| 1 | M | 45.8 | Very low | 57.2 | Low | 217 Ų | 217 | 180.6 Ų | 180.6 | 100% | 1.069 | 86% | 0.864 | S | S | * | * | | | | 0 | 99.8 | 0 | -64.6 | -63.4 | -173.9 | 0 | 0 | 109 | | |
| 2 | P | 54.6 | Low | 57.2 | Low | 120 Ų | 120 | 177.3 Ų | 177.3 | 78% | 0.779 | 85% | 0.85 | S | S | * | * | | | trans | -92.4 | 126.9 | 170.4 | 31 | -21.4 | 0 | 0 | 0 | 109.9 | N4 | P2-N4 PolarHBondContact O-N 3.07Š|
| 3 | Y | 50 | Low | 57 | Low | 207 Ų | 207 | 172.5 Ų | 172.5 | 81% | 0.812 | 84% | 0.842 | S | S | * | * | | | trans | -68.7 | 119.2 | -178.5 | -65.1 | -91.5 | 0 | 0 | 0 | 111.2 | L5 | Y3-L5 PolarHBondContact O-N 3.18Š|
| 4 | N | 54.8 | Low | 56 | Low | 162 Ų | 162 | 175.4 Ų | 175.4 | 87% | 0.866 | 84% | 0.841 | S | S | * | * | | | trans | -77.3 | 85.1 | 169.3 | -77.9 | -42.3 | 0 | 0 | 0 | 110.1 | P2 R6 | P2-N4 PolarHBondContact O-N 3.07Å; N4-R6 PolarHBondContact O-N 3.41Å |
| 5 | L | 56 | Low | 55.5 | Low | 161 Ų | 161 | 173.5 Ų | 173.5 | 84% | 0.843 | 84% | 0.838 | S | S | * | * | | | trans | -73.2 | 97 | 165.5 | -84.6 | 148.7 | 0 | 0 | 0 | 109.1 | Y3 | Y3-L5 PolarHBondContact O-N 3.18Š|
| 6 | R | 56.4 | Low | 55 | Low | 228 Ų | 228 | 173.6 Ų | 173.6 | 86% | 0.86 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 128.8 | 169.3 | -79.3 | -176.9 | 174.5 | 179.9 | -0.3 | 109.8 | N4 R8 | N4-R6 PolarHBondContact O-N 3.41Å; R6-R8 PolarHBondContact O-N 3.32Å |
| 7 | P | 66.5 | Low | 54.7 | Low | 126 Ų | 126 | 177.5 Ų | 177.5 | 82% | 0.818 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 129 | 175.5 | -19.9 | 30.4 | 0 | 0 | 0 | 111.2 | | |
| 8 | R | 62.4 | Low | 54.7 | Low | 237 Ų | 237 | 174.5 Ų | 174.5 | 89% | 0.894 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 137.4 | 169.5 | -75.2 | -175.7 | 173.9 | -174.9 | -1.5 | 109.6 | R6 K10 | R6-R8 PolarHBondContact O-N 3.32Å; R8-K10 PolarHBondContact O-N 3.1Å |
| 9 | P | 59.9 | Low | 54.9 | Low | 123 Ų | 123 | 177.8 Ų | 177.8 | 80% | 0.799 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 130 | 177.8 | 11.8 | -8.2 | 0 | 0 | 0 | 110.7 | K11 | P9-K11 PolarHBondContact O-N 3.37Š|
| 10 | K | 61.7 | Low | 55.1 | Low | 196 Ų | 196 | 175 Ų | 175 | 85% | 0.852 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 121.4 | 171.1 | -72.2 | 179.6 | 177.5 | 177.8 | 0 | 108.9 | R8 M12 | R8-K10 PolarHBondContact O-N 3.1Å; K10-M12 PolarHBondContact O-N 3.41Å; K10-M12 VanDerWaalsContact O-N 3.1Å |
| 11 | K | 60.8 | Low | 55.3 | Low | 210 Ų | 210 | 176.4 Ų | 176.4 | 91% | 0.913 | 85% | 0.846 | S | S | * | * | | | trans | -62.5 | 107.6 | 167.5 | -73.8 | -176.8 | 177.2 | -178.3 | 0 | 108.3 | P9 | P9-K11 PolarHBondContact O-N 3.37Š|
| 12 | M | 58.1 | Low | 55.9 | Low | 141 Ų | 141 | 176 Ų | 176 | 70% | 0.695 | 84% | 0.838 | S | S | * | * | | | trans | -88 | 127.9 | 168.5 | -81.9 | -96.6 | -68.6 | 0 | 0 | 108.9 | K10 Y14 | K10-M12 PolarHBondContact O-N 3.41Å; K10-M12 VanDerWaalsContact O-N 3.1Å; M12-Y14 PolarHBondContact O-N 2.96Å; M12-Y14 VanDerWaalsContact O-N 3.16Å |
| 13 | P | 54.1 | Low | 56.1 | Low | 114 Ų | 114 | 177.3 Ų | 177.3 | 74% | 0.74 | 84% | 0.836 | S | S | * | * | | | trans | -72.4 | 108.4 | 174.1 | 28.7 | -30.4 | 0 | 0 | 0 | 109.1 | N15 | P13-N15 VanDerWaalsContact C-N 3.35Å; P13-N15 PolarHBondContact O-N 3.16Å |
| 14 | Y | 42.9 | Very low | 56.5 | Low | 214 Ų | 214 | 172.6 Ų | 172.6 | 84% | 0.839 | 83% | 0.83 | S | S | * | * | | | trans | -71 | 88.3 | 172.4 | -60.5 | -81.9 | 0 | 0 | 0 | 109.8 | M12 | M12-Y14 PolarHBondContact O-N 2.96Å; M12-Y14 VanDerWaalsContact O-N 3.16Å |
| 15 | N | 49.3 | Very low | 56.1 | Low | 147 Ų | 147 | 174.4 Ų | 174.4 | 79% | 0.786 | 83% | 0.826 | S | S | * | * | | | trans | -144.7 | 56.2 | 169.3 | -84.5 | -32.9 | 0 | 0 | 0 | 111.2 | P13 | P13-N15 VanDerWaalsContact C-N 3.35Å; P13-N15 PolarHBondContact O-N 3.16Å |
| 16 | L | 46 | Very low | 55.8 | Low | 174 Ų | 174 | 174.2 Ų | 174.2 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | | | trans | -139.3 | 75.1 | 167.5 | -73.5 | 168.9 | 0 | 0 | 0 | 109.1 | P18 | L16-P18 WeakPolarHBondContact O-CD 3.4Š|
| 17 | R | 49.9 | Very low | 55.6 | Low | 241 Ų | 241 | 170.3 Ų | 170.3 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 121.6 | 157.2 | -93.8 | -177.1 | 174.4 | 179.5 | -0.5 | 107.1 | R19 | R17-R19 PolarHBondContact O-N 3.2Š|
| 18 | P | 56.1 | Low | 54.5 | Low | 123 Ų | 123 | 175.7 Ų | 175.7 | 80% | 0.799 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 122.7 | 172.9 | -18.3 | 30.6 | 0 | 0 | 0 | 109.1 | L16 | L16-P18 WeakPolarHBondContact O-CD 3.4Š|
| 19 | R | 57.7 | Low | 53.5 | Low | 237 Ų | 237 | 169.4 Ų | 169.4 | 89% | 0.894 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 130.3 | 168.5 | -74.6 | -173.4 | 174.9 | -169.7 | -0.8 | 108.1 | R17 K21 | R17-R19 PolarHBondContact O-N 3.2Å; R19-K21 PolarHBondContact O-N 3.44Å |
| 20 | P | 59.5 | Low | 52.6 | Low | 122 Ų | 122 | 175.1 Ų | 175.1 | 79% | 0.792 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 131 | 174.6 | 24.3 | -30.1 | 0 | 0 | 0 | 109.5 | K22 | P20-K22 PolarHBondContact O-N 3.36Š|
| 21 | K | 58.8 | Low | 51.9 | Low | 204 Ų | 204 | 170.7 Ų | 170.7 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 130.7 | 173.3 | -70.9 | 178.1 | 176.2 | 178.7 | 0 | 108.8 | R19 M23 | R19-K21 PolarHBondContact O-N 3.44Å; K21-M23 PolarHBondContact O-N 3.08Å; K21-M23 VanDerWaalsContact O-N 3.08Å |
| 22 | K | 57.5 | Low | 51.3 | Low | 208 Ų | 208 | 170.4 Ų | 170.4 | 90% | 0.904 | 82% | 0.816 | S | S | * | * | | | trans | -56.1 | 110.3 | 171.5 | -75.9 | 178.7 | 174.9 | -179.1 | 0 | 108.9 | P20 | P20-K22 PolarHBondContact O-N 3.36Š|
| 23 | M | 59.8 | Low | 51 | Low | 149 Ų | 149 | 171.2 Ų | 171.2 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | | | trans | -84.5 | 129.9 | 163.7 | -87.6 | -91.4 | -66.8 | 0 | 0 | 108.2 | K21 Y25 | K21-M23 PolarHBondContact O-N 3.08Å; K21-M23 VanDerWaalsContact O-N 3.08Å; M23-Y25 PolarHBondContact O-N 3.23Å |
| 24 | P | 57.4 | Low | 50.8 | Low | 107 Ų | 107 | 170 Ų | 170 | 70% | 0.695 | 82% | 0.815 | S | S | * | * | | | trans | -69.3 | 115.1 | 172.3 | 27.6 | -30.7 | 0 | 0 | 0 | 109.1 | N26 | P24-N26 PolarHBondContact O-N 3.07Š|
| 25 | Y | 47.5 | Very low | 50.9 | Low | 200 Ų | 200 | 166.8 Ų | 166.8 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | | | trans | -70.9 | 99 | 172.6 | -70.8 | -86 | 0 | 0 | 0 | 109.4 | M23 L27 | M23-Y25 PolarHBondContact O-N 3.23Å; Y25-L27 HydrophobicContact CD1-CD1 4.33Å; Y25-L27 HydrophobicContact CG-CD1 4.41Å; Y25-L27 PolarHBondContact O-N 3.01Å |
| 26 | N | 50.7 | Low | 50.9 | Low | 158 Ų | 158 | 165 Ų | 165 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | | | trans | -76.4 | 72 | 157.6 | -79.7 | -22.4 | 0 | 0 | 0 | 108.7 | P24 R28 | P24-N26 PolarHBondContact O-N 3.07Å; N26-R28 PolarHBondContact O-N 2.74Å |
| 27 | L | 50.7 | Low | 51.3 | Low | 146 Ų | 146 | 164.2 Ų | 164.2 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | | | trans | -73.9 | 80.5 | 164.7 | -86.1 | 149.9 | 0 | 0 | 0 | 107.5 | Y25 S29 | Y25-L27 HydrophobicContact CD1-CD1 4.33Å; Y25-L27 HydrophobicContact CG-CD1 4.41Å; Y25-L27 PolarHBondContact O-N 3.01Å; L27-S29 PolarHBondContact O-N 3.2Å; L27-S29 VanDerWaalsContact O-N 3.12Å |
