very low | 35 Ų | 35 | 101.5 Ų | 101.5 | 29% | 0.289 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 130.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G586 S599 K600 | G586-A597 CarbonylContact O-C 3.4Å; G586-A597 VanDerWaalsContact O-CA 3.31Å; G586-A597 WeakPolarHBondContact O-CA 3.31Å; A597-S599 PolarHBondContact O-N 3.11Å; A597-S599 VanDerWaalsContact O-N 3.16Å; A597-K600 WeakPolarHBondContact O-CB 3.22Å; A597-K600 PolarHBondContact O-N 2.66Å |
| 598 | A | 48.7 | Very low | 41.6 | Very low | 22 Ų | 22 | 103.5 Ų | 103.5 | 18% | 0.182 | 53% | 0.532 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -23.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G586 V588 I596 K600 I601 I602 | G586-A598 PolarHBondContact O-N 2.92Å; V588-A598 HydrophobicContact CG2-CB 4.39Å; I596-A598 PolarHBondContact O-N 3.29Å; A598-K600 PolarHBondContact O-N 3.46Å; A598-I601 WeakPolarHBondContact O-CB 3.47Å; A598-I601 PolarHBondContact O-N 3.44Å; A598-I602 PolarHBondContact O-N 3.06Å |
| 599 | S | 44 | Very low | 40.4 | Very low | 86 Ų | 86 | 106.6 Ų | 106.6 | 60% | 0.601 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -57.3 | -34.9 | 170.7 | 51.7 | 0 | 0 | 0 | 0 | 112.8 | A597 I601 I602 | A597-S599 PolarHBondContact O-N 3.11Å; A597-S599 VanDerWaalsContact O-N 3.16Å; S599-I601 VanDerWaalsContact C-N 3.25Å; S599-I601 PolarHBondContact O-N 3.34Å; S599-I602 PolarHBondContact O-N 3.49Å |
| 600 | K | 39.9 | Very low | 39.7 | Very low | 141 Ų | 141 | 103.6 Ų | 103.6 | 61% | 0.613 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.5 | -21.2 | 173.8 | -100.9 | 176.5 | 177.1 | 173.3 | 0 | 113.6 | I596 A597 A598 Q604 | I596-K600 HydrophobicContact CG2-CB 4.2Å; I596-K600 HydrophobicContact CG2-CD 4.37Å; A597-K600 WeakPolarHBondContact O-CB 3.22Å; A597-K600 PolarHBondContact O-N 2.66Å; A598-K600 PolarHBondContact O-N 3.46Å; K600-Q604 WeakPolarHBondContact O-CB 3.46Å |
| 601 | I | 41.8 | Very low | 38.8 | Very low | 90 Ų | 90 | 104.3 Ų | 104.3 | 46% | 0.462 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -82.3 | -35.1 | 178 | -53.8 | 177.2 | 0 | 0 | 0 | 110.4 | V588 A598 S599 N603 Q604 | V588-I601 HydrophobicContact CB-CD1 4.33Å; V588-I601 HydrophobicContact CG2-CD1 4.26Å; A598-I601 WeakPolarHBondContact O-CB 3.47Å; A598-I601 PolarHBondContact O-N 3.44Å; S599-I601 VanDerWaalsContact C-N 3.25Å; S599-I601 PolarHBondContact O-N 3.34Å; I601-N603 PolarHBondContact O-N 3.16Å; I601-Q604 CarbonylContact O-C 3.36Å; I601-Q604 WeakPolarHBondContact O-CA 3.47Å; I601-Q604 PolarHBondContact O-N 3.38Å |
| 602 | I | 39.3 | Very low | 38.9 | Very low | 134 Ų | 134 | 93.5 Ų | 93.5 | 69% | 0.687 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.8 | -36.4 | -171.8 | -69.8 | 168.8 | 0 | 0 | 0 | 113.1 | A598 S599 Q604 | A598-I602 PolarHBondContact O-N 3.06Å; S599-I602 PolarHBondContact O-N 3.49Å; I602-Q604 VanDerWaalsContact C-N 3.35Å |
| 603 | N | 33.4 | Very low | 38.7 | Very low | 93 Ų | 93 | 89.7 Ų | 89.7 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -82.3 | -11.5 | 169 | -81.9 | -6.6 | 0 | 0 | 0 | 111.9 | I601 E1686 L1687 | I601-N603 PolarHBondContact O-N 3.16Å; N603-E1686 PolarHBondContact ND2-OE1 3.31Å; N603-L1687 HydrophobicContact CB-CB 3.91Å; N603-L1687 HydrophobicContact CB-CD2 3.26Å; N603-L1687 HydrophobicContact CB-CG 3.89Å; N603-L1687 CarbonylContact O-C 3.58Å; N603-L1687 WeakPolarHBondContact O-CB 3.44Å |
| 604 | Q | 31.1 | Very low | 39 | Very low | 88 Ų | 88 | 89.1 Ų | 89.1 | 41% | 0.411 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -93.1 | 43.2 | 173.2 | -82.1 | -141.7 | -17.7 | 0 | 0 | 115.3 | K600 I601 I602 L1687 N1688 | K600-Q604 WeakPolarHBondContact O-CB 3.46Å; I601-Q604 CarbonylContact O-C 3.36Å; I601-Q604 WeakPolarHBondContact O-CA 3.47Å; I601-Q604 PolarHBondContact O-N 3.38Å; I602-Q604 VanDerWaalsContact C-N 3.35Å; Q604-L1687 HydrophobicContact CB-CG 4.33Å; Q604-L1687 HydrophobicContact CG-CB 4.32Å; Q604-L1687 HydrophobicContact CG-CD1 3.33Å; Q604-L1687 HydrophobicContact CG-CD2 4.23Å; Q604-L1687 HydrophobicContact CG-CG 3.34Å; Q604-N1688 HydrophobicContact CB-CB 4.31Å; Q604-N1688 WeakPolarHBondContact CB-ND2 3.31Å; Q604-N1688 HydrophobicContact CG-CB 4.28Å; Q604-N1688 VanDerWaalsContact CG-CG 3.48Å; Q604-N1688 VanDerWaalsContact CG-OD1 3.29Å; Q604-N1688 WeakPolarHBondContact CG-OD1 3.47Å; Q604-N1688 PolarHBondContact NE2-OD1 2.9Å; Q604-N1688 PolarHBondContact O-ND2 3.14Å |
| 605 | D | 32.3 | Very low | 38.9 | Very low | 57 Ų | 57 | 89 Ų | 89 | 31% | 0.305 | 48% | 0.484 | S | S | . | . | trans | 168 | 120.7 | 138.9 | -94.1 | -4 | 0 | 0 | 0 | 114.8 | S607 N1688 T1689 P1690 | D605-S607 PolarHBondContact O-N 3.05Å; D605-S607 VanDerWaalsContact O-N 3.14Å; D605-N1688 WeakPolarHBondContact OD1-CB 3.3Å; D605-N1688 PolarHBondContact OD1-ND2 3.19Å; D605-T1689 HydrophobicContact CB-CG2 4.19Å; D605-T1689 WeakPolarHBondContact OD1-CG2 3.46Å; D605-P1690 WeakPolarHBondContact OD1-CD 3.17Å | ||
| 606 | K | 27.8 | Very low | 38.6 | Very low | 190 Ų | 190 | 90.1 Ų | 90.1 | 83% | 0.826 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | 85.5 | 158.7 | -75.2 | -178.7 | 175.7 | 174.7 | 0 | 111.3 | T1689 | K606-T1689 HydrophobicContact CB-CG2 3.99Š|
| 607 | S | 27.5 | Very low | 38.3 | Very low | 78 Ų | 78 | 92.5 Ų | 92.5 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -177 | -6 | 148.5 | 44.5 | 0 | 0 | 0 | 0 | 117.8 | D605 | D605-S607 PolarHBondContact O-N 3.05Å; D605-S607 VanDerWaalsContact O-N 3.14Å |
| 608 | L | 29.9 | Very low | 37.7 | Very low | 134 Ų | 134 | 93.9 Ų | 93.9 | 70% | 0.702 | 50% | 0.5 | S | S | * | . | trans | -114.4 | 64.6 | -165.7 | -92.8 | 150.8 | 0 | 0 | 0 | 116.3 | ||||
| 609 | C | 30.4 | Very low | 37.8 | Very low | 134 Ų | 134 | 96 Ų | 96 | 91% | 0.905 | 51% | 0.509 | S | S | * | . | trans | -125.8 | 68.5 | 165.8 | -75.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 610 | D | 37.8 | Very low | 38.1 | Very low | 44 Ų | 44 | 96 Ų | 96 | 24% | 0.235 | 50% | 0.502 | C | S | . | . | trans | -109.9 | 117.8 | 162.3 | 177.7 | 34.9 | 0 | 0 | 0 | 109.7 | T117 T612 T613 | T117-D610 PolarHBondContact OG1-OD1 2.99Å; D610-T612 PolarHBondContact O-N 3.26Å; D610-T612 WeakPolarHBondContact OD2-CB 3.1Å; D610-T612 VanDerWaalsContact OD2-CG2 3.31Å; D610-T612 WeakPolarHBondContact OD2-CG2 3.36Å; D610-T612 PolarHBondContact OD2-OG1 3.21Å; D610-T613 PolarHBondContact O-N 3.21Å; D610-T613 VanDerWaalsContact O-N 3.08Å | ||
| 611 | P | 37.6 | Very low | 38.3 | Very low | 55 Ų | 55 | 92.9 Ų | 92.9 | 36% | 0.357 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.2 | -13.6 | -174.8 | 20.7 | -30.7 | 0 | 0 | 0 | 114.7 | T117 N118 T613 I614 Q615 | T117-P611 HydrophobicContact CG2-CG 4.21Å; N118-P611 WeakPolarHBondContact OD1-CG 3.2Å; P611-T613 PolarHBondContact O-N 3.39Å; P611-I614 PolarHBondContact O-N 2.97Å; P611-Q615 PolarHBondContact O-N 2.96Å |
| 612 | T | 39.2 | Very low | 38.5 | Very low | 19 Ų | 19 | 91.5 Ų | 91.5 | 12% | 0.117 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -56.7 | -32.9 | 170.7 | 71.6 | 0 | 0 | 0 | 0 | 112.5 | T117 D610 R616 | T117-T612 HydrophobicContact CG2-CG2 3.4Å; T117-T612 VanDerWaalsContact OG1-CG2 3.23Å; T117-T612 WeakPolarHBondContact OG1-CG2 2.98Å; D610-T612 PolarHBondContact O-N 3.26Å; D610-T612 WeakPolarHBondContact OD2-CB 3.1Å; D610-T612 VanDerWaalsContact OD2-CG2 3.31Å; D610-T612 WeakPolarHBondContact OD2-CG2 3.36Å; D610-T612 PolarHBondContact OD2-OG1 3.21Å; T612-R616 VanDerWaalsContact O-CB 3.31Å; T612-R616 WeakPolarHBondContact O-CB 3.31Å; T612-R616 WeakPolarHBondContact O-CD 3Å; T612-R616 WeakPolarHBondContact O-CG 3.43Å; T612-R616 PolarHBondContact O-N 2.83Å |
| 613 | T | 40.3 | Very low | 38.6 | Very low | 61 Ų | 61 | 91.3 Ų | 91.3 | 37% | 0.374 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -75.4 | -40.3 | -177.1 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | D610 P611 R616 I617 | D610-T613 PolarHBondContact O-N 3.21Å; D610-T613 VanDerWaalsContact O-N 3.08Å; P611-T613 PolarHBondContact O-N 3.39Å; T613-R616 PolarHBondContact O-N 3.34Å; T613-I617 HydrophobicContact CG2-CD1 4.09Å; T613-I617 WeakPolarHBondContact O-CB 3.46Å; T613-I617 VanDerWaalsContact O-CG1 3.26Å; T613-I617 WeakPolarHBondContact O-CG1 3.38Å; T613-I617 PolarHBondContact O-N 3.37Å |
| 614 | I | 43.9 | Very low | 39 | Very low | 129 Ų | 129 | 94.6 Ų | 94.6 | 66% | 0.662 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.2 | -44.3 | 174.4 | -61.1 | 175.6 | 0 | 0 | 0 | 109.8 | P611 I617 S618 | P611-I614 PolarHBondContact O-N 2.97Å; I614-I617 PolarHBondContact O-N 3.39Å; I614-S618 PolarHBondContact O-N 2.84Å |
| 615 | Q | 40.8 | Very low | 39.6 | Very low | 124 Ų | 124 | 95.5 Ų | 95.5 | 58% | 0.579 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.3 | -43.5 | 177.1 | -164.8 | 166.8 | 6.4 | 0 | 0 | 111.7 | P611 I617 S618 D619 | P611-Q615 PolarHBondContact O-N 2.96Å; Q615-I617 VanDerWaalsContact C-N 3.32Å; Q615-I617 PolarHBondContact O-N 3.36Å; Q615-S618 CarbonylContact O-C 3.58Å; Q615-S618 WeakPolarHBondContact O-CB 3.36Å; Q615-S618 PolarHBondContact O-N 2.95Å; Q615-D619 WeakPolarHBondContact O-CB 3.25Å; Q615-D619 PolarHBondContact O-N 3.16Å |
| 616 | R | 40.2 | Very low | 39.9 | Very low | 125 Ų | 125 | 97.9 Ų | 97.9 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.3 | -33.2 | 173.9 | -75.4 | 167.2 | -178.7 | 160.2 | 1 | 113.7 | T612 T613 N620 | T612-R616 VanDerWaalsContact O-CB 3.31Å; T612-R616 WeakPolarHBondContact O-CB 3.31Å; T612-R616 WeakPolarHBondContact O-CD 3Å; T612-R616 WeakPolarHBondContact O-CG 3.43Å; T612-R616 PolarHBondContact O-N 2.83Å; T613-R616 PolarHBondContact O-N 3.34Å; R616-N620 WeakPolarHBondContact O-CB 3.22Å; R616-N620 PolarHBondContact O-N 3.27Å; R616-N620 PolarHBondContact O-ND2 2.76Å |
| 617 | I | 44.7 | Very low | 40.5 | Very low | 103 Ų | 103 | 90.9 Ų | 90.9 | 53% | 0.528 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.4 | -45.5 | 173.6 | -71 | 165.1 | 0 | 0 | 0 | 109.7 | T613 I614 Q615 N620 V621 | T613-I617 HydrophobicContact CG2-CD1 4.09Å; T613-I617 WeakPolarHBondContact O-CB 3.46Å; T613-I617 VanDerWaalsContact O-CG1 3.26Å; T613-I617 WeakPolarHBondContact O-CG1 3.38Å; T613-I617 PolarHBondContact O-N 3.37Å; I614-I617 PolarHBondContact O-N 3.39Å; Q615-I617 VanDerWaalsContact C-N 3.32Å; Q615-I617 PolarHBondContact O-N 3.36Å; I617-N620 PolarHBondContact O-N 3.09Å; I617-V621 HydrophobicContact CG2-CG2 4.41Å; I617-V621 WeakPolarHBondContact O-CB 3.33Å; I617-V621 WeakPolarHBondContact O-CG2 3.47Å; I617-V621 PolarHBondContact O-N 2.96Å |
| 618 | S | 40.6 | Very low | 40.8 | Very low | 64 Ų | 64 | 95 Ų | 95 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -54.3 | -53.6 | 171.2 | -173.8 | 0 | 0 | 0 | 0 | 110.8 | I614 Q615 N620 V621 T622 | I614-S618 PolarHBondContact O-N 2.84Å; Q615-S618 CarbonylContact O-C 3.58Å; Q615-S618 WeakPolarHBondContact O-CB 3.36Å; Q615-S618 PolarHBondContact O-N 2.95Å; S618-N620 VanDerWaalsContact C-N 3.27Å; S618-N620 PolarHBondContact O-N 3.07Å; S618-V621 PolarHBondContact O-N 3.46Å; S618-V621 VanDerWaalsContact O-N 3.1Å; S618-T622 WeakPolarHBondContact O-CB 3.4Å; S618-T622 PolarHBondContact O-N 3.06Å; S618-T622 PolarHBondContact O-OG1 3.49Å; S618-T622 VanDerWaalsContact O-OG1 3.07Å |
| 619 | D | 51.9 | Low | 41 | Very low | 67 Ų | 67 | 94 Ų | 94 | 36% | 0.358 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.6 | -29.7 | -179.4 | -60.3 | -22.2 | 0 | 0 | 0 | 112.9 | Q615 R623 | Q615-D619 WeakPolarHBondContact O-CB 3.25Å; Q615-D619 PolarHBondContact O-N 3.16Å; D619-R623 WeakPolarHBondContact O-CB 3.37Å; D619-R623 VanDerWaalsContact O-CG 3.31Å; D619-R623 WeakPolarHBondContact O-CG 3.28Å; D619-R623 PolarHBondContact O-N 2.94Å; D619-R623 PolarHBondContact O-NE 3.33Å; D619-R623 PolarHBondContact O-NH2 3.27Å |
| 620 | N | 50.4 | Low | 41.3 | Very low | 85 Ų | 85 | 91 Ų | 91 | 46% | 0.455 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -80.7 | -29.1 | 175.1 | -78.6 | -21.2 | 0 | 0 | 0 | 112.6 | R616 I617 S618 R623 K624 | R616-N620 WeakPolarHBondContact O-CB 3.22Å; R616-N620 PolarHBondContact O-N 3.27Å; R616-N620 PolarHBondContact O-ND2 2.76Å; I617-N620 PolarHBondContact O-N 3.09Å; S618-N620 VanDerWaalsContact C-N 3.27Å; S618-N620 PolarHBondContact O-N 3.07Å; N620-R623 VanDerWaalsContact OD1-CZ 3.25Å; N620-R623 PolarHBondContact OD1-NH1 2.92Å; N620-R623 VanDerWaalsContact OD1-NH1 3.11Å; N620-R623 PolarHBondContact OD1-NH2 3.14Å; N620-K624 WeakPolarHBondContact O-CB 3.27Å; N620-K624 PolarHBondContact O-N 2.95Å |
| 621 | V | 42.3 | Very low | 41 | Very low | 77 Ų | 77 | 95.6 Ų | 95.6 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -75.6 | -47 | 172.6 | 169.5 | 0 | 0 | 0 | 0 | 109.7 | I617 S618 K624 I625 | I617-V621 HydrophobicContact CG2-CG2 4.41Å; I617-V621 WeakPolarHBondContact O-CB 3.33Å; I617-V621 WeakPolarHBondContact O-CG2 3.47Å; I617-V621 PolarHBondContact O-N 2.96Å; S618-V621 PolarHBondContact O-N 3.46Å; S618-V621 VanDerWaalsContact O-N 3.1Å; V621-K624 CarbonylContact O-C 3.48Å; V621-K624 WeakPolarHBondContact O-CA 3.45Å; V621-K624 PolarHBondContact O-N 3.37Å; V621-I625 HydrophobicContact CG1-CD1 3.88Å; V621-I625 WeakPolarHBondContact O-CG1 3.18Å; V621-I625 PolarHBondContact O-N 3.28Å |
| 622 | T | 46 | Very low | 40.7 | Very low | 60 Ų | 60 | 98.6 Ų | 98.6 | 37% | 0.368 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -55.6 | -51.2 | 170 | -58.1 | 0 | 0 | 0 | 0 | 110.1 | S618 K624 I625 E626 | S618-T622 WeakPolarHBondContact O-CB 3.4Å; S618-T622 PolarHBondContact O-N 3.06Å; S618-T622 PolarHBondContact O-OG1 3.49Å; S618-T622 VanDerWaalsContact O-OG1 3.07Å; T622-K624 PolarHBondContact O-N 2.9Å; T622-I625 CarbonylContact O-C 3.57Å; T622-I625 PolarHBondContact O-N 3.43Å; T622-E626 HydrophobicContact CG2-CG 4.2Å; T622-E626 WeakPolarHBondContact O-CB 3.13Å; T622-E626 WeakPolarHBondContact O-CG 3.21Å; T622-E626 PolarHBondContact O-N 3.29Å |
| 623 | R | 41.8 | Very low | 40.1 | Very low | 131 Ų | 131 | 103.4 Ų | 103.4 | 49% | 0.494 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.5 | -20.8 | 174.3 | -78.5 | 178 | -77.3 | 119.7 | 5.3 | 114.6 | D619 N620 A627 | D619-R623 WeakPolarHBondContact O-CB 3.37Å; D619-R623 VanDerWaalsContact O-CG 3.31Å; D619-R623 WeakPolarHBondContact O-CG 3.28Å; D619-R623 PolarHBondContact O-N 2.94Å; D619-R623 PolarHBondContact O-NE 3.33Å; D619-R623 PolarHBondContact O-NH2 3.27Å; N620-R623 VanDerWaalsContact OD1-CZ 3.25Å; N620-R623 PolarHBondContact OD1-NH1 2.92Å; N620-R623 VanDerWaalsContact OD1-NH1 3.11Å; N620-R623 PolarHBondContact OD1-NH2 3.14Å; R623-A627 WeakPolarHBondContact O-CB 3.37Å; R623-A627 PolarHBondContact O-N 2.85Å |
| 624 | K | 41.4 | Very low | 39.5 | Very low | 161 Ų | 161 | 105.1 Ų | 105.1 | 70% | 0.7 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -80.6 | -32.3 | 170.1 | -101.3 | -173.4 | 172.1 | -177.5 | 0 | 113.3 | N620 V621 T622 K628 | N620-K624 WeakPolarHBondContact O-CB 3.27Å; N620-K624 PolarHBondContact O-N 2.95Å; V621-K624 CarbonylContact O-C 3.48Å; V621-K624 WeakPolarHBondContact O-CA 3.45Å; V621-K624 PolarHBondContact O-N 3.37Å; T622-K624 PolarHBondContact O-N 2.9Å; K624-K628 WeakPolarHBondContact O-CB 3.46Å; K624-K628 PolarHBondContact O-N 3.18Å |
| 625 | I | 45.3 | Very low | 38.9 | Very low | 108 Ų | 108 | 104.8 Ų | 104.8 | 55% | 0.554 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -71.8 | -49.1 | 173.3 | -68.4 | 166.6 | 0 | 0 | 0 | 108.7 | V621 T622 A627 K628 L629 | V621-I625 HydrophobicContact CG1-CD1 3.88Å; V621-I625 WeakPolarHBondContact O-CG1 3.18Å; V621-I625 PolarHBondContact O-N 3.28Å; T622-I625 CarbonylContact O-C 3.57Å; T622-I625 PolarHBondContact O-N 3.43Å; I625-A627 PolarHBondContact O-N 3.03Å; I625-K628 PolarHBondContact O-N 3.34Å; I625-L629 VanDerWaalsContact O-CB 3.3Å; I625-L629 WeakPolarHBondContact O-CB 3.43Å; I625-L629 PolarHBondContact O-N 3.29Å |
| 626 | E | 38.4 | Very low | 38.1 | Very low | 106 Ų | 106 | 108.6 Ų | 108.6 | 50% | 0.495 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -58.3 | -45 | 172 | -68.6 | 172.8 | 152.1 | 0 | 0 | 111.6 | T622 K628 L629 S630 | T622-E626 HydrophobicContact CG2-CG 4.2Å; T622-E626 WeakPolarHBondContact O-CB 3.13Å; T622-E626 WeakPolarHBondContact O-CG 3.21Å; T622-E626 PolarHBondContact O-N 3.29Å; E626-K628 VanDerWaalsContact C-N 3.32Å; E626-K628 PolarHBondContact O-N 3.28Å; E626-L629 CarbonylContact O-C 3.56Å; E626-L629 PolarHBondContact O-N 3.49Å; E626-L629 VanDerWaalsContact O-N 3.15Å; E626-S630 VanDerWaalsContact O-CB 3.31Å; E626-S630 WeakPolarHBondContact O-CB 3.32Å; E626-S630 PolarHBondContact O-N 3.43Å; E626-S630 PolarHBondContact O-OG 3.2Å; E626-S630 VanDerWaalsContact O-OG 3.12Å |
| 627 | A | 39.4 | Very low | 37.4 | Very low | 43 Ų | 43 | 110.7 Ų | 110.7 | 36% | 0.355 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.9 | -29.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R623 I625 S630 N631 | R623-A627 WeakPolarHBondContact O-CB 3.37Å; R623-A627 PolarHBondContact O-N 2.85Å; I625-A627 PolarHBondContact O-N 3.03Å; A627-S630 WeakPolarHBondContact CA-OG 3.39Å; A627-S630 PolarHBondContact O-OG 3.47Å; A627-N631 WeakPolarHBondContact O-CB 3.48Å; A627-N631 PolarHBondContact O-N 3.19Å; A627-N631 PolarHBondContact O-ND2 3.34Å; A627-N631 PolarHBondContact O-OD1 3.45Å |
| 628 | K | 35.2 | Very low | 36.5 | Very low | 165 Ų | 165 | 111.3 Ų | 111.3 | 72% | 0.717 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -74.2 | -37.3 | 169.5 | -81.7 | -164.1 | 167.5 | -159.5 | 0 | 111.7 | K624 I625 E626 T632 | K624-K628 WeakPolarHBondContact O-CB 3.46Å; K624-K628 PolarHBondContact O-N 3.18Å; I625-K628 PolarHBondContact O-N 3.34Å; E626-K628 VanDerWaalsContact C-N 3.32Å; E626-K628 PolarHBondContact O-N 3.28Å; K628-T632 PolarHBondContact O-N 3.16Å; K628-T632 PolarHBondContact O-OG1 2.83Å |
| 629 | L | 34.2 | Very low | 36.1 | Very low | 113 Ų | 113 | 115.7 Ų | 115.7 | 59% | 0.592 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -72.6 | -37.1 | -179.6 | -161.8 | 66.1 | 0 | 0 | 0 | 111.7 | I625 E626 T632 | I625-L629 VanDerWaalsContact O-CB 3.3Å; I625-L629 WeakPolarHBondContact O-CB 3.43Å; I625-L629 PolarHBondContact O-N 3.29Å; E626-L629 CarbonylContact O-C 3.56Å; E626-L629 PolarHBondContact O-N 3.49Å; E626-L629 VanDerWaalsContact O-N 3.15Å; L629-T632 PolarHBondContact O-N 2.96Å |
| 630 | S | 35 | Very low | 35.1 | Very low | 71 Ų | 71 | 118.9 Ų | 118.9 | 50% | 0.497 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -73.3 | -34 | 175.1 | 69.2 | 0 | 0 | 0 | 0 | 112.8 | E626 A627 T632 I633 | E626-S630 VanDerWaalsContact O-CB 3.31Å; E626-S630 WeakPolarHBondContact O-CB 3.32Å; E626-S630 PolarHBondContact O-N 3.43Å; E626-S630 PolarHBondContact O-OG 3.2Å; E626-S630 VanDerWaalsContact O-OG 3.12Å; A627-S630 WeakPolarHBondContact CA-OG 3.39Å; A627-S630 PolarHBondContact O-OG 3.47Å; S630-T632 PolarHBondContact O-N 3.33Å; S630-I633 PolarHBondContact O-N 3.4Å |
| 631 | N | 32.4 | Very low | 33.9 | Very low | 140 Ų | 140 | 123 Ų | 123 | 75% | 0.749 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -3.1 | 175.3 | -68.6 | 3.3 | 0 | 0 | 0 | 112.9 | A627 | A627-N631 WeakPolarHBondContact O-CB 3.48Å; A627-N631 PolarHBondContact O-N 3.19Å; A627-N631 PolarHBondContact O-ND2 3.34Å; A627-N631 PolarHBondContact O-OD1 3.45Å |
| 632 | T | 30.9 | Very low | 33.2 | Very low | 118 Ų | 118 | 122.6 Ų | 122.6 | 72% | 0.724 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | -3.8 | 175.4 | -46.2 | 0 | 0 | 0 | 0 | 112.3 | K628 L629 S630 | K628-T632 PolarHBondContact O-N 3.16Å; K628-T632 PolarHBondContact O-OG1 2.83Å; L629-T632 PolarHBondContact O-N 2.96Å; S630-T632 PolarHBondContact O-N 3.33Å |
| 633 | I | 27.6 | Very low | 32.4 | Very low | 121 Ų | 121 | 126.2 Ų | 126.2 | 62% | 0.621 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -133.3 | 122.5 | -176.5 | -57.6 | 179.8 | 0 | 0 | 0 | 111 | S630 | S630-I633 PolarHBondContact O-N 3.4Š|
| 634 | A | 27.5 | Very low | 31.5 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 79% | 0.793 | 71% | 0.714 | S | S | * | * | trans | 88.8 | 136.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 635 | P | 31.2 | Very low | 30.8 | Very low | 122 Ų | 122 | 125 Ų | 125 | 79% | 0.792 | 71% | 0.71 | S | S | * | * | trans | -114 | -169 | -161.6 | 44.3 | -35.2 | 0 | 0 | 0 | 114.1 | L637 | P635-L637 PolarHBondContact O-N 3.14Š| ||
| 636 | K | 23.9 | Very low | 29.8 | Very low | 205 Ų | 205 | 126.2 Ų | 126.2 | 89% | 0.891 | 72% | 0.718 | S | S | * | * | trans | -46.9 | 105.5 | 166.7 | -68.5 | 174.8 | 178.4 | 170.4 | 0 | 112.8 | ||||
| 637 | L | 25.5 | Very low | 29.3 | Very low | 169 Ų | 169 | 126.9 Ų | 126.9 | 89% | 0.885 | 73% | 0.725 | S | S | * | * | trans | -155.5 | 100.3 | 151.4 | -152.3 | 74.6 | 0 | 0 | 0 | 111.5 | P635 | P635-L637 PolarHBondContact O-N 3.14Š| ||
| 638 | S | 25.3 | Very low | 28.8 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | -144.1 | 65.7 | 179.7 | 59.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 639 | I | 32.2 | Very low | 28.5 | Very low | 156 Ų | 156 | 128.2 Ų | 128.2 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | trans | -132.1 | 124.4 | 172 | -69.1 | -174.4 | 0 | 0 | 0 | 109.5 | ||||
| 640 | V | 30.3 | Very low | 28.3 | Very low | 134 Ų | 134 | 129.7 Ų | 129.7 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | trans | 67.5 | 108.9 | 170.7 | 177.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 641 | N | 25.5 | Very low | 28 | Very low | 173 Ų | 173 | 130.9 Ų | 130.9 | 93% | 0.925 | 76% | 0.757 | S | S | * | * | trans | -80.5 | 146.7 | 154.8 | -81.1 | -46.5 | 0 | 0 | 0 | 110.4 | ||||
| 642 | G | 29.2 | Very low | 27.7 | Very low | 67 Ų | 67 | 127.8 Ų | 127.8 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | trans | -164.5 | 55 | -173 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 643 | V | 27.6 | Very low | 27.4 | Very low | 136 Ų | 136 | 129.3 Ų | 129.3 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | 57.1 | 89.1 | 152.1 | -167.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 644 | N | 24.3 | Very low | 27.5 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | 65.8 | 157.9 | 114.8 | -155.5 | 14.8 | 0 | 0 | 0 | 123.2 | |||||
| 645 | I | 26.2 | Very low | 27.6 | Very low | 120 Ų | 120 | 131 Ų | 131 | 62% | 0.615 | 77% | 0.773 | S | S | * | * | trans | 93.5 | 101.2 | 156.7 | -52 | -173.3 | 0 | 0 | 0 | 120.4 | ||||
| 646 | N | 24.7 | Very low | 27.6 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | 58.4 | 163.8 | 138.3 | -64.2 | -8 | 0 | 0 | 0 | 122 | ||||
| 647 | N | 27.3 | Very low | 27.9 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | cis | -160.1 | 161.4 | -31.1 | -109.8 | -31.1 | 0 | 0 | 0 | 111.4 | ||||
| 648 | N | 27.9 | Very low | 28.1 | Very low | 117 Ų | 117 | 123.9 Ų | 123.9 | 63% | 0.626 | 76% | 0.758 | S | S | * | * | trans | -0.5 | 157 | 151.5 | -49 | -33.2 | 0 | 0 | 0 | 121.5 | ||||
| 649 | N | 29.3 | Very low | 28.3 | Very low | 120 Ų | 120 | 122.3 Ų | 122.3 | 64% | 0.642 | 76% | 0.76 | S | S | * | * | 177.1 | 158.6 | 106.7 | -89.4 | -37.9 | 0 | 0 | 0 | 116.1 | S666 | N649-S666 VanDerWaalsContact O-CB 3.22Å; N649-S666 WeakPolarHBondContact O-CB 3.48Å; N649-S666 PolarHBondContact O-OG 3Å; N649-S666 VanDerWaalsContact O-OG 3.08Å | |||
| 650 | N | 29.5 | Very low | 28.2 | Very low | 143 Ų | 143 | 118.7 Ų | 118.7 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | trans | 173.5 | 140.6 | 134.5 | -94.6 | -14.3 | 0 | 0 | 0 | 110 | ||||
| 651 | A | 29 | Very low | 28.2 | Very low | 96 Ų | 96 | 118.9 Ų | 118.9 | 79% | 0.793 | 76% | 0.763 | S | S | * | * | cis | -164.1 | 150.9 | -24.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 652 | G | 27.7 | Very low | 28.2 | Very low | 76 Ų | 76 | 116 Ų | 116 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | trans | -173.2 | 9.8 | -174 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 653 | V | 24.4 | Very low | 27.9 | Very low | 150 Ų | 150 | 117.6 Ų | 117.6 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | trans | -137.2 | 161.8 | 170.4 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 654 | V | 28.4 | Very low | 27.9 | Very low | 123 Ų | 123 | 119.7 Ų | 119.7 | 75% | 0.745 | 77% | 0.769 | S | S | * | * | trans | -122.4 | 135.5 | -152.4 | 172.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 655 | V | 30.1 | Very low | 28 | Very low | 130 Ų | 130 | 115.9 Ų | 115.9 | 79% | 0.788 | 76% | 0.764 | S | S | * | * | trans | 70.9 | 140.5 | 157.4 | 153.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 656 | P | 31.1 | Very low | 28 | Very low | 102 Ų | 102 | 113.2 Ų | 113.2 | 66% | 0.662 | 76% | 0.756 | S | S | * | * | cis | -142.1 | -158.7 | -21.8 | 41.2 | -20.7 | 0 | 0 | 0 | 115.2 | ||||
| 657 | T | 30.4 | Very low | 28.1 | Very low | 123 Ų | 123 | 117.6 Ų | 117.6 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | 78.6 | 83.1 | 156.3 | 40.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 658 | S | 30.1 | Very low | 28.4 | Very low | 120 Ų | 120 | 118.1 Ų | 118.1 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | 59.5 | 117.1 | 122.4 | 62.1 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 659 | G | 29.7 | Very low | 28.5 | Very low | 83 Ų | 83 | 115.8 Ų | 115.8 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | 142.1 | 113.3 | 138.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 660 | G | 30 | Very low | 28.5 | Very low | 79 Ų | 79 | 118.3 Ų | 118.3 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | trans | 91.8 | 100.5 | 152.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 661 | T | 29.2 | Very low | 28.3 | Very low | 138 Ų | 138 | 122.4 Ų | 122.4 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | trans | -35.5 | 149.6 | 155.7 | 46.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 662 | S | 25.2 | Very low | 28.3 | Very low | 112 Ų | 112 | 124.3 Ų | 124.3 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | cis | -175 | 126.7 | -6.5 | 46.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 663 | A | 24.8 | Very low | 28.1 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -156.5 | 171.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 664 | L | 26.1 | Very low | 28.2 | Very low | 179 Ų | 179 | 126.2 Ų | 126.2 | 94% | 0.937 | 79% | 0.786 | S | S | * | * | trans | -59.5 | 158.4 | -173.9 | -77 | 60.2 | 0 | 0 | 0 | 114.3 | ||||
| 665 | G | 26.1 | Very low | 28.7 | Very low | 66 Ų | 66 | 125.6 Ų | 125.6 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | cis | 156.5 | 166.5 | -5.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 666 | S | 26 | Very low | 28.4 | Very low | 65 Ų | 65 | 126.4 Ų | 126.4 | 46% | 0.455 | 78% | 0.78 | S | S | . | * | trans | -157.4 | 117.5 | 173.1 | -155 | 0 | 0 | 0 | 0 | 108 | N649 | N649-S666 VanDerWaalsContact O-CB 3.22Å; N649-S666 WeakPolarHBondContact O-CB 3.48Å; N649-S666 PolarHBondContact O-OG 3Å; N649-S666 VanDerWaalsContact O-OG 3.08Å | ||
| 667 | R | 27.6 | Very low | 28.2 | Very low | 226 Ų | 226 | 129 Ų | 129 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | 61 | 136.2 | 79.9 | -88.7 | -174.3 | 172.5 | -174.8 | -1.2 | 113 | |||||
| 668 | T | 33.6 | Very low | 28.1 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | cis | -141.2 | 143.4 | 6.5 | 49 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 669 | G | 30.4 | Very low | 28 | Very low | 67 Ų | 67 | 131.5 Ų | 131.5 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | cis | -162.2 | 129 | -10.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 670 | L | 29.1 | Very low | 27.9 | Very low | 173 Ų | 173 | 135.2 Ų | 135.2 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | -47.5 | 140.9 | -176.6 | -90 | 69.6 | 0 | 0 | 0 | 112.8 | ||||
| 671 | R | 24.4 | Very low | 27.8 | Very low | 230 Ų | 230 | 142 Ų | 142 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | cis | 48 | 114.2 | 24.5 | -75.1 | -165.8 | 179.8 | -163.7 | 1.7 | 113 | ||||
| 672 | V | 29.3 | Very low | 27.6 | Very low | 136 Ų | 136 | 143.7 Ų | 143.7 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | -153.2 | 154.1 | 64.7 | 158.6 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 673 | S | 25 | Very low | 27.7 | Very low | 100 Ų | 100 | 146 Ų | 146 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | -73.8 | 144.1 | 171.8 | 51.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 674 | L | 26.1 | Very low | 27.8 | Very low | 165 Ų | 165 | 145.2 Ų | 145.2 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | 55.1 | 128.4 | 136.1 | -157 | 78.9 | 0 | 0 | 0 | 118.9 | ||||
| 675 | P | 38.5 | Very low | 27.8 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | cis | -120.9 | -141.4 | 0 | 36.3 | -15.6 | 0 | 0 | 0 | 111.8 | ||||
| 676 | Q | 24.6 | Very low | 27.7 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | 68.7 | 65.4 | 174 | -61 | -172.9 | -60.5 | 0 | 0 | 118 | ||||
| 677 | L | 26.7 | Very low | 27.6 | Very low | 157 Ų | 157 | 148.1 Ų | 148.1 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -148 | 28 | 141.5 | -147.8 | 81.2 | 0 | 0 | 0 | 114.2 | ||
| 678 | V | 28.7 | Very low | 27.5 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -116.1 | 7.3 | 167.2 | -176.6 | 0 | 0 | 0 | 0 | 110.2 | ||
| 679 | Q | 26.4 | Very low | 27.1 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -112.2 | 25.5 | -174.3 | -157.1 | 164.6 | 4.2 | 0 | 0 | 112.1 | ||
| 680 | E | 27.7 | Very low | 27 | Very low | 162 Ų | 162 | 146 Ų | 146 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -148.4 | 30.7 | 179.1 | -147.8 | 172.1 | -124.2 | 0 | 0 | 113.1 | ||
| 681 | Y | 27.8 | Very low | 26.9 | Very low | 222 Ų | 222 | 146.3 Ų | 146.3 | 87% | 0.871 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -116.2 | -14 | 169.6 | -160.3 | -110.2 | 0 | 0 | 0 | 113.9 | ||
| 682 | I | 24.7 | Very low | 27 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 89% | 0.887 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -122.7 | 56.9 | 166.6 | -46.2 | -177 | 0 | 0 | 0 | 109.3 | ||
| 683 | Q | 27.4 | Very low | 26.9 | Very low | 159 Ų | 159 | 144 Ų | 144 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -140 | 91.9 | 159.4 | -158.7 | 163.7 | 12.7 | 0 | 0 | 110.3 | ||
| 684 | S | 28.4 | Very low | 27.1 | Very low | 86 Ų | 86 | 146 Ų | 146 | 60% | 0.601 | 75% | 0.749 | S | S | * | * | trans | 11.1 | 113.8 | 171.2 | -168.4 | 0 | 0 | 0 | 0 | 118.9 | V686 | S684-V686 PolarHBondContact OG-N 2.83Š| ||
| 685 | Q | 25.3 | Very low | 27.3 | Very low | 178 Ų | 178 | 142.5 Ų | 142.5 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | trans | -109.3 | 51.9 | 140.2 | -88.4 | -64.7 | -15.3 | 0 | 0 | 112 | S687 | Q685-S687 PolarHBondContact O-N 3.01Š| ||
| 686 | V | 23.5 | Very low | 26.8 | Very low | 116 Ų | 116 | 145.3 Ų | 145.3 | 70% | 0.703 | 74% | 0.74 | S | S | * | * | trans | -79.2 | 84.4 | 139.3 | 178.5 | 0 | 0 | 0 | 0 | 107.6 | S684 | S684-V686 PolarHBondContact OG-N 2.83Š| ||
| 687 | S | 24.3 | Very low | 26.8 | Very low | 78 Ų | 78 | 145.7 Ų | 145.7 | 55% | 0.545 | 75% | 0.746 | S | S | . | * | trans | 63.3 | 146.1 | 138.2 | 75.7 | 0 | 0 | 0 | 0 | 119.7 | Q685 | Q685-S687 PolarHBondContact O-N 3.01Š| ||
| 688 | L | 25.8 | Very low | 26.6 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | cis | -168.8 | 165.3 | 2.3 | -125.9 | 170.7 | 0 | 0 | 0 | 110.6 | ||||
| 689 | S | 25.7 | Very low | 26.4 | Very low | 92 Ų | 92 | 141.8 Ų | 141.8 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | trans | 70.4 | 162.8 | 148.6 | 76.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 690 | L | 27 | Very low | 26.3 | Very low | 140 Ų | 140 | 141.9 Ų | 141.9 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | cis | -114.6 | 171.1 | -7 | -95.5 | 100.7 | 0 | 0 | 0 | 109.4 | ||||
| 691 | Q | 27.5 | Very low | 26.2 | Very low | 179 Ų | 179 | 138.2 Ų | 138.2 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | S | Bend | cis | -164.8 | 135.3 | 41.2 | -160.8 | 176.7 | 16.9 | 0 | 0 | 106.1 | ||
| 692 | Q | 26.8 | Very low | 26 | Very low | 169 Ų | 169 | 134.8 Ų | 134.8 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | cis | -127.7 | 139.2 | 22 | -67.7 | 170.4 | -76.3 | 0 | 0 | 110.2 | ||||
| 693 | Q | 26.9 | Very low | 25.9 | Very low | 149 Ų | 149 | 132.9 Ų | 132.9 | 70% | 0.696 | 73% | 0.734 | S | S | * | * | 52.2 | 141.6 | 100.4 | -58.6 | -154.2 | -11 | 0 | 0 | 117.3 | |||||
| 694 | Q | 29.3 | Very low | 25.8 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 65% | 0.654 | 74% | 0.736 | S | S | * | * | cis | -169.1 | 165.1 | -9 | -108.4 | -162.7 | 106.6 | 0 | 0 | 106.8 | ||||
| 695 | S | 30.1 | Very low | 25.7 | Very low | 93 Ų | 93 | 135.1 Ų | 135.1 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | cis | -166.4 | 176.3 | -13.1 | 69.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 696 | K | 27.7 | Very low | 25.6 | Very low | 168 Ų | 168 | 132.3 Ų | 132.3 | 73% | 0.73 | 73% | 0.733 | S | S | * | * | cis | -134.8 | -118.7 | -4.7 | -145.4 | 162.4 | -176.1 | 172.4 | 0 | 107.7 | ||||
| 697 | L | 25.4 | Very low | 25.7 | Very low | 156 Ų | 156 | 133.3 Ų | 133.3 | 82% | 0.817 | 74% | 0.735 | S | S | * | * | cis | -149 | 113.2 | -9.5 | -176.7 | 66.4 | 0 | 0 | 0 | 110.1 | ||||
| 698 | S | 22.4 | Very low | 25.7 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | trans | -158.1 | 138.1 | 164.4 | 55.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 699 | S | 23.8 | Very low | 25.6 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | trans | -166.5 | 117.3 | 167.8 | -64.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 700 | V | 24.2 | Very low | 25.4 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | trans | -149.5 | 127.7 | 166.1 | 174.2 | 0 | 0 | 0 | 0 | 104 | ||||
| 701 | A | 26.4 | Very low | 25.3 | Very low | 85 Ų | 85 | 141.3 Ų | 141.3 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | cis | -153.3 | -165 | -9.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 702 | N | 23.2 | Very low | 25.2 | Very low | 151 Ų | 151 | 135.7 Ų | 135.7 | 81% | 0.807 | 75% | 0.746 | S | S | * | * | trans | -152.5 | 150.1 | 150.6 | -119 | -12.4 | 0 | 0 | 0 | 115.1 | ||||
| 703 | L | 23.7 | Very low | 25 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 70% | 0.696 | 75% | 0.746 | S | S | * | * | trans | 38.2 | 104.3 | 167.2 | -82.9 | 71.9 | 0 | 0 | 0 | 121.8 | ||||
| 704 | I | 24.2 | Very low | 25 | Very low | 152 Ų | 152 | 133.1 Ų | 133.1 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | 37.3 | 117.4 | 102.6 | -55.8 | 166.3 | 0 | 0 | 0 | 118 | |||||
| 705 | N | 25.6 | Very low | 24.8 | Very low | 140 Ų | 140 | 133.8 Ų | 133.8 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | -155.9 | 120.6 | 125.2 | -147 | -10.3 | 0 | 0 | 0 | 114.6 | |||||
| 706 | N | 24.7 | Very low | 24.6 | Very low | 118 Ų | 118 | 134 Ų | 134 | 63% | 0.631 | 75% | 0.746 | S | S | * | * | trans | 30.4 | 117.6 | 150.1 | -72.4 | -33.4 | 0 | 0 | 0 | 124.6 | ||||
| 707 | N | 24.1 | Very low | 24.4 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | 91.9 | 133 | 115.2 | -65.3 | -20.8 | 0 | 0 | 0 | 125.3 | |||||
| 708 | S | 24.5 | Very low | 24.8 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | 67 | 100.1 | 138.4 | 61.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 709 | M | 23.4 | Very low | 25 | Very low | 171 Ų | 171 | 129.9 Ų | 129.9 | 84% | 0.842 | 75% | 0.75 | S | S | * | * | 40.7 | 121.6 | 122.5 | -63.4 | -160 | -150 | 0 | 0 | 122.9 | |||||
| 710 | N | 22 | Very low | 25.1 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 68% | 0.684 | 75% | 0.747 | S | S | * | * | 88.7 | 142.4 | 124.9 | -74.5 | -14.3 | 0 | 0 | 0 | 123.9 | |||||
| 711 | Y | 24.6 | Very low | 25.3 | Very low | 219 Ų | 219 | 129.1 Ų | 129.1 | 86% | 0.859 | 74% | 0.736 | S | S | * | * | trans | 67.6 | 101.3 | 159.5 | -68.9 | -63.9 | 0 | 0 | 0 | 121.3 | ||||
| 712 | G | 25.7 | Very low | 25.2 | Very low | 61 Ų | 61 | 134.1 Ų | 134.1 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | 109.5 | 113.4 | 93.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 713 | N | 23.9 | Very low | 25.4 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | trans | 65.6 | 154.5 | 157.1 | -71.1 | 41.3 | 0 | 0 | 0 | 117.4 | ||||
| 714 | D | 25.4 | Very low | 25.5 | Very low | 115 Ų | 115 | 138 Ų | 138 | 62% | 0.615 | 75% | 0.75 | S | S | * | * | cis | -152.4 | 164.8 | 4.9 | -133 | -51.6 | 0 | 0 | 0 | 113.2 | ||||
| 715 | Q | 26.6 | Very low | 25.3 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 72% | 0.724 | 75% | 0.746 | S | S | * | * | trans | 59.9 | 118.2 | 153 | -80.8 | 151.6 | 66.7 | 0 | 0 | 126 | ||||
| 716 | S | 25.3 | Very low | 26 | Very low | 96 Ų | 96 | 134 Ų | 134 | 67% | 0.671 | 74% | 0.744 | S | S | * | * | trans | 66.8 | 104.8 | 133.3 | 63 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 717 | T | 24.4 | Very low | 25.9 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | 30 | 145.8 | 114.8 | 56.4 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 718 | P | 32.2 | Very low | 26.2 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | cis | -148.5 | 173.3 | 42.7 | 42.9 | -24.1 | 0 | 0 | 0 | 119.1 | ||||
| 719 | A | 26.2 | Very low | 26.2 | Very low | 94 Ų | 94 | 134.7 Ų | 134.7 | 78% | 0.777 | 75% | 0.75 | S | S | * | * | trans | 58.6 | 143.5 | 164 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 720 | D | 26.6 | Very low | 26.2 | Very low | 141 Ų | 141 | 130.6 Ų | 130.6 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | cis | -139.7 | 170.1 | 12.7 | -139.7 | -43.1 | 0 | 0 | 0 | 112.8 | ||||
| 721 | T | 28 | Very low | 26.3 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 66% | 0.663 | 75% | 0.745 | S | S | * | * | trans | -6.1 | 143.5 | 171 | 36.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 722 | F | 24.8 | Very low | 26.3 | Very low | 190 Ų | 190 | 130.2 Ų | 130.2 | 83% | 0.833 | 74% | 0.741 | S | S | * | * | cis | -147.1 | 153.9 | 24.3 | -130.7 | -75.9 | 0 | 0 | 0 | 114 | ||||
| 723 | V | 27.7 | Very low | 26.1 | Very low | 130 Ų | 130 | 131.5 Ų | 131.5 | 79% | 0.788 | 74% | 0.741 | S | S | * | * | trans | -74.5 | 164 | -170.2 | 168.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 724 | R | 25 | Very low | 26.2 | Very low | 235 Ų | 235 | 130.6 Ų | 130.6 | 89% | 0.887 | 74% | 0.741 | S | S | * | * | cis | 178.1 | 167.9 | -36.7 | -152 | 177.1 | -166.6 | 167.8 | 4.4 | 109.3 | ||||
| 725 | S | 21.3 | Very low | 26 | Very low | 100 Ų | 100 | 131.2 Ų | 131.2 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | trans | -126.7 | -155.8 | 173.9 | 63 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 726 | P | 40.1 | Very low | 25.9 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | cis | -137.9 | -153.5 | -25 | 40.2 | -19.3 | 0 | 0 | 0 | 113.9 | ||||
| 727 | S | 23.2 | Very low | 25.8 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | 83.4 | 157.4 | 158.5 | 74.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 728 | V | 28.6 | Very low | 26.2 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | cis | -149.4 | 146.6 | 29.1 | 174.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 729 | I | 25.8 | Very low | 25.9 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -3.5 | 159.8 | 146.2 | -47.2 | 169.8 | 0 | 0 | 0 | 119.6 | ||||
| 730 | S | 22.6 | Very low | 25.9 | Very low | 85 Ų | 85 | 140.9 Ų | 140.9 | 59% | 0.594 | 76% | 0.761 | S | S | * | * | cis | 172 | 146.1 | -40.1 | 88.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 731 | K | 23.5 | Very low | 25.8 | Very low | 192 Ų | 192 | 138.3 Ų | 138.3 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | trans | 65.4 | 151.6 | 167.2 | -55.2 | 175.1 | 179.9 | 176.7 | 0 | 116.2 | ||||
| 732 | L | 24.9 | Very low | 25.6 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | cis | -173.5 | 152.4 | 38.1 | -164.4 | 75.6 | 0 | 0 | 0 | 112.6 | ||||
| 733 | S | 22 | Very low | 25.6 | Very low | 88 Ų | 88 | 134.3 Ų | 134.3 | 62% | 0.615 | 75% | 0.747 | S | S | * | * | trans | 58.4 | 142 | 147.4 | 56.4 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 734 | T | 25.4 | Very low | 25.4 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 80% | 0.798 | 75% | 0.747 | S | S | * | * | trans | 68.4 | 146.9 | 149.3 | 40.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 735 | V | 22.7 | Very low | 25.3 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | cis | 169.5 | 150.3 | -49.4 | 152.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 736 | I | 22.9 | Very low | 25.4 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 84% | 0.841 | 74% | 0.74 | S | S | * | * | trans | 74.4 | 138.7 | -179.5 | -16.9 | -175.3 | 0 | 0 | 0 | 118.6 | ||||
| 737 | M | 23.9 | Very low | 24.6 | Very low | 172 Ų | 172 | 132.7 Ų | 132.7 | 85% | 0.847 | 74% | 0.74 | S | S | * | * | trans | -91.7 | -169 | 165.4 | -69.9 | -176.2 | 160.3 | 0 | 0 | 109.8 | ||||
| 738 | P | 33.1 | Very low | 24.7 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | cis | -135.4 | -171.7 | 1.1 | 41 | -20.3 | 0 | 0 | 0 | 116.3 | ||||
| 739 | N | 25.3 | Very low | 24.6 | Very low | 143 Ų | 143 | 132.8 Ų | 132.8 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | trans | -54.1 | 150.1 | -178.1 | -45 | -20.1 | 0 | 0 | 0 | 115.9 | ||||
| 740 | Y | 26.3 | Very low | 24.6 | Very low | 200 Ų | 200 | 128.4 Ų | 128.4 | 78% | 0.784 | 73% | 0.733 | S | S | * | * | -165 | 162.4 | 101 | -119.6 | -88.6 | 0 | 0 | 0 | 115 | |||||
| 741 | D | 24.7 | Very low | 24.9 | Very low | 87 Ų | 87 | 132.5 Ų | 132.5 | 47% | 0.465 | 75% | 0.746 | S | S | . | * | trans | -45.6 | 157.5 | -165 | -64.7 | -21.7 | 0 | 0 | 0 | 123.8 | ||||
| 742 | T | 24.9 | Very low | 25.1 | Very low | 129 Ų | 129 | 126.6 Ų | 126.6 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | trans | 80.7 | 93.2 | 139.6 | 43.7 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 743 | A | 24.3 | Very low | 25.3 | Very low | 85 Ų | 85 | 127.2 Ų | 127.2 | 70% | 0.702 | 74% | 0.739 | S | S | * | * | 87.7 | 163.5 | 103.4 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 744 | T | 23.6 | Very low | 25.6 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | trans | 85.9 | 116.9 | 166.3 | 58.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 745 | V | 23.2 | Very low | 25.6 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 69% | 0.691 | 74% | 0.738 | S | S | * | * | 77.7 | 86.2 | 128.6 | 179.7 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 746 | Q | 23 | Very low | 25.9 | Very low | 161 Ų | 161 | 127.4 Ų | 127.4 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | 83.2 | 147.4 | 111 | -95.4 | -172.3 | -20.8 | 0 | 0 | 124.3 | |||||
| 747 | L | 23.9 | Very low | 26.1 | Very low | 134 Ų | 134 | 127.1 Ų | 127.1 | 70% | 0.702 | 73% | 0.732 | S | S | * | * | trans | 82.4 | 131.9 | 140.5 | -76.6 | 163.4 | 0 | 0 | 0 | 121.1 | ||||
| 748 | V | 25 | Very low | 26.3 | Very low | 127 Ų | 127 | 125 Ų | 125 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | trans | 67.8 | 130.7 | 144.8 | 171.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 749 | S | 26.3 | Very low | 25.9 | Very low | 101 Ų | 101 | 126.4 Ų | 126.4 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | cis | -163 | 158.4 | -15.1 | 49.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 750 | G | 25.5 | Very low | 26 | Very low | 60 Ų | 60 | 123.4 Ų | 123.4 | 62% | 0.619 | 73% | 0.727 | S | S | * | * | cis | 102.6 | 149.9 | 28.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 751 | I | 28.2 | Very low | 26 | Very low | 171 Ų | 171 | 118.1 Ų | 118.1 | 88% | 0.877 | 73% | 0.734 | S | S | * | * | trans | 73.4 | 138.9 | -172.2 | -46.7 | 161.8 | 0 | 0 | 0 | 111.9 | ||||
| 752 | G | 27.3 | Very low | 26.1 | Very low | 68 Ų | 68 | 117.1 Ų | 117.1 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | cis | -163.3 | -171.7 | -4.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 753 | E | 30 | Very low | 26.2 | Very low | 161 Ų | 161 | 120.6 Ų | 120.6 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | cis | -167.3 | 169.3 | 16.6 | -75.9 | -153.8 | 132.7 | 0 | 0 | 107.8 | ||||
| 754 | N | 28.3 | Very low | 26.3 | Very low | 115 Ų | 115 | 122.8 Ų | 122.8 | 62% | 0.615 | 75% | 0.753 | S | S | * | * | cis | -168.2 | 151.5 | -20.8 | -96.7 | -15.2 | 0 | 0 | 0 | 110.8 | ||||
| 755 | S | 25.6 | Very low | 26.5 | Very low | 110 Ų | 110 | 120.7 Ų | 120.7 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | 59.3 | 164.7 | 148.5 | 68.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 756 | V | 28.6 | Very low | 26.6 | Very low | 124 Ų | 124 | 120.8 Ų | 120.8 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | cis | -143.4 | 144.3 | 15.1 | -177.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 757 | H | 27.2 | Very low | 26.9 | Very low | 159 Ų | 159 | 121.8 Ų | 121.8 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | cis | 112.6 | 141.1 | 6.5 | -156.3 | -61.4 | 0 | 0 | 0 | 114.9 | ||||
| 758 | L | 27.8 | Very low | 27.1 | Very low | 126 Ų | 126 | 122.5 Ų | 122.5 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | trans | 104.2 | 118 | 166.7 | -58.8 | 172 | 0 | 0 | 0 | 121.5 | ||||
| 759 | D | 25.1 | Very low | 27.1 | Very low | 150 Ų | 150 | 120.8 Ų | 120.8 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | 84 | 143.8 | 126.1 | -61.4 | -3.2 | 0 | 0 | 0 | 126.7 | |||||
| 760 | G | 27.5 | Very low | 27.2 | Very low | 81 Ų | 81 | 121.9 Ų | 121.9 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | trans | 97.5 | 131.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 761 | G | 26.1 | Very low | 27.5 | Very low | 89 Ų | 89 | 127.7 Ų | 127.7 | 92% | 0.918 | 79% | 0.786 | S | S | * | * | cis | 107.9 | 125.7 | 6.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 762 | G | 26.3 | Very low | 27.6 | Very low | 66 Ų | 66 | 125 Ų | 125 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | cis | -175 | -144.4 | 3.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 763 | F | 27.8 | Very low | 27.6 | Very low | 201 Ų | 201 | 126.3 Ų | 126.3 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | trans | 68.8 | 110.4 | -178.2 | -66.5 | -95.6 | 0 | 0 | 0 | 115.8 | ||||
| 764 | T | 26.4 | Very low | 27.5 | Very low | 132 Ų | 132 | 125.3 Ų | 125.3 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | cis | 93 | 115.7 | 38.6 | 68.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 765 | G | 28.4 | Very low | 27.4 | Very low | 85 Ų | 85 | 123.8 Ų | 123.8 | 88% | 0.876 | 78% | 0.776 | S | S | * | * | trans | -163.8 | 116.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 766 | S | 24.2 | Very low | 27.6 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -134.9 | 170.4 | -170.4 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 767 | K | 28.9 | Very low | 27.6 | Very low | 182 Ų | 182 | 126.1 Ų | 126.1 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | 100.3 | 140.1 | -175.1 | -60.6 | 163.1 | -177.6 | 177.3 | 0 | 113.5 | ||||
| 768 | N | 28 | Very low | 27.4 | Very low | 150 Ų | 150 | 126.2 Ų | 126.2 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | cis | -156.7 | 161 | -6.8 | -107 | -7.1 | 0 | 0 | 0 | 110.3 | ||||
| 769 | A | 26.3 | Very low | 27.4 | Very low | 90 Ų | 90 | 127.2 Ų | 127.2 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | trans | -85.2 | 169.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 770 | P | 28.4 | Very low | 27.7 | Very low | 125 Ų | 125 | 125.4 Ų | 125.4 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | -146.5 | 170.3 | 71.3 | 41.4 | -23.8 | 0 | 0 | 0 | 116.8 | |||||
| 771 | M | 30.3 | Very low | 27.7 | Very low | 182 Ų | 182 | 127.5 Ų | 127.5 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | trans | -91.3 | 167.2 | 154.1 | -74.3 | -174 | 161.3 | 0 | 0 | 110.1 | ||||
| 772 | P | 32 | Very low | 27.5 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | -149.1 | 172.3 | 100.1 | 41.2 | -25.9 | 0 | 0 | 0 | 116.1 | |||||
| 773 | S | 25.9 | Very low | 27.6 | Very low | 97 Ų | 97 | 133.2 Ų | 133.2 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | 22.4 | 135.5 | 150.5 | 56.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 774 | D | 27.5 | Very low | 27.6 | Very low | 140 Ų | 140 | 128.2 Ų | 128.2 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | cis | -128.9 | 144.3 | 43.1 | -87.8 | -52.7 | 0 | 0 | 0 | 113.4 | ||||
| 775 | S | 27.2 | Very low | 27.6 | Very low | 82 Ų | 82 | 130.6 Ų | 130.6 | 57% | 0.573 | 76% | 0.764 | S | S | * | * | 66.9 | 125.9 | 63.5 | 101.6 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 776 | N | 28.8 | Very low | 27.6 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | cis | -145.4 | 146.8 | 20 | -96.6 | -59.8 | 0 | 0 | 0 | 114 | ||||
| 777 | Q | 29.6 | Very low | 27.7 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | trans | 56.2 | 166.2 | 134.9 | -63.7 | 173.7 | 36 | 0 | 0 | 121.3 | ||||
| 778 | M | 23.6 | Very low | 27.4 | Very low | 162 Ų | 162 | 133 Ų | 133 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | cis | -179.5 | -176.8 | -33.4 | -165.8 | 163.7 | -170.1 | 0 | 0 | 106.3 | ||||
| 779 | I | 28.1 | Very low | 27.7 | Very low | 147 Ų | 147 | 131.9 Ų | 131.9 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | trans | 77.9 | 109.8 | 163.9 | -51.5 | 165.5 | 0 | 0 | 0 | 117.4 | ||||
| 780 | P | 31.6 | Very low | 27.9 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -98 | -177.7 | 149.8 | 36.6 | -29.3 | 0 | 0 | 0 | 112.2 | ||||
| 781 | V | 26.7 | Very low | 27.9 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | trans | 99.7 | 114.2 | 167.7 | -174.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 782 | N | 22.6 | Very low | 27.6 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | trans | 19.8 | 131.1 | 146.3 | -51.9 | -10.1 | 0 | 0 | 0 | 122.6 | ||||
| 783 | T | 28.6 | Very low | 27.5 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | -164.1 | 122.7 | 129.5 | 8.8 | 0 | 0 | 0 | 0 | 109 | |||||
