| 1 | M | 57 | Low | 56.6 | Low | 213 Ų | 213 | 142.1 Ų | 142.1 | 100% | 1.049 | 68% | 0.675 | S | S | * | * | | | | 0 | -46.8 | 0 | -71.7 | -74 | -145.2 | 0 | 0 | 113.8 | K3 L4 | M1-K3 PolarHBondContact O-N 3.42Å; M1-L4 PolarHBondContact O-N 3.2Å |
| 2 | Q | 58.8 | Low | 56.3 | Low | 172 Ų | 172 | 135.1 Ų | 135.1 | 80% | 0.804 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -63.7 | -28.6 | -175.2 | -76.5 | 175.7 | -9.8 | 0 | 0 | 116.3 | L4 H5 | Q2-L4 VanDerWaalsContact C-N 3.28Å; Q2-L4 PolarHBondContact O-N 3.15Å; Q2-H5 PolarHBondContact O-N 3.22Å |
| 3 | K | 56.6 | Low | 55.9 | Low | 189 Ų | 189 | 132 Ų | 132 | 82% | 0.822 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -65.9 | -26.5 | -179.8 | -71.6 | -176.6 | 177.5 | 179.8 | 0 | 113.5 | M1 | M1-K3 PolarHBondContact O-N 3.42Å |
| 4 | L | 58.9 | Low | 55.6 | Low | 123 Ų | 123 | 134.2 Ų | 134.2 | 64% | 0.644 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -76.2 | -31.7 | -180 | -90.6 | 153.4 | 0 | 0 | 0 | 112.9 | M1 Q2 V7 L8 | M1-L4 PolarHBondContact O-N 3.2Å; Q2-L4 VanDerWaalsContact C-N 3.28Å; Q2-L4 PolarHBondContact O-N 3.15Å; L4-V7 PolarHBondContact O-N 2.88Å; L4-L8 PolarHBondContact O-N 2.93Å |
| 5 | H | 53.4 | Low | 55.4 | Low | 137 Ų | 137 | 139.2 Ų | 139.2 | 63% | 0.634 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -67.8 | -41.1 | 178.9 | -110.7 | -92.2 | 0 | 0 | 0 | 112.4 | Q2 V7 L8 D9 | Q2-H5 PolarHBondContact O-N 3.22Å; H5-V7 VanDerWaalsContact C-N 3.31Å; H5-V7 PolarHBondContact O-N 3.17Å; H5-L8 PolarHBondContact O-N 3.11Å; H5-D9 PolarHBondContact O-N 3.13Å |
| 6 | R | 56.9 | Low | 55 | Low | 198 Ų | 198 | 143.9 Ų | 143.9 | 75% | 0.747 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -63.4 | -34.9 | 178.2 | -71.5 | -171.9 | -177.7 | -177.3 | 1.3 | 113 | I10 | R6-I10 WeakPolarHBondContact O-CD1 3.47Å; R6-I10 VanDerWaalsContact O-CG1 3.26Å; R6-I10 WeakPolarHBondContact O-CG1 3.35Å; R6-I10 PolarHBondContact O-N 2.86Å |
| 7 | V | 57.9 | Low | 54.8 | Low | 80 Ų | 80 | 137.8 Ų | 137.8 | 49% | 0.485 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -71.5 | -31.6 | 180 | 177.3 | 0 | 0 | 0 | 0 | 111.9 | L4 H5 K11 | L4-V7 PolarHBondContact O-N 2.88Å; H5-V7 VanDerWaalsContact C-N 3.31Å; H5-V7 PolarHBondContact O-N 3.17Å; V7-K11 PolarHBondContact O-N 2.83Å |
| 8 | L | 57.5 | Low | 54.8 | Low | 110 Ų | 110 | 138.9 Ų | 138.9 | 58% | 0.576 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -73.8 | -38.7 | 177.4 | -70.1 | 171.9 | 0 | 0 | 0 | 112 | L4 H5 K11 A12 | L4-L8 PolarHBondContact O-N 2.93Å; H5-L8 PolarHBondContact O-N 3.11Å; L8-K11 PolarHBondContact O-N 2.92Å; L8-A12 WeakPolarHBondContact O-CB 3.47Å; L8-A12 PolarHBondContact O-N 3.15Å |
| 9 | D | 55.5 | Low | 54.7 | Low | 101 Ų | 101 | 141.9 Ų | 141.9 | 54% | 0.54 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -68.5 | -36.3 | 177.5 | -78 | -26.6 | 0 | 0 | 0 | 113 | H5 A12 T13 | H5-D9 PolarHBondContact O-N 3.13Å; D9-A12 PolarHBondContact O-N 3.1Å; D9-T13 WeakPolarHBondContact O-CG2 3.44Å; D9-T13 PolarHBondContact O-N 3.26Å; D9-T13 VanDerWaalsContact O-N 3.1Å; D9-T13 PolarHBondContact O-OG1 3.05Å |