| 28 | R | 44.8 | Very low | 51.3 | Low | 239 Ų | 239 | 158.1 Ų | 158.1 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | | | trans | -67 | 109.8 | 171.6 | -161.4 | 174.4 | -173.8 | -150.4 | 1.9 | 107.7 | N26 R30 | N26-R28 PolarHBondContact O-N 2.74Å; R28-R30 PolarHBondContact O-N 3.23Å; R28-R30 VanDerWaalsContact O-N 3.14Å |
| 29 | S | 39.6 | Very low | 51.2 | Low | 104 Ų | 104 | 157.1 Ų | 157.1 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | trans | -43.2 | 109.8 | 179.7 | -46.5 | 0 | 0 | 0 | 0 | 112.8 | L27 | L27-S29 PolarHBondContact O-N 3.2Å; L27-S29 VanDerWaalsContact O-N 3.12Å |
| 30 | R | 42.4 | Very low | 50.8 | Low | 244 Ų | 244 | 152 Ų | 152 | 92% | 0.921 | 76% | 0.755 | S | S | * | * | | | trans | -112.2 | 67.9 | 156.9 | -90.1 | -176.4 | 138.8 | -174.6 | -5 | 108.3 | R28 K32 | R28-R30 PolarHBondContact O-N 3.23Å; R28-R30 VanDerWaalsContact O-N 3.14Å; R30-K32 PolarHBondContact O-N 2.73Å |
| 31 | S | 45.6 | Very low | 50.4 | Low | 103 Ų | 103 | 149.2 Ų | 149.2 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | | | trans | -82 | 85.1 | 169.1 | 53.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 32 | K | 48.2 | Very low | 50 | Low | 204 Ų | 204 | 146.9 Ų | 146.9 | 89% | 0.887 | 74% | 0.735 | S | S | * | * | | | trans | -155.9 | 63.5 | 154.3 | -69.6 | -153.5 | -179 | -168.3 | 0 | 108.7 | R30 | R30-K32 PolarHBondContact O-N 2.73Š|
| 33 | L | 52.5 | Low | 49.8 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 83% | 0.827 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 130.4 | 156.2 | -80.3 | 165.2 | 0 | 0 | 0 | 106.2 | Q35 | L33-Q35 PolarHBondContact O-N 3.12Š|
| 34 | P | 50.1 | Low | 49.4 | Very low | 89 Ų | 89 | 138.3 Ų | 138.3 | 58% | 0.578 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 125.9 | 176.1 | 24.3 | -30.6 | 0 | 0 | 0 | 107.9 | T36 | P34-T36 PolarHBondContact O-N 2.97Š|
| 35 | Q | 44.9 | Very low | 49.3 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 68% | 0.682 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 126.8 | 173.4 | -69.7 | -172.3 | -29.9 | 0 | 0 | 107.2 | L33 E37 D38 | L33-Q35 PolarHBondContact O-N 3.12Å; Q35-E37 PolarHBondContact O-N 3.01Å; Q35-D38 PolarHBondContact O-N 3.47Å; Q35-D38 VanDerWaalsContact O-N 3.1Å |
| 36 | T | 49.8 | Very low | 49.4 | Very low | 110 Ų | 110 | 138 Ų | 138 | 68% | 0.675 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | 1.4 | -176.1 | 37.3 | 0 | 0 | 0 | 0 | 114.6 | P34 | P34-T36 PolarHBondContact O-N 2.97Š|
| 37 | E | 53.8 | Low | 49.3 | Very low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.734 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -26.7 | 175.9 | -54.7 | -162.9 | 179.3 | 0 | 0 | 111.9 | Q35 I39 | Q35-E37 PolarHBondContact O-N 3.01Å; E37-I39 VanDerWaalsContact C-N 3.33Å; E37-I39 PolarHBondContact O-N 3.26Å |
| 38 | D | 49.7 | Very low | 49.5 | Very low | 113 Ų | 113 | 130 Ų | 130 | 60% | 0.604 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -75.4 | -23.9 | 176.8 | -66 | -25.2 | 0 | 0 | 0 | 112.4 | Q35 | Q35-D38 PolarHBondContact O-N 3.47Å; Q35-D38 VanDerWaalsContact O-N 3.1Å |
| 39 | I | 54.3 | Low | 49.6 | Very low | 101 Ų | 101 | 128.1 Ų | 128.1 | 52% | 0.518 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -79.6 | -22.6 | -175.6 | -55.5 | 174.4 | 0 | 0 | 0 | 111.5 | E37 | E37-I39 VanDerWaalsContact C-N 3.33Å; E37-I39 PolarHBondContact O-N 3.26Å |
| 40 | L | 49.9 | Very low | 50.1 | Low | 130 Ų | 130 | 126.9 Ų | 126.9 | 68% | 0.681 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -81 | -31 | 177.4 | -68.6 | 173.3 | 0 | 0 | 0 | 112.4 | | |
| 41 | A | 51.5 | Low | 50.4 | Low | 64 Ų | 64 | 118.5 Ų | 118.5 | 53% | 0.529 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -71.8 | -29.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 42 | E | 49.8 | Very low | 50.4 | Low | 155 Ų | 155 | 121 Ų | 121 | 72% | 0.724 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -79.1 | -23.6 | -178.8 | -129.4 | -175.9 | 178 | 0 | 0 | 113.3 | R46 | E42-R46 PolarHBondContact O-N 3.4Å |
| 43 | A | 52.4 | Low | 50.4 | Low | 58 Ų | 58 | 114.7 Ų | 114.7 | 48% | 0.479 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -70.4 | -38.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R46 A47 | A43-R46 PolarHBondContact O-N 2.87Å; A43-A47 WeakPolarHBondContact O-CB 3.2Å; A43-A47 PolarHBondContact O-N 3.39Å |
| 44 | D | 51.2 | Low | 50 | Low | 118 Ų | 118 | 109.4 Ų | 109.4 | 63% | 0.631 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -73.1 | -31.5 | -180 | -85.9 | -18.1 | 0 | 0 | 0 | 113.2 | R46 S48 | D44-R46 VanDerWaalsContact C-N 3.34Å; D44-S48 WeakPolarHBondContact O-CB 3.45Å; D44-S48 PolarHBondContact O-N 2.83Å; D44-S48 PolarHBondContact O-OG 3.45Å |
| 45 | V | 55.3 | Low | 49.9 | Very low | 93 Ų | 93 | 113.4 Ų | 113.4 | 56% | 0.564 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -73.3 | -30.1 | 175.5 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | R49 | V45-R49 PolarHBondContact O-N 2.94Å |
| 46 | R | 49.5 | Very low | 49.9 | Very low | 207 Ų | 207 | 111 Ų | 111 | 78% | 0.781 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -81.5 | -37 | 178.9 | -161.4 | 170.5 | -175.7 | 144.1 | 0 | 112.8 | E42 A43 D44 S48 R49 S50 | E42-R46 PolarHBondContact O-N 3.4Å; A43-R46 PolarHBondContact O-N 2.87Å; D44-R46 VanDerWaalsContact C-N 3.34Å; R46-S48 VanDerWaalsContact C-N 3.32Å; R46-R49 PolarHBondContact O-N 2.99Å; R46-S50 PolarHBondContact O-N 2.8Å; R46-S50 PolarHBondContact O-OG 3.03Å |
| 47 | A | 49.7 | Very low | 49.7 | Very low | 55 Ų | 55 | 109.8 Ų | 109.8 | 46% | 0.455 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -64.6 | -35.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A43 R49 S50 | A43-A47 WeakPolarHBondContact O-CB 3.2Å; A43-A47 PolarHBondContact O-N 3.39Å; A47-R49 VanDerWaalsContact C-N 3.32Å; A47-R49 PolarHBondContact O-N 2.67Å; A47-S50 PolarHBondContact O-N 3.14Å; A47-S50 PolarHBondContact O-OG 2.79Å |
| 48 | S | 55.1 | Low | 49.5 | Very low | 81 Ų | 81 | 106.9 Ų | 106.9 | 57% | 0.566 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.2 | -25.9 | 176.9 | -58.6 | 0 | 0 | 0 | 0 | 113.5 | D44 R46 | D44-S48 WeakPolarHBondContact O-CB 3.45Å; D44-S48 PolarHBondContact O-N 2.83Å; D44-S48 PolarHBondContact O-OG 3.45Å; R46-S48 VanDerWaalsContact C-N 3.32Å |
| 49 | R | 47.5 | Very low | 49.4 | Very low | 200 Ų | 200 | 112.1 Ų | 112.1 | 76% | 0.755 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -84.9 | -23.8 | 176.8 | -77.7 | 179.4 | 162 | -168.7 | -4 | 113.7 | V45 R46 A47 | V45-R49 PolarHBondContact O-N 2.94Å; R46-R49 PolarHBondContact O-N 2.99Å; A47-R49 VanDerWaalsContact C-N 3.32Å; A47-R49 PolarHBondContact O-N 2.67Å |
| 50 | S | 48.7 | Very low | 49.3 | Very low | 79 Ų | 79 | 115 Ų | 115 | 55% | 0.552 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -79.4 | -19.6 | 175.3 | 52.2 | 0 | 0 | 0 | 0 | 114 | R46 A47 | R46-S50 PolarHBondContact O-N 2.8Å; R46-S50 PolarHBondContact O-OG 3.03Å; A47-S50 PolarHBondContact O-N 3.14Å; A47-S50 PolarHBondContact O-OG 2.79Å |