| 784 | S | 26.4 | Very low | 27.7 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | 66.7 | 140.9 | 96.8 | 80.9 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 785 | M | 26.5 | Very low | 27.6 | Very low | 183 Ų | 183 | 133.3 Ų | 133.3 | 90% | 0.901 | 76% | 0.762 | S | S | * | * | cis | -165.7 | 178.4 | 5.5 | -127 | 169.5 | -167.1 | 0 | 0 | 111 | ||||
| 786 | M | 27.6 | Very low | 27.8 | Very low | 169 Ų | 169 | 135.4 Ų | 135.4 | 83% | 0.833 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 101.5 | 115.3 | 177.5 | -61.7 | -171 | -176.6 | 0 | 0 | 114.8 | ||
| 787 | N | 27.9 | Very low | 27.8 | Very low | 149 Ų | 149 | 137 Ų | 137 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | cis | -140.3 | 151.6 | -9.4 | -83.7 | -40.7 | 0 | 0 | 0 | 110.4 | ||||
| 788 | S | 21.9 | Very low | 28.2 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -127.2 | 160.2 | 162 | -47.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 789 | P | 35.3 | Very low | 28.8 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | -145.1 | -166.9 | 77.8 | 44.3 | -26.7 | 0 | 0 | 0 | 111 | |||||
| 790 | A | 28.9 | Very low | 29.4 | Very low | 79 Ų | 79 | 131.1 Ų | 131.1 | 65% | 0.653 | 78% | 0.777 | S | S | * | * | cis | -164.2 | 170.8 | -1.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 791 | F | 28.1 | Very low | 29.5 | Very low | 196 Ų | 196 | 132 Ų | 132 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | cis | -152.3 | 162.1 | -4.3 | -128.1 | -64.3 | 0 | 0 | 0 | 108.8 | ||||
| 792 | L | 25.8 | Very low | 29.5 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | -91.8 | 157.8 | 179.2 | -74.6 | 74.3 | 0 | 0 | 0 | 113.9 | ||||
| 793 | N | 29 | Very low | 29.7 | Very low | 165 Ų | 165 | 129.7 Ų | 129.7 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | 163.4 | 146.6 | 123.4 | -79.8 | -22.3 | 0 | 0 | 0 | 111.2 | |||||
| 794 | G | 29.6 | Very low | 29.6 | Very low | 63 Ų | 63 | 130.1 Ų | 130.1 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | cis | -178.7 | 149.1 | -7.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 795 | T | 26.8 | Very low | 29.6 | Very low | 132 Ų | 132 | 128.7 Ų | 128.7 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | 27.7 | 120.8 | 154.4 | 60.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 796 | T | 30.8 | Very low | 29.6 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | 155.8 | 133 | 110.5 | 45.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 797 | N | 28.8 | Very low | 29.5 | Very low | 152 Ų | 152 | 130.4 Ų | 130.4 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | 60 | 155 | 147.1 | -64.9 | -6.9 | 0 | 0 | 0 | 124.4 | ||||
| 798 | P | 38.9 | Very low | 29.8 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | trans | -104.4 | -168.7 | -175.9 | 45.2 | -38 | 0 | 0 | 0 | 112.6 | ||||
| 799 | P | 35.2 | Very low | 30 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | cis | -130.9 | -162.3 | 4.3 | 48.4 | -29.8 | 0 | 0 | 0 | 113.5 | ||||
| 800 | P | 40.1 | Very low | 29.8 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | trans | -95.7 | 170.6 | -167.6 | 41.8 | -37.4 | 0 | 0 | 0 | 114.5 | ||||
| 801 | P | 33.6 | Very low | 29.6 | Very low | 130 Ų | 130 | 130.4 Ų | 130.4 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | -149.3 | -175.4 | 91.9 | 41 | -23 | 0 | 0 | 0 | 116 | |||||
| 802 | S | 27.2 | Very low | 29.4 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | -87.6 | 153.6 | -179.6 | 54.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 803 | T | 27.9 | Very low | 29.7 | Very low | 121 Ų | 121 | 132 Ų | 132 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | 158.3 | 141.1 | 122.4 | 44.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 804 | T | 26.2 | Very low | 29.6 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | 46.2 | 146 | 146.9 | 59.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 805 | G | 24.9 | Very low | 29.6 | Very low | 66 Ų | 66 | 135.2 Ų | 135.2 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | cis | 160 | -168.4 | 3.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 806 | R | 27.9 | Very low | 29.7 | Very low | 236 Ų | 236 | 136.8 Ų | 136.8 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | trans | 83.7 | 116.7 | -177.9 | -56.4 | 175.3 | 171.7 | 164.4 | -2 | 115.5 | ||||
| 807 | D | 24.1 | Very low | 29.5 | Very low | 151 Ų | 151 | 141.6 Ų | 141.6 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | 63.4 | 139.8 | 61.5 | -54.8 | -41.1 | 0 | 0 | 0 | 113.4 | |||||
| 808 | P | 34.5 | Very low | 29.2 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | cis | -149.7 | 165.5 | 35.7 | 42.6 | -22 | 0 | 0 | 0 | 120.5 | ||||
| 809 | V | 26.7 | Very low | 28.6 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | 10.2 | 137.2 | 130 | 165.7 | 0 | 0 | 0 | 0 | 118 | |||||
| 810 | P | 31.6 | Very low | 28 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 66% | 0.656 | 79% | 0.791 | S | S | * | * | cis | -152.3 | 156 | 44.1 | 39.6 | -17.7 | 0 | 0 | 0 | 122.1 | ||||
| 811 | T | 24.1 | Very low | 27.2 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | 54.5 | 145.3 | 139.3 | 63.6 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 812 | R | 24.5 | Very low | 26.7 | Very low | 241 Ų | 241 | 143.1 Ų | 143.1 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | 72.3 | 143.1 | 158.9 | -71.8 | 171.9 | 175.5 | 179.4 | -1.7 | 115.9 | ||||
| 813 | T | 32 | Very low | 26.7 | Very low | 131 Ų | 131 | 144.4 Ų | 144.4 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | cis | -131.1 | 156.5 | 8.4 | 44.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 814 | H | 25.5 | Very low | 26.6 | Very low | 183 Ų | 183 | 143.6 Ų | 143.6 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | trans | -77.9 | -175.9 | 167 | -56 | -95.1 | 0 | 0 | 0 | 112 | ||||
| 815 | P | 29.6 | Very low | 26.6 | Very low | 113 Ų | 113 | 143.8 Ų | 143.8 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | cis | -131.3 | 169.2 | -10.3 | 30 | -9.7 | 0 | 0 | 0 | 115.5 | ||||
| 816 | I | 30.1 | Very low | 26.7 | Very low | 164 Ų | 164 | 150 Ų | 150 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | S | Bend | -168.1 | 125.3 | 118.2 | -96.4 | 156.2 | 0 | 0 | 0 | 110.6 | |||
| 817 | R | 25.6 | Very low | 26.7 | Very low | 227 Ų | 227 | 149.1 Ų | 149.1 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | 26.9 | 95.2 | 168.8 | -70.9 | -175.2 | 168.3 | 161.3 | -2.8 | 119.9 | V819 | R817-V819 HydrophobicContact CG-CG2 4.34Š| ||
| 818 | S | 22.4 | Very low | 26.9 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | -93.2 | 134.7 | 121 | 49 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 819 | V | 26.9 | Very low | 26.6 | Very low | 107 Ų | 107 | 147.9 Ų | 147.9 | 65% | 0.648 | 79% | 0.791 | S | S | * | * | trans | -148 | 107.3 | 165.8 | -178.5 | 0 | 0 | 0 | 0 | 109.5 | R817 E821 | R817-V819 HydrophobicContact CG-CG2 4.34Å; V819-E821 HydrophobicContact CG1-CB 4.26Å | ||
| 820 | S | 22.4 | Very low | 26.4 | Very low | 128 Ų | 128 | 147.2 Ų | 147.2 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | trans | -104.6 | 97.1 | 146.5 | -69.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 821 | E | 23.9 | Very low | 26.1 | Very low | 178 Ų | 178 | 152 Ų | 152 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -159.9 | 146.8 | 164.2 | -125.8 | 169.8 | -157.8 | 0 | 0 | 110.1 | V819 | V819-E821 HydrophobicContact CG1-CB 4.26Š| ||
| 822 | T | 23.3 | Very low | 26.1 | Very low | 130 Ų | 130 | 151 Ų | 151 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | trans | -96 | 152.4 | -177.3 | 51.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 823 | V | 26.3 | Very low | 26.1 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | 179.6 | 117.9 | 128.7 | 143.5 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 824 | S | 25.2 | Very low | 25.8 | Very low | 103 Ų | 103 | 146.2 Ų | 146.2 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | trans | 51.5 | 151.9 | 137.5 | -48.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 825 | L | 26.6 | Very low | 25.8 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | cis | -157.4 | 132.2 | 4.4 | -157.2 | 82.7 | 0 | 0 | 0 | 113.8 | ||||
| 826 | K | 27.3 | Very low | 25.5 | Very low | 195 Ų | 195 | 141.8 Ų | 141.8 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | 174.6 | 106.1 | 136.1 | -99.2 | 173.2 | 179.3 | -179 | 0 | 107 | ||||
| 827 | R | 28.3 | Very low | 25.3 | Very low | 218 Ų | 218 | 140.8 Ų | 140.8 | 82% | 0.823 | 78% | 0.783 | S | S | * | * | 57.1 | 127.4 | 97.6 | -73.8 | -157.3 | 171.1 | 163 | -2.2 | 113.2 | |||||
| 828 | T | 28.7 | Very low | 25.2 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | cis | -169.3 | 145.7 | 6.3 | 9.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 829 | T | 27 | Very low | 25.3 | Very low | 126 Ų | 126 | 139 Ų | 139 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | cis | -162.9 | 164.5 | -10.5 | -9.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 830 | S | 23.1 | Very low | 25.2 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -148.5 | 146.8 | 155.7 | 57.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 831 | E | 25.2 | Very low | 25.4 | Very low | 202 Ų | 202 | 141.2 Ų | 141.2 | 94% | 0.944 | 78% | 0.783 | S | S | * | * | trans | -112.5 | 99.7 | 179 | -76 | -160.9 | 142.1 | 0 | 0 | 111.9 | ||||
| 832 | A | 23.9 | Very low | 25.4 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | -161.2 | 78.9 | 164 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 833 | S | 24.9 | Very low | 25.4 | Very low | 95 Ų | 95 | 136.4 Ų | 136.4 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | trans | -172.7 | 143.2 | 158 | -174.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 834 | L | 24.7 | Very low | 25.5 | Very low | 176 Ų | 176 | 136.5 Ų | 136.5 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | trans | -147.4 | 105.5 | 136.1 | -126.3 | 171.9 | 0 | 0 | 0 | 109.2 | ||||
| 835 | T | 25.8 | Very low | 25.5 | Very low | 107 Ų | 107 | 139 Ų | 139 | 66% | 0.656 | 78% | 0.784 | S | S | * | * | trans | -85.8 | 158.5 | 175.4 | 48.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 836 | S | 23.8 | Very low | 25.8 | Very low | 95 Ų | 95 | 136.9 Ų | 136.9 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | 162.5 | 178.1 | 83.6 | 57.4 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 837 | H | 25.4 | Very low | 25.7 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | cis | -161.7 | 158.2 | 17.1 | -134.8 | -58.1 | 0 | 0 | 0 | 111.3 | ||||
| 838 | F | 24.4 | Very low | 25.6 | Very low | 180 Ų | 180 | 131 Ų | 131 | 79% | 0.789 | 77% | 0.767 | S | S | * | * | trans | 68.3 | 143.7 | 157.7 | -75.5 | -64.7 | 0 | 0 | 0 | 122.6 | ||||
| 839 | T | 24.3 | Very low | 25.4 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -144 | 133 | 168 | 49.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 840 | S | 24.7 | Very low | 25.3 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | 166.7 | 166 | 139.3 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 841 | I | 25.9 | Very low | 25.5 | Very low | 167 Ų | 167 | 131.2 Ų | 131.2 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | trans | 74.1 | 94.5 | 170.2 | -47.1 | 176.2 | 0 | 0 | 0 | 116.6 | ||||
| 842 | G | 24.4 | Very low | 25.5 | Very low | 63 Ų | 63 | 129.1 Ų | 129.1 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | 109.6 | 92.4 | 100.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 843 | V | 23.6 | Very low | 25.8 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 87% | 0.873 | 77% | 0.766 | S | S | * | * | trans | 68.1 | 154.6 | 139.6 | -159.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 844 | V | 28.3 | Very low | 25.9 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | trans | 89 | 89.9 | 169.4 | -165.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 845 | D | 24.4 | Very low | 26 | Very low | 156 Ų | 156 | 127.9 Ų | 127.9 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | 18.8 | 160.9 | 122.5 | -84.3 | -26.8 | 0 | 0 | 0 | 123.7 | |||||
| 846 | P | 33.9 | Very low | 26 | Very low | 101 Ų | 101 | 127.6 Ų | 127.6 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | trans | -118.5 | 177.1 | -137.9 | 43.9 | -37.1 | 0 | 0 | 0 | 116.2 | ||||
| 847 | H | 24.6 | Very low | 26.4 | Very low | 168 Ų | 168 | 131.3 Ų | 131.3 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | -174.2 | 154.5 | 128.9 | -113 | -81 | 0 | 0 | 0 | 115.8 | |||||
| 848 | N | 27 | Very low | 26.6 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 65% | 0.647 | 79% | 0.792 | S | S | * | * | trans | 69.9 | 111.7 | 149 | -81.1 | 11.2 | 0 | 0 | 0 | 124.5 | ||||
| 849 | N | 24.6 | Very low | 27.2 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | 70.4 | 128.5 | 119.2 | -70.2 | -1.6 | 0 | 0 | 0 | 124.4 | |||||
| 850 | N | 24.6 | Very low | 27.8 | Very low | 159 Ų | 159 | 126.7 Ų | 126.7 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | 69.5 | 125.6 | 141.2 | -63.3 | -5.8 | 0 | 0 | 0 | 120.5 | ||||
| 851 | G | 27.3 | Very low | 28.4 | Very low | 77 Ų | 77 | 126.7 Ų | 126.7 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | trans | 149.3 | 106.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 852 | N | 25.4 | Very low | 29 | Very low | 159 Ų | 159 | 126.3 Ų | 126.3 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | trans | -68.4 | 147 | 167.6 | -64.6 | -20 | 0 | 0 | 0 | 110.7 | ||||
| 853 | I | 29.8 | Very low | 29.6 | Very low | 173 Ų | 173 | 128.3 Ų | 128.3 | 89% | 0.887 | 75% | 0.748 | S | S | * | * | -178.3 | 151.1 | 111.6 | -92.1 | 158.5 | 0 | 0 | 0 | 109.9 | |||||
| 854 | A | 26.9 | Very low | 30.4 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 85% | 0.851 | 73% | 0.73 | S | S | * | * | trans | -89.8 | 169.2 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 855 | G | 26.3 | Very low | 31.5 | Very low | 71 Ų | 71 | 123.3 Ų | 123.3 | 73% | 0.732 | 71% | 0.714 | S | S | * | * | trans | -169.4 | 124 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 856 | A | 27.6 | Very low | 32.6 | Very low | 101 Ų | 101 | 120.2 Ų | 120.2 | 84% | 0.835 | 70% | 0.698 | S | S | * | * | trans | 62.5 | 86.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 857 | D | 30.9 | Very low | 33.6 | Very low | 173 Ų | 173 | 120 Ų | 120 | 93% | 0.925 | 69% | 0.69 | S | S | * | * | -152.3 | 123.1 | 111.2 | -124.1 | -12.6 | 0 | 0 | 0 | 108.6 | |||||
| 858 | L | 30.6 | Very low | 34.6 | Very low | 148 Ų | 148 | 117.6 Ų | 117.6 | 78% | 0.775 | 68% | 0.679 | S | S | * | * | trans | -131.2 | 94.1 | -169.1 | -143.8 | 167.9 | 0 | 0 | 0 | 109.9 | D860 | L858-D860 WeakPolarHBondContact CD2-OD1 3.15Š| ||
| 859 | L | 35.5 | Very low | 35.8 | Very low | 111 Ų | 111 | 116.8 Ų | 116.8 | 58% | 0.581 | 68% | 0.675 | S | S | * | * | trans | -150.6 | 98.1 | 176 | -157.8 | 161.6 | 0 | 0 | 0 | 106.6 | M863 | L859-M863 HydrophobicContact CD2-CE 3.73Å; L859-M863 HydrophobicContact CG-CE 4.5Å | ||
| 860 | D | 37.5 | Very low | 37.2 | Very low | 98 Ų | 98 | 116 Ų | 116 | 52% | 0.524 | 67% | 0.669 | S | S | . | * | trans | -59.9 | 133.9 | -154.3 | -53.8 | -72 | 0 | 0 | 0 | 113.7 | L858 E862 M863 K864 | L858-D860 WeakPolarHBondContact CD2-OD1 3.15Å; D860-E862 PolarHBondContact O-N 3.5Å; D860-E862 VanDerWaalsContact O-N 3.16Å; D860-M863 PolarHBondContact O-N 3.47Å; D860-K864 PolarHBondContact O-N 3.37Å | ||
| 861 | D | 37.1 | Very low | 38.5 | Very low | 114 Ų | 114 | 112.5 Ų | 112.5 | 61% | 0.61 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -65.1 | -19 | -177.8 | -75.3 | -49.9 | 0 | 0 | 0 | 112.8 | K864 A865 | D861-K864 WeakPolarHBondContact O-CB 3.43Å; D861-K864 PolarHBondContact O-N 2.74Å; D861-K864 WeakPolarHBondContact OD1-CD 3.37Å; D861-K864 WeakPolarHBondContact OD1-CE 3.33Å; D861-K864 IonicContact OD1-NZ 3.95Å; D861-K864 PolarHBondContact OD1-NZ 3.45Å; D861-A865 WeakPolarHBondContact O-CB 3.32Å; D861-A865 PolarHBondContact O-N 3.04Å |
| 862 | E | 38.1 | Very low | 39.2 | Very low | 158 Ų | 158 | 116.7 Ų | 116.7 | 74% | 0.738 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -64.6 | -42.5 | 171.2 | -166.1 | 161.2 | -132.2 | 0 | 0 | 111.7 | D860 K864 A865 D866 | D860-E862 PolarHBondContact O-N 3.5Å; D860-E862 VanDerWaalsContact O-N 3.16Å; E862-K864 VanDerWaalsContact C-N 3.31Å; E862-K864 PolarHBondContact O-N 3.3Å; E862-A865 WeakPolarHBondContact O-CA 3.17Å; E862-A865 WeakPolarHBondContact O-CB 3.39Å; E862-A865 PolarHBondContact O-N 3.35Å; E862-A865 VanDerWaalsContact O-N 3.07Å; E862-D866 PolarHBondContact O-N 3.23Å |
| 863 | M | 38.3 | Very low | 40 | Very low | 106 Ų | 106 | 115.9 Ų | 115.9 | 52% | 0.522 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -70.6 | -26.8 | 174.1 | -171.9 | 172.1 | 56.9 | 0 | 0 | 112.2 | L859 D860 I867 | L859-M863 HydrophobicContact CD2-CE 3.73Å; L859-M863 HydrophobicContact CG-CE 4.5Å; D860-M863 PolarHBondContact O-N 3.47Å; M863-I867 HydrophobicContact CG-CD1 4.21Å; M863-I867 WeakPolarHBondContact O-CB 3.34Å; M863-I867 WeakPolarHBondContact O-CD1 3.4Å; M863-I867 VanDerWaalsContact O-CG1 3.25Å; M863-I867 WeakPolarHBondContact O-CG1 3.49Å; M863-I867 PolarHBondContact O-N 2.94Å |
| 864 | K | 40.7 | Very low | 40.6 | Very low | 112 Ų | 112 | 111.9 Ų | 111.9 | 49% | 0.487 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.1 | -40.5 | 166.6 | -70.4 | -178.9 | -161.8 | 145.2 | 0 | 111.5 | D860 D861 E862 I867 Q868 | D860-K864 PolarHBondContact O-N 3.37Å; D861-K864 WeakPolarHBondContact O-CB 3.43Å; D861-K864 PolarHBondContact O-N 2.74Å; D861-K864 WeakPolarHBondContact OD1-CD 3.37Å; D861-K864 WeakPolarHBondContact OD1-CE 3.33Å; D861-K864 IonicContact OD1-NZ 3.95Å; D861-K864 PolarHBondContact OD1-NZ 3.45Å; E862-K864 VanDerWaalsContact C-N 3.31Å; E862-K864 PolarHBondContact O-N 3.3Å; K864-I867 PolarHBondContact O-N 3.45Å; K864-Q868 WeakPolarHBondContact O-CB 3.28Å; K864-Q868 VanDerWaalsContact O-CG 3.28Å; K864-Q868 WeakPolarHBondContact O-CG 3.48Å; K864-Q868 PolarHBondContact O-N 2.92Å |
| 865 | A | 51.2 | Low | 40.8 | Very low | 55 Ų | 55 | 113.7 Ų | 113.7 | 46% | 0.455 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.4 | -44.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | D861 E862 Q868 L869 | D861-A865 WeakPolarHBondContact O-CB 3.32Å; D861-A865 PolarHBondContact O-N 3.04Å; E862-A865 WeakPolarHBondContact O-CA 3.17Å; E862-A865 WeakPolarHBondContact O-CB 3.39Å; E862-A865 PolarHBondContact O-N 3.35Å; E862-A865 VanDerWaalsContact O-N 3.07Å; A865-Q868 CarbonylContact O-C 3.47Å; A865-Q868 WeakPolarHBondContact O-CB 3.29Å; A865-Q868 PolarHBondContact O-N 2.91Å; A865-L869 WeakPolarHBondContact O-CB 3.46Å; A865-L869 PolarHBondContact O-N 2.84Å |
| 866 | D | 47.4 | Very low | 41.1 | Very low | 92 Ų | 92 | 114.4 Ų | 114.4 | 49% | 0.492 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.7 | -43.8 | 175.2 | -90.8 | -12.1 | 0 | 0 | 0 | 112.5 | E862 Q868 L869 I870 | E862-D866 PolarHBondContact O-N 3.23Å; D866-Q868 VanDerWaalsContact C-N 3.31Å; D866-Q868 PolarHBondContact O-N 3.21Å; D866-L869 PolarHBondContact O-N 2.85Å; D866-L869 VanDerWaalsContact O-N 3.15Å; D866-I870 WeakPolarHBondContact O-CB 3.25Å; D866-I870 VanDerWaalsContact O-CG1 3.26Å; D866-I870 WeakPolarHBondContact O-CG1 3.47Å; D866-I870 PolarHBondContact O-N 3.43Å |
| 867 | I | 54 | Low | 41.3 | Very low | 97 Ų | 97 | 116.5 Ų | 116.5 | 50% | 0.497 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63 | -39.5 | 175.9 | -69.2 | 169.1 | 0 | 0 | 0 | 110.8 | M863 K864 I871 | M863-I867 HydrophobicContact CG-CD1 4.21Å; M863-I867 WeakPolarHBondContact O-CB 3.34Å; M863-I867 WeakPolarHBondContact O-CD1 3.4Å; M863-I867 VanDerWaalsContact O-CG1 3.25Å; M863-I867 WeakPolarHBondContact O-CG1 3.49Å; M863-I867 PolarHBondContact O-N 2.94Å; K864-I867 PolarHBondContact O-N 3.45Å; I867-I871 HydrophobicContact CG2-CD1 3.91Å; I867-I871 WeakPolarHBondContact O-CB 3.44Å; I867-I871 WeakPolarHBondContact O-CD1 3.43Å; I867-I871 WeakPolarHBondContact O-CG1 3.49Å; I867-I871 PolarHBondContact O-N 3Å; I867-I871 VanDerWaalsContact O-N 3.16Å |
| 868 | Q | 46.9 | Very low | 41.3 | Very low | 116 Ų | 116 | 114.1 Ų | 114.1 | 54% | 0.542 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.3 | -41.5 | 172 | -79.5 | -93.5 | -21.2 | 0 | 0 | 112.3 | K864 A865 D866 R872 | K864-Q868 WeakPolarHBondContact O-CB 3.28Å; K864-Q868 VanDerWaalsContact O-CG 3.28Å; K864-Q868 WeakPolarHBondContact O-CG 3.48Å; K864-Q868 PolarHBondContact O-N 2.92Å; A865-Q868 CarbonylContact O-C 3.47Å; A865-Q868 WeakPolarHBondContact O-CB 3.29Å; A865-Q868 PolarHBondContact O-N 2.91Å; D866-Q868 VanDerWaalsContact C-N 3.31Å; D866-Q868 PolarHBondContact O-N 3.21Å; Q868-R872 VanDerWaalsContact O-CB 3.24Å; Q868-R872 WeakPolarHBondContact O-CB 3.48Å; Q868-R872 PolarHBondContact O-N 3.49Å |
| 869 | L | 52.3 | Low | 41.4 | Very low | 105 Ų | 105 | 114.3 Ų | 114.3 | 55% | 0.55 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -76.5 | -39.3 | -174.2 | -169.5 | 142.9 | 0 | 0 | 0 | 111.8 | A865 D866 R872 K873 | A865-L869 WeakPolarHBondContact O-CB 3.46Å; A865-L869 PolarHBondContact O-N 2.84Å; D866-L869 PolarHBondContact O-N 2.85Å; D866-L869 VanDerWaalsContact O-N 3.15Å; L869-R872 PolarHBondContact O-N 2.95Å; L869-K873 WeakPolarHBondContact O-CB 3.19Å; L869-K873 PolarHBondContact O-N 3.2Å |
| 870 | I | 53.4 | Low | 41.3 | Very low | 107 Ų | 107 | 115.9 Ų | 115.9 | 55% | 0.549 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.4 | -47.6 | 170.9 | -68 | 164.9 | 0 | 0 | 0 | 110 | D866 R872 K873 E874 | D866-I870 WeakPolarHBondContact O-CB 3.25Å; D866-I870 VanDerWaalsContact O-CG1 3.26Å; D866-I870 WeakPolarHBondContact O-CG1 3.47Å; D866-I870 PolarHBondContact O-N 3.43Å; I870-R872 VanDerWaalsContact C-N 3.33Å; I870-R872 PolarHBondContact O-N 2.95Å; I870-K873 PolarHBondContact O-N 3.27Å; I870-E874 PolarHBondContact O-N 3.26Å |
| 871 | I | 50.6 | Low | 40.9 | Very low | 87 Ų | 87 | 120.6 Ų | 120.6 | 45% | 0.446 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.4 | -41.9 | 176.6 | -71.8 | 170.1 | 0 | 0 | 0 | 111 | I867 M875 | I867-I871 HydrophobicContact CG2-CD1 3.91Å; I867-I871 WeakPolarHBondContact O-CB 3.44Å; I867-I871 WeakPolarHBondContact O-CD1 3.43Å; I867-I871 WeakPolarHBondContact O-CG1 3.49Å; I867-I871 PolarHBondContact O-N 3Å; I867-I871 VanDerWaalsContact O-N 3.16Å; I871-M875 HydrophobicContact CG2-CE 3.9Å; I871-M875 HydrophobicContact CG2-SD 4.35Å; I871-M875 WeakPolarHBondContact O-CG 3.31Å; I871-M875 PolarHBondContact O-N 3.43Å; I871-M875 VanDerWaalsContact O-N 3.08Å |
| 872 | R | 43.7 | Very low | 40.4 | Very low | 165 Ų | 165 | 124.5 Ų | 124.5 | 62% | 0.623 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.8 | -34 | 178 | -165.7 | 178.2 | -59.7 | 175.8 | 4.5 | 113.2 | Q868 L869 I870 | Q868-R872 VanDerWaalsContact O-CB 3.24Å; Q868-R872 WeakPolarHBondContact O-CB 3.48Å; Q868-R872 PolarHBondContact O-N 3.49Å; L869-R872 PolarHBondContact O-N 2.95Å; I870-R872 VanDerWaalsContact C-N 3.33Å; I870-R872 PolarHBondContact O-N 2.95Å |
| 873 | K | 41.6 | Very low | 40.1 | Very low | 141 Ų | 141 | 121.9 Ų | 121.9 | 61% | 0.613 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.2 | -42.1 | 176.2 | -167.9 | 172.9 | -175.5 | 179.5 | 0 | 110.7 | L869 I870 S876 | L869-K873 WeakPolarHBondContact O-CB 3.19Å; L869-K873 PolarHBondContact O-N 3.2Å; I870-K873 PolarHBondContact O-N 3.27Å; K873-S876 WeakPolarHBondContact O-CB 3.39Å; K873-S876 PolarHBondContact O-N 3.32Å; K873-S876 VanDerWaalsContact O-N 3.09Å; K873-S876 PolarHBondContact O-OG 3.36Å |
| 874 | E | 41.3 | Very low | 39.8 | Very low | 90 Ų | 90 | 126.7 Ų | 126.7 | 42% | 0.421 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -74.1 | -29.5 | 179.2 | -136.2 | 70.1 | 131.9 | 0 | 0 | 113.1 | I870 S876 R877 | I870-E874 PolarHBondContact O-N 3.26Å; E874-S876 PolarHBondContact O-N 3Å; E874-S876 VanDerWaalsContact O-N 3.13Å; E874-R877 VanDerWaalsContact CD-NE 3.31Å; E874-R877 IonicContact OE1-CZ 2.89Å; E874-R877 IonicContact OE1-NE 3.23Å; E874-R877 IonicContact OE1-NH2 3.69Å; E874-R877 PolarHBondContact OE1-NH2 2.84Å; E874-R877 IonicContact OE2-CZ 2.71Å; E874-R877 VanDerWaalsContact OE2-CZ 3.27Å; E874-R877 IonicContact OE2-NE 3.87Å; E874-R877 PolarHBondContact OE2-NE 2.67Å; E874-R877 IonicContact OE2-NH2 3.44Å; E874-R877 PolarHBondContact OE2-NH2 3.47Å |
| 875 | M | 32.5 | Very low | 39.2 | Very low | 140 Ų | 140 | 130.8 Ų | 130.8 | 69% | 0.69 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 3.4 | 167.1 | -69.1 | -173.7 | -52 | 0 | 0 | 114.5 | I871 | I871-M875 HydrophobicContact CG2-CE 3.9Å; I871-M875 HydrophobicContact CG2-SD 4.35Å; I871-M875 WeakPolarHBondContact O-CG 3.31Å; I871-M875 PolarHBondContact O-N 3.43Å; I871-M875 VanDerWaalsContact O-N 3.08Å |
| 876 | S | 32.8 | Very low | 38 | Very low | 86 Ų | 86 | 131.5 Ų | 131.5 | 60% | 0.601 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | 0.2 | 178.2 | 76.6 | 0 | 0 | 0 | 0 | 115 | K873 E874 | K873-S876 WeakPolarHBondContact O-CB 3.39Å; K873-S876 PolarHBondContact O-N 3.32Å; K873-S876 VanDerWaalsContact O-N 3.09Å; K873-S876 PolarHBondContact O-OG 3.36Å; E874-S876 PolarHBondContact O-N 3Å; E874-S876 VanDerWaalsContact O-N 3.13Å |
| 877 | R | 31.7 | Very low | 37.2 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 55% | 0.547 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -74.4 | 140.4 | 178.4 | -61.6 | -166.6 | -172.5 | -155.1 | 11.7 | 111.8 | E874 Q879 | E874-R877 VanDerWaalsContact CD-NE 3.31Å; E874-R877 IonicContact OE1-CZ 2.89Å; E874-R877 IonicContact OE1-NE 3.23Å; E874-R877 IonicContact OE1-NH2 3.69Å; E874-R877 PolarHBondContact OE1-NH2 2.84Å; E874-R877 IonicContact OE2-CZ 2.71Å; E874-R877 VanDerWaalsContact OE2-CZ 3.27Å; E874-R877 IonicContact OE2-NE 3.87Å; E874-R877 PolarHBondContact OE2-NE 2.67Å; E874-R877 IonicContact OE2-NH2 3.44Å; E874-R877 PolarHBondContact OE2-NH2 3.47Å; R877-Q879 VanDerWaalsContact C-N 3.26Å; R877-Q879 PolarHBondContact O-N 2.92Å |
| 878 | P | 30.6 | Very low | 35.8 | Very low | 123 Ų | 123 | 132 Ų | 132 | 80% | 0.799 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 4.7 | -169.9 | -22.5 | 35.3 | 0 | 0 | 0 | 118.6 | ||
| 879 | Q | 31.6 | Very low | 35 | Very low | 153 Ų | 153 | 132.3 Ų | 132.3 | 72% | 0.715 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -21.2 | -177.3 | -77.1 | 179.5 | -18 | 0 | 0 | 114.2 | R877 K881 | R877-Q879 VanDerWaalsContact C-N 3.26Å; R877-Q879 PolarHBondContact O-N 2.92Å; Q879-K881 PolarHBondContact O-N 3.41Å |
| 880 | Y | 33.2 | Very low | 33.7 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 57% | 0.565 | 67% | 0.67 | S | S | * | * | trans | -87.3 | 69 | -175 | -69.2 | -74.9 | 0 | 0 | 0 | 113.6 | ||||
| 881 | K | 29.3 | Very low | 32.5 | Very low | 197 Ų | 197 | 140.2 Ų | 140.2 | 86% | 0.857 | 69% | 0.686 | S | S | * | * | trans | -121.1 | 13.2 | -178.8 | -139.4 | 178.1 | -176.5 | -179.6 | 0 | 116.3 | Q879 | Q879-K881 PolarHBondContact O-N 3.41Š| ||
| 882 | K | 28.3 | Very low | 31.2 | Very low | 195 Ų | 195 | 144.5 Ų | 144.5 | 85% | 0.848 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -105.7 | -25.6 | 170.5 | -82.2 | -170 | 171.8 | -173.8 | 0 | 114.5 | F884 | K882-F884 VanDerWaalsContact C-N 3.32Å; K882-F884 PolarHBondContact O-N 3.45Å |
| 883 | D | 30.4 | Very low | 30.4 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 56% | 0.556 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -83 | 0.9 | -163.6 | -49.1 | -57.1 | 0 | 0 | 0 | 115.7 | F885 Y886 | D883-F885 PolarHBondContact O-N 2.9Å; D883-Y886 PolarHBondContact O-N 3.38Å |
| 884 | F | 32.7 | Very low | 29.6 | Very low | 206 Ų | 206 | 141.6 Ų | 141.6 | 90% | 0.904 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -73.2 | 4 | -170.8 | -125.6 | -84.6 | 0 | 0 | 0 | 115.5 | K882 | K882-F884 VanDerWaalsContact C-N 3.32Å; K882-F884 PolarHBondContact O-N 3.45Å |
| 885 | F | 28.3 | Very low | 28.8 | Very low | 199 Ų | 199 | 143.8 Ų | 143.8 | 87% | 0.873 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -102.3 | 11.5 | 175.9 | -93.6 | -77.1 | 0 | 0 | 0 | 114.8 | D883 | D883-F885 PolarHBondContact O-N 2.9Š|
| 886 | Y | 26 | Very low | 28.4 | Very low | 70 Ų | 70 | 141.5 Ų | 141.5 | 28% | 0.275 | 73% | 0.728 | S | S | . | * | S | Bend | trans | -124.1 | 123.7 | 169.9 | -98.1 | -63.3 | 0 | 0 | 0 | 116.2 | R270 P271 M274 D883 | R270-Y886 VanDerWaalsContact C-OH 3.32Å; R270-Y886 HydrophobicContact CB-CE2 4.4Å; R270-Y886 WeakPolarHBondContact CB-OH 3.46Å; R270-Y886 HydrophobicContact CG-CE1 4.35Å; R270-Y886 WeakPolarHBondContact CG-OH 3.46Å; R270-Y886 VanDerWaalsContact NH1-CE1 3.26Å; P271-Y886 VanDerWaalsContact CA-OH 3.29Å; P271-Y886 WeakPolarHBondContact CA-OH 3.44Å; P271-Y886 HydrophobicContact CB-CE2 4.48Å; P271-Y886 WeakPolarHBondContact CB-OH 3.38Å; P271-Y886 VanDerWaalsContact CD-OH 3.24Å; P271-Y886 WeakPolarHBondContact CD-OH 3.4Å; P271-Y886 HydrophobicContact CG-CE2 4.28Å; M274-Y886 HydrophobicContact CE-CE1 4.17Å; M274-Y886 HydrophobicContact SD-CE1 4.15Å; M274-Y886 PolarHBondContact SD-OH 3.32Å; M274-Y886 VanDerWaalsContact SD-OH 3.4Å; D883-Y886 PolarHBondContact O-N 3.38Å |
| 887 | T | 30 | Very low | 28 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | trans | 68.6 | 109.9 | 175 | 68.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 888 | G | 25.3 | Very low | 27.7 | Very low | 72 Ų | 72 | 142.4 Ų | 142.4 | 74% | 0.742 | 74% | 0.742 | S | S | * | * | trans | -118.1 | 130.3 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 889 | P | 29.3 | Very low | 27.4 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 81% | 0.805 | 74% | 0.74 | S | S | * | * | trans | -82.1 | 129.3 | 164.7 | 31.9 | -29.8 | 0 | 0 | 0 | 109.4 | R891 | P889-R891 PolarHBondContact O-N 3.38Š| ||
| 890 | V | 24.8 | Very low | 27.1 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 86% | 0.861 | 74% | 0.737 | S | S | * | * | trans | -64.9 | 118.5 | 175.1 | 176.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 891 | R | 27.8 | Very low | 26.7 | Very low | 235 Ų | 235 | 137.9 Ų | 137.9 | 89% | 0.887 | 74% | 0.74 | S | S | * | * | trans | -133.8 | 120.6 | 157.8 | -109.7 | -173.6 | 177.2 | -168.8 | -1.5 | 109.8 | P889 V893 | P889-R891 PolarHBondContact O-N 3.38Å; R891-V893 PolarHBondContact O-N 3.17Å | ||
| 892 | Q | 23.7 | Very low | 26.5 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | trans | -64.7 | 125 | 165.9 | -64.7 | 164.7 | -64.6 | 0 | 0 | 108.6 | ||||
| 893 | V | 27.1 | Very low | 26.7 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 86% | 0.861 | 74% | 0.735 | S | S | * | * | trans | -122.4 | 126.2 | 144.1 | 179.3 | 0 | 0 | 0 | 0 | 105.4 | R891 | R891-V893 PolarHBondContact O-N 3.17Š| ||
| 894 | V | 24.5 | Very low | 26.4 | Very low | 103 Ų | 103 | 138.4 Ų | 138.4 | 62% | 0.624 | 75% | 0.746 | S | S | * | * | trans | -98 | 147.8 | -175.7 | 166.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 895 | D | 24.9 | Very low | 26.3 | Very low | 137 Ų | 137 | 133.4 Ų | 133.4 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | trans | 77 | 110 | 164.8 | -78.4 | -38.1 | 0 | 0 | 0 | 122 | ||||
| 896 | S | 23.9 | Very low | 26.4 | Very low | 92 Ų | 92 | 131.3 Ų | 131.3 | 64% | 0.643 | 73% | 0.731 | S | S | * | * | 66.2 | 107 | 111.5 | -59.8 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 897 | S | 24.1 | Very low | 26.3 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | 79.7 | 148.9 | 79.2 | 88 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 898 | M | 26 | Very low | 26.3 | Very low | 148 Ų | 148 | 135.1 Ų | 135.1 | 73% | 0.729 | 75% | 0.753 | S | S | * | * | cis | -154.1 | 143.4 | 28.9 | -100.3 | -134.1 | 167.2 | 0 | 0 | 110.9 | ||||
| 899 | L | 25 | Very low | 26.4 | Very low | 142 Ų | 142 | 140.2 Ų | 140.2 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | 63.1 | 159 | 99.7 | -83.1 | 77.9 | 0 | 0 | 0 | 117.8 | |||||
| 900 | S | 24.2 | Very low | 26.3 | Very low | 94 Ų | 94 | 142.1 Ų | 142.1 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | cis | 174.9 | 172.5 | -23.7 | -178 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 901 | S | 25.9 | Very low | 26.3 | Very low | 89 Ų | 89 | 139.9 Ų | 139.9 | 62% | 0.622 | 75% | 0.748 | S | S | * | * | trans | 84 | 160.4 | 151 | 85.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 902 | K | 25 | Very low | 26.3 | Very low | 174 Ų | 174 | 136.3 Ų | 136.3 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | cis | -138.6 | -174.9 | 18.2 | -118.7 | 134.7 | -168.1 | 173.5 | 0 | 110.1 | ||||
| 903 | Q | 31.7 | Very low | 26.3 | Very low | 181 Ų | 181 | 134.7 Ų | 134.7 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | cis | -155.4 | 174.2 | 24.7 | -151.7 | 138.4 | -24.4 | 0 | 0 | 113.4 | ||||
| 904 | L | 23.7 | Very low | 26.2 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | trans | -157.1 | 149.6 | -174.3 | -139.3 | 172 | 0 | 0 | 0 | 109.9 | ||||
| 905 | P | 31 | Very low | 26.4 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 66% | 0.662 | 74% | 0.742 | S | S | * | * | trans | -125.8 | 125.6 | 155.5 | 12.4 | 10.2 | 0 | 0 | 0 | 112.8 | ||||
| 906 | I | 29.9 | Very low | 26.3 | Very low | 155 Ų | 155 | 136 Ų | 136 | 80% | 0.795 | 74% | 0.744 | S | S | * | * | 80 | 131.7 | 93.5 | -68.8 | 166.7 | 0 | 0 | 0 | 113.8 | |||||
| 907 | S | 25 | Very low | 26.2 | Very low | 97 Ų | 97 | 138.8 Ų | 138.8 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | cis | -175.1 | 146.5 | -21.2 | -89.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 908 | H | 29.4 | Very low | 26.5 | Very low | 179 Ų | 179 | 140.1 Ų | 140.1 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | trans | -164.6 | 153.9 | 132 | -120.8 | -110.3 | 0 | 0 | 0 | 112.5 | ||||
| 909 | K | 28.3 | Very low | 26.4 | Very low | 179 Ų | 179 | 136.6 Ų | 136.6 | 78% | 0.778 | 75% | 0.751 | S | S | * | * | trans | -43.6 | 148.7 | -171.6 | -62.1 | 165.7 | -175.3 | 176.6 | 0 | 114.7 | ||||
| 910 | L | 25.8 | Very low | 26.5 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 86% | 0.859 | 75% | 0.751 | S | S | * | * | cis | -141 | 149 | 41.5 | -162.7 | 74.4 | 0 | 0 | 0 | 114.6 | ||||
| 911 | S | 24.8 | Very low | 26.5 | Very low | 95 Ų | 95 | 137.9 Ų | 137.9 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | trans | -84 | 166.4 | 171.9 | 51.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 912 | I | 27.6 | Very low | 26.6 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 82% | 0.815 | 77% | 0.765 | S | S | * | * | -165.4 | 142.7 | 88.3 | -89.8 | 166.2 | 0 | 0 | 0 | 110.3 | |||||
| 913 | N | 25.3 | Very low | 26.6 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -92.3 | 167.8 | 167.2 | -93.2 | -48.2 | 0 | 0 | 0 | 110.9 | ||||
| 914 | L | 25 | Very low | 26.4 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | trans | 10.1 | 138 | 153 | -89.3 | 66.5 | 0 | 0 | 0 | 118.3 | ||||
| 915 | P | 27.8 | Very low | 26.4 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | -158.4 | 170 | 70.9 | 43.5 | -23.9 | 0 | 0 | 0 | 119.3 | |||||
| 916 | I | 24.1 | Very low | 26.5 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | 28 | 141.4 | 125.9 | -45.1 | 166.2 | 0 | 0 | 0 | 119.4 | |||||
| 917 | L | 21.7 | Very low | 26.3 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | trans | -48.9 | 131.3 | 164.4 | -79.2 | 75.8 | 0 | 0 | 0 | 113.4 | ||||
| 918 | P | 29.1 | Very low | 26.5 | Very low | 131 Ų | 131 | 144 Ų | 144 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | -81.9 | 127.9 | 143.6 | 32.5 | -27.9 | 0 | 0 | 0 | 109.2 | ||||
| 919 | A | 25 | Very low | 26.3 | Very low | 73 Ų | 73 | 140 Ų | 140 | 60% | 0.603 | 77% | 0.766 | S | S | * | * | trans | -113.5 | 170.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 920 | T | 26 | Very low | 26.2 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | trans | 60.1 | 117.7 | 159.4 | 53.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 921 | V | 25.6 | Very low | 26.1 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | S | Bend | -127.5 | 135.3 | 118.6 | 176 | 0 | 0 | 0 | 0 | 107.1 | |||
| 922 | A | 27.5 | Very low | 26 | Very low | 86 Ų | 86 | 134.7 Ų | 134.7 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | 37.3 | 102.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 923 | D | 24.3 | Very low | 25.9 | Very low | 134 Ų | 134 | 131.4 Ų | 131.4 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | cis | 69.1 | 103.3 | 32.9 | -143.2 | -1.3 | 0 | 0 | 0 | 115.4 | ||||
| 924 | N | 28.1 | Very low | 25.7 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 90% | 0.904 | 76% | 0.759 | S | S | * | * | trans | -167.2 | 97.6 | 148.3 | -107.5 | -34.3 | 0 | 0 | 0 | 111.1 | ||||
| 925 | R | 22.6 | Very low | 25.6 | Very low | 227 Ų | 227 | 134 Ų | 134 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | trans | -83.6 | -179 | 159.3 | -91.5 | -178.7 | 175.1 | -174.8 | 1 | 108.8 | ||||
| 926 | P | 34.1 | Very low | 25.7 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | cis | -150.8 | -175.9 | 23.6 | 45.4 | -25 | 0 | 0 | 0 | 119.1 | ||||
| 927 | N | 26.4 | Very low | 25.7 | Very low | 144 Ų | 144 | 135.4 Ų | 135.4 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | 74.9 | 149.6 | 151.6 | -67.2 | -28.6 | 0 | 0 | 0 | 118.5 | ||||
| 928 | R | 27.7 | Very low | 25.8 | Very low | 218 Ų | 218 | 132.9 Ų | 132.9 | 82% | 0.823 | 76% | 0.759 | S | S | * | * | cis | -154.7 | 143.2 | 13.9 | -144 | -178.4 | -164.7 | 172.8 | 3.6 | 113.1 | ||||
| 929 | S | 25.9 | Very low | 25.6 | Very low | 94 Ų | 94 | 132.6 Ų | 132.6 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | trans | 49.9 | 149 | 142.6 | 56.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 930 | S | 25 | Very low | 25.6 | Very low | 100 Ų | 100 | 136 Ų | 136 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | cis | -173.5 | 146.4 | -13.9 | -91.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 931 | T | 24.2 | Very low | 25.6 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | trans | 45.5 | 132.8 | 143.1 | 62.6 | 0 | 0 | 0 | 0 | 124 | ||||
| 932 | A | 24 | Very low | 25.6 | Very low | 94 Ų | 94 | 137.8 Ų | 137.8 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | 125.7 | 110 | 122.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 933 | A | 23.6 | Very low | 26 | Very low | 91 Ų | 91 | 137.9 Ų | 137.9 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | 63.4 | 131.3 | 125.9 | 0 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 934 | F | 22.2 | Very low | 26.1 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | trans | 87.7 | 142.1 | 136.2 | -103.9 | -118.9 | 0 | 0 | 0 | 123.2 | ||||
| 935 | R | 23.2 | Very low | 26.2 | Very low | 189 Ų | 189 | 137.6 Ų | 137.6 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | trans | 70.8 | 127.9 | 154.5 | -89.8 | 172.6 | -160.8 | 179 | 10.2 | 121.7 | ||||
| 936 | L | 28.9 | Very low | 26.2 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | trans | -64.5 | 151.5 | 137.7 | -71.2 | 91.6 | 0 | 0 | 0 | 109.2 | ||||
| 937 | P | 25.5 | Very low | 25.9 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 84% | 0.844 | 75% | 0.752 | S | S | * | * | -139.7 | 170 | 107.6 | 39.1 | -28.8 | 0 | 0 | 0 | 113.8 | |||||
| 938 | S | 23.2 | Very low | 25.7 | Very low | 96 Ų | 96 | 139.8 Ų | 139.8 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | trans | -111.6 | 140.6 | 179.8 | 54 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 939 | T | 24.6 | Very low | 25.9 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 76% | 0.761 | 75% | 0.746 | S | S | * | * | trans | 69.6 | 161 | 146.2 | 54.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 940 | I | 25.5 | Very low | 25.8 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | trans | 109.3 | 94.5 | 165.5 | -60 | 169.4 | 0 | 0 | 0 | 112.4 | ||||
| 941 | I | 25.8 | Very low | 25.8 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 67% | 0.667 | 75% | 0.752 | S | S | * | * | 87.3 | 125.8 | 58.6 | -67.2 | 161.5 | 0 | 0 | 0 | 113.1 | |||||
| 942 | H | 25.8 | Very low | 25.7 | Very low | 172 Ų | 172 | 139.2 Ų | 139.2 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | -176.4 | 160.9 | 128.3 | -102.4 | -78 | 0 | 0 | 0 | 110.5 | |||||
| 943 | P | 35.9 | Very low | 25.7 | Very low | 89 Ų | 89 | 140.5 Ų | 140.5 | 58% | 0.578 | 75% | 0.752 | S | S | * | * | -147.9 | -134.2 | -127.4 | 41.1 | -14.4 | 0 | 0 | 0 | 114.2 | |||||
| 944 | D | 25.8 | Very low | 25.7 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | trans | 81.9 | 113.7 | 161.4 | -63.4 | -40.8 | 0 | 0 | 0 | 120.2 | ||||
| 945 | I | 29.5 | Very low | 26 | Very low | 169 Ų | 169 | 144 Ų | 144 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | -162.7 | 159.6 | 95.5 | -92.8 | 163.5 | 0 | 0 | 0 | 109.7 | |||||
| 946 | K | 23.5 | Very low | 26 | Very low | 177 Ų | 177 | 142.4 Ų | 142.4 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | -100.9 | 154.8 | -170.9 | -55.7 | 170.4 | -179 | 174.2 | 0 | 113.1 | ||||
| 947 | L | 27.4 | Very low | 26 | Very low | 170 Ų | 170 | 143.5 Ų | 143.5 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | 164.3 | 155.6 | 117 | -90.3 | 149.4 | 0 | 0 | 0 | 114.5 | |||||
| 948 | Q | 22 | Very low | 25.9 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | -125.2 | -177.9 | 161.1 | -62.2 | -173.6 | -16.6 | 0 | 0 | 106.7 | ||||
| 949 | P | 32.6 | Very low | 25.9 | Very low | 103 Ų | 103 | 145 Ų | 145 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | cis | -142.1 | -170.2 | 4.4 | 45.1 | -25.6 | 0 | 0 | 0 | 116.8 | ||||
| 950 | E | 22.5 | Very low | 26.1 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 77% | 0.771 | 78% | 0.777 | S | S | * | * | trans | 79.6 | 140.6 | 148.2 | -83.3 | -176.8 | -160.6 | 0 | 0 | 125.6 | ||||
| 951 | H | 25.7 | Very low | 26 | Very low | 154 Ų | 154 | 144 Ų | 144 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | 56.6 | 108.6 | 150.8 | -81.3 | -62.3 | 0 | 0 | 0 | 125.5 | ||||
| 952 | C | 22.1 | Very low | 26.1 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 75% | 0.75 | 79% | 0.792 | S | S | * | * | 73.2 | 146.7 | 124.4 | -92.4 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 953 | S | 24 | Very low | 26.1 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | 86.8 | 158.3 | 156.5 | 80 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 954 | Q | 23.9 | Very low | 25.7 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | trans | -89.6 | 153.9 | -162.3 | -56.3 | 152.9 | -32.6 | 0 | 0 | 112.2 | ||||
| 955 | T | 27.7 | Very low | 25.6 | Very low | 146 Ų | 146 | 143.3 Ų | 143.3 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | -170.4 | 158.1 | 119.1 | 15.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 956 | N | 23.2 | Very low | 25.4 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | -86.2 | 146.2 | 177.8 | -58.8 | -66.1 | 0 | 0 | 0 | 111.5 | ||||
| 957 | L | 29 | Very low | 25.5 | Very low | 181 Ų | 181 | 140 Ų | 140 | 95% | 0.948 | 79% | 0.785 | S | S | * | * | trans | -142.5 | 157.9 | 141.3 | -134.5 | 97 | 0 | 0 | 0 | 109.2 | ||||
| 958 | S | 23 | Very low | 25.7 | Very low | 94 Ų | 94 | 138.4 Ų | 138.4 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | trans | -149.5 | 173.5 | -158.3 | 58.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 959 | I | 24.3 | Very low | 26 | Very low | 163 Ų | 163 | 138 Ų | 138 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | 75.7 | 109.5 | 165.9 | -53.5 | 158.7 | 0 | 0 | 0 | 116.4 | ||||
| 960 | A | 28.9 | Very low | 25.8 | Very low | 95 Ų | 95 | 142.4 Ų | 142.4 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | -167.1 | 136.3 | 120.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 961 | N | 23.8 | Very low | 26.2 | Very low | 152 Ų | 152 | 141.1 Ų | 141.1 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -97.5 | 145.2 | 174.2 | -68.7 | -31.4 | 0 | 0 | 0 | 111.1 | ||||
| 962 | S | 27.7 | Very low | 26.3 | Very low | 128 Ų | 128 | 139 Ų | 139 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | trans | -170.9 | 167 | 135.9 | 33.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 963 | S | 25 | Very low | 26.7 | Very low | 99 Ų | 99 | 140 Ų | 140 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | trans | -113.9 | 170.3 | -161.6 | 53.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 964 | N | 27.2 | Very low | 26.8 | Very low | 138 Ų | 138 | 138.6 Ų | 138.6 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | 101.4 | 121.8 | 149 | -70.4 | -13.1 | 0 | 0 | 0 | 121.6 | ||||
| 965 | L | 25.3 | Very low | 27.1 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 73% | 0.728 | 78% | 0.779 | S | S | * | * | trans | 79.7 | 109.3 | 142.9 | -85.7 | 85.8 | 0 | 0 | 0 | 123.2 | ||||
| 966 | F | 25.3 | Very low | 27.1 | Very low | 173 Ų | 173 | 135.1 Ų | 135.1 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | 88.7 | 111.2 | 123.3 | -91.7 | -119.6 | 0 | 0 | 0 | 124.2 | |||||
| 967 | T | 25.2 | Very low | 27.4 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 64% | 0.638 | 78% | 0.777 | S | S | * | * | trans | 62.8 | 116 | 131.6 | 55.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 968 | N | 31.1 | Very low | 27.5 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | -171.1 | 115.5 | 108.3 | -92.5 | -27.3 | 0 | 0 | 0 | 109.4 | |||||
| 969 | Q | 28.3 | Very low | 27.8 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | 94.2 | 114.3 | 76.5 | -88.9 | -165.9 | 6.3 | 0 | 0 | 113.8 | |||||
| 970 | F | 29.4 | Very low | 28.2 | Very low | 195 Ų | 195 | 131.3 Ų | 131.3 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -163.8 | 86.2 | 134.9 | -116.9 | -71.9 | 0 | 0 | 0 | 113.6 | ||||
| 971 | I | 29.2 | Very low | 28.2 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 70% | 0.703 | 78% | 0.781 | S | S | * | * | trans | 36.6 | 116.1 | 143.3 | -46.5 | 173 | 0 | 0 | 0 | 120.6 | ||||
| 972 | P | 27.8 | Very low | 28.3 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 163.8 | 132.6 | 36.2 | -31.1 | 0 | 0 | 0 | 111.8 | ||
| 973 | P | 30.8 | Very low | 28.2 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 84% | 0.844 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 151 | -177.4 | 29.8 | -35.4 | 0 | 0 | 0 | 113.6 | ||
| 974 | A | 27.5 | Very low | 28.2 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 145.1 | -163.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 975 | P | 29.5 | Very low | 28.2 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 148.2 | 154.6 | 34.9 | -31 | 0 | 0 | 0 | 111.3 | ||
| 976 | C | 27 | Very low | 28.1 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 91% | 0.912 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -85 | 130.3 | -179.9 | -60.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 977 | P | 29.9 | Very low | 28.2 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -106.8 | 145.8 | 177.2 | 37.3 | -30.9 | 0 | 0 | 0 | 114 | ||||
| 978 | S | 32.1 | Very low | 28.3 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | trans | -145.1 | 76.2 | 165.5 | 63.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 979 | I | 29.6 | Very low | 28.1 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | trans | 22.7 | 140 | 146.3 | -67.8 | 174.2 | 0 | 0 | 0 | 120.1 | ||||
| 980 | P | 32.3 | Very low | 28 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -110.2 | -175.2 | -158.2 | 44 | -35.9 | 0 | 0 | 0 | 115.6 | ||||
| 981 | L | 28.7 | Very low | 27.9 | Very low | 176 Ų | 176 | 131 Ų | 131 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | trans | -121.9 | 162.1 | 156.7 | -135.1 | 77.4 | 0 | 0 | 0 | 110.5 | ||||
| 982 | N | 24.7 | Very low | 28.1 | Very low | 134 Ų | 134 | 128.2 Ų | 128.2 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | trans | -139.4 | 164.3 | -164.9 | -168.5 | 17.3 | 0 | 0 | 0 | 112.8 | ||||
| 983 | N | 26.6 | Very low | 28 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 67% | 0.668 | 74% | 0.743 | S | S | * | * | trans | 70.8 | 144.6 | 179.2 | -59.9 | -32.2 | 0 | 0 | 0 | 114.8 | ||||
| 984 | Q | 25.6 | Very low | 27.7 | Very low | 146 Ų | 146 | 126.4 Ų | 126.4 | 68% | 0.682 | 73% | 0.73 | S | S | * | * | cis | -164.7 | 172.2 | 7.6 | -134.5 | -179.7 | 45.8 | 0 | 0 | 112.9 | ||||
| 985 | Q | 27.2 | Very low | 27.6 | Very low | 167 Ų | 167 | 124.8 Ų | 124.8 | 78% | 0.78 | 72% | 0.722 | S | S | * | * | trans | 76.1 | 167.8 | 157.9 | -67.4 | 175.5 | 39.6 | 0 | 0 | 119.2 | ||||
| 986 | S | 23 | Very low | 27.6 | Very low | 103 Ų | 103 | 127 Ų | 127 | 72% | 0.72 | 73% | 0.726 | S | S | * | * | trans | -168.5 | -178.4 | -138.7 | 50.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 987 | I | 26 | Very low | 27.7 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | trans | 79.5 | 120.7 | 163.9 | -26.4 | -179.3 | 0 | 0 | 0 | 118.6 | ||||
| 988 | V | 27.5 | Very low | 27.6 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | 155.6 | 105.6 | 121.4 | 169.2 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 989 | H | 26.6 | Very low | 27.2 | Very low | 156 Ų | 156 | 131.3 Ų | 131.3 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | trans | 43.5 | 121.7 | 146.5 | -71.3 | -68.6 | 0 | 0 | 0 | 126.6 | ||||
| 990 | N | 26.4 | Very low | 26.9 | Very low | 137 Ų | 137 | 129.1 Ų | 129.1 | 73% | 0.733 | 72% | 0.717 | S | S | * | * | trans | 80 | 172.4 | 131.8 | -64.8 | 17.7 | 0 | 0 | 0 | 121.8 | ||||
| 991 | V | 28.7 | Very low | 26.8 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 59% | 0.588 | 72% | 0.719 | S | S | * | * | cis | 163 | 153.7 | -44.4 | 111.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 992 | P | 33.2 | Very low | 27.2 | Very low | 80 Ų | 80 | 126.5 Ų | 126.5 | 52% | 0.519 | 71% | 0.708 | S | S | . | * | cis | -137.4 | -171.5 | -16.3 | 43.9 | -25.8 | 0 | 0 | 0 | 116.8 | F1501 | P992-F1501 CarbonylContact C-O 2.9Š| ||
| 993 | L | 25.1 | Very low | 27.4 | Very low | 111 Ų | 111 | 128 Ų | 128 | 58% | 0.581 | 72% | 0.715 | S | S | * | * | trans | 90 | 98.8 | 157.3 | -97.4 | 75.5 | 0 | 0 | 0 | 126.9 | F1501 S1502 | L993-F1501 VanDerWaalsContact C-C 3.41Å; L993-F1501 CarbonylContact C-O 2.93Å; L993-F1501 VanDerWaalsContact CA-O 3.24Å; L993-F1501 WeakPolarHBondContact CA-O 3.47Å; L993-F1501 PolarHBondContact N-O 2.95Å; L993-S1502 CarbonylContact C-O 3.42Å; L993-S1502 WeakPolarHBondContact CA-O 3.21Å; L993-S1502 PolarHBondContact N-O 3.08Å; L993-S1502 VanDerWaalsContact N-O 3.09Å | ||