| 10 | I | 53.7 | Low | 54.7 | Low | 97 Ų | 97 | 139.2 Ų | 139.2 | 50% | 0.497 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -70 | -34.4 | 175.7 | -62.7 | 165.5 | 0 | 0 | 0 | 111.3 | R6 T13 K14 | R6-I10 WeakPolarHBondContact O-CD1 3.47Å; R6-I10 VanDerWaalsContact O-CG1 3.26Å; R6-I10 WeakPolarHBondContact O-CG1 3.35Å; R6-I10 PolarHBondContact O-N 2.86Å; I10-T13 PolarHBondContact O-OG1 2.89Å; I10-K14 PolarHBondContact O-N 2.78Å |
| 11 | K | 56.2 | Low | 54.7 | Low | 143 Ų | 143 | 138.1 Ų | 138.1 | 62% | 0.622 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.9 | -33 | 175.2 | -86.7 | -179.2 | 175.9 | 175.2 | 0 | 112.7 | V7 L8 R15 | V7-K11 PolarHBondContact O-N 2.83Å; L8-K11 PolarHBondContact O-N 2.92Å; K11-R15 PolarHBondContact O-N 3.08Å |
| 12 | A | 52.8 | Low | 54.6 | Low | 58 Ų | 58 | 132 Ų | 132 | 48% | 0.479 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -70.7 | -41.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L8 D9 R15 R16 | L8-A12 WeakPolarHBondContact O-CB 3.47Å; L8-A12 PolarHBondContact O-N 3.15Å; D9-A12 PolarHBondContact O-N 3.1Å; A12-R15 PolarHBondContact O-N 2.72Å; A12-R16 PolarHBondContact O-N 3.38Å |
| 13 | T | 51.1 | Low | 54.4 | Low | 95 Ų | 95 | 131.4 Ų | 131.4 | 58% | 0.583 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70.1 | -37.2 | 178.6 | 50.9 | 0 | 0 | 0 | 0 | 112.6 | D9 I10 R15 R16 G17 | D9-T13 WeakPolarHBondContact O-CG2 3.44Å; D9-T13 PolarHBondContact O-N 3.26Å; D9-T13 VanDerWaalsContact O-N 3.1Å; D9-T13 PolarHBondContact O-OG1 3.05Å; I10-T13 PolarHBondContact O-OG1 2.89Å; T13-R15 VanDerWaalsContact C-N 3.31Å; T13-R15 PolarHBondContact O-N 3.41Å; T13-R16 PolarHBondContact O-N 3.4Å; T13-G17 PolarHBondContact O-N 3.48Å |
| 14 | K | 52.6 | Low | 54.2 | Low | 163 Ų | 163 | 127.9 Ų | 127.9 | 71% | 0.709 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.5 | -29 | 173.8 | -83.2 | -175.9 | 177.1 | 179.1 | 0 | 114 | I10 | I10-K14 PolarHBondContact O-N 2.78Å |
| 15 | R | 52.5 | Low | 53.9 | Low | 209 Ų | 209 | 130.8 Ų | 130.8 | 79% | 0.789 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -79.8 | -26.3 | 175.8 | -76.3 | -172.8 | 170.7 | -173.6 | -1.8 | 113.3 | K11 A12 T13 | K11-R15 PolarHBondContact O-N 3.08Å; A12-R15 PolarHBondContact O-N 2.72Å; T13-R15 VanDerWaalsContact C-N 3.31Å; T13-R15 PolarHBondContact O-N 3.41Å |
| 16 | R | 48.2 | Very low | 53.8 | Low | 215 Ų | 215 | 131.9 Ų | 131.9 | 81% | 0.811 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -75.3 | -36.2 | 177.9 | -118.3 | 177.6 | -179.3 | -179.6 | -0 | 112.9 | A12 T13 K18 | A12-R16 PolarHBondContact O-N 3.38Å; T13-R16 PolarHBondContact O-N 3.4Å; R16-K18 PolarHBondContact O-N 3.31Å |
| 17 | G | 52.1 | Low | 53.6 | Low | 39 Ų | 39 | 125.7 Ų | 125.7 | 40% | 0.402 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -73.2 | -20.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | T13 T20 | T13-G17 PolarHBondContact O-N 3.48Å; G17-T20 PolarHBondContact O-OG1 3.26Å |
| 18 | K | 54.1 | Low | 53.2 | Low | 159 Ų | 159 | 125.9 Ų | 125.9 | 69% | 0.691 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -80.4 | -30.3 | -178.2 | -140.4 | 171.5 | -174.2 | -180 | 0 | 112.8 | R16 | R16-K18 PolarHBondContact O-N 3.31Å |