| 51 | A | 48.2 | Very low | 49 | Very low | 68 Ų | 68 | 113.2 Ų | 113.2 | 56% | 0.562 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -73.6 | -28.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 52 | L | 46.8 | Very low | 48.9 | Very low | 156 Ų | 156 | 119.4 Ų | 119.4 | 82% | 0.817 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -85.2 | -20 | 176 | -97.3 | 90.5 | 0 | 0 | 0 | 114.2 | | |
| 53 | A | 47.2 | Very low | 49 | Very low | 71 Ų | 71 | 120.6 Ų | 120.6 | 59% | 0.587 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -85.4 | -12.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 54 | G | 45.4 | Very low | 48.9 | Very low | 46 Ų | 46 | 125.6 Ų | 125.6 | 47% | 0.474 | 70% | 0.701 | S | S | . | * | S | Bend | trans | -81.1 | -15.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 55 | Q | 47.8 | Very low | 48.8 | Very low | 174 Ų | 174 | 125.5 Ų | 125.5 | 81% | 0.813 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -83.3 | -16 | -178.1 | -78.4 | -173.7 | 12.4 | 0 | 0 | 114.3 | | |
| 56 | A | 44.1 | Very low | 48.4 | Very low | 95 Ų | 95 | 125.6 Ų | 125.6 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -89.3 | -18.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 57 | A | 47 | Very low | 48.6 | Very low | 84 Ų | 84 | 125.1 Ų | 125.1 | 69% | 0.694 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -92.5 | -4.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | R59 | A57-R59 PolarHBondContact O-N 2.76Š|
| 58 | S | 48.4 | Very low | 48.5 | Very low | 96 Ų | 96 | 134.2 Ų | 134.2 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -0.5 | -172.9 | -177.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 59 | R | 47.8 | Very low | 47.9 | Very low | 224 Ų | 224 | 135.6 Ų | 135.6 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | -5.1 | -173.4 | -79.5 | -177.7 | 162.4 | 156.2 | -3.6 | 116.4 | A57 | A57-R59 PolarHBondContact O-N 2.76Š|
| 60 | N | 51.6 | Low | 48 | Very low | 162 Ų | 162 | 135 Ų | 135 | 87% | 0.866 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -114.8 | 6.4 | -176.8 | -78.5 | -10.8 | 0 | 0 | 0 | 116 | | |
| 61 | A | 45.1 | Very low | 48.2 | Very low | 92 Ų | 92 | 142.9 Ų | 142.9 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -96.3 | 7.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 62 | K | 47.7 | Very low | 48.6 | Very low | 193 Ų | 193 | 146.7 Ų | 146.7 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -103.4 | 12 | -168.5 | -138 | 172.7 | -175.6 | 177.5 | 0 | 115.5 | | |
| 63 | Q | 52.8 | Low | 48.4 | Very low | 180 Ų | 180 | 146.1 Ų | 146.1 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -117.7 | -1.4 | -176.5 | -79.7 | -172.9 | -30.2 | 0 | 0 | 116.3 | | |
| 64 | N | 50.6 | Low | 48 | Very low | 163 Ų | 163 | 146.7 Ų | 146.7 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -112.1 | 12.2 | -173 | -75.9 | -14.9 | 0 | 0 | 0 | 116.3 | | |
| 65 | S | 48.6 | Very low | 48.1 | Very low | 116 Ų | 116 | 152.5 Ų | 152.5 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | | | trans | -102.4 | 7.2 | -176.2 | 62.1 | 0 | 0 | 0 | 0 | 115.9 | | |
| 66 | A | 47.8 | Very low | 47.8 | Very low | 95 Ų | 95 | 153.1 Ų | 153.1 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -95.3 | 5.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 67 | K | 53.9 | Low | 47.9 | Very low | 197 Ų | 197 | 154.4 Ų | 154.4 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | | | trans | -144.6 | 78.1 | -176.5 | -69.2 | -175 | -178.9 | 176.1 | 0 | 113.6 | | |
| 68 | R | 46.2 | Very low | 47.7 | Very low | 246 Ų | 246 | 157.9 Ų | 157.9 | 93% | 0.928 | 83% | 0.829 | S | S | * | * | | | trans | -168.1 | 65.5 | 162 | -115.4 | 174.2 | 151.9 | -160.4 | -6.7 | 108.2 | | |
| 69 | S | 43.1 | Very low | 47.3 | Very low | 110 Ų | 110 | 162.1 Ų | 162.1 | 77% | 0.769 | 84% | 0.838 | S | S | * | * | | | | 46.7 | 83.3 | 84.9 | -154.7 | 0 | 0 | 0 | 0 | 114.8 | | |
| 70 | K | 48.4 | Very low | 47.2 | Very low | 187 Ų | 187 | 160.2 Ų | 160.2 | 81% | 0.813 | 84% | 0.843 | S | S | * | * | | | trans | 46.4 | 104.8 | 136 | -60.2 | -179.1 | 179.5 | -179.6 | 0 | 117.7 | | |
| 71 | R | 54.1 | Low | 46.5 | Very low | 245 Ų | 245 | 155.6 Ų | 155.6 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | | | trans | -152 | 120.2 | 136.6 | -111.1 | 178.7 | -82.1 | 155.6 | -8.8 | 110.2 | | |
| 72 | N | 56.5 | Low | 46.6 | Very low | 148 Ų | 148 | 158.3 Ų | 158.3 | 79% | 0.791 | 84% | 0.841 | S | S | * | * | | | trans | -49.8 | 138.1 | -177 | -49.5 | -37.3 | 0 | 0 | 0 | 111.9 | | |
| 73 | V | 42.7 | Very low | 46.3 | Very low | 144 Ų | 144 | 153.8 Ų | 153.8 | 87% | 0.873 | 83% | 0.834 | S | S | * | * | | | | 54 | 90.1 | 62.1 | -170.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 74 | A | 38.9 | Very low | 45.6 | Very low | 84 Ų | 84 | 150.2 Ų | 150.2 | 69% | 0.694 | 84% | 0.835 | S | S | * | * | | | trans | -173.1 | 107 | 145.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 75 | N | 47.4 | Very low | 45.5 | Very low | 167 Ų | 167 | 147.7 Ų | 147.7 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | | | trans | 179.6 | 101.5 | 130.2 | -91.4 | -3.9 | 0 | 0 | 0 | 108.8 | | |
| 76 | E | 40.3 | Very low | 45.1 | Very low | 187 Ų | 187 | 151.1 Ų | 151.1 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | | | trans | -61.4 | 135.3 | 160.9 | -60.1 | 174.4 | 155.7 | 0 | 0 | 109 | | |
| 77 | S | 48 | Very low | 45 | Very low | 122 Ų | 122 | 151 Ų | 151 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | | | trans | -169.7 | 81.8 | 148.7 | -74.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 78 | D | 41.4 | Very low | 44.2 | Very low | 158 Ų | 158 | 147.5 Ų | 147.5 | 85% | 0.845 | 82% | 0.822 | S | S | * | * | | | trans | -58.5 | 159.6 | 152.9 | -78.9 | -43.1 | 0 | 0 | 0 | 110 | | |
| 79 | Q | 41.5 | Very low | 44.4 | Very low | 185 Ų | 185 | 140.9 Ų | 140.9 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | | | trans | 94.8 | 80.4 | 175.1 | -54.3 | 179.3 | 26.3 | 0 | 0 | 116.1 | | |
| 80 | L | 44.2 | Very low | 44.4 | Very low | 183 Ų | 183 | 142.4 Ų | 142.4 | 96% | 0.958 | 82% | 0.819 | S | S | * | * | | | trans | -101.1 | 81.5 | 144 | -69.9 | 178.3 | 0 | 0 | 0 | 108.3 | | |
| 81 | G | 38.6 | Very low | 44.4 | Very low | 65 Ų | 65 | 137 Ų | 137 | 67% | 0.67 | 82% | 0.816 | S | S | * | * | | | trans | -69.9 | 121.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | S83 | G81-S83 PolarHBondContact O-N 3.39Å; G81-S83 VanDerWaalsContact O-N 3.09Å |
| 82 | T | 45.6 | Very low | 43.8 | Very low | 149 Ų | 149 | 132.5 Ų | 132.5 | 91% | 0.914 | 82% | 0.816 | S | S | * | * | | | trans | -64.9 | 99.4 | 164.1 | 42.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 83 | S | 42.9 | Very low | 43 | Very low | 99 Ų | 99 | 131.2 Ų | 131.2 | 69% | 0.692 | 82% | 0.818 | S | S | * | * | | | trans | -141.1 | 124.2 | 167.3 | 68.7 | 0 | 0 | 0 | 0 | 110.5 | G81 V85 | G81-S83 PolarHBondContact O-N 3.39Å; G81-S83 VanDerWaalsContact O-N 3.09Å; S83-V85 PolarHBondContact O-N 2.8Å |