| 994 | T | 25.1 | Very low | 27.5 | Very low | 92 Ų | 92 | 124.8 Ų | 124.8 | 56% | 0.564 | 71% | 0.712 | S | S | * | * | trans | 76.9 | 138.2 | 143.5 | 48.7 | 0 | 0 | 0 | 0 | 123.6 | M1499 I1500 F1501 S1502 | T994-M1499 CarbonylContact O-C 3.49Å; T994-I1500 CarbonylContact O-C 3.19Å; T994-I1500 WeakPolarHBondContact O-CA 3.37Å; T994-I1500 PolarHBondContact O-N 2.99Å; T994-F1501 VanDerWaalsContact N-C 3.25Å; T994-F1501 PolarHBondContact N-O 3.48Å; T994-F1501 PolarHBondContact O-N 2.97Å; T994-S1502 PolarHBondContact N-O 3.08Å | ||
| 995 | G | 25.8 | Very low | 27.6 | Very low | 58 Ų | 58 | 123.2 Ų | 123.2 | 60% | 0.598 | 72% | 0.717 | S | S | * | * | trans | 151.1 | 112.2 | 160 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 996 | L | 28.7 | Very low | 27.6 | Very low | 165 Ų | 165 | 121.6 Ų | 121.6 | 86% | 0.864 | 71% | 0.714 | S | S | * | * | trans | -98 | 153.5 | 169.2 | -101.4 | 158.1 | 0 | 0 | 0 | 110.5 | ||||
| 997 | P | 29.2 | Very low | 28 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 81% | 0.805 | 71% | 0.712 | S | S | * | * | -148.6 | 179.9 | 118 | 38.1 | -21.5 | 0 | 0 | 0 | 115.3 | |||||
| 998 | Q | 26.7 | Very low | 28 | Very low | 187 Ų | 187 | 121.8 Ų | 121.8 | 87% | 0.874 | 71% | 0.707 | S | S | * | * | trans | -96.9 | 170.7 | -175.8 | -70.7 | -178.6 | -30.1 | 0 | 0 | 115.1 | ||||
| 999 | F | 24.4 | Very low | 27.9 | Very low | 153 Ų | 153 | 122.8 Ų | 122.8 | 67% | 0.671 | 70% | 0.703 | S | S | * | * | trans | -58.3 | 146.4 | 178.5 | -74.5 | -103.4 | 0 | 0 | 0 | 116 | M295 | M295-F999 HydrophobicContact CE-CE1 4.44Å; M295-F999 HydrophobicContact CE-CZ 4.39Å | ||
| 1000 | S | 23.8 | Very low | 27.9 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | trans | -154 | 135.8 | 143.1 | 54.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1001 | V | 29.3 | Very low | 27.9 | Very low | 124 Ų | 124 | 122.3 Ų | 122.3 | 75% | 0.752 | 71% | 0.708 | S | S | * | * | trans | -160.9 | 147.3 | -170.3 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1002 | P | 38.6 | Very low | 27.8 | Very low | 109 Ų | 109 | 121.9 Ų | 121.9 | 71% | 0.708 | 72% | 0.715 | S | S | * | * | cis | -102.7 | -162.5 | -35.1 | 33.4 | -14.8 | 0 | 0 | 0 | 108.4 | ||||
| 1003 | L | 28.8 | Very low | 27.5 | Very low | 164 Ų | 164 | 125.9 Ų | 125.9 | 86% | 0.859 | 73% | 0.732 | S | S | * | * | cis | -116.2 | -180 | 0.3 | -76.5 | 91.5 | 0 | 0 | 0 | 108.2 | ||||
| 1004 | G | 28.2 | Very low | 27.6 | Very low | 58 Ų | 58 | 126.6 Ų | 126.6 | 60% | 0.598 | 74% | 0.736 | S | S | * | * | cis | 125.1 | 77.4 | 10.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1005 | S | 28.2 | Very low | 27.6 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | 91.4 | 148.5 | 85 | 71.2 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1006 | N | 27.1 | Very low | 27.6 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | cis | -157.8 | -178.5 | 12.7 | -147.9 | -11.4 | 0 | 0 | 0 | 111.8 | ||||
| 1007 | I | 31 | Very low | 27.6 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | trans | 75.5 | 108.1 | 161.7 | -63.1 | 153.7 | 0 | 0 | 0 | 114.2 | ||||
| 1008 | N | 26.6 | Very low | 27.3 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 64% | 0.642 | 75% | 0.748 | S | S | * | * | 79.6 | 141.7 | 65.9 | -72.1 | -12.1 | 0 | 0 | 0 | 113 | |||||
| 1009 | Q | 24.4 | Very low | 27.3 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | cis | -164.9 | -159.7 | -5 | -122.7 | 173.1 | -8.1 | 0 | 0 | 110 | ||||
| 1010 | Y | 27.4 | Very low | 27.4 | Very low | 213 Ų | 213 | 132.4 Ų | 132.4 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | trans | 77.4 | 123.9 | 170.6 | -52.3 | -80.2 | 0 | 0 | 0 | 115.6 | ||||
| 1011 | G | 26.5 | Very low | 27.3 | Very low | 70 Ų | 70 | 132 Ų | 132 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | cis | 85.5 | 109.5 | -6.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1012 | A | 26.2 | Very low | 27.3 | Very low | 89 Ų | 89 | 132.8 Ų | 132.8 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | trans | -146.5 | 136.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1013 | N | 26.4 | Very low | 26.8 | Very low | 164 Ų | 164 | 130.7 Ų | 130.7 | 88% | 0.877 | 75% | 0.748 | S | S | * | * | trans | -143.4 | 139.2 | 147.6 | -134.8 | -16 | 0 | 0 | 0 | 106.8 | ||||
| 1014 | N | 27.9 | Very low | 26.7 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 67% | 0.668 | 75% | 0.745 | S | S | * | * | trans | -98.6 | 170.3 | -146.8 | -56.9 | -39.8 | 0 | 0 | 0 | 114.4 | ||||
| 1015 | N | 23.9 | Very low | 26.7 | Very low | 157 Ų | 157 | 136.1 Ų | 136.1 | 84% | 0.84 | 75% | 0.748 | S | S | * | * | -164.8 | 162.1 | 118 | -101 | -26.7 | 0 | 0 | 0 | 115.3 | |||||
| 1016 | S | 27.3 | Very low | 26.7 | Very low | 96 Ų | 96 | 136.7 Ų | 136.7 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | trans | 62.1 | 101.7 | 168.3 | 56.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 1017 | D | 27.8 | Very low | 26.8 | Very low | 139 Ų | 139 | 136.4 Ų | 136.4 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | 60.4 | 149.8 | 119.6 | -64.4 | -61.8 | 0 | 0 | 0 | 122.5 | |||||
| 1018 | R | 23.5 | Very low | 26.7 | Very low | 216 Ų | 216 | 134.4 Ų | 134.4 | 82% | 0.815 | 74% | 0.735 | S | S | * | * | cis | -176.6 | 172.1 | -20.5 | -172.6 | 164.8 | 172.4 | 173.8 | -1.7 | 108.7 | ||||
| 1019 | I | 26.4 | Very low | 26.7 | Very low | 137 Ų | 137 | 136 Ų | 136 | 70% | 0.703 | 74% | 0.739 | S | S | * | * | trans | 109.3 | 127.4 | 155 | -59.1 | 178.7 | 0 | 0 | 0 | 116.9 | ||||
| 1020 | D | 26 | Very low | 26.7 | Very low | 156 Ų | 156 | 133.9 Ų | 133.9 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | trans | 64.8 | 166.1 | 161.6 | -63.8 | -10.1 | 0 | 0 | 0 | 122.4 | ||||
| 1021 | S | 22.5 | Very low | 26.7 | Very low | 109 Ų | 109 | 129.1 Ų | 129.1 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | trans | -155 | 159.6 | -149.3 | 62.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1022 | V | 28.5 | Very low | 26.6 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 86% | 0.855 | 73% | 0.734 | S | S | * | * | trans | 160.2 | 123.5 | 142.7 | 154.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1023 | G | 28.5 | Very low | 26.4 | Very low | 65 Ų | 65 | 134.5 Ų | 134.5 | 67% | 0.67 | 73% | 0.732 | S | S | * | * | trans | 73 | 153 | 158.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1024 | Y | 26.3 | Very low | 26.2 | Very low | 205 Ų | 205 | 132.2 Ų | 132.2 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | cis | -159 | 122.3 | -9.8 | -142.3 | -95.2 | 0 | 0 | 0 | 109.6 | ||||
| 1025 | I | 28.7 | Very low | 26 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 67% | 0.667 | 74% | 0.735 | S | S | * | * | trans | 61.1 | 118.8 | 158.1 | -74.4 | -177.9 | 0 | 0 | 0 | 116.9 | ||||
| 1026 | N | 27.2 | Very low | 25.9 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 68% | 0.679 | 73% | 0.732 | S | S | * | * | 65.2 | 149.7 | 65.8 | -70.9 | 26.8 | 0 | 0 | 0 | 111.8 | |||||
| 1027 | N | 29.5 | Very low | 26 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 67% | 0.674 | 74% | 0.736 | S | S | * | * | cis | -162.7 | 175.3 | -0.3 | -107.5 | 7.1 | 0 | 0 | 0 | 105.6 | ||||
| 1028 | T | 29 | Very low | 25.8 | Very low | 93 Ų | 93 | 131 Ų | 131 | 57% | 0.571 | 74% | 0.738 | S | S | * | * | cis | -163.3 | 174.6 | -3.2 | 17.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1029 | E | 27 | Very low | 25.8 | Very low | 152 Ų | 152 | 125.6 Ų | 125.6 | 71% | 0.71 | 73% | 0.734 | S | S | * | * | cis | -129.9 | 151.2 | -4.3 | -109.6 | 99.7 | -148.5 | 0 | 0 | 106 | ||||
| 1030 | S | 24 | Very low | 25.7 | Very low | 101 Ų | 101 | 124.1 Ų | 124.1 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | 63.8 | 143.5 | 63.1 | 120.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1031 | V | 28.8 | Very low | 25.7 | Very low | 113 Ų | 113 | 125 Ų | 125 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | cis | -158.1 | 134.1 | 0.4 | 116.3 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1032 | E | 22.6 | Very low | 25.8 | Very low | 159 Ų | 159 | 127.5 Ų | 127.5 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | 84.1 | 127.3 | 71.1 | -131.9 | -176.5 | -159.7 | 0 | 0 | 116 | |||||
| 1033 | T | 23.6 | Very low | 25.6 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 70% | 0.699 | 72% | 0.719 | S | S | * | * | trans | 58.4 | 112.1 | 156 | 47.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1034 | S | 20.9 | Very low | 25.4 | Very low | 115 Ų | 115 | 125.2 Ų | 125.2 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | 82.1 | 169.7 | 122.8 | 82 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1035 | A | 24.2 | Very low | 25.3 | Very low | 96 Ų | 96 | 119.9 Ų | 119.9 | 79% | 0.793 | 71% | 0.705 | S | S | * | * | trans | 81.5 | 143.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1036 | T | 21.7 | Very low | 25.3 | Very low | 128 Ų | 128 | 119.6 Ų | 119.6 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | trans | -75.1 | 169.3 | 170.6 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1037 | P | 30.3 | Very low | 25.2 | Very low | 115 Ų | 115 | 121.4 Ų | 121.4 | 75% | 0.747 | 70% | 0.702 | S | S | * | * | cis | -135.8 | -146.6 | -46.2 | 40.7 | -22.3 | 0 | 0 | 0 | 109.8 | ||||
| 1038 | L | 22.3 | Very low | 25.1 | Very low | 153 Ų | 153 | 121.2 Ų | 121.2 | 80% | 0.801 | 70% | 0.7 | S | S | * | * | trans | 95.3 | 140 | 156 | -149.8 | 78.3 | 0 | 0 | 0 | 119.5 | ||||
| 1039 | S | 24.1 | Very low | 25 | Very low | 102 Ų | 102 | 123 Ų | 123 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | trans | 63.2 | 120.5 | 152.6 | 48.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1040 | N | 24.3 | Very low | 24.9 | Very low | 107 Ų | 107 | 120.7 Ų | 120.7 | 57% | 0.572 | 71% | 0.705 | S | S | * | * | trans | -51 | 151.1 | 159.8 | -45.6 | -44.2 | 0 | 0 | 0 | 114.2 | I1424 | N1040-I1424 WeakPolarHBondContact ND2-CD1 3.41Š| ||
| 1041 | Q | 26.2 | Very low | 24.9 | Very low | 173 Ų | 173 | 122.7 Ų | 122.7 | 81% | 0.808 | 71% | 0.708 | S | S | * | * | -164.5 | 176.6 | 110.3 | -111.1 | -176.1 | -2.7 | 0 | 0 | 113.1 | |||||
| 1042 | L | 24.6 | Very low | 24.8 | Very low | 163 Ų | 163 | 125 Ų | 125 | 85% | 0.853 | 71% | 0.711 | S | S | * | * | trans | -95.5 | 131.7 | -163.5 | -78.1 | 70.5 | 0 | 0 | 0 | 114.9 | ||||
| 1043 | G | 24.5 | Very low | 24.8 | Very low | 60 Ų | 60 | 121.6 Ų | 121.6 | 62% | 0.619 | 71% | 0.705 | S | S | * | * | trans | 71 | 160.2 | 155.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | I1396 | G1043-I1396 WeakPolarHBondContact O-CD1 3.21Š| ||
| 1044 | L | 23.5 | Very low | 25 | Very low | 97 Ų | 97 | 122.4 Ų | 122.4 | 51% | 0.508 | 71% | 0.71 | S | S | . | * | cis | 175.6 | 44 | -8.1 | -161.6 | 73.1 | 0 | 0 | 0 | 113.8 | N1394 T1395 I1396 | L1044-N1394 HydrophobicContact CD2-CB 4.06Å; L1044-N1394 HydrophobicContact CG-CB 4.25Å; L1044-T1395 CarbonylContact O-C 3.47Å; L1044-T1395 VanDerWaalsContact O-C 3.28Å; L1044-T1395 WeakPolarHBondContact O-CA 3.49Å; L1044-T1395 WeakPolarHBondContact O-CB 3.26Å; L1044-T1395 WeakPolarHBondContact O-CG2 3.21Å; L1044-I1396 HydrophobicContact CB-CG1 3.99Å; L1044-I1396 PolarHBondContact O-N 2.88Å | ||
| 1045 | S | 24.7 | Very low | 25.4 | Very low | 94 Ų | 94 | 124.6 Ų | 124.6 | 66% | 0.657 | 71% | 0.711 | S | S | * | * | B | Isolated β-bridge | trans | -78.2 | 128.3 | -145.1 | -168.3 | 0 | 0 | 0 | 0 | 124.8 | ||
| 1046 | Q | 27.7 | Very low | 25.5 | Very low | 123 Ų | 123 | 125.6 Ų | 125.6 | 58% | 0.575 | 71% | 0.708 | S | S | * | * | trans | 175.7 | 128.5 | 151.5 | -32.6 | 167.5 | 100.6 | 0 | 0 | 109.9 | T1395 I1396 | Q1046-T1395 WeakPolarHBondContact CB-OG1 3.35Å; Q1046-T1395 HydrophobicContact CG-CG2 4.14Å; Q1046-T1395 VanDerWaalsContact CG-OG1 3.3Å; Q1046-T1395 WeakPolarHBondContact CG-OG1 3.48Å; Q1046-T1395 VanDerWaalsContact N-CB 3.33Å; Q1046-T1395 PolarHBondContact NE2-OG1 3.42Å; Q1046-T1395 CarbonylContact O-C 3.59Å; Q1046-T1395 VanDerWaalsContact O-C 3.27Å; Q1046-T1395 PolarHBondContact O-OG1 3.25Å; Q1046-I1396 CarbonylContact C-O 3.59Å; Q1046-I1396 WeakPolarHBondContact CA-O 3.37Å; Q1046-I1396 PolarHBondContact N-O 3.41Å; Q1046-I1396 VanDerWaalsContact N-O 3.12Å; Q1046-I1396 CarbonylContact O-C 3.48Å | ||
| 1047 | K | 26.5 | Very low | 25.7 | Very low | 166 Ų | 166 | 127.1 Ų | 127.1 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | -176.3 | 133.7 | 99.1 | -163.7 | 171.5 | -169.4 | 176.9 | 0 | 114.4 | I1396 S1397 | K1047-I1396 PolarHBondContact N-O 2.93Å; K1047-S1397 PolarHBondContact N-O 3.27Å; K1047-S1397 VanDerWaalsContact N-O 3.11Å; K1047-S1397 VanDerWaalsContact O-O 3.13Å | |||
| 1048 | I | 27.6 | Very low | 25.6 | Very low | 122 Ų | 122 | 127 Ų | 127 | 63% | 0.626 | 72% | 0.719 | S | S | * | * | trans | -131 | 128.9 | 162.1 | -63.8 | 179.3 | 0 | 0 | 0 | 108.1 | P1398 | I1048-P1398 HydrophobicContact CD1-CG 3.51Å; I1048-P1398 HydrophobicContact CG1-CG 3.36Å | ||
| 1049 | D | 25 | Very low | 25.7 | Very low | 131 Ų | 131 | 123.3 Ų | 123.3 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | trans | 29.4 | 135.6 | 148.3 | -47.6 | -21.9 | 0 | 0 | 0 | 120.8 | ||||
| 1050 | C | 25.2 | Very low | 25.7 | Very low | 102 Ų | 102 | 126.1 Ų | 126.1 | 69% | 0.689 | 73% | 0.725 | S | S | * | * | cis | 69.7 | 139.8 | 49 | -61.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1051 | D | 24.3 | Very low | 25.6 | Very low | 143 Ų | 143 | 128.8 Ų | 128.8 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | cis | -153.8 | -166.3 | -13.1 | -117.7 | -65.5 | 0 | 0 | 0 | 107.5 | ||||
| 1052 | E | 26.4 | Very low | 25.4 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | cis | -150.9 | -162.7 | 17 | -147.4 | -108.5 | 93.4 | 0 | 0 | 110.5 | ||||
| 1053 | S | 23.8 | Very low | 25.4 | Very low | 88 Ų | 88 | 131.7 Ų | 131.7 | 62% | 0.615 | 73% | 0.734 | S | S | * | * | trans | -107.4 | -178.9 | -173.6 | 78 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1054 | T | 28 | Very low | 25.4 | Very low | 132 Ų | 132 | 137.2 Ų | 137.2 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | trans | -158.2 | 146.6 | 160.9 | -23 | 0 | 0 | 0 | 0 | 115 | ||||
| 1055 | I | 29.1 | Very low | 25.6 | Very low | 161 Ų | 161 | 138.7 Ų | 138.7 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | trans | 79.1 | 134.2 | 167.1 | -49.8 | -174.8 | 0 | 0 | 0 | 116.5 | ||||
| 1056 | T | 26.7 | Very low | 25.5 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | trans | -142.4 | 152.1 | -163.1 | 44.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1057 | N | 25.1 | Very low | 25.5 | Very low | 159 Ų | 159 | 144.5 Ų | 144.5 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | 47.5 | 113.6 | 144.9 | -59.3 | -13.6 | 0 | 0 | 0 | 122 | ||||
| 1058 | A | 27.9 | Very low | 25.6 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 93% | 0.926 | 77% | 0.767 | S | S | * | * | trans | -138.8 | 161.7 | 135.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1059 | G | 25.4 | Very low | 25.6 | Very low | 76 Ų | 76 | 141 Ų | 141 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | trans | -151.7 | -171.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1060 | L | 23.4 | Very low | 25.8 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | 83.1 | 122.2 | 172.9 | -139 | 80 | 0 | 0 | 0 | 119.2 | ||||
| 1061 | Q | 22.1 | Very low | 25.7 | Very low | 164 Ų | 164 | 141.6 Ų | 141.6 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | trans | 76 | 134.6 | 145.8 | -99 | 177.3 | -10.4 | 0 | 0 | 122.9 | ||||
| 1062 | R | 21.7 | Very low | 25.7 | Very low | 221 Ų | 221 | 143.8 Ų | 143.8 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | 66.2 | 157.9 | 171.5 | -57 | -174.9 | 177.7 | -159.1 | -2.2 | 113.7 | ||||
| 1063 | Q | 25.2 | Very low | 25.7 | Very low | 176 Ų | 176 | 138.8 Ų | 138.8 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | cis | -145.1 | 163.8 | 6.1 | -151.9 | 154.9 | -33.5 | 0 | 0 | 109.9 | ||||
| 1064 | Q | 24 | Very low | 25.9 | Very low | 175 Ų | 175 | 141.4 Ų | 141.4 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -109.5 | 137.8 | 175.1 | -151 | -177.7 | 3.2 | 0 | 0 | 111.2 | ||||
| 1065 | L | 28.1 | Very low | 25.6 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | trans | 47.9 | 126.5 | 158.1 | -119.8 | 71.9 | 0 | 0 | 0 | 121.9 | E1067 | L1065-E1067 HydrophobicContact CD2-CG 3.98Å; L1065-E1067 HydrophobicContact CG-CG 4.37Å | ||
| 1066 | Q | 22.3 | Very low | 25.4 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | -153.3 | 120.8 | 135.7 | -125 | 170.1 | -8.8 | 0 | 0 | 105.5 | ||||
| 1067 | E | 26.9 | Very low | 25.3 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | cis | 63.9 | 142.5 | 43.4 | -74 | -162.5 | -170.5 | 0 | 0 | 116 | L1065 | L1065-E1067 HydrophobicContact CD2-CG 3.98Å; L1065-E1067 HydrophobicContact CG-CG 4.37Å | ||
| 1068 | G | 28.7 | Very low | 25.2 | Very low | 68 Ų | 68 | 142.4 Ų | 142.4 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | 172.5 | 151.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1069 | L | 27.6 | Very low | 25.1 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | cis | -170.4 | 157.3 | -12.8 | -144.4 | 72.8 | 0 | 0 | 0 | 106.2 | ||||
| 1070 | I | 30 | Very low | 25.1 | Very low | 136 Ų | 136 | 144.9 Ų | 144.9 | 70% | 0.697 | 77% | 0.768 | S | S | * | * | cis | -144 | 173.8 | 6.8 | -7.6 | 175.9 | 0 | 0 | 0 | 105.1 | ||||
| 1071 | D | 23.9 | Very low | 25.1 | Very low | 110 Ų | 110 | 144.7 Ų | 144.7 | 59% | 0.588 | 77% | 0.773 | S | S | * | * | cis | -158.9 | 170.1 | -0.1 | -136.1 | -16.9 | 0 | 0 | 0 | 104.8 | ||||
| 1072 | F | 23.4 | Very low | 25.2 | Very low | 189 Ų | 189 | 140.2 Ų | 140.2 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | cis | -138.3 | 172.5 | 9.6 | -56 | -87.4 | 0 | 0 | 0 | 108.3 | ||||
| 1073 | G | 25.7 | Very low | 25.4 | Very low | 56 Ų | 56 | 134.1 Ų | 134.1 | 58% | 0.577 | 77% | 0.768 | S | S | * | * | cis | 137.1 | 130.4 | -5.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1074 | V | 28.1 | Very low | 25.4 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 87% | 0.873 | 76% | 0.763 | S | S | * | * | trans | 67.8 | 113.7 | -178.1 | -168.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1075 | D | 21.6 | Very low | 25.5 | Very low | 139 Ų | 139 | 130.4 Ų | 130.4 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | cis | 90.4 | 136.5 | 22.1 | -148.9 | 15.3 | 0 | 0 | 0 | 115.1 | ||||
| 1076 | I | 26.1 | Very low | 25.4 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 67% | 0.672 | 77% | 0.765 | S | S | * | * | trans | 83 | 137.6 | 165.4 | -62.6 | 168.5 | 0 | 0 | 0 | 121.2 | ||||
| 1077 | D | 25 | Very low | 25.7 | Very low | 154 Ų | 154 | 126.5 Ų | 126.5 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | trans | 76.2 | 140.5 | 159.5 | -71.1 | -13 | 0 | 0 | 0 | 125 | ||||
| 1078 | D | 22.9 | Very low | 25.5 | Very low | 166 Ų | 166 | 125.5 Ų | 125.5 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | trans | -74.4 | 160.7 | 177.8 | -60.2 | -76.4 | 0 | 0 | 0 | 114 | ||||
| 1079 | G | 24.5 | Very low | 25.5 | Very low | 70 Ų | 70 | 128.8 Ų | 128.8 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | 176.1 | 108.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1080 | D | 25.7 | Very low | 25.7 | Very low | 169 Ų | 169 | 128.1 Ų | 128.1 | 90% | 0.904 | 76% | 0.757 | S | S | * | * | trans | 40.5 | 115.2 | 154.2 | -62.8 | -19 | 0 | 0 | 0 | 121.8 | ||||
| 1081 | V | 23.2 | Very low | 25.7 | Very low | 158 Ų | 158 | 127.5 Ų | 127.5 | 96% | 0.958 | 75% | 0.753 | S | S | * | * | trans | -100.8 | 129.6 | 155.9 | 172.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1082 | G | 25 | Very low | 25.7 | Very low | 70 Ų | 70 | 129.1 Ų | 129.1 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | 139.8 | 91.4 | 152.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1083 | A | 25.8 | Very low | 26 | Very low | 93 Ų | 93 | 126.8 Ų | 126.8 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | -157.2 | 132.3 | 137.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1084 | V | 25.5 | Very low | 26.1 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | cis | 76.5 | 125.9 | 35.1 | -172.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 1085 | E | 24.6 | Very low | 26.1 | Very low | 153 Ų | 153 | 133 Ų | 133 | 72% | 0.715 | 77% | 0.766 | S | S | * | * | cis | -160.9 | -163.6 | 29.6 | -151.8 | 152.4 | -134.7 | 0 | 0 | 114.4 | ||||
| 1086 | L | 27.3 | Very low | 26.4 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | 88.5 | 116.2 | 159.9 | -47.4 | -177.2 | 0 | 0 | 0 | 116.7 | ||||
| 1087 | G | 27.4 | Very low | 26.6 | Very low | 67 Ų | 67 | 135.1 Ų | 135.1 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | cis | -167.5 | 141.6 | -7.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1088 | L | 24 | Very low | 26.6 | Very low | 142 Ų | 142 | 134.7 Ų | 134.7 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | 88.8 | 141 | 68 | -83.3 | 177.7 | 0 | 0 | 0 | 113.9 | |||||
| 1089 | D | 28.8 | Very low | 27 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | 67.4 | 136.5 | 168.9 | -40.7 | -24.4 | 0 | 0 | 0 | 117 | ||||
| 1090 | D | 30.3 | Very low | 27.1 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | cis | -162.5 | 148.6 | -3.1 | -125.1 | -8 | 0 | 0 | 0 | 113.1 | ||||
| 1091 | I | 30.3 | Very low | 27.3 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 63% | 0.626 | 76% | 0.761 | S | S | * | * | trans | 60.5 | 114.3 | 143.8 | -65.4 | 164.2 | 0 | 0 | 0 | 122 | ||||
| 1092 | D | 25 | Very low | 27.6 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | 42.5 | 159.2 | 126.4 | -35.3 | -23.8 | 0 | 0 | 0 | 121.6 | |||||
| 1093 | I | 29.5 | Very low | 27.6 | Very low | 140 Ų | 140 | 140.9 Ų | 140.9 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | cis | -149.1 | 140 | 21 | -56 | 162.2 | 0 | 0 | 0 | 109.8 | ||||
| 1094 | E | 27.6 | Very low | 27.7 | Very low | 195 Ų | 195 | 144.1 Ų | 144.1 | 91% | 0.911 | 75% | 0.754 | S | S | * | * | trans | -177.7 | 101.9 | 130 | -104.8 | 178.8 | -160.6 | 0 | 0 | 110 | ||||
| 1095 | D | 28.3 | Very low | 28 | Very low | 136 Ų | 136 | 146 Ų | 146 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -90.1 | 156.1 | 179.8 | -58.2 | -72.6 | 0 | 0 | 0 | 112.8 | ||||
| 1096 | E | 27.6 | Very low | 28.3 | Very low | 176 Ų | 176 | 145.6 Ų | 145.6 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | 60.4 | 143.2 | 153.4 | -68.5 | 169.1 | 173.7 | 0 | 0 | 117.9 | ||||
| 1097 | D | 29.2 | Very low | 28.4 | Very low | 139 Ų | 139 | 145 Ų | 145 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | cis | -152.6 | 177 | 15.1 | -139.3 | -14.3 | 0 | 0 | 0 | 113.6 | ||||
| 1098 | D | 26.2 | Very low | 28.7 | Very low | 144 Ų | 144 | 148.4 Ų | 148.4 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | -35.5 | 138.6 | 178.2 | -88.6 | -35.8 | 0 | 0 | 0 | 118.4 | ||||
| 1099 | N | 31.8 | Very low | 29 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 68% | 0.684 | 76% | 0.762 | S | S | * | * | -163.2 | 137.9 | 100.1 | -166 | 15.1 | 0 | 0 | 0 | 112.9 | D1101 | N1099-D1101 PolarHBondContact ND2-OD2 3.32Š| |||
| 1100 | R | 26.2 | Very low | 29.3 | Very low | 227 Ų | 227 | 147.7 Ų | 147.7 | 86% | 0.857 | 75% | 0.753 | S | S | * | * | trans | -111.7 | 95.5 | 169.9 | -77.8 | -172.2 | 178.8 | -174.2 | 3.4 | 111 | ||||
| 1101 | D | 29.6 | Very low | 29.3 | Very low | 145 Ų | 145 | 144.8 Ų | 144.8 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | trans | -96.5 | 104.5 | 164.4 | -85.7 | -58.2 | 0 | 0 | 0 | 110.9 | N1099 | N1099-D1101 PolarHBondContact ND2-OD2 3.32Š| ||
| 1102 | T | 28.8 | Very low | 29.6 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | -132.3 | 107.1 | 174.7 | -63.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1103 | I | 26.3 | Very low | 29.9 | Very low | 149 Ų | 149 | 147.2 Ų | 147.2 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | trans | 51.7 | 107.2 | 156.8 | -51.6 | 169.4 | 0 | 0 | 0 | 116.1 | ||||
| 1104 | L | 28.1 | Very low | 30.2 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 84% | 0.843 | 74% | 0.737 | S | S | * | * | trans | -127.8 | 100.7 | 141.4 | -104.4 | 164.2 | 0 | 0 | 0 | 108.2 | ||||
| 1105 | M | 31.2 | Very low | 30.7 | Very low | 159 Ų | 159 | 143.3 Ų | 143.3 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | trans | -89.9 | 158.2 | 152.9 | -75.8 | -170.1 | 167.8 | 0 | 0 | 107.7 | D1107 | M1105-D1107 PolarHBondContact O-N 3.43Š| ||
| 1106 | N | 30.9 | Very low | 31.3 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | trans | -74.8 | 116.2 | -174.6 | -61 | -24.5 | 0 | 0 | 0 | 111.2 | D1108 | N1106-D1108 PolarHBondContact O-N 2.86Š| ||
| 1107 | D | 30.1 | Very low | 31.9 | Very low | 144 Ų | 144 | 139.7 Ų | 139.7 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 63.8 | 175.2 | -71.9 | -34.7 | 0 | 0 | 0 | 112.3 | M1105 | M1105-D1107 PolarHBondContact O-N 3.43Š|
| 1108 | D | 32 | Very low | 32.2 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 74% | 0.743 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.4 | -29.6 | 173.9 | -89.8 | -53 | 0 | 0 | 0 | 113.7 | N1106 | N1106-D1108 PolarHBondContact O-N 2.86Š|
| 1109 | D | 30.7 | Very low | 33 | Very low | 145 Ų | 145 | 138 Ų | 138 | 78% | 0.775 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -87.9 | -15.5 | -173.4 | -75.7 | -54.7 | 0 | 0 | 0 | 115.5 | A1111 | D1109-A1111 PolarHBondContact O-N 3.24Š|
| 1110 | E | 34.6 | Very low | 33.5 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 55% | 0.551 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -76 | -8.3 | -175.2 | -148 | -176.6 | -167.9 | 0 | 0 | 114 | V1112 T1114 | E1110-V1112 VanDerWaalsContact C-N 3.33Å; E1110-V1112 PolarHBondContact O-N 3.49Å; E1110-T1114 HydrophobicContact CG-CG2 4.15Å; E1110-T1114 PolarHBondContact O-OG1 2.95Å |
| 1111 | A | 32.1 | Very low | 34.3 | Very low | 70 Ų | 70 | 130.6 Ų | 130.6 | 58% | 0.579 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -70.8 | -21.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1109 | D1109-A1111 PolarHBondContact O-N 3.24Š|
| 1112 | V | 36.4 | Very low | 35 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 70% | 0.703 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -42.2 | -174.3 | -177.9 | 0 | 0 | 0 | 0 | 112.2 | E1110 | E1110-V1112 VanDerWaalsContact C-N 3.33Å; E1110-V1112 PolarHBondContact O-N 3.49Å |
| 1113 | Y | 31.1 | Very low | 35.7 | Very low | 201 Ų | 201 | 124.7 Ų | 124.7 | 79% | 0.788 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -38 | -175.2 | -94.2 | -86.9 | 0 | 0 | 0 | 114 | R1115 C1116 | Y1113-R1115 PolarHBondContact O-N 2.83Å; Y1113-R1115 VanDerWaalsContact O-N 3.16Å; Y1113-C1116 PolarHBondContact O-N 3.18Å |
| 1114 | T | 34.7 | Very low | 36.8 | Very low | 66 Ų | 66 | 121.4 Ų | 121.4 | 41% | 0.405 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -63.7 | -22.3 | -177.2 | 50.1 | 0 | 0 | 0 | 0 | 113.6 | E1110 C1116 | E1110-T1114 HydrophobicContact CG-CG2 4.15Å; E1110-T1114 PolarHBondContact O-OG1 2.95Å; T1114-C1116 VanDerWaalsContact C-N 3.31Å; T1114-C1116 PolarHBondContact O-N 3.49Å |
| 1115 | R | 38.5 | Very low | 37.8 | Very low | 188 Ų | 188 | 122.9 Ų | 122.9 | 71% | 0.709 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.2 | -26.1 | 178.3 | -152.6 | 165.9 | -172.5 | 159 | -1.8 | 113.3 | Y1113 | Y1113-R1115 PolarHBondContact O-N 2.83Å; Y1113-R1115 VanDerWaalsContact O-N 3.16Å |
| 1116 | C | 40.5 | Very low | 38.5 | Very low | 93 Ų | 93 | 119.2 Ų | 119.2 | 63% | 0.628 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -76.2 | -41.1 | 178.6 | -171.1 | 0 | 0 | 0 | 0 | 112.5 | Y1113 T1114 K1118 C1119 F1120 | Y1113-C1116 PolarHBondContact O-N 3.18Å; T1114-C1116 VanDerWaalsContact C-N 3.31Å; T1114-C1116 PolarHBondContact O-N 3.49Å; C1116-K1118 VanDerWaalsContact C-N 3.34Å; C1116-K1118 PolarHBondContact O-N 3.28Å; C1116-C1119 PolarHBondContact O-N 3.41Å; C1116-F1120 PolarHBondContact O-N 2.77Å |
| 1117 | Q | 40.9 | Very low | 38.7 | Very low | 143 Ų | 143 | 114 Ų | 114 | 67% | 0.668 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69.2 | -29.1 | -172.2 | -167.9 | 166.3 | -6.5 | 0 | 0 | 113.6 | F1120 D1121 | Q1117-F1120 PolarHBondContact O-N 3.45Å; Q1117-D1121 PolarHBondContact O-N 3.18Å |
| 1118 | K | 36.5 | Very low | 39.3 | Very low | 168 Ų | 168 | 111.7 Ų | 111.7 | 73% | 0.73 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.1 | -32.5 | 173.9 | -71.1 | -178.1 | 178.7 | 175.1 | 0 | 112.9 | C1116 F1120 H1122 | C1116-K1118 VanDerWaalsContact C-N 3.34Å; C1116-K1118 PolarHBondContact O-N 3.28Å; K1118-F1120 VanDerWaalsContact C-N 3.32Å; K1118-H1122 VanDerWaalsContact O-CB 3.31Å; K1118-H1122 WeakPolarHBondContact O-CB 3.39Å; K1118-H1122 PolarHBondContact O-N 2.84Å |
| 1119 | C | 42.4 | Very low | 39.7 | Very low | 78 Ų | 78 | 108.5 Ų | 108.5 | 53% | 0.527 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67 | -35 | 171.9 | -63.5 | 0 | 0 | 0 | 0 | 111.8 | C1116 H1122 C1123 | C1116-C1119 PolarHBondContact O-N 3.41Å; C1119-H1122 PolarHBondContact O-N 3.5Å; C1119-C1123 PolarHBondContact O-N 3.12Å; C1119-C1123 PolarHBondContact O-SG 2.92Å; C1119-C1123 VanDerWaalsContact O-SG 3.34Å |
| 1120 | F | 41.2 | Very low | 40.2 | Very low | 127 Ų | 127 | 103.6 Ų | 103.6 | 56% | 0.557 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.8 | -49.7 | 178.1 | -167.5 | -100.7 | 0 | 0 | 0 | 112.6 | C1116 Q1117 K1118 H1122 C1123 I1124 | C1116-F1120 PolarHBondContact O-N 2.77Å; Q1117-F1120 PolarHBondContact O-N 3.45Å; K1118-F1120 VanDerWaalsContact C-N 3.32Å; F1120-H1122 VanDerWaalsContact C-N 3.29Å; F1120-H1122 PolarHBondContact O-N 2.89Å; F1120-C1123 PolarHBondContact O-N 3.38Å; F1120-I1124 HydrophobicContact CD1-CD1 3.79Å; F1120-I1124 HydrophobicContact CE1-CD1 3.5Å; F1120-I1124 HydrophobicContact CZ-CD1 4.09Å; F1120-I1124 WeakPolarHBondContact O-CG1 3.02Å; F1120-I1124 PolarHBondContact O-N 3.48Å |
| 1121 | D | 43.2 | Very low | 40.6 | Very low | 73 Ų | 73 | 105.5 Ų | 105.5 | 39% | 0.39 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.8 | -30.3 | 177.7 | -150.7 | 67.5 | 0 | 0 | 0 | 112.1 | Q1117 I1124 R1125 | Q1117-D1121 PolarHBondContact O-N 3.18Å; D1121-I1124 PolarHBondContact O-N 2.98Å; D1121-R1125 WeakPolarHBondContact O-CG 3.45Å; D1121-R1125 PolarHBondContact O-N 3.17Å; D1121-R1125 IonicContact OD2-CZ 3.36Å; D1121-R1125 VanDerWaalsContact OD2-CZ 3.31Å; D1121-R1125 IonicContact OD2-NE 3.68Å; D1121-R1125 PolarHBondContact OD2-NE 3.16Å; D1121-R1125 IonicContact OD2-NH2 3.08Å; D1121-R1125 PolarHBondContact OD2-NH2 2.83Å |
| 1122 | H | 44.5 | Very low | 40.8 | Very low | 58 Ų | 58 | 109.7 Ų | 109.7 | 27% | 0.269 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.4 | -43.9 | 174.8 | -169.9 | 9 | 0 | 0 | 0 | 112 | K1118 C1119 F1120 I1124 R1125 L1126 Y1389 | K1118-H1122 VanDerWaalsContact O-CB 3.31Å; K1118-H1122 WeakPolarHBondContact O-CB 3.39Å; K1118-H1122 PolarHBondContact O-N 2.84Å; C1119-H1122 PolarHBondContact O-N 3.5Å; F1120-H1122 VanDerWaalsContact C-N 3.29Å; F1120-H1122 PolarHBondContact O-N 2.89Å; H1122-I1124 VanDerWaalsContact C-N 3.32Å; H1122-I1124 PolarHBondContact O-N 2.91Å; H1122-R1125 PolarHBondContact O-N 2.92Å; H1122-L1126 WeakPolarHBondContact ND1-CD1 3.5Å; H1122-L1126 PolarHBondContact O-N 3.41Å; H1122-Y1389 AromaticContact CD2-CE2 3.91Å; H1122-Y1389 AromaticContact CD2-CZ 3.57Å; H1122-Y1389 PolarHBondContact CD2-OH 2.92Å; H1122-Y1389 AromaticContact CE1-CD1 3.87Å; H1122-Y1389 AromaticContact CE1-CE1 3.36Å; H1122-Y1389 WeakPolarHBondContact CE1-CE1 3.26Å; H1122-Y1389 AromaticContact CE1-CZ 3.61Å; H1122-Y1389 AromaticContact CG-CZ 3.98Å; H1122-Y1389 AromaticContact ND1-CE1 3.9Å; H1122-Y1389 AromaticContact ND1-CZ 3.99Å; H1122-Y1389 AromaticContact NE2-CD1 3.96Å; H1122-Y1389 AromaticContact NE2-CE1 3.53Å; H1122-Y1389 AromaticContact NE2-CE2 3.62Å; H1122-Y1389 AromaticContact NE2-CZ 3.33Å; H1122-Y1389 VanDerWaalsContact NE2-CZ 3.33Å |
| 1123 | C | 43.8 | Very low | 40.7 | Very low | 79 Ų | 79 | 106.9 Ų | 106.9 | 53% | 0.534 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.5 | -39.1 | 175.1 | -72.3 | 0 | 0 | 0 | 0 | 112.6 | C1119 F1120 R1125 C1127 | C1119-C1123 PolarHBondContact O-N 3.12Å; C1119-C1123 PolarHBondContact O-SG 2.92Å; C1119-C1123 VanDerWaalsContact O-SG 3.34Å; F1120-C1123 PolarHBondContact O-N 3.38Å; C1123-R1125 VanDerWaalsContact C-N 3.28Å; C1123-R1125 PolarHBondContact O-N 3.31Å; C1123-C1127 PolarHBondContact O-N 3.22Å |
| 1124 | I | 49.1 | Very low | 41.2 | Very low | 79 Ų | 79 | 101 Ų | 101 | 41% | 0.405 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.1 | -29.1 | 179.8 | -72.1 | 171 | 0 | 0 | 0 | 112.3 | F1120 D1121 H1122 | F1120-I1124 HydrophobicContact CD1-CD1 3.79Å; F1120-I1124 HydrophobicContact CE1-CD1 3.5Å; F1120-I1124 HydrophobicContact CZ-CD1 4.09Å; F1120-I1124 WeakPolarHBondContact O-CG1 3.02Å; F1120-I1124 PolarHBondContact O-N 3.48Å; D1121-I1124 PolarHBondContact O-N 2.98Å; H1122-I1124 VanDerWaalsContact C-N 3.32Å; H1122-I1124 PolarHBondContact O-N 2.91Å |
| 1125 | R | 48.8 | Very low | 41.3 | Very low | 193 Ų | 193 | 108.2 Ų | 108.2 | 73% | 0.728 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -87.8 | -23.3 | -177.9 | -68.9 | -179.8 | -166.7 | -129.5 | 3.1 | 115.1 | D1121 H1122 C1123 | D1121-R1125 WeakPolarHBondContact O-CG 3.45Å; D1121-R1125 PolarHBondContact O-N 3.17Å; D1121-R1125 IonicContact OD2-CZ 3.36Å; D1121-R1125 VanDerWaalsContact OD2-CZ 3.31Å; D1121-R1125 IonicContact OD2-NE 3.68Å; D1121-R1125 PolarHBondContact OD2-NE 3.16Å; D1121-R1125 IonicContact OD2-NH2 3.08Å; D1121-R1125 PolarHBondContact OD2-NH2 2.83Å; H1122-R1125 PolarHBondContact O-N 2.92Å; C1123-R1125 VanDerWaalsContact C-N 3.28Å; C1123-R1125 PolarHBondContact O-N 3.31Å |
| 1126 | L | 46.4 | Very low | 41.4 | Very low | 82 Ų | 82 | 104 Ų | 104 | 43% | 0.429 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -97.3 | -24.3 | -178.8 | -84.9 | 64.8 | 0 | 0 | 0 | 113.3 | H1122 Y1391 | H1122-L1126 WeakPolarHBondContact ND1-CD1 3.5Å; H1122-L1126 PolarHBondContact O-N 3.41Å; L1126-Y1391 HydrophobicContact CD2-CD2 4.33Å; L1126-Y1391 HydrophobicContact CD2-CE2 3.6Å; L1126-Y1391 HydrophobicContact CG-CE2 3.8Å; L1126-Y1391 WeakPolarHBondContact CG-OH 3.44Å |
| 1127 | C | 36.2 | Very low | 41.7 | Very low | 35 Ų | 35 | 108.3 Ų | 108.3 | 24% | 0.236 | 57% | 0.566 | C | S | . | * | trans | -114 | 103.3 | -177.6 | -168.5 | 0 | 0 | 0 | 0 | 111.6 | C1123 S1129 A1130 | C1123-C1127 PolarHBondContact O-N 3.22Å; C1127-S1129 PolarHBondContact O-N 3.29Å; C1127-S1129 PolarHBondContact SG-OG 2.65Å; C1127-S1129 VanDerWaalsContact SG-OG 3.34Å; C1127-A1130 PolarHBondContact O-N 3.14Å | ||
| 1128 | G | 42.6 | Very low | 42.2 | Very low | 95 Ų | 95 | 105.3 Ų | 105.3 | 98% | 0.979 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 7.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1129 | S | 40 | Very low | 43.1 | Very low | 71 Ų | 71 | 101.3 Ų | 101.3 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.9 | 44.8 | -179.3 | 53.6 | 0 | 0 | 0 | 0 | 111.6 | C1127 L1131 F1132 | C1127-S1129 PolarHBondContact O-N 3.29Å; C1127-S1129 PolarHBondContact SG-OG 2.65Å; C1127-S1129 VanDerWaalsContact SG-OG 3.34Å; S1129-L1131 PolarHBondContact O-N 3.37Å; S1129-F1132 PolarHBondContact O-N 3.25Å |
| 1130 | A | 41.2 | Very low | 43.6 | Very low | 42 Ų | 42 | 100.4 Ų | 100.4 | 35% | 0.347 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -51.1 | -21.6 | -175 | 0 | 0 | 0 | 0 | 0 | 116.2 | C1127 F1132 | C1127-A1130 PolarHBondContact O-N 3.14Å; A1130-F1132 VanDerWaalsContact C-N 3.29Å; A1130-F1132 PolarHBondContact O-N 3.25Å |
| 1131 | L | 42.6 | Very low | 44.3 | Very low | 158 Ų | 158 | 95.6 Ų | 95.6 | 83% | 0.827 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.1 | -23.5 | 172.7 | -90.5 | 161.5 | 0 | 0 | 0 | 114.2 | S1129 | S1129-L1131 PolarHBondContact O-N 3.37Å |
| 1132 | F | 36.3 | Very low | 44.9 | Very low | 159 Ų | 159 | 96.8 Ų | 96.8 | 70% | 0.697 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -98.7 | -39.3 | -179.6 | -123.7 | -96.2 | 0 | 0 | 0 | 112.9 | S1129 A1130 C1134 W1135 T1136 | S1129-F1132 PolarHBondContact O-N 3.25Å; A1130-F1132 VanDerWaalsContact C-N 3.29Å; A1130-F1132 PolarHBondContact O-N 3.25Å; F1132-C1134 VanDerWaalsContact C-N 3.31Å; F1132-C1134 PolarHBondContact O-N 2.98Å; F1132-W1135 WeakPolarHBondContact O-CB 3.3Å; F1132-W1135 PolarHBondContact O-N 2.85Å; F1132-T1136 PolarHBondContact O-N 3.47Å |
| 1133 | C | 34.9 | Very low | 45.5 | Very low | 57 Ų | 57 | 97.2 Ų | 97.2 | 39% | 0.385 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.8 | -30.2 | -179.4 | -97.5 | 0 | 0 | 0 | 0 | 114.1 | W1135 T1136 Y1137 | C1133-W1135 PolarHBondContact O-N 2.96Å; C1133-T1136 WeakPolarHBondContact CA-OG1 3.39Å; C1133-T1136 PolarHBondContact O-N 3.28Å; C1133-T1136 PolarHBondContact O-OG1 3.41Å; C1133-Y1137 PolarHBondContact O-N 2.87Å |
| 1134 | C | 41.1 | Very low | 46.2 | Very low | 78 Ų | 78 | 95.4 Ų | 95.4 | 53% | 0.527 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -75.7 | -4.8 | 173 | -71.6 | 0 | 0 | 0 | 0 | 114.1 | F1132 | F1132-C1134 VanDerWaalsContact C-N 3.31Å; F1132-C1134 PolarHBondContact O-N 2.98Å |
| 1135 | W | 37.5 | Very low | 46.9 | Very low | 217 Ų | 217 | 98.2 Ų | 98.2 | 82% | 0.822 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -95.5 | -28.1 | 168.3 | -86.9 | 63.5 | 0 | 0 | 0 | 112.5 | F1132 C1133 | F1132-W1135 WeakPolarHBondContact O-CB 3.3Å; F1132-W1135 PolarHBondContact O-N 2.85Å; C1133-W1135 PolarHBondContact O-N 2.96Å |
| 1136 | T | 40 | Very low | 47.5 | Very low | 100 Ų | 100 | 94.5 Ų | 94.5 | 61% | 0.613 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -76.1 | -33.3 | 178.7 | 51.9 | 0 | 0 | 0 | 0 | 113 | F1132 C1133 N1138 | F1132-T1136 PolarHBondContact O-N 3.47Å; C1133-T1136 WeakPolarHBondContact CA-OG1 3.39Å; C1133-T1136 PolarHBondContact O-N 3.28Å; C1133-T1136 PolarHBondContact O-OG1 3.41Å; T1136-N1138 VanDerWaalsContact C-N 3.34Å; T1136-N1138 PolarHBondContact O-N 3.47Å; T1136-N1138 VanDerWaalsContact O-N 3.11Å |
| 1137 | Y | 45.8 | Very low | 48 | Very low | 183 Ų | 183 | 91 Ų | 91 | 72% | 0.718 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -75.2 | 93.3 | 156.5 | -97.7 | -82.6 | 0 | 0 | 0 | 108.2 | C1133 P1139 | C1133-Y1137 PolarHBondContact O-N 2.87Å; Y1137-P1139 WeakPolarHBondContact O-CD 3Å |
| 1138 | N | 52.9 | Low | 49.3 | Very low | 80 Ų | 80 | 92.8 Ų | 92.8 | 43% | 0.428 | 51% | 0.507 | S | S | . | . | trans | -93 | 95.9 | 178.8 | -171.4 | -15.8 | 0 | 0 | 0 | 109.5 | T1136 I1140 G1141 L1142 | T1136-N1138 VanDerWaalsContact C-N 3.34Å; T1136-N1138 PolarHBondContact O-N 3.47Å; T1136-N1138 VanDerWaalsContact O-N 3.11Å; N1138-I1140 PolarHBondContact O-N 3.45Å; N1138-I1140 WeakPolarHBondContact OD1-CB 3.36Å; N1138-I1140 PolarHBondContact OD1-N 2.99Å; N1138-G1141 WeakPolarHBondContact O-CA 3.34Å; N1138-G1141 PolarHBondContact O-N 3.27Å; N1138-G1141 PolarHBondContact OD1-N 3.23Å; N1138-L1142 PolarHBondContact O-N 3.44Å | ||
| 1139 | P | 54.1 | Low | 50.3 | Low | 83 Ų | 83 | 89.6 Ų | 89.6 | 54% | 0.539 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.6 | -28.6 | 179.9 | 28.9 | -36.7 | 0 | 0 | 0 | 111.4 | Y1137 F1143 | Y1137-P1139 WeakPolarHBondContact O-CD 3Å; P1139-F1143 WeakPolarHBondContact O-CB 3.36Å; P1139-F1143 PolarHBondContact O-N 3.4Å |
| 1140 | I | 52.7 | Low | 51.7 | Low | 59 Ų | 59 | 90.8 Ų | 90.8 | 30% | 0.303 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 170.7 | -58.4 | 162.7 | 0 | 0 | 0 | 109.2 | N1138 F1143 M1144 | N1138-I1140 PolarHBondContact O-N 3.45Å; N1138-I1140 WeakPolarHBondContact OD1-CB 3.36Å; N1138-I1140 PolarHBondContact OD1-N 2.99Å; I1140-F1143 PolarHBondContact O-N 3.07Å; I1140-M1144 HydrophobicContact CG2-CE 4Å; I1140-M1144 HydrophobicContact CG2-CG 3.96Å; I1140-M1144 WeakPolarHBondContact O-CB 3.38Å; I1140-M1144 WeakPolarHBondContact O-CG 3.25Å; I1140-M1144 PolarHBondContact O-N 3.48Å |
| 1141 | G | 56.2 | Low | 53.2 | Low | 27 Ų | 27 | 96.7 Ų | 96.7 | 28% | 0.278 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.3 | -50.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N1138 M1144 Q1145 | N1138-G1141 WeakPolarHBondContact O-CA 3.34Å; N1138-G1141 PolarHBondContact O-N 3.27Å; N1138-G1141 PolarHBondContact OD1-N 3.23Å; G1141-M1144 PolarHBondContact O-N 3.32Å; G1141-Q1145 PolarHBondContact O-N 3.48Å; G1141-Q1145 VanDerWaalsContact O-N 3.16Å |
| 1142 | L | 56.2 | Low | 54.8 | Low | 97 Ų | 97 | 89.7 Ų | 89.7 | 51% | 0.508 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.8 | -45.1 | 176.5 | -81.1 | 162 | 0 | 0 | 0 | 111.9 | N1138 M1144 Q1145 D1146 | N1138-L1142 PolarHBondContact O-N 3.44Å; L1142-M1144 VanDerWaalsContact C-N 3.27Å; L1142-M1144 PolarHBondContact O-N 3.47Å; L1142-Q1145 WeakPolarHBondContact O-CB 3.46Å; L1142-Q1145 PolarHBondContact O-N 2.8Å; L1142-D1146 PolarHBondContact O-N 3.27Å; L1142-D1146 VanDerWaalsContact O-N 3.14Å |
| 1143 | F | 57.9 | Low | 56.9 | Low | 67 Ų | 67 | 84.3 Ų | 84.3 | 29% | 0.294 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.7 | -32.5 | 177.2 | -172.7 | -129.5 | 0 | 0 | 0 | 112.5 | A262 N265 Q266 P1139 I1140 D1146 L1147 | A262-F1143 HydrophobicContact CB-CD1 4.45Å; A262-F1143 HydrophobicContact CB-CE1 4.45Å; N265-F1143 HydrophobicContact CB-CE1 3.91Å; N265-F1143 HydrophobicContact CB-CZ 3.83Å; Q266-F1143 HydrophobicContact CG-CD1 4.18Å; Q266-F1143 HydrophobicContact CG-CE1 4.16Å; Q266-F1143 VanDerWaalsContact NE2-CD1 3.29Å; P1139-F1143 WeakPolarHBondContact O-CB 3.36Å; P1139-F1143 PolarHBondContact O-N 3.4Å; I1140-F1143 PolarHBondContact O-N 3.07Å; F1143-D1146 PolarHBondContact O-N 2.85Å; F1143-L1147 HydrophobicContact CD1-CD1 3.54Å; F1143-L1147 HydrophobicContact CD2-CD1 4.41Å; F1143-L1147 HydrophobicContact CE1-CD1 3.56Å; F1143-L1147 HydrophobicContact CE1-CG 4.46Å; F1143-L1147 HydrophobicContact CE2-CD1 4.4Å; F1143-L1147 HydrophobicContact CG-CD1 4Å; F1143-L1147 HydrophobicContact CZ-CD1 4.01Å; F1143-L1147 HydrophobicContact CZ-CG 4.46Å; F1143-L1147 VanDerWaalsContact O-CB 3.25Å; F1143-L1147 WeakPolarHBondContact O-CB 3.23Å; F1143-L1147 WeakPolarHBondContact O-CD1 3.44Å; F1143-L1147 WeakPolarHBondContact O-CG 3.23Å; F1143-L1147 PolarHBondContact O-N 3Å |
| 1144 | M | 57.8 | Low | 59.1 | Low | 42 Ų | 42 | 86.4 Ų | 86.4 | 21% | 0.207 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -67 | -33 | 171.2 | -75.2 | -74.7 | -174.3 | 0 | 0 | 112.2 | L259 A262 I1140 G1141 L1142 L1148 | L259-M1144 HydrophobicContact CD1-CE 3.67Å; A262-M1144 HydrophobicContact CB-CE 3.4Å; A262-M1144 VanDerWaalsContact CB-CE 3.4Å; A262-M1144 HydrophobicContact CB-SD 4.01Å; I1140-M1144 HydrophobicContact CG2-CE 4Å; I1140-M1144 HydrophobicContact CG2-CG 3.96Å; I1140-M1144 WeakPolarHBondContact O-CB 3.38Å; I1140-M1144 WeakPolarHBondContact O-CG 3.25Å; I1140-M1144 PolarHBondContact O-N 3.48Å; G1141-M1144 PolarHBondContact O-N 3.32Å; L1142-M1144 VanDerWaalsContact C-N 3.27Å; L1142-M1144 PolarHBondContact O-N 3.47Å; M1144-L1148 HydrophobicContact CB-CD1 4.28Å; M1144-L1148 WeakPolarHBondContact O-CB 3.38Å; M1144-L1148 VanDerWaalsContact O-CD1 3.22Å; M1144-L1148 WeakPolarHBondContact O-CD1 3.31Å; M1144-L1148 PolarHBondContact O-N 2.98Å; M1144-L1148 HydrophobicContact SD-CD1 3.8Å |
| 1145 | Q | 63.1 | Low | 61.1 | Low | 138 Ų | 138 | 85.8 Ų | 85.8 | 65% | 0.645 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -69.2 | -36.4 | 173.8 | -72.1 | 178.9 | -13.2 | 0 | 0 | 112.1 | G1141 L1142 L1148 S1149 | G1141-Q1145 PolarHBondContact O-N 3.48Å; G1141-Q1145 VanDerWaalsContact O-N 3.16Å; L1142-Q1145 WeakPolarHBondContact O-CB 3.46Å; L1142-Q1145 PolarHBondContact O-N 2.8Å; Q1145-L1148 CarbonylContact O-C 3.57Å; Q1145-S1149 WeakPolarHBondContact O-CA 3.14Å; Q1145-S1149 PolarHBondContact O-N 2.92Å |
| 1146 | D | 61.1 | Low | 63.4 | Low | 114 Ų | 114 | 80.3 Ų | 80.3 | 61% | 0.61 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -72.7 | -40.9 | 172.4 | -78.8 | -37.2 | 0 | 0 | 0 | 112.6 | L1142 F1143 S1149 N1289 | L1142-D1146 PolarHBondContact O-N 3.27Å; L1142-D1146 VanDerWaalsContact O-N 3.14Å; F1143-D1146 PolarHBondContact O-N 2.85Å; D1146-S1149 VanDerWaalsContact O-CB 3.23Å; D1146-S1149 WeakPolarHBondContact O-CB 3.14Å; D1146-S1149 PolarHBondContact O-N 2.89Å; D1146-S1149 PolarHBondContact O-OG 3.4Å; D1146-N1289 PolarHBondContact O-ND2 3.38Å |
| 1147 | L | 57.5 | Low | 65.7 | Low | 8 Ų | 8 | 75.9 Ų | 75.9 | 4% | 0.042 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.1 | -50.7 | 175.3 | -87.5 | 159.7 | 0 | 0 | 0 | 112 | A262 F1143 S1149 N1289 | A262-L1147 HydrophobicContact CB-CD1 3.49Å; A262-L1147 VanDerWaalsContact CB-CD1 3.49Å; F1143-L1147 HydrophobicContact CD1-CD1 3.54Å; F1143-L1147 HydrophobicContact CD2-CD1 4.41Å; F1143-L1147 HydrophobicContact CE1-CD1 3.56Å; F1143-L1147 HydrophobicContact CE1-CG 4.46Å; F1143-L1147 HydrophobicContact CE2-CD1 4.4Å; F1143-L1147 HydrophobicContact CG-CD1 4Å; F1143-L1147 HydrophobicContact CZ-CD1 4.01Å; F1143-L1147 HydrophobicContact CZ-CG 4.46Å; F1143-L1147 VanDerWaalsContact O-CB 3.25Å; F1143-L1147 WeakPolarHBondContact O-CB 3.23Å; F1143-L1147 WeakPolarHBondContact O-CD1 3.44Å; F1143-L1147 WeakPolarHBondContact O-CG 3.23Å; F1143-L1147 PolarHBondContact O-N 3Å; L1147-S1149 PolarHBondContact O-N 3.15Å; L1147-N1289 HydrophobicContact CD2-CB 4.5Å; L1147-N1289 WeakPolarHBondContact CD2-OD1 3.27Å |
| 1148 | L | 62.9 | Low | 67.6 | Low | 73 Ų | 73 | 67.3 Ų | 67.3 | 38% | 0.382 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 32.5 | 175.7 | -68 | 96.8 | 0 | 0 | 0 | 112.4 | M1144 Q1145 P1150 Y1293 | M1144-L1148 HydrophobicContact CB-CD1 4.28Å; M1144-L1148 WeakPolarHBondContact O-CB 3.38Å; M1144-L1148 VanDerWaalsContact O-CD1 3.22Å; M1144-L1148 WeakPolarHBondContact O-CD1 3.31Å; M1144-L1148 PolarHBondContact O-N 2.98Å; M1144-L1148 HydrophobicContact SD-CD1 3.8Å; Q1145-L1148 CarbonylContact O-C 3.57Å; L1148-P1150 VanDerWaalsContact O-CD 3.23Å; L1148-P1150 WeakPolarHBondContact O-CD 3.27Å; L1148-P1150 VanDerWaalsContact O-N 3.13Å; L1148-Y1293 WeakPolarHBondContact CA-OH 3.25Å; L1148-Y1293 PolarHBondContact O-OH 3.22Å; L1148-Y1293 VanDerWaalsContact O-OH 3.05Å |
| 1149 | S | 63.6 | Low | 69.4 | Low | 28 Ų | 28 | 67.2 Ų | 67.2 | 20% | 0.196 | 37% | 0.366 | C | S | . | . | trans | -64.4 | 112.5 | 177.5 | 50.5 | 0 | 0 | 0 | 0 | 110.7 | Q1145 D1146 L1147 K1151 L1152 | Q1145-S1149 WeakPolarHBondContact O-CA 3.14Å; Q1145-S1149 PolarHBondContact O-N 2.92Å; D1146-S1149 VanDerWaalsContact O-CB 3.23Å; D1146-S1149 WeakPolarHBondContact O-CB 3.14Å; D1146-S1149 PolarHBondContact O-N 2.89Å; D1146-S1149 PolarHBondContact O-OG 3.4Å; L1147-S1149 PolarHBondContact O-N 3.15Å; S1149-K1151 PolarHBondContact O-N 2.88Å; S1149-L1152 PolarHBondContact O-N 2.98Å; S1149-L1152 VanDerWaalsContact O-N 3.11Å | ||
| 1150 | P | 69.7 | Low | 71.1 | Confident | 96 Ų | 96 | 66.7 Ų | 66.7 | 62% | 0.623 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -12.6 | -169.1 | 26.7 | -35.5 | 0 | 0 | 0 | 113.3 | L1148 L1152 L1153 S1154 | L1148-P1150 VanDerWaalsContact O-CD 3.23Å; L1148-P1150 WeakPolarHBondContact O-CD 3.27Å; L1148-P1150 VanDerWaalsContact O-N 3.13Å; P1150-L1152 PolarHBondContact O-N 3.14Å; P1150-L1153 PolarHBondContact O-N 2.83Å; P1150-S1154 PolarHBondContact O-N 3.44Å; P1150-S1154 VanDerWaalsContact O-N 3.12Å |
| 1151 | K | 73.1 | Confident | 72.9 | Confident | 167 Ų | 167 | 64 Ų | 64 | 73% | 0.726 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | -28.1 | 168.8 | -65.5 | 177.2 | 179.8 | 172.5 | 0 | 113.1 | S1149 | S1149-K1151 PolarHBondContact O-N 2.88Š|
| 1152 | L | 75.5 | Confident | 74.5 | Confident | 11 Ų | 11 | 63.2 Ų | 63.2 | 6% | 0.058 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -44.1 | 176.5 | -157.2 | 80.8 | 0 | 0 | 0 | 112.6 | S1149 P1150 S1154 N1155 F1158 I1282 R1286 A1290 Y1293 | S1149-L1152 PolarHBondContact O-N 2.98Å; S1149-L1152 VanDerWaalsContact O-N 3.11Å; P1150-L1152 PolarHBondContact O-N 3.14Å; L1152-S1154 PolarHBondContact O-N 3.11Å; L1152-N1155 PolarHBondContact O-N 3.01Å; L1152-N1155 VanDerWaalsContact O-N 3.15Å; L1152-F1158 HydrophobicContact CD2-CD1 4.19Å; L1152-F1158 HydrophobicContact CD2-CE1 3.69Å; L1152-F1158 HydrophobicContact CD2-CZ 4Å; L1152-F1158 HydrophobicContact CG-CD1 4.08Å; L1152-F1158 HydrophobicContact CG-CE1 4.07Å; L1152-F1158 WeakPolarHBondContact O-CD1 3.21Å; L1152-I1282 HydrophobicContact CD1-CG2 4Å; L1152-R1286 HydrophobicContact CD1-CB 4.29Å; L1152-A1290 HydrophobicContact CD2-CB 3.71Å; L1152-Y1293 HydrophobicContact CB-CE2 4.45Å; L1152-Y1293 HydrophobicContact CD2-CD2 3.9Å; L1152-Y1293 HydrophobicContact CD2-CE2 4.37Å |
| 1153 | L | 81 | Confident | 76.2 | Confident | 45 Ų | 45 | 63.6 Ų | 63.6 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -21.1 | 176.2 | -66.6 | 171.7 | 0 | 0 | 0 | 112.4 | P1150 N1155 F1158 L1159 L1162 Y1293 F1297 | P1150-L1153 PolarHBondContact O-N 2.83Å; L1153-N1155 PolarHBondContact O-N 2.9Å; L1153-F1158 HydrophobicContact CD2-CD1 4.43Å; L1153-F1158 HydrophobicContact CD2-CE1 4.05Å; L1153-L1159 VanDerWaalsContact O-CD1 3.29Å; L1153-L1159 WeakPolarHBondContact O-CD1 3.34Å; L1153-L1159 VanDerWaalsContact O-CG 3.25Å; L1153-L1159 WeakPolarHBondContact O-CG 3.44Å; L1153-L1162 HydrophobicContact CD2-CD1 4.28Å; L1153-Y1293 HydrophobicContact CD1-CD1 4.37Å; L1153-Y1293 HydrophobicContact CD1-CE1 3.72Å; L1153-Y1293 HydrophobicContact CD2-CD1 4.26Å; L1153-Y1293 HydrophobicContact CD2-CE1 4.38Å; L1153-Y1293 HydrophobicContact CG-CD1 4.48Å; L1153-Y1293 HydrophobicContact CG-CE1 4.13Å; L1153-F1297 HydrophobicContact CD2-CE2 4.31Å |
| 1154 | S | 81.5 | Confident | 77.9 | Confident | 102 Ų | 102 | 60.5 Ų | 60.5 | 71% | 0.713 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -12 | 172.5 | -171.1 | 0 | 0 | 0 | 0 | 114.5 | P1150 L1152 I1156 | P1150-S1154 PolarHBondContact O-N 3.44Å; P1150-S1154 VanDerWaalsContact O-N 3.12Å; L1152-S1154 PolarHBondContact O-N 3.11Å; S1154-I1156 PolarHBondContact O-N 2.91Å |