| 19 | R | 53.8 | Low | 52.9 | Low | 195 Ų | 195 | 125.4 Ų | 125.4 | 74% | 0.736 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -73.3 | -36.4 | 178.3 | -76.5 | -176.4 | 172.5 | 167.6 | -2.2 | 112.5 | F23 | R19-F23 WeakPolarHBondContact O-CD2 3.16Å; R19-F23 PolarHBondContact O-N 3.3Å |
| 20 | T | 54.3 | Low | 52.7 | Low | 88 Ų | 88 | 125.2 Ų | 125.2 | 54% | 0.54 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -72.1 | -31.4 | -179.8 | 45.1 | 0 | 0 | 0 | 0 | 113.1 | G17 L24 | G17-T20 PolarHBondContact O-OG1 3.26Å; T20-L24 PolarHBondContact O-N 3.49Å |
| 21 | L | 55.1 | Low | 52.4 | Low | 117 Ų | 117 | 131.5 Ų | 131.5 | 61% | 0.613 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.8 | -31.8 | 176.8 | -119.7 | 157.6 | 0 | 0 | 0 | 112.9 | L24 R25 | L21-L24 PolarHBondContact O-N 3.44Å; L21-R25 PolarHBondContact O-N 2.79Å; L21-R25 VanDerWaalsContact O-N 3.12Å |
| 22 | D | 54.9 | Low | 52.1 | Low | 84 Ų | 84 | 128.8 Ų | 128.8 | 45% | 0.449 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -72.6 | -28.9 | 176.6 | -75.2 | -25.5 | 0 | 0 | 0 | 112.9 | K26 | D22-K26 WeakPolarHBondContact O-CB 3.41Å; D22-K26 WeakPolarHBondContact O-CG 3.38Å; D22-K26 PolarHBondContact O-N 2.82Å; D22-K26 VanDerWaalsContact O-N 3.15Å |
| 23 | F | 53.3 | Low | 52.2 | Low | 159 Ų | 159 | 135.7 Ų | 135.7 | 70% | 0.697 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -69.6 | -35.3 | 173 | -81.3 | -72 | 0 | 0 | 0 | 112.7 | R19 S27 | R19-F23 WeakPolarHBondContact O-CD2 3.16Å; R19-F23 PolarHBondContact O-N 3.3Å; F23-S27 WeakPolarHBondContact O-CB 3.43Å; F23-S27 PolarHBondContact O-N 3.3Å; F23-S27 PolarHBondContact O-OG 3.23Å |
| 24 | L | 53.6 | Low | 52.1 | Low | 115 Ų | 115 | 135.6 Ų | 135.6 | 60% | 0.602 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -75.3 | -32.8 | 176.7 | -79.9 | 158.6 | 0 | 0 | 0 | 112.7 | T20 L21 S27 S28 | T20-L24 PolarHBondContact O-N 3.49Å; L21-L24 PolarHBondContact O-N 3.44Å; L24-S27 WeakPolarHBondContact CA-OG 3.5Å; L24-S27 PolarHBondContact O-OG 3.49Å; L24-S28 PolarHBondContact O-N 3.27Å; L24-S28 PolarHBondContact O-OG 3.42Å |
| 25 | R | 51.6 | Low | 51.9 | Low | 184 Ų | 184 | 139.6 Ų | 139.6 | 69% | 0.694 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -74 | -34.9 | 177.1 | -164.8 | 177.1 | -116.5 | 174.4 | -3.3 | 112.7 | L21 | L21-R25 PolarHBondContact O-N 2.79Å; L21-R25 VanDerWaalsContact O-N 3.12Å |
| 26 | K | 52.7 | Low | 51.9 | Low | 160 Ų | 160 | 138.6 Ų | 138.6 | 70% | 0.696 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -79.3 | -25.9 | 177.4 | -72.3 | 179.9 | 179.3 | -177.9 | 0 | 114 | D22 T29 | D22-K26 WeakPolarHBondContact O-CB 3.41Å; D22-K26 WeakPolarHBondContact O-CG 3.38Å; D22-K26 PolarHBondContact O-N 2.82Å; D22-K26 VanDerWaalsContact O-N 3.15Å; K26-T29 PolarHBondContact O-OG1 3.43Å |
| 27 | S | 51.9 | Low | 51.7 | Low | 68 Ų | 68 | 137 Ų | 137 | 48% | 0.476 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -79.7 | -20.3 | 175.4 | 47 | 0 | 0 | 0 | 0 | 113.4 | F23 L24 | F23-S27 WeakPolarHBondContact O-CB 3.43Å; F23-S27 PolarHBondContact O-N 3.3Å; F23-S27 PolarHBondContact O-OG 3.23Å; L24-S27 WeakPolarHBondContact CA-OG 3.5Å; L24-S27 PolarHBondContact O-OG 3.49Å |