| 84 | A | 36.9 | Very low | 43.2 | Very low | 104 Ų | 104 | 130 Ų | 130 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | | | trans | -58.9 | 117.6 | 176 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 85 | V | 47.7 | Very low | 43.7 | Very low | 110 Ų | 110 | 134 Ų | 134 | 67% | 0.667 | 83% | 0.826 | S | S | * | * | | | trans | -117 | 106.6 | 165.1 | 178.9 | 0 | 0 | 0 | 0 | 107.3 | S83 S87 | S83-V85 PolarHBondContact O-N 2.8Å; V85-S87 PolarHBondContact O-N 3.36Å; V85-S87 VanDerWaalsContact O-N 3.12Å |
| 86 | Q | 42 | Very low | 43.8 | Very low | 189 Ų | 189 | 129.7 Ų | 129.7 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | | | trans | -58.4 | 103.5 | 161.1 | -66.7 | 171.2 | -27.6 | 0 | 0 | 107.4 | | |
| 87 | S | 43.9 | Very low | 44.2 | Very low | 93 Ų | 93 | 126.9 Ų | 126.9 | 65% | 0.65 | 81% | 0.81 | S | S | * | * | | | trans | -114.2 | 86.2 | 170.5 | -73 | 0 | 0 | 0 | 0 | 108.7 | V85 S89 | V85-S87 PolarHBondContact O-N 3.36Å; V85-S87 VanDerWaalsContact O-N 3.12Å; S87-S89 PolarHBondContact O-N 2.8Å; S87-S89 VanDerWaalsContact O-N 3.14Å |
| 88 | S | 38.4 | Very low | 45 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | trans | -65.9 | 95.7 | 158.5 | 35.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 89 | S | 49.5 | Very low | 46.7 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | trans | -110.2 | 102.7 | 170.4 | 61 | 0 | 0 | 0 | 0 | 109.9 | S87 G91 | S87-S89 PolarHBondContact O-N 2.8Å; S87-S89 VanDerWaalsContact O-N 3.14Å; S89-G91 PolarHBondContact O-N 3.27Å |
| 90 | T | 43 | Very low | 48.1 | Very low | 143 Ų | 143 | 127.3 Ų | 127.3 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | | | trans | -66.6 | 101.8 | 165.8 | 42.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 91 | G | 49.2 | Very low | 49.6 | Very low | 73 Ų | 73 | 124.1 Ų | 124.1 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | trans | -98.2 | 111.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | S89 S93 | S89-G91 PolarHBondContact O-N 3.27Å; G91-S93 PolarHBondContact O-N 3.25Å |
| 92 | V | 40.4 | Very low | 51.3 | Low | 151 Ų | 151 | 128.5 Ų | 128.5 | 92% | 0.915 | 79% | 0.787 | S | S | * | * | | | trans | -61.3 | 111.5 | 176.4 | -83 | 0 | 0 | 0 | 0 | 111.7 | | |
| 93 | S | 41.5 | Very low | 52.4 | Low | 120 Ų | 120 | 131.9 Ų | 131.9 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | | | trans | -150.6 | 127.2 | 163 | -154.6 | 0 | 0 | 0 | 0 | 110.1 | G91 | G91-S93 PolarHBondContact O-N 3.25Š|
| 94 | S | 46.9 | Very low | 53.3 | Low | 118 Ų | 118 | 132 Ų | 132 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | -63.4 | 145.8 | -167.1 | -54.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 95 | D | 48.6 | Very low | 54.2 | Low | 170 Ų | 170 | 139.1 Ų | 139.1 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 68.4 | 69.2 | 159.7 | -105.1 | -6 | 0 | 0 | 0 | 117.9 | | |
| 96 | S | 49.2 | Very low | 54.3 | Low | 76 Ų | 76 | 139.4 Ų | 139.4 | 53% | 0.531 | 79% | 0.791 | S | S | . | * | | | trans | -179.2 | 96.8 | 141.6 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | Y98 | S96-Y98 PolarHBondContact O-N 2.78Å; S96-Y98 VanDerWaalsContact O-N 3.08Å; S96-Y98 WeakPolarHBondContact OG-CD1 3.38Å; S96-Y98 WeakPolarHBondContact OG-CE1 3.44Å |
| 97 | S | 48.2 | Very low | 54.4 | Low | 128 Ų | 128 | 136.7 Ų | 136.7 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | | | trans | -75.5 | 93.2 | 175.5 | 65.2 | 0 | 0 | 0 | 0 | 111 | | |
| 98 | Y | 65.1 | Low | 54.7 | Low | 179 Ų | 179 | 137.5 Ų | 137.5 | 70% | 0.702 | 80% | 0.798 | S | S | * | * | | | trans | -116 | 116.1 | 155.1 | 36.8 | -103.9 | 0 | 0 | 0 | 108.9 | S96 V100 | S96-Y98 PolarHBondContact O-N 2.78Å; S96-Y98 VanDerWaalsContact O-N 3.08Å; S96-Y98 WeakPolarHBondContact OG-CD1 3.38Å; S96-Y98 WeakPolarHBondContact OG-CE1 3.44Å; Y98-V100 HydrophobicContact CD2-CG2 4.39Å |
| 99 | E | 76.6 | Confident | 55.1 | Low | 183 Ų | 183 | 135.3 Ų | 135.3 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | | | trans | -78.2 | 117 | 163.9 | -68.1 | -169 | 167.7 | 0 | 0 | 108.1 | T101 | E99-T101 PolarHBondContact O-N 2.8Š|
| 100 | V | 71.4 | Confident | 55.2 | Low | 112 Ų | 112 | 138.2 Ų | 138.2 | 68% | 0.679 | 79% | 0.785 | S | S | * | * | | | trans | -91.2 | 93 | 170.2 | -179.5 | 0 | 0 | 0 | 0 | 107.5 | Y98 M102 | Y98-V100 HydrophobicContact CD2-CG2 4.39Å; V100-M102 HydrophobicContact CG1-CG 4.45Å; V100-M102 HydrophobicContact CG1-SD 4.25Å; V100-M102 PolarHBondContact O-N 2.99Å |
| 101 | T | 75.7 | Confident | 55.7 | Low | 115 Ų | 115 | 140.9 Ų | 140.9 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | | | trans | -77.8 | 99.8 | 171.4 | -43.9 | 0 | 0 | 0 | 0 | 109.3 | E99 R103 | E99-T101 PolarHBondContact O-N 2.8Å; T101-R103 PolarHBondContact O-N 2.8Å; T101-R103 VanDerWaalsContact O-N 3.11Å |
| 102 | M | 74.4 | Confident | 55.8 | Low | 158 Ų | 158 | 146.8 Ų | 146.8 | 78% | 0.778 | 80% | 0.795 | S | S | * | * | | | trans | -67.9 | 105.4 | 169 | -67.7 | -66.1 | -73.6 | 0 | 0 | 108.7 | V100 S104 | V100-M102 HydrophobicContact CG1-CG 4.45Å; V100-M102 HydrophobicContact CG1-SD 4.25Å; V100-M102 PolarHBondContact O-N 2.99Å; M102-S104 PolarHBondContact O-N 2.75Å |
| 103 | R | 69.2 | Low | 56.5 | Low | 220 Ų | 220 | 148.5 Ų | 148.5 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | | | trans | -74.3 | 110.6 | 167.7 | -85.8 | -177.6 | 167.3 | -127.2 | -1.4 | 108.6 | T101 W105 | T101-R103 PolarHBondContact O-N 2.8Å; T101-R103 VanDerWaalsContact O-N 3.11Å; R103-W105 VanDerWaalsContact O-CD1 3.32Å; R103-W105 PolarHBondContact O-N 2.95Å |
| 104 | S | 60.9 | Low | 56.7 | Low | 100 Ų | 100 | 151.9 Ų | 151.9 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | | | trans | -62 | 123.7 | 167 | -55.1 | 0 | 0 | 0 | 0 | 109.4 | M102 T106 | M102-S104 PolarHBondContact O-N 2.75Å; S104-T106 PolarHBondContact O-N 2.95Å |
| 105 | W | 55.4 | Low | 56.8 | Low | 254 Ų | 254 | 154.4 Ų | 154.4 | 96% | 0.962 | 80% | 0.795 | S | S | * | * | | | trans | -82.1 | 65.2 | 171.5 | -68.5 | 30.1 | 0 | 0 | 0 | 108.4 | R103 | R103-W105 VanDerWaalsContact O-CD1 3.32Å; R103-W105 PolarHBondContact O-N 2.95Å |
| 106 | T | 49.9 | Very low | 57 | Low | 117 Ų | 117 | 151.6 Ų | 151.6 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | | | trans | -96.9 | 105.8 | 163.6 | 49.8 | 0 | 0 | 0 | 0 | 106.3 | S104 S108 | S104-T106 PolarHBondContact O-N 2.95Å; T106-S108 VanDerWaalsContact C-N 3.35Å; T106-S108 PolarHBondContact O-N 3.23Å |
| 107 | S | 45.1 | Very low | 56.8 | Low | 131 Ų | 131 | 154.2 Ų | 154.2 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | | | trans | -55.8 | 97 | 175.6 | -160.6 | 0 | 0 | 0 | 0 | 108.5 | S109 | S107-S109 PolarHBondContact O-N 3.28Š|
| 108 | S | 49.7 | Very low | 56.7 | Low | 110 Ų | 110 | 151.9 Ų | 151.9 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | trans | -81.5 | 113.4 | 175.1 | -172.6 | 0 | 0 | 0 | 0 | 107.9 | T106 | T106-S108 VanDerWaalsContact C-N 3.35Å; T106-S108 PolarHBondContact O-N 3.23Å |