| 1155 | N | 82.5 | Confident | 79.5 | Confident | 65 Ų | 65 | 58.6 Ų | 58.6 | 35% | 0.348 | 31% | 0.306 | S | S | . | . | trans | -83.6 | 111.6 | 177.8 | -176.2 | -17.4 | 0 | 0 | 0 | 110.6 | L1152 L1153 T1157 F1158 L1159 | L1152-N1155 PolarHBondContact O-N 3.01Å; L1152-N1155 VanDerWaalsContact O-N 3.15Å; L1153-N1155 PolarHBondContact O-N 2.9Å; N1155-T1157 PolarHBondContact O-N 3.12Å; N1155-T1157 VanDerWaalsContact O-N 3.16Å; N1155-T1157 WeakPolarHBondContact OD1-CB 3.45Å; N1155-T1157 PolarHBondContact OD1-N 3.43Å; N1155-F1158 HydrophobicContact CB-CB 4.12Å; N1155-F1158 WeakPolarHBondContact O-CA 3.29Å; N1155-F1158 WeakPolarHBondContact O-CB 3.4Å; N1155-F1158 PolarHBondContact O-N 2.79Å; N1155-L1159 PolarHBondContact O-N 2.93Å | ||
| 1156 | I | 86.9 | Confident | 81 | Confident | 101 Ų | 101 | 53.5 Ų | 53.5 | 52% | 0.518 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.2 | -31.7 | -179.3 | -164.2 | 166.1 | 0 | 0 | 0 | 113.6 | S1154 F1158 L1159 F1160 | S1154-I1156 PolarHBondContact O-N 2.91Å; I1156-F1158 VanDerWaalsContact C-N 3.34Å; I1156-L1159 PolarHBondContact O-N 3.17Å; I1156-F1160 HydrophobicContact CD1-CE2 4.44Å; I1156-F1160 HydrophobicContact CG1-CD2 4.03Å; I1156-F1160 HydrophobicContact CG1-CE2 4.1Å; I1156-F1160 WeakPolarHBondContact O-CD2 3.09Å; I1156-F1160 PolarHBondContact O-N 3.46Å |
| 1157 | T | 86.7 | Confident | 82.6 | Confident | 8 Ų | 8 | 49.9 Ų | 49.9 | 5% | 0.049 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.6 | -36.7 | 175.8 | -50.4 | 0 | 0 | 0 | 0 | 111 | N1155 F1161 L1281 L1358 L1361 | N1155-T1157 PolarHBondContact O-N 3.12Å; N1155-T1157 VanDerWaalsContact O-N 3.16Å; N1155-T1157 WeakPolarHBondContact OD1-CB 3.45Å; N1155-T1157 PolarHBondContact OD1-N 3.43Å; T1157-F1161 WeakPolarHBondContact O-CB 3.42Å; T1157-F1161 PolarHBondContact O-N 2.7Å; T1157-L1281 HydrophobicContact CG2-CD2 4.19Å; T1157-L1358 HydrophobicContact CG2-CD2 4Å; T1157-L1358 VanDerWaalsContact O-CD2 3.3Å; T1157-L1358 WeakPolarHBondContact O-CD2 3.31Å; T1157-L1361 HydrophobicContact CG2-CB 4.43Å |
| 1158 | F | 87.7 | Confident | 84.4 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70 | -42 | 174.1 | -176.7 | -126.5 | 0 | 0 | 0 | 111.4 | L1152 L1153 N1155 I1156 F1160 F1161 L1162 I1282 A1290 L1294 | L1152-F1158 HydrophobicContact CD2-CD1 4.19Å; L1152-F1158 HydrophobicContact CD2-CE1 3.69Å; L1152-F1158 HydrophobicContact CD2-CZ 4Å; L1152-F1158 HydrophobicContact CG-CD1 4.08Å; L1152-F1158 HydrophobicContact CG-CE1 4.07Å; L1152-F1158 WeakPolarHBondContact O-CD1 3.21Å; L1153-F1158 HydrophobicContact CD2-CD1 4.43Å; L1153-F1158 HydrophobicContact CD2-CE1 4.05Å; N1155-F1158 HydrophobicContact CB-CB 4.12Å; N1155-F1158 WeakPolarHBondContact O-CA 3.29Å; N1155-F1158 WeakPolarHBondContact O-CB 3.4Å; N1155-F1158 PolarHBondContact O-N 2.79Å; I1156-F1158 VanDerWaalsContact C-N 3.34Å; F1158-F1160 PolarHBondContact O-N 3.2Å; F1158-F1161 PolarHBondContact O-N 3.32Å; F1158-L1162 HydrophobicContact CD1-CD1 4.5Å; F1158-L1162 HydrophobicContact CE1-CD1 3.8Å; F1158-L1162 HydrophobicContact CE2-CD1 4.35Å; F1158-L1162 HydrophobicContact CZ-CD1 3.72Å; F1158-L1162 WeakPolarHBondContact O-CB 3.37Å; F1158-L1162 PolarHBondContact O-N 3.19Å; F1158-I1282 HydrophobicContact CD2-CD1 3.43Å; F1158-I1282 VanDerWaalsContact CD2-CD1 3.43Å; F1158-I1282 HydrophobicContact CE2-CD1 3.78Å; F1158-I1282 HydrophobicContact CG-CD1 4.08Å; F1158-A1290 HydrophobicContact CE2-CB 4.24Å; F1158-A1290 HydrophobicContact CZ-CB 4.32Å; F1158-L1294 HydrophobicContact CE2-CD1 4.47Å |
| 1159 | L | 89.6 | Confident | 85.9 | Confident | 78 Ų | 78 | 46.3 Ų | 46.3 | 41% | 0.408 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.5 | -45.5 | 175.3 | -76.3 | 172.7 | 0 | 0 | 0 | 112.8 | L1153 N1155 I1156 F1161 L1162 F1163 | L1153-L1159 VanDerWaalsContact O-CD1 3.29Å; L1153-L1159 WeakPolarHBondContact O-CD1 3.34Å; L1153-L1159 VanDerWaalsContact O-CG 3.25Å; L1153-L1159 WeakPolarHBondContact O-CG 3.44Å; N1155-L1159 PolarHBondContact O-N 2.93Å; I1156-L1159 PolarHBondContact O-N 3.17Å; L1159-F1161 PolarHBondContact O-N 3.42Å; L1159-L1162 PolarHBondContact O-N 3.32Å; L1159-F1163 WeakPolarHBondContact O-CB 3.5Å; L1159-F1163 PolarHBondContact O-N 3.05Å |
| 1160 | F | 89.7 | Confident | 87.4 | Confident | 71 Ų | 71 | 46.3 Ų | 46.3 | 31% | 0.311 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.5 | -42.8 | 175.5 | -94.4 | -96.5 | 0 | 0 | 0 | 112.1 | I1156 F1158 S1164 L1354 P1357 L1358 L1361 | I1156-F1160 HydrophobicContact CD1-CE2 4.44Å; I1156-F1160 HydrophobicContact CG1-CD2 4.03Å; I1156-F1160 HydrophobicContact CG1-CE2 4.1Å; I1156-F1160 WeakPolarHBondContact O-CD2 3.09Å; I1156-F1160 PolarHBondContact O-N 3.46Å; F1158-F1160 PolarHBondContact O-N 3.2Å; F1160-S1164 VanDerWaalsContact O-CB 3.27Å; F1160-S1164 WeakPolarHBondContact O-CB 3.44Å; F1160-S1164 PolarHBondContact O-N 3.16Å; F1160-L1354 HydrophobicContact CD1-CD2 4.44Å; F1160-L1354 HydrophobicContact CE1-CD2 4.37Å; F1160-P1357 HydrophobicContact CD1-CG 4.04Å; F1160-P1357 HydrophobicContact CE1-CG 4.12Å; F1160-L1358 HydrophobicContact CB-CD2 3.68Å; F1160-L1358 HydrophobicContact CB-CG 4.49Å; F1160-L1361 HydrophobicContact CB-CD1 4.09Å; F1160-L1361 HydrophobicContact CD1-CD1 4.07Å; F1160-L1361 HydrophobicContact CD2-CD1 3.69Å; F1160-L1361 HydrophobicContact CE1-CD1 4.44Å; F1160-L1361 HydrophobicContact CE2-CD1 4.1Å; F1160-L1361 HydrophobicContact CG-CD1 3.67Å; F1160-L1361 HydrophobicContact CZ-CD1 4.45Å |
| 1161 | F | 90 | Very high | 88.5 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.018 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.7 | -36.6 | 178.9 | 179.9 | -130.6 | 0 | 0 | 0 | 112.2 | T1157 F1158 L1159 S1165 L1277 V1278 L1281 L1294 L1358 | T1157-F1161 WeakPolarHBondContact O-CB 3.42Å; T1157-F1161 PolarHBondContact O-N 2.7Å; F1158-F1161 PolarHBondContact O-N 3.32Å; L1159-F1161 PolarHBondContact O-N 3.42Å; F1161-S1165 WeakPolarHBondContact O-CB 3.33Å; F1161-S1165 PolarHBondContact O-N 3.3Å; F1161-S1165 PolarHBondContact O-OG 3.45Å; F1161-L1277 HydrophobicContact CE1-CB 4.32Å; F1161-L1277 HydrophobicContact CE2-CB 4.07Å; F1161-L1277 HydrophobicContact CE2-CD1 3.95Å; F1161-L1277 HydrophobicContact CZ-CB 3.62Å; F1161-L1277 HydrophobicContact CZ-CD1 4.24Å; F1161-V1278 HydrophobicContact CE1-CG2 3.8Å; F1161-L1281 HydrophobicContact CB-CD1 4.18Å; F1161-L1281 HydrophobicContact CD1-CD1 3.89Å; F1161-L1281 HydrophobicContact CD2-CD1 4.17Å; F1161-L1281 HydrophobicContact CE1-CD1 4.29Å; F1161-L1281 HydrophobicContact CG-CD1 3.83Å; F1161-L1294 HydrophobicContact CD1-CD1 3.6Å; F1161-L1294 HydrophobicContact CE1-CD1 3.3Å; F1161-L1294 HydrophobicContact CG-CD1 4.44Å; F1161-L1294 HydrophobicContact CZ-CD1 3.91Å; F1161-L1358 HydrophobicContact CB-CD1 3.94Å; F1161-L1358 HydrophobicContact CB-CD2 3.94Å; F1161-L1358 HydrophobicContact CD2-CD1 3.88Å; F1161-L1358 HydrophobicContact CG-CD1 4.34Å |
| 1162 | L | 90.9 | Very high | 89.5 | Confident | 10 Ų | 10 | 34.1 Ų | 34.1 | 5% | 0.052 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.8 | -40.6 | 177.5 | -175.5 | 140.3 | 0 | 0 | 0 | 111.9 | L1153 F1158 L1159 S1165 M1166 F1297 | L1153-L1162 HydrophobicContact CD2-CD1 4.28Å; F1158-L1162 HydrophobicContact CD1-CD1 4.5Å; F1158-L1162 HydrophobicContact CE1-CD1 3.8Å; F1158-L1162 HydrophobicContact CE2-CD1 4.35Å; F1158-L1162 HydrophobicContact CZ-CD1 3.72Å; F1158-L1162 WeakPolarHBondContact O-CB 3.37Å; F1158-L1162 PolarHBondContact O-N 3.19Å; L1159-L1162 PolarHBondContact O-N 3.32Å; L1162-S1165 VanDerWaalsContact O-CB 3.31Å; L1162-S1165 WeakPolarHBondContact O-CB 3.33Å; L1162-S1165 PolarHBondContact O-N 3.48Å; L1162-M1166 WeakPolarHBondContact O-CB 3.42Å; L1162-M1166 PolarHBondContact O-N 2.92Å; L1162-F1297 HydrophobicContact CD1-CD2 3.74Å; L1162-F1297 HydrophobicContact CD1-CE2 4.2Å; L1162-F1297 HydrophobicContact CD1-CG 4.46Å; L1162-F1297 HydrophobicContact CD2-CB 4.06Å; L1162-F1297 HydrophobicContact CD2-CD1 4.29Å; L1162-F1297 HydrophobicContact CD2-CD2 3.81Å; L1162-F1297 HydrophobicContact CD2-CE2 4.29Å; L1162-F1297 HydrophobicContact CD2-CG 3.8Å; L1162-F1297 HydrophobicContact CG-CB 4.33Å; L1162-F1297 HydrophobicContact CG-CD2 4.13Å; L1162-F1297 HydrophobicContact CG-CG 4.36Å |
| 1163 | F | 91.9 | Very high | 90.4 | Very high | 104 Ų | 104 | 33.6 Ų | 33.6 | 46% | 0.456 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -73 | -39.8 | 176.3 | -151.5 | -74.7 | 0 | 0 | 0 | 112.2 | L1159 S1165 M1166 M1167 L1354 | L1159-F1163 WeakPolarHBondContact O-CB 3.5Å; L1159-F1163 PolarHBondContact O-N 3.05Å; F1163-S1165 VanDerWaalsContact C-N 3.32Å; F1163-S1165 PolarHBondContact O-N 3.11Å; F1163-M1166 HydrophobicContact CD1-CE 4.35Å; F1163-M1166 HydrophobicContact CD2-CE 3.99Å; F1163-M1166 HydrophobicContact CE1-CE 4.16Å; F1163-M1166 HydrophobicContact CE2-CE 3.76Å; F1163-M1166 HydrophobicContact CG-CE 4.3Å; F1163-M1166 HydrophobicContact CZ-CE 3.86Å; F1163-M1166 PolarHBondContact O-N 2.87Å; F1163-M1167 HydrophobicContact CD1-CE 4.49Å; F1163-M1167 HydrophobicContact CD1-CG 4.04Å; F1163-M1167 HydrophobicContact CE1-CE 3.82Å; F1163-M1167 HydrophobicContact CE1-CG 4.08Å; F1163-M1167 HydrophobicContact CE1-SD 4.45Å; F1163-M1167 HydrophobicContact CZ-CE 4.35Å; F1163-M1167 WeakPolarHBondContact O-CG 3.21Å; F1163-M1167 PolarHBondContact O-N 2.95Å; F1163-L1354 HydrophobicContact CD1-CD1 3.66Å; F1163-L1354 HydrophobicContact CE1-CD1 4.37Å |
| 1164 | S | 93.1 | Very high | 91.1 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.5 | -47.6 | 168.2 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | F1160 M1166 M1167 A1168 S1351 | F1160-S1164 VanDerWaalsContact O-CB 3.27Å; F1160-S1164 WeakPolarHBondContact O-CB 3.44Å; F1160-S1164 PolarHBondContact O-N 3.16Å; S1164-M1166 PolarHBondContact O-N 3.4Å; S1164-M1167 PolarHBondContact O-N 3.35Å; S1164-A1168 PolarHBondContact O-N 2.81Å; S1164-S1351 WeakPolarHBondContact O-CB 3.43Å; S1164-S1351 PolarHBondContact O-OG 3.29Å; S1164-S1351 PolarHBondContact OG-O 3.19Å; S1164-S1351 PolarHBondContact OG-OG 2.95Å |
| 1165 | S | 92 | Very high | 91.6 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.1 | -41 | 174.6 | -88.3 | 0 | 0 | 0 | 0 | 113.8 | F1161 L1162 F1163 A1168 M1169 Q1298 | F1161-S1165 WeakPolarHBondContact O-CB 3.33Å; F1161-S1165 PolarHBondContact O-N 3.3Å; F1161-S1165 PolarHBondContact O-OG 3.45Å; L1162-S1165 VanDerWaalsContact O-CB 3.31Å; L1162-S1165 WeakPolarHBondContact O-CB 3.33Å; L1162-S1165 PolarHBondContact O-N 3.48Å; F1163-S1165 VanDerWaalsContact C-N 3.32Å; F1163-S1165 PolarHBondContact O-N 3.11Å; S1165-A1168 PolarHBondContact O-N 2.82Å; S1165-M1169 PolarHBondContact O-N 3.48Å; S1165-Q1298 PolarHBondContact OG-NE2 2.87Å |
| 1166 | M | 94.5 | Very high | 92.1 | Very high | 32 Ų | 32 | 23.8 Ų | 23.8 | 16% | 0.158 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.2 | -46.5 | 178.7 | -168.9 | 177.1 | 73.5 | 0 | 0 | 111 | L1162 F1163 S1164 A1168 M1169 L1170 F1297 A1301 | L1162-M1166 WeakPolarHBondContact O-CB 3.42Å; L1162-M1166 PolarHBondContact O-N 2.92Å; F1163-M1166 HydrophobicContact CD1-CE 4.35Å; F1163-M1166 HydrophobicContact CD2-CE 3.99Å; F1163-M1166 HydrophobicContact CE1-CE 4.16Å; F1163-M1166 HydrophobicContact CE2-CE 3.76Å; F1163-M1166 HydrophobicContact CG-CE 4.3Å; F1163-M1166 HydrophobicContact CZ-CE 3.86Å; F1163-M1166 PolarHBondContact O-N 2.87Å; S1164-M1166 PolarHBondContact O-N 3.4Å; M1166-A1168 VanDerWaalsContact C-N 3.33Å; M1166-A1168 PolarHBondContact O-N 2.94Å; M1166-M1169 PolarHBondContact O-N 2.8Å; M1166-L1170 PolarHBondContact O-N 3.03Å; M1166-L1170 VanDerWaalsContact O-N 3.09Å; M1166-F1297 HydrophobicContact SD-CB 4.49Å; M1166-A1301 HydrophobicContact CG-CB 3.69Å; M1166-A1301 WeakPolarHBondContact O-CB 3.44Å |
| 1167 | M | 95 | Very high | 92.5 | Very high | 37 Ų | 37 | 19.1 Ų | 19.1 | 18% | 0.182 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.2 | -35.9 | 175.9 | -70 | -67.7 | 121.2 | 0 | 0 | 112.7 | F1163 S1164 L1170 G1171 A1347 T1350 L1354 | F1163-M1167 HydrophobicContact CD1-CE 4.49Å; F1163-M1167 HydrophobicContact CD1-CG 4.04Å; F1163-M1167 HydrophobicContact CE1-CE 3.82Å; F1163-M1167 HydrophobicContact CE1-CG 4.08Å; F1163-M1167 HydrophobicContact CE1-SD 4.45Å; F1163-M1167 HydrophobicContact CZ-CE 4.35Å; F1163-M1167 WeakPolarHBondContact O-CG 3.21Å; F1163-M1167 PolarHBondContact O-N 2.95Å; S1164-M1167 PolarHBondContact O-N 3.35Å; M1167-L1170 HydrophobicContact CE-CD2 4.36Å; M1167-L1170 HydrophobicContact SD-CD2 4.38Å; M1167-G1171 PolarHBondContact O-N 3.21Å; M1167-A1347 WeakPolarHBondContact O-CB 3.3Å; M1167-T1350 HydrophobicContact CG-CG2 4.26Å; M1167-T1350 HydrophobicContact SD-CG2 4.47Å; M1167-L1354 HydrophobicContact CG-CD1 4.16Å |
| 1168 | A | 94.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.7 | -49.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1164 S1165 M1166 L1170 G1171 L1172 L1236 F1270 S1351 | S1164-A1168 PolarHBondContact O-N 2.81Å; S1165-A1168 PolarHBondContact O-N 2.82Å; M1166-A1168 VanDerWaalsContact C-N 3.33Å; M1166-A1168 PolarHBondContact O-N 2.94Å; A1168-L1170 PolarHBondContact O-N 2.89Å; A1168-G1171 PolarHBondContact O-N 2.77Å; A1168-L1172 VanDerWaalsContact O-CB 3.26Å; A1168-L1172 WeakPolarHBondContact O-CB 3.41Å; A1168-L1172 PolarHBondContact O-N 3.42Å; A1168-L1236 HydrophobicContact CB-CD2 4.11Å; A1168-F1270 HydrophobicContact CB-CE1 3.89Å; A1168-F1270 HydrophobicContact CB-CE2 3.82Å; A1168-F1270 HydrophobicContact CB-CZ 3.36Å; A1168-S1351 WeakPolarHBondContact CB-OG 3.35Å |
| 1169 | M | 94 | Very high | 93 | Very high | 7 Ų | 7 | 18.6 Ų | 18.6 | 3% | 0.034 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -74.2 | -25.1 | -175.2 | -64.2 | -61.8 | -67.2 | 0 | 0 | 113.3 | L254 S1165 M1166 G1171 F1270 Q1298 A1301 | L254-M1169 HydrophobicContact CD1-CE 3.62Å; S1165-M1169 PolarHBondContact O-N 3.48Å; M1166-M1169 PolarHBondContact O-N 2.8Å; M1169-G1171 VanDerWaalsContact C-N 3.25Å; M1169-G1171 PolarHBondContact O-N 2.78Å; M1169-F1270 HydrophobicContact SD-CE1 3.99Å; M1169-F1270 HydrophobicContact SD-CZ 4.48Å; M1169-Q1298 HydrophobicContact CB-CB 4.21Å; M1169-Q1298 HydrophobicContact CB-CG 4.22Å; M1169-Q1298 HydrophobicContact CG-CB 3.78Å; M1169-Q1298 HydrophobicContact CG-CG 3.52Å; M1169-A1301 HydrophobicContact CB-CB 4.46Å |
| 1170 | L | 94.8 | Very high | 93 | Very high | 28 Ų | 28 | 15 Ų | 15 | 15% | 0.147 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -58.9 | -38.4 | 168.5 | -170.4 | 71.1 | 0 | 0 | 0 | 111.7 | M1166 M1167 A1168 A1301 V1304 F1343 A1347 | M1166-L1170 PolarHBondContact O-N 3.03Å; M1166-L1170 VanDerWaalsContact O-N 3.09Å; M1167-L1170 HydrophobicContact CE-CD2 4.36Å; M1167-L1170 HydrophobicContact SD-CD2 4.38Å; A1168-L1170 PolarHBondContact O-N 2.89Å; L1170-A1301 HydrophobicContact CB-CB 4.16Å; L1170-V1304 HydrophobicContact CD1-CB 4.44Å; L1170-V1304 HydrophobicContact CD1-CG1 4.34Å; L1170-F1343 HydrophobicContact CD1-CZ 4.24Å; L1170-F1343 HydrophobicContact CD2-CE2 4.28Å; L1170-F1343 HydrophobicContact CD2-CZ 3.9Å; L1170-F1343 HydrophobicContact CG-CE1 4.42Å; L1170-F1343 HydrophobicContact CG-CZ 3.83Å; L1170-A1347 HydrophobicContact CB-CB 4.43Å; L1170-A1347 HydrophobicContact CD2-CB 4.34Å |
| 1171 | G | 93.3 | Very high | 93 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -88.1 | -44.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | M1167 A1168 M1169 V1173 V1174 P1175 S1344 | M1167-G1171 PolarHBondContact O-N 3.21Å; A1168-G1171 PolarHBondContact O-N 2.77Å; M1169-G1171 VanDerWaalsContact C-N 3.25Å; M1169-G1171 PolarHBondContact O-N 2.78Å; G1171-V1173 VanDerWaalsContact C-N 3.32Å; G1171-V1173 PolarHBondContact O-N 3.29Å; G1171-V1174 WeakPolarHBondContact O-CB 3.36Å; G1171-V1174 PolarHBondContact O-N 3.4Å; G1171-V1174 VanDerWaalsContact O-N 3.16Å; G1171-P1175 VanDerWaalsContact O-CD 3.31Å; G1171-P1175 WeakPolarHBondContact O-CD 3.41Å; G1171-S1344 PolarHBondContact O-OG 2.94Å |
| 1172 | L | 94.3 | Very high | 92.9 | Very high | 6 Ų | 6 | 11.6 Ų | 11.6 | 3% | 0.031 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -64.7 | -28.5 | -163.2 | -169.6 | 146.5 | 0 | 0 | 0 | 114.7 | A1168 P1175 F1176 F1270 L1348 | A1168-L1172 VanDerWaalsContact O-CB 3.26Å; A1168-L1172 WeakPolarHBondContact O-CB 3.41Å; A1168-L1172 PolarHBondContact O-N 3.42Å; L1172-P1175 WeakPolarHBondContact O-CD 3.28Å; L1172-F1176 HydrophobicContact CD2-CE2 4.18Å; L1172-F1176 WeakPolarHBondContact O-CD2 3.35Å; L1172-F1270 HydrophobicContact CD1-CD1 3.67Å; L1172-F1270 HydrophobicContact CD1-CE1 3.92Å; L1172-L1348 HydrophobicContact CB-CD2 4.28Å |
| 1173 | V | 94.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -29.8 | 179.7 | -174.5 | 0 | 0 | 0 | 0 | 112 | V250 G1171 F1176 L1177 A1302 P1306 | V250-V1173 HydrophobicContact CB-CG1 4.46Å; V250-V1173 HydrophobicContact CG1-CG1 4.26Å; V250-V1173 HydrophobicContact CG1-CG2 3.89Å; V250-V1173 HydrophobicContact CG2-CG1 4.22Å; G1171-V1173 VanDerWaalsContact C-N 3.32Å; G1171-V1173 PolarHBondContact O-N 3.29Å; V1173-F1176 PolarHBondContact O-N 2.97Å; V1173-L1177 HydrophobicContact CG1-CD1 4.08Å; V1173-A1302 HydrophobicContact CG2-CB 4.01Å; V1173-P1306 HydrophobicContact CB-CG 4.21Å; V1173-P1306 HydrophobicContact CG1-CG 3.75Å |
| 1174 | V | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -60.6 | -44.2 | -170.5 | 175.9 | 0 | 0 | 0 | 0 | 113.6 | G1171 F1176 L1177 M1178 A1309 A1340 F1343 | G1171-V1174 WeakPolarHBondContact O-CB 3.36Å; G1171-V1174 PolarHBondContact O-N 3.4Å; G1171-V1174 VanDerWaalsContact O-N 3.16Å; V1174-F1176 PolarHBondContact O-N 3.42Å; V1174-L1177 PolarHBondContact O-N 3.01Å; V1174-M1178 HydrophobicContact CG1-CB 4.47Å; V1174-M1178 HydrophobicContact CG1-CG 3.94Å; V1174-M1178 WeakPolarHBondContact O-CB 3.36Å; V1174-M1178 PolarHBondContact O-N 3.47Å; V1174-A1309 HydrophobicContact CB-CB 4.3Å; V1174-A1309 HydrophobicContact CG1-CB 3.47Å; V1174-A1309 VanDerWaalsContact CG1-CB 3.47Å; V1174-A1309 HydrophobicContact CG2-CB 3.78Å; V1174-A1340 HydrophobicContact CG1-CB 4.14Å; V1174-F1343 HydrophobicContact CG2-CE1 4.5Å |
| 1175 | P | 93.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -59.8 | -42.3 | 179.6 | -26.6 | 36.8 | 0 | 0 | 0 | 113.3 | G1171 L1172 L1177 M1178 L1179 V1243 F1263 F1341 S1344 | G1171-P1175 VanDerWaalsContact O-CD 3.31Å; G1171-P1175 WeakPolarHBondContact O-CD 3.41Å; L1172-P1175 WeakPolarHBondContact O-CD 3.28Å; P1175-L1177 VanDerWaalsContact C-N 3.29Å; P1175-L1177 PolarHBondContact O-N 2.87Å; P1175-M1178 PolarHBondContact O-N 2.83Å; P1175-L1179 HydrophobicContact CB-CD1 4.19Å; P1175-L1179 WeakPolarHBondContact O-CB 3.39Å; P1175-L1179 WeakPolarHBondContact O-CD1 3.28Å; P1175-L1179 PolarHBondContact O-N 3.18Å; P1175-V1243 HydrophobicContact CG-CG1 4.1Å; P1175-V1243 HydrophobicContact CG-CG2 3.83Å; P1175-F1263 HydrophobicContact CB-CE1 3.95Å; P1175-F1263 HydrophobicContact CB-CZ 3.91Å; P1175-F1263 HydrophobicContact CG-CE1 4.38Å; P1175-F1263 HydrophobicContact CG-CE2 4.14Å; P1175-F1263 HydrophobicContact CG-CZ 3.83Å; P1175-F1341 HydrophobicContact CB-CE1 4.04Å; P1175-S1344 WeakPolarHBondContact CD-OG 3.44Å |
| 1176 | F | 92.8 | Very high | 91 | Very high | 6 Ų | 6 | 8.3 Ų | 8.3 | 3% | 0.026 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -58.8 | -40.9 | 179.8 | -68.5 | -82.7 | 0 | 0 | 0 | 112.3 | F175 L1172 V1173 V1174 I1200 F1263 | F175-F1176 HydrophobicContact CB-CB 4.2Å; F175-F1176 HydrophobicContact CB-CD1 3.73Å; F175-F1176 HydrophobicContact CB-CE1 4.26Å; F175-F1176 HydrophobicContact CB-CG 4Å; F175-F1176 HydrophobicContact CD1-CB 4.17Å; F175-F1176 HydrophobicContact CD1-CD1 4.28Å; F175-F1176 AromaticContact CD1-CD2 3.83Å; F175-F1176 HydrophobicContact CD1-CD2 3.83Å; F175-F1176 HydrophobicContact CD1-CE2 4.26Å; F175-F1176 AromaticContact CD1-CG 3.84Å; F175-F1176 HydrophobicContact CD1-CG 3.84Å; F175-F1176 HydrophobicContact CE1-CD2 4.27Å; F175-F1176 HydrophobicContact CE1-CE2 4.43Å; F175-F1176 HydrophobicContact CG-CD1 4.08Å; F175-F1176 HydrophobicContact CG-CD2 4.4Å; F175-F1176 HydrophobicContact CG-CE1 4.31Å; F175-F1176 HydrophobicContact CG-CG 4.11Å; L1172-F1176 HydrophobicContact CD2-CE2 4.18Å; L1172-F1176 WeakPolarHBondContact O-CD2 3.35Å; V1173-F1176 PolarHBondContact O-N 2.97Å; V1174-F1176 PolarHBondContact O-N 3.42Å; F1176-I1200 HydrophobicContact CD1-CD1 4.48Å; F1176-I1200 HydrophobicContact CD1-CG2 4.38Å; F1176-I1200 HydrophobicContact CE1-CB 4.3Å; F1176-I1200 HydrophobicContact CE1-CG2 3.45Å; F1176-I1200 VanDerWaalsContact CE1-CG2 3.45Å; F1176-I1200 HydrophobicContact CZ-CG2 3.73Å; F1176-F1263 HydrophobicContact CD2-CE1 4.25Å; F1176-F1263 HydrophobicContact CD2-CZ 4.37Å; F1176-F1263 HydrophobicContact CE1-CE1 4.46Å; F1176-F1263 AromaticContact CE2-CE1 3.71Å; F1176-F1263 HydrophobicContact CE2-CE1 3.71Å; F1176-F1263 AromaticContact CE2-CZ 3.81Å; F1176-F1263 HydrophobicContact CE2-CZ 3.81Å; F1176-F1263 AromaticContact CZ-CE1 3.83Å; F1176-F1263 HydrophobicContact CZ-CE1 3.83Å; F1176-F1263 HydrophobicContact CZ-CZ 4.33Å |
| 1177 | L | 94.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 8.8 Ų | 8.8 | 2% | 0.016 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -86.1 | -25.3 | -178.1 | -82.8 | 62.8 | 0 | 0 | 0 | 113.2 | Y177 L243 V1173 V1174 P1175 P1306 | Y177-L1177 HydrophobicContact CD1-CD2 4.17Å; Y177-L1177 HydrophobicContact CD1-CG 4.38Å; L243-L1177 HydrophobicContact CD2-CB 3.97Å; L243-L1177 HydrophobicContact CD2-CD2 4.26Å; V1173-L1177 HydrophobicContact CG1-CD1 4.08Å; V1174-L1177 PolarHBondContact O-N 3.01Å; P1175-L1177 VanDerWaalsContact C-N 3.29Å; P1175-L1177 PolarHBondContact O-N 2.87Å; L1177-P1306 HydrophobicContact CD2-CB 3.9Å; L1177-P1306 HydrophobicContact CD2-CG 4.06Å |
| 1178 | M | 92.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 11.3 Ų | 11.3 | 1% | 0.005 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -101 | -11.3 | -176.6 | -67 | -84.2 | 72.1 | 0 | 0 | 115.6 | L243 V1174 P1175 D1181 L1182 A1340 F1341 | L243-M1178 HydrophobicContact CD1-CE 3.59Å; L243-M1178 HydrophobicContact CD1-SD 3.78Å; L243-M1178 HydrophobicContact CD2-CE 3.88Å; L243-M1178 HydrophobicContact CG-CE 4.22Å; V1174-M1178 HydrophobicContact CG1-CB 4.47Å; V1174-M1178 HydrophobicContact CG1-CG 3.94Å; V1174-M1178 WeakPolarHBondContact O-CB 3.36Å; V1174-M1178 PolarHBondContact O-N 3.47Å; P1175-M1178 PolarHBondContact O-N 2.83Å; M1178-D1181 HydrophobicContact CE-CB 4.04Å; M1178-D1181 WeakPolarHBondContact CE-OD2 3.39Å; M1178-D1181 PolarHBondContact O-N 2.83Å; M1178-L1182 PolarHBondContact O-N 2.87Å; M1178-L1182 VanDerWaalsContact O-N 3.1Å; M1178-A1340 HydrophobicContact CG-CB 4.17Å; M1178-A1340 HydrophobicContact SD-CB 4.22Å; M1178-F1341 HydrophobicContact CB-CE2 3.93Å; M1178-F1341 HydrophobicContact CB-CZ 3.93Å |
| 1179 | L | 92.2 | Very high | 89 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -53.9 | -45.8 | 174.4 | -117.4 | 82 | 0 | 0 | 0 | 113.2 | P1175 D1181 L1182 L1183 I1196 I1197 I1200 L1246 F1341 | P1175-L1179 HydrophobicContact CB-CD1 4.19Å; P1175-L1179 WeakPolarHBondContact O-CB 3.39Å; P1175-L1179 WeakPolarHBondContact O-CD1 3.28Å; P1175-L1179 PolarHBondContact O-N 3.18Å; L1179-D1181 VanDerWaalsContact C-N 3.32Å; L1179-D1181 PolarHBondContact O-N 3.12Å; L1179-L1182 WeakPolarHBondContact O-CB 3.46Å; L1179-L1182 PolarHBondContact O-N 3.09Å; L1179-L1183 WeakPolarHBondContact O-CD1 3.47Å; L1179-L1183 VanDerWaalsContact O-CG 3.28Å; L1179-L1183 WeakPolarHBondContact O-CG 3.21Å; L1179-L1183 PolarHBondContact O-N 3.1Å; L1179-L1183 VanDerWaalsContact O-N 3.08Å; L1179-I1196 HydrophobicContact CD2-CB 4.08Å; L1179-I1196 HydrophobicContact CD2-CG2 3.29Å; L1179-I1197 HydrophobicContact CD2-CG1 4.31Å; L1179-I1200 HydrophobicContact CD1-CD1 4.41Å; L1179-I1200 HydrophobicContact CD2-CD1 3.86Å; L1179-L1246 HydrophobicContact CD1-CD1 4.04Å; L1179-F1341 HydrophobicContact CD1-CE1 3.84Å; L1179-F1341 HydrophobicContact CD1-CZ 4Å |
| 1180 | P | 90.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.006 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.5 | -36.2 | 179.9 | -28.1 | 39.9 | 0 | 0 | 0 | 113.2 | L179 P183 L1183 A1184 I1197 | L179-P1180 HydrophobicContact CD2-CB 4.4Å; L179-P1180 HydrophobicContact CD2-CG 3.79Å; L179-P1180 HydrophobicContact CG-CG 4.33Å; P183-P1180 HydrophobicContact CG-CB 3.56Å; P1180-L1183 PolarHBondContact O-N 3.16Å; P1180-A1184 VanDerWaalsContact O-CB 3.26Å; P1180-A1184 WeakPolarHBondContact O-CB 3.22Å; P1180-A1184 PolarHBondContact O-N 3.36Å; P1180-I1197 HydrophobicContact CG-CD1 3.92Å |
| 1181 | D | 88.3 | Confident | 88.4 | Confident | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -69 | -41.1 | 174.3 | -91.3 | -18.8 | 0 | 0 | 0 | 112.5 | P183 R239 M1178 L1179 L1183 A1184 E1185 R1313 | P183-D1181 WeakPolarHBondContact CB-OD1 3.4Å; R239-D1181 VanDerWaalsContact CD-OD2 3.29Å; R239-D1181 WeakPolarHBondContact CD-OD2 3.45Å; R239-D1181 IonicContact CZ-OD1 3.31Å; R239-D1181 IonicContact CZ-OD2 3.73Å; R239-D1181 VanDerWaalsContact NE-CG 3.32Å; R239-D1181 IonicContact NE-OD1 3.36Å; R239-D1181 PolarHBondContact NE-OD1 3.05Å; R239-D1181 VanDerWaalsContact NE-OD1 3.08Å; R239-D1181 IonicContact NE-OD2 3.39Å; R239-D1181 PolarHBondContact NE-OD2 3.35Å; R239-D1181 IonicContact NH2-OD1 3.86Å; R239-D1181 PolarHBondContact NH2-OD1 2.87Å; R239-D1181 IonicContact NH2-OD2 2.66Å; M1178-D1181 HydrophobicContact CE-CB 4.04Å; M1178-D1181 WeakPolarHBondContact CE-OD2 3.39Å; M1178-D1181 PolarHBondContact O-N 2.83Å; L1179-D1181 VanDerWaalsContact C-N 3.32Å; L1179-D1181 PolarHBondContact O-N 3.12Å; D1181-L1183 PolarHBondContact O-N 2.84Å; D1181-A1184 PolarHBondContact O-N 3.26Å; D1181-E1185 WeakPolarHBondContact O-CB 3.19Å; D1181-E1185 WeakPolarHBondContact O-CG 3.29Å; D1181-E1185 PolarHBondContact O-N 3.34Å; D1181-R1313 VanDerWaalsContact CG-CZ 3.5Å; D1181-R1313 IonicContact OD1-CZ 2.72Å; D1181-R1313 IonicContact OD1-NH1 3.78Å; D1181-R1313 PolarHBondContact OD1-NH1 3.06Å; D1181-R1313 IonicContact OD2-CZ 3.37Å; D1181-R1313 IonicContact OD2-NE 2.74Å; D1181-R1313 IonicContact OD2-NH1 2.81Å; D1181-R1313 PolarHBondContact OD2-NH1 3.18Å |
| 1182 | L | 88.5 | Confident | 88.3 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.6 | -35.1 | 176.3 | 176.9 | 67.3 | 0 | 0 | 0 | 112.1 | M1178 L1179 L1246 P1247 R1250 L1256 S1337 F1341 | M1178-L1182 PolarHBondContact O-N 2.87Å; M1178-L1182 VanDerWaalsContact O-N 3.1Å; L1179-L1182 WeakPolarHBondContact O-CB 3.46Å; L1179-L1182 PolarHBondContact O-N 3.09Å; L1182-L1246 HydrophobicContact CD2-CB 4.49Å; L1182-P1247 HydrophobicContact CD1-CB 4.39Å; L1182-R1250 HydrophobicContact CD1-CB 4.19Å; L1182-R1250 HydrophobicContact CG-CB 4.38Å; L1182-L1256 HydrophobicContact CD2-CD1 4.22Å; L1182-S1337 WeakPolarHBondContact CD1-OG 3.27Å; L1182-F1341 HydrophobicContact CB-CE2 3.86Å; L1182-F1341 HydrophobicContact CB-CZ 4.19Å; L1182-F1341 HydrophobicContact CD1-CE2 4.4Å; L1182-F1341 HydrophobicContact CD2-CD2 4.36Å; L1182-F1341 HydrophobicContact CD2-CE1 4.36Å; L1182-F1341 HydrophobicContact CD2-CE2 3.83Å; L1182-F1341 HydrophobicContact CD2-CZ 3.82Å; L1182-F1341 HydrophobicContact CG-CE2 4.24Å |
| 1183 | L | 88.2 | Confident | 88.2 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -82.7 | -40.1 | -179.3 | -69.4 | 164.9 | 0 | 0 | 0 | 111.9 | L1179 P1180 D1181 M1186 N1187 W1188 S1193 I1196 L1256 | L1179-L1183 WeakPolarHBondContact O-CD1 3.47Å; L1179-L1183 VanDerWaalsContact O-CG 3.28Å; L1179-L1183 WeakPolarHBondContact O-CG 3.21Å; L1179-L1183 PolarHBondContact O-N 3.1Å; L1179-L1183 VanDerWaalsContact O-N 3.08Å; P1180-L1183 PolarHBondContact O-N 3.16Å; D1181-L1183 PolarHBondContact O-N 2.84Å; L1183-M1186 CarbonylContact O-C 3.52Å; L1183-M1186 WeakPolarHBondContact O-CA 3.48Å; L1183-M1186 WeakPolarHBondContact O-CB 3.49Å; L1183-M1186 PolarHBondContact O-N 3.13Å; L1183-N1187 PolarHBondContact O-N 2.88Å; L1183-W1188 HydrophobicContact CB-CB 4.15Å; L1183-W1188 HydrophobicContact CD2-CG 4.26Å; L1183-W1188 PolarHBondContact O-N 3.37Å; L1183-S1193 WeakPolarHBondContact CD1-OG 3.46Å; L1183-I1196 HydrophobicContact CD1-CD1 3.44Å; L1183-I1196 VanDerWaalsContact CD1-CD1 3.44Å; L1183-I1196 HydrophobicContact CD2-CD1 3.6Å; L1183-I1196 HydrophobicContact CG-CD1 4.17Å; L1183-L1256 HydrophobicContact CD2-CD1 4.37Å; L1183-L1256 HydrophobicContact CD2-CD2 4.16Å |
| 1184 | A | 83.2 | Confident | 88.2 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 2% | 0.017 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.5 | -39.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P183 C185 C224 P226 P1180 D1181 M1186 N1187 | P183-A1184 HydrophobicContact CB-CB 3.84Å; P183-A1184 HydrophobicContact CG-CB 4.19Å; P183-A1184 WeakPolarHBondContact O-CB 3.44Å; C185-A1184 PolarHBondContact SG-O 3.39Å; C224-A1184 PolarHBondContact SG-O 2.96Å; C224-A1184 VanDerWaalsContact SG-O 3.35Å; P226-A1184 HydrophobicContact CB-CB 3.67Å; P226-A1184 HydrophobicContact CG-CB 3.43Å; P226-A1184 VanDerWaalsContact CG-CB 3.43Å; P1180-A1184 VanDerWaalsContact O-CB 3.26Å; P1180-A1184 WeakPolarHBondContact O-CB 3.22Å; P1180-A1184 PolarHBondContact O-N 3.36Å; D1181-A1184 PolarHBondContact O-N 3.26Å; A1184-M1186 PolarHBondContact O-N 3.38Å; A1184-N1187 WeakPolarHBondContact O-CA 3.2Å; A1184-N1187 PolarHBondContact O-N 3.15Å |
| 1185 | E | 79.1 | Confident | 88.2 | Confident | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.019 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -21.3 | 171.7 | -80.6 | 173.5 | -167.8 | 0 | 0 | 113.3 | P226 D1181 R1250 R1313 H1334 S1337 | P226-E1185 HydrophobicContact CG-CG 3.91Å; D1181-E1185 WeakPolarHBondContact O-CB 3.19Å; D1181-E1185 WeakPolarHBondContact O-CG 3.29Å; D1181-E1185 PolarHBondContact O-N 3.34Å; E1185-R1250 IonicContact OE2-NH1 3.63Å; E1185-R1313 IonicContact OE1-CZ 2.78Å; E1185-R1313 VanDerWaalsContact OE1-CZ 3.23Å; E1185-R1313 IonicContact OE1-NE 3.27Å; E1185-R1313 PolarHBondContact OE1-NE 3.07Å; E1185-R1313 IonicContact OE1-NH2 2.76Å; E1185-R1313 PolarHBondContact OE1-NH2 3.06Å; E1185-H1334 VanDerWaalsContact OE2-O 3.09Å; E1185-S1337 WeakPolarHBondContact OE1-CB 3.41Å; E1185-S1337 PolarHBondContact OE1-N 3.4Å; E1185-S1337 VanDerWaalsContact OE2-CB 3.3Å; E1185-S1337 WeakPolarHBondContact OE2-CB 3.43Å; E1185-S1337 PolarHBondContact OE2-N 2.99Å; E1185-S1337 PolarHBondContact OE2-OG 3.29Å |
| 1186 | M | 77.2 | Confident | 88.3 | Confident | 41 Ų | 41 | 28.5 Ų | 28.5 | 20% | 0.202 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 1.7 | 176.2 | -69.7 | -64.4 | -51.9 | 0 | 0 | 113.8 | L1183 A1184 R1250 R1251 A1333 | L1183-M1186 CarbonylContact O-C 3.52Å; L1183-M1186 WeakPolarHBondContact O-CA 3.48Å; L1183-M1186 WeakPolarHBondContact O-CB 3.49Å; L1183-M1186 PolarHBondContact O-N 3.13Å; A1184-M1186 PolarHBondContact O-N 3.38Å; M1186-R1250 HydrophobicContact CG-CB 4.32Å; M1186-R1250 HydrophobicContact CG-CG 4.08Å; M1186-R1250 HydrophobicContact SD-CG 4.06Å; M1186-R1251 HydrophobicContact CE-CG 4.04Å; M1186-A1333 HydrophobicContact SD-CB 4.22Å |
| 1187 | N | 76.3 | Confident | 88.4 | Confident | 43 Ų | 43 | 28.2 Ų | 28.2 | 23% | 0.23 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 34.5 | -172.5 | -60.9 | -102.4 | 0 | 0 | 0 | 115.3 | C224 L1183 A1184 | C224-N1187 PolarHBondContact SG-ND2 3.36Å; C224-N1187 VanDerWaalsContact SG-ND2 3.36Å; C224-N1187 PolarHBondContact SG-OD1 2.88Å; L1183-N1187 PolarHBondContact O-N 2.88Å; A1184-N1187 WeakPolarHBondContact O-CA 3.2Å; A1184-N1187 PolarHBondContact O-N 3.15Å |
| 1188 | W | 82.3 | Confident | 88.5 | Confident | 90 Ų | 90 | 28.5 Ų | 28.5 | 34% | 0.341 | 13% | 0.132 | S | C | . | . | trans | -77.9 | 164.3 | 163.4 | -62.2 | 104.7 | 0 | 0 | 0 | 111.2 | L1183 D1192 Y1253 | L1183-W1188 HydrophobicContact CB-CB 4.15Å; L1183-W1188 HydrophobicContact CD2-CG 4.26Å; L1183-W1188 PolarHBondContact O-N 3.37Å; W1188-D1192 HydrophobicContact CB-CB 4.21Å; W1188-Y1253 HydrophobicContact CD2-CD2 4.21Å; W1188-Y1253 HydrophobicContact CE3-CD2 4.15Å; W1188-Y1253 HydrophobicContact CH2-CD2 4.45Å; W1188-Y1253 HydrophobicContact CH2-CG 4.25Å; W1188-Y1253 HydrophobicContact CZ2-CD2 4.48Å; W1188-Y1253 HydrophobicContact CZ3-CD2 4.26Å; W1188-Y1253 HydrophobicContact CZ3-CG 4.28Å | ||
| 1189 | K | 84.6 | Confident | 88.6 | Confident | 136 Ų | 136 | 29.1 Ų | 29.1 | 59% | 0.591 | 14% | 0.136 | S | C | * | . | trans | -85.1 | 166 | 179.5 | -60 | 178.5 | 177.1 | -179.2 | 0 | 112.6 | E1191 D1192 S1193 | K1189-E1191 VanDerWaalsContact C-N 3.27Å; K1189-E1191 PolarHBondContact O-N 3.34Å; K1189-D1192 VanDerWaalsContact CB-OD2 3.32Å; K1189-D1192 WeakPolarHBondContact CB-OD2 3.46Å; K1189-D1192 PolarHBondContact N-OD2 2.82Å; K1189-D1192 PolarHBondContact O-N 2.85Å; K1189-S1193 PolarHBondContact O-N 3.28Å; K1189-S1193 VanDerWaalsContact O-N 3.11Å; K1189-S1193 PolarHBondContact O-OG 2.72Å | ||
| 1190 | L | 87.2 | Confident | 88.8 | Confident | 24 Ų | 24 | 29.2 Ų | 29.2 | 13% | 0.126 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.2 | -35.6 | 169.4 | -167.2 | 72.3 | 0 | 0 | 0 | 112 | L179 P350 V353 S1193 G1194 | L179-L1190 HydrophobicContact CD2-CD1 3.97Å; P350-L1190 HydrophobicContact CB-CD2 4.04Å; P350-L1190 HydrophobicContact CB-CG 4.01Å; P350-L1190 HydrophobicContact CG-CG 4.49Å; V353-L1190 HydrophobicContact CB-CD2 4.36Å; V353-L1190 HydrophobicContact CG1-CD2 4.18Å; L1190-S1193 WeakPolarHBondContact O-CB 3.36Å; L1190-S1193 PolarHBondContact O-N 3.08Å; L1190-G1194 PolarHBondContact O-N 3.41Å |
| 1191 | E | 89.1 | Confident | 89 | Confident | 100 Ų | 100 | 29.1 Ų | 29.1 | 47% | 0.467 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -64.5 | -42 | 176.8 | -60 | -174.5 | 131.9 | 0 | 0 | 112.2 | K1189 S1193 G1194 F1195 | K1189-E1191 VanDerWaalsContact C-N 3.27Å; K1189-E1191 PolarHBondContact O-N 3.34Å; E1191-S1193 VanDerWaalsContact C-N 3.31Å; E1191-S1193 PolarHBondContact O-N 3.3Å; E1191-G1194 PolarHBondContact O-N 2.95Å; E1191-F1195 PolarHBondContact O-N 3.11Å |
| 1192 | D | 90.7 | Very high | 89.3 | Confident | 40 Ų | 40 | 30.1 Ų | 30.1 | 21% | 0.214 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62 | -42 | 174.9 | -55.1 | -38.1 | 0 | 0 | 0 | 110.4 | W1188 K1189 G1194 F1195 I1196 Y1253 | W1188-D1192 HydrophobicContact CB-CB 4.21Å; K1189-D1192 VanDerWaalsContact CB-OD2 3.32Å; K1189-D1192 WeakPolarHBondContact CB-OD2 3.46Å; K1189-D1192 PolarHBondContact N-OD2 2.82Å; K1189-D1192 PolarHBondContact O-N 2.85Å; D1192-G1194 VanDerWaalsContact C-N 3.35Å; D1192-G1194 PolarHBondContact O-N 3.23Å; D1192-F1195 PolarHBondContact O-N 3.02Å; D1192-I1196 WeakPolarHBondContact O-CG1 3.29Å; D1192-I1196 PolarHBondContact O-N 3.44Å; D1192-I1196 VanDerWaalsContact O-N 3.11Å; D1192-Y1253 HydrophobicContact CB-CE2 3.83Å; D1192-Y1253 PolarHBondContact O-OH 2.89Å |
| 1193 | S | 92.2 | Very high | 89.6 | Confident | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63 | -40.1 | 175.4 | -54 | 0 | 0 | 0 | 0 | 112.5 | L1183 K1189 L1190 E1191 I1196 I1197 | L1183-S1193 WeakPolarHBondContact CD1-OG 3.46Å; K1189-S1193 PolarHBondContact O-N 3.28Å; K1189-S1193 VanDerWaalsContact O-N 3.11Å; K1189-S1193 PolarHBondContact O-OG 2.72Å; L1190-S1193 WeakPolarHBondContact O-CB 3.36Å; L1190-S1193 PolarHBondContact O-N 3.08Å; E1191-S1193 VanDerWaalsContact C-N 3.31Å; E1191-S1193 PolarHBondContact O-N 3.3Å; S1193-I1196 PolarHBondContact O-N 3Å; S1193-I1197 PolarHBondContact O-N 3.23Å; S1193-I1197 VanDerWaalsContact O-N 3.07Å |
| 1194 | G | 93.5 | Very high | 90 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.1 | -43 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G346 L1190 E1191 D1192 I1196 I1197 S1198 | G346-G1194 CarbonylContact C-O 3.27Å; G346-G1194 WeakPolarHBondContact CA-O 3.01Å; G346-G1194 CarbonylContact O-C 3.55Å; G346-G1194 VanDerWaalsContact O-C 3.24Å; G346-G1194 WeakPolarHBondContact O-CA 3.37Å; L1190-G1194 PolarHBondContact O-N 3.41Å; E1191-G1194 PolarHBondContact O-N 2.95Å; D1192-G1194 VanDerWaalsContact C-N 3.35Å; D1192-G1194 PolarHBondContact O-N 3.23Å; G1194-I1196 VanDerWaalsContact C-N 3.33Å; G1194-I1196 PolarHBondContact O-N 3.33Å; G1194-I1197 PolarHBondContact O-N 2.92Å; G1194-S1198 WeakPolarHBondContact O-CB 3.25Å; G1194-S1198 PolarHBondContact O-N 3.28Å; G1194-S1198 PolarHBondContact O-OG 2.74Å |
| 1195 | F | 95.4 | Very high | 90.5 | Very high | 99 Ų | 99 | 31.2 Ų | 31.2 | 43% | 0.434 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -61.2 | -39.8 | 176.2 | -176.1 | -97.2 | 0 | 0 | 0 | 112.6 | E1191 D1192 S1198 S1199 Y1253 V1257 | E1191-F1195 PolarHBondContact O-N 3.11Å; D1192-F1195 PolarHBondContact O-N 3.02Å; F1195-S1198 CarbonylContact O-C 3.36Å; F1195-S1198 WeakPolarHBondContact O-CB 3.41Å; F1195-S1198 PolarHBondContact O-N 3.39Å; F1195-S1199 PolarHBondContact O-N 3.3Å; F1195-Y1253 WeakPolarHBondContact CD1-OH 3.31Å; F1195-V1257 HydrophobicContact CD1-CG2 4.13Å; F1195-V1257 HydrophobicContact CE1-CG1 3.99Å; F1195-V1257 HydrophobicContact CE1-CG2 4.08Å |
| 1196 | I | 95 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.2 | -41.5 | 177.6 | -61.4 | 156.9 | 0 | 0 | 0 | 111.4 | L1179 L1183 D1192 S1193 G1194 S1198 S1199 I1200 Y1253 L1256 V1257 S1260 | L1179-I1196 HydrophobicContact CD2-CB 4.08Å; L1179-I1196 HydrophobicContact CD2-CG2 3.29Å; L1183-I1196 HydrophobicContact CD1-CD1 3.44Å; L1183-I1196 VanDerWaalsContact CD1-CD1 3.44Å; L1183-I1196 HydrophobicContact CD2-CD1 3.6Å; L1183-I1196 HydrophobicContact CG-CD1 4.17Å; D1192-I1196 WeakPolarHBondContact O-CG1 3.29Å; D1192-I1196 PolarHBondContact O-N 3.44Å; D1192-I1196 VanDerWaalsContact O-N 3.11Å; S1193-I1196 PolarHBondContact O-N 3Å; G1194-I1196 VanDerWaalsContact C-N 3.33Å; G1194-I1196 PolarHBondContact O-N 3.33Å; I1196-S1198 PolarHBondContact O-N 3.13Å; I1196-S1199 PolarHBondContact O-N 2.9Å; I1196-S1199 PolarHBondContact O-OG 3.43Å; I1196-S1199 VanDerWaalsContact O-OG 3.04Å; I1196-I1200 PolarHBondContact O-N 3.22Å; I1196-Y1253 HydrophobicContact CD1-CD2 3.98Å; I1196-Y1253 HydrophobicContact CD1-CE2 3.41Å; I1196-Y1253 VanDerWaalsContact CD1-CE2 3.41Å; I1196-Y1253 HydrophobicContact CG1-CE2 3.88Å; I1196-L1256 HydrophobicContact CB-CD2 4.47Å; I1196-L1256 HydrophobicContact CD1-CD2 3.48Å; I1196-L1256 VanDerWaalsContact CD1-CD2 3.48Å; I1196-L1256 HydrophobicContact CG1-CD2 4.08Å; I1196-L1256 HydrophobicContact CG2-CD2 3.67Å; I1196-V1257 HydrophobicContact CG1-CG2 3.73Å; I1196-S1260 VanDerWaalsContact CG2-CB 3.46Å; I1196-S1260 WeakPolarHBondContact CG2-OG 3.41Å |
| 1197 | I | 94.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.2 | -33 | 172.2 | -71.6 | 171 | 0 | 0 | 0 | 110.8 | T176 L179 L1179 P1180 S1193 G1194 I1200 G1201 | T176-I1197 HydrophobicContact CG2-CG2 4.13Å; L179-I1197 HydrophobicContact CD1-CD1 3.94Å; L179-I1197 HydrophobicContact CD2-CD1 4.01Å; L179-I1197 HydrophobicContact CG-CD1 3.81Å; L1179-I1197 HydrophobicContact CD2-CG1 4.31Å; P1180-I1197 HydrophobicContact CG-CD1 3.92Å; S1193-I1197 PolarHBondContact O-N 3.23Å; S1193-I1197 VanDerWaalsContact O-N 3.07Å; G1194-I1197 PolarHBondContact O-N 2.92Å; I1197-I1200 PolarHBondContact O-N 2.99Å; I1197-G1201 PolarHBondContact O-N 3.08Å |
| 1198 | S | 96.6 | Very high | 92.6 | Very high | 10 Ų | 10 | 34 Ų | 34 | 7% | 0.07 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.8 | -33.2 | 172.1 | -47.9 | 0 | 0 | 0 | 0 | 112.8 | L343 G346 Q347 G1194 F1195 I1196 G1201 A1202 | L343-S1198 PolarHBondContact O-OG 3.42Å; G346-S1198 VanDerWaalsContact C-OG 3.27Å; G346-S1198 WeakPolarHBondContact CA-OG 3.39Å; Q347-S1198 PolarHBondContact N-OG 2.92Å; Q347-S1198 PolarHBondContact NE2-OG 3.02Å; G1194-S1198 WeakPolarHBondContact O-CB 3.25Å; G1194-S1198 PolarHBondContact O-N 3.28Å; G1194-S1198 PolarHBondContact O-OG 2.74Å; F1195-S1198 CarbonylContact O-C 3.36Å; F1195-S1198 WeakPolarHBondContact O-CB 3.41Å; F1195-S1198 PolarHBondContact O-N 3.39Å; I1196-S1198 PolarHBondContact O-N 3.13Å; S1198-G1201 PolarHBondContact O-N 2.85Å; S1198-A1202 PolarHBondContact O-N 2.9Å |
| 1199 | S | 95.4 | Very high | 93.1 | Very high | 14 Ų | 14 | 32.8 Ų | 32.8 | 10% | 0.098 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71.2 | -34.7 | 174.7 | 89.7 | 0 | 0 | 0 | 0 | 112.2 | F1195 I1196 G1201 A1202 G1203 V1257 | F1195-S1199 PolarHBondContact O-N 3.3Å; I1196-S1199 PolarHBondContact O-N 2.9Å; I1196-S1199 PolarHBondContact O-OG 3.43Å; I1196-S1199 VanDerWaalsContact O-OG 3.04Å; S1199-G1201 VanDerWaalsContact C-N 3.33Å; S1199-A1202 PolarHBondContact O-N 3.44Å; S1199-G1203 PolarHBondContact O-N 3.42Å; S1199-V1257 PolarHBondContact OG-O 3.05Å; S1199-V1257 VanDerWaalsContact OG-O 3.07Å |
| 1200 | I | 96.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.7 | -46 | 167.2 | -54.9 | 172.4 | 0 | 0 | 0 | 109.7 | F1176 L1179 I1196 I1197 G1203 N1204 S1260 F1263 G1264 | F1176-I1200 HydrophobicContact CD1-CD1 4.48Å; F1176-I1200 HydrophobicContact CD1-CG2 4.38Å; F1176-I1200 HydrophobicContact CE1-CB 4.3Å; F1176-I1200 HydrophobicContact CE1-CG2 3.45Å; F1176-I1200 VanDerWaalsContact CE1-CG2 3.45Å; F1176-I1200 HydrophobicContact CZ-CG2 3.73Å; L1179-I1200 HydrophobicContact CD1-CD1 4.41Å; L1179-I1200 HydrophobicContact CD2-CD1 3.86Å; I1196-I1200 PolarHBondContact O-N 3.22Å; I1197-I1200 PolarHBondContact O-N 2.99Å; I1200-G1203 PolarHBondContact O-N 3.02Å; I1200-N1204 VanDerWaalsContact O-CB 3.3Å; I1200-N1204 WeakPolarHBondContact O-CB 3.3Å; I1200-N1204 PolarHBondContact O-N 3.27Å; I1200-S1260 WeakPolarHBondContact CG1-O 3.43Å; I1200-F1263 HydrophobicContact CD1-CD1 4.04Å; I1200-F1263 HydrophobicContact CD1-CE1 4.28Å; I1200-F1263 HydrophobicContact CG1-CD1 4.18Å; I1200-F1263 HydrophobicContact CG2-CD1 3.71Å; I1200-F1263 HydrophobicContact CG2-CE1 3.91Å; I1200-G1264 WeakPolarHBondContact O-CA 3.43Å |
| 1201 | G | 95.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.9 | -45.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G339 I1197 S1198 S1199 N1204 T1205 | G339-G1201 CarbonylContact C-O 3.28Å; G339-G1201 WeakPolarHBondContact CA-O 3.48Å; G339-G1201 CarbonylContact O-C 3.55Å; G339-G1201 VanDerWaalsContact O-C 3.29Å; G339-G1201 WeakPolarHBondContact O-CA 3.45Å; I1197-G1201 PolarHBondContact O-N 3.08Å; S1198-G1201 PolarHBondContact O-N 2.85Å; S1199-G1201 VanDerWaalsContact C-N 3.33Å; G1201-N1204 PolarHBondContact O-N 3.01Å; G1201-T1205 PolarHBondContact O-N 3.33Å; G1201-T1205 PolarHBondContact O-OG1 3.37Å |
| 1202 | A | 95.3 | Very high | 92.8 | Very high | 25 Ų | 25 | 27.6 Ų | 27.6 | 21% | 0.207 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.9 | -52.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L343 S1198 S1199 N1204 T1205 F1206 | L343-A1202 HydrophobicContact CD1-CB 4.05Å; S1198-A1202 PolarHBondContact O-N 2.9Å; S1199-A1202 PolarHBondContact O-N 3.44Å; A1202-N1204 VanDerWaalsContact C-N 3.3Å; A1202-N1204 PolarHBondContact O-N 3.07Å; A1202-T1205 WeakPolarHBondContact O-CB 3.48Å; A1202-T1205 PolarHBondContact O-N 2.97Å; A1202-T1205 VanDerWaalsContact O-N 3.14Å; A1202-F1206 WeakPolarHBondContact O-CD2 3.16Å; A1202-F1206 PolarHBondContact O-N 3.47Å |
| 1203 | G | 95.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -55.7 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1199 I1200 T1205 F1206 G1207 L1265 | S1199-G1203 PolarHBondContact O-N 3.42Å; I1200-G1203 PolarHBondContact O-N 3.02Å; G1203-T1205 VanDerWaalsContact C-N 3.35Å; G1203-T1205 PolarHBondContact O-N 2.93Å; G1203-F1206 PolarHBondContact O-N 3.06Å; G1203-G1207 PolarHBondContact O-N 3.12Å; G1203-L1265 VanDerWaalsContact O-CA 3.26Å; G1203-L1265 WeakPolarHBondContact O-CA 3.42Å |
| 1204 | N | 94.7 | Very high | 92 | Very high | 9 Ų | 9 | 35.4 Ų | 35.4 | 5% | 0.048 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.3 | -36 | 179.2 | -155.7 | -92.5 | 0 | 0 | 0 | 112.4 | I1200 G1201 A1202 R1208 G1264 S1267 A1268 | I1200-N1204 VanDerWaalsContact O-CB 3.3Å; I1200-N1204 WeakPolarHBondContact O-CB 3.3Å; I1200-N1204 PolarHBondContact O-N 3.27Å; G1201-N1204 PolarHBondContact O-N 3.01Å; A1202-N1204 VanDerWaalsContact C-N 3.3Å; A1202-N1204 PolarHBondContact O-N 3.07Å; N1204-R1208 WeakPolarHBondContact O-CG 3.28Å; N1204-R1208 PolarHBondContact O-N 3.3Å; N1204-R1208 VanDerWaalsContact OD1-CZ 3.27Å; N1204-R1208 PolarHBondContact OD1-NE 2.98Å; N1204-R1208 PolarHBondContact OD1-NH2 2.99Å; N1204-G1264 VanDerWaalsContact CA-O 3.22Å; N1204-G1264 WeakPolarHBondContact CA-O 3.4Å; N1204-G1264 PolarHBondContact ND2-O 3.01Å; N1204-S1267 PolarHBondContact ND2-OG 3.42Å; N1204-S1267 VanDerWaalsContact ND2-OG 3.11Å; N1204-A1268 HydrophobicContact CB-CB 4.48Å; N1204-A1268 WeakPolarHBondContact ND2-CA 3.48Å; N1204-A1268 PolarHBondContact ND2-N 2.93Å; N1204-A1268 WeakPolarHBondContact O-CB 3.37Å |
| 1205 | T | 94.6 | Very high | 91.2 | Very high | 16 Ų | 16 | 35.8 Ų | 35.8 | 10% | 0.098 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.7 | -50.8 | 175.9 | -51.1 | 0 | 0 | 0 | 0 | 111 | C336 G339 M340 G1201 A1202 G1203 R1208 L1209 | C336-T1205 HydrophobicContact CB-CG2 4.41Å; G339-T1205 WeakPolarHBondContact CA-OG1 3.27Å; M340-T1205 PolarHBondContact N-OG1 2.79Å; G1201-T1205 PolarHBondContact O-N 3.33Å; G1201-T1205 PolarHBondContact O-OG1 3.37Å; A1202-T1205 WeakPolarHBondContact O-CB 3.48Å; A1202-T1205 PolarHBondContact O-N 2.97Å; A1202-T1205 VanDerWaalsContact O-N 3.14Å; G1203-T1205 VanDerWaalsContact C-N 3.35Å; G1203-T1205 PolarHBondContact O-N 2.93Å; T1205-R1208 PolarHBondContact O-N 3.32Å; T1205-L1209 HydrophobicContact CG2-CD1 4.45Å; T1205-L1209 WeakPolarHBondContact O-CG 3.21Å; T1205-L1209 PolarHBondContact O-N 3.01Å; T1205-L1209 VanDerWaalsContact O-N 3.14Å |
| 1206 | F | 93.8 | Very high | 90.4 | Very high | 140 Ų | 140 | 32.7 Ų | 32.7 | 61% | 0.614 | 16% | 0.155 | S | C | * | . | H | α-helix | trans | -65.5 | -38.5 | 176.9 | -71 | -66.2 | 0 | 0 | 0 | 112.6 | A1202 G1203 R1208 L1209 F1210 | A1202-F1206 WeakPolarHBondContact O-CD2 3.16Å; A1202-F1206 PolarHBondContact O-N 3.47Å; G1203-F1206 PolarHBondContact O-N 3.06Å; F1206-R1208 PolarHBondContact O-N 3.04Å; F1206-L1209 PolarHBondContact O-N 3.21Å; F1206-F1210 WeakPolarHBondContact O-CB 3.25Å; F1206-F1210 PolarHBondContact O-N 3.44Å |
| 1207 | G | 91.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.1 | -39 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G1203 A1211 | G1203-G1207 PolarHBondContact O-N 3.12Å; G1207-A1211 WeakPolarHBondContact O-CB 3.44Å; G1207-A1211 PolarHBondContact O-N 3.45Å |
| 1208 | R | 92 | Very high | 88.1 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 2% | 0.019 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.5 | -50 | 174.7 | -72.1 | -174.7 | -159.6 | -147.7 | -7.6 | 111 | L335 C336 S338 N1204 T1205 F1206 F1210 A1211 T1212 A1268 | L335-R1208 VanDerWaalsContact O-CD 3.31Å; L335-R1208 WeakPolarHBondContact O-CD 3.39Å; L335-R1208 PolarHBondContact O-NH1 3.04Å; C336-R1208 VanDerWaalsContact SG-CB 3.56Å; S338-R1208 PolarHBondContact OG-NH1 3.16Å; S338-R1208 PolarHBondContact OG-NH2 2.93Å; N1204-R1208 WeakPolarHBondContact O-CG 3.28Å; N1204-R1208 PolarHBondContact O-N 3.3Å; N1204-R1208 VanDerWaalsContact OD1-CZ 3.27Å; N1204-R1208 PolarHBondContact OD1-NE 2.98Å; N1204-R1208 PolarHBondContact OD1-NH2 2.99Å; T1205-R1208 PolarHBondContact O-N 3.32Å; F1206-R1208 PolarHBondContact O-N 3.04Å; R1208-F1210 PolarHBondContact O-N 3.15Å; R1208-A1211 PolarHBondContact O-N 3.4Å; R1208-T1212 WeakPolarHBondContact O-CB 3.45Å; R1208-T1212 WeakPolarHBondContact O-CG2 3.42Å; R1208-T1212 PolarHBondContact O-N 3.32Å; R1208-T1212 PolarHBondContact O-OG1 3.34Å; R1208-A1268 HydrophobicContact CG-CB 3.67Å |
| 1209 | L | 91 | Very high | 86.5 | Confident | 65 Ų | 65 | 48 Ų | 48 | 34% | 0.34 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -56.4 | -47.4 | 178.4 | -69.2 | 171.9 | 0 | 0 | 0 | 112.3 | L333 T1205 F1206 T1212 F1213 | L333-L1209 HydrophobicContact CD2-CD2 3.59Å; T1205-L1209 HydrophobicContact CG2-CD1 4.45Å; T1205-L1209 WeakPolarHBondContact O-CG 3.21Å; T1205-L1209 PolarHBondContact O-N 3.01Å; T1205-L1209 VanDerWaalsContact O-N 3.14Å; F1206-L1209 PolarHBondContact O-N 3.21Å; L1209-T1212 PolarHBondContact O-N 3.39Å; L1209-T1212 PolarHBondContact O-OG1 3Å; L1209-T1212 VanDerWaalsContact O-OG1 3.08Å; L1209-F1213 WeakPolarHBondContact O-CB 3.41Å; L1209-F1213 PolarHBondContact O-N 3.19Å |
| 1210 | F | 88.3 | Confident | 84.9 | Confident | 147 Ų | 147 | 52 Ų | 52 | 65% | 0.645 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -64 | -46.2 | 178.2 | -177.6 | -94.9 | 0 | 0 | 0 | 111.7 | F1206 R1208 T1212 Y1214 | F1206-F1210 WeakPolarHBondContact O-CB 3.25Å; F1206-F1210 PolarHBondContact O-N 3.44Å; R1208-F1210 PolarHBondContact O-N 3.15Å; F1210-T1212 PolarHBondContact O-N 3.37Å; F1210-Y1214 WeakPolarHBondContact O-CB 3.5Å; F1210-Y1214 PolarHBondContact O-N 3.45Å |
| 1211 | A | 84.6 | Confident | 82.8 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G1207 R1208 Y1214 I1215 V1269 | G1207-A1211 WeakPolarHBondContact O-CB 3.44Å; G1207-A1211 PolarHBondContact O-N 3.45Å; R1208-A1211 PolarHBondContact O-N 3.4Å; A1211-Y1214 PolarHBondContact O-N 3.11Å; A1211-I1215 WeakPolarHBondContact O-CB 3.5Å; A1211-I1215 VanDerWaalsContact O-CD1 3.22Å; A1211-I1215 WeakPolarHBondContact O-CD1 3.46Å; A1211-I1215 WeakPolarHBondContact O-CG1 3.22Å; A1211-I1215 PolarHBondContact O-N 3.33Å; A1211-V1269 HydrophobicContact CB-CG1 4.38Å; A1211-V1269 HydrophobicContact CB-CG2 4.22Å |
| 1212 | T | 83.7 | Confident | 80.7 | Confident | 4 Ų | 4 | 61.9 Ų | 61.9 | 3% | 0.025 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70 | -37.9 | -175.3 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | G332 R1208 L1209 F1210 E1216 | G332-T1212 VanDerWaalsContact CA-CG2 3.42Å; R1208-T1212 WeakPolarHBondContact O-CB 3.45Å; R1208-T1212 WeakPolarHBondContact O-CG2 3.42Å; R1208-T1212 PolarHBondContact O-N 3.32Å; R1208-T1212 PolarHBondContact O-OG1 3.34Å; L1209-T1212 PolarHBondContact O-N 3.39Å; L1209-T1212 PolarHBondContact O-OG1 3Å; L1209-T1212 VanDerWaalsContact O-OG1 3.08Å; F1210-T1212 PolarHBondContact O-N 3.37Å; T1212-E1216 VanDerWaalsContact O-CB 3.3Å; T1212-E1216 WeakPolarHBondContact O-CB 3.23Å; T1212-E1216 PolarHBondContact O-N 3Å |