| 109 | S | 46 | Very low | 55.7 | Low | 77 Ų | 77 | 147.1 Ų | 147.1 | 54% | 0.538 | 78% | 0.775 | S | S | . | * | | | trans | 2 | 142.5 | 144.4 | -165.9 | 0 | 0 | 0 | 0 | 117.8 | S107 | S107-S109 PolarHBondContact O-N 3.28Š|
| 110 | E | 52.5 | Low | 54.7 | Low | 167 Ų | 167 | 147.4 Ų | 147.4 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | | | trans | 61 | 96.8 | 155.7 | 69.4 | -143.1 | 102.9 | 0 | 0 | 118.1 | | |
| 111 | E | 54.3 | Low | 53.9 | Low | 199 Ų | 199 | 150.3 Ų | 150.3 | 93% | 0.93 | 77% | 0.773 | S | S | * | * | | | | -165.2 | 122.3 | 120.1 | -64.8 | -148.6 | 163.4 | 0 | 0 | 108.1 | E113 | E111-E113 PolarHBondContact O-N 3.47Š|
| 112 | E | 51.2 | Low | 53.2 | Low | 198 Ų | 198 | 150.1 Ų | 150.1 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | | | trans | -77.8 | 109.5 | 174.1 | -67.1 | -161.8 | 156.5 | 0 | 0 | 109.7 | | |
| 113 | E | 53.6 | Low | 53 | Low | 186 Ų | 186 | 151.7 Ų | 151.7 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -170.4 | 121.9 | 149.6 | -109.3 | 172.4 | -167.6 | 0 | 0 | 111.1 | E111 | E111-E113 PolarHBondContact O-N 3.47Š|
| 114 | E | 46.2 | Very low | 53.4 | Low | 192 Ų | 192 | 149.6 Ų | 149.6 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | | | trans | 40.4 | 76.1 | 161 | -60.5 | -168.3 | 158.2 | 0 | 0 | 119.1 | | |
| 115 | Q | 49.3 | Very low | 54.5 | Low | 170 Ų | 170 | 154.4 Ų | 154.4 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | trans | -100 | 126.6 | 155.5 | -79 | -99.3 | -23.7 | 0 | 0 | 109.8 | T117 | Q115-T117 PolarHBondContact O-N 3.26Š|
| 116 | P | 52.2 | Low | 56 | Low | 111 Ų | 111 | 151.7 Ų | 151.7 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | | | trans | -60.4 | 111.2 | 164.6 | 26.3 | -29.9 | 0 | 0 | 0 | 106.2 | C118 | P116-C118 PolarHBondContact O-N 3.24Š|
| 117 | T | 46.2 | Very low | 57.8 | Low | 131 Ų | 131 | 151.5 Ų | 151.5 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | -61.2 | 88.6 | 178.5 | 56.5 | 0 | 0 | 0 | 0 | 108.2 | Q115 S119 | Q115-T117 PolarHBondContact O-N 3.26Å; T117-S119 PolarHBondContact O-N 3.28Å |
| 118 | C | 45.5 | Very low | 60 | Low | 80 Ų | 80 | 148.3 Ų | 148.3 | 54% | 0.541 | 75% | 0.746 | S | S | . | * | | | trans | -71.4 | 81.5 | 165.9 | -151.9 | 0 | 0 | 0 | 0 | 105.3 | P116 Y120 | P116-C118 PolarHBondContact O-N 3.24Å; C118-Y120 HydrophobicContact CB-CD2 4.23Å; C118-Y120 HydrophobicContact CB-CE1 4.47Å; C118-Y120 HydrophobicContact CB-CE2 3.65Å; C118-Y120 WeakPolarHBondContact O-CD2 3.33Å; C118-Y120 PolarHBondContact O-N 2.84Å; C118-Y120 WeakPolarHBondContact SG-CE1 3.45Å; C118-Y120 PolarHBondContact SG-OH 3.21Å; C118-Y120 VanDerWaalsContact SG-OH 3.39Å |
| 119 | S | 45.4 | Very low | 61.8 | Low | 79 Ų | 79 | 146.7 Ų | 146.7 | 55% | 0.552 | 74% | 0.735 | S | S | * | * | | | trans | -64.7 | 80 | 170.4 | 150.4 | 0 | 0 | 0 | 0 | 106.7 | T117 K121 | T117-S119 PolarHBondContact O-N 3.28Å; S119-K121 PolarHBondContact O-N 3.06Å; S119-K121 WeakPolarHBondContact OG-CG 3.2Å |
| 120 | Y | 53.6 | Low | 64 | Low | 188 Ų | 188 | 150.6 Ų | 150.6 | 74% | 0.737 | 74% | 0.738 | S | S | * | * | | | trans | -68.5 | 70.1 | 157.4 | -50.2 | -76.4 | 0 | 0 | 0 | 106.7 | C118 T122 | C118-Y120 HydrophobicContact CB-CD2 4.23Å; C118-Y120 HydrophobicContact CB-CE1 4.47Å; C118-Y120 HydrophobicContact CB-CE2 3.65Å; C118-Y120 WeakPolarHBondContact O-CD2 3.33Å; C118-Y120 PolarHBondContact O-N 2.84Å; C118-Y120 WeakPolarHBondContact SG-CE1 3.45Å; C118-Y120 PolarHBondContact SG-OH 3.21Å; C118-Y120 VanDerWaalsContact SG-OH 3.39Å; Y120-T122 PolarHBondContact O-N 3.48Å |
| 121 | K | 56 | Low | 65.9 | Low | 174 Ų | 174 | 143.9 Ų | 143.9 | 76% | 0.757 | 71% | 0.711 | S | S | * | * | | | trans | -64.8 | 86.6 | 155.8 | -77.5 | 178.9 | -175.2 | -174.1 | 0 | 104.4 | S119 K123 | S119-K121 PolarHBondContact O-N 3.06Å; S119-K121 WeakPolarHBondContact OG-CG 3.2Å; K121-K123 PolarHBondContact O-N 2.97Å |
| 122 | T | 60.7 | Low | 67.6 | Low | 110 Ų | 110 | 138.1 Ų | 138.1 | 68% | 0.675 | 69% | 0.686 | S | S | * | * | | | trans | -56.8 | 96.6 | 164.5 | 43.6 | 0 | 0 | 0 | 0 | 104.8 | Y120 E124 | Y120-T122 PolarHBondContact O-N 3.48Å; T122-E124 PolarHBondContact O-N 2.86Å |
| 123 | K | 70.8 | Confident | 69.3 | Low | 192 Ų | 192 | 135 Ų | 135 | 84% | 0.835 | 68% | 0.676 | S | S | * | * | | | trans | -65.1 | 90.6 | 164.2 | -67.5 | -176.1 | -178.8 | -178.8 | 0 | 104.2 | K121 K125 | K121-K123 PolarHBondContact O-N 2.97Å; K123-K125 PolarHBondContact O-N 3.28Å |
| 124 | E | 77.2 | Confident | 70.9 | Confident | 176 Ų | 176 | 132.9 Ų | 132.9 | 82% | 0.822 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 116.1 | 172.1 | -71.9 | -177.3 | 179.3 | 0 | 0 | 106.3 | T122 K126 | T122-E124 PolarHBondContact O-N 2.86Å; E124-K126 PolarHBondContact O-N 3.1Å |
| 125 | K | 82.8 | Confident | 73 | Confident | 200 Ų | 200 | 129.1 Ų | 129.1 | 87% | 0.87 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 123.5 | 178.3 | -69.4 | -179.8 | 179.3 | 176.3 | 0 | 105.9 | K123 I127 | K123-K125 PolarHBondContact O-N 3.28Å; K125-I127 PolarHBondContact O-N 3.06Å |
| 126 | K | 88.5 | Confident | 75 | Confident | 198 Ų | 198 | 124.7 Ų | 124.7 | 86% | 0.861 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 130.4 | 171 | -174.6 | 177.1 | -178.6 | 178.4 | 0 | 108.7 | E124 | E124-K126 PolarHBondContact O-N 3.1Š|
| 127 | I | 87.5 | Confident | 76.9 | Confident | 113 Ų | 113 | 126.4 Ų | 126.4 | 58% | 0.579 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 124.1 | 177.5 | -60.6 | 175.2 | 0 | 0 | 0 | 107.8 | K125 A131 | K125-I127 PolarHBondContact O-N 3.06Å; I127-A131 HydrophobicContact CG2-CB 3.76Å; I127-A131 WeakPolarHBondContact CG2-O 3.44Å |
| 128 | P | 90.1 | Very high | 79 | Confident | 63 Ų | 63 | 123.2 Ų | 123.2 | 41% | 0.409 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 147.2 | 177.8 | 27.5 | -33.2 | 0 | 0 | 0 | 109.8 | W130 A131 | P128-W130 HydrophobicContact CG-CD2 4.46Å; P128-W130 HydrophobicContact CG-CZ2 4.03Å; P128-W130 PolarHBondContact O-N 3.43Å; P128-A131 HydrophobicContact CG-CB 4.06Å; P128-A131 PolarHBondContact O-N 2.94Å |
| 129 | S | 89.2 | Confident | 81.1 | Confident | 77 Ų | 77 | 123.7 Ų | 123.7 | 54% | 0.538 | 62% | 0.615 | S | S | . | * | G | 310 helix | trans | -61.4 | -16.1 | -171.4 | 57.9 | 0 | 0 | 0 | 0 | 115.4 | K135 | S129-K135 WeakPolarHBondContact O-CD 3.33Š|
| 130 | W | 92.1 | Very high | 83.1 | Confident | 159 Ų | 159 | 125.1 Ų | 125.1 | 60% | 0.602 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -79.3 | -20.6 | 174.4 | 66.9 | -101.7 | 0 | 0 | 0 | 112.7 | P128 N132 L136 | P128-W130 HydrophobicContact CG-CD2 4.46Å; P128-W130 HydrophobicContact CG-CZ2 4.03Å; P128-W130 PolarHBondContact O-N 3.43Å; W130-N132 VanDerWaalsContact C-N 3.35Å; W130-L136 HydrophobicContact CZ3-CD1 4.38Å |
| 131 | A | 90.8 | Very high | 84.9 | Confident | 25 Ų | 25 | 118.2 Ų | 118.2 | 21% | 0.207 | 60% | 0.595 | C | S | . | * | G | 310 helix | trans | -98.2 | 22.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I127 P128 | I127-A131 HydrophobicContact CG2-CB 3.76Å; I127-A131 WeakPolarHBondContact CG2-O 3.44Å; P128-A131 HydrophobicContact CG-CB 4.06Å; P128-A131 PolarHBondContact O-N 2.94Å |
| 132 | N | 90 | Very high | 86.4 | Confident | 78 Ų | 78 | 117.4 Ų | 117.4 | 42% | 0.417 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -86 | 143 | 170.1 | -67.1 | -6.7 | 0 | 0 | 0 | 109.4 | W130 D134 K135 L136 | W130-N132 VanDerWaalsContact C-N 3.35Å; N132-D134 PolarHBondContact O-N 3.11Å; N132-K135 PolarHBondContact O-N 3.45Å; N132-L136 WeakPolarHBondContact O-CB 3.35Å; N132-L136 PolarHBondContact O-N 2.87Å |
| 133 | D | 87 | Confident | 87.8 | Confident | 134 Ų | 134 | 117.6 Ų | 117.6 | 72% | 0.717 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -44.7 | -54.5 | -170.8 | -64.2 | -14 | 0 | 0 | 0 | 114.4 | K135 L136 E137 | D133-K135 VanDerWaalsContact C-N 3.33Å; D133-K135 PolarHBondContact O-N 3Å; D133-L136 PolarHBondContact O-N 3.4Å; D133-E137 WeakPolarHBondContact O-CB 3.49Å; D133-E137 PolarHBondContact O-N 3.29Å |
| 134 | D | 88 | Confident | 88.5 | Confident | 140 Ų | 140 | 114.6 Ų | 114.6 | 75% | 0.749 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -59 | -42.6 | -178.3 | -57.4 | -23.1 | 0 | 0 | 0 | 113.1 | N132 A138 | N132-D134 PolarHBondContact O-N 3.11Å; D134-A138 PolarHBondContact O-N 3.23Å |
| 135 | K | 90.1 | Very high | 88.9 | Confident | 113 Ų | 113 | 114.9 Ų | 114.9 | 49% | 0.491 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -75.5 | -37.3 | -179.5 | -73.4 | 176.5 | 175.3 | -177.2 | 0 | 110.7 | S129 N132 D133 A138 L139 | S129-K135 WeakPolarHBondContact O-CD 3.33Å; N132-K135 PolarHBondContact O-N 3.45Å; D133-K135 VanDerWaalsContact C-N 3.33Å; D133-K135 PolarHBondContact O-N 3Å; K135-A138 PolarHBondContact O-N 3.29Å; K135-L139 VanDerWaalsContact O-CB 3.29Å; K135-L139 WeakPolarHBondContact O-CB 3.04Å; K135-L139 WeakPolarHBondContact O-CG 3.48Å; K135-L139 PolarHBondContact O-N 3.19Å |
| 136 | L | 91.3 | Very high | 88.5 | Confident | 78 Ų | 78 | 107.8 Ų | 107.8 | 41% | 0.408 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 178.9 | -172.9 | 65.6 | 0 | 0 | 0 | 110.6 | W130 N132 D133 L139 H140 | W130-L136 HydrophobicContact CZ3-CD1 4.38Å; N132-L136 WeakPolarHBondContact O-CB 3.35Å; N132-L136 PolarHBondContact O-N 2.87Å; D133-L136 PolarHBondContact O-N 3.4Å; L136-L139 PolarHBondContact O-N 3.44Å; L136-H140 WeakPolarHBondContact O-CB 3.15Å; L136-H140 PolarHBondContact O-N 3.08Å |
| 137 | E | 91.5 | Very high | 87.9 | Confident | 147 Ų | 147 | 101.5 Ų | 101.5 | 69% | 0.687 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.2 | -47 | 176.8 | -172.4 | 176 | -174 | 0 | 0 | 111.5 | D133 L139 H140 A141 | D133-E137 WeakPolarHBondContact O-CB 3.49Å; D133-E137 PolarHBondContact O-N 3.29Å; E137-L139 PolarHBondContact O-N 2.86Å; E137-H140 PolarHBondContact O-N 2.95Å; E137-A141 WeakPolarHBondContact O-CB 3.2Å; E137-A141 PolarHBondContact O-N 2.83Å |
| 138 | A | 90.9 | Very high | 87.3 | Confident | 64 Ų | 64 | 101.1 Ų | 101.1 | 53% | 0.529 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D134 K135 A141 Y142 | D134-A138 PolarHBondContact O-N 3.23Å; K135-A138 PolarHBondContact O-N 3.29Å; A138-A141 PolarHBondContact O-N 3.04Å; A138-Y142 WeakPolarHBondContact O-CB 2.82Å; A138-Y142 PolarHBondContact O-N 3.14Å |
| 139 | L | 89.5 | Confident | 86.6 | Confident | 89 Ų | 89 | 101.7 Ų | 101.7 | 47% | 0.466 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.9 | -37.7 | 177.2 | -72.7 | 172.4 | 0 | 0 | 0 | 111.9 | K135 L136 E137 Y142 Q143 | K135-L139 VanDerWaalsContact O-CB 3.29Å; K135-L139 WeakPolarHBondContact O-CB 3.04Å; K135-L139 WeakPolarHBondContact O-CG 3.48Å; K135-L139 PolarHBondContact O-N 3.19Å; L136-L139 PolarHBondContact O-N 3.44Å; E137-L139 PolarHBondContact O-N 2.86Å; L139-Y142 PolarHBondContact O-N 2.77Å; L139-Q143 WeakPolarHBondContact O-CB 3.32Å; L139-Q143 PolarHBondContact O-N 3.11Å |
| 140 | H | 88.6 | Confident | 85.8 | Confident | 109 Ų | 109 | 103.9 Ų | 103.9 | 51% | 0.505 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.9 | -46 | 175.5 | -179.1 | -111.6 | 0 | 0 | 0 | 111.2 | L136 E137 Y142 Q143 L144 | L136-H140 WeakPolarHBondContact O-CB 3.15Å; L136-H140 PolarHBondContact O-N 3.08Å; E137-H140 PolarHBondContact O-N 2.95Å; H140-Y142 VanDerWaalsContact C-N 3.27Å; H140-Y142 PolarHBondContact O-N 3.43Å; H140-Q143 PolarHBondContact O-N 3.33Å; H140-L144 WeakPolarHBondContact O-CG 3.18Å; H140-L144 PolarHBondContact O-N 3.21Å |
| 141 | A | 89.9 | Confident | 84.9 | Confident | 44 Ų | 44 | 103.1 Ų | 103.1 | 36% | 0.364 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.7 | -34.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E137 A138 K145 | E137-A141 WeakPolarHBondContact O-CB 3.2Å; E137-A141 PolarHBondContact O-N 2.83Å; A138-A141 PolarHBondContact O-N 3.04Å; A141-K145 WeakPolarHBondContact O-CG 3.38Å |
| 142 | Y | 88.9 | Confident | 84.2 | Confident | 156 Ų | 156 | 106 Ų | 106 | 61% | 0.612 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -70.2 | -43.9 | 174 | -179.5 | -94.6 | 0 | 0 | 0 | 112.5 | A138 L139 H140 L144 K145 S146 | A138-Y142 WeakPolarHBondContact O-CB 2.82Å; A138-Y142 PolarHBondContact O-N 3.14Å; L139-Y142 PolarHBondContact O-N 2.77Å; H140-Y142 VanDerWaalsContact C-N 3.27Å; H140-Y142 PolarHBondContact O-N 3.43Å; Y142-L144 VanDerWaalsContact C-N 3.33Å; Y142-L144 PolarHBondContact O-N 3.11Å; Y142-K145 PolarHBondContact O-N 3.43Å; Y142-K145 VanDerWaalsContact O-N 3.11Å; Y142-S146 WeakPolarHBondContact CE1-OG 3.29Å; Y142-S146 PolarHBondContact O-N 3.22Å; Y142-S146 PolarHBondContact O-OG 3.3Å |
| 143 | Q | 88.7 | Confident | 83.4 | Confident | 114 Ų | 114 | 109.5 Ų | 109.5 | 53% | 0.533 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.3 | -39.7 | 178.9 | 164.1 | 156.6 | -7.8 | 0 | 0 | 111.9 | L139 H140 K145 S146 N147 | L139-Q143 WeakPolarHBondContact O-CB 3.32Å; L139-Q143 PolarHBondContact O-N 3.11Å; H140-Q143 PolarHBondContact O-N 3.33Å; Q143-K145 PolarHBondContact O-N 3.32Å; Q143-S146 PolarHBondContact O-N 3.2Å; Q143-N147 HydrophobicContact CG-CB 4.31Å; Q143-N147 VanDerWaalsContact CG-ND2 3.31Å; Q143-N147 WeakPolarHBondContact CG-ND2 3.31Å; Q143-N147 WeakPolarHBondContact O-CB 3.36Å; Q143-N147 PolarHBondContact O-N 2.87Å; Q143-N147 VanDerWaalsContact O-N 3.11Å |
| 144 | L | 86.6 | Confident | 82.2 | Confident | 129 Ų | 129 | 106.6 Ų | 106.6 | 68% | 0.675 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.4 | -29.7 | 175.2 | -73.5 | 170.8 | 0 | 0 | 0 | 113.4 | H140 Y142 | H140-L144 WeakPolarHBondContact O-CG 3.18Å; H140-L144 PolarHBondContact O-N 3.21Å; Y142-L144 VanDerWaalsContact C-N 3.33Å; Y142-L144 PolarHBondContact O-N 3.11Å |
| 145 | K | 85.9 | Confident | 80.9 | Confident | 182 Ų | 182 | 103.4 Ų | 103.4 | 79% | 0.791 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -85.3 | -26.4 | -178.2 | -69.5 | 174 | -176.8 | 175.6 | 0 | 113.8 | A141 Y142 Q143 | A141-K145 WeakPolarHBondContact O-CG 3.38Å; Y142-K145 PolarHBondContact O-N 3.43Å; Y142-K145 VanDerWaalsContact O-N 3.11Å; Q143-K145 PolarHBondContact O-N 3.32Å |