| 1213 | F | 83.7 | Confident | 78.5 | Confident | 135 Ų | 135 | 68.4 Ų | 68.4 | 59% | 0.592 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -70.9 | -39.7 | 174.9 | -170.7 | -101.2 | 0 | 0 | 0 | 112.1 | L1209 E1216 K1217 | L1209-F1213 WeakPolarHBondContact O-CB 3.41Å; L1209-F1213 PolarHBondContact O-N 3.19Å; F1213-E1216 PolarHBondContact O-N 3.02Å; F1213-K1217 PolarHBondContact O-N 3.05Å |
| 1214 | Y | 81.8 | Confident | 76.4 | Confident | 70 Ų | 70 | 79.6 Ų | 79.6 | 28% | 0.275 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 173.8 | -178.3 | -90 | 0 | 0 | 0 | 111.5 | F1210 A1211 A1218 W1225 A1226 M1231 | F1210-Y1214 WeakPolarHBondContact O-CB 3.5Å; F1210-Y1214 PolarHBondContact O-N 3.45Å; A1211-Y1214 PolarHBondContact O-N 3.11Å; Y1214-A1218 WeakPolarHBondContact O-CB 3.38Å; Y1214-A1218 PolarHBondContact O-N 3.46Å; Y1214-W1225 HydrophobicContact CE2-CH2 4.41Å; Y1214-W1225 WeakPolarHBondContact OH-CZ3 3.41Å; Y1214-A1226 HydrophobicContact CE1-CB 3.75Å; Y1214-M1231 HydrophobicContact CD1-CE 3.4Å; Y1214-M1231 VanDerWaalsContact CD1-CE 3.4Å; Y1214-M1231 HydrophobicContact CD1-SD 3.62Å; Y1214-M1231 HydrophobicContact CE1-CE 3.8Å; Y1214-M1231 HydrophobicContact CE1-CG 4.47Å; Y1214-M1231 HydrophobicContact CE1-SD 3.52Å; Y1214-M1231 VanDerWaalsContact CE1-SD 3.52Å; Y1214-M1231 HydrophobicContact CG-CE 4.34Å |
| 1215 | I | 76.3 | Confident | 74.4 | Confident | 8 Ų | 8 | 87.8 Ų | 87.8 | 4% | 0.041 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.5 | -44.3 | 175.5 | -65.2 | 157.3 | 0 | 0 | 0 | 110.7 | P328 A1211 A1218 W1219 M1231 L1273 I1276 | P328-I1215 HydrophobicContact CB-CG2 4.35Å; A1211-I1215 WeakPolarHBondContact O-CB 3.5Å; A1211-I1215 VanDerWaalsContact O-CD1 3.22Å; A1211-I1215 WeakPolarHBondContact O-CD1 3.46Å; A1211-I1215 WeakPolarHBondContact O-CG1 3.22Å; A1211-I1215 PolarHBondContact O-N 3.33Å; I1215-A1218 CarbonylContact O-C 3.58Å; I1215-A1218 PolarHBondContact O-N 3.43Å; I1215-W1219 VanDerWaalsContact O-CB 3.24Å; I1215-W1219 WeakPolarHBondContact O-CB 3.33Å; I1215-W1219 PolarHBondContact O-N 2.98Å; I1215-M1231 HydrophobicContact CG1-CE 4.32Å; I1215-M1231 HydrophobicContact CG1-SD 4.29Å; I1215-L1273 HydrophobicContact CD1-CD2 3.43Å; I1215-L1273 VanDerWaalsContact CD1-CD2 3.43Å; I1215-L1273 HydrophobicContact CD1-CG 4.07Å; I1215-L1273 HydrophobicContact CG1-CD2 4.18Å; I1215-I1276 HydrophobicContact CD1-CD1 4.04Å; I1215-I1276 HydrophobicContact CG2-CD1 4.19Å |
| 1216 | E | 77.6 | Confident | 72.8 | Confident | 34 Ų | 34 | 88 Ų | 88 | 16% | 0.159 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.3 | -48.4 | 178 | -174.8 | 175.1 | -155.3 | 0 | 0 | 111.4 | L329 T1212 F1213 A1218 W1219 S1220 | L329-E1216 WeakPolarHBondContact CB-OE2 3.47Å; L329-E1216 WeakPolarHBondContact CD2-OE2 3.3Å; T1212-E1216 VanDerWaalsContact O-CB 3.3Å; T1212-E1216 WeakPolarHBondContact O-CB 3.23Å; T1212-E1216 PolarHBondContact O-N 3Å; F1213-E1216 PolarHBondContact O-N 3.02Å; E1216-A1218 VanDerWaalsContact C-N 3.33Å; E1216-A1218 PolarHBondContact O-N 3.39Å; E1216-W1219 PolarHBondContact O-N 3.42Å; E1216-S1220 VanDerWaalsContact O-CB 3.25Å; E1216-S1220 WeakPolarHBondContact O-CB 3.48Å; E1216-S1220 PolarHBondContact O-N 3.32Å |
| 1217 | K | 74.9 | Confident | 71.9 | Confident | 124 Ų | 124 | 83 Ų | 83 | 54% | 0.539 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.8 | -31.5 | 177.8 | -165.2 | 158.9 | -173 | 164.8 | 0 | 112.7 | F1213 T1221 | F1213-K1217 PolarHBondContact O-N 3.05Å; K1217-T1221 PolarHBondContact O-N 3.36Å; K1217-T1221 PolarHBondContact O-OG1 2.97Å |
| 1218 | A | 66.7 | Low | 71.4 | Confident | 24 Ų | 24 | 83.5 Ų | 83.5 | 20% | 0.198 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -75.7 | -26.2 | 174 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y1214 I1215 E1216 A1226 | Y1214-A1218 WeakPolarHBondContact O-CB 3.38Å; Y1214-A1218 PolarHBondContact O-N 3.46Å; I1215-A1218 CarbonylContact O-C 3.58Å; I1215-A1218 PolarHBondContact O-N 3.43Å; E1216-A1218 VanDerWaalsContact C-N 3.33Å; E1216-A1218 PolarHBondContact O-N 3.39Å; A1218-A1226 HydrophobicContact CB-CB 3.52Å |
| 1219 | W | 63.5 | Low | 71 | Confident | 183 Ų | 183 | 83.4 Ų | 83.4 | 69% | 0.693 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -85.4 | -30.7 | 176.2 | -156.3 | 77 | 0 | 0 | 0 | 111.5 | I1215 E1216 T1221 | I1215-W1219 VanDerWaalsContact O-CB 3.24Å; I1215-W1219 WeakPolarHBondContact O-CB 3.33Å; I1215-W1219 PolarHBondContact O-N 2.98Å; E1216-W1219 PolarHBondContact O-N 3.42Å; W1219-T1221 VanDerWaalsContact C-N 3.32Å |
| 1220 | S | 62.3 | Low | 70.6 | Confident | 100 Ų | 100 | 87.1 Ų | 87.1 | 70% | 0.699 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -76.7 | -11.3 | 174.9 | -171.7 | 0 | 0 | 0 | 0 | 114.4 | E1216 | E1216-S1220 VanDerWaalsContact O-CB 3.25Å; E1216-S1220 WeakPolarHBondContact O-CB 3.48Å; E1216-S1220 PolarHBondContact O-N 3.32Å |
| 1221 | T | 51.6 | Low | 70.5 | Confident | 62 Ų | 62 | 81.9 Ų | 81.9 | 38% | 0.38 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -113.6 | 147.9 | 178 | 50.4 | 0 | 0 | 0 | 0 | 110.9 | K1217 W1219 Y1223 | K1217-T1221 PolarHBondContact O-N 3.36Å; K1217-T1221 PolarHBondContact O-OG1 2.97Å; W1219-T1221 VanDerWaalsContact C-N 3.32Å; T1221-Y1223 PolarHBondContact O-N 3.31Å |
| 1222 | T | 51 | Low | 70.7 | Confident | 145 Ų | 145 | 82 Ų | 82 | 89% | 0.89 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -68.2 | 19.1 | -175.1 | -28.2 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1223 | Y | 48.8 | Very low | 71.1 | Confident | 163 Ų | 163 | 82.1 Ų | 82.1 | 64% | 0.639 | 38% | 0.377 | S | S | * | . | trans | -118.8 | 85.3 | -154.6 | -97.7 | -64.6 | 0 | 0 | 0 | 111 | T1221 W1225 | T1221-Y1223 PolarHBondContact O-N 3.31Å; Y1223-W1225 PolarHBondContact O-N 3.17Å | ||
| 1224 | R | 51.5 | Low | 71.4 | Confident | 236 Ų | 236 | 80.1 Ų | 80.1 | 89% | 0.891 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 31.1 | -173.4 | -52.1 | 171.1 | 78.3 | 171.9 | 9.6 | 115.7 | ||
| 1225 | W | 53.2 | Low | 72 | Confident | 180 Ų | 180 | 77 Ų | 77 | 68% | 0.682 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -25.2 | -179.7 | 56.7 | -84.4 | 0 | 0 | 0 | 113.9 | Y1214 Y1223 D1227 | Y1214-W1225 HydrophobicContact CE2-CH2 4.41Å; Y1214-W1225 WeakPolarHBondContact OH-CZ3 3.41Å; Y1223-W1225 PolarHBondContact O-N 3.17Å; W1225-D1227 VanDerWaalsContact C-N 3.31Å; W1225-D1227 PolarHBondContact O-N 2.8Å |
| 1226 | A | 60.1 | Low | 72.8 | Confident | 22 Ų | 22 | 76.7 Ų | 76.7 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | trans | -80.6 | 74.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y1214 A1218 S1228 | Y1214-A1226 HydrophobicContact CE1-CB 3.75Å; A1218-A1226 HydrophobicContact CB-CB 3.52Å; A1226-S1228 PolarHBondContact O-N 3.11Å | ||
| 1227 | D | 75.1 | Confident | 73.6 | Confident | 34 Ų | 34 | 78.5 Ų | 78.5 | 18% | 0.182 | 37% | 0.369 | C | S | . | . | trans | -64.6 | 104.9 | 170.4 | -96.3 | 14.1 | 0 | 0 | 0 | 109.7 | W1225 L1229 W1230 M1231 R1359 | W1225-D1227 VanDerWaalsContact C-N 3.31Å; W1225-D1227 PolarHBondContact O-N 2.8Å; D1227-L1229 PolarHBondContact O-N 2.9Å; D1227-W1230 HydrophobicContact CB-CB 4.05Å; D1227-W1230 HydrophobicContact CB-CG 4.23Å; D1227-W1230 WeakPolarHBondContact O-CA 3.47Å; D1227-W1230 WeakPolarHBondContact O-CB 3.31Å; D1227-W1230 PolarHBondContact O-N 3.12Å; D1227-M1231 PolarHBondContact O-N 2.93Å; D1227-M1231 VanDerWaalsContact O-N 3.12Å; D1227-R1359 IonicContact OD1-CZ 3.31Å; D1227-R1359 IonicContact OD1-NE 2.95Å; D1227-R1359 IonicContact OD1-NH2 2.85Å; D1227-R1359 PolarHBondContact OD1-NH2 3.11Å; D1227-R1359 IonicContact OD2-CZ 2.88Å; D1227-R1359 IonicContact OD2-NE 2.74Å; D1227-R1359 PolarHBondContact OD2-NE 2.86Å; D1227-R1359 IonicContact OD2-NH2 3.71Å; D1227-R1359 PolarHBondContact OD2-NH2 3.04Å | ||
| 1228 | S | 81.6 | Confident | 74.6 | Confident | 11 Ų | 11 | 75.6 Ų | 75.6 | 8% | 0.077 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -46.8 | -37.5 | 177.4 | -57.7 | 0 | 0 | 0 | 0 | 113.6 | A1226 M1231 N1232 E1280 | A1226-S1228 PolarHBondContact O-N 3.11Å; S1228-M1231 PolarHBondContact O-N 2.9Å; S1228-N1232 WeakPolarHBondContact O-CB 3.3Å; S1228-N1232 PolarHBondContact O-N 3.42Å; S1228-E1280 WeakPolarHBondContact CB-OE1 3.47Å; S1228-E1280 PolarHBondContact OG-OE1 2.76Å |
| 1229 | L | 83.1 | Confident | 76 | Confident | 3 Ų | 3 | 74.5 Ų | 74.5 | 2% | 0.016 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.3 | -38.4 | 177.3 | -166.8 | 95.1 | 0 | 0 | 0 | 112.8 | D1227 N1232 N1233 L1277 L1358 R1359 | D1227-L1229 PolarHBondContact O-N 2.9Å; L1229-N1232 PolarHBondContact O-N 3Å; L1229-N1233 WeakPolarHBondContact O-CB 3.47Å; L1229-N1233 PolarHBondContact O-N 3.44Å; L1229-N1233 PolarHBondContact O-ND2 3.49Å; L1229-N1233 PolarHBondContact O-OD1 3.47Å; L1229-L1277 HydrophobicContact CB-CD2 4.16Å; L1229-L1277 HydrophobicContact CD1-CD2 4.07Å; L1229-L1358 HydrophobicContact CD1-CB 3.77Å; L1229-L1358 HydrophobicContact CD1-CD1 3.92Å; L1229-L1358 HydrophobicContact CD2-CB 3.81Å; L1229-L1358 HydrophobicContact CG-CB 4.4Å; L1229-R1359 HydrophobicContact CD2-CB 3.62Å; L1229-R1359 HydrophobicContact CD2-CG 4.37Å |
| 1230 | W | 83.8 | Confident | 77.6 | Confident | 144 Ų | 144 | 66.2 Ų | 66.2 | 55% | 0.545 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.9 | -41.2 | 175.9 | -84.2 | 108.2 | 0 | 0 | 0 | 111.1 | D1227 N1232 N1233 I1234 | D1227-W1230 HydrophobicContact CB-CB 4.05Å; D1227-W1230 HydrophobicContact CB-CG 4.23Å; D1227-W1230 WeakPolarHBondContact O-CA 3.47Å; D1227-W1230 WeakPolarHBondContact O-CB 3.31Å; D1227-W1230 PolarHBondContact O-N 3.12Å; W1230-N1232 VanDerWaalsContact C-N 3.33Å; W1230-N1232 PolarHBondContact O-N 3.16Å; W1230-N1233 PolarHBondContact O-N 2.77Å; W1230-I1234 WeakPolarHBondContact O-CB 3.39Å; W1230-I1234 WeakPolarHBondContact O-CD1 3.25Å; W1230-I1234 VanDerWaalsContact O-CG1 3.23Å; W1230-I1234 WeakPolarHBondContact O-CG1 3.45Å; W1230-I1234 PolarHBondContact O-N 2.87Å |
| 1231 | M | 85.8 | Confident | 79.2 | Confident | 37 Ų | 37 | 65.1 Ų | 65.1 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -55.7 | -48.1 | 171.1 | -67.7 | -178.1 | 70 | 0 | 0 | 111.7 | Y1214 I1215 D1227 S1228 I1234 S1235 L1273 | Y1214-M1231 HydrophobicContact CD1-CE 3.4Å; Y1214-M1231 VanDerWaalsContact CD1-CE 3.4Å; Y1214-M1231 HydrophobicContact CD1-SD 3.62Å; Y1214-M1231 HydrophobicContact CE1-CE 3.8Å; Y1214-M1231 HydrophobicContact CE1-CG 4.47Å; Y1214-M1231 HydrophobicContact CE1-SD 3.52Å; Y1214-M1231 VanDerWaalsContact CE1-SD 3.52Å; Y1214-M1231 HydrophobicContact CG-CE 4.34Å; I1215-M1231 HydrophobicContact CG1-CE 4.32Å; I1215-M1231 HydrophobicContact CG1-SD 4.29Å; D1227-M1231 PolarHBondContact O-N 2.93Å; D1227-M1231 VanDerWaalsContact O-N 3.12Å; S1228-M1231 PolarHBondContact O-N 2.9Å; M1231-I1234 PolarHBondContact O-N 2.79Å; M1231-S1235 WeakPolarHBondContact O-CB 3.45Å; M1231-S1235 PolarHBondContact O-N 2.88Å; M1231-S1235 PolarHBondContact O-OG 2.95Å; M1231-L1273 HydrophobicContact CB-CD1 3.71Å |
| 1232 | N | 89 | Confident | 81.3 | Confident | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.9 | -51.3 | 178.3 | 177.8 | 85.5 | 0 | 0 | 0 | 111.8 | S1228 L1229 W1230 S1235 L1236 F1270 L1273 L1277 | S1228-N1232 WeakPolarHBondContact O-CB 3.3Å; S1228-N1232 PolarHBondContact O-N 3.42Å; L1229-N1232 PolarHBondContact O-N 3Å; W1230-N1232 VanDerWaalsContact C-N 3.33Å; W1230-N1232 PolarHBondContact O-N 3.16Å; N1232-S1235 PolarHBondContact O-N 2.92Å; N1232-S1235 PolarHBondContact O-OG 3.32Å; N1232-L1236 PolarHBondContact O-N 2.84Å; N1232-F1270 WeakPolarHBondContact OD1-CD2 3.43Å; N1232-L1273 HydrophobicContact CB-CD1 3.87Å; N1232-L1277 HydrophobicContact CB-CD1 3.77Å |
| 1233 | N | 91 | Very high | 83.5 | Confident | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.032 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.3 | -42.9 | -177.9 | -65.7 | -11.4 | 0 | 0 | 0 | 112 | L1229 W1230 S1235 L1236 L1237 C1352 G1355 C1356 | L1229-N1233 WeakPolarHBondContact O-CB 3.47Å; L1229-N1233 PolarHBondContact O-N 3.44Å; L1229-N1233 PolarHBondContact O-ND2 3.49Å; L1229-N1233 PolarHBondContact O-OD1 3.47Å; W1230-N1233 PolarHBondContact O-N 2.77Å; N1233-S1235 VanDerWaalsContact C-N 3.31Å; N1233-S1235 PolarHBondContact O-N 3.42Å; N1233-L1236 PolarHBondContact O-N 3.37Å; N1233-L1237 PolarHBondContact O-N 3.05Å; N1233-C1352 PolarHBondContact O-SG 3.07Å; N1233-G1355 PolarHBondContact ND2-O 2.93Å; N1233-C1356 PolarHBondContact ND2-N 2.9Å |
| 1234 | I | 91.4 | Very high | 85.7 | Confident | 93 Ų | 93 | 53.3 Ų | 53.3 | 48% | 0.477 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.4 | -43 | 174.5 | -68.5 | 165.7 | 0 | 0 | 0 | 110.4 | W1230 M1231 L1237 L1238 | W1230-I1234 WeakPolarHBondContact O-CB 3.39Å; W1230-I1234 WeakPolarHBondContact O-CD1 3.25Å; W1230-I1234 VanDerWaalsContact O-CG1 3.23Å; W1230-I1234 WeakPolarHBondContact O-CG1 3.45Å; W1230-I1234 PolarHBondContact O-N 2.87Å; M1231-I1234 PolarHBondContact O-N 2.79Å; I1234-L1237 PolarHBondContact O-N 2.86Å; I1234-L1238 HydrophobicContact CG2-CD1 3.87Å; I1234-L1238 HydrophobicContact CG2-CG 4.47Å; I1234-L1238 WeakPolarHBondContact O-CG 3.11Å; I1234-L1238 PolarHBondContact O-N 3.38Å |
| 1235 | S | 93.2 | Very high | 87.8 | Confident | 5 Ų | 5 | 44 Ų | 44 | 4% | 0.035 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.1 | -38.9 | 178.2 | 77.4 | 0 | 0 | 0 | 0 | 113.2 | M1231 N1232 N1233 L1238 T1239 | M1231-S1235 WeakPolarHBondContact O-CB 3.45Å; M1231-S1235 PolarHBondContact O-N 2.88Å; M1231-S1235 PolarHBondContact O-OG 2.95Å; N1232-S1235 PolarHBondContact O-N 2.92Å; N1232-S1235 PolarHBondContact O-OG 3.32Å; N1233-S1235 VanDerWaalsContact C-N 3.31Å; N1233-S1235 PolarHBondContact O-N 3.42Å; S1235-L1238 PolarHBondContact O-N 3.43Å; S1235-T1239 VanDerWaalsContact O-CB 3.31Å; S1235-T1239 WeakPolarHBondContact O-CB 3.38Å; S1235-T1239 PolarHBondContact O-N 3.06Å; S1235-T1239 PolarHBondContact O-OG1 2.82Å |
| 1236 | L | 93.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.9 | -40.7 | 175 | -78.4 | 169 | 0 | 0 | 0 | 111.9 | A1168 N1232 N1233 T1239 S1240 F1270 L1348 C1352 | A1168-L1236 HydrophobicContact CB-CD2 4.11Å; N1232-L1236 PolarHBondContact O-N 2.84Å; N1233-L1236 PolarHBondContact O-N 3.37Å; L1236-T1239 PolarHBondContact O-N 2.98Å; L1236-S1240 PolarHBondContact O-N 2.95Å; L1236-F1270 HydrophobicContact CD1-CD2 3.98Å; L1236-F1270 HydrophobicContact CD1-CE2 4.38Å; L1236-F1270 HydrophobicContact CD2-CB 4.18Å; L1236-F1270 HydrophobicContact CD2-CD1 4.41Å; L1236-F1270 HydrophobicContact CD2-CD2 3.7Å; L1236-F1270 HydrophobicContact CD2-CE2 4.19Å; L1236-F1270 HydrophobicContact CD2-CG 3.83Å; L1236-F1270 HydrophobicContact CG-CB 4.36Å; L1236-F1270 HydrophobicContact CG-CD2 3.95Å; L1236-F1270 HydrophobicContact CG-CG 4.32Å; L1236-L1348 HydrophobicContact CD2-CD2 4.2Å; L1236-C1352 HydrophobicContact CB-CB 4.13Å |
| 1237 | L | 95.2 | Very high | 91.1 | Very high | 72 Ų | 72 | 35 Ų | 35 | 38% | 0.377 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.2 | -45.7 | 175.8 | -173.5 | 136.5 | 0 | 0 | 0 | 111.9 | N1233 I1234 T1239 S1240 V1241 F1349 | N1233-L1237 PolarHBondContact O-N 3.05Å; I1234-L1237 PolarHBondContact O-N 2.86Å; L1237-T1239 VanDerWaalsContact C-N 3.33Å; L1237-T1239 PolarHBondContact O-N 2.99Å; L1237-S1240 PolarHBondContact O-N 2.75Å; L1237-V1241 WeakPolarHBondContact O-CG2 3.37Å; L1237-V1241 PolarHBondContact O-N 3.4Å; L1237-F1349 HydrophobicContact CD1-CE2 4.32Å |
| 1238 | L | 95.6 | Very high | 91.8 | Very high | 62 Ų | 62 | 38.6 Ų | 38.6 | 33% | 0.325 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.7 | -33.4 | 176.1 | -66.4 | 170.6 | 0 | 0 | 0 | 112.5 | I1234 S1235 T1242 F1266 | I1234-L1238 HydrophobicContact CG2-CD1 3.87Å; I1234-L1238 HydrophobicContact CG2-CG 4.47Å; I1234-L1238 WeakPolarHBondContact O-CG 3.11Å; I1234-L1238 PolarHBondContact O-N 3.38Å; S1235-L1238 PolarHBondContact O-N 3.43Å; L1238-T1242 WeakPolarHBondContact O-CG2 3.17Å; L1238-T1242 PolarHBondContact O-N 3.27Å; L1238-T1242 PolarHBondContact O-OG1 2.67Å; L1238-F1266 HydrophobicContact CB-CB 4.08Å; L1238-F1266 HydrophobicContact CB-CD1 3.93Å; L1238-F1266 HydrophobicContact CB-CD2 3.65Å; L1238-F1266 HydrophobicContact CB-CE1 4.29Å; L1238-F1266 HydrophobicContact CB-CE2 4.04Å; L1238-F1266 HydrophobicContact CB-CG 3.61Å; L1238-F1266 HydrophobicContact CB-CZ 4.35Å; L1238-F1266 HydrophobicContact CD1-CD1 3.84Å; L1238-F1266 HydrophobicContact CD1-CE1 3.71Å; L1238-F1266 HydrophobicContact CD1-CG 4.4Å; L1238-F1266 HydrophobicContact CD1-CZ 4.15Å |
| 1239 | T | 95.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.4 | -44.7 | 172 | -54.3 | 0 | 0 | 0 | 0 | 111 | S1235 L1236 L1237 T1242 V1243 F1263 F1266 S1267 L1348 | S1235-T1239 VanDerWaalsContact O-CB 3.31Å; S1235-T1239 WeakPolarHBondContact O-CB 3.38Å; S1235-T1239 PolarHBondContact O-N 3.06Å; S1235-T1239 PolarHBondContact O-OG1 2.82Å; L1236-T1239 PolarHBondContact O-N 2.98Å; L1237-T1239 VanDerWaalsContact C-N 3.33Å; L1237-T1239 PolarHBondContact O-N 2.99Å; T1239-T1242 WeakPolarHBondContact CA-OG1 3.2Å; T1239-T1242 PolarHBondContact O-N 3.33Å; T1239-T1242 PolarHBondContact O-OG1 3.4Å; T1239-V1243 VanDerWaalsContact O-CG2 3.3Å; T1239-V1243 WeakPolarHBondContact O-CG2 3.5Å; T1239-V1243 PolarHBondContact O-N 3.24Å; T1239-F1263 HydrophobicContact CG2-CD2 3.6Å; T1239-F1263 HydrophobicContact CG2-CE2 3.55Å; T1239-F1266 VanDerWaalsContact OG1-C 3.3Å; T1239-F1266 WeakPolarHBondContact OG1-CB 2.8Å; T1239-S1267 PolarHBondContact OG1-N 2.93Å; T1239-L1348 HydrophobicContact CG2-CD1 4Å; T1239-L1348 HydrophobicContact CG2-CD2 4.34Å |
| 1240 | S | 96.6 | Very high | 92.2 | Very high | 10 Ų | 10 | 39.7 Ų | 39.7 | 7% | 0.07 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.3 | -46.3 | 174.3 | 173 | 0 | 0 | 0 | 0 | 112 | L1236 L1237 V1243 F1244 A1345 | L1236-S1240 PolarHBondContact O-N 2.95Å; L1237-S1240 PolarHBondContact O-N 2.75Å; S1240-V1243 PolarHBondContact O-N 2.96Å; S1240-F1244 WeakPolarHBondContact O-CB 3.42Å; S1240-F1244 PolarHBondContact O-N 2.94Å; S1240-A1345 PolarHBondContact OG-O 3.12Å |
| 1241 | V | 96.9 | Very high | 92.1 | Very high | 77 Ų | 77 | 41.4 Ų | 41.4 | 47% | 0.467 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62 | -45.5 | 178.7 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | L1237 V1243 F1244 V1245 | L1237-V1241 WeakPolarHBondContact O-CG2 3.37Å; L1237-V1241 PolarHBondContact O-N 3.4Å; V1241-V1243 PolarHBondContact O-N 2.97Å; V1241-F1244 PolarHBondContact O-N 3.18Å; V1241-V1245 HydrophobicContact CG1-CG2 4.48Å; V1241-V1245 VanDerWaalsContact O-CG2 3.3Å; V1241-V1245 WeakPolarHBondContact O-CG2 3.37Å; V1241-V1245 PolarHBondContact O-N 2.93Å; V1241-V1245 VanDerWaalsContact O-N 3.07Å |
| 1242 | T | 96 | Very high | 92.2 | Very high | 16 Ų | 16 | 47.7 Ų | 47.7 | 10% | 0.098 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.1 | -43.6 | 177.3 | 44.7 | 0 | 0 | 0 | 0 | 111.9 | L1238 T1239 F1244 V1245 L1246 I1259 F1263 F1266 | L1238-T1242 WeakPolarHBondContact O-CG2 3.17Å; L1238-T1242 PolarHBondContact O-N 3.27Å; L1238-T1242 PolarHBondContact O-OG1 2.67Å; T1239-T1242 WeakPolarHBondContact CA-OG1 3.2Å; T1239-T1242 PolarHBondContact O-N 3.33Å; T1239-T1242 PolarHBondContact O-OG1 3.4Å; T1242-F1244 PolarHBondContact O-N 3.43Å; T1242-V1245 PolarHBondContact O-N 3.5Å; T1242-L1246 WeakPolarHBondContact O-CG 3.24Å; T1242-L1246 PolarHBondContact O-N 3.03Å; T1242-L1246 VanDerWaalsContact O-N 3.16Å; T1242-I1259 HydrophobicContact CG2-CG2 4.42Å; T1242-I1259 WeakPolarHBondContact O-CG2 3.47Å; T1242-F1263 WeakPolarHBondContact OG1-CA 3.37Å; T1242-F1266 HydrophobicContact CG2-CD2 3.98Å; T1242-F1266 HydrophobicContact CG2-CE2 4.05Å |
| 1243 | V | 96 | Very high | 92.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.9 | -40.7 | 175.1 | 174.5 | 0 | 0 | 0 | 0 | 112.5 | P1175 T1239 S1240 V1241 V1245 P1247 F1263 F1341 A1345 L1348 | P1175-V1243 HydrophobicContact CG-CG1 4.1Å; P1175-V1243 HydrophobicContact CG-CG2 3.83Å; T1239-V1243 VanDerWaalsContact O-CG2 3.3Å; T1239-V1243 WeakPolarHBondContact O-CG2 3.5Å; T1239-V1243 PolarHBondContact O-N 3.24Å; S1240-V1243 PolarHBondContact O-N 2.96Å; V1241-V1243 PolarHBondContact O-N 2.97Å; V1243-V1245 VanDerWaalsContact C-N 3.32Å; V1243-V1245 PolarHBondContact O-N 3.3Å; V1243-P1247 WeakPolarHBondContact O-CD 3.47Å; V1243-F1263 HydrophobicContact CG2-CD2 3.4Å; V1243-F1263 VanDerWaalsContact CG2-CD2 3.4Å; V1243-F1263 HydrophobicContact CG2-CE2 3.47Å; V1243-F1263 VanDerWaalsContact CG2-CE2 3.47Å; V1243-F1263 HydrophobicContact CG2-CG 4.33Å; V1243-F1263 HydrophobicContact CG2-CZ 4.44Å; V1243-F1341 HydrophobicContact CG1-CD1 4.23Å; V1243-F1341 WeakPolarHBondContact CG1-O 3.37Å; V1243-A1345 HydrophobicContact CB-CB 4.28Å; V1243-A1345 HydrophobicContact CG1-CB 3.99Å; V1243-L1348 HydrophobicContact CB-CD1 4.42Å; V1243-L1348 HydrophobicContact CG2-CD1 3.93Å |
| 1244 | F | 95.4 | Very high | 92.4 | Very high | 105 Ų | 105 | 53.1 Ų | 53.1 | 46% | 0.461 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.8 | -34.6 | 177.6 | -175.9 | -99.3 | 0 | 0 | 0 | 112.7 | S1240 V1241 T1242 P1247 I1248 A1345 | S1240-F1244 WeakPolarHBondContact O-CB 3.42Å; S1240-F1244 PolarHBondContact O-N 2.94Å; V1241-F1244 PolarHBondContact O-N 3.18Å; T1242-F1244 PolarHBondContact O-N 3.43Å; F1244-P1247 WeakPolarHBondContact O-CD 3.47Å; F1244-I1248 HydrophobicContact CD1-CD1 4.25Å; F1244-I1248 HydrophobicContact CE1-CD1 4Å; F1244-A1345 HydrophobicContact CB-CB 3.9Å; F1244-A1345 HydrophobicContact CD2-CB 4.4Å |
| 1245 | V | 95 | Very high | 92.4 | Very high | 40 Ų | 40 | 50.2 Ų | 50.2 | 24% | 0.242 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -80.9 | -26.5 | -177.8 | 178.6 | 0 | 0 | 0 | 0 | 112.8 | V1241 T1242 V1243 I1248 V1249 I1259 | V1241-V1245 HydrophobicContact CG1-CG2 4.48Å; V1241-V1245 VanDerWaalsContact O-CG2 3.3Å; V1241-V1245 WeakPolarHBondContact O-CG2 3.37Å; V1241-V1245 PolarHBondContact O-N 2.93Å; V1241-V1245 VanDerWaalsContact O-N 3.07Å; T1242-V1245 PolarHBondContact O-N 3.5Å; V1243-V1245 VanDerWaalsContact C-N 3.32Å; V1243-V1245 PolarHBondContact O-N 3.3Å; V1245-I1248 WeakPolarHBondContact O-CA 3.25Å; V1245-I1248 VanDerWaalsContact O-CB 3.31Å; V1245-I1248 WeakPolarHBondContact O-CB 3.04Å; V1245-I1248 PolarHBondContact O-N 3.03Å; V1245-V1249 HydrophobicContact CG1-CG1 3.76Å; V1245-V1249 PolarHBondContact O-N 3.25Å; V1245-V1249 VanDerWaalsContact O-N 3.09Å; V1245-I1259 HydrophobicContact CG1-CD1 3.73Å |
| 1246 | L | 92.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -44.1 | -55.2 | 177.1 | -77.1 | 173.3 | 0 | 0 | 0 | 114.8 | L1179 L1182 T1242 I1248 V1249 R1250 L1256 I1259 S1260 F1341 | L1179-L1246 HydrophobicContact CD1-CD1 4.04Å; L1182-L1246 HydrophobicContact CD2-CB 4.49Å; T1242-L1246 WeakPolarHBondContact O-CG 3.24Å; T1242-L1246 PolarHBondContact O-N 3.03Å; T1242-L1246 VanDerWaalsContact O-N 3.16Å; L1246-I1248 PolarHBondContact O-N 2.88Å; L1246-V1249 WeakPolarHBondContact O-CG2 3.37Å; L1246-V1249 PolarHBondContact O-N 3.34Å; L1246-R1250 PolarHBondContact O-N 3.22Å; L1246-L1256 HydrophobicContact CD2-CG 4.08Å; L1246-I1259 HydrophobicContact CD2-CB 4.47Å; L1246-I1259 HydrophobicContact CD2-CG2 3.84Å; L1246-I1259 HydrophobicContact CG-CG2 4.09Å; L1246-S1260 WeakPolarHBondContact CD2-OG 3.29Å; L1246-F1341 HydrophobicContact CB-CD1 4.23Å; L1246-F1341 HydrophobicContact CB-CE1 4.48Å; L1246-F1341 HydrophobicContact CD1-CD1 3.97Å; L1246-F1341 HydrophobicContact CD1-CE1 3.8Å |
| 1247 | P | 90.5 | Very high | 92.5 | Very high | 14 Ų | 14 | 51.1 Ų | 51.1 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68 | -19.3 | 179.7 | 27.6 | -36.9 | 0 | 0 | 0 | 114 | L1182 V1243 F1244 R1250 F1341 | L1182-P1247 HydrophobicContact CD1-CB 4.39Å; V1243-P1247 WeakPolarHBondContact O-CD 3.47Å; F1244-P1247 WeakPolarHBondContact O-CD 3.47Å; P1247-R1250 VanDerWaalsContact O-CD 3.3Å; P1247-R1250 WeakPolarHBondContact O-CD 3.13Å; P1247-R1250 WeakPolarHBondContact O-CG 3.17Å; P1247-F1341 HydrophobicContact CG-CB 3.92Å |
| 1248 | I | 89.4 | Confident | 92.5 | Very high | 109 Ų | 109 | 53.8 Ų | 53.8 | 56% | 0.559 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -76.3 | -43.8 | 176.5 | -50.7 | -179.2 | 0 | 0 | 0 | 109.8 | F1244 V1245 L1246 R1250 | F1244-I1248 HydrophobicContact CD1-CD1 4.25Å; F1244-I1248 HydrophobicContact CE1-CD1 4Å; V1245-I1248 WeakPolarHBondContact O-CA 3.25Å; V1245-I1248 VanDerWaalsContact O-CB 3.31Å; V1245-I1248 WeakPolarHBondContact O-CB 3.04Å; V1245-I1248 PolarHBondContact O-N 3.03Å; L1246-I1248 PolarHBondContact O-N 2.88Å; I1248-R1250 PolarHBondContact O-N 2.57Å |
| 1249 | V | 89.4 | Confident | 92.5 | Very high | 23 Ų | 23 | 52.7 Ų | 52.7 | 14% | 0.139 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -85.5 | -1.3 | -175.7 | -62.4 | 0 | 0 | 0 | 0 | 114.9 | V1245 L1246 R1251 Y1252 A1255 L1256 I1259 | V1245-V1249 HydrophobicContact CG1-CG1 3.76Å; V1245-V1249 PolarHBondContact O-N 3.25Å; V1245-V1249 VanDerWaalsContact O-N 3.09Å; L1246-V1249 WeakPolarHBondContact O-CG2 3.37Å; L1246-V1249 PolarHBondContact O-N 3.34Å; V1249-R1251 PolarHBondContact O-N 3.04Å; V1249-Y1252 PolarHBondContact O-N 3.43Å; V1249-A1255 HydrophobicContact CB-CB 4.22Å; V1249-L1256 HydrophobicContact CG2-CB 4.05Å; V1249-L1256 HydrophobicContact CG2-CG 4.44Å; V1249-I1259 HydrophobicContact CB-CD1 4.19Å; V1249-I1259 HydrophobicContact CG1-CD1 3.69Å; V1249-I1259 HydrophobicContact CG2-CD1 3.7Å |
| 1250 | R | 84.6 | Confident | 92.5 | Very high | 15 Ų | 15 | 52.7 Ų | 52.7 | 6% | 0.057 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -13.1 | -175.2 | 73.6 | -174.5 | -176.6 | 130.3 | 3.4 | 117 | L1182 E1185 M1186 L1246 P1247 I1248 L1256 A1333 H1334 N1335 | L1182-R1250 HydrophobicContact CD1-CB 4.19Å; L1182-R1250 HydrophobicContact CG-CB 4.38Å; E1185-R1250 IonicContact OE2-NH1 3.63Å; M1186-R1250 HydrophobicContact CG-CB 4.32Å; M1186-R1250 HydrophobicContact CG-CG 4.08Å; M1186-R1250 HydrophobicContact SD-CG 4.06Å; L1246-R1250 PolarHBondContact O-N 3.22Å; P1247-R1250 VanDerWaalsContact O-CD 3.3Å; P1247-R1250 WeakPolarHBondContact O-CD 3.13Å; P1247-R1250 WeakPolarHBondContact O-CG 3.17Å; I1248-R1250 PolarHBondContact O-N 2.57Å; R1250-L1256 HydrophobicContact CB-CD1 4.02Å; R1250-A1333 PolarHBondContact NH2-O 3.17Å; R1250-H1334 PolarHBondContact NH1-O 2.9Å; R1250-H1334 PolarHBondContact NH2-O 3.08Å; R1250-N1335 PolarHBondContact NH2-OD1 3.23Å |
| 1251 | R | 81.2 | Confident | 92.4 | Very high | 179 Ų | 179 | 54.3 Ų | 54.3 | 68% | 0.675 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -21 | 170.8 | -69.6 | -175.6 | 172.3 | -171 | -3.1 | 113.9 | M1186 V1249 | M1186-R1251 HydrophobicContact CE-CG 4.04Å; V1249-R1251 PolarHBondContact O-N 3.04Å |
| 1252 | Y | 89 | Confident | 92.4 | Very high | 169 Ų | 169 | 51.4 Ų | 51.4 | 66% | 0.663 | 26% | 0.263 | S | S | * | . | trans | -121.5 | 95.4 | -172.7 | -58.7 | -73.9 | 0 | 0 | 0 | 110.6 | V1249 A1254 A1255 L1256 | V1249-Y1252 PolarHBondContact O-N 3.43Å; Y1252-A1254 VanDerWaalsContact C-N 3.33Å; Y1252-A1254 PolarHBondContact O-N 3.33Å; Y1252-A1255 PolarHBondContact O-N 2.84Å; Y1252-L1256 PolarHBondContact O-N 3.25Å | ||
| 1253 | Y | 90.1 | Very high | 92.3 | Very high | 55 Ų | 55 | 50.6 Ų | 50.6 | 22% | 0.216 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -50.2 | -47.6 | -175.1 | -175.7 | -106.5 | 0 | 0 | 0 | 113.6 | W1188 D1192 F1195 I1196 A1255 L1256 V1257 | W1188-Y1253 HydrophobicContact CD2-CD2 4.21Å; W1188-Y1253 HydrophobicContact CE3-CD2 4.15Å; W1188-Y1253 HydrophobicContact CH2-CD2 4.45Å; W1188-Y1253 HydrophobicContact CH2-CG 4.25Å; W1188-Y1253 HydrophobicContact CZ2-CD2 4.48Å; W1188-Y1253 HydrophobicContact CZ3-CD2 4.26Å; W1188-Y1253 HydrophobicContact CZ3-CG 4.28Å; D1192-Y1253 HydrophobicContact CB-CE2 3.83Å; D1192-Y1253 PolarHBondContact O-OH 2.89Å; F1195-Y1253 WeakPolarHBondContact CD1-OH 3.31Å; I1196-Y1253 HydrophobicContact CD1-CD2 3.98Å; I1196-Y1253 HydrophobicContact CD1-CE2 3.41Å; I1196-Y1253 VanDerWaalsContact CD1-CE2 3.41Å; I1196-Y1253 HydrophobicContact CG1-CE2 3.88Å; Y1253-A1255 PolarHBondContact O-N 3.04Å; Y1253-L1256 PolarHBondContact O-N 3.43Å; Y1253-V1257 HydrophobicContact CD1-CG2 4.17Å; Y1253-V1257 HydrophobicContact CE1-CG2 3.87Å; Y1253-V1257 HydrophobicContact CE2-CG2 4.35Å; Y1253-V1257 WeakPolarHBondContact O-CG2 3.43Å; Y1253-V1257 PolarHBondContact O-N 2.9Å |
| 1254 | A | 92.3 | Very high | 92.3 | Very high | 70 Ų | 70 | 50.6 Ų | 50.6 | 58% | 0.579 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -62.1 | -38.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y1252 L1258 | Y1252-A1254 VanDerWaalsContact C-N 3.33Å; Y1252-A1254 PolarHBondContact O-N 3.33Å; A1254-L1258 WeakPolarHBondContact O-CG 3.3Å; A1254-L1258 PolarHBondContact O-N 3.04Å; A1254-L1258 VanDerWaalsContact O-N 3.13Å |
| 1255 | A | 92.8 | Very high | 92.2 | Very high | 31 Ų | 31 | 48.9 Ų | 48.9 | 26% | 0.256 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.9 | -39 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1249 Y1252 Y1253 L1258 I1259 | V1249-A1255 HydrophobicContact CB-CB 4.22Å; Y1252-A1255 PolarHBondContact O-N 2.84Å; Y1253-A1255 PolarHBondContact O-N 3.04Å; A1255-L1258 PolarHBondContact O-N 2.88Å; A1255-I1259 WeakPolarHBondContact O-CB 3.4Å; A1255-I1259 WeakPolarHBondContact O-CD1 3.49Å; A1255-I1259 WeakPolarHBondContact O-CG1 3.45Å; A1255-I1259 PolarHBondContact O-N 3.16Å |
| 1256 | L | 92.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.6 | -41.4 | 176.5 | -170.3 | 148.8 | 0 | 0 | 0 | 111.5 | L1182 L1183 I1196 L1246 V1249 R1250 Y1252 Y1253 L1258 I1259 S1260 | L1182-L1256 HydrophobicContact CD2-CD1 4.22Å; L1183-L1256 HydrophobicContact CD2-CD1 4.37Å; L1183-L1256 HydrophobicContact CD2-CD2 4.16Å; I1196-L1256 HydrophobicContact CB-CD2 4.47Å; I1196-L1256 HydrophobicContact CD1-CD2 3.48Å; I1196-L1256 VanDerWaalsContact CD1-CD2 3.48Å; I1196-L1256 HydrophobicContact CG1-CD2 4.08Å; I1196-L1256 HydrophobicContact CG2-CD2 3.67Å; L1246-L1256 HydrophobicContact CD2-CG 4.08Å; V1249-L1256 HydrophobicContact CG2-CB 4.05Å; V1249-L1256 HydrophobicContact CG2-CG 4.44Å; R1250-L1256 HydrophobicContact CB-CD1 4.02Å; Y1252-L1256 PolarHBondContact O-N 3.25Å; Y1253-L1256 PolarHBondContact O-N 3.43Å; L1256-L1258 VanDerWaalsContact C-N 3.32Å; L1256-L1258 PolarHBondContact O-N 2.8Å; L1256-I1259 PolarHBondContact O-N 3.26Å; L1256-S1260 VanDerWaalsContact O-CB 3.26Å; L1256-S1260 WeakPolarHBondContact O-CB 3.44Å; L1256-S1260 PolarHBondContact O-N 2.96Å; L1256-S1260 PolarHBondContact O-OG 2.96Å |
| 1257 | V | 95.2 | Very high | 92.2 | Very high | 25 Ų | 25 | 49.7 Ų | 49.7 | 15% | 0.152 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.6 | -45.2 | 171.5 | 168.4 | 0 | 0 | 0 | 0 | 111.8 | F1195 I1196 S1199 Y1253 C1261 | F1195-V1257 HydrophobicContact CD1-CG2 4.13Å; F1195-V1257 HydrophobicContact CE1-CG1 3.99Å; F1195-V1257 HydrophobicContact CE1-CG2 4.08Å; I1196-V1257 HydrophobicContact CG1-CG2 3.73Å; S1199-V1257 PolarHBondContact OG-O 3.05Å; S1199-V1257 VanDerWaalsContact OG-O 3.07Å; Y1253-V1257 HydrophobicContact CD1-CG2 4.17Å; Y1253-V1257 HydrophobicContact CE1-CG2 3.87Å; Y1253-V1257 HydrophobicContact CE2-CG2 4.35Å; Y1253-V1257 WeakPolarHBondContact O-CG2 3.43Å; Y1253-V1257 PolarHBondContact O-N 2.9Å; V1257-C1261 WeakPolarHBondContact O-CB 3.38Å; V1257-C1261 PolarHBondContact O-N 3.36Å |
| 1258 | L | 95.5 | Very high | 92.3 | Very high | 128 Ų | 128 | 49 Ų | 49 | 67% | 0.67 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -65.9 | -45.5 | 178.9 | -74.2 | 168.9 | 0 | 0 | 0 | 112.2 | A1254 A1255 L1256 C1261 G1262 | A1254-L1258 WeakPolarHBondContact O-CG 3.3Å; A1254-L1258 PolarHBondContact O-N 3.04Å; A1254-L1258 VanDerWaalsContact O-N 3.13Å; A1255-L1258 PolarHBondContact O-N 2.88Å; L1256-L1258 VanDerWaalsContact C-N 3.32Å; L1256-L1258 PolarHBondContact O-N 2.8Å; L1258-C1261 WeakPolarHBondContact O-CB 3.45Å; L1258-C1261 PolarHBondContact O-N 3.12Å; L1258-G1262 PolarHBondContact O-N 3.36Å |
| 1259 | I | 95.9 | Very high | 92.3 | Very high | 39 Ų | 39 | 44.8 Ų | 44.8 | 20% | 0.2 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.9 | -33 | -179.6 | -73.3 | 157.3 | 0 | 0 | 0 | 111.5 | T1242 V1245 L1246 V1249 A1255 L1256 G1262 F1263 | T1242-I1259 HydrophobicContact CG2-CG2 4.42Å; T1242-I1259 WeakPolarHBondContact O-CG2 3.47Å; V1245-I1259 HydrophobicContact CG1-CD1 3.73Å; L1246-I1259 HydrophobicContact CD2-CB 4.47Å; L1246-I1259 HydrophobicContact CD2-CG2 3.84Å; L1246-I1259 HydrophobicContact CG-CG2 4.09Å; V1249-I1259 HydrophobicContact CB-CD1 4.19Å; V1249-I1259 HydrophobicContact CG1-CD1 3.69Å; V1249-I1259 HydrophobicContact CG2-CD1 3.7Å; A1255-I1259 WeakPolarHBondContact O-CB 3.4Å; A1255-I1259 WeakPolarHBondContact O-CD1 3.49Å; A1255-I1259 WeakPolarHBondContact O-CG1 3.45Å; A1255-I1259 PolarHBondContact O-N 3.16Å; L1256-I1259 PolarHBondContact O-N 3.26Å; I1259-G1262 PolarHBondContact O-N 3.48Å; I1259-F1263 PolarHBondContact O-N 2.89Å |
| 1260 | S | 95.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.4 | -40.3 | 169.6 | -68.5 | 0 | 0 | 0 | 0 | 112.5 | I1196 I1200 L1246 L1256 G1262 F1263 G1264 | I1196-S1260 VanDerWaalsContact CG2-CB 3.46Å; I1196-S1260 WeakPolarHBondContact CG2-OG 3.41Å; I1200-S1260 WeakPolarHBondContact CG1-O 3.43Å; L1246-S1260 WeakPolarHBondContact CD2-OG 3.29Å; L1256-S1260 VanDerWaalsContact O-CB 3.26Å; L1256-S1260 WeakPolarHBondContact O-CB 3.44Å; L1256-S1260 PolarHBondContact O-N 2.96Å; L1256-S1260 PolarHBondContact O-OG 2.96Å; S1260-G1262 VanDerWaalsContact C-N 3.34Å; S1260-F1263 PolarHBondContact O-N 2.97Å; S1260-G1264 PolarHBondContact O-N 3.09Å |
| 1261 | C | 95.8 | Very high | 92.2 | Very high | 44 Ų | 44 | 44.1 Ų | 44.1 | 30% | 0.297 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.9 | -42.4 | 171.5 | -171.7 | 0 | 0 | 0 | 0 | 111.4 | V1257 L1258 G1264 L1265 | V1257-C1261 WeakPolarHBondContact O-CB 3.38Å; V1257-C1261 PolarHBondContact O-N 3.36Å; L1258-C1261 WeakPolarHBondContact O-CB 3.45Å; L1258-C1261 PolarHBondContact O-N 3.12Å; C1261-G1264 PolarHBondContact O-N 2.92Å; C1261-L1265 WeakPolarHBondContact O-CB 3.35Å; C1261-L1265 PolarHBondContact O-N 3.18Å |
| 1262 | G | 95 | Very high | 92.4 | Very high | 16 Ų | 16 | 35.8 Ų | 35.8 | 17% | 0.165 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.7 | -46.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1258 I1259 S1260 G1264 L1265 F1266 | L1258-G1262 PolarHBondContact O-N 3.36Å; I1259-G1262 PolarHBondContact O-N 3.48Å; S1260-G1262 VanDerWaalsContact C-N 3.34Å; G1262-G1264 VanDerWaalsContact C-N 3.29Å; G1262-G1264 PolarHBondContact O-N 3.11Å; G1262-L1265 PolarHBondContact O-N 3.03Å; G1262-L1265 VanDerWaalsContact O-N 3.15Å; G1262-F1266 WeakPolarHBondContact O-CD2 3.48Å; G1262-F1266 WeakPolarHBondContact O-CG 3.29Å; G1262-F1266 PolarHBondContact O-N 3.01Å |
| 1263 | F | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.1 | -44 | 172.6 | 166.3 | -108.1 | 0 | 0 | 0 | 111.5 | P1175 F1176 I1200 T1239 T1242 V1243 I1259 S1260 S1267 | P1175-F1263 HydrophobicContact CB-CE1 3.95Å; P1175-F1263 HydrophobicContact CB-CZ 3.91Å; P1175-F1263 HydrophobicContact CG-CE1 4.38Å; P1175-F1263 HydrophobicContact CG-CE2 4.14Å; P1175-F1263 HydrophobicContact CG-CZ 3.83Å; F1176-F1263 HydrophobicContact CD2-CE1 4.25Å; F1176-F1263 HydrophobicContact CD2-CZ 4.37Å; F1176-F1263 HydrophobicContact CE1-CE1 4.46Å; F1176-F1263 AromaticContact CE2-CE1 3.71Å; F1176-F1263 HydrophobicContact CE2-CE1 3.71Å; F1176-F1263 AromaticContact CE2-CZ 3.81Å; F1176-F1263 HydrophobicContact CE2-CZ 3.81Å; F1176-F1263 AromaticContact CZ-CE1 3.83Å; F1176-F1263 HydrophobicContact CZ-CE1 3.83Å; F1176-F1263 HydrophobicContact CZ-CZ 4.33Å; I1200-F1263 HydrophobicContact CD1-CD1 4.04Å; I1200-F1263 HydrophobicContact CD1-CE1 4.28Å; I1200-F1263 HydrophobicContact CG1-CD1 4.18Å; I1200-F1263 HydrophobicContact CG2-CD1 3.71Å; I1200-F1263 HydrophobicContact CG2-CE1 3.91Å; T1239-F1263 HydrophobicContact CG2-CD2 3.6Å; T1239-F1263 HydrophobicContact CG2-CE2 3.55Å; T1242-F1263 WeakPolarHBondContact OG1-CA 3.37Å; V1243-F1263 HydrophobicContact CG2-CD2 3.4Å; V1243-F1263 VanDerWaalsContact CG2-CD2 3.4Å; V1243-F1263 HydrophobicContact CG2-CE2 3.47Å; V1243-F1263 VanDerWaalsContact CG2-CE2 3.47Å; V1243-F1263 HydrophobicContact CG2-CG 4.33Å; V1243-F1263 HydrophobicContact CG2-CZ 4.44Å; I1259-F1263 PolarHBondContact O-N 2.89Å; S1260-F1263 PolarHBondContact O-N 2.97Å; F1263-S1267 WeakPolarHBondContact O-CB 3.37Å; F1263-S1267 PolarHBondContact O-N 3.38Å; F1263-S1267 PolarHBondContact O-OG 2.86Å |
| 1264 | G | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.1 | -51.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1200 N1204 S1260 C1261 G1262 S1267 A1268 | I1200-G1264 WeakPolarHBondContact O-CA 3.43Å; N1204-G1264 VanDerWaalsContact CA-O 3.22Å; N1204-G1264 WeakPolarHBondContact CA-O 3.4Å; N1204-G1264 PolarHBondContact ND2-O 3.01Å; S1260-G1264 PolarHBondContact O-N 3.09Å; C1261-G1264 PolarHBondContact O-N 2.92Å; G1262-G1264 VanDerWaalsContact C-N 3.29Å; G1262-G1264 PolarHBondContact O-N 3.11Å; G1264-S1267 PolarHBondContact O-OG 3.28Å; G1264-S1267 VanDerWaalsContact O-OG 3.08Å; G1264-A1268 WeakPolarHBondContact O-CB 3.48Å; G1264-A1268 PolarHBondContact O-N 3.19Å; G1264-A1268 VanDerWaalsContact O-N 3.14Å |
| 1265 | L | 94.7 | Very high | 91.1 | Very high | 68 Ų | 68 | 23.6 Ų | 23.6 | 36% | 0.356 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -64.2 | -40.2 | -176.2 | -172.4 | 150.4 | 0 | 0 | 0 | 113.2 | G1203 C1261 G1262 | G1203-L1265 VanDerWaalsContact O-CA 3.26Å; G1203-L1265 WeakPolarHBondContact O-CA 3.42Å; C1261-L1265 WeakPolarHBondContact O-CB 3.35Å; C1261-L1265 PolarHBondContact O-N 3.18Å; G1262-L1265 PolarHBondContact O-N 3.03Å; G1262-L1265 VanDerWaalsContact O-N 3.15Å |
| 1266 | F | 93.7 | Very high | 90.5 | Very high | 57 Ų | 57 | 23.8 Ų | 23.8 | 25% | 0.25 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -79.5 | -39.9 | 178.4 | -56.9 | -51.2 | 0 | 0 | 0 | 112.7 | L1238 T1239 T1242 G1262 A1268 V1269 | L1238-F1266 HydrophobicContact CB-CB 4.08Å; L1238-F1266 HydrophobicContact CB-CD1 3.93Å; L1238-F1266 HydrophobicContact CB-CD2 3.65Å; L1238-F1266 HydrophobicContact CB-CE1 4.29Å; L1238-F1266 HydrophobicContact CB-CE2 4.04Å; L1238-F1266 HydrophobicContact CB-CG 3.61Å; L1238-F1266 HydrophobicContact CB-CZ 4.35Å; L1238-F1266 HydrophobicContact CD1-CD1 3.84Å; L1238-F1266 HydrophobicContact CD1-CE1 3.71Å; L1238-F1266 HydrophobicContact CD1-CG 4.4Å; L1238-F1266 HydrophobicContact CD1-CZ 4.15Å; T1239-F1266 VanDerWaalsContact OG1-C 3.3Å; T1239-F1266 WeakPolarHBondContact OG1-CB 2.8Å; T1242-F1266 HydrophobicContact CG2-CD2 3.98Å; T1242-F1266 HydrophobicContact CG2-CE2 4.05Å; G1262-F1266 WeakPolarHBondContact O-CD2 3.48Å; G1262-F1266 WeakPolarHBondContact O-CG 3.29Å; G1262-F1266 PolarHBondContact O-N 3.01Å; F1266-A1268 PolarHBondContact O-N 3.44Å; F1266-V1269 PolarHBondContact O-N 3.48Å |
| 1267 | S | 93 | Very high | 90.1 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.007 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.4 | -28.8 | 178.4 | 59 | 0 | 0 | 0 | 0 | 113.1 | N1204 T1239 F1263 G1264 V1269 V1271 | N1204-S1267 PolarHBondContact ND2-OG 3.42Å; N1204-S1267 VanDerWaalsContact ND2-OG 3.11Å; T1239-S1267 PolarHBondContact OG1-N 2.93Å; F1263-S1267 WeakPolarHBondContact O-CB 3.37Å; F1263-S1267 PolarHBondContact O-N 3.38Å; F1263-S1267 PolarHBondContact O-OG 2.86Å; G1264-S1267 PolarHBondContact O-OG 3.28Å; G1264-S1267 VanDerWaalsContact O-OG 3.08Å; S1267-V1269 VanDerWaalsContact C-N 3.31Å; S1267-V1269 PolarHBondContact O-N 3.23Å; S1267-V1271 WeakPolarHBondContact O-CG2 3.29Å; S1267-V1271 PolarHBondContact O-N 3.47Å |
| 1268 | A | 91.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -54.5 | -44.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N1204 R1208 G1264 F1266 V1271 S1272 | N1204-A1268 HydrophobicContact CB-CB 4.48Å; N1204-A1268 WeakPolarHBondContact ND2-CA 3.48Å; N1204-A1268 PolarHBondContact ND2-N 2.93Å; N1204-A1268 WeakPolarHBondContact O-CB 3.37Å; R1208-A1268 HydrophobicContact CG-CB 3.67Å; G1264-A1268 WeakPolarHBondContact O-CB 3.48Å; G1264-A1268 PolarHBondContact O-N 3.19Å; G1264-A1268 VanDerWaalsContact O-N 3.14Å; F1266-A1268 PolarHBondContact O-N 3.44Å; A1268-V1271 PolarHBondContact O-N 2.81Å; A1268-S1272 PolarHBondContact O-N 3.21Å; A1268-S1272 PolarHBondContact O-OG 3.22Å |
| 1269 | V | 89.3 | Confident | 88.6 | Confident | 19 Ų | 19 | 18.8 Ų | 18.8 | 12% | 0.115 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.2 | -43.1 | -174.1 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | A1211 F1266 S1267 S1272 L1273 | A1211-V1269 HydrophobicContact CB-CG1 4.38Å; A1211-V1269 HydrophobicContact CB-CG2 4.22Å; F1266-V1269 PolarHBondContact O-N 3.48Å; S1267-V1269 VanDerWaalsContact C-N 3.31Å; S1267-V1269 PolarHBondContact O-N 3.23Å; V1269-S1272 PolarHBondContact O-OG 2.96Å; V1269-L1273 HydrophobicContact CG1-CD1 3.59Å; V1269-L1273 HydrophobicContact CG1-CG 4.42Å; V1269-L1273 VanDerWaalsContact O-CB 3.28Å; V1269-L1273 WeakPolarHBondContact O-CB 3.35Å; V1269-L1273 WeakPolarHBondContact O-CG 3.5Å; V1269-L1273 PolarHBondContact O-N 3.44Å |
| 1270 | F | 88.4 | Confident | 87.8 | Confident | 4 Ų | 4 | 20.5 Ų | 20.5 | 2% | 0.018 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.9 | -43.6 | 172.6 | 162.8 | -105 | 0 | 0 | 0 | 112.4 | A1168 M1169 L1172 N1232 L1236 K1274 | A1168-F1270 HydrophobicContact CB-CE1 3.89Å; A1168-F1270 HydrophobicContact CB-CE2 3.82Å; A1168-F1270 HydrophobicContact CB-CZ 3.36Å; M1169-F1270 HydrophobicContact SD-CE1 3.99Å; M1169-F1270 HydrophobicContact SD-CZ 4.48Å; L1172-F1270 HydrophobicContact CD1-CD1 3.67Å; L1172-F1270 HydrophobicContact CD1-CE1 3.92Å; N1232-F1270 WeakPolarHBondContact OD1-CD2 3.43Å; L1236-F1270 HydrophobicContact CD1-CD2 3.98Å; L1236-F1270 HydrophobicContact CD1-CE2 4.38Å; L1236-F1270 HydrophobicContact CD2-CB 4.18Å; L1236-F1270 HydrophobicContact CD2-CD1 4.41Å; L1236-F1270 HydrophobicContact CD2-CD2 3.7Å; L1236-F1270 HydrophobicContact CD2-CE2 4.19Å; L1236-F1270 HydrophobicContact CD2-CG 3.83Å; L1236-F1270 HydrophobicContact CG-CB 4.36Å; L1236-F1270 HydrophobicContact CG-CD2 3.95Å; L1236-F1270 HydrophobicContact CG-CG 4.32Å; F1270-K1274 PolarHBondContact O-N 2.88Å |
| 1271 | V | 85.1 | Confident | 87 | Confident | 21 Ų | 21 | 21.6 Ų | 21.6 | 13% | 0.127 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -70.7 | -38.4 | -177.2 | -179.8 | 0 | 0 | 0 | 0 | 111.8 | S1267 A1268 K1274 | S1267-V1271 WeakPolarHBondContact O-CG2 3.29Å; S1267-V1271 PolarHBondContact O-N 3.47Å; A1268-V1271 PolarHBondContact O-N 2.81Å; V1271-K1274 WeakPolarHBondContact O-CB 3.48Å |
| 1272 | S | 84.8 | Confident | 86.2 | Confident | 4 Ų | 4 | 21.4 Ų | 21.4 | 3% | 0.028 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -75.2 | -38.2 | 178.1 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | A1268 V1269 K1274 | A1268-S1272 PolarHBondContact O-N 3.21Å; A1268-S1272 PolarHBondContact O-OG 3.22Å; V1269-S1272 PolarHBondContact O-OG 2.96Å; S1272-K1274 VanDerWaalsContact C-N 3.26Å; S1272-K1274 PolarHBondContact O-N 2.9Å |
| 1273 | L | 83.3 | Confident | 85 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68.9 | -21.6 | 177.9 | -78.3 | 167.7 | 0 | 0 | 0 | 113.8 | I1215 M1231 N1232 V1269 S1275 I1276 L1277 | I1215-L1273 HydrophobicContact CD1-CD2 3.43Å; I1215-L1273 VanDerWaalsContact CD1-CD2 3.43Å; I1215-L1273 HydrophobicContact CD1-CG 4.07Å; I1215-L1273 HydrophobicContact CG1-CD2 4.18Å; M1231-L1273 HydrophobicContact CB-CD1 3.71Å; N1232-L1273 HydrophobicContact CB-CD1 3.87Å; V1269-L1273 HydrophobicContact CG1-CD1 3.59Å; V1269-L1273 HydrophobicContact CG1-CG 4.42Å; V1269-L1273 VanDerWaalsContact O-CB 3.28Å; V1269-L1273 WeakPolarHBondContact O-CB 3.35Å; V1269-L1273 WeakPolarHBondContact O-CG 3.5Å; V1269-L1273 PolarHBondContact O-N 3.44Å; L1273-S1275 PolarHBondContact O-N 3.5Å; L1273-I1276 PolarHBondContact O-N 3.35Å; L1273-I1276 VanDerWaalsContact O-N 3.09Å; L1273-L1277 HydrophobicContact CB-CD1 4.34Å; L1273-L1277 HydrophobicContact CB-CG 4.49Å; L1273-L1277 WeakPolarHBondContact O-CG 3.47Å; L1273-L1277 PolarHBondContact O-N 3.47Å |
| 1274 | K | 83.4 | Confident | 83.8 | Confident | 11 Ų | 11 | 26.6 Ų | 26.6 | 5% | 0.048 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -50.6 | -48.2 | -174.1 | -174 | -178.6 | -65.3 | -173.5 | 0 | 113.9 | F1270 V1271 S1272 V1278 F1291 L1294 Q1298 | F1270-K1274 PolarHBondContact O-N 2.88Å; V1271-K1274 WeakPolarHBondContact O-CB 3.48Å; S1272-K1274 VanDerWaalsContact C-N 3.26Å; S1272-K1274 PolarHBondContact O-N 2.9Å; K1274-V1278 WeakPolarHBondContact O-CG2 3.24Å; K1274-V1278 PolarHBondContact O-N 3.34Å; K1274-F1291 HydrophobicContact CD-CE2 4.37Å; K1274-F1291 HydrophobicContact CG-CE2 4.34Å; K1274-L1294 HydrophobicContact CD-CD2 3.66Å; K1274-L1294 HydrophobicContact CG-CD2 3.71Å; K1274-Q1298 VanDerWaalsContact CE-NE2 3.35Å |
| 1275 | S | 78.4 | Confident | 82.4 | Confident | 27 Ų | 27 | 33.8 Ų | 33.8 | 19% | 0.189 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72.1 | -35.3 | -179.8 | 51.9 | 0 | 0 | 0 | 0 | 112.6 | L1273 V1278 V1279 | L1273-S1275 PolarHBondContact O-N 3.5Å; S1275-V1278 PolarHBondContact O-N 2.66Å; S1275-V1279 PolarHBondContact O-N 2.74Å |
| 1276 | I | 79.2 | Confident | 81.3 | Confident | 35 Ų | 35 | 36.3 Ų | 36.3 | 18% | 0.179 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.8 | -43.2 | 178.9 | -59.3 | 168.7 | 0 | 0 | 0 | 110.1 | P328 I1215 L1273 V1278 V1279 E1280 | P328-I1276 HydrophobicContact CB-CD1 4.31Å; I1215-I1276 HydrophobicContact CD1-CD1 4.04Å; I1215-I1276 HydrophobicContact CG2-CD1 4.19Å; L1273-I1276 PolarHBondContact O-N 3.35Å; L1273-I1276 VanDerWaalsContact O-N 3.09Å; I1276-V1278 VanDerWaalsContact C-N 3.31Å; I1276-V1278 PolarHBondContact O-N 3.37Å; I1276-V1279 WeakPolarHBondContact O-CB 3.49Å; I1276-V1279 PolarHBondContact O-N 3.38Å; I1276-V1279 VanDerWaalsContact O-N 3.11Å; I1276-E1280 PolarHBondContact O-N 2.8Å |
| 1277 | L | 84.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.7 | -32.2 | 175.4 | -71.8 | 176.5 | 0 | 0 | 0 | 113.4 | F1161 L1229 N1232 L1273 L1281 | F1161-L1277 HydrophobicContact CE1-CB 4.32Å; F1161-L1277 HydrophobicContact CE2-CB 4.07Å; F1161-L1277 HydrophobicContact CE2-CD1 3.95Å; F1161-L1277 HydrophobicContact CZ-CB 3.62Å; F1161-L1277 HydrophobicContact CZ-CD1 4.24Å; L1229-L1277 HydrophobicContact CB-CD2 4.16Å; L1229-L1277 HydrophobicContact CD1-CD2 4.07Å; N1232-L1277 HydrophobicContact CB-CD1 3.77Å; L1273-L1277 HydrophobicContact CB-CD1 4.34Å; L1273-L1277 HydrophobicContact CB-CG 4.49Å; L1273-L1277 WeakPolarHBondContact O-CG 3.47Å; L1273-L1277 PolarHBondContact O-N 3.47Å; L1277-L1281 VanDerWaalsContact O-CB 3.28Å; L1277-L1281 WeakPolarHBondContact O-CB 3.45Å; L1277-L1281 VanDerWaalsContact O-CG 3.25Å; L1277-L1281 WeakPolarHBondContact O-CG 3.3Å; L1277-L1281 PolarHBondContact O-N 2.86Å |
| 1278 | V | 82.7 | Confident | 79.2 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.8 | -44.5 | 171.4 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | F1161 K1274 S1275 I1276 I1282 L1287 A1290 F1291 L1294 | F1161-V1278 HydrophobicContact CE1-CG2 3.8Å; K1274-V1278 WeakPolarHBondContact O-CG2 3.24Å; K1274-V1278 PolarHBondContact O-N 3.34Å; S1275-V1278 PolarHBondContact O-N 2.66Å; I1276-V1278 VanDerWaalsContact C-N 3.31Å; I1276-V1278 PolarHBondContact O-N 3.37Å; V1278-I1282 HydrophobicContact CG1-CD1 4.25Å; V1278-I1282 WeakPolarHBondContact O-CB 3.46Å; V1278-I1282 PolarHBondContact O-N 3.47Å; V1278-L1287 HydrophobicContact CB-CD1 3.87Å; V1278-L1287 HydrophobicContact CG1-CD1 3.51Å; V1278-A1290 HydrophobicContact CG1-CB 3.56Å; V1278-F1291 HydrophobicContact CG2-CD2 4.35Å; V1278-L1294 HydrophobicContact CG2-CD1 4.3Å |
| 1279 | V | 75.8 | Confident | 78.4 | Confident | 48 Ų | 48 | 39.4 Ų | 39.4 | 29% | 0.291 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.2 | -47.5 | 176.4 | -178.9 | 0 | 0 | 0 | 0 | 111.1 | S1275 I1276 L1281 G1283 L1287 | S1275-V1279 PolarHBondContact O-N 2.74Å; I1276-V1279 WeakPolarHBondContact O-CB 3.49Å; I1276-V1279 PolarHBondContact O-N 3.38Å; I1276-V1279 VanDerWaalsContact O-N 3.11Å; V1279-L1281 PolarHBondContact O-N 2.79Å; V1279-G1283 WeakPolarHBondContact O-CA 3.34Å; V1279-G1283 PolarHBondContact O-N 2.98Å; V1279-L1287 HydrophobicContact CG2-CD1 3.66Å; V1279-L1287 HydrophobicContact CG2-CD2 3.82Å; V1279-L1287 HydrophobicContact CG2-CG 4.24Å |
| 1280 | E | 79.3 | Confident | 78 | Confident | 76 Ų | 76 | 38.5 Ų | 38.5 | 36% | 0.355 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.6 | -37.5 | -179.8 | -80.5 | -172.1 | -144.2 | 0 | 0 | 114.1 | S1228 I1276 R1359 | S1228-E1280 WeakPolarHBondContact CB-OE1 3.47Å; S1228-E1280 PolarHBondContact OG-OE1 2.76Å; I1276-E1280 PolarHBondContact O-N 2.8Å; E1280-R1359 IonicContact OE2-NH1 2.67Å; E1280-R1359 PolarHBondContact OE2-NH1 2.97Å |
| 1281 | L | 78.5 | Confident | 77.6 | Confident | 23 Ų | 23 | 39.7 Ų | 39.7 | 12% | 0.12 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -88.8 | -20.8 | -172.9 | -67.9 | 172.8 | 0 | 0 | 0 | 113.9 | T1157 F1161 L1277 V1279 | T1157-L1281 HydrophobicContact CG2-CD2 4.19Å; F1161-L1281 HydrophobicContact CB-CD1 4.18Å; F1161-L1281 HydrophobicContact CD1-CD1 3.89Å; F1161-L1281 HydrophobicContact CD2-CD1 4.17Å; F1161-L1281 HydrophobicContact CE1-CD1 4.29Å; F1161-L1281 HydrophobicContact CG-CD1 3.83Å; L1277-L1281 VanDerWaalsContact O-CB 3.28Å; L1277-L1281 WeakPolarHBondContact O-CB 3.45Å; L1277-L1281 VanDerWaalsContact O-CG 3.25Å; L1277-L1281 WeakPolarHBondContact O-CG 3.3Å; L1277-L1281 PolarHBondContact O-N 2.86Å; V1279-L1281 PolarHBondContact O-N 2.79Å |
| 1282 | I | 78.4 | Confident | 77.5 | Confident | 39 Ų | 39 | 38.8 Ų | 38.8 | 20% | 0.2 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -130.4 | -24.3 | -167.4 | -52.8 | 176.9 | 0 | 0 | 0 | 112.9 | L1152 F1158 V1278 R1286 A1290 | L1152-I1282 HydrophobicContact CD1-CG2 4Å; F1158-I1282 HydrophobicContact CD2-CD1 3.43Å; F1158-I1282 VanDerWaalsContact CD2-CD1 3.43Å; F1158-I1282 HydrophobicContact CE2-CD1 3.78Å; F1158-I1282 HydrophobicContact CG-CD1 4.08Å; V1278-I1282 HydrophobicContact CG1-CD1 4.25Å; V1278-I1282 WeakPolarHBondContact O-CB 3.46Å; V1278-I1282 PolarHBondContact O-N 3.47Å; I1282-R1286 HydrophobicContact CG2-CB 4.1Å; I1282-A1290 HydrophobicContact CD1-CB 3.55Å |
| 1283 | G | 70.1 | Confident | 77.5 | Confident | 27 Ų | 27 | 39.4 Ų | 39.4 | 28% | 0.278 | 21% | 0.207 | S | C | . | . | trans | 92.1 | 163.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1279 | V1279-G1283 WeakPolarHBondContact O-CA 3.34Å; V1279-G1283 PolarHBondContact O-N 2.98Å | ||
| 1284 | I | 70.6 | Confident | 77.8 | Confident | 98 Ų | 98 | 39.5 Ų | 39.5 | 50% | 0.503 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -74.5 | -34.1 | -172.1 | -163.2 | 166.1 | 0 | 0 | 0 | 112.8 | R1286 L1287 | I1284-R1286 PolarHBondContact O-N 3.48Å; I1284-L1287 WeakPolarHBondContact O-CB 3.5Å; I1284-L1287 PolarHBondContact O-N 3.37Å |
| 1285 | D | 65.6 | Low | 78.1 | Confident | 151 Ų | 151 | 39 Ų | 39 | 81% | 0.807 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -59.9 | -20.2 | -174.1 | -29.4 | -35 | 0 | 0 | 0 | 114.1 | ||
| 1286 | R | 70.5 | Confident | 78.7 | Confident | 121 Ų | 121 | 39.6 Ų | 39.6 | 46% | 0.457 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -121.1 | 9.6 | 179.6 | -56.4 | -171 | -175.8 | -161.3 | 0.2 | 113.2 | L1152 I1282 I1284 T1288 N1289 A1290 | L1152-R1286 HydrophobicContact CD1-CB 4.29Å; I1282-R1286 HydrophobicContact CG2-CB 4.1Å; I1284-R1286 PolarHBondContact O-N 3.48Å; R1286-T1288 VanDerWaalsContact C-N 3.32Å; R1286-T1288 PolarHBondContact O-N 3.11Å; R1286-N1289 PolarHBondContact O-N 2.9Å; R1286-A1290 VanDerWaalsContact O-CB 3.27Å; R1286-A1290 WeakPolarHBondContact O-CB 3.42Å; R1286-A1290 PolarHBondContact O-N 3.36Å |
| 1287 | L | 71.8 | Confident | 79.3 | Confident | 24 Ų | 24 | 41.1 Ų | 41.1 | 13% | 0.126 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -50.1 | -50.7 | -177.7 | 172.2 | 58.9 | 0 | 0 | 0 | 111.7 | V1278 V1279 I1284 A1290 F1291 | V1278-L1287 HydrophobicContact CB-CD1 3.87Å; V1278-L1287 HydrophobicContact CG1-CD1 3.51Å; V1279-L1287 HydrophobicContact CG2-CD1 3.66Å; V1279-L1287 HydrophobicContact CG2-CD2 3.82Å; V1279-L1287 HydrophobicContact CG2-CG 4.24Å; I1284-L1287 WeakPolarHBondContact O-CB 3.5Å; I1284-L1287 PolarHBondContact O-N 3.37Å; L1287-A1290 PolarHBondContact O-N 2.95Å; L1287-F1291 WeakPolarHBondContact O-CB 3.28Å; L1287-F1291 PolarHBondContact O-N 3.35Å |
| 1288 | T | 71.8 | Confident | 79.7 | Confident | 58 Ų | 58 | 41.1 Ų | 41.1 | 36% | 0.356 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.4 | -40.3 | -173.8 | -30.2 | 0 | 0 | 0 | 0 | 112.2 | S261 R1286 G1292 | S261-T1288 VanDerWaalsContact OG-CG2 3.28Å; S261-T1288 WeakPolarHBondContact OG-CG2 3.47Å; R1286-T1288 VanDerWaalsContact C-N 3.32Å; R1286-T1288 PolarHBondContact O-N 3.11Å; T1288-G1292 PolarHBondContact O-N 2.81Å |
| 1289 | N | 74 | Confident | 80.2 | Confident | 42 Ų | 42 | 41.2 Ų | 41.2 | 23% | 0.225 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69 | -45.8 | 178.1 | -54.1 | 23.5 | 0 | 0 | 0 | 110.2 | D1146 L1147 R1286 G1292 Y1293 | D1146-N1289 PolarHBondContact O-ND2 3.38Å; L1147-N1289 HydrophobicContact CD2-CB 4.5Å; L1147-N1289 WeakPolarHBondContact CD2-OD1 3.27Å; R1286-N1289 PolarHBondContact O-N 2.9Å; N1289-G1292 PolarHBondContact O-N 3.41Å; N1289-Y1293 WeakPolarHBondContact O-CD2 3.41Å; N1289-Y1293 PolarHBondContact O-N 2.96Å |
| 1290 | A | 81.5 | Confident | 81.1 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.6 | -44.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1152 F1158 V1278 I1282 R1286 L1287 Y1293 L1294 | L1152-A1290 HydrophobicContact CD2-CB 3.71Å; F1158-A1290 HydrophobicContact CE2-CB 4.24Å; F1158-A1290 HydrophobicContact CZ-CB 4.32Å; V1278-A1290 HydrophobicContact CG1-CB 3.56Å; I1282-A1290 HydrophobicContact CD1-CB 3.55Å; R1286-A1290 VanDerWaalsContact O-CB 3.27Å; R1286-A1290 WeakPolarHBondContact O-CB 3.42Å; R1286-A1290 PolarHBondContact O-N 3.36Å; L1287-A1290 PolarHBondContact O-N 2.95Å; A1290-Y1293 PolarHBondContact O-N 2.86Å; A1290-L1294 VanDerWaalsContact O-CB 3.25Å; A1290-L1294 WeakPolarHBondContact O-CB 3.46Å; A1290-L1294 PolarHBondContact O-N 3.35Å |
| 1291 | F | 81 | Confident | 81.8 | Confident | 29 Ų | 29 | 41.5 Ų | 41.5 | 13% | 0.127 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.8 | -41.2 | 175.8 | -167.8 | -109.3 | 0 | 0 | 0 | 110.8 | K1274 V1278 L1287 L1294 L1295 | K1274-F1291 HydrophobicContact CD-CE2 4.37Å; K1274-F1291 HydrophobicContact CG-CE2 4.34Å; V1278-F1291 HydrophobicContact CG2-CD2 4.35Å; L1287-F1291 WeakPolarHBondContact O-CB 3.28Å; L1287-F1291 PolarHBondContact O-N 3.35Å; F1291-L1294 PolarHBondContact O-N 3.04Å; F1291-L1295 HydrophobicContact CD1-CD1 3.74Å; F1291-L1295 HydrophobicContact CD1-CG 4.17Å; F1291-L1295 HydrophobicContact CE1-CD1 3.61Å; F1291-L1295 HydrophobicContact CE1-CD2 4.3Å; F1291-L1295 HydrophobicContact CE1-CG 4.08Å; F1291-L1295 HydrophobicContact CZ-CD1 4.36Å; F1291-L1295 HydrophobicContact CZ-CD2 4.23Å; F1291-L1295 HydrophobicContact CZ-CG 4.4Å; F1291-L1295 WeakPolarHBondContact O-CB 3.41Å; F1291-L1295 VanDerWaalsContact O-CG 3.27Å; F1291-L1295 WeakPolarHBondContact O-CG 3.31Å; F1291-L1295 PolarHBondContact O-N 3.3Å |
| 1292 | G | 82.4 | Confident | 82.6 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.2 | -51.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P258 T1288 N1289 L1294 L1295 L1296 | P258-G1292 WeakPolarHBondContact CD-O 3.46Å; P258-G1292 WeakPolarHBondContact CG-O 3.24Å; T1288-G1292 PolarHBondContact O-N 2.81Å; N1289-G1292 PolarHBondContact O-N 3.41Å; G1292-L1294 VanDerWaalsContact C-N 3.34Å; G1292-L1294 PolarHBondContact O-N 2.89Å; G1292-L1295 PolarHBondContact O-N 3.13Å; G1292-L1296 PolarHBondContact O-N 3.13Å |
| 1293 | Y | 85.2 | Confident | 83.4 | Confident | 17 Ų | 17 | 39.7 Ų | 39.7 | 7% | 0.067 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.1 | -45.1 | 174 | -87.9 | -62.6 | 0 | 0 | 0 | 112.3 | L1148 L1152 L1153 N1289 A1290 L1295 L1296 F1297 | L1148-Y1293 WeakPolarHBondContact CA-OH 3.25Å; L1148-Y1293 PolarHBondContact O-OH 3.22Å; L1148-Y1293 VanDerWaalsContact O-OH 3.05Å; L1152-Y1293 HydrophobicContact CB-CE2 4.45Å; L1152-Y1293 HydrophobicContact CD2-CD2 3.9Å; L1152-Y1293 HydrophobicContact CD2-CE2 4.37Å; L1153-Y1293 HydrophobicContact CD1-CD1 4.37Å; L1153-Y1293 HydrophobicContact CD1-CE1 3.72Å; L1153-Y1293 HydrophobicContact CD2-CD1 4.26Å; L1153-Y1293 HydrophobicContact CD2-CE1 4.38Å; L1153-Y1293 HydrophobicContact CG-CD1 4.48Å; L1153-Y1293 HydrophobicContact CG-CE1 4.13Å; N1289-Y1293 WeakPolarHBondContact O-CD2 3.41Å; N1289-Y1293 PolarHBondContact O-N 2.96Å; A1290-Y1293 PolarHBondContact O-N 2.86Å; Y1293-L1295 VanDerWaalsContact C-N 3.34Å; Y1293-L1295 PolarHBondContact O-N 2.94Å; Y1293-L1296 WeakPolarHBondContact O-CB 3.49Å; Y1293-L1296 PolarHBondContact O-N 2.99Å; Y1293-L1296 VanDerWaalsContact O-N 3.12Å; Y1293-F1297 HydrophobicContact CD1-CE2 4.29Å; Y1293-F1297 WeakPolarHBondContact O-CD2 3.49Å; Y1293-F1297 PolarHBondContact O-N 3.19Å |
| 1294 | L | 88.6 | Confident | 84.6 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65 | -37.6 | -178.3 | -172.7 | 138.4 | 0 | 0 | 0 | 111.9 | F1158 F1161 K1274 V1278 A1290 F1291 G1292 Q1298 | F1158-L1294 HydrophobicContact CE2-CD1 4.47Å; F1161-L1294 HydrophobicContact CD1-CD1 3.6Å; F1161-L1294 HydrophobicContact CE1-CD1 3.3Å; F1161-L1294 HydrophobicContact CG-CD1 4.44Å; F1161-L1294 HydrophobicContact CZ-CD1 3.91Å; K1274-L1294 HydrophobicContact CD-CD2 3.66Å; K1274-L1294 HydrophobicContact CG-CD2 3.71Å; V1278-L1294 HydrophobicContact CG2-CD1 4.3Å; A1290-L1294 VanDerWaalsContact O-CB 3.25Å; A1290-L1294 WeakPolarHBondContact O-CB 3.46Å; A1290-L1294 PolarHBondContact O-N 3.35Å; F1291-L1294 PolarHBondContact O-N 3.04Å; G1292-L1294 VanDerWaalsContact C-N 3.34Å; G1292-L1294 PolarHBondContact O-N 2.89Å; L1294-Q1298 WeakPolarHBondContact O-CB 3.27Å; L1294-Q1298 WeakPolarHBondContact O-CG 3.44Å; L1294-Q1298 PolarHBondContact O-N 3.42Å |
| 1295 | L | 89.8 | Confident | 85.8 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.1 | -39.7 | 170 | -69 | 176 | 0 | 0 | 0 | 112.2 | L254 Y312 L313 F1291 G1292 Y1293 Q1298 G1299 | L254-L1295 CarbonylContact C-O 3.55Å; L254-L1295 HydrophobicContact CD2-CD2 3.68Å; L254-L1295 CarbonylContact O-C 3.24Å; L254-L1295 WeakPolarHBondContact O-CB 3.47Å; Y312-L1295 HydrophobicContact CE1-CD2 4.39Å; L313-L1295 HydrophobicContact CD1-CD1 3.95Å; F1291-L1295 HydrophobicContact CD1-CD1 3.74Å; F1291-L1295 HydrophobicContact CD1-CG 4.17Å; F1291-L1295 HydrophobicContact CE1-CD1 3.61Å; F1291-L1295 HydrophobicContact CE1-CD2 4.3Å; F1291-L1295 HydrophobicContact CE1-CG 4.08Å; F1291-L1295 HydrophobicContact CZ-CD1 4.36Å; F1291-L1295 HydrophobicContact CZ-CD2 4.23Å; F1291-L1295 HydrophobicContact CZ-CG 4.4Å; F1291-L1295 WeakPolarHBondContact O-CB 3.41Å; F1291-L1295 VanDerWaalsContact O-CG 3.27Å; F1291-L1295 WeakPolarHBondContact O-CG 3.31Å; F1291-L1295 PolarHBondContact O-N 3.3Å; G1292-L1295 PolarHBondContact O-N 3.13Å; Y1293-L1295 VanDerWaalsContact C-N 3.34Å; Y1293-L1295 PolarHBondContact O-N 2.94Å; L1295-Q1298 PolarHBondContact O-N 3.49Å; L1295-G1299 PolarHBondContact O-N 3.33Å |
| 1296 | L | 91.4 | Very high | 87.2 | Confident | 39 Ų | 39 | 29.1 Ų | 29.1 | 20% | 0.204 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.6 | -53.8 | -179.7 | -179.6 | 145.2 | 0 | 0 | 0 | 112.3 | F255 P258 G1292 Y1293 G1299 F1300 | F255-L1296 HydrophobicContact CD2-CG 4.06Å; F255-L1296 WeakPolarHBondContact CD2-O 3.35Å; F255-L1296 HydrophobicContact CE2-CD1 4.46Å; F255-L1296 HydrophobicContact CE2-CD2 4.28Å; F255-L1296 HydrophobicContact CE2-CG 3.98Å; P258-L1296 HydrophobicContact CG-CB 4Å; P258-L1296 HydrophobicContact CG-CD1 3.84Å; G1292-L1296 PolarHBondContact O-N 3.13Å; Y1293-L1296 WeakPolarHBondContact O-CB 3.49Å; Y1293-L1296 PolarHBondContact O-N 2.99Å; Y1293-L1296 VanDerWaalsContact O-N 3.12Å; L1296-G1299 PolarHBondContact O-N 3.34Å; L1296-F1300 PolarHBondContact O-N 3.44Å |
| 1297 | F | 91.4 | Very high | 88.4 | Confident | 67 Ų | 67 | 24.6 Ų | 24.6 | 29% | 0.294 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -71.1 | -32.1 | -179.8 | -71.4 | -86.2 | 0 | 0 | 0 | 112.3 | L1153 L1162 M1166 Y1293 F1300 A1301 | L1153-F1297 HydrophobicContact CD2-CE2 4.31Å; L1162-F1297 HydrophobicContact CD1-CD2 3.74Å; L1162-F1297 HydrophobicContact CD1-CE2 4.2Å; L1162-F1297 HydrophobicContact CD1-CG 4.46Å; L1162-F1297 HydrophobicContact CD2-CB 4.06Å; L1162-F1297 HydrophobicContact CD2-CD1 4.29Å; L1162-F1297 HydrophobicContact CD2-CD2 3.81Å; L1162-F1297 HydrophobicContact CD2-CE2 4.29Å; L1162-F1297 HydrophobicContact CD2-CG 3.8Å; L1162-F1297 HydrophobicContact CG-CB 4.33Å; L1162-F1297 HydrophobicContact CG-CD2 4.13Å; L1162-F1297 HydrophobicContact CG-CG 4.36Å; M1166-F1297 HydrophobicContact SD-CB 4.49Å; Y1293-F1297 HydrophobicContact CD1-CE2 4.29Å; Y1293-F1297 WeakPolarHBondContact O-CD2 3.49Å; Y1293-F1297 PolarHBondContact O-N 3.19Å; F1297-F1300 PolarHBondContact O-N 3.02Å; F1297-A1301 PolarHBondContact O-N 3.1Å |
| 1298 | Q | 93.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64 | -38.1 | 170.9 | -81.1 | -178 | -7.4 | 0 | 0 | 112.9 | S1165 M1169 K1274 L1294 L1295 A1301 A1302 | S1165-Q1298 PolarHBondContact OG-NE2 2.87Å; M1169-Q1298 HydrophobicContact CB-CB 4.21Å; M1169-Q1298 HydrophobicContact CB-CG 4.22Å; M1169-Q1298 HydrophobicContact CG-CB 3.78Å; M1169-Q1298 HydrophobicContact CG-CG 3.52Å; K1274-Q1298 VanDerWaalsContact CE-NE2 3.35Å; L1294-Q1298 WeakPolarHBondContact O-CB 3.27Å; L1294-Q1298 WeakPolarHBondContact O-CG 3.44Å; L1294-Q1298 PolarHBondContact O-N 3.42Å; L1295-Q1298 PolarHBondContact O-N 3.49Å; Q1298-A1301 PolarHBondContact O-N 2.93Å; Q1298-A1302 WeakPolarHBondContact O-CB 3.25Å; Q1298-A1302 PolarHBondContact O-N 3.27Å |
| 1299 | G | 93.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.2 | -42 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G251 L1295 L1296 A1301 A1302 A1303 | G251-G1299 CarbonylContact C-O 3.47Å; G251-G1299 WeakPolarHBondContact CA-O 3.33Å; G251-G1299 CarbonylContact O-C 3.51Å; G251-G1299 WeakPolarHBondContact O-CA 3.32Å; L1295-G1299 PolarHBondContact O-N 3.33Å; L1296-G1299 PolarHBondContact O-N 3.34Å; G1299-A1301 PolarHBondContact O-N 3.24Å; G1299-A1302 PolarHBondContact O-N 2.52Å; G1299-A1303 WeakPolarHBondContact O-CB 3.43Å; G1299-A1303 PolarHBondContact O-N 3.04Å |
| 1300 | F | 94.2 | Very high | 91.4 | Very high | 126 Ų | 126 | 21.1 Ų | 21.1 | 55% | 0.553 | 11% | 0.111 | S | C | * | . | H | α-helix | trans | -58.8 | -45.9 | 172.1 | -177.2 | -100.3 | 0 | 0 | 0 | 112 | F255 L1296 F1297 A1303 V1304 | F255-F1300 HydrophobicContact CD2-CB 4.47Å; L1296-F1300 PolarHBondContact O-N 3.44Å; F1297-F1300 PolarHBondContact O-N 3.02Å; F1300-A1303 PolarHBondContact O-N 3.44Å; F1300-V1304 HydrophobicContact CE1-CG2 4.28Å; F1300-V1304 HydrophobicContact CE2-CG2 4.41Å; F1300-V1304 HydrophobicContact CZ-CG2 4.14Å; F1300-V1304 WeakPolarHBondContact O-CG2 3.42Å; F1300-V1304 PolarHBondContact O-N 3.02Å |
| 1301 | A | 95.1 | Very high | 91.9 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 3% | 0.033 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.3 | -41.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M1166 M1169 L1170 F1297 Q1298 G1299 A1303 V1304 G1305 | M1166-A1301 HydrophobicContact CG-CB 3.69Å; M1166-A1301 WeakPolarHBondContact O-CB 3.44Å; M1169-A1301 HydrophobicContact CB-CB 4.46Å; L1170-A1301 HydrophobicContact CB-CB 4.16Å; F1297-A1301 PolarHBondContact O-N 3.1Å; Q1298-A1301 PolarHBondContact O-N 2.93Å; G1299-A1301 PolarHBondContact O-N 3.24Å; A1301-A1303 VanDerWaalsContact C-N 3.33Å; A1301-A1303 PolarHBondContact O-N 2.91Å; A1301-V1304 PolarHBondContact O-N 2.91Å; A1301-G1305 PolarHBondContact O-N 3.44Å |
| 1302 | A | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.2 | -29.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | V250 L254 V1173 Q1298 G1299 P1306 | V250-A1302 HydrophobicContact CG1-CB 3.96Å; L254-A1302 HydrophobicContact CD1-CB 4.18Å; V1173-A1302 HydrophobicContact CG2-CB 4.01Å; Q1298-A1302 WeakPolarHBondContact O-CB 3.25Å; Q1298-A1302 PolarHBondContact O-N 3.27Å; G1299-A1302 PolarHBondContact O-N 2.52Å; A1302-P1306 WeakPolarHBondContact O-CD 3.28Å |
| 1303 | A | 95.4 | Very high | 92.7 | Very high | 24 Ų | 24 | 27.9 Ų | 27.9 | 20% | 0.198 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.9 | -41 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G247 G1299 F1300 A1301 P1307 | G247-A1303 WeakPolarHBondContact O-CA 3.16Å; G1299-A1303 WeakPolarHBondContact O-CB 3.43Å; G1299-A1303 PolarHBondContact O-N 3.04Å; F1300-A1303 PolarHBondContact O-N 3.44Å; A1301-A1303 VanDerWaalsContact C-N 3.33Å; A1301-A1303 PolarHBondContact O-N 2.91Å; A1303-P1307 WeakPolarHBondContact O-CD 3.27Å; A1303-P1307 WeakPolarHBondContact O-CG 3.19Å |
| 1304 | V | 95.7 | Very high | 92.8 | Very high | 54 Ų | 54 | 28 Ų | 28 | 33% | 0.327 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -83.6 | -31.9 | -174.2 | 174 | 0 | 0 | 0 | 0 | 113 | L1170 F1300 A1301 P1307 V1308 | L1170-V1304 HydrophobicContact CD1-CB 4.44Å; L1170-V1304 HydrophobicContact CD1-CG1 4.34Å; F1300-V1304 HydrophobicContact CE1-CG2 4.28Å; F1300-V1304 HydrophobicContact CE2-CG2 4.41Å; F1300-V1304 HydrophobicContact CZ-CG2 4.14Å; F1300-V1304 WeakPolarHBondContact O-CG2 3.42Å; F1300-V1304 PolarHBondContact O-N 3.02Å; A1301-V1304 PolarHBondContact O-N 2.91Å; V1304-P1307 WeakPolarHBondContact O-CD 3.2Å; V1304-V1308 HydrophobicContact CG1-CG2 3.7Å; V1304-V1308 WeakPolarHBondContact O-CB 3.49Å; V1304-V1308 WeakPolarHBondContact O-CG2 3.3Å; V1304-V1308 PolarHBondContact O-N 2.91Å; V1304-V1308 VanDerWaalsContact O-N 3.12Å |
| 1305 | G | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.6 | -58.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1301 V1308 A1309 | A1301-G1305 PolarHBondContact O-N 3.44Å; G1305-V1308 PolarHBondContact O-N 3.3Å; G1305-A1309 WeakPolarHBondContact O-CB 3.28Å; G1305-A1309 PolarHBondContact O-N 3.36Å |
| 1306 | P | 95.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.5 | -41 | -178.1 | -23.4 | 36 | 0 | 0 | 0 | 114.9 | L243 V1173 L1177 A1302 V1308 A1309 G1310 | L243-P1306 HydrophobicContact CB-CB 4.26Å; L243-P1306 WeakPolarHBondContact CD1-O 3.47Å; V1173-P1306 HydrophobicContact CB-CG 4.21Å; V1173-P1306 HydrophobicContact CG1-CG 3.75Å; L1177-P1306 HydrophobicContact CD2-CB 3.9Å; L1177-P1306 HydrophobicContact CD2-CG 4.06Å; A1302-P1306 WeakPolarHBondContact O-CD 3.28Å; P1306-V1308 PolarHBondContact O-N 3.38Å; P1306-A1309 PolarHBondContact O-N 3.35Å; P1306-G1310 PolarHBondContact O-N 3.27Å |
| 1307 | P | 95.4 | Very high | 91.4 | Very high | 26 Ų | 26 | 31.8 Ų | 31.8 | 17% | 0.169 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.3 | -44 | 170.7 | -28.5 | 36.5 | 0 | 0 | 0 | 113.9 | A1303 V1304 G1310 Y1311 | A1303-P1307 WeakPolarHBondContact O-CD 3.27Å; A1303-P1307 WeakPolarHBondContact O-CG 3.19Å; V1304-P1307 WeakPolarHBondContact O-CD 3.2Å; P1307-G1310 PolarHBondContact O-N 2.92Å; P1307-Y1311 WeakPolarHBondContact O-CB 3.4Å; P1307-Y1311 PolarHBondContact O-N 2.92Å |
| 1308 | V | 95.5 | Very high | 90.4 | Very high | 51 Ų | 51 | 31.4 Ų | 31.4 | 31% | 0.309 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -65.9 | -42.6 | 177.7 | 170 | 0 | 0 | 0 | 0 | 111 | V1304 G1305 P1306 G1310 Y1311 L1312 F1343 | V1304-V1308 HydrophobicContact CG1-CG2 3.7Å; V1304-V1308 WeakPolarHBondContact O-CB 3.49Å; V1304-V1308 WeakPolarHBondContact O-CG2 3.3Å; V1304-V1308 PolarHBondContact O-N 2.91Å; V1304-V1308 VanDerWaalsContact O-N 3.12Å; G1305-V1308 PolarHBondContact O-N 3.3Å; P1306-V1308 PolarHBondContact O-N 3.38Å; V1308-G1310 PolarHBondContact O-N 2.87Å; V1308-Y1311 PolarHBondContact O-N 2.81Å; V1308-L1312 HydrophobicContact CG1-CD1 4.28Å; V1308-L1312 WeakPolarHBondContact O-CG 3.45Å; V1308-L1312 PolarHBondContact O-N 3.36Å; V1308-F1343 HydrophobicContact CB-CE1 4.42Å; V1308-F1343 HydrophobicContact CB-CZ 4.24Å; V1308-F1343 HydrophobicContact CG1-CE1 4.06Å; V1308-F1343 HydrophobicContact CG1-CE2 3.96Å; V1308-F1343 HydrophobicContact CG1-CZ 3.65Å |
| 1309 | A | 94.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.8 | -43.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1174 G1305 P1306 L1312 R1313 A1340 F1343 | V1174-A1309 HydrophobicContact CB-CB 4.3Å; V1174-A1309 HydrophobicContact CG1-CB 3.47Å; V1174-A1309 VanDerWaalsContact CG1-CB 3.47Å; V1174-A1309 HydrophobicContact CG2-CB 3.78Å; G1305-A1309 WeakPolarHBondContact O-CB 3.28Å; G1305-A1309 PolarHBondContact O-N 3.36Å; P1306-A1309 PolarHBondContact O-N 3.35Å; A1309-L1312 PolarHBondContact O-N 3.48Å; A1309-R1313 PolarHBondContact O-N 2.91Å; A1309-A1340 HydrophobicContact CB-CB 3.89Å; A1309-F1343 HydrophobicContact CB-CD1 4.19Å; A1309-F1343 HydrophobicContact CB-CE1 4.46Å |
| 1310 | G | 91.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.2 | -41.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P1306 P1307 V1308 R1313 D1314 | P1306-G1310 PolarHBondContact O-N 3.27Å; P1307-G1310 PolarHBondContact O-N 2.92Å; V1308-G1310 PolarHBondContact O-N 2.87Å; G1310-R1313 WeakPolarHBondContact O-CB 3.48Å; G1310-R1313 PolarHBondContact O-N 3.04Å; G1310-D1314 PolarHBondContact O-N 3.33Å |
| 1311 | Y | 93 | Very high | 85.8 | Confident | 112 Ų | 112 | 37 Ų | 37 | 44% | 0.439 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.6 | -38.3 | 177.4 | -178.2 | -119.5 | 0 | 0 | 0 | 112.3 | P1307 V1308 R1313 D1314 L1315 | P1307-Y1311 WeakPolarHBondContact O-CB 3.4Å; P1307-Y1311 PolarHBondContact O-N 2.92Å; V1308-Y1311 PolarHBondContact O-N 2.81Å; Y1311-R1313 VanDerWaalsContact C-N 3.32Å; Y1311-D1314 PolarHBondContact O-N 2.82Å; Y1311-L1315 HydrophobicContact CD1-CD1 3.92Å; Y1311-L1315 HydrophobicContact CD1-CG 4.48Å; Y1311-L1315 HydrophobicContact CD2-CG 4.35Å; Y1311-L1315 HydrophobicContact CE1-CD1 3.49Å; Y1311-L1315 VanDerWaalsContact CE1-CD1 3.49Å; Y1311-L1315 HydrophobicContact CE1-CG 4.15Å; Y1311-L1315 HydrophobicContact CE2-CD1 4.25Å; Y1311-L1315 HydrophobicContact CE2-CD2 4.23Å; Y1311-L1315 HydrophobicContact CE2-CG 3.99Å; Y1311-L1315 HydrophobicContact CG-CD1 4.48Å; Y1311-L1315 WeakPolarHBondContact O-CB 3.48Å; Y1311-L1315 VanDerWaalsContact O-CG 3.31Å; Y1311-L1315 WeakPolarHBondContact O-CG 3.22Å; Y1311-L1315 PolarHBondContact O-N 2.81Å |
| 1312 | L | 92 | Very high | 83.9 | Confident | 56 Ų | 56 | 41.6 Ų | 41.6 | 29% | 0.293 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.7 | -34 | 172.7 | -69.5 | 171.9 | 0 | 0 | 0 | 112.3 | V1308 A1309 Q1316 M1339 F1343 | V1308-L1312 HydrophobicContact CG1-CD1 4.28Å; V1308-L1312 WeakPolarHBondContact O-CG 3.45Å; V1308-L1312 PolarHBondContact O-N 3.36Å; A1309-L1312 PolarHBondContact O-N 3.48Å; L1312-Q1316 PolarHBondContact O-N 3.46Å; L1312-M1339 HydrophobicContact CB-CB 4.41Å; L1312-F1343 HydrophobicContact CD1-CB 3.73Å; L1312-F1343 HydrophobicContact CD1-CD1 4.41Å; L1312-F1343 HydrophobicContact CD1-CD2 3.99Å; L1312-F1343 HydrophobicContact CD1-CG 3.79Å |
| 1313 | R | 87.8 | Confident | 81.7 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.015 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.8 | -50.3 | 170.9 | -179.8 | 172.6 | -170.4 | -105.3 | -15.7 | 111.3 | D1181 E1185 A1309 G1310 Y1311 L1315 Q1316 I1317 A1336 | D1181-R1313 VanDerWaalsContact CG-CZ 3.5Å; D1181-R1313 IonicContact OD1-CZ 2.72Å; D1181-R1313 IonicContact OD1-NH1 3.78Å; D1181-R1313 PolarHBondContact OD1-NH1 3.06Å; D1181-R1313 IonicContact OD2-CZ 3.37Å; D1181-R1313 IonicContact OD2-NE 2.74Å; D1181-R1313 IonicContact OD2-NH1 2.81Å; D1181-R1313 PolarHBondContact OD2-NH1 3.18Å; E1185-R1313 IonicContact OE1-CZ 2.78Å; E1185-R1313 VanDerWaalsContact OE1-CZ 3.23Å; E1185-R1313 IonicContact OE1-NE 3.27Å; E1185-R1313 PolarHBondContact OE1-NE 3.07Å; E1185-R1313 IonicContact OE1-NH2 2.76Å; E1185-R1313 PolarHBondContact OE1-NH2 3.06Å; A1309-R1313 PolarHBondContact O-N 2.91Å; G1310-R1313 WeakPolarHBondContact O-CB 3.48Å; G1310-R1313 PolarHBondContact O-N 3.04Å; Y1311-R1313 VanDerWaalsContact C-N 3.32Å; R1313-L1315 PolarHBondContact O-N 2.83Å; R1313-Q1316 PolarHBondContact O-N 3.42Å; R1313-Q1316 VanDerWaalsContact O-N 3.08Å; R1313-I1317 HydrophobicContact CG-CD1 4.43Å; R1313-I1317 PolarHBondContact O-N 3.29Å; R1313-A1336 HydrophobicContact CG-CB 4.04Å |
| 1314 | D | 87.1 | Confident | 78.9 | Confident | 20 Ų | 20 | 49.2 Ų | 49.2 | 11% | 0.107 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.2 | -49 | 178.3 | -65.2 | -31.4 | 0 | 0 | 0 | 110.6 | R239 S240 G1310 Y1311 Q1316 I1317 D1318 | R239-D1314 PolarHBondContact N-OD1 2.88Å; R239-D1314 PolarHBondContact N-OD2 3.23Å; S240-D1314 VanDerWaalsContact CB-OD2 3.28Å; S240-D1314 WeakPolarHBondContact CB-OD2 3.41Å; S240-D1314 PolarHBondContact N-OD2 3.18Å; S240-D1314 PolarHBondContact OG-OD2 3.17Å; G1310-D1314 PolarHBondContact O-N 3.33Å; Y1311-D1314 PolarHBondContact O-N 2.82Å; D1314-Q1316 PolarHBondContact O-N 3.18Å; D1314-I1317 PolarHBondContact O-N 3.35Å; D1314-I1317 VanDerWaalsContact O-N 3.12Å; D1314-D1318 PolarHBondContact O-N 3.34Å |
| 1315 | L | 85.1 | Confident | 76.6 | Confident | 55 Ų | 55 | 52 Ų | 52 | 29% | 0.288 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.9 | -24 | 176.6 | -79 | 178.6 | 0 | 0 | 0 | 114.6 | Y1311 R1313 K1319 | Y1311-L1315 HydrophobicContact CD1-CD1 3.92Å; Y1311-L1315 HydrophobicContact CD1-CG 4.48Å; Y1311-L1315 HydrophobicContact CD2-CG 4.35Å; Y1311-L1315 HydrophobicContact CE1-CD1 3.49Å; Y1311-L1315 VanDerWaalsContact CE1-CD1 3.49Å; Y1311-L1315 HydrophobicContact CE1-CG 4.15Å; Y1311-L1315 HydrophobicContact CE2-CD1 4.25Å; Y1311-L1315 HydrophobicContact CE2-CD2 4.23Å; Y1311-L1315 HydrophobicContact CE2-CG 3.99Å; Y1311-L1315 HydrophobicContact CG-CD1 4.48Å; Y1311-L1315 WeakPolarHBondContact O-CB 3.48Å; Y1311-L1315 VanDerWaalsContact O-CG 3.31Å; Y1311-L1315 WeakPolarHBondContact O-CG 3.22Å; Y1311-L1315 PolarHBondContact O-N 2.81Å; R1313-L1315 PolarHBondContact O-N 2.83Å; L1315-K1319 WeakPolarHBondContact O-CD 3.49Å; L1315-K1319 WeakPolarHBondContact O-CE 3.33Å; L1315-K1319 WeakPolarHBondContact O-CG 3.47Å |
| 1316 | Q | 81.4 | Confident | 74.1 | Confident | 45 Ų | 45 | 56.8 Ų | 56.8 | 21% | 0.21 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -84.3 | -28.1 | 178.1 | -169.6 | 61.7 | 15.6 | 0 | 0 | 111.7 | L1312 R1313 D1314 A1336 M1339 | L1312-Q1316 PolarHBondContact O-N 3.46Å; R1313-Q1316 PolarHBondContact O-N 3.42Å; R1313-Q1316 VanDerWaalsContact O-N 3.08Å; D1314-Q1316 PolarHBondContact O-N 3.18Å; Q1316-A1336 HydrophobicContact CB-CB 4.43Å; Q1316-M1339 HydrophobicContact CB-CG 4.23Å; Q1316-M1339 HydrophobicContact CG-CG 4.04Å |
| 1317 | I | 73.7 | Confident | 71.8 | Confident | 20 Ų | 20 | 59.8 Ų | 59.8 | 10% | 0.103 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.6 | -41 | 172.2 | -62.4 | 167.5 | 0 | 0 | 0 | 110.5 | I217 I225 R1313 D1314 K1319 T1320 A1336 | I217-I1317 HydrophobicContact CD1-CG2 4.33Å; I225-I1317 HydrophobicContact CD1-CG2 3.85Å; I225-I1317 HydrophobicContact CG2-CD1 3.99Å; R1313-I1317 HydrophobicContact CG-CD1 4.43Å; R1313-I1317 PolarHBondContact O-N 3.29Å; D1314-I1317 PolarHBondContact O-N 3.35Å; D1314-I1317 VanDerWaalsContact O-N 3.12Å; I1317-K1319 PolarHBondContact O-N 3.34Å; I1317-T1320 PolarHBondContact O-N 3.33Å; I1317-T1320 PolarHBondContact O-OG1 3.38Å; I1317-A1336 HydrophobicContact CD1-CB 4.24Å; I1317-A1336 HydrophobicContact CG1-CB 3.6Å |
| 1318 | D | 70.6 | Confident | 69.4 | Low | 59 Ų | 59 | 60.8 Ų | 60.8 | 32% | 0.316 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -20.3 | 179.5 | -99.7 | -37.9 | 0 | 0 | 0 | 114.3 | R215 D1314 | R215-D1318 IonicContact CZ-OD1 3.43Å; R215-D1318 PolarHBondContact NH1-O 3.01Å; R215-D1318 IonicContact NH1-OD1 3.47Å; R215-D1318 PolarHBondContact NH1-OD1 3.19Å; D1314-D1318 PolarHBondContact O-N 3.34Å |
| 1319 | K | 70.4 | Confident | 67 | Low | 125 Ų | 125 | 68.2 Ų | 68.2 | 54% | 0.543 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -21.9 | -179.9 | -70.4 | 171.2 | -171.2 | 172.3 | 0 | 114.1 | L1315 I1317 P1321 | L1315-K1319 WeakPolarHBondContact O-CD 3.49Å; L1315-K1319 WeakPolarHBondContact O-CE 3.33Å; L1315-K1319 WeakPolarHBondContact O-CG 3.47Å; I1317-K1319 PolarHBondContact O-N 3.34Å; K1319-P1321 WeakPolarHBondContact O-CD 3.31Å |
| 1320 | T | 60.8 | Low | 64.5 | Low | 46 Ų | 46 | 75 Ų | 75 | 28% | 0.282 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -78 | 120.2 | 178.5 | 38.5 | 0 | 0 | 0 | 0 | 110.6 | I1317 H1334 | I1317-T1320 PolarHBondContact O-N 3.33Å; I1317-T1320 PolarHBondContact O-OG1 3.38Å; T1320-H1334 PolarHBondContact OG1-CE1 3.39Å |
| 1321 | P | 53.4 | Low | 62.2 | Low | 74 Ų | 74 | 76.1 Ų | 76.1 | 48% | 0.481 | 40% | 0.403 | S | S | . | . | trans | -72 | 152.5 | 175.5 | 30.9 | -34.7 | 0 | 0 | 0 | 110.9 | K1319 F1323 | K1319-P1321 WeakPolarHBondContact O-CD 3.31Å; P1321-F1323 HydrophobicContact CG-CD2 4.39Å; P1321-F1323 HydrophobicContact CG-CE1 4.21Å; P1321-F1323 HydrophobicContact CG-CE2 3.81Å; P1321-F1323 HydrophobicContact CG-CZ 3.71Å; P1321-F1323 WeakPolarHBondContact O-CD2 3.4Å; P1321-F1323 PolarHBondContact O-N 3.33Å | ||
| 1322 | P | 54 | Low | 60.1 | Low | 101 Ų | 101 | 74.7 Ų | 74.7 | 66% | 0.656 | 41% | 0.408 | S | S | * | . | trans | -69.1 | 100.3 | 172.3 | 28.5 | -33.2 | 0 | 0 | 0 | 110 | ||||
| 1323 | F | 48.5 | Very low | 58.2 | Low | 107 Ų | 107 | 73.1 Ų | 73.1 | 47% | 0.469 | 40% | 0.402 | S | S | . | . | trans | -70.8 | 149.8 | 179.3 | -71.3 | -82.2 | 0 | 0 | 0 | 112.7 | I220 P1321 | I220-F1323 HydrophobicContact CD1-CB 4.09Å; I220-F1323 VanDerWaalsContact CD1-O 3.26Å; I220-F1323 WeakPolarHBondContact CD1-O 3.45Å; I220-F1323 WeakPolarHBondContact CG1-O 3.15Å; P1321-F1323 HydrophobicContact CG-CD2 4.39Å; P1321-F1323 HydrophobicContact CG-CE1 4.21Å; P1321-F1323 HydrophobicContact CG-CE2 3.81Å; P1321-F1323 HydrophobicContact CG-CZ 3.71Å; P1321-F1323 WeakPolarHBondContact O-CD2 3.4Å; P1321-F1323 PolarHBondContact O-N 3.33Å | ||
| 1324 | S | 37.9 | Very low | 57 | Low | 77 Ų | 77 | 74.2 Ų | 74.2 | 54% | 0.538 | 41% | 0.408 | S | S | . | . | trans | -68.6 | 148.2 | 179.2 | -176 | 0 | 0 | 0 | 0 | 113 | S1326 T1327 | S1324-S1326 PolarHBondContact O-N 3.26Å; S1324-S1326 PolarHBondContact OG-OG 2.81Å; S1324-T1327 PolarHBondContact O-N 3.15Å | ||
| 1325 | I | 46.8 | Very low | 56.4 | Low | 114 Ų | 114 | 78 Ų | 78 | 59% | 0.585 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -66.9 | -5.5 | -180 | -141.8 | 164.9 | 0 | 0 | 0 | 113.6 | V221 T1327 V1328 | V221-I1325 HydrophobicContact CG2-CD1 4.28Å; I1325-T1327 PolarHBondContact O-N 2.76Å; I1325-V1328 HydrophobicContact CG1-CG2 3.99Å; I1325-V1328 WeakPolarHBondContact O-CG2 3.09Å |
| 1326 | S | 41.1 | Very low | 56.2 | Low | 99 Ų | 99 | 75.4 Ų | 75.4 | 69% | 0.692 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -66.4 | -18.9 | 172 | 51.5 | 0 | 0 | 0 | 0 | 114 | S1324 | S1324-S1326 PolarHBondContact O-N 3.26Å; S1324-S1326 PolarHBondContact OG-OG 2.81Å |
| 1327 | T | 47.3 | Very low | 56.5 | Low | 65 Ų | 65 | 73.2 Ų | 73.2 | 40% | 0.399 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -105.3 | 13.8 | -170 | -34.5 | 0 | 0 | 0 | 0 | 113.4 | S1324 I1325 Y1329 N1330 A1331 | S1324-T1327 PolarHBondContact O-N 3.15Å; I1325-T1327 PolarHBondContact O-N 2.76Å; T1327-Y1329 VanDerWaalsContact C-N 3.27Å; T1327-Y1329 PolarHBondContact O-N 2.81Å; T1327-N1330 HydrophobicContact CG2-CB 4.26Å; T1327-N1330 CarbonylContact O-C 3.49Å; T1327-N1330 PolarHBondContact O-N 2.66Å; T1327-A1331 PolarHBondContact O-N 3.11Å |
| 1328 | V | 46.5 | Very low | 57.2 | Low | 46 Ų | 46 | 72.9 Ų | 72.9 | 28% | 0.279 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -47.3 | -40.5 | -172.1 | 167.7 | 0 | 0 | 0 | 0 | 114.5 | V221 I1325 N1330 | V221-V1328 HydrophobicContact CB-CG2 4.1Å; V221-V1328 HydrophobicContact CG1-CG1 4.07Å; V221-V1328 WeakPolarHBondContact O-CG2 3.05Å; I1325-V1328 HydrophobicContact CG1-CG2 3.99Å; I1325-V1328 WeakPolarHBondContact O-CG2 3.09Å; V1328-N1330 VanDerWaalsContact C-N 3.33Å; V1328-N1330 PolarHBondContact O-N 3.46Å |
| 1329 | Y | 43.7 | Very low | 58.1 | Low | 208 Ų | 208 | 73.7 Ų | 73.7 | 82% | 0.816 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -73.3 | -19.1 | 179.9 | -93.4 | -90.9 | 0 | 0 | 0 | 115 | T1327 | T1327-Y1329 VanDerWaalsContact C-N 3.27Å; T1327-Y1329 PolarHBondContact O-N 2.81Å |
| 1330 | N | 41.4 | Very low | 59.1 | Low | 142 Ų | 142 | 67.7 Ų | 67.7 | 76% | 0.759 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -125.1 | 17.3 | -179.9 | -82.1 | -33.3 | 0 | 0 | 0 | 112.3 | T1327 V1328 | T1327-N1330 HydrophobicContact CG2-CB 4.26Å; T1327-N1330 CarbonylContact O-C 3.49Å; T1327-N1330 PolarHBondContact O-N 2.66Å; V1328-N1330 VanDerWaalsContact C-N 3.33Å; V1328-N1330 PolarHBondContact O-N 3.46Å |
| 1331 | A | 42.8 | Very low | 60.8 | Low | 23 Ų | 23 | 65.5 Ų | 65.5 | 19% | 0.19 | 37% | 0.367 | C | S | . | . | trans | -59.5 | 124 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | T1327 A1333 | T1327-A1331 PolarHBondContact O-N 3.11Å; A1331-A1333 PolarHBondContact O-N 3.1Å | ||
| 1332 | P | 48.8 | Very low | 62.7 | Low | 83 Ų | 83 | 65.7 Ų | 65.7 | 54% | 0.539 | 36% | 0.363 | S | S | . | . | trans | -68.5 | 101.6 | 179.5 | 27.1 | -33 | 0 | 0 | 0 | 109 | H1334 | P1332-H1334 PolarHBondContact O-N 3.43Å; P1332-H1334 VanDerWaalsContact O-N 3.13Å | ||
| 1333 | A | 53.7 | Low | 64.7 | Low | 22 Ų | 22 | 62.8 Ų | 62.8 | 18% | 0.182 | 34% | 0.34 | C | S | . | . | trans | -47.8 | 122.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | M1186 R1250 A1331 N1335 | M1186-A1333 HydrophobicContact SD-CB 4.22Å; R1250-A1333 PolarHBondContact NH2-O 3.17Å; A1331-A1333 PolarHBondContact O-N 3.1Å; A1333-N1335 PolarHBondContact O-N 3.15Å; A1333-N1335 PolarHBondContact O-OD1 2.76Å | ||
| 1334 | H | 61.7 | Low | 67 | Low | 28 Ų | 28 | 57.7 Ų | 57.7 | 13% | 0.13 | 32% | 0.318 | C | S | . | . | trans | -47.1 | 127.7 | -168.7 | -100.7 | -124.3 | 0 | 0 | 0 | 111.2 | E1185 R1250 T1320 P1332 A1336 | E1185-H1334 VanDerWaalsContact OE2-O 3.09Å; R1250-H1334 PolarHBondContact NH1-O 2.9Å; R1250-H1334 PolarHBondContact NH2-O 3.08Å; T1320-H1334 PolarHBondContact OG1-CE1 3.39Å; P1332-H1334 PolarHBondContact O-N 3.43Å; P1332-H1334 VanDerWaalsContact O-N 3.13Å; H1334-A1336 VanDerWaalsContact C-N 3.26Å | ||
| 1335 | N | 74.1 | Confident | 69.8 | Low | 98 Ų | 98 | 54.2 Ų | 54.2 | 52% | 0.524 | 29% | 0.293 | S | S | . | . | trans | -93.6 | 25.8 | 175.2 | -76.7 | -11.7 | 0 | 0 | 0 | 110.7 | R1250 A1333 S1338 | R1250-N1335 PolarHBondContact NH2-OD1 3.23Å; A1333-N1335 PolarHBondContact O-N 3.15Å; A1333-N1335 PolarHBondContact O-OD1 2.76Å; N1335-S1338 WeakPolarHBondContact O-CB 3.31Å; N1335-S1338 PolarHBondContact O-N 2.86Å | ||
| 1336 | A | 81.5 | Confident | 72.1 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.9 | -48.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R1313 Q1316 I1317 H1334 S1338 M1339 | R1313-A1336 HydrophobicContact CG-CB 4.04Å; Q1316-A1336 HydrophobicContact CB-CB 4.43Å; I1317-A1336 HydrophobicContact CD1-CB 4.24Å; I1317-A1336 HydrophobicContact CG1-CB 3.6Å; H1334-A1336 VanDerWaalsContact C-N 3.26Å; A1336-S1338 PolarHBondContact O-N 2.83Å; A1336-M1339 PolarHBondContact O-N 3.23Å |
| 1337 | S | 86.8 | Confident | 74.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.4 | -34.4 | 171.8 | 61.7 | 0 | 0 | 0 | 0 | 112.9 | L1182 E1185 M1339 A1340 F1341 | L1182-S1337 WeakPolarHBondContact CD1-OG 3.27Å; E1185-S1337 WeakPolarHBondContact OE1-CB 3.41Å; E1185-S1337 PolarHBondContact OE1-N 3.4Å; E1185-S1337 VanDerWaalsContact OE2-CB 3.3Å; E1185-S1337 WeakPolarHBondContact OE2-CB 3.43Å; E1185-S1337 PolarHBondContact OE2-N 2.99Å; E1185-S1337 PolarHBondContact OE2-OG 3.29Å; S1337-M1339 PolarHBondContact O-N 3.16Å; S1337-M1339 VanDerWaalsContact O-N 3.09Å; S1337-A1340 VanDerWaalsContact O-CB 3.29Å; S1337-A1340 WeakPolarHBondContact O-CB 3.36Å; S1337-A1340 PolarHBondContact O-N 3.2Å; S1337-F1341 WeakPolarHBondContact O-CD2 3.01Å; S1337-F1341 PolarHBondContact O-N 2.8Å |
| 1338 | S | 89.4 | Confident | 77.1 | Confident | 12 Ų | 12 | 44 Ų | 44 | 8% | 0.084 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.3 | -31.2 | -175.5 | -51.7 | 0 | 0 | 0 | 0 | 114.1 | N1335 A1336 A1340 F1341 I1342 | N1335-S1338 WeakPolarHBondContact O-CB 3.31Å; N1335-S1338 PolarHBondContact O-N 2.86Å; A1336-S1338 PolarHBondContact O-N 2.83Å; S1338-A1340 VanDerWaalsContact C-N 3.33Å; S1338-A1340 PolarHBondContact O-N 3.25Å; S1338-F1341 PolarHBondContact O-N 3.27Å; S1338-I1342 WeakPolarHBondContact O-CG1 3.3Å; S1338-I1342 PolarHBondContact O-N 3Å |
| 1339 | M | 89.1 | Confident | 79.5 | Confident | 76 Ų | 76 | 46.2 Ų | 46.2 | 37% | 0.374 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.5 | -35.9 | 175.6 | -71.8 | -63 | -167.3 | 0 | 0 | 112.6 | L1312 Q1316 A1336 S1337 I1342 F1343 | L1312-M1339 HydrophobicContact CB-CB 4.41Å; Q1316-M1339 HydrophobicContact CB-CG 4.23Å; Q1316-M1339 HydrophobicContact CG-CG 4.04Å; A1336-M1339 PolarHBondContact O-N 3.23Å; S1337-M1339 PolarHBondContact O-N 3.16Å; S1337-M1339 VanDerWaalsContact O-N 3.09Å; M1339-I1342 PolarHBondContact O-N 3.49Å; M1339-F1343 WeakPolarHBondContact O-CB 3.47Å; M1339-F1343 PolarHBondContact O-N 3.12Å |
| 1340 | A | 92.6 | Very high | 81.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.3 | -38.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1174 M1178 A1309 S1337 S1338 S1344 | V1174-A1340 HydrophobicContact CG1-CB 4.14Å; M1178-A1340 HydrophobicContact CG-CB 4.17Å; M1178-A1340 HydrophobicContact SD-CB 4.22Å; A1309-A1340 HydrophobicContact CB-CB 3.89Å; S1337-A1340 VanDerWaalsContact O-CB 3.29Å; S1337-A1340 WeakPolarHBondContact O-CB 3.36Å; S1337-A1340 PolarHBondContact O-N 3.2Å; S1338-A1340 VanDerWaalsContact C-N 3.33Å; S1338-A1340 PolarHBondContact O-N 3.25Å; A1340-S1344 WeakPolarHBondContact O-CB 3.46Å; A1340-S1344 PolarHBondContact O-N 2.9Å |
| 1341 | F | 94.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.6 | -38.5 | 175.8 | -71.6 | -85.7 | 0 | 0 | 0 | 112.4 | P1175 M1178 L1179 L1182 V1243 L1246 P1247 S1337 S1338 S1344 A1345 | P1175-F1341 HydrophobicContact CB-CE1 4.04Å; M1178-F1341 HydrophobicContact CB-CE2 3.93Å; M1178-F1341 HydrophobicContact CB-CZ 3.93Å; L1179-F1341 HydrophobicContact CD1-CE1 3.84Å; L1179-F1341 HydrophobicContact CD1-CZ 4Å; L1182-F1341 HydrophobicContact CB-CE2 3.86Å; L1182-F1341 HydrophobicContact CB-CZ 4.19Å; L1182-F1341 HydrophobicContact CD1-CE2 4.4Å; L1182-F1341 HydrophobicContact CD2-CD2 4.36Å; L1182-F1341 HydrophobicContact CD2-CE1 4.36Å; L1182-F1341 HydrophobicContact CD2-CE2 3.83Å; L1182-F1341 HydrophobicContact CD2-CZ 3.82Å; L1182-F1341 HydrophobicContact CG-CE2 4.24Å; V1243-F1341 HydrophobicContact CG1-CD1 4.23Å; V1243-F1341 WeakPolarHBondContact CG1-O 3.37Å; L1246-F1341 HydrophobicContact CB-CD1 4.23Å; L1246-F1341 HydrophobicContact CB-CE1 4.48Å; L1246-F1341 HydrophobicContact CD1-CD1 3.97Å; L1246-F1341 HydrophobicContact CD1-CE1 3.8Å; P1247-F1341 HydrophobicContact CG-CB 3.92Å; S1337-F1341 WeakPolarHBondContact O-CD2 3.01Å; S1337-F1341 PolarHBondContact O-N 2.8Å; S1338-F1341 PolarHBondContact O-N 3.27Å; F1341-S1344 PolarHBondContact O-N 3.37Å; F1341-A1345 WeakPolarHBondContact O-CB 3.43Å; F1341-A1345 PolarHBondContact O-N 3.27Å |
| 1342 | I | 94.6 | Very high | 86.9 | Confident | 78 Ų | 78 | 31.5 Ų | 31.5 | 40% | 0.4 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.1 | -43 | 174.7 | -68 | 164.2 | 0 | 0 | 0 | 110.9 | S1338 M1339 A1345 S1346 | S1338-I1342 WeakPolarHBondContact O-CG1 3.3Å; S1338-I1342 PolarHBondContact O-N 3Å; M1339-I1342 PolarHBondContact O-N 3.49Å; I1342-A1345 PolarHBondContact O-N 2.73Å; I1342-S1346 WeakPolarHBondContact O-CB 3.34Å; I1342-S1346 PolarHBondContact O-N 2.92Å; I1342-S1346 PolarHBondContact O-OG 3.4Å |
| 1343 | F | 95.7 | Very high | 89 | Confident | 40 Ų | 40 | 32.1 Ų | 32.1 | 18% | 0.175 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.1 | -47.3 | 172.5 | 168.3 | -105.6 | 0 | 0 | 0 | 112.4 | L1170 V1174 V1308 A1309 L1312 M1339 A1345 S1346 A1347 | L1170-F1343 HydrophobicContact CD1-CZ 4.24Å; L1170-F1343 HydrophobicContact CD2-CE2 4.28Å; L1170-F1343 HydrophobicContact CD2-CZ 3.9Å; L1170-F1343 HydrophobicContact CG-CE1 4.42Å; L1170-F1343 HydrophobicContact CG-CZ 3.83Å; V1174-F1343 HydrophobicContact CG2-CE1 4.5Å; V1308-F1343 HydrophobicContact CB-CE1 4.42Å; V1308-F1343 HydrophobicContact CB-CZ 4.24Å; V1308-F1343 HydrophobicContact CG1-CE1 4.06Å; V1308-F1343 HydrophobicContact CG1-CE2 3.96Å; V1308-F1343 HydrophobicContact CG1-CZ 3.65Å; A1309-F1343 HydrophobicContact CB-CD1 4.19Å; A1309-F1343 HydrophobicContact CB-CE1 4.46Å; L1312-F1343 HydrophobicContact CD1-CB 3.73Å; L1312-F1343 HydrophobicContact CD1-CD1 4.41Å; L1312-F1343 HydrophobicContact CD1-CD2 3.99Å; L1312-F1343 HydrophobicContact CD1-CG 3.79Å; M1339-F1343 WeakPolarHBondContact O-CB 3.47Å; M1339-F1343 PolarHBondContact O-N 3.12Å; F1343-A1345 PolarHBondContact O-N 3.32Å; F1343-S1346 PolarHBondContact O-N 3.35Å; F1343-S1346 PolarHBondContact O-OG 2.88Å; F1343-A1347 PolarHBondContact O-N 3.46Å; F1343-A1347 VanDerWaalsContact O-N 3.08Å |
| 1344 | S | 96.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.1 | -46.7 | 176.4 | 177 | 0 | 0 | 0 | 0 | 112.1 | G1171 P1175 A1340 F1341 S1346 A1347 L1348 | G1171-S1344 PolarHBondContact O-OG 2.94Å; P1175-S1344 WeakPolarHBondContact CD-OG 3.44Å; A1340-S1344 WeakPolarHBondContact O-CB 3.46Å; A1340-S1344 PolarHBondContact O-N 2.9Å; F1341-S1344 PolarHBondContact O-N 3.37Å; S1344-S1346 PolarHBondContact O-N 3.13Å; S1344-A1347 PolarHBondContact O-N 3.15Å; S1344-L1348 WeakPolarHBondContact O-CD1 3.46Å; S1344-L1348 WeakPolarHBondContact O-CG 3.16Å; S1344-L1348 PolarHBondContact O-N 3.37Å; S1344-L1348 VanDerWaalsContact O-N 3.11Å |
| 1345 | A | 96.7 | Very high | 91.9 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 3% | 0.025 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.2 | -37.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | S1240 V1243 F1244 F1341 I1342 F1343 F1349 | S1240-A1345 PolarHBondContact OG-O 3.12Å; V1243-A1345 HydrophobicContact CB-CB 4.28Å; V1243-A1345 HydrophobicContact CG1-CB 3.99Å; F1244-A1345 HydrophobicContact CB-CB 3.9Å; F1244-A1345 HydrophobicContact CD2-CB 4.4Å; F1341-A1345 WeakPolarHBondContact O-CB 3.43Å; F1341-A1345 PolarHBondContact O-N 3.27Å; I1342-A1345 PolarHBondContact O-N 2.73Å; F1343-A1345 PolarHBondContact O-N 3.32Å; A1345-F1349 WeakPolarHBondContact O-CB 3.16Å; A1345-F1349 PolarHBondContact O-N 3.06Å |
| 1346 | S | 96.8 | Very high | 92.5 | Very high | 58 Ų | 58 | 30 Ų | 30 | 41% | 0.406 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -71.3 | -37.1 | 179 | 71 | 0 | 0 | 0 | 0 | 112.7 | I1342 F1343 S1344 F1349 T1350 | I1342-S1346 WeakPolarHBondContact O-CB 3.34Å; I1342-S1346 PolarHBondContact O-N 2.92Å; I1342-S1346 PolarHBondContact O-OG 3.4Å; F1343-S1346 PolarHBondContact O-N 3.35Å; F1343-S1346 PolarHBondContact O-OG 2.88Å; S1344-S1346 PolarHBondContact O-N 3.13Å; S1346-F1349 PolarHBondContact O-N 3.49Å; S1346-T1350 WeakPolarHBondContact O-CB 3.32Å; S1346-T1350 PolarHBondContact O-N 2.9Å; S1346-T1350 PolarHBondContact O-OG1 2.83Å |
| 1347 | A | 96.6 | Very high | 92.7 | Very high | 5 Ų | 5 | 32 Ų | 32 | 4% | 0.041 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.1 | -43.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | M1167 L1170 F1343 S1344 T1350 S1351 | M1167-A1347 WeakPolarHBondContact O-CB 3.3Å; L1170-A1347 HydrophobicContact CB-CB 4.43Å; L1170-A1347 HydrophobicContact CD2-CB 4.34Å; F1343-A1347 PolarHBondContact O-N 3.46Å; F1343-A1347 VanDerWaalsContact O-N 3.08Å; S1344-A1347 PolarHBondContact O-N 3.15Å; A1347-T1350 PolarHBondContact O-N 2.81Å; A1347-S1351 WeakPolarHBondContact O-CB 3.31Å; A1347-S1351 PolarHBondContact O-N 3.19Å |
| 1348 | L | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.3 | -39 | 174.1 | -70.8 | 164 | 0 | 0 | 0 | 112.7 | L1172 L1236 T1239 V1243 S1344 S1351 C1352 | L1172-L1348 HydrophobicContact CB-CD2 4.28Å; L1236-L1348 HydrophobicContact CD2-CD2 4.2Å; T1239-L1348 HydrophobicContact CG2-CD1 4Å; T1239-L1348 HydrophobicContact CG2-CD2 4.34Å; V1243-L1348 HydrophobicContact CB-CD1 4.42Å; V1243-L1348 HydrophobicContact CG2-CD1 3.93Å; S1344-L1348 WeakPolarHBondContact O-CD1 3.46Å; S1344-L1348 WeakPolarHBondContact O-CG 3.16Å; S1344-L1348 PolarHBondContact O-N 3.37Å; S1344-L1348 VanDerWaalsContact O-N 3.11Å; L1348-S1351 WeakPolarHBondContact O-CB 3.37Å; L1348-S1351 PolarHBondContact O-N 3.02Å; L1348-C1352 PolarHBondContact O-N 3.49Å; L1348-C1352 VanDerWaalsContact O-N 3.13Å |
| 1349 | F | 96.4 | Very high | 92 | Very high | 93 Ų | 93 | 34.7 Ų | 34.7 | 41% | 0.408 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.1 | -44.6 | 175.4 | -170.2 | -110.7 | 0 | 0 | 0 | 111.8 | L1237 A1345 S1346 S1351 C1352 L1353 | L1237-F1349 HydrophobicContact CD1-CE2 4.32Å; A1345-F1349 WeakPolarHBondContact O-CB 3.16Å; A1345-F1349 PolarHBondContact O-N 3.06Å; S1346-F1349 PolarHBondContact O-N 3.49Å; F1349-S1351 VanDerWaalsContact C-N 3.29Å; F1349-S1351 PolarHBondContact O-N 3Å; F1349-C1352 WeakPolarHBondContact O-CB 3.39Å; F1349-C1352 PolarHBondContact O-N 3.26Å; F1349-C1352 VanDerWaalsContact O-N 3.1Å; F1349-L1353 HydrophobicContact CD1-CD1 3.95Å; F1349-L1353 HydrophobicContact CD1-CG 4.29Å; F1349-L1353 HydrophobicContact CE1-CD1 3.72Å; F1349-L1353 HydrophobicContact CE1-CD2 4.26Å; F1349-L1353 HydrophobicContact CE1-CG 4.07Å; F1349-L1353 HydrophobicContact CZ-CD2 4.26Å; F1349-L1353 HydrophobicContact CZ-CG 4.46Å; F1349-L1353 PolarHBondContact O-N 2.67Å |
| 1350 | T | 95.4 | Very high | 91.6 | Very high | 57 Ų | 57 | 38 Ų | 38 | 35% | 0.35 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.4 | -38.7 | 175.7 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | M1167 S1346 A1347 C1352 L1353 L1354 | M1167-T1350 HydrophobicContact CG-CG2 4.26Å; M1167-T1350 HydrophobicContact SD-CG2 4.47Å; S1346-T1350 WeakPolarHBondContact O-CB 3.32Å; S1346-T1350 PolarHBondContact O-N 2.9Å; S1346-T1350 PolarHBondContact O-OG1 2.83Å; A1347-T1350 PolarHBondContact O-N 2.81Å; T1350-C1352 PolarHBondContact O-N 2.75Å; T1350-L1353 PolarHBondContact O-N 3.49Å; T1350-L1354 HydrophobicContact CG2-CD1 4.14Å; T1350-L1354 WeakPolarHBondContact O-CG 3.37Å; T1350-L1354 PolarHBondContact O-N 3.06Å |
| 1351 | S | 94.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.8 | -45.1 | 171.6 | -179.1 | 0 | 0 | 0 | 0 | 112.5 | S1164 A1168 A1347 L1348 F1349 L1354 G1355 | S1164-S1351 WeakPolarHBondContact O-CB 3.43Å; S1164-S1351 PolarHBondContact O-OG 3.29Å; S1164-S1351 PolarHBondContact OG-O 3.19Å; S1164-S1351 PolarHBondContact OG-OG 2.95Å; A1168-S1351 WeakPolarHBondContact CB-OG 3.35Å; A1347-S1351 WeakPolarHBondContact O-CB 3.31Å; A1347-S1351 PolarHBondContact O-N 3.19Å; L1348-S1351 WeakPolarHBondContact O-CB 3.37Å; L1348-S1351 PolarHBondContact O-N 3.02Å; F1349-S1351 VanDerWaalsContact C-N 3.29Å; F1349-S1351 PolarHBondContact O-N 3Å; S1351-L1354 PolarHBondContact O-N 2.85Å; S1351-G1355 PolarHBondContact O-N 2.91Å |
| 1352 | C | 93.5 | Very high | 90 | Very high | 7 Ų | 7 | 40.2 Ų | 40.2 | 5% | 0.047 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.2 | -45.4 | 175 | -175.5 | 0 | 0 | 0 | 0 | 112.2 | N1233 L1236 L1348 F1349 T1350 L1354 G1355 C1356 | N1233-C1352 PolarHBondContact O-SG 3.07Å; L1236-C1352 HydrophobicContact CB-CB 4.13Å; L1348-C1352 PolarHBondContact O-N 3.49Å; L1348-C1352 VanDerWaalsContact O-N 3.13Å; F1349-C1352 WeakPolarHBondContact O-CB 3.39Å; F1349-C1352 PolarHBondContact O-N 3.26Å; F1349-C1352 VanDerWaalsContact O-N 3.1Å; T1350-C1352 PolarHBondContact O-N 2.75Å; C1352-L1354 VanDerWaalsContact C-N 3.31Å; C1352-L1354 PolarHBondContact O-N 3.33Å; C1352-G1355 WeakPolarHBondContact O-CA 3.21Å; C1352-G1355 PolarHBondContact O-N 3.23Å; C1352-C1356 PolarHBondContact O-N 3.05Å; C1352-C1356 PolarHBondContact O-SG 3.12Å |
| 1353 | L | 93.2 | Very high | 88.9 | Confident | 97 Ų | 97 | 43.4 Ų | 43.4 | 51% | 0.508 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.1 | -41.6 | 178.1 | -68 | 177.8 | 0 | 0 | 0 | 112.1 | F1349 T1350 G1355 P1357 | F1349-L1353 HydrophobicContact CD1-CD1 3.95Å; F1349-L1353 HydrophobicContact CD1-CG 4.29Å; F1349-L1353 HydrophobicContact CE1-CD1 3.72Å; F1349-L1353 HydrophobicContact CE1-CD2 4.26Å; F1349-L1353 HydrophobicContact CE1-CG 4.07Å; F1349-L1353 HydrophobicContact CZ-CD2 4.26Å; F1349-L1353 HydrophobicContact CZ-CG 4.46Å; F1349-L1353 PolarHBondContact O-N 2.67Å; T1350-L1353 PolarHBondContact O-N 3.49Å; L1353-G1355 VanDerWaalsContact C-N 3.31Å; L1353-P1357 WeakPolarHBondContact O-CD 3.39Å |
| 1354 | L | 90.8 | Very high | 87.3 | Confident | 41 Ų | 41 | 48.1 Ų | 48.1 | 22% | 0.215 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71 | -25 | 174.5 | -67.6 | 169.3 | 0 | 0 | 0 | 113.1 | F1160 F1163 M1167 T1350 S1351 C1352 P1357 | F1160-L1354 HydrophobicContact CD1-CD2 4.44Å; F1160-L1354 HydrophobicContact CE1-CD2 4.37Å; F1163-L1354 HydrophobicContact CD1-CD1 3.66Å; F1163-L1354 HydrophobicContact CE1-CD1 4.37Å; M1167-L1354 HydrophobicContact CG-CD1 4.16Å; T1350-L1354 HydrophobicContact CG2-CD1 4.14Å; T1350-L1354 WeakPolarHBondContact O-CG 3.37Å; T1350-L1354 PolarHBondContact O-N 3.06Å; S1351-L1354 PolarHBondContact O-N 2.85Å; C1352-L1354 VanDerWaalsContact C-N 3.31Å; C1352-L1354 PolarHBondContact O-N 3.33Å; L1354-P1357 WeakPolarHBondContact O-CD 3.29Å |
| 1355 | G | 85.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -75.3 | -31.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N1233 S1351 C1352 L1353 L1358 | N1233-G1355 PolarHBondContact ND2-O 2.93Å; S1351-G1355 PolarHBondContact O-N 2.91Å; C1352-G1355 WeakPolarHBondContact O-CA 3.21Å; C1352-G1355 PolarHBondContact O-N 3.23Å; L1353-G1355 VanDerWaalsContact C-N 3.31Å; G1355-L1358 WeakPolarHBondContact O-CB 3.34Å; G1355-L1358 PolarHBondContact O-N 3.18Å |
| 1356 | C | 86.1 | Confident | 83 | Confident | 63 Ų | 63 | 57.4 Ų | 57.4 | 43% | 0.426 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -50.3 | 179.7 | -71.1 | 0 | 0 | 0 | 0 | 115.1 | N1233 C1352 L1358 | N1233-C1356 PolarHBondContact ND2-N 2.9Å; C1352-C1356 PolarHBondContact O-N 3.05Å; C1352-C1356 PolarHBondContact O-SG 3.12Å; C1356-L1358 PolarHBondContact O-N 3.05Å |
| 1357 | P | 85.3 | Confident | 80 | Confident | 41 Ų | 41 | 59.1 Ų | 59.1 | 27% | 0.266 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -12.8 | -177.4 | 26.7 | -36 | 0 | 0 | 0 | 114.8 | F1160 L1353 L1354 R1359 W1360 L1361 | F1160-P1357 HydrophobicContact CD1-CG 4.04Å; F1160-P1357 HydrophobicContact CE1-CG 4.12Å; L1353-P1357 WeakPolarHBondContact O-CD 3.39Å; L1354-P1357 WeakPolarHBondContact O-CD 3.29Å; P1357-R1359 VanDerWaalsContact C-N 3.34Å; P1357-R1359 PolarHBondContact O-N 2.72Å; P1357-W1360 WeakPolarHBondContact O-CB 3.46Å; P1357-W1360 PolarHBondContact O-N 2.98Å; P1357-L1361 HydrophobicContact CB-CD1 4.23Å; P1357-L1361 HydrophobicContact CB-CG 4.43Å; P1357-L1361 PolarHBondContact O-N 2.76Å |
| 1358 | L | 83.4 | Confident | 77 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.9 | -37.5 | -172.4 | -75.5 | 170.2 | 0 | 0 | 0 | 114 | T1157 F1160 F1161 L1229 G1355 C1356 W1360 L1361 S1362 | T1157-L1358 HydrophobicContact CG2-CD2 4Å; T1157-L1358 VanDerWaalsContact O-CD2 3.3Å; T1157-L1358 WeakPolarHBondContact O-CD2 3.31Å; F1160-L1358 HydrophobicContact CB-CD2 3.68Å; F1160-L1358 HydrophobicContact CB-CG 4.49Å; F1161-L1358 HydrophobicContact CB-CD1 3.94Å; F1161-L1358 HydrophobicContact CB-CD2 3.94Å; F1161-L1358 HydrophobicContact CD2-CD1 3.88Å; F1161-L1358 HydrophobicContact CG-CD1 4.34Å; L1229-L1358 HydrophobicContact CD1-CB 3.77Å; L1229-L1358 HydrophobicContact CD1-CD1 3.92Å; L1229-L1358 HydrophobicContact CD2-CB 3.81Å; L1229-L1358 HydrophobicContact CG-CB 4.4Å; G1355-L1358 WeakPolarHBondContact O-CB 3.34Å; G1355-L1358 PolarHBondContact O-N 3.18Å; C1356-L1358 PolarHBondContact O-N 3.05Å; L1358-W1360 PolarHBondContact O-N 2.91Å; L1358-L1361 PolarHBondContact O-N 2.91Å; L1358-S1362 WeakPolarHBondContact O-CB 3.45Å; L1358-S1362 PolarHBondContact O-N 2.76Å |