| 146 | S | 73.9 | Confident | 79.5 | Confident | 51 Ų | 51 | 102 Ų | 102 | 36% | 0.357 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -121.5 | -20.3 | -162.3 | 58.1 | 0 | 0 | 0 | 0 | 115.1 | Y142 Q143 | Y142-S146 WeakPolarHBondContact CE1-OG 3.29Å; Y142-S146 PolarHBondContact O-N 3.22Å; Y142-S146 PolarHBondContact O-OG 3.3Å; Q143-S146 PolarHBondContact O-N 3.2Å |
| 147 | N | 74.9 | Confident | 78.3 | Confident | 67 Ų | 67 | 102.9 Ų | 102.9 | 36% | 0.358 | 58% | 0.577 | S | S | . | * | | | trans | -96.1 | 119.6 | -167.3 | -72.9 | -17.7 | 0 | 0 | 0 | 113 | Q143 P149 | Q143-N147 HydrophobicContact CG-CB 4.31Å; Q143-N147 VanDerWaalsContact CG-ND2 3.31Å; Q143-N147 WeakPolarHBondContact CG-ND2 3.31Å; Q143-N147 WeakPolarHBondContact O-CB 3.36Å; Q143-N147 PolarHBondContact O-N 2.87Å; Q143-N147 VanDerWaalsContact O-N 3.11Å; N147-P149 WeakPolarHBondContact O-CD 3.47Å |
| 148 | N | 75.5 | Confident | 77.5 | Confident | 104 Ų | 104 | 101 Ų | 101 | 56% | 0.556 | 58% | 0.578 | S | S | * | * | | | trans | -92.6 | 95.1 | 161.3 | -74.1 | -41.1 | 0 | 0 | 0 | 108.1 | N150 L151 I152 | N148-N150 PolarHBondContact O-N 3.49Å; N148-L151 HydrophobicContact CB-CB 4.19Å; N148-L151 HydrophobicContact CB-CD1 3.74Å; N148-L151 HydrophobicContact CB-CG 3.89Å; N148-L151 PolarHBondContact O-N 2.83Å; N148-I152 PolarHBondContact O-N 3.26Å |
| 149 | P | 75.4 | Confident | 76.9 | Confident | 75 Ų | 75 | 103.8 Ų | 103.8 | 49% | 0.487 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -58.3 | -27.2 | -177.6 | 24.8 | -34.9 | 0 | 0 | 0 | 111.9 | N147 L151 I152 F153 | N147-P149 WeakPolarHBondContact O-CD 3.47Å; P149-L151 VanDerWaalsContact C-N 3.32Å; P149-L151 PolarHBondContact O-N 3.03Å; P149-I152 PolarHBondContact O-N 2.91Å; P149-F153 HydrophobicContact CB-CD2 4.44Å; P149-F153 PolarHBondContact O-N 2.92Å |
| 150 | N | 72.6 | Confident | 76.6 | Confident | 123 Ų | 123 | 105.6 Ų | 105.6 | 66% | 0.658 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.9 | -34.3 | 176.2 | -64.9 | -24.2 | 0 | 0 | 0 | 113.2 | N148 A154 | N148-N150 PolarHBondContact O-N 3.49Å; N150-A154 HydrophobicContact CB-CB 4.13Å; N150-A154 WeakPolarHBondContact O-CB 3.36Å; N150-A154 PolarHBondContact O-N 3.3Å |
| 151 | L | 73.8 | Confident | 76.2 | Confident | 143 Ų | 143 | 107 Ų | 107 | 75% | 0.749 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -75.1 | -32.1 | 177.1 | -68.9 | 176.6 | 0 | 0 | 0 | 112.2 | N148 P149 | N148-L151 HydrophobicContact CB-CB 4.19Å; N148-L151 HydrophobicContact CB-CD1 3.74Å; N148-L151 HydrophobicContact CB-CG 3.89Å; N148-L151 PolarHBondContact O-N 2.83Å; P149-L151 VanDerWaalsContact C-N 3.32Å; P149-L151 PolarHBondContact O-N 3.03Å |
| 152 | I | 75.6 | Confident | 75.6 | Confident | 86 Ų | 86 | 108.2 Ų | 108.2 | 44% | 0.441 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -87.4 | -44.9 | -174.5 | -57.4 | 172.6 | 0 | 0 | 0 | 111 | N148 P149 | N148-I152 PolarHBondContact O-N 3.26Å; P149-I152 PolarHBondContact O-N 2.91Å |
| 153 | F | 72.4 | Confident | 75.1 | Confident | 151 Ų | 151 | 107 Ų | 107 | 66% | 0.662 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | -39.2 | -170.6 | -61.2 | -73.3 | 0 | 0 | 0 | 113.5 | P149 G155 | P149-F153 HydrophobicContact CB-CD2 4.44Å; P149-F153 PolarHBondContact O-N 2.92Å; F153-G155 VanDerWaalsContact C-N 3.29Å; F153-G155 PolarHBondContact O-N 3.48Å |
| 154 | A | 63.2 | Low | 74.7 | Confident | 73 Ų | 73 | 107.1 Ų | 107.1 | 60% | 0.603 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -11.8 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115 | N150 | N150-A154 HydrophobicContact CB-CB 4.13Å; N150-A154 WeakPolarHBondContact O-CB 3.36Å; N150-A154 PolarHBondContact O-N 3.3Å |
| 155 | G | 59 | Low | 74.6 | Confident | 73 Ų | 73 | 105 Ų | 105 | 75% | 0.753 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | -14.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | F153 | F153-G155 VanDerWaalsContact C-N 3.29Å; F153-G155 PolarHBondContact O-N 3.48Å |
| 156 | A | 61.6 | Low | 74.3 | Confident | 83 Ų | 83 | 102.2 Ų | 102.2 | 69% | 0.686 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -24.2 | -164.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 157 | C | 66.2 | Low | 74.2 | Confident | 97 Ų | 97 | 101.5 Ų | 101.5 | 66% | 0.655 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -137.7 | 113.1 | -177.5 | -163.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 158 | P | 74.7 | Confident | 73.6 | Confident | 109 Ų | 109 | 110.5 Ų | 110.5 | 71% | 0.708 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 136.8 | 170.5 | -22.1 | 32.3 | 0 | 0 | 0 | 110.1 | L160 | P158-L160 PolarHBondContact O-N 2.82Š|
| 159 | P | 78.5 | Confident | 72.7 | Confident | 122 Ų | 122 | 113.6 Ų | 113.6 | 79% | 0.792 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 129.3 | 177.3 | 23 | -31.7 | 0 | 0 | 0 | 110.1 | K161 | P159-K161 PolarHBondContact O-N 3.44Š|
| 160 | L | 81.8 | Confident | 72 | Confident | 126 Ų | 126 | 121.4 Ų | 121.4 | 66% | 0.66 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 132.2 | 176.4 | -78.3 | 158.9 | 0 | 0 | 0 | 109.8 | P158 E164 V165 | P158-L160 PolarHBondContact O-N 2.82Å; L160-E164 HydrophobicContact CD2-CB 4.3Å; L160-E164 WeakPolarHBondContact CD2-OE2 3.18Å; L160-V165 HydrophobicContact CB-CG2 3.81Å; L160-V165 HydrophobicContact CD1-CG2 4.28Å |
| 161 | K | 81.9 | Confident | 71.3 | Confident | 140 Ų | 140 | 122.1 Ų | 122.1 | 61% | 0.609 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 144 | 175 | -67 | 178.1 | -179.2 | 172.8 | 0 | 108.7 | P159 K163 E164 V165 | P159-K161 PolarHBondContact O-N 3.44Å; K161-K163 PolarHBondContact O-N 3.01Å; K161-E164 HydrophobicContact CB-CG 4.2Å; K161-E164 PolarHBondContact N-OE2 3.02Å; K161-E164 WeakPolarHBondContact O-CA 3.45Å; K161-E164 WeakPolarHBondContact O-CB 3.42Å; K161-E164 PolarHBondContact O-N 3.35Å; K161-V165 PolarHBondContact O-N 3.36Å |
| 162 | A | 75.9 | Confident | 70.7 | Confident | 69 Ų | 69 | 120.9 Ų | 120.9 | 57% | 0.57 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -54.5 | -31.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E164 V165 F166 | A162-E164 VanDerWaalsContact C-N 3.27Å; A162-E164 PolarHBondContact O-N 3.45Å; A162-V165 PolarHBondContact O-N 2.85Å; A162-F166 HydrophobicContact CB-CD2 4.41Å; A162-F166 WeakPolarHBondContact O-CD2 3.47Å; A162-F166 PolarHBondContact O-N 3.23Å |
| 163 | K | 79.2 | Confident | 69.9 | Low | 129 Ų | 129 | 125.2 Ų | 125.2 | 56% | 0.561 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -63.8 | -28.5 | 174.2 | -65.5 | -175.6 | 176.1 | -176.2 | 0 | 113.2 | K161 G167 E171 | K161-K163 PolarHBondContact O-N 3.01Å; K163-G167 CarbonylContact O-C 3.34Å; K163-G167 WeakPolarHBondContact O-CA 3.49Å; K163-G167 PolarHBondContact O-N 3.32Å; K163-E171 IonicContact NZ-OE1 2.73Å; K163-E171 PolarHBondContact NZ-OE1 3.5Å |
| 164 | E | 81.2 | Confident | 69.1 | Low | 118 Ų | 118 | 126.8 Ų | 126.8 | 55% | 0.551 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -81.9 | -40.4 | 179 | -65.5 | 161.6 | -174.9 | 0 | 0 | 111.2 | L160 K161 A162 | L160-E164 HydrophobicContact CD2-CB 4.3Å; L160-E164 WeakPolarHBondContact CD2-OE2 3.18Å; K161-E164 HydrophobicContact CB-CG 4.2Å; K161-E164 PolarHBondContact N-OE2 3.02Å; K161-E164 WeakPolarHBondContact O-CA 3.45Å; K161-E164 WeakPolarHBondContact O-CB 3.42Å; K161-E164 PolarHBondContact O-N 3.35Å; A162-E164 VanDerWaalsContact C-N 3.27Å; A162-E164 PolarHBondContact O-N 3.45Å |