| 1359 | R | 79.7 | Confident | 73.8 | Confident | 68 Ų | 68 | 72.5 Ų | 72.5 | 26% | 0.257 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.8 | -28.5 | 178.5 | -151.2 | 66.4 | 171.2 | 161.8 | -1.2 | 112.3 | D1227 L1229 E1280 P1357 K1363 | D1227-R1359 IonicContact OD1-CZ 3.31Å; D1227-R1359 IonicContact OD1-NE 2.95Å; D1227-R1359 IonicContact OD1-NH2 2.85Å; D1227-R1359 PolarHBondContact OD1-NH2 3.11Å; D1227-R1359 IonicContact OD2-CZ 2.88Å; D1227-R1359 IonicContact OD2-NE 2.74Å; D1227-R1359 PolarHBondContact OD2-NE 2.86Å; D1227-R1359 IonicContact OD2-NH2 3.71Å; D1227-R1359 PolarHBondContact OD2-NH2 3.04Å; L1229-R1359 HydrophobicContact CD2-CB 3.62Å; L1229-R1359 HydrophobicContact CD2-CG 4.37Å; E1280-R1359 IonicContact OE2-NH1 2.67Å; E1280-R1359 PolarHBondContact OE2-NH1 2.97Å; P1357-R1359 VanDerWaalsContact C-N 3.34Å; P1357-R1359 PolarHBondContact O-N 2.72Å; R1359-K1363 WeakPolarHBondContact O-CG 3.4Å; R1359-K1363 PolarHBondContact O-N 3.26Å |
| 1360 | W | 79.7 | Confident | 70.5 | Confident | 144 Ų | 144 | 72.4 Ų | 72.4 | 55% | 0.545 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -85.8 | -41.4 | 179.3 | 179.4 | 92 | 0 | 0 | 0 | 111.5 | P1357 L1358 K1363 R1364 | P1357-W1360 WeakPolarHBondContact O-CB 3.46Å; P1357-W1360 PolarHBondContact O-N 2.98Å; L1358-W1360 PolarHBondContact O-N 2.91Å; W1360-K1363 PolarHBondContact O-N 2.93Å; W1360-R1364 VanDerWaalsContact CH2-CZ 3.4Å; W1360-R1364 VanDerWaalsContact CH2-NH1 3.3Å; W1360-R1364 VanDerWaalsContact CZ2-NE 3.3Å; W1360-R1364 PolarHBondContact O-N 3.26Å |
| 1361 | L | 78.7 | Confident | 67.3 | Low | 24 Ų | 24 | 77 Ų | 77 | 13% | 0.126 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 171.7 | -69.7 | 174 | 0 | 0 | 0 | 111.6 | T1157 F1160 P1357 L1358 K1363 R1364 G1365 | T1157-L1361 HydrophobicContact CG2-CB 4.43Å; F1160-L1361 HydrophobicContact CB-CD1 4.09Å; F1160-L1361 HydrophobicContact CD1-CD1 4.07Å; F1160-L1361 HydrophobicContact CD2-CD1 3.69Å; F1160-L1361 HydrophobicContact CE1-CD1 4.44Å; F1160-L1361 HydrophobicContact CE2-CD1 4.1Å; F1160-L1361 HydrophobicContact CG-CD1 3.67Å; F1160-L1361 HydrophobicContact CZ-CD1 4.45Å; P1357-L1361 HydrophobicContact CB-CD1 4.23Å; P1357-L1361 HydrophobicContact CB-CG 4.43Å; P1357-L1361 PolarHBondContact O-N 2.76Å; L1358-L1361 PolarHBondContact O-N 2.91Å; L1361-K1363 PolarHBondContact O-N 3.24Å; L1361-R1364 PolarHBondContact O-N 2.74Å; L1361-G1365 PolarHBondContact O-N 3.48Å |
| 1362 | S | 74.5 | Confident | 64.1 | Low | 23 Ų | 23 | 81.4 Ų | 81.4 | 16% | 0.161 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -54.7 | -49.6 | 173.9 | 169.9 | 0 | 0 | 0 | 0 | 112 | L1358 R1364 G1365 F1366 | L1358-S1362 WeakPolarHBondContact O-CB 3.45Å; L1358-S1362 PolarHBondContact O-N 2.76Å; S1362-R1364 PolarHBondContact O-N 3.1Å; S1362-G1365 PolarHBondContact O-N 2.84Å; S1362-F1366 PolarHBondContact O-N 2.75Å |
| 1363 | K | 72.1 | Confident | 60.8 | Low | 145 Ų | 145 | 85.7 Ų | 85.7 | 63% | 0.63 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.3 | -40.1 | 177.1 | -72.9 | 177.8 | -179.8 | -176.6 | 0 | 112.6 | R1359 W1360 L1361 F1366 S1367 | R1359-K1363 WeakPolarHBondContact O-CG 3.4Å; R1359-K1363 PolarHBondContact O-N 3.26Å; W1360-K1363 PolarHBondContact O-N 2.93Å; L1361-K1363 PolarHBondContact O-N 3.24Å; K1363-F1366 PolarHBondContact O-N 2.84Å; K1363-S1367 WeakPolarHBondContact O-CB 3.38Å; K1363-S1367 PolarHBondContact O-N 3.16Å |
| 1364 | R | 63.2 | Low | 57.5 | Low | 139 Ų | 139 | 92 Ų | 92 | 53% | 0.525 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.7 | -37.3 | 173.5 | -81.2 | -172.6 | 162.6 | -157.2 | -3.3 | 112.9 | W1360 L1361 S1362 F1366 S1367 N1368 | W1360-R1364 VanDerWaalsContact CH2-CZ 3.4Å; W1360-R1364 VanDerWaalsContact CH2-NH1 3.3Å; W1360-R1364 VanDerWaalsContact CZ2-NE 3.3Å; W1360-R1364 PolarHBondContact O-N 3.26Å; L1361-R1364 PolarHBondContact O-N 2.74Å; S1362-R1364 PolarHBondContact O-N 3.1Å; R1364-F1366 VanDerWaalsContact C-N 3.33Å; R1364-F1366 PolarHBondContact O-N 3.04Å; R1364-S1367 PolarHBondContact O-N 2.96Å; R1364-N1368 WeakPolarHBondContact O-CB 3.25Å; R1364-N1368 PolarHBondContact O-N 3.2Å |
| 1365 | G | 55.6 | Low | 54.3 | Low | 42 Ų | 42 | 95.2 Ų | 95.2 | 43% | 0.433 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.4 | -38.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1361 S1362 | L1361-G1365 PolarHBondContact O-N 3.48Å; S1362-G1365 PolarHBondContact O-N 2.84Å |
| 1366 | F | 46 | Very low | 51.5 | Low | 157 Ų | 157 | 100.9 Ų | 100.9 | 69% | 0.689 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -71 | -43.1 | 170.4 | -87.6 | -91.3 | 0 | 0 | 0 | 112.4 | S1362 K1363 R1364 N1368 K1369 | S1362-F1366 PolarHBondContact O-N 2.75Å; K1363-F1366 PolarHBondContact O-N 2.84Å; R1364-F1366 VanDerWaalsContact C-N 3.33Å; R1364-F1366 PolarHBondContact O-N 3.04Å; F1366-N1368 PolarHBondContact O-N 2.99Å; F1366-K1369 PolarHBondContact O-N 3.11Å |
| 1367 | S | 33.4 | Very low | 48.6 | Very low | 94 Ų | 94 | 102.4 Ų | 102.4 | 66% | 0.657 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.8 | -17.9 | -179.4 | -167.7 | 0 | 0 | 0 | 0 | 114.8 | K1363 R1364 | K1363-S1367 WeakPolarHBondContact O-CB 3.38Å; K1363-S1367 PolarHBondContact O-N 3.16Å; R1364-S1367 PolarHBondContact O-N 2.96Å |
| 1368 | N | 34.6 | Very low | 45.7 | Very low | 129 Ų | 129 | 109 Ų | 109 | 69% | 0.69 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 3.9 | -177.9 | -79.1 | 9.5 | 0 | 0 | 0 | 114.1 | R1364 F1366 P1370 | R1364-N1368 WeakPolarHBondContact O-CB 3.25Å; R1364-N1368 PolarHBondContact O-N 3.2Å; F1366-N1368 PolarHBondContact O-N 2.99Å; N1368-P1370 WeakPolarHBondContact O-CD 3.47Å |
| 1369 | K | 28.3 | Very low | 43 | Very low | 157 Ų | 157 | 116.9 Ų | 116.9 | 68% | 0.683 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -66 | 124.5 | 155.9 | -77 | -172.8 | 176.5 | -178.1 | 0 | 107.1 | F1366 | F1366-K1369 PolarHBondContact O-N 3.11Š|
| 1370 | P | 26 | Very low | 40.3 | Very low | 91 Ų | 91 | 118.7 Ų | 118.7 | 59% | 0.591 | 62% | 0.621 | S | S | * | * | trans | -59.6 | 148.3 | 162.5 | 28.9 | -33.5 | 0 | 0 | 0 | 107.9 | N1368 S1372 | N1368-P1370 WeakPolarHBondContact O-CD 3.47Å; P1370-S1372 PolarHBondContact O-N 3.35Å | ||
| 1371 | I | 28.8 | Very low | 37.8 | Very low | 153 Ų | 153 | 117.4 Ų | 117.4 | 79% | 0.785 | 63% | 0.631 | S | S | * | * | trans | -69.5 | 81.9 | 158.7 | -57.2 | 175 | 0 | 0 | 0 | 105.6 | S1373 | I1371-S1373 PolarHBondContact O-N 3.36Å; I1371-S1373 VanDerWaalsContact O-N 3.15Å | ||
| 1372 | S | 27.1 | Very low | 35.4 | Very low | 93 Ų | 93 | 122.9 Ų | 122.9 | 65% | 0.65 | 66% | 0.66 | S | S | * | * | trans | -63 | 108 | 154.1 | 53.5 | 0 | 0 | 0 | 0 | 105 | P1370 Y1374 | P1370-S1372 PolarHBondContact O-N 3.35Å; S1372-Y1374 PolarHBondContact O-N 3.05Å | ||
| 1373 | S | 25.2 | Very low | 33 | Very low | 96 Ų | 96 | 129.4 Ų | 129.4 | 67% | 0.671 | 69% | 0.688 | S | S | * | * | trans | -46.4 | 128.3 | 177.9 | 38.5 | 0 | 0 | 0 | 0 | 109.6 | I1371 N1375 | I1371-S1373 PolarHBondContact O-N 3.36Å; I1371-S1373 VanDerWaalsContact O-N 3.15Å; S1373-N1375 PolarHBondContact O-N 2.83Å | ||
| 1374 | Y | 24 | Very low | 30.8 | Very low | 229 Ų | 229 | 128.3 Ų | 128.3 | 90% | 0.898 | 69% | 0.693 | S | S | * | * | trans | -74.9 | 73.9 | 179.8 | -136.6 | -80.8 | 0 | 0 | 0 | 108.3 | S1372 P1376 | S1372-Y1374 PolarHBondContact O-N 3.05Å; Y1374-P1376 VanDerWaalsContact O-CD 3.27Å; Y1374-P1376 WeakPolarHBondContact O-CD 3.17Å; Y1374-P1376 VanDerWaalsContact O-N 3.17Å | ||
| 1375 | N | 23.1 | Very low | 28.9 | Very low | 109 Ų | 109 | 127.6 Ų | 127.6 | 58% | 0.583 | 70% | 0.7 | S | S | * | * | trans | -64.6 | 112.5 | -173.9 | -159 | 12.9 | 0 | 0 | 0 | 108 | S1373 T1377 | S1373-N1375 PolarHBondContact O-N 2.83Å; N1375-T1377 PolarHBondContact ND2-OG1 3.07Å; N1375-T1377 PolarHBondContact O-N 3.41Å; N1375-T1377 PolarHBondContact OD1-OG1 2.77Å; N1375-T1377 VanDerWaalsContact OD1-OG1 3.13Å | ||
| 1376 | P | 26.2 | Very low | 27.6 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 78% | 0.779 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 48.1 | -166.4 | 35.1 | -36.5 | 0 | 0 | 0 | 111.6 | Y1374 | Y1374-P1376 VanDerWaalsContact O-CD 3.27Å; Y1374-P1376 WeakPolarHBondContact O-CD 3.17Å; Y1374-P1376 VanDerWaalsContact O-N 3.17Å |
| 1377 | T | 25.2 | Very low | 26.4 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 58% | 0.577 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143 | -8.4 | -165.7 | 35.4 | 0 | 0 | 0 | 0 | 114 | N1375 | N1375-T1377 PolarHBondContact ND2-OG1 3.07Å; N1375-T1377 PolarHBondContact O-N 3.41Å; N1375-T1377 PolarHBondContact OD1-OG1 2.77Å; N1375-T1377 VanDerWaalsContact OD1-OG1 3.13Å |
| 1378 | E | 24.7 | Very low | 26.2 | Very low | 181 Ų | 181 | 133.3 Ų | 133.3 | 85% | 0.846 | 72% | 0.72 | S | S | * | * | trans | -111.5 | 67.5 | 169.9 | -72.6 | -163.3 | 129.8 | 0 | 0 | 112.4 | ||||
| 1379 | L | 26.6 | Very low | 25.5 | Very low | 167 Ų | 167 | 135.6 Ų | 135.6 | 87% | 0.874 | 72% | 0.72 | S | S | * | * | trans | -152.2 | 64.8 | 152.4 | -147.1 | 83.6 | 0 | 0 | 0 | 111.8 | P1381 | L1379-P1381 WeakPolarHBondContact O-CD 3.31Š| ||
| 1380 | V | 24.1 | Very low | 25.4 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 64% | 0.642 | 73% | 0.725 | S | S | * | * | trans | -111.5 | 98.2 | 168.6 | -176 | 0 | 0 | 0 | 0 | 108.5 | N1382 | V1380-N1382 VanDerWaalsContact CG1-OD1 3.24Å; V1380-N1382 WeakPolarHBondContact CG1-OD1 3.35Å; V1380-N1382 PolarHBondContact O-N 3.37Å | ||
| 1381 | P | 26.5 | Very low | 25.2 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 76% | 0.76 | 73% | 0.73 | S | S | * | * | trans | -74.3 | 81.2 | 167.4 | 31.7 | -32.7 | 0 | 0 | 0 | 108.7 | L1379 H1383 | L1379-P1381 WeakPolarHBondContact O-CD 3.31Å; P1381-H1383 PolarHBondContact O-N 3.27Å; P1381-H1383 VanDerWaalsContact O-N 3.1Å | ||
| 1382 | N | 27.1 | Very low | 24.9 | Very low | 139 Ų | 139 | 135.6 Ų | 135.6 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | trans | -62.8 | 113.4 | 171 | -86.3 | -20.5 | 0 | 0 | 0 | 109.1 | V1380 | V1380-N1382 VanDerWaalsContact CG1-OD1 3.24Å; V1380-N1382 WeakPolarHBondContact CG1-OD1 3.35Å; V1380-N1382 PolarHBondContact O-N 3.37Å | ||
| 1383 | H | 24.4 | Very low | 24.7 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | trans | -62.1 | 174.5 | 149.9 | -104.4 | -95 | 0 | 0 | 0 | 110 | P1381 | P1381-H1383 PolarHBondContact O-N 3.27Å; P1381-H1383 VanDerWaalsContact O-N 3.1Å | ||
| 1384 | V | 25.6 | Very low | 24.6 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 75% | 0.745 | 73% | 0.729 | S | S | * | * | trans | 90.3 | 114.5 | -164.8 | 179.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 1385 | D | 24.6 | Very low | 24.6 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 66% | 0.658 | 70% | 0.703 | S | S | * | * | cis | -156.7 | 174.6 | 5.9 | -123.4 | -9.4 | 0 | 0 | 0 | 117 | ||||
| 1386 | H | 26.9 | Very low | 24.7 | Very low | 142 Ų | 142 | 131.2 Ų | 131.2 | 66% | 0.657 | 69% | 0.691 | S | S | * | * | trans | 26.9 | 113 | 153.1 | -70.9 | -59.9 | 0 | 0 | 0 | 120.4 | ||||
| 1387 | T | 22.8 | Very low | 24.6 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 68% | 0.681 | 68% | 0.682 | S | S | * | * | 49.2 | 105.1 | 83.1 | 68.2 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1388 | N | 27.5 | Very low | 24.7 | Very low | 161 Ų | 161 | 129 Ų | 129 | 86% | 0.861 | 68% | 0.68 | S | S | * | * | -163 | 160.8 | 109.6 | -108.2 | -22.3 | 0 | 0 | 0 | 113.6 | |||||
| 1389 | Y | 21.7 | Very low | 24.7 | Very low | 176 Ų | 176 | 126.7 Ų | 126.7 | 69% | 0.69 | 68% | 0.678 | S | S | * | * | trans | -74.5 | 137.7 | 161.7 | -81.5 | -152.9 | 0 | 0 | 0 | 108.5 | H1122 | H1122-Y1389 AromaticContact CD2-CE2 3.91Å; H1122-Y1389 AromaticContact CD2-CZ 3.57Å; H1122-Y1389 PolarHBondContact CD2-OH 2.92Å; H1122-Y1389 AromaticContact CE1-CD1 3.87Å; H1122-Y1389 AromaticContact CE1-CE1 3.36Å; H1122-Y1389 WeakPolarHBondContact CE1-CE1 3.26Å; H1122-Y1389 AromaticContact CE1-CZ 3.61Å; H1122-Y1389 AromaticContact CG-CZ 3.98Å; H1122-Y1389 AromaticContact ND1-CE1 3.9Å; H1122-Y1389 AromaticContact ND1-CZ 3.99Å; H1122-Y1389 AromaticContact NE2-CD1 3.96Å; H1122-Y1389 AromaticContact NE2-CE1 3.53Å; H1122-Y1389 AromaticContact NE2-CE2 3.62Å; H1122-Y1389 AromaticContact NE2-CZ 3.33Å; H1122-Y1389 VanDerWaalsContact NE2-CZ 3.33Å | ||
| 1390 | G | 25.2 | Very low | 24.7 | Very low | 78 Ų | 78 | 126.8 Ų | 126.8 | 80% | 0.804 | 68% | 0.679 | S | S | * | * | trans | -154.7 | 121.9 | 174 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1391 | Y | 22.6 | Very low | 24.8 | Very low | 174 Ų | 174 | 126.2 Ų | 126.2 | 68% | 0.682 | 68% | 0.677 | S | S | * | * | trans | -86.8 | 167.5 | 177.4 | -115.7 | -88.8 | 0 | 0 | 0 | 110.4 | L1126 | L1126-Y1391 HydrophobicContact CD2-CD2 4.33Å; L1126-Y1391 HydrophobicContact CD2-CE2 3.6Å; L1126-Y1391 HydrophobicContact CG-CE2 3.8Å; L1126-Y1391 WeakPolarHBondContact CG-OH 3.44Å | ||
| 1392 | E | 22.1 | Very low | 24.7 | Very low | 150 Ų | 150 | 126.1 Ų | 126.1 | 70% | 0.701 | 68% | 0.675 | S | S | * | * | trans | 91.6 | 114.1 | 156.9 | -55 | -122.4 | 108 | 0 | 0 | 120.1 | ||||
| 1393 | Y | 23 | Very low | 24.6 | Very low | 203 Ų | 203 | 124.7 Ų | 124.7 | 80% | 0.796 | 67% | 0.671 | S | S | * | * | trans | 54.7 | 142.9 | 138.5 | -70.3 | -86.3 | 0 | 0 | 0 | 123.6 | ||||
| 1394 | N | 22.7 | Very low | 24.5 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 59% | 0.588 | 67% | 0.672 | S | S | * | * | trans | -62.5 | 161.2 | 166.9 | -57.4 | -56.3 | 0 | 0 | 0 | 112.2 | L1044 | L1044-N1394 HydrophobicContact CD2-CB 4.06Å; L1044-N1394 HydrophobicContact CG-CB 4.25Å | ||
| 1395 | T | 24.2 | Very low | 24.5 | Very low | 60 Ų | 60 | 127.4 Ų | 127.4 | 37% | 0.368 | 68% | 0.68 | S | S | . | * | 156.3 | 166.9 | 110 | 50.1 | 0 | 0 | 0 | 0 | 116.7 | L1044 Q1046 | L1044-T1395 CarbonylContact O-C 3.47Å; L1044-T1395 VanDerWaalsContact O-C 3.28Å; L1044-T1395 WeakPolarHBondContact O-CA 3.49Å; L1044-T1395 WeakPolarHBondContact O-CB 3.26Å; L1044-T1395 WeakPolarHBondContact O-CG2 3.21Å; Q1046-T1395 WeakPolarHBondContact CB-OG1 3.35Å; Q1046-T1395 HydrophobicContact CG-CG2 4.14Å; Q1046-T1395 VanDerWaalsContact CG-OG1 3.3Å; Q1046-T1395 WeakPolarHBondContact CG-OG1 3.48Å; Q1046-T1395 VanDerWaalsContact N-CB 3.33Å; Q1046-T1395 PolarHBondContact NE2-OG1 3.42Å; Q1046-T1395 CarbonylContact O-C 3.59Å; Q1046-T1395 VanDerWaalsContact O-C 3.27Å; Q1046-T1395 PolarHBondContact O-OG1 3.25Å | |||
| 1396 | I | 24.7 | Very low | 24.4 | Very low | 61 Ų | 61 | 130.3 Ų | 130.3 | 31% | 0.313 | 69% | 0.69 | S | S | . | * | B | Isolated β-bridge | trans | -73 | 144.4 | -172.1 | -42 | 163.3 | 0 | 0 | 0 | 115.6 | G1043 L1044 Q1046 K1047 | G1043-I1396 WeakPolarHBondContact O-CD1 3.21Å; L1044-I1396 HydrophobicContact CB-CG1 3.99Å; L1044-I1396 PolarHBondContact O-N 2.88Å; Q1046-I1396 CarbonylContact C-O 3.59Å; Q1046-I1396 WeakPolarHBondContact CA-O 3.37Å; Q1046-I1396 PolarHBondContact N-O 3.41Å; Q1046-I1396 VanDerWaalsContact N-O 3.12Å; Q1046-I1396 CarbonylContact O-C 3.48Å; K1047-I1396 PolarHBondContact N-O 2.93Å |
| 1397 | S | 24.9 | Very low | 24.3 | Very low | 85 Ų | 85 | 133.4 Ų | 133.4 | 59% | 0.594 | 70% | 0.697 | S | S | * | * | trans | 41.6 | 171.4 | 130.8 | -37.5 | 0 | 0 | 0 | 0 | 121.3 | K1047 | K1047-S1397 PolarHBondContact N-O 3.27Å; K1047-S1397 VanDerWaalsContact N-O 3.11Å; K1047-S1397 VanDerWaalsContact O-O 3.13Å | ||
| 1398 | P | 27.6 | Very low | 24.4 | Very low | 84 Ų | 84 | 138.3 Ų | 138.3 | 55% | 0.545 | 71% | 0.705 | S | S | . | * | -132.1 | 168.3 | 78.5 | 14.6 | 8.4 | 0 | 0 | 0 | 114.8 | I1048 | I1048-P1398 HydrophobicContact CD1-CG 3.51Å; I1048-P1398 HydrophobicContact CG1-CG 3.36Å | |||
| 1399 | T | 24.5 | Very low | 24.4 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 133.9 | 167.6 | 48.4 | 0 | 0 | 0 | 0 | 112 | ||
| 1400 | L | 25.2 | Very low | 24.6 | Very low | 170 Ų | 170 | 134.7 Ų | 134.7 | 89% | 0.89 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 132.4 | 157.4 | -168.5 | 73.7 | 0 | 0 | 0 | 108.7 | ||
| 1401 | P | 26.7 | Very low | 24.7 | Very low | 93 Ų | 93 | 136.9 Ų | 136.9 | 60% | 0.604 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 149.5 | -170.8 | 35.5 | -35.5 | 0 | 0 | 0 | 115.3 | ||
| 1402 | T | 23.7 | Very low | 24.8 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | trans | 64.8 | 115.3 | 143 | 53.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1403 | T | 25.3 | Very low | 25 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 68% | 0.675 | 68% | 0.684 | S | S | * | * | 65.4 | 145.1 | 128.4 | 64.9 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1404 | D | 22.8 | Very low | 25.1 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 75% | 0.749 | 69% | 0.688 | S | S | * | * | cis | -164.4 | 150.4 | -16.1 | -98.3 | -23.3 | 0 | 0 | 0 | 108.3 | ||||
| 1405 | H | 25.5 | Very low | 25.3 | Very low | 199 Ų | 199 | 132.7 Ų | 132.7 | 92% | 0.921 | 69% | 0.694 | S | S | * | * | trans | -155.3 | 100.7 | 163.8 | -104.1 | -43.6 | 0 | 0 | 0 | 112.7 | ||||
| 1406 | E | 23.4 | Very low | 25.4 | Very low | 183 Ų | 183 | 136.7 Ų | 136.7 | 86% | 0.855 | 71% | 0.713 | S | S | * | * | trans | -121.3 | 142.3 | 155.3 | -86.6 | -160.4 | 139 | 0 | 0 | 109.2 | ||||
| 1407 | Y | 24 | Very low | 25.4 | Very low | 207 Ų | 207 | 142 Ų | 142 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | -175.8 | 112.3 | 129.1 | -113.5 | -64.3 | 0 | 0 | 0 | 113.2 | I1409 | Y1407-I1409 HydrophobicContact CD1-CG1 4.1Š| |||
| 1408 | Y | 25.3 | Very low | 25.5 | Very low | 214 Ų | 214 | 144.3 Ų | 144.3 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | trans | -161.4 | 92.2 | 141.5 | -112.9 | -82.9 | 0 | 0 | 0 | 106 | ||||
| 1409 | I | 27.3 | Very low | 25.2 | Very low | 104 Ų | 104 | 144.4 Ų | 144.4 | 53% | 0.533 | 75% | 0.751 | S | S | . | * | 65.7 | 116.1 | 91.5 | -70.5 | 171.3 | 0 | 0 | 0 | 110.3 | Y1407 | Y1407-I1409 HydrophobicContact CD1-CG1 4.1Š| |||
| 1410 | Q | 26.4 | Very low | 25.2 | Very low | 158 Ų | 158 | 145.2 Ų | 145.2 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | cis | -161.5 | 165.2 | 9.1 | -99 | 173.8 | -72.6 | 0 | 0 | 108.2 | ||||
| 1411 | Q | 26.1 | Very low | 25.1 | Very low | 124 Ų | 124 | 145.7 Ų | 145.7 | 58% | 0.579 | 74% | 0.737 | S | S | * | * | cis | -177.4 | 140.2 | -11.6 | 162.1 | 179.6 | -42.9 | 0 | 0 | 110.9 | ||||
| 1412 | Q | 25.7 | Very low | 24.9 | Very low | 153 Ų | 153 | 149.1 Ų | 149.1 | 72% | 0.715 | 75% | 0.745 | S | S | * | * | trans | 66 | 149.2 | 163.3 | -73.8 | 163.1 | -21.5 | 0 | 0 | 118.1 | ||||
| 1413 | Q | 27.1 | Very low | 24.8 | Very low | 159 Ų | 159 | 148.3 Ų | 148.3 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | cis | -143.3 | 125.5 | 4.4 | -121.5 | 163.4 | -5.5 | 0 | 0 | 108.3 | ||||
| 1414 | L | 23.9 | Very low | 24.7 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 88% | 0.88 | 74% | 0.742 | S | S | * | * | 72 | 107.4 | 95.7 | -169 | 78.8 | 0 | 0 | 0 | 115.4 | |||||
| 1415 | G | 26.7 | Very low | 25 | Very low | 69 Ų | 69 | 148.6 Ų | 148.6 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | trans | 165 | 57.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1416 | N | 27.3 | Very low | 24.9 | Very low | 144 Ų | 144 | 144.9 Ų | 144.9 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | trans | 47.8 | 123.9 | 151.6 | -65.9 | -1 | 0 | 0 | 0 | 123.4 | ||||
| 1417 | M | 24.3 | Very low | 24.9 | Very low | 173 Ų | 173 | 140.5 Ų | 140.5 | 85% | 0.852 | 71% | 0.714 | S | S | * | * | trans | 68.8 | 146.4 | 139.6 | -66.8 | -161.2 | -48.8 | 0 | 0 | 120.7 | ||||
| 1418 | V | 26.8 | Very low | 24.9 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 80% | 0.8 | 70% | 0.701 | S | S | * | * | cis | -155.5 | 161 | -31.1 | 103.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1419 | S | 22 | Very low | 24.8 | Very low | 86 Ų | 86 | 129.6 Ų | 129.6 | 60% | 0.601 | 69% | 0.687 | S | S | * | * | trans | -77.8 | 143.7 | -177.5 | 52 | 0 | 0 | 0 | 0 | 114 | ||||
| 1420 | E | 24.1 | Very low | 24.6 | Very low | 149 Ų | 149 | 129.1 Ų | 129.1 | 70% | 0.696 | 69% | 0.689 | S | S | * | * | 71.9 | 141.3 | 128.4 | -169.5 | 171.6 | -118.2 | 0 | 0 | 119.4 | |||||
| 1421 | Y | 23.5 | Very low | 24.5 | Very low | 179 Ų | 179 | 126.1 Ų | 126.1 | 70% | 0.702 | 69% | 0.691 | S | S | * | * | 179.3 | 157.9 | 112.8 | -109.7 | -82.9 | 0 | 0 | 0 | 114.5 | |||||
| 1422 | Q | 21.4 | Very low | 24.5 | Very low | 166 Ų | 166 | 126.6 Ų | 126.6 | 78% | 0.776 | 70% | 0.703 | S | S | * | * | trans | -83.8 | 147.3 | 172 | -61.7 | 176.6 | -63.7 | 0 | 0 | 112.2 | ||||
| 1423 | S | 22.9 | Very low | 24.4 | Very low | 97 Ų | 97 | 126.7 Ų | 126.7 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | trans | 46.9 | 119.5 | 145.2 | 63 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1424 | I | 23 | Very low | 24.4 | Very low | 123 Ų | 123 | 123.9 Ų | 123.9 | 63% | 0.631 | 70% | 0.704 | S | S | * | * | -174.1 | 152.4 | 108.6 | -94.3 | 156.2 | 0 | 0 | 0 | 109.5 | N1040 | N1040-I1424 WeakPolarHBondContact ND2-CD1 3.41Š| |||
| 1425 | D | 28.5 | Very low | 24.5 | Very low | 134 Ų | 134 | 123.4 Ų | 123.4 | 72% | 0.717 | 70% | 0.7 | S | S | * | * | trans | -66.1 | 154.8 | -179.3 | -77.8 | -61.7 | 0 | 0 | 0 | 114.5 | ||||
| 1426 | V | 23.2 | Very low | 24.4 | Very low | 121 Ų | 121 | 125.1 Ų | 125.1 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | 172.2 | 127.8 | 122.2 | 151.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1427 | N | 23.3 | Very low | 24.2 | Very low | 91 Ų | 91 | 124.1 Ų | 124.1 | 49% | 0.487 | 70% | 0.701 | S | S | . | * | trans | 62.7 | 145.7 | 157.3 | -72.2 | -2.1 | 0 | 0 | 0 | 123.9 | N1489 | N1427-N1489 PolarHBondContact OD1-OD1 2.6Š| ||
| 1428 | C | 23.3 | Very low | 24.2 | Very low | 79 Ų | 79 | 121 Ų | 121 | 53% | 0.534 | 70% | 0.696 | S | S | . | * | trans | 70.5 | 103 | 153 | -64.7 | 0 | 0 | 0 | 0 | 122.7 | S1487 | C1428-S1487 VanDerWaalsContact CA-OG 3.25Å; C1428-S1487 WeakPolarHBondContact CA-OG 3.37Å; C1428-S1487 PolarHBondContact N-O 3.33Å; C1428-S1487 PolarHBondContact N-OG 3.2Å; C1428-S1487 PolarHBondContact SG-N 2.89Å; C1428-S1487 PolarHBondContact SG-O 2.85Å | ||
| 1429 | M | 23.3 | Very low | 24.1 | Very low | 112 Ų | 112 | 122 Ų | 122 | 55% | 0.552 | 69% | 0.685 | S | S | * | * | trans | -47.7 | 158.7 | 136.4 | -67 | 168.1 | 58.9 | 0 | 0 | 112.4 | S1486 S1487 | M1429-S1486 CarbonylContact O-C 3.58Å; M1429-S1487 PolarHBondContact N-OG 3.41Å | ||
| 1430 | T | 24.2 | Very low | 24.2 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 58% | 0.577 | 69% | 0.693 | S | S | * | * | cis | -142.4 | 146.5 | 4 | 44.1 | 0 | 0 | 0 | 0 | 110.7 | Q1485 | T1430-Q1485 PolarHBondContact OG1-O 3.28Š| ||
| 1431 | A | 23 | Very low | 24.3 | Very low | 95 Ų | 95 | 126.6 Ų | 126.6 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | trans | -158.7 | 111.9 | 141.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1432 | V | 26.1 | Very low | 24.5 | Very low | 135 Ų | 135 | 122.6 Ų | 122.6 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | trans | 40.6 | 98 | 144.9 | -171.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1433 | D | 25.5 | Very low | 24.9 | Very low | 154 Ų | 154 | 120 Ų | 120 | 82% | 0.824 | 68% | 0.683 | S | S | * | * | trans | -54 | 144.2 | 149 | -84.7 | -55.3 | 0 | 0 | 0 | 110.4 | ||||
| 1434 | P | 27.2 | Very low | 25.2 | Very low | 101 Ų | 101 | 121.3 Ų | 121.3 | 66% | 0.656 | 69% | 0.686 | S | S | * | * | -142.7 | 138.1 | 93.8 | 36.1 | -20.7 | 0 | 0 | 0 | 116 | |||||
| 1435 | I | 24.2 | Very low | 25.4 | Very low | 157 Ų | 157 | 121.2 Ų | 121.2 | 81% | 0.805 | 69% | 0.687 | S | S | * | * | 46.8 | 121.8 | 120.3 | -53.2 | 168.7 | 0 | 0 | 0 | 116 | |||||
| 1436 | S | 25.2 | Very low | 25.3 | Very low | 105 Ų | 105 | 120 Ų | 120 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | cis | -153.3 | 163.8 | 28.3 | 36.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1437 | T | 24.3 | Very low | 25.4 | Very low | 123 Ų | 123 | 122.1 Ų | 122.1 | 76% | 0.755 | 69% | 0.691 | S | S | * | * | trans | -30.6 | 146.2 | 158.5 | 53.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1438 | S | 23.1 | Very low | 25.6 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | 46.2 | 143.7 | 119.1 | -140.4 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 1439 | R | 24.3 | Very low | 25.9 | Very low | 153 Ų | 153 | 128.4 Ų | 128.4 | 58% | 0.577 | 72% | 0.717 | S | S | * | * | cis | -172.5 | 169.3 | 43.2 | -170.7 | -170.7 | -83 | -173.8 | -6.1 | 107.3 | F1696 | R1439-F1696 PolarHBondContact NH1-O 2.95Š| ||
| 1440 | R | 25 | Very low | 26.1 | Very low | 205 Ų | 205 | 128.6 Ų | 128.6 | 77% | 0.774 | 72% | 0.724 | S | S | * | * | trans | -145.6 | 126.4 | 147.1 | -147.7 | 155.2 | -175.8 | 163.9 | -3.5 | 114.4 | D1442 | R1440-D1442 WeakPolarHBondContact CG-OD1 3.45Å; R1440-D1442 IonicContact CZ-OD1 2.8Å; R1440-D1442 IonicContact CZ-OD2 3.87Å; R1440-D1442 IonicContact NE-OD1 2.82Å; R1440-D1442 PolarHBondContact NE-OD1 3.49Å; R1440-D1442 IonicContact NE-OD2 2.97Å; R1440-D1442 PolarHBondContact NE-OD2 3.38Å; R1440-D1442 IonicContact NH2-OD1 3.51Å; R1440-D1442 IonicContact NH2-OD2 3.86Å; R1440-D1442 PolarHBondContact NH2-OD2 2.98Å | ||
| 1441 | V | 26 | Very low | 26.4 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | trans | -136.3 | 124.9 | 162.2 | 174.2 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 1442 | D | 26.7 | Very low | 26.6 | Very low | 94 Ų | 94 | 134.3 Ų | 134.3 | 50% | 0.503 | 73% | 0.732 | S | S | . | * | trans | -141 | 149.3 | -170.8 | -90.9 | 39.9 | 0 | 0 | 0 | 107.9 | R1440 | R1440-D1442 WeakPolarHBondContact CG-OD1 3.45Å; R1440-D1442 IonicContact CZ-OD1 2.8Å; R1440-D1442 IonicContact CZ-OD2 3.87Å; R1440-D1442 IonicContact NE-OD1 2.82Å; R1440-D1442 PolarHBondContact NE-OD1 3.49Å; R1440-D1442 IonicContact NE-OD2 2.97Å; R1440-D1442 PolarHBondContact NE-OD2 3.38Å; R1440-D1442 IonicContact NH2-OD1 3.51Å; R1440-D1442 IonicContact NH2-OD2 3.86Å; R1440-D1442 PolarHBondContact NH2-OD2 2.98Å | ||
| 1443 | V | 31.3 | Very low | 27 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 68% | 0.679 | 72% | 0.724 | S | S | * | * | cis | -164.4 | -160.7 | -18.3 | 91.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1444 | V | 28.9 | Very low | 27 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | trans | 113.3 | 122.6 | 158.8 | -179 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1445 | D | 26.2 | Very low | 27.2 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 65% | 0.647 | 73% | 0.725 | S | S | * | * | cis | -171.5 | 154.7 | -24.2 | -102 | -31.9 | 0 | 0 | 0 | 109.9 | ||||
| 1446 | S | 26.5 | Very low | 27.3 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | trans | 179.3 | 119.4 | 130.8 | 62 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1447 | H | 26.2 | Very low | 27.7 | Very low | 164 Ų | 164 | 131.1 Ų | 131.1 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | trans | -21.1 | 150.5 | 165.8 | -51 | -77.3 | 0 | 0 | 0 | 119.8 | ||||
| 1448 | Y | 27.7 | Very low | 28.2 | Very low | 217 Ų | 217 | 130.5 Ų | 130.5 | 85% | 0.851 | 72% | 0.721 | S | S | * | * | -156.2 | 130.6 | 53.8 | -98 | -105.1 | 0 | 0 | 0 | 111 | |||||
| 1449 | A | 28.1 | Very low | 28.2 | Very low | 86 Ų | 86 | 130.2 Ų | 130.2 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | 53.9 | 136.7 | 95.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1450 | V | 29.2 | Very low | 28.5 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 70% | 0.703 | 74% | 0.735 | S | S | * | * | -164.8 | 134.6 | 56.4 | 164.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1451 | N | 29.2 | Very low | 28.5 | Very low | 138 Ų | 138 | 124.9 Ų | 124.9 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | trans | 60.8 | 156.3 | 154.1 | -65.7 | -1.4 | 0 | 0 | 0 | 123.8 | ||||
| 1452 | Q | 27.4 | Very low | 28.4 | Very low | 170 Ų | 170 | 126.5 Ų | 126.5 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | cis | -170.8 | 175.4 | -39.4 | -115 | -164 | -4.6 | 0 | 0 | 110.4 | ||||
| 1453 | P | 34.8 | Very low | 28.3 | Very low | 101 Ų | 101 | 128.8 Ų | 128.8 | 66% | 0.656 | 75% | 0.752 | S | S | * | * | trans | -136.2 | -145.9 | -131.2 | 45.6 | -24.6 | 0 | 0 | 0 | 116.9 | ||||
| 1454 | T | 26.3 | Very low | 28.1 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | 81.1 | 145.4 | 171.5 | 1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1455 | V | 29.7 | Very low | 28 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 75% | 0.745 | 76% | 0.759 | S | S | * | * | cis | -144.5 | 153.4 | 15.2 | -140.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 1456 | V | 28 | Very low | 28.1 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | cis | 85.2 | 133 | 23.7 | 154.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1457 | P | 33 | Very low | 28.3 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | cis | -136.8 | -129.5 | -17 | 43.6 | -20.3 | 0 | 0 | 0 | 113.8 | ||||
| 1458 | P | 33.7 | Very low | 28.2 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | trans | -132.5 | -172.1 | -139.5 | 41.2 | -16.9 | 0 | 0 | 0 | 119 | ||||
| 1459 | S | 25.1 | Very low | 28.1 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | 76.5 | 118.4 | 157.1 | 73.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1460 | T | 30 | Very low | 27.9 | Very low | 146 Ų | 146 | 129.2 Ų | 129.2 | 90% | 0.896 | 75% | 0.754 | S | S | * | * | -175.7 | 174 | 108.7 | 25.6 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1461 | S | 24.3 | Very low | 27.7 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | trans | -81.6 | 147.9 | -162.7 | 53.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1462 | L | 24.2 | Very low | 27.5 | Very low | 161 Ų | 161 | 130.9 Ų | 130.9 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | 56.3 | 105.3 | 142.5 | -78.7 | 158.8 | 0 | 0 | 0 | 119.9 | ||||
| 1463 | T | 25.4 | Very low | 27.4 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | trans | -144 | 146 | 135.5 | 43.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1464 | V | 25.4 | Very low | 27 | Very low | 128 Ų | 128 | 129 Ų | 129 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | -80.4 | 149.1 | 171.8 | 175.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1465 | I | 28.5 | Very low | 27.1 | Very low | 156 Ų | 156 | 128.8 Ų | 128.8 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | trans | 179 | 135.6 | 136.9 | -92.4 | 151 | 0 | 0 | 0 | 109 | ||||
| 1466 | D | 28.2 | Very low | 26.9 | Very low | 157 Ų | 157 | 129.1 Ų | 129.1 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | trans | -125.2 | 161.8 | 156.6 | -164.4 | -5.4 | 0 | 0 | 0 | 106.6 | ||||
| 1467 | A | 29 | Very low | 26.9 | Very low | 68 Ų | 68 | 130.6 Ų | 130.6 | 56% | 0.562 | 75% | 0.751 | S | S | * | * | trans | 64.4 | 152.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1468 | L | 26.1 | Very low | 26.7 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | cis | -161.5 | 152.8 | -4.5 | -114.9 | 166.2 | 0 | 0 | 0 | 110.3 | ||||
| 1469 | K | 23.6 | Very low | 26.1 | Very low | 209 Ų | 209 | 132.9 Ų | 132.9 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -93.5 | 105.8 | 132.8 | -96.1 | -173.9 | 177.3 | 176.6 | 0 | 105.6 | ||
| 1470 | S | 25.2 | Very low | 26.3 | Very low | 82 Ų | 82 | 133.4 Ų | 133.4 | 57% | 0.573 | 76% | 0.76 | S | S | * | * | S | Bend | cis | -151.5 | 173.4 | 20.4 | 55.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1471 | Q | 24.6 | Very low | 26 | Very low | 170 Ų | 170 | 131.9 Ų | 131.9 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | 76.1 | 92.3 | 161.8 | -71.3 | -177.1 | -9.9 | 0 | 0 | 119.6 | ||||
| 1472 | T | 24.4 | Very low | 26.1 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 73% | 0.73 | 76% | 0.757 | S | S | * | * | 67.2 | 126.6 | 123.7 | 51.2 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1473 | T | 25.6 | Very low | 26.4 | Very low | 117 Ų | 117 | 131.3 Ų | 131.3 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | trans | 75.1 | 93.1 | 139.2 | 50.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1474 | T | 27 | Very low | 26.7 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | 58.5 | 121.5 | 118.9 | 58.6 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1475 | T | 28.1 | Very low | 26.7 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 73% | 0.73 | 74% | 0.737 | S | S | * | * | trans | 58.7 | 141.5 | 133.3 | 61.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1476 | D | 26.3 | Very low | 26.5 | Very low | 130 Ų | 130 | 126 Ų | 126 | 70% | 0.695 | 72% | 0.719 | S | S | * | * | cis | -163.1 | 167.3 | 5.2 | -133.3 | -35.4 | 0 | 0 | 0 | 113.6 | ||||
| 1477 | Q | 27.1 | Very low | 26.6 | Very low | 153 Ų | 153 | 120 Ų | 120 | 72% | 0.715 | 69% | 0.689 | S | S | * | * | trans | 68.1 | 148.1 | 149 | -79.4 | -168.2 | 42.6 | 0 | 0 | 125.5 | ||||
| 1478 | L | 29.3 | Very low | 26.4 | Very low | 161 Ų | 161 | 123 Ų | 123 | 84% | 0.843 | 70% | 0.7 | S | S | * | * | trans | 78.9 | 110.2 | 154.5 | -74.1 | 160.9 | 0 | 0 | 0 | 120.2 | ||||
| 1479 | S | 21.7 | Very low | 26.5 | Very low | 113 Ų | 113 | 121.8 Ų | 121.8 | 79% | 0.79 | 69% | 0.694 | S | S | * | * | trans | -138.8 | 157.3 | 171.3 | 55.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1480 | P | 27.9 | Very low | 26.3 | Very low | 112 Ų | 112 | 116.1 Ų | 116.1 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | trans | -127 | 130.9 | 169.8 | 36 | -22.2 | 0 | 0 | 0 | 114.8 | ||||
| 1481 | S | 24.2 | Very low | 26.3 | Very low | 114 Ų | 114 | 119.7 Ų | 119.7 | 80% | 0.797 | 69% | 0.692 | S | S | * | * | trans | 72.6 | 153.7 | 146.3 | 85.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1482 | V | 26.4 | Very low | 26.5 | Very low | 120 Ų | 120 | 116.2 Ų | 116.2 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | cis | -166.4 | 139.5 | 7.7 | 88 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1483 | I | 31 | Very low | 26.5 | Very low | 130 Ų | 130 | 118 Ų | 118 | 67% | 0.667 | 69% | 0.687 | S | S | * | * | trans | 47.5 | 162.5 | 160.4 | -1.9 | 172.8 | 0 | 0 | 0 | 121.5 | ||||
| 1484 | P | 30.2 | Very low | 26.3 | Very low | 117 Ų | 117 | 117.7 Ų | 117.7 | 76% | 0.76 | 69% | 0.69 | S | S | * | * | -123.6 | 151.2 | 65.6 | 13.1 | 11.1 | 0 | 0 | 0 | 114.1 | |||||
| 1485 | Q | 25.8 | Very low | 26.2 | Very low | 139 Ų | 139 | 118 Ų | 118 | 65% | 0.65 | 70% | 0.697 | S | S | * | * | 73.2 | 142 | 58.9 | -84 | -158.1 | 5.2 | 0 | 0 | 115.9 | T1430 | T1430-Q1485 PolarHBondContact OG1-O 3.28Š| |||
| 1486 | S | 25.3 | Very low | 26 | Very low | 59 Ų | 59 | 115.4 Ų | 115.4 | 41% | 0.413 | 69% | 0.694 | S | S | . | * | cis | -126.7 | -119.6 | 4.5 | 57 | 0 | 0 | 0 | 0 | 113.2 | M1429 | M1429-S1486 CarbonylContact O-C 3.58Š| ||
| 1487 | S | 29.3 | Very low | 26.1 | Very low | 31 Ų | 31 | 118.7 Ų | 118.7 | 22% | 0.217 | 71% | 0.705 | C | S | . | * | cis | -145.7 | 141.3 | -8.9 | 68 | 0 | 0 | 0 | 0 | 111.6 | C1428 M1429 | C1428-S1487 VanDerWaalsContact CA-OG 3.25Å; C1428-S1487 WeakPolarHBondContact CA-OG 3.37Å; C1428-S1487 PolarHBondContact N-O 3.33Å; C1428-S1487 PolarHBondContact N-OG 3.2Å; C1428-S1487 PolarHBondContact SG-N 2.89Å; C1428-S1487 PolarHBondContact SG-O 2.85Å; M1429-S1487 PolarHBondContact N-OG 3.41Å | ||
| 1488 | V | 25.3 | Very low | 25.9 | Very low | 130 Ų | 130 | 119 Ų | 119 | 79% | 0.788 | 71% | 0.706 | S | S | * | * | trans | -139 | 138 | -164.8 | 159.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1489 | N | 27.2 | Very low | 25.7 | Very low | 117 Ų | 117 | 118.9 Ų | 118.9 | 63% | 0.626 | 70% | 0.703 | S | S | * | * | cis | -155.6 | -175.6 | 0.2 | -146.5 | 76.2 | 0 | 0 | 0 | 109.3 | N1427 | N1427-N1489 PolarHBondContact OD1-OD1 2.6Š| ||
| 1490 | C | 21 | Very low | 25.8 | Very low | 90 Ų | 90 | 118.8 Ų | 118.8 | 61% | 0.608 | 69% | 0.692 | S | S | * | * | trans | -93.8 | 164.9 | 152 | -136.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1491 | L | 24.7 | Very low | 25.5 | Very low | 157 Ų | 157 | 120.7 Ų | 120.7 | 82% | 0.822 | 69% | 0.689 | S | S | * | * | trans | -78 | 176.9 | -163.8 | -66.9 | 153.8 | 0 | 0 | 0 | 114.6 | ||||
| 1492 | P | 29.4 | Very low | 25.5 | Very low | 98 Ų | 98 | 117.1 Ų | 117.1 | 64% | 0.636 | 66% | 0.664 | S | S | * | * | -142.7 | -170.1 | -57 | 44.1 | -27.3 | 0 | 0 | 0 | 114.6 | |||||
| 1493 | I | 23 | Very low | 25.4 | Very low | 155 Ų | 155 | 115.6 Ų | 115.6 | 80% | 0.795 | 66% | 0.655 | S | S | * | * | trans | 82.3 | 111.1 | 157.2 | -64.5 | 166.7 | 0 | 0 | 0 | 120.3 | ||||
| 1494 | S | 22.6 | Very low | 25.2 | Very low | 111 Ų | 111 | 115.9 Ų | 115.9 | 78% | 0.776 | 65% | 0.654 | S | S | * | * | trans | 54.8 | 107.1 | 139.7 | -173.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1495 | S | 24.4 | Very low | 25.3 | Very low | 123 Ų | 123 | 114.4 Ų | 114.4 | 86% | 0.86 | 64% | 0.644 | S | S | * | * | -159.4 | 156.7 | 99.5 | 49.1 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1496 | G | 24.2 | Very low | 25.2 | Very low | 64 Ų | 64 | 111.8 Ų | 111.8 | 66% | 0.66 | 65% | 0.646 | S | S | * | * | trans | -121.6 | 173.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1497 | H | 27.4 | Very low | 25.1 | Very low | 199 Ų | 199 | 114.2 Ų | 114.2 | 92% | 0.921 | 66% | 0.663 | S | S | * | * | trans | -147.2 | 167.7 | 171.2 | -106.4 | 59.9 | 0 | 0 | 0 | 112.2 | ||||
| 1498 | H | 22.9 | Very low | 24.9 | Very low | 160 Ų | 160 | 118.8 Ų | 118.8 | 74% | 0.741 | 69% | 0.69 | S | S | * | * | trans | -78 | 152 | -165.5 | -78.2 | -127.4 | 0 | 0 | 0 | 116.5 | ||||
| 1499 | M | 26 | Very low | 24.8 | Very low | 157 Ų | 157 | 119.5 Ų | 119.5 | 77% | 0.773 | 69% | 0.689 | S | S | * | * | 155.9 | 168.6 | 121.5 | -83.4 | -165.2 | -64.6 | 0 | 0 | 111.4 | T994 | T994-M1499 CarbonylContact O-C 3.49Š| |||
| 1500 | I | 23.5 | Very low | 24.7 | Very low | 112 Ų | 112 | 118.2 Ų | 118.2 | 57% | 0.574 | 69% | 0.694 | S | S | * | * | -160 | 119.2 | -63.4 | -108.4 | 168.3 | 0 | 0 | 0 | 109.7 | T994 | T994-I1500 CarbonylContact O-C 3.19Å; T994-I1500 WeakPolarHBondContact O-CA 3.37Å; T994-I1500 PolarHBondContact O-N 2.99Å | |||
| 1501 | F | 22.2 | Very low | 24.8 | Very low | 151 Ų | 151 | 118.8 Ų | 118.8 | 66% | 0.662 | 71% | 0.706 | S | S | * | * | trans | 61.8 | 137.5 | 158.8 | -94.4 | -85.3 | 0 | 0 | 0 | 126.6 | P992 L993 T994 | P992-F1501 CarbonylContact C-O 2.9Å; L993-F1501 VanDerWaalsContact C-C 3.41Å; L993-F1501 CarbonylContact C-O 2.93Å; L993-F1501 VanDerWaalsContact CA-O 3.24Å; L993-F1501 WeakPolarHBondContact CA-O 3.47Å; L993-F1501 PolarHBondContact N-O 2.95Å; T994-F1501 VanDerWaalsContact N-C 3.25Å; T994-F1501 PolarHBondContact N-O 3.48Å; T994-F1501 PolarHBondContact O-N 2.97Å | ||
| 1502 | S | 23.9 | Very low | 24.8 | Very low | 39 Ų | 39 | 116.5 Ų | 116.5 | 27% | 0.273 | 70% | 0.703 | S | S | . | * | trans | 97.3 | 135.2 | 158 | -58.9 | 0 | 0 | 0 | 0 | 116.8 | L993 T994 | L993-S1502 CarbonylContact C-O 3.42Å; L993-S1502 WeakPolarHBondContact CA-O 3.21Å; L993-S1502 PolarHBondContact N-O 3.08Å; L993-S1502 VanDerWaalsContact N-O 3.09Å; T994-S1502 PolarHBondContact N-O 3.08Å | ||
| 1503 | T | 24.5 | Very low | 24.8 | Very low | 88 Ų | 88 | 115.3 Ų | 115.3 | 54% | 0.54 | 71% | 0.708 | S | S | . | * | cis | 68.4 | 128.6 | 43.8 | 71.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 1504 | E | 25.8 | Very low | 25.1 | Very low | 136 Ų | 136 | 114.4 Ų | 114.4 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | cis | -153.7 | -147.2 | -9.4 | -140.2 | -171.2 | -171.5 | 0 | 0 | 110.8 | ||||
| 1505 | P | 33.4 | Very low | 25.4 | Very low | 86 Ų | 86 | 115.2 Ų | 115.2 | 56% | 0.558 | 70% | 0.704 | S | S | * | * | -120.7 | -173.8 | -110.9 | 33 | -10.7 | 0 | 0 | 0 | 116.8 | N213 | N213-P1505 WeakPolarHBondContact OD1-CG 3.22Š| |||
| 1506 | A | 23.4 | Very low | 25.6 | Very low | 84 Ų | 84 | 115.4 Ų | 115.4 | 69% | 0.694 | 70% | 0.7 | S | S | * | * | trans | 114.4 | 140.2 | 139.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1507 | S | 23.3 | Very low | 25.8 | Very low | 110 Ų | 110 | 115.5 Ų | 115.5 | 77% | 0.769 | 70% | 0.701 | S | S | * | * | trans | 82.5 | 138.2 | 154.3 | 71.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1508 | T | 25.8 | Very low | 25.7 | Very low | 128 Ų | 128 | 113.7 Ų | 113.7 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | trans | 55.3 | 93.9 | 153.2 | 33.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1509 | L | 23 | Very low | 25.9 | Very low | 145 Ų | 145 | 112.8 Ų | 112.8 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | 33.1 | 122.3 | 105.9 | -132.8 | 84.6 | 0 | 0 | 0 | 119.7 | |||||
| 1510 | A | 23.7 | Very low | 26 | Very low | 89 Ų | 89 | 111.2 Ų | 111.2 | 74% | 0.736 | 69% | 0.692 | S | S | * | * | trans | 71.2 | 134.5 | 138.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1511 | A | 24.6 | Very low | 26.2 | Very low | 103 Ų | 103 | 111.9 Ų | 111.9 | 85% | 0.851 | 70% | 0.696 | S | S | * | * | trans | 50 | 85.9 | 147.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1512 | S | 23.8 | Very low | 26.5 | Very low | 108 Ų | 108 | 112.8 Ų | 112.8 | 76% | 0.755 | 70% | 0.7 | S | S | * | * | trans | -94.8 | 101 | 163.7 | -164.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1513 | G | 29.4 | Very low | 26.7 | Very low | 73 Ų | 73 | 116.7 Ų | 116.7 | 75% | 0.753 | 72% | 0.722 | S | S | * | * | trans | -120.1 | 75.4 | 146.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1514 | I | 28.4 | Very low | 26.7 | Very low | 136 Ų | 136 | 118.9 Ų | 118.9 | 70% | 0.697 | 73% | 0.73 | S | S | * | * | 51.9 | 115.1 | 99.8 | -43.9 | 164.7 | 0 | 0 | 0 | 109.5 | |||||
| 1515 | V | 29.4 | Very low | 26.7 | Very low | 129 Ų | 129 | 118.5 Ų | 118.5 | 78% | 0.782 | 73% | 0.732 | S | S | * | * | -149.4 | 158.2 | 64.6 | 173.2 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1516 | T | 28.1 | Very low | 26.4 | Very low | 127 Ų | 127 | 119.6 Ų | 119.6 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | trans | -47 | 162.2 | 174 | 52.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1517 | G | 28.8 | Very low | 26.4 | Very low | 66 Ų | 66 | 121.2 Ų | 121.2 | 68% | 0.68 | 74% | 0.739 | S | S | * | * | cis | 159.5 | -173.1 | -1.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1518 | L | 25 | Very low | 26.7 | Very low | 160 Ų | 160 | 122.7 Ų | 122.7 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | trans | 36.5 | 126.8 | 149.9 | -63.3 | 153.9 | 0 | 0 | 0 | 118.8 | ||||
| 1519 | L | 28.6 | Very low | 26.6 | Very low | 142 Ų | 142 | 124.3 Ų | 124.3 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | cis | -159.5 | 146.2 | 41 | -149 | 85.5 | 0 | 0 | 0 | 113.4 | ||||
| 1520 | D | 27.2 | Very low | 27 | Very low | 123 Ų | 123 | 122.3 Ų | 122.3 | 66% | 0.658 | 75% | 0.752 | S | S | * | * | trans | 42.6 | 121.2 | 140.7 | -78.1 | 26.8 | 0 | 0 | 0 | 126.7 | ||||
| 1521 | N | 26.9 | Very low | 27.1 | Very low | 126 Ų | 126 | 124.7 Ų | 124.7 | 67% | 0.674 | 76% | 0.758 | S | S | * | * | 92.5 | 123.3 | 121.2 | -86.6 | -56.6 | 0 | 0 | 0 | 124.7 | |||||
| 1522 | K | 29.1 | Very low | 27.2 | Very low | 171 Ų | 171 | 123 Ų | 123 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | trans | 87.7 | 110.4 | 135.1 | -79 | -178.2 | 178.5 | 178.9 | 0 | 123.6 | ||||
| 1523 | T | 27.6 | Very low | 27.4 | Very low | 120 Ų | 120 | 124.9 Ų | 124.9 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | 63 | 147.6 | 128.8 | 61.4 | 0 | 0 | 0 | 0 | 120 | |||||
| 1524 | L | 26.4 | Very low | 27.1 | Very low | 135 Ų | 135 | 127.5 Ų | 127.5 | 71% | 0.707 | 76% | 0.759 | S | S | * | * | cis | -158.1 | 165.8 | 2.7 | -146.4 | 73.4 | 0 | 0 | 0 | 109.5 | ||||
| 1525 | D | 24.3 | Very low | 27.1 | Very low | 127 Ų | 127 | 129 Ų | 129 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | trans | 28.8 | 148.8 | 139.3 | -67.9 | 0.3 | 0 | 0 | 0 | 122.6 | ||||
| 1526 | T | 27.1 | Very low | 27.1 | Very low | 110 Ų | 110 | 128 Ų | 128 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | cis | -165.2 | 156.1 | 7.1 | 15.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1527 | T | 24.2 | Very low | 27 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | trans | 33.9 | 136.5 | 149.4 | 60.5 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1528 | T | 28.6 | Very low | 27 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 87% | 0.865 | 77% | 0.772 | S | S | * | * | -171.2 | 165 | 104.3 | 21 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1529 | N | 24.7 | Very low | 26.9 | Very low | 162 Ų | 162 | 133 Ų | 133 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | trans | -105.8 | 158.3 | -173 | -66 | -33.5 | 0 | 0 | 0 | 113.6 | ||||
| 1530 | A | 30.2 | Very low | 26.7 | Very low | 103 Ų | 103 | 134 Ų | 134 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | trans | -142.8 | 155 | 154.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1531 | T | 25.8 | Very low | 26.7 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | trans | -146 | 148.6 | -160.6 | 53.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1532 | G | 28 | Very low | 26.5 | Very low | 67 Ų | 67 | 132.3 Ų | 132.3 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | trans | 137.8 | 150.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1533 | T | 28.1 | Very low | 26.3 | Very low | 148 Ų | 148 | 129.2 Ų | 129.2 | 91% | 0.908 | 77% | 0.773 | S | S | * | * | cis | -160 | 167.1 | -10.3 | -17.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1534 | T | 23 | Very low | 26.2 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | -108.9 | 145.1 | -167.8 | 51.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1535 | I | 27.4 | Very low | 26.1 | Very low | 167 Ų | 167 | 130.8 Ų | 130.8 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | -147.3 | 134.7 | 150.2 | -56 | -175.3 | 0 | 0 | 0 | 110.6 | ||||
| 1536 | P | 30.2 | Very low | 26.3 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | -121.4 | -161.8 | 175 | 43 | -31.6 | 0 | 0 | 0 | 114.8 | ||||
| 1537 | M | 25.1 | Very low | 26.4 | Very low | 182 Ų | 182 | 132.9 Ų | 132.9 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | 89.7 | 146.3 | 179.4 | -52.9 | -173.8 | 176.5 | 0 | 0 | 115.3 | ||||
| 1538 | T | 28.8 | Very low | 26.6 | Very low | 125 Ų | 125 | 131 Ų | 131 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | cis | -134.8 | 172.6 | 4.5 | 54.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1539 | D | 22.7 | Very low | 26.7 | Very low | 152 Ų | 152 | 127.4 Ų | 127.4 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -87.1 | -168.2 | 179.5 | -36.8 | -97 | 0 | 0 | 0 | 112.8 | ||||
| 1540 | E | 26 | Very low | 26.8 | Very low | 163 Ų | 163 | 127.5 Ų | 127.5 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | cis | -162.3 | 168.7 | 9.7 | -141 | -61.7 | 82.3 | 0 | 0 | 111.3 | ||||
| 1541 | S | 25.6 | Very low | 26.7 | Very low | 85 Ų | 85 | 131.3 Ų | 131.3 | 59% | 0.594 | 78% | 0.784 | S | S | * | * | trans | 88.1 | 104.4 | 147.2 | 72.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1542 | V | 23.9 | Very low | 26.8 | Very low | 128 Ų | 128 | 132 Ų | 132 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | 53.1 | 128.6 | 125.3 | 179.3 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1543 | S | 24.2 | Very low | 26.9 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | 102.7 | 98.9 | 147 | 67.8 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1544 | L | 24.9 | Very low | 27 | Very low | 166 Ų | 166 | 132.6 Ų | 132.6 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | 59.8 | 138.8 | 119.3 | -102.2 | 161.7 | 0 | 0 | 0 | 124.3 | |||||
| 1545 | V | 25.9 | Very low | 27.5 | Very low | 122 Ų | 122 | 131 Ų | 131 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | trans | 83.2 | 100.2 | 165.2 | -173.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1546 | N | 28 | Very low | 27.6 | Very low | 149 Ų | 149 | 129 Ų | 129 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | 77.4 | 141.8 | 88 | -138.4 | 9 | 0 | 0 | 0 | 113.1 | |||||
| 1547 | V | 28.7 | Very low | 27.5 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | cis | -150.8 | 150.2 | 25.9 | 177.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1548 | G | 29 | Very low | 27.6 | Very low | 76 Ų | 76 | 128 Ų | 128 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | trans | 121.5 | 135.7 | 145 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1549 | G | 30.4 | Very low | 27.7 | Very low | 66 Ų | 66 | 125.8 Ų | 125.8 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | cis | 176.8 | 175.9 | -5.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1550 | L | 25.9 | Very low | 27.9 | Very low | 165 Ų | 165 | 123.6 Ų | 123.6 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | 71.4 | 141.1 | -178.3 | -79.9 | 80.6 | 0 | 0 | 0 | 117.2 | ||||
| 1551 | K | 28.3 | Very low | 28 | Very low | 182 Ų | 182 | 121.6 Ų | 121.6 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | cis | -158 | 153.6 | -22.3 | -142.4 | 178.7 | -176.5 | -176 | 0 | 110.3 | ||||
| 1552 | L | 27.7 | Very low | 28.2 | Very low | 156 Ų | 156 | 124.1 Ų | 124.1 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | trans | -147 | 150.2 | 176 | -117.9 | 161.3 | 0 | 0 | 0 | 108.5 | ||||
| 1553 | P | 31.9 | Very low | 28.2 | Very low | 124 Ų | 124 | 124.3 Ų | 124.3 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | trans | -116.3 | 145.6 | 157.6 | 35.6 | -26.6 | 0 | 0 | 0 | 112 | ||||