| 165 | V | 83.8 | Confident | 68.9 | Low | 84 Ų | 84 | 131.9 Ų | 131.9 | 51% | 0.509 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -72.4 | -43.8 | 179.6 | -177.4 | 0 | 0 | 0 | 0 | 112 | L160 K161 A162 | L160-V165 HydrophobicContact CB-CG2 3.81Å; L160-V165 HydrophobicContact CD1-CG2 4.28Å; K161-V165 PolarHBondContact O-N 3.36Å; A162-V165 PolarHBondContact O-N 2.85Å |
| 166 | F | 79.7 | Confident | 69.1 | Low | 124 Ų | 124 | 131.4 Ų | 131.4 | 54% | 0.544 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -106.6 | 4.3 | -172.1 | -57.9 | -71.6 | 0 | 0 | 0 | 114 | A162 R169 | A162-F166 HydrophobicContact CB-CD2 4.41Å; A162-F166 WeakPolarHBondContact O-CD2 3.47Å; A162-F166 PolarHBondContact O-N 3.23Å; F166-R169 HydrophobicContact CB-CG 4.44Å |
| 167 | G | 70.6 | Confident | 69.5 | Low | 36 Ų | 36 | 136 Ų | 136 | 37% | 0.371 | 66% | 0.66 | S | S | . | * | | | trans | 66.5 | -165.5 | -173 | 0 | 0 | 0 | 0 | 0 | 113.2 | K163 R169 | K163-G167 CarbonylContact O-C 3.34Å; K163-G167 WeakPolarHBondContact O-CA 3.49Å; K163-G167 PolarHBondContact O-N 3.32Å; G167-R169 PolarHBondContact O-N 2.77Å |
| 168 | R | 64 | Low | 69.6 | Low | 256 Ų | 256 | 136.1 Ų | 136.1 | 97% | 0.966 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -68.9 | 68.2 | 176 | -66.1 | -169.2 | -161.4 | -154.3 | 4.9 | 111.3 | | |
| 169 | R | 56.8 | Low | 69.1 | Low | 168 Ų | 168 | 133.8 Ų | 133.8 | 63% | 0.634 | 65% | 0.652 | S | S | * | * | | | trans | -66.2 | 132 | 155.8 | -81.7 | -175.4 | 171.6 | 175.8 | -4 | 107.2 | F166 G167 E171 | F166-R169 HydrophobicContact CB-CG 4.44Å; G167-R169 PolarHBondContact O-N 2.77Å; R169-E171 PolarHBondContact O-N 3.23Å |
| 170 | R | 60.2 | Low | 68.7 | Low | 240 Ų | 240 | 133 Ų | 133 | 91% | 0.906 | 65% | 0.645 | S | S | * | * | | | trans | -43.7 | 129.2 | 168.6 | -70.6 | 178.6 | 177.5 | 169.5 | -1.8 | 107 | I172 | R170-I172 PolarHBondContact O-N 3.01Š|
| 171 | E | 57.9 | Low | 68.3 | Low | 138 Ų | 138 | 137.8 Ų | 137.8 | 65% | 0.645 | 65% | 0.654 | S | S | * | * | | | trans | -50.1 | 107.5 | 179.4 | -66 | -179.2 | 158 | 0 | 0 | 107.8 | K163 R169 K173 | K163-E171 IonicContact NZ-OE1 2.73Å; K163-E171 PolarHBondContact NZ-OE1 3.5Å; R169-E171 PolarHBondContact O-N 3.23Å; E171-K173 PolarHBondContact O-N 3.31Å |
| 172 | I | 61.6 | Low | 68.1 | Low | 117 Ų | 117 | 139.1 Ų | 139.1 | 60% | 0.6 | 66% | 0.662 | S | S | * | * | | | trans | -66.9 | 98.6 | 167.3 | -56.8 | 173.8 | 0 | 0 | 0 | 102.4 | R170 R174 | R170-I172 PolarHBondContact O-N 3.01Å; I172-R174 HydrophobicContact CB-CG 4.4Å; I172-R174 HydrophobicContact CG2-CG 3.82Å; I172-R174 PolarHBondContact O-N 3.28Å |
| 173 | K | 58.6 | Low | 67.7 | Low | 177 Ų | 177 | 141.8 Ų | 141.8 | 77% | 0.77 | 67% | 0.672 | S | S | * | * | | | trans | -58.5 | 94.6 | 171.7 | -74.9 | -175.3 | 176.2 | -176 | 0 | 106.4 | E171 H175 | E171-K173 PolarHBondContact O-N 3.31Å; K173-H175 PolarHBondContact O-N 3.38Å |
| 174 | R | 55.8 | Low | 67.1 | Low | 183 Ų | 183 | 142 Ų | 142 | 69% | 0.691 | 68% | 0.679 | S | S | * | * | | | trans | -93 | 83.4 | 176.3 | -73.8 | -173.8 | 175.7 | 163.7 | -3.4 | 107.4 | I172 | I172-R174 HydrophobicContact CB-CG 4.4Å; I172-R174 HydrophobicContact CG2-CG 3.82Å; I172-R174 PolarHBondContact O-N 3.28Å |
| 175 | H | 57.7 | Low | 65.9 | Low | 181 Ų | 181 | 146.5 Ų | 146.5 | 84% | 0.838 | 70% | 0.697 | S | S | * | * | | | trans | -123.4 | 60.8 | 161.6 | -47.6 | -33.3 | 0 | 0 | 0 | 106.6 | K173 | K173-H175 PolarHBondContact O-N 3.38Š|
| 176 | S | 64.3 | Low | 64.3 | Low | 63 Ų | 63 | 147.1 Ų | 147.1 | 44% | 0.441 | 71% | 0.705 | S | S | . | * | | | trans | -104.2 | 137.9 | 163.1 | 56 | 0 | 0 | 0 | 0 | 106.9 | S178 A179 | S176-S178 PolarHBondContact O-N 3.12Å; S176-S178 PolarHBondContact OG-OG 3.5Å; S176-A179 PolarHBondContact O-N 3.14Å |
| 177 | E | 68.8 | Low | 62.5 | Low | 180 Ų | 180 | 154.2 Ų | 154.2 | 84% | 0.841 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -53.4 | -20.7 | 178.2 | -67.6 | 168.3 | 165.5 | 0 | 0 | 112.2 | A179 V180 | E177-A179 PolarHBondContact O-N 3.01Å; E177-V180 WeakPolarHBondContact O-CB 3.4Å; E177-V180 WeakPolarHBondContact O-CG2 3.46Å; E177-V180 PolarHBondContact O-N 3.44Å |
| 178 | S | 69.2 | Low | 62.1 | Low | 98 Ų | 98 | 160.2 Ų | 160.2 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -61 | -10.7 | 171.4 | 73.3 | 0 | 0 | 0 | 0 | 115.7 | S176 | S176-S178 PolarHBondContact O-N 3.12Å; S176-S178 PolarHBondContact OG-OG 3.5Å |
| 179 | A | 64.2 | Low | 62 | Low | 61 Ų | 61 | 155.1 Ų | 155.1 | 50% | 0.504 | 75% | 0.747 | S | S | . | * | G | 310 helix | trans | -90.5 | -5.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | S176 E177 | S176-A179 PolarHBondContact O-N 3.14Å; E177-A179 PolarHBondContact O-N 3.01Å |
| 180 | V | 70.2 | Confident | 62.2 | Low | 106 Ų | 106 | 154.4 Ų | 154.4 | 64% | 0.642 | 75% | 0.754 | S | S | * | * | | | trans | -87 | 110.3 | 176.4 | -175 | 0 | 0 | 0 | 0 | 107.9 | E177 | E177-V180 WeakPolarHBondContact O-CB 3.4Å; E177-V180 WeakPolarHBondContact O-CG2 3.46Å; E177-V180 PolarHBondContact O-N 3.44Å |
| 181 | W | 73.1 | Confident | 62.4 | Low | 225 Ų | 225 | 149.4 Ų | 149.4 | 85% | 0.852 | 75% | 0.745 | S | S | * | * | | | trans | -89.9 | 106.2 | 169.6 | -63.8 | 88.6 | 0 | 0 | 0 | 107.6 | T183 | W181-T183 PolarHBondContact O-N 3.44Å; W181-T183 VanDerWaalsContact O-N 3.14Å |
| 182 | E | 78.1 | Confident | 62.6 | Low | 168 Ų | 168 | 150.1 Ų | 150.1 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | | | trans | -66.5 | 110.3 | 166.2 | -69.5 | -171.7 | 169.8 | 0 | 0 | 107.8 | D184 | E182-D184 PolarHBondContact O-N 3.09Š|
| 183 | T | 67.8 | Low | 62.7 | Low | 125 Ų | 125 | 152.3 Ų | 152.3 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | | | trans | -81.1 | 78.8 | 173.3 | 55 | 0 | 0 | 0 | 0 | 108.3 | W181 K185 | W181-T183 PolarHBondContact O-N 3.44Å; W181-T183 VanDerWaalsContact O-N 3.14Å; T183-K185 PolarHBondContact O-N 3.27Å |
| 184 | D | 65.1 | Low | 63 | Low | 135 Ų | 135 | 150.5 Ų | 150.5 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | | | trans | -66.9 | 122.5 | 162.3 | -91.5 | -15.2 | 0 | 0 | 0 | 108.3 | E182 S186 | E182-D184 PolarHBondContact O-N 3.09Å; D184-S186 PolarHBondContact O-N 3.44Å |
| 185 | K | 57.5 | Low | 63.6 | Low | 211 Ų | 211 | 148 Ų | 148 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | | | trans | -72.7 | 71.5 | 177.3 | -64.3 | -179.3 | 179.4 | 179 | 0 | 109.2 | T183 | T183-K185 PolarHBondContact O-N 3.27Š|
| 186 | S | 48.4 | Very low | 64 | Low | 97 Ų | 97 | 145.3 Ų | 145.3 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | | | trans | -129.4 | 75.9 | 175.8 | 51.6 | 0 | 0 | 0 | 0 | 110.8 | D184 | D184-S186 PolarHBondContact O-N 3.44Š|
| 187 | Q | 42 | Very low | 64 | Low | 274 Ų | 274 | 152.7 Ų | 152.7 | 100% | 1.28 | 79% | 0.789 | S | S | * | * | | | trans | -138.1 | 0 | 149.5 | -80.6 | -162.9 | -24 | 0 | 0 | 109 | | |