| 1554 | A | 29.2 | Very low | 28.4 | Very low | 103 Ų | 103 | 123.2 Ų | 123.2 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | trans | -157.5 | 150 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1555 | A | 33.2 | Very low | 28.4 | Very low | 92 Ų | 92 | 119.4 Ų | 119.4 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | -171 | 147.2 | 171 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1556 | V | 29.4 | Very low | 28.3 | Very low | 126 Ų | 126 | 117 Ų | 117 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | cis | -140.2 | 115.2 | 1.3 | 177.7 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 1557 | I | 29.3 | Very low | 28.3 | Very low | 137 Ų | 137 | 117 Ų | 117 | 70% | 0.703 | 79% | 0.792 | S | S | * | * | 69 | 121.6 | 80.1 | -59.1 | 162 | 0 | 0 | 0 | 115 | |||||
| 1558 | P | 26.1 | Very low | 28.2 | Very low | 132 Ų | 132 | 117.1 Ų | 117.1 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | -114.6 | 159.5 | 126.1 | 35.5 | -33.8 | 0 | 0 | 0 | 112.2 | |||||
| 1559 | A | 30.9 | Very low | 28.4 | Very low | 78 Ų | 78 | 118.4 Ų | 118.4 | 65% | 0.645 | 79% | 0.788 | S | S | * | * | trans | -122.9 | 146.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1560 | S | 27.1 | Very low | 28.1 | Very low | 106 Ų | 106 | 121.2 Ų | 121.2 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | cis | 70.7 | 144.8 | 36.5 | 85.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1561 | V | 28.7 | Very low | 28.5 | Very low | 122 Ų | 122 | 118.7 Ų | 118.7 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | cis | -136.1 | 178.6 | 17.3 | -148.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1562 | V | 29 | Very low | 28.3 | Very low | 138 Ų | 138 | 115.7 Ų | 115.7 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | -165.5 | 151.4 | 75.5 | 165.7 | 0 | 0 | 0 | 0 | 110 | |||||
| 1563 | T | 25 | Very low | 28.1 | Very low | 132 Ų | 132 | 114 Ų | 114 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -149.5 | 153.4 | -171.8 | 51 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1564 | G | 27.4 | Very low | 27.7 | Very low | 82 Ų | 82 | 113.7 Ų | 113.7 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | 123.6 | 142.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1565 | G | 25.4 | Very low | 27.4 | Very low | 87 Ų | 87 | 116.7 Ų | 116.7 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | cis | 123.1 | 132.5 | 0.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1566 | G | 23.9 | Very low | 26.9 | Very low | 71 Ų | 71 | 117.9 Ų | 117.9 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | cis | 173.4 | 169.2 | -5.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1567 | T | 27.3 | Very low | 26.7 | Very low | 148 Ų | 148 | 119.6 Ų | 119.6 | 91% | 0.908 | 79% | 0.786 | S | S | * | * | trans | -163.8 | -178.5 | 171.1 | 12 | 0 | 0 | 0 | 0 | 113 | ||||
| 1568 | V | 26.9 | Very low | 26.8 | Very low | 136 Ų | 136 | 118.6 Ų | 118.6 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -152.7 | 157.1 | -151.1 | 173.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1569 | P | 34.4 | Very low | 26.8 | Very low | 104 Ų | 104 | 116.3 Ų | 116.3 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | cis | -132.5 | 174.5 | -17.4 | 39.6 | -22 | 0 | 0 | 0 | 116.9 | ||||
| 1570 | T | 24 | Very low | 26.6 | Very low | 125 Ų | 125 | 121.5 Ų | 121.5 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | trans | 28 | 163.2 | 141.3 | 63.3 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1571 | P | 34.3 | Very low | 26.5 | Very low | 112 Ų | 112 | 121.2 Ų | 121.2 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | cis | -139.9 | -164 | -10.1 | 24.8 | 2.6 | 0 | 0 | 0 | 115.5 | ||||
| 1572 | V | 23.5 | Very low | 26.4 | Very low | 119 Ų | 119 | 121.7 Ų | 121.7 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | trans | 101 | 108.7 | 151.7 | -169.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1573 | V | 23.6 | Very low | 26.2 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | 17.1 | 125 | 138.3 | -173.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1574 | S | 22.7 | Very low | 26.4 | Very low | 118 Ų | 118 | 122.7 Ų | 122.7 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | -171.7 | 156.3 | 120.4 | -81 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1575 | L | 22.9 | Very low | 26.4 | Very low | 166 Ų | 166 | 125 Ų | 125 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | trans | -95.5 | 138.4 | 174.3 | -60.5 | 85.1 | 0 | 0 | 0 | 111.3 | ||||
| 1576 | S | 23.5 | Very low | 26.4 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | -172 | 145.4 | 139.3 | 51.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1577 | L | 24.4 | Very low | 26.7 | Very low | 162 Ų | 162 | 131 Ų | 131 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | -100 | 177.4 | 155.4 | -75.3 | 82.8 | 0 | 0 | 0 | 107.7 | ||||
| 1578 | P | 32.8 | Very low | 26.7 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | cis | -135 | 168.8 | -6.2 | 21.2 | 4.2 | 0 | 0 | 0 | 116.7 | ||||
| 1579 | A | 25.3 | Very low | 27 | Very low | 83 Ų | 83 | 131.1 Ų | 131.1 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | trans | 48.7 | 122.4 | 140.5 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 1580 | Q | 27.2 | Very low | 26.7 | Very low | 188 Ų | 188 | 131.7 Ų | 131.7 | 88% | 0.879 | 75% | 0.749 | S | S | * | * | trans | 65.2 | 146.7 | 132.6 | -69.2 | -179.8 | -4.8 | 0 | 0 | 120.8 | ||||
| 1581 | S | 24.7 | Very low | 27.2 | Very low | 99 Ų | 99 | 131.4 Ų | 131.4 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | cis | -169.9 | 173.9 | -4.3 | 48.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1582 | V | 25.9 | Very low | 26.9 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | trans | 73.9 | 144.3 | 164.9 | -179.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 1583 | E | 25.6 | Very low | 27.1 | Very low | 169 Ų | 169 | 131.6 Ų | 131.6 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | cis | -175.5 | -167.8 | -28 | -159.7 | -176.3 | 165.4 | 0 | 0 | 107.4 | ||||
| 1584 | V | 28 | Very low | 27.3 | Very low | 122 Ų | 122 | 135 Ų | 135 | 74% | 0.739 | 77% | 0.766 | S | S | * | * | trans | 77 | 131.5 | 162.1 | 164.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1585 | L | 27.2 | Very low | 27.6 | Very low | 131 Ų | 131 | 135 Ų | 135 | 69% | 0.686 | 76% | 0.763 | S | S | * | * | cis | -159.8 | 161.3 | -5.4 | -108.3 | 175.3 | 0 | 0 | 0 | 110.5 | ||||
| 1586 | E | 27 | Very low | 27.7 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 76% | 0.757 | 76% | 0.758 | S | S | * | * | trans | 63 | 150.1 | 146.3 | -77.3 | -177.8 | 140.5 | 0 | 0 | 121.3 | ||||
| 1587 | V | 29.1 | Very low | 27.7 | Very low | 121 Ų | 121 | 133 Ų | 133 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | cis | -173.1 | 165.9 | -18.3 | 83 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1588 | K | 28 | Very low | 27.7 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 57% | 0.574 | 75% | 0.746 | S | S | * | * | cis | -151.7 | -160 | -4.4 | -146.3 | -160.3 | 161.3 | -141.9 | 0 | 105.9 | D1590 | K1588-D1590 WeakPolarHBondContact CE-OD2 3.23Å; K1588-D1590 IonicContact NZ-OD2 2.86Å; K1588-D1590 PolarHBondContact NZ-OD2 3.22Å | ||
| 1589 | E | 33.2 | Very low | 27.2 | Very low | 156 Ų | 156 | 136.2 Ų | 136.2 | 73% | 0.729 | 75% | 0.752 | S | S | * | * | cis | -122.3 | -176.6 | 9.5 | -78 | -97.1 | 37.7 | 0 | 0 | 110.9 | ||||
| 1590 | D | 28.2 | Very low | 27.2 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 62% | 0.615 | 76% | 0.76 | S | S | * | * | trans | -129.8 | -166.4 | -174.4 | -23.3 | -76.4 | 0 | 0 | 0 | 110.8 | K1588 | K1588-D1590 WeakPolarHBondContact CE-OD2 3.23Å; K1588-D1590 IonicContact NZ-OD2 2.86Å; K1588-D1590 PolarHBondContact NZ-OD2 3.22Å | ||
| 1591 | P | 33.5 | Very low | 27.2 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | cis | -133.3 | 162.1 | -3.7 | 36.1 | -17.4 | 0 | 0 | 0 | 117.3 | ||||
| 1592 | G | 29 | Very low | 27.3 | Very low | 75 Ų | 75 | 142.9 Ų | 142.9 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | 176.4 | 100 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1593 | L | 28.1 | Very low | 27.2 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | -87.4 | 130.8 | -173.5 | -76.5 | 73.4 | 0 | 0 | 0 | 111.2 | ||||
| 1594 | E | 27.3 | Very low | 27.4 | Very low | 192 Ų | 192 | 146 Ų | 146 | 90% | 0.897 | 76% | 0.763 | S | S | * | * | -176.8 | 126.2 | 127 | -106.9 | 170.6 | -159.8 | 0 | 0 | 111.9 | |||||
| 1595 | P | 29.1 | Very low | 27.4 | Very low | 117 Ų | 117 | 149.1 Ų | 149.1 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | -140.6 | 160.6 | 148.7 | 38 | -25.6 | 0 | 0 | 0 | 112.6 | ||||
| 1596 | V | 24.7 | Very low | 27.2 | Very low | 127 Ų | 127 | 150.7 Ų | 150.7 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | 147.2 | 110.7 | 143.6 | 160.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1597 | V | 24.6 | Very low | 27.3 | Very low | 112 Ų | 112 | 150.4 Ų | 150.4 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | trans | 75.2 | 163.5 | 136.1 | 170.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1598 | E | 22.8 | Very low | 27.2 | Very low | 158 Ų | 158 | 153 Ų | 153 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | trans | 6.9 | 128.2 | 167 | -75.6 | 133.1 | -138.5 | 0 | 0 | 119.8 | ||||
| 1599 | E | 23.2 | Very low | 27.2 | Very low | 189 Ų | 189 | 155.7 Ų | 155.7 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | 62.3 | 59.3 | 86.8 | -65.7 | -159.9 | 156.6 | 0 | 0 | 115.4 | |||||
| 1600 | E | 25.9 | Very low | 26.9 | Very low | 180 Ų | 180 | 154.9 Ų | 154.9 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | trans | -126.1 | 129.7 | 150.2 | -66 | -166 | 142.1 | 0 | 0 | 110.1 | ||||
| 1601 | E | 25.4 | Very low | 27 | Very low | 187 Ų | 187 | 155.8 Ų | 155.8 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -89.5 | 103.5 | 159 | -80.5 | -179.5 | 140.6 | 0 | 0 | 105.9 | D1603 | E1601-D1603 PolarHBondContact O-N 3.04Š| ||
| 1602 | E | 27.3 | Very low | 26.7 | Very low | 144 Ų | 144 | 155.9 Ų | 155.9 | 67% | 0.673 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -66 | 116.9 | 175.4 | -69.1 | 176.7 | 130.8 | 0 | 0 | 110.4 | Y1604 | E1602-Y1604 HydrophobicContact CB-CD2 4.31Å; E1602-Y1604 HydrophobicContact CB-CE2 4.42Å; E1602-Y1604 PolarHBondContact O-N 2.62Å |
| 1603 | D | 23.8 | Very low | 26.7 | Very low | 167 Ų | 167 | 158.9 Ų | 158.9 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 117.9 | 153.1 | -88.7 | -42.1 | 0 | 0 | 0 | 107.4 | E1601 | E1601-D1603 PolarHBondContact O-N 3.04Š|
| 1604 | Y | 31.1 | Very low | 26.7 | Very low | 200 Ų | 200 | 160.9 Ų | 160.9 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 136.5 | 177.8 | -107.7 | -93.6 | 0 | 0 | 0 | 111.6 | E1602 | E1602-Y1604 HydrophobicContact CB-CD2 4.31Å; E1602-Y1604 HydrophobicContact CB-CE2 4.42Å; E1602-Y1604 PolarHBondContact O-N 2.62Å |
| 1605 | E | 27.9 | Very low | 26.8 | Very low | 187 Ų | 187 | 157.6 Ų | 157.6 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 144.4 | 178.1 | -58.5 | 177.2 | 130.5 | 0 | 0 | 112.3 | ||
| 1606 | D | 23.2 | Very low | 26.6 | Very low | 163 Ų | 163 | 162.9 Ų | 162.9 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -99.3 | 112 | 159.8 | -96.7 | -38.2 | 0 | 0 | 0 | 107.7 | ||||
| 1607 | D | 27.4 | Very low | 26.8 | Very low | 156 Ų | 156 | 163.3 Ų | 163.3 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | 179.1 | 150.6 | 158.1 | -93.7 | -20.4 | 0 | 0 | 0 | 107.6 | ||||
| 1608 | E | 28.4 | Very low | 26.9 | Very low | 175 Ų | 175 | 164.8 Ų | 164.8 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | cis | -154.3 | 160.6 | -36.2 | -174.6 | 170.7 | -145.2 | 0 | 0 | 105.1 | ||||
| 1609 | Q | 28 | Very low | 27.2 | Very low | 189 Ų | 189 | 166.3 Ų | 166.3 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -137.2 | 114.8 | 165.9 | -83.9 | -163.3 | -16.2 | 0 | 0 | 112.9 | ||||
| 1610 | D | 26.2 | Very low | 27.3 | Very low | 140 Ų | 140 | 164 Ų | 164 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | -44.2 | 154 | 151.7 | -85.9 | -50.4 | 0 | 0 | 0 | 111.9 | ||||
| 1611 | V | 30.6 | Very low | 27.4 | Very low | 133 Ų | 133 | 163.3 Ų | 163.3 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | cis | -143.1 | 121.9 | 43.9 | 176 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1612 | D | 27.4 | Very low | 27.4 | Very low | 122 Ų | 122 | 160.1 Ų | 160.1 | 65% | 0.652 | 80% | 0.796 | S | S | * | * | trans | 34.9 | 154.2 | 131 | -153.3 | 16.3 | 0 | 0 | 0 | 123.6 | ||||
| 1613 | Q | 29.1 | Very low | 27.4 | Very low | 137 Ų | 137 | 156.7 Ų | 156.7 | 64% | 0.64 | 80% | 0.799 | S | S | * | * | trans | 72.4 | 133.2 | 168 | -73.5 | 169.9 | 39 | 0 | 0 | 118.5 | ||||
| 1614 | Y | 28.3 | Very low | 27.5 | Very low | 203 Ų | 203 | 154.8 Ų | 154.8 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | cis | -135.8 | 171.2 | 8.4 | -119.5 | -76.1 | 0 | 0 | 0 | 113.2 | ||||
| 1615 | T | 28.7 | Very low | 27.3 | Very low | 123 Ų | 123 | 152.5 Ų | 152.5 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -86.1 | 160.5 | -154.4 | -33.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 1616 | R | 25.4 | Very low | 27.2 | Very low | 228 Ų | 228 | 150.1 Ų | 150.1 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -49.8 | 163.3 | 164.7 | -71 | 176.4 | 172 | 155.7 | -2.4 | 113.3 | ||||
| 1617 | V | 28.6 | Very low | 27.4 | Very low | 137 Ų | 137 | 149.4 Ų | 149.4 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | -160.7 | 152.7 | 66.7 | 162.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1618 | N | 25.4 | Very low | 27.6 | Very low | 142 Ų | 142 | 147.6 Ų | 147.6 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | -89.4 | 156.4 | 178.1 | -49 | -36.4 | 0 | 0 | 0 | 113.1 | ||||
| 1619 | Q | 29.4 | Very low | 27.5 | Very low | 191 Ų | 191 | 146.6 Ų | 146.6 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | -170.4 | -173.8 | 117.3 | -104 | 179.1 | 14.4 | 0 | 0 | 113.4 | |||||
| 1620 | L | 26.5 | Very low | 27.8 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | -102.6 | 165.1 | -151.3 | -83.7 | 77.9 | 0 | 0 | 0 | 116.6 | ||||
| 1621 | E | 27.3 | Very low | 28 | Very low | 166 Ų | 166 | 139.8 Ų | 139.8 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | 70.7 | 99.5 | 145.6 | -79.7 | 172.4 | 178.7 | 0 | 0 | 122.2 | ||||
| 1622 | S | 25.3 | Very low | 28 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | 47.7 | 112 | 129.7 | 59.5 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1623 | G | 26.9 | Very low | 28 | Very low | 71 Ų | 71 | 140.5 Ų | 140.5 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | trans | 161.5 | 112.6 | 150.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1624 | T | 26.1 | Very low | 28.1 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | 40.9 | 103.9 | 142.2 | -45 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1625 | L | 26.5 | Very low | 28 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | 56.8 | 136.5 | 89.7 | -58.6 | 169.7 | 0 | 0 | 0 | 114.3 | |||||
| 1626 | L | 26.2 | Very low | 27.9 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 72% | 0.723 | 76% | 0.762 | S | S | * | * | cis | -168.8 | 172.6 | 15.6 | -129.2 | 177.3 | 0 | 0 | 0 | 112.6 | ||||
| 1627 | L | 28.9 | Very low | 28 | Very low | 147 Ų | 147 | 129.7 Ų | 129.7 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | 71.3 | 143.9 | 161.8 | -62.7 | 165.6 | 0 | 0 | 0 | 117.8 | ||||
| 1628 | T | 30.6 | Very low | 28.1 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | cis | -130 | 143.6 | -4.5 | 48.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1629 | E | 27.1 | Very low | 28.4 | Very low | 155 Ų | 155 | 128.7 Ų | 128.7 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | 55.6 | 138.5 | 71 | -76.5 | -108.2 | -151 | 0 | 0 | 113.6 | G1631 | E1629-G1631 PolarHBondContact OE2-N 3.01Š| |||
| 1630 | P | 34.1 | Very low | 28.2 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 83% | 0.831 | 74% | 0.74 | S | S | * | * | cis | -130.4 | 164.3 | 37.7 | 41.6 | -28 | 0 | 0 | 0 | 117.6 | ||||
| 1631 | G | 30.6 | Very low | 28.2 | Very low | 58 Ų | 58 | 123.2 Ų | 123.2 | 60% | 0.598 | 74% | 0.738 | S | S | * | * | trans | 158.6 | 49.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | E1629 | E1629-G1631 PolarHBondContact OE2-N 3.01Š| ||
| 1632 | T | 29.9 | Very low | 28.3 | Very low | 133 Ų | 133 | 123.6 Ų | 123.6 | 82% | 0.816 | 74% | 0.74 | S | S | * | * | trans | 13.8 | 147.6 | 140.5 | 55.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1633 | N | 26.9 | Very low | 28.5 | Very low | 137 Ų | 137 | 123.3 Ų | 123.3 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | cis | 178.9 | -172 | -12.8 | -158.9 | -5.1 | 0 | 0 | 0 | 108 | ||||
| 1634 | I | 32.2 | Very low | 28.6 | Very low | 128 Ų | 128 | 125 Ų | 125 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | trans | 79 | 107.6 | 148.4 | -70 | 159.8 | 0 | 0 | 0 | 120.4 | ||||
| 1635 | D | 26.2 | Very low | 28.7 | Very low | 135 Ų | 135 | 126.5 Ų | 126.5 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | 61.3 | 110.3 | 123.9 | -49.6 | -18.3 | 0 | 0 | 0 | 126.1 | |||||
| 1636 | S | 26 | Very low | 28.7 | Very low | 101 Ų | 101 | 124.6 Ų | 124.6 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | 67.2 | 150.6 | 114.1 | 85.9 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 1637 | S | 27.9 | Very low | 28.9 | Very low | 99 Ų | 99 | 124.6 Ų | 124.6 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | trans | 62.2 | 127.4 | 160.9 | 55.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1638 | I | 30.3 | Very low | 28.6 | Very low | 148 Ų | 148 | 123.9 Ų | 123.9 | 76% | 0.759 | 72% | 0.718 | S | S | * | * | 66.5 | 103 | 53.2 | -56.7 | 174 | 0 | 0 | 0 | 112.5 | T1640 | I1638-T1640 HydrophobicContact CG2-CG2 4.4Š| |||
| 1639 | P | 31.5 | Very low | 28.4 | Very low | 110 Ų | 110 | 124.1 Ų | 124.1 | 71% | 0.714 | 72% | 0.72 | S | S | * | * | -112.7 | 150.3 | 103.8 | -6 | 26.1 | 0 | 0 | 0 | 111 | |||||
| 1640 | T | 25.7 | Very low | 28.5 | Very low | 117 Ų | 117 | 123.4 Ų | 123.4 | 72% | 0.718 | 73% | 0.726 | S | S | * | * | 58.6 | 141.8 | 62.8 | 82 | 0 | 0 | 0 | 0 | 113.9 | I1638 | I1638-T1640 HydrophobicContact CG2-CG2 4.4Š| |||
| 1641 | S | 25.4 | Very low | 28.4 | Very low | 99 Ų | 99 | 120.4 Ų | 120.4 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | cis | -162.3 | -175.6 | 15.4 | 9.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1642 | E | 29.6 | Very low | 28.2 | Very low | 175 Ų | 175 | 125 Ų | 125 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | 82.2 | 102.8 | 165 | -48.1 | -163.4 | 162.4 | 0 | 0 | 115.7 | ||||
| 1643 | S | 29.1 | Very low | 28 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | 82 | 143.1 | 77.7 | 92.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1644 | S | 29.2 | Very low | 28.2 | Very low | 105 Ų | 105 | 123.1 Ų | 123.1 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | cis | -153.4 | -178.1 | -2 | 58 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1645 | F | 28.2 | Very low | 28.3 | Very low | 160 Ų | 160 | 122.7 Ų | 122.7 | 70% | 0.702 | 73% | 0.733 | S | S | * | * | cis | -152.2 | 156.5 | 6 | -157.5 | -128.3 | 0 | 0 | 0 | 106.8 | ||||
| 1646 | N | 26.6 | Very low | 28.4 | Very low | 111 Ų | 111 | 121.6 Ų | 121.6 | 59% | 0.594 | 73% | 0.731 | S | S | * | * | 19.3 | 147.1 | 96.6 | -75.7 | 0.5 | 0 | 0 | 0 | 116.3 | |||||
| 1647 | Q | 30.8 | Very low | 28.4 | Very low | 139 Ų | 139 | 124.5 Ų | 124.5 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | cis | -150.1 | 151.5 | 2.1 | -103.6 | 147.7 | -33.8 | 0 | 0 | 106.1 | ||||
| 1648 | D | 22.5 | Very low | 28.5 | Very low | 131 Ų | 131 | 123 Ų | 123 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | 73.3 | 134.5 | 60.8 | -152.5 | 4.4 | 0 | 0 | 0 | 114.4 | |||||
| 1649 | T | 27.1 | Very low | 28.4 | Very low | 124 Ų | 124 | 121.1 Ų | 121.1 | 76% | 0.761 | 74% | 0.739 | S | S | * | * | trans | 63.5 | 156.5 | -178.4 | 77.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1650 | T | 29.6 | Very low | 28.2 | Very low | 139 Ų | 139 | 120.1 Ų | 120.1 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | cis | -136.7 | 174.8 | 5 | 49.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1651 | G | 30.4 | Very low | 28.2 | Very low | 66 Ų | 66 | 117.8 Ų | 117.8 | 68% | 0.68 | 72% | 0.723 | S | S | * | * | trans | 131.4 | 55.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1652 | D | 27.5 | Very low | 28.3 | Very low | 153 Ų | 153 | 118 Ų | 118 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | 29.8 | 104.8 | 137.7 | -55.3 | -14 | 0 | 0 | 0 | 120.7 | ||||
| 1653 | S | 25.4 | Very low | 28.3 | Very low | 106 Ų | 106 | 115.1 Ų | 115.1 | 74% | 0.741 | 72% | 0.723 | S | S | * | * | 29 | 131 | 124.6 | 64.6 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1654 | V | 31.7 | Very low | 28.1 | Very low | 125 Ų | 125 | 117.2 Ų | 117.2 | 76% | 0.758 | 73% | 0.725 | S | S | * | * | -178.5 | 135.8 | 118.4 | 144 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1655 | P | 32.9 | Very low | 28 | Very low | 120 Ų | 120 | 122.9 Ų | 122.9 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | trans | -102.8 | 124.3 | 171.5 | 35 | -27.7 | 0 | 0 | 0 | 112.9 | ||||
| 1656 | T | 28.5 | Very low | 27.9 | Very low | 111 Ų | 111 | 122.2 Ų | 122.2 | 68% | 0.681 | 73% | 0.734 | S | S | * | * | trans | -161.3 | 133.1 | 162.1 | 18.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1657 | N | 27.5 | Very low | 28 | Very low | 162 Ų | 162 | 123.7 Ų | 123.7 | 87% | 0.866 | 74% | 0.74 | S | S | * | * | trans | 44.8 | 140.5 | 139.2 | -56.1 | -10.6 | 0 | 0 | 0 | 123.1 | ||||
| 1658 | G | 29.5 | Very low | 27.8 | Very low | 67 Ų | 67 | 123.6 Ų | 123.6 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | trans | 118.3 | 95.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1659 | S | 28.1 | Very low | 28.1 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | 73.7 | 112.1 | 67.1 | 76.5 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1660 | S | 26.7 | Very low | 28.1 | Very low | 89 Ų | 89 | 127 Ų | 127 | 62% | 0.622 | 75% | 0.749 | S | S | * | * | trans | 38.8 | 141.4 | 140.7 | 51.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1661 | S | 26.7 | Very low | 28 | Very low | 67 Ų | 67 | 128 Ų | 128 | 47% | 0.469 | 74% | 0.742 | S | S | . | * | cis | 178.9 | 158.7 | -10.1 | 45.4 | 0 | 0 | 0 | 0 | 111.8 | N1791 | S1661-N1791 PolarHBondContact OG-ND2 3.45Š| ||
| 1662 | S | 26.8 | Very low | 28 | Very low | 103 Ų | 103 | 131.3 Ų | 131.3 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | trans | 55.6 | 104.9 | 150.7 | 61 | 0 | 0 | 0 | 0 | 122 | ||||
| 1663 | S | 28.6 | Very low | 28.1 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | -154.5 | 128.9 | 129.8 | 57.7 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 1664 | L | 26.1 | Very low | 28.3 | Very low | 158 Ų | 158 | 129.2 Ų | 129.2 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | 89 | 125.3 | 66.9 | -119.1 | 171.9 | 0 | 0 | 0 | 114.1 | |||||
| 1665 | R | 27.7 | Very low | 28.1 | Very low | 225 Ų | 225 | 131.3 Ų | 131.3 | 85% | 0.849 | 74% | 0.737 | S | S | * | * | trans | 74.8 | 107.4 | 174.6 | -53.6 | -174.7 | 177.2 | -178.1 | -0.7 | 116.2 | ||||
| 1666 | N | 25.7 | Very low | 27.9 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 78% | 0.775 | 74% | 0.736 | S | S | * | * | 62.1 | 108.2 | 74.7 | -167.4 | 29 | 0 | 0 | 0 | 113.9 | |||||
| 1667 | I | 28.4 | Very low | 28 | Very low | 143 Ų | 143 | 137.1 Ų | 137.1 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | trans | 167 | 125.6 | 136.6 | -87.7 | 157.8 | 0 | 0 | 0 | 112.1 | ||||
| 1668 | N | 27.6 | Very low | 28.1 | Very low | 136 Ų | 136 | 140 Ų | 140 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | 45 | 116.6 | 150.3 | -61.3 | -6.9 | 0 | 0 | 0 | 123.7 | ||||
| 1669 | S | 27.2 | Very low | 27.9 | Very low | 105 Ų | 105 | 148 Ų | 148 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | 88.6 | 133.1 | 116.8 | -69.2 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 1670 | R | 27 | Very low | 27.7 | Very low | 221 Ų | 221 | 154.4 Ų | 154.4 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | trans | 77.3 | 122.4 | 143.8 | -80.2 | -179.5 | 169.8 | -179.6 | -2.4 | 120.6 | ||||
| 1671 | K | 28.8 | Very low | 27.6 | Very low | 162 Ų | 162 | 155.9 Ų | 155.9 | 70% | 0.704 | 76% | 0.763 | S | S | * | * | trans | 67.9 | 150.4 | 137.1 | -65.1 | 179.9 | 147.2 | -83.4 | 0 | 117.7 | ||||
| 1672 | D | 29.4 | Very low | 27.6 | Very low | 135 Ų | 135 | 158.1 Ų | 158.1 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | cis | -161 | 147.3 | -22.5 | -84.4 | -32.3 | 0 | 0 | 0 | 104.5 | ||||
| 1673 | G | 29.4 | Very low | 27.5 | Very low | 64 Ų | 64 | 161.8 Ų | 161.8 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | cis | 169.4 | -171 | -4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1674 | I | 29.3 | Very low | 27.4 | Very low | 150 Ų | 150 | 161.8 Ų | 161.8 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | 67.1 | 104.3 | 152.9 | -58.9 | 179.9 | 0 | 0 | 0 | 119.5 | ||||
| 1675 | K | 28.4 | Very low | 27.3 | Very low | 170 Ų | 170 | 162.9 Ų | 162.9 | 74% | 0.739 | 78% | 0.777 | S | S | * | * | trans | 66.5 | 155.3 | 141.1 | -62.4 | 174.1 | -168.9 | 179.2 | 0 | 118.4 | ||||
| 1676 | H | 29.4 | Very low | 27.3 | Very low | 162 Ų | 162 | 158.5 Ų | 158.5 | 75% | 0.75 | 77% | 0.767 | S | S | * | * | cis | -157.4 | 131.2 | 3 | -111.6 | -40.8 | 0 | 0 | 0 | 110.8 | ||||
| 1677 | K | 30.8 | Very low | 27.3 | Very low | 190 Ų | 190 | 153.8 Ų | 153.8 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | 165.6 | 125.3 | 122.8 | -94.7 | 171.1 | 179.7 | 170.1 | 0 | 115.6 | |||||
| 1678 | R | 28.1 | Very low | 27.1 | Very low | 223 Ų | 223 | 150.7 Ų | 150.7 | 84% | 0.842 | 73% | 0.726 | S | S | * | * | trans | 61.6 | 104.7 | 146.3 | -67.4 | -175 | 170.7 | -178.4 | -3.6 | 122 | ||||
| 1679 | R | 26.2 | Very low | 27 | Very low | 236 Ų | 236 | 148.1 Ų | 148.1 | 89% | 0.891 | 72% | 0.716 | S | S | * | * | 68.4 | 96.3 | 129.1 | -68.2 | -174.5 | 171.7 | 178.4 | -4.1 | 120.5 | |||||
| 1680 | R | 22.8 | Very low | 27.3 | Very low | 244 Ų | 244 | 146.9 Ų | 146.9 | 92% | 0.921 | 71% | 0.705 | S | S | * | * | -101.9 | 166.9 | 108.1 | -58.8 | 178.2 | 173.7 | 173.3 | -3 | 106.6 | |||||
| 1681 | T | 26.2 | Very low | 27.3 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 73% | 0.73 | 70% | 0.699 | S | S | * | * | cis | -142.1 | -172.1 | 16.8 | 47.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1682 | S | 25.7 | Very low | 27.2 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 80% | 0.797 | 70% | 0.703 | S | S | * | * | trans | 78.8 | 146.3 | 158.1 | -37.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 1683 | K | 24.9 | Very low | 27 | Very low | 181 Ų | 181 | 142.7 Ų | 142.7 | 79% | 0.787 | 70% | 0.704 | S | S | * | * | trans | -97.5 | 160.4 | -178.6 | -51.3 | 170 | -177.7 | 171.8 | 0 | 110.9 | ||||
| 1684 | P | 27.2 | Very low | 26.8 | Very low | 114 Ų | 114 | 147.6 Ų | 147.6 | 74% | 0.74 | 72% | 0.716 | S | S | * | * | trans | -100.5 | 155.7 | 132 | 34.6 | -29.9 | 0 | 0 | 0 | 110.4 | ||||
| 1685 | F | 23.6 | Very low | 26.7 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 79% | 0.794 | 71% | 0.71 | S | S | * | * | trans | -116 | 96.2 | 167.7 | -146.4 | -81.2 | 0 | 0 | 0 | 107.9 | ||||
| 1686 | E | 27.5 | Very low | 26.5 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 63% | 0.626 | 70% | 0.702 | S | S | * | * | trans | -144.4 | 147.4 | 179.9 | -88.1 | -151.2 | 124.5 | 0 | 0 | 109.4 | N603 | N603-E1686 PolarHBondContact ND2-OE1 3.31Š| ||
| 1687 | L | 25.3 | Very low | 26.3 | Very low | 46 Ų | 46 | 144.7 Ų | 144.7 | 24% | 0.241 | 71% | 0.707 | C | S | . | * | cis | -166.7 | 106.5 | -27.8 | -133.3 | 39.6 | 0 | 0 | 0 | 107.2 | N603 Q604 | N603-L1687 HydrophobicContact CB-CB 3.91Å; N603-L1687 HydrophobicContact CB-CD2 3.26Å; N603-L1687 HydrophobicContact CB-CG 3.89Å; N603-L1687 CarbonylContact O-C 3.58Å; N603-L1687 WeakPolarHBondContact O-CB 3.44Å; Q604-L1687 HydrophobicContact CB-CG 4.33Å; Q604-L1687 HydrophobicContact CG-CB 4.32Å; Q604-L1687 HydrophobicContact CG-CD1 3.33Å; Q604-L1687 HydrophobicContact CG-CD2 4.23Å; Q604-L1687 HydrophobicContact CG-CG 3.34Å | ||
| 1688 | N | 24.7 | Very low | 26 | Very low | 77 Ų | 77 | 141.5 Ų | 141.5 | 41% | 0.412 | 70% | 0.698 | S | S | . | * | trans | 55.3 | 154 | 168.9 | -74.7 | 25.7 | 0 | 0 | 0 | 122.1 | Q604 D605 | Q604-N1688 HydrophobicContact CB-CB 4.31Å; Q604-N1688 WeakPolarHBondContact CB-ND2 3.31Å; Q604-N1688 HydrophobicContact CG-CB 4.28Å; Q604-N1688 VanDerWaalsContact CG-CG 3.48Å; Q604-N1688 VanDerWaalsContact CG-OD1 3.29Å; Q604-N1688 WeakPolarHBondContact CG-OD1 3.47Å; Q604-N1688 PolarHBondContact NE2-OD1 2.9Å; Q604-N1688 PolarHBondContact O-ND2 3.14Å; D605-N1688 WeakPolarHBondContact OD1-CB 3.3Å; D605-N1688 PolarHBondContact OD1-ND2 3.19Å | ||
| 1689 | T | 25.8 | Very low | 25.8 | Very low | 83 Ų | 83 | 138.2 Ų | 138.2 | 51% | 0.509 | 70% | 0.697 | S | S | . | * | -148.1 | 166.9 | 58.8 | 27 | 0 | 0 | 0 | 0 | 116.1 | D605 K606 | D605-T1689 HydrophobicContact CB-CG2 4.19Å; D605-T1689 WeakPolarHBondContact OD1-CG2 3.46Å; K606-T1689 HydrophobicContact CB-CG2 3.99Å | |||
| 1690 | P | 33.2 | Very low | 25.8 | Very low | 79 Ų | 79 | 132 Ų | 132 | 51% | 0.513 | 69% | 0.685 | S | S | . | * | trans | -107.6 | -156 | -177.2 | 42.6 | -35 | 0 | 0 | 0 | 113.8 | D605 | D605-P1690 WeakPolarHBondContact OD1-CD 3.17Š| ||
| 1691 | I | 25.7 | Very low | 26 | Very low | 136 Ų | 136 | 126.2 Ų | 126.2 | 70% | 0.697 | 68% | 0.677 | S | S | * | * | trans | 72.3 | 132.9 | -178.3 | -31.4 | 176 | 0 | 0 | 0 | 111.3 | ||||
| 1692 | V | 28.3 | Very low | 26.1 | Very low | 130 Ų | 130 | 126 Ų | 126 | 79% | 0.788 | 67% | 0.672 | S | S | * | * | cis | -125.4 | 165.1 | 16.9 | -152.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1693 | E | 24 | Very low | 26.1 | Very low | 163 Ų | 163 | 126.6 Ų | 126.6 | 76% | 0.762 | 67% | 0.666 | S | S | * | * | trans | -59.7 | 160.6 | 153.9 | -60 | 169.3 | 119.2 | 0 | 0 | 109.6 | ||||
| 1694 | D | 25.8 | Very low | 26.3 | Very low | 167 Ų | 167 | 124 Ų | 124 | 89% | 0.893 | 67% | 0.665 | S | S | * | * | -162.4 | 179.1 | 82 | -147 | -22.8 | 0 | 0 | 0 | 112.9 | |||||
| 1695 | K | 26.4 | Very low | 26.4 | Very low | 150 Ų | 150 | 125 Ų | 125 | 65% | 0.652 | 66% | 0.664 | S | S | * | * | trans | -129.4 | 119.9 | -163.1 | -175.3 | 178.7 | 178.9 | -177.9 | 0 | 112.9 | ||||
| 1696 | F | 24.2 | Very low | 26.7 | Very low | 131 Ų | 131 | 121.7 Ų | 121.7 | 58% | 0.575 | 66% | 0.658 | S | S | * | * | trans | 71.6 | 93.7 | 159.9 | -107.7 | -88.7 | 0 | 0 | 0 | 118.2 | R1439 | R1439-F1696 PolarHBondContact NH1-O 2.95Š| ||
| 1697 | T | 25 | Very low | 26.7 | Very low | 140 Ų | 140 | 121.5 Ų | 121.5 | 86% | 0.859 | 66% | 0.662 | S | S | * | * | trans | -129.7 | 142.7 | 132.9 | -28.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1698 | I | 25.7 | Very low | 26.8 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 63% | 0.631 | 69% | 0.688 | S | S | * | * | trans | -90.2 | 142.5 | 164 | -69 | 168.1 | 0 | 0 | 0 | 106 | V1700 | I1698-V1700 HydrophobicContact CG2-CG2 3.69Š| ||
| 1699 | D | 24.2 | Very low | 26.9 | Very low | 155 Ų | 155 | 129.9 Ų | 129.9 | 83% | 0.829 | 70% | 0.701 | S | S | * | * | trans | -125.3 | 140.3 | 155.8 | -151.5 | -12 | 0 | 0 | 0 | 109.1 | ||||
| 1700 | V | 25 | Very low | 26.9 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 63% | 0.63 | 71% | 0.713 | S | S | * | * | trans | -137.3 | 113.6 | -177 | 168.9 | 0 | 0 | 0 | 0 | 108.5 | I1698 | I1698-V1700 HydrophobicContact CG2-CG2 3.69Š| ||
| 1701 | T | 27.3 | Very low | 26.7 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 76% | 0.761 | 72% | 0.722 | S | S | * | * | trans | -133.5 | 115.5 | 153 | 46.3 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1702 | N | 29.4 | Very low | 26.8 | Very low | 114 Ų | 114 | 134 Ų | 134 | 61% | 0.61 | 73% | 0.726 | S | S | * | * | 69.8 | 132.7 | 79.3 | -69.7 | 47.2 | 0 | 0 | 0 | 111 | |||||
| 1703 | D | 24.8 | Very low | 26.8 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 68% | 0.679 | 72% | 0.723 | S | S | * | * | cis | -161.5 | -166 | -1.5 | -99.8 | -31.9 | 0 | 0 | 0 | 108.1 | ||||
| 1704 | V | 30.1 | Very low | 27.1 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | trans | 80.3 | 125.6 | 155.8 | -174.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1705 | N | 29 | Very low | 27.2 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | cis | -175.2 | 173 | -14.8 | -113.7 | 1.7 | 0 | 0 | 0 | 110 | ||||
| 1706 | V | 30.2 | Very low | 27.3 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 67% | 0.673 | 72% | 0.72 | S | S | * | * | trans | 39 | 141.5 | 131.8 | 176.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1707 | D | 27.5 | Very low | 28 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | cis | -174.3 | 175.2 | -21 | -91.7 | -33 | 0 | 0 | 0 | 107.6 | ||||
| 1708 | E | 27.7 | Very low | 28.3 | Very low | 171 Ų | 171 | 132.5 Ų | 132.5 | 80% | 0.799 | 72% | 0.721 | S | S | * | * | trans | 28.7 | 128.3 | 145.4 | -64.2 | -172.5 | 155.2 | 0 | 0 | 124 | ||||
| 1709 | D | 26.3 | Very low | 28.6 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 69% | 0.69 | 72% | 0.724 | S | S | * | * | 74.1 | 103.9 | 124.9 | -72.4 | 17.8 | 0 | 0 | 0 | 126.9 | |||||
| 1710 | T | 26 | Very low | 28.8 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | 83.1 | 163 | 120.7 | 68.6 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 1711 | V | 28.5 | Very low | 29 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 70% | 0.703 | 73% | 0.728 | S | S | * | * | trans | 84.5 | 80.1 | 161.6 | -162.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 1712 | N | 26.9 | Very low | 28.9 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | 65.2 | 154.7 | 125.9 | -69.7 | -36.5 | 0 | 0 | 0 | 123.9 | |||||
| 1713 | V | 29.6 | Very low | 28.7 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | trans | 69.6 | 111.9 | 164.9 | -159 | 0 | 0 | 0 | 0 | 114 | ||||
| 1714 | Q | 29.2 | Very low | 28.7 | Very low | 145 Ų | 145 | 130.6 Ų | 130.6 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | cis | -162.2 | 177.2 | 9.3 | -126.4 | 176.1 | 104.3 | 0 | 0 | 107.6 | ||||
| 1715 | R | 29.1 | Very low | 28.4 | Very low | 206 Ų | 206 | 131.8 Ų | 131.8 | 78% | 0.777 | 73% | 0.73 | S | S | * | * | cis | -153.1 | 154.7 | 7 | 171.1 | 175.3 | -73 | -166.6 | -1.7 | 109.6 | ||||
| 1716 | N | 27.5 | Very low | 28.3 | Very low | 147 Ų | 147 | 133 Ų | 133 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | trans | -91 | 170.3 | 175.9 | -81.9 | -17.4 | 0 | 0 | 0 | 113.4 | ||||
| 1717 | P | 39.9 | Very low | 28.1 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 71% | 0.708 | 74% | 0.735 | S | S | * | * | cis | -141.4 | -172.4 | -44 | 39.9 | -22.3 | 0 | 0 | 0 | 112.3 | ||||
| 1718 | V | 31.5 | Very low | 27.9 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 75% | 0.745 | 74% | 0.742 | S | S | * | * | 168.2 | 118.9 | 124.7 | 155.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1719 | T | 30.5 | Very low | 27.9 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | trans | 43.9 | 112 | 164.4 | 56.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1720 | T | 29.7 | Very low | 28 | Very low | 122 Ų | 122 | 129.9 Ų | 129.9 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | 72.8 | 136 | 58.2 | 65.2 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1721 | T | 28.2 | Very low | 28.1 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 80% | 0.798 | 75% | 0.745 | S | S | * | * | cis | -162.2 | 168.4 | -23.9 | -43.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1722 | T | 24.8 | Very low | 28.1 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | trans | -95.1 | 169.4 | 175.8 | -35.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1723 | T | 25.8 | Very low | 28.2 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | trans | 84.4 | 118.5 | 145.4 | 18.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 1724 | T | 24.4 | Very low | 28.2 | Very low | 107 Ų | 107 | 125.2 Ų | 125.2 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | 49.8 | 124.6 | 130 | 53.6 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 1725 | I | 25.1 | Very low | 28.2 | Very low | 152 Ų | 152 | 124.3 Ų | 124.3 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | 48 | 125.4 | 127.9 | -32.4 | 156.3 | 0 | 0 | 0 | 120.1 | |||||
| 1726 | I | 26.4 | Very low | 28.2 | Very low | 159 Ų | 159 | 119.9 Ų | 119.9 | 82% | 0.815 | 74% | 0.742 | S | S | * | * | 173 | 164.4 | 119.8 | -87.8 | 176.1 | 0 | 0 | 0 | 111.8 | |||||
| 1727 | T | 25.2 | Very low | 28.3 | Very low | 110 Ų | 110 | 118.9 Ų | 118.9 | 68% | 0.675 | 74% | 0.741 | S | S | * | * | trans | -70.3 | 154.3 | -159.7 | 47 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1728 | T | 24.4 | Very low | 27.7 | Very low | 137 Ų | 137 | 119.1 Ų | 119.1 | 84% | 0.84 | 75% | 0.746 | S | S | * | * | trans | 60 | 136.9 | 148.3 | 52 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1729 | A | 28 | Very low | 27.7 | Very low | 96 Ų | 96 | 116.2 Ų | 116.2 | 79% | 0.793 | 74% | 0.741 | S | S | * | * | cis | -155.1 | 173.8 | 29.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1730 | T | 27.2 | Very low | 27.7 | Very low | 134 Ų | 134 | 118.1 Ų | 118.1 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | -69.9 | 153.3 | 163.5 | 43.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1731 | S | 28.7 | Very low | 27.6 | Very low | 98 Ų | 98 | 115.4 Ų | 115.4 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | cis | -167.9 | 176.1 | -0.8 | 48.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 1732 | S | 28.8 | Very low | 27.8 | Very low | 92 Ų | 92 | 115.7 Ų | 115.7 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | trans | 58.4 | 103.2 | 152.7 | 48.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1733 | T | 28.9 | Very low | 28.1 | Very low | 137 Ų | 137 | 115.9 Ų | 115.9 | 84% | 0.84 | 75% | 0.752 | S | S | * | * | 59.8 | 132 | 84.9 | 62.3 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1734 | A | 29.4 | Very low | 28.4 | Very low | 78 Ų | 78 | 117.2 Ų | 117.2 | 65% | 0.645 | 76% | 0.755 | S | S | * | * | cis | -171.3 | 163.2 | -9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1735 | T | 28.6 | Very low | 28.8 | Very low | 127 Ų | 127 | 116.4 Ų | 116.4 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | trans | 60.3 | 143.1 | 155.8 | 50.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1736 | T | 29.7 | Very low | 29.4 | Very low | 112 Ų | 112 | 114.6 Ų | 114.6 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | cis | -166.2 | 148.8 | 4.8 | 6.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1737 | T | 29.6 | Very low | 29.7 | Very low | 127 Ų | 127 | 113 Ų | 113 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | trans | 51.5 | 149.4 | 148.4 | 54.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1738 | S | 27.7 | Very low | 30.4 | Very low | 114 Ų | 114 | 112.9 Ų | 112.9 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | cis | -179.1 | 160.4 | -11.7 | 50.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1739 | G | 30.8 | Very low | 30.7 | Very low | 62 Ų | 62 | 112.3 Ų | 112.3 | 64% | 0.639 | 75% | 0.745 | S | S | * | * | trans | 120.9 | 117.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1740 | T | 29.7 | Very low | 30.6 | Very low | 153 Ų | 153 | 112.6 Ų | 112.6 | 94% | 0.939 | 74% | 0.741 | S | S | * | * | cis | 92.2 | 122.5 | 33.2 | 68.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1741 | G | 29.1 | Very low | 30.7 | Very low | 66 Ų | 66 | 112.1 Ų | 112.1 | 68% | 0.68 | 74% | 0.738 | S | S | * | * | trans | 151.4 | 156.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1742 | T | 30.8 | Very low | 30.7 | Very low | 135 Ų | 135 | 113.5 Ų | 113.5 | 83% | 0.828 | 74% | 0.738 | S | S | * | * | cis | -169.5 | 173.5 | -13.1 | 28.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1743 | T | 31.4 | Very low | 30.7 | Very low | 124 Ų | 124 | 116.7 Ų | 116.7 | 76% | 0.761 | 74% | 0.743 | S | S | * | * | trans | 159.8 | 152 | 138.8 | 38.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1744 | N | 32.4 | Very low | 30.9 | Very low | 142 Ų | 142 | 116.6 Ų | 116.6 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | cis | -145.3 | 170.9 | 9.2 | -102.8 | -35.5 | 0 | 0 | 0 | 107.6 | ||||
| 1745 | S | 33.4 | Very low | 31.1 | Very low | 89 Ų | 89 | 118.7 Ų | 118.7 | 62% | 0.622 | 74% | 0.737 | S | S | * | * | cis | -175.7 | 147.1 | -10.1 | 49.2 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 1746 | T | 36.2 | Very low | 31.2 | Very low | 114 Ų | 114 | 119.1 Ų | 119.1 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | 175.9 | 121.9 | 69.3 | 34.2 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 1747 | T | 33.7 | Very low | 31.2 | Very low | 125 Ų | 125 | 121.1 Ų | 121.1 | 77% | 0.767 | 74% | 0.741 | S | S | * | * | 55.2 | 142.9 | 93.4 | 62.1 | 0 | 0 | 0 | 0 | 118 | |||||
| 1748 | P | 39.4 | Very low | 31.4 | Very low | 108 Ų | 108 | 118.6 Ų | 118.6 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | cis | -145.1 | -167.8 | -21.9 | 39.7 | -18.6 | 0 | 0 | 0 | 116.5 | ||||
| 1749 | T | 30.3 | Very low | 31.6 | Very low | 125 Ų | 125 | 119.9 Ų | 119.9 | 77% | 0.767 | 73% | 0.731 | S | S | * | * | trans | 90.4 | 109.8 | 157.2 | 49.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1750 | S | 27 | Very low | 31.6 | Very low | 103 Ų | 103 | 124 Ų | 124 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | trans | 67.5 | 123.8 | 138.2 | 57.7 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 1751 | T | 28.3 | Very low | 31.5 | Very low | 124 Ų | 124 | 122 Ų | 122 | 76% | 0.761 | 72% | 0.721 | S | S | * | * | trans | 73.6 | 126.4 | 142.2 | 48 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1752 | N | 29.6 | Very low | 31.7 | Very low | 126 Ų | 126 | 126.7 Ų | 126.7 | 67% | 0.674 | 73% | 0.725 | S | S | * | * | trans | 69.6 | 124.7 | 148.2 | -70.9 | 44.6 | 0 | 0 | 0 | 122.6 | ||||
| 1753 | E | 29.8 | Very low | 31.7 | Very low | 160 Ų | 160 | 125.1 Ų | 125.1 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | trans | 63.6 | 124.5 | 130.4 | -63.9 | 166.5 | 140 | 0 | 0 | 121.9 | ||||
| 1754 | D | 31.2 | Very low | 31.8 | Very low | 134 Ų | 134 | 127.6 Ų | 127.6 | 72% | 0.717 | 72% | 0.723 | S | S | * | * | trans | 74.2 | 113.2 | 136.4 | -75.9 | 26.7 | 0 | 0 | 0 | 124.5 | ||||
| 1755 | N | 33.5 | Very low | 31.7 | Very low | 122 Ų | 122 | 123.8 Ų | 123.8 | 65% | 0.652 | 72% | 0.717 | S | S | * | * | trans | 71 | 118.8 | 133.5 | -63 | -52.2 | 0 | 0 | 0 | 122.2 | ||||
| 1756 | N | 31.3 | Very low | 31.6 | Very low | 137 Ų | 137 | 126.1 Ų | 126.1 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | trans | 34.7 | 132.1 | 134.2 | -47.6 | -18.7 | 0 | 0 | 0 | 119.3 | ||||
| 1757 | D | 30.4 | Very low | 31.3 | Very low | 154 Ų | 154 | 124 Ų | 124 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | -174.2 | 164.6 | 63 | -120.7 | -37 | 0 | 0 | 0 | 116.1 | |||||
| 1758 | A | 33.9 | Very low | 31.1 | Very low | 74 Ų | 74 | 124.6 Ų | 124.6 | 61% | 0.612 | 74% | 0.744 | S | S | * | * | trans | 49.6 | 110.9 | 146.8 | 0 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 1759 | N | 30.8 | Very low | 30.8 | Very low | 140 Ų | 140 | 122.8 Ų | 122.8 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | 63.1 | 128.1 | 117.4 | -67.4 | -21.7 | 0 | 0 | 0 | 126.2 | |||||
| 1760 | L | 31 | Very low | 30.8 | Very low | 149 Ų | 149 | 122 Ų | 122 | 78% | 0.78 | 75% | 0.745 | S | S | * | * | 59.1 | 157.8 | 125.7 | -60.1 | 167.5 | 0 | 0 | 0 | 120.4 | |||||
| 1761 | D | 29 | Very low | 31.1 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 59% | 0.588 | 75% | 0.745 | S | S | * | * | cis | -156.1 | 171.8 | 0.3 | -146.2 | -40.3 | 0 | 0 | 0 | 111 | ||||
| 1762 | H | 32.4 | Very low | 31.2 | Very low | 165 Ų | 165 | 123.5 Ų | 123.5 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | trans | 154.3 | 86.2 | 134.4 | -90.7 | -70.4 | 0 | 0 | 0 | 118.5 | ||||
| 1763 | T | 31.6 | Very low | 31.2 | Very low | 102 Ų | 102 | 124.1 Ų | 124.1 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | 22.1 | 154.4 | 122.5 | 47.4 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 1764 | L | 31.6 | Very low | 31.4 | Very low | 177 Ų | 177 | 123.1 Ų | 123.1 | 93% | 0.927 | 74% | 0.743 | S | S | * | * | trans | 114.8 | 137.3 | 153.6 | -62.2 | 171.5 | 0 | 0 | 0 | 116.9 | ||||
| 1765 | G | 31.3 | Very low | 31.6 | Very low | 61 Ų | 61 | 123.5 Ų | 123.5 | 63% | 0.629 | 74% | 0.74 | S | S | * | * | cis | 169.2 | 171.2 | -10 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1766 | S | 31.4 | Very low | 31.5 | Very low | 138 Ų | 138 | 125 Ų | 125 | 97% | 0.965 | 74% | 0.741 | S | S | * | * | trans | 74 | 153.6 | 170.2 | 78.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1767 | G | 29.2 | Very low | 31.4 | Very low | 70 Ų | 70 | 125.8 Ų | 125.8 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | cis | 168.5 | 167 | -8.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1768 | S | 30.8 | Very low | 31.5 | Very low | 137 Ų | 137 | 123.5 Ų | 123.5 | 96% | 0.958 | 73% | 0.726 | S | S | * | * | trans | 75.9 | 143.9 | -178.1 | -160.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 1769 | G | 31.8 | Very low | 31.3 | Very low | 71 Ų | 71 | 125.3 Ų | 125.3 | 73% | 0.732 | 73% | 0.729 | S | S | * | * | cis | 161.8 | 169.4 | -0.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1770 | S | 31.7 | Very low | 31.1 | Very low | 109 Ų | 109 | 126 Ų | 126 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | cis | -171.3 | 169.2 | -12.5 | -167.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1771 | N | 31.8 | Very low | 30.9 | Very low | 134 Ų | 134 | 128.3 Ų | 128.3 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | trans | 65.6 | 122.9 | 160.4 | -80.6 | -18.2 | 0 | 0 | 0 | 124.3 | ||||
| 1772 | N | 31.4 | Very low | 30.9 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 66% | 0.658 | 73% | 0.729 | S | S | * | * | 67.5 | 114.7 | 127 | -64.5 | -25.9 | 0 | 0 | 0 | 125 | |||||
| 1773 | N | 30 | Very low | 30.8 | Very low | 139 Ų | 139 | 128.5 Ų | 128.5 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | 50 | 118.7 | 123.1 | -60.7 | -26.5 | 0 | 0 | 0 | 121.7 | |||||
| 1774 | N | 33.8 | Very low | 30.8 | Very low | 139 Ų | 139 | 128.8 Ų | 128.8 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | -163.3 | 128.4 | 114.4 | -114 | -33.2 | 0 | 0 | 0 | 115.2 | |||||
| 1775 | H | 34 | Very low | 31 | Very low | 142 Ų | 142 | 126.8 Ų | 126.8 | 66% | 0.657 | 72% | 0.72 | S | S | * | * | trans | 59.6 | 148.7 | 147.6 | -79.4 | 56.9 | 0 | 0 | 0 | 120.4 | ||||
| 1776 | K | 31.6 | Very low | 31.2 | Very low | 155 Ų | 155 | 129.7 Ų | 129.7 | 67% | 0.674 | 72% | 0.722 | S | S | * | * | cis | -165.3 | 136.2 | -26.5 | -129.3 | -170.7 | -162.2 | 147.2 | 0 | 110.1 | ||||
| 1777 | K | 30.9 | Very low | 31.4 | Very low | 153 Ų | 153 | 128.5 Ų | 128.5 | 67% | 0.665 | 71% | 0.705 | S | S | * | * | trans | 54.1 | 144.4 | 132.9 | -88.6 | -172.6 | 142.4 | -71.8 | 0 | 124.1 | ||||
| 1778 | D | 30.7 | Very low | 31.7 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 57% | 0.567 | 70% | 0.703 | S | S | * | * | trans | 66.8 | 99.1 | 140.1 | -55.9 | -4.3 | 0 | 0 | 0 | 118.4 | ||||
| 1779 | T | 31.4 | Very low | 31.8 | Very low | 111 Ų | 111 | 131 Ų | 131 | 68% | 0.681 | 69% | 0.691 | S | S | * | * | 75.1 | 125.8 | 75.7 | 61.3 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1780 | N | 25.9 | Very low | 32 | Very low | 154 Ų | 154 | 132.3 Ų | 132.3 | 82% | 0.824 | 69% | 0.685 | S | S | * | * | trans | 56.9 | 129.1 | 155.1 | -54.2 | -17.4 | 0 | 0 | 0 | 116.6 | ||||
| 1781 | R | 27.6 | Very low | 32.1 | Very low | 199 Ų | 199 | 135.3 Ų | 135.3 | 75% | 0.751 | 69% | 0.692 | S | S | * | * | -169 | 158.7 | 67.7 | -135 | 177.2 | 147 | 116.7 | 15.7 | 112.7 | |||||
| 1782 | E | 27.9 | Very low | 32.1 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 55% | 0.551 | 69% | 0.691 | S | S | * | * | trans | 29.4 | 134.9 | 138.9 | -80.1 | 163.6 | -156.1 | 0 | 0 | 122.3 | ||||
| 1783 | Q | 30.4 | Very low | 32.1 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 75% | 0.752 | 69% | 0.693 | S | S | * | * | trans | 71.9 | 147.6 | 139.2 | -65.3 | 178.1 | -13.8 | 0 | 0 | 117.4 | ||||
| 1784 | T | 32.4 | Very low | 32.3 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 66% | 0.656 | 69% | 0.69 | S | S | * | * | cis | -157.4 | 164.9 | -6.3 | 4.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1785 | N | 34.6 | Very low | 32.2 | Very low | 135 Ų | 135 | 135.7 Ų | 135.7 | 72% | 0.722 | 69% | 0.687 | S | S | * | * | trans | 77.2 | 128.7 | 144.3 | -74.5 | 9.4 | 0 | 0 | 0 | 121.1 | ||||
| 1786 | N | 36.6 | Very low | 32.1 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 66% | 0.658 | 69% | 0.689 | S | S | * | * | trans | 82.5 | 95.5 | 143.1 | -68.2 | 45.2 | 0 | 0 | 0 | 119.7 | ||||
| 1787 | D | 34.8 | Very low | 32.1 | Very low | 113 Ų | 113 | 134 Ų | 134 | 60% | 0.604 | 69% | 0.69 | S | S | * | * | 78.1 | 113.2 | 118.3 | -61.7 | -46.1 | 0 | 0 | 0 | 118.2 | |||||
| 1788 | N | 34.8 | Very low | 32.2 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 68% | 0.684 | 69% | 0.691 | S | S | * | * | 71.7 | 126.2 | 71 | -72.4 | -49.1 | 0 | 0 | 0 | 111.7 | |||||
| 1789 | N | 33.1 | Very low | 32.3 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | cis | -157.5 | -179.6 | 0 | -143.5 | -21.2 | 0 | 0 | 0 | 112.2 | ||||
| 1790 | T | 35.9 | Very low | 32.4 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 60% | 0.601 | 70% | 0.703 | S | S | * | * | trans | -33.1 | 140 | 167.9 | 53 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1791 | N | 34.4 | Very low | 33 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 92% | 0.92 | 69% | 0.691 | S | S | * | * | -143.3 | 0 | 107 | -109 | -18.7 | 0 | 0 | 0 | 110.6 | S1661 | S1661-N1791 PolarHBondContact OG-ND2 3.45Š|
Retrieved 1,791 of 1,791 residues in 903.2 ms
(Link to these results)