| 28 | S | 50.5 | Low | 51.3 | Low | 84 Ų | 84 | 147.5 Ų | 147.5 | 59% | 0.587 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -87.2 | -21.4 | 179.5 | -61.8 | 0 | 0 | 0 | 0 | 114.2 | L24 | L24-S28 PolarHBondContact O-N 3.27Å; L24-S28 PolarHBondContact O-OG 3.42Å |
| 29 | T | 50.6 | Low | 50.5 | Low | 100 Ų | 100 | 145.4 Ų | 145.4 | 61% | 0.613 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -88.3 | -11.5 | -179 | 51.3 | 0 | 0 | 0 | 0 | 114 | K26 | K26-T29 PolarHBondContact O-OG1 3.43Š|
| 30 | S | 50.3 | Low | 50.4 | Low | 98 Ų | 98 | 145.6 Ų | 145.6 | 69% | 0.685 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -83.4 | -18.7 | 176.5 | 73.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 31 | R | 48.3 | Very low | 49.8 | Very low | 229 Ų | 229 | 152.4 Ų | 152.4 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -91 | -4.9 | -178.4 | -151.8 | 170.1 | -177 | 172.8 | -0.1 | 114.3 | | |
| 32 | A | 50.8 | Low | 49 | Very low | 86 Ų | 86 | 156.2 Ų | 156.2 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 5.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 33 | K | 54.3 | Low | 48.6 | Very low | 202 Ų | 202 | 157.8 Ų | 157.8 | 88% | 0.878 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | 8.8 | -177.7 | -75.4 | -165.5 | 175.4 | -176.9 | 0 | 116.5 | | |
| 34 | A | 48.2 | Very low | 47.9 | Very low | 93 Ų | 93 | 155.4 Ų | 155.4 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -104.4 | 14.7 | -171 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 35 | R | 50.1 | Low | 47.2 | Very low | 247 Ų | 247 | 153.2 Ų | 153.2 | 93% | 0.932 | 77% | 0.771 | S | S | * | * | | | trans | -129.6 | 80.8 | 177.3 | -83.4 | -177.2 | 166.3 | -177.9 | -4.3 | 111.5 | | |
| 36 | K | 50.5 | Low | 46.6 | Very low | 188 Ų | 188 | 153.3 Ų | 153.3 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | | | trans | -158.2 | 132.4 | 163.1 | -113.3 | 175.1 | -176.8 | -178.4 | 0 | 109.2 | | |
| 37 | H | 45.1 | Very low | 45.9 | Very low | 182 Ų | 182 | 152.5 Ų | 152.5 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | trans | 79.4 | 95.4 | 171.3 | -64.9 | -81.4 | 0 | 0 | 0 | 119.4 | | |
| 38 | R | 42.6 | Very low | 45.7 | Very low | 259 Ų | 259 | 157.4 Ų | 157.4 | 98% | 0.977 | 79% | 0.793 | S | S | * | * | | | | -171.3 | 95.9 | 119 | -115.5 | -178 | 174.3 | -169.6 | -0.9 | 110.5 | | |
| 39 | S | 38.5 | Very low | 45.1 | Very low | 116 Ų | 116 | 158 Ų | 158 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | | | trans | -139.5 | 113.9 | 154 | 165.6 | 0 | 0 | 0 | 0 | 104 | | |
| 40 | K | 51.2 | Low | 44.6 | Very low | 199 Ų | 199 | 164.5 Ų | 164.5 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | | | trans | 170 | 109.3 | 157.4 | -74.5 | -135.2 | -177 | -179.7 | 0 | 108.6 | | |
| 41 | R | 41 | Very low | 44.1 | Very low | 231 Ų | 231 | 167.5 Ų | 167.5 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | | | | 155.4 | 100.9 | 129.4 | -91.7 | -177.4 | -177.1 | 164.4 | 2.1 | 110.1 | V43 | R41-V43 HydrophobicContact CG-CG2 4.48Š|
| 42 | E | 39.6 | Very low | 43.9 | Very low | 196 Ų | 196 | 167 Ų | 167 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | | | trans | -73.2 | 128.1 | 137.8 | -63.2 | -174.8 | 159 | 0 | 0 | 107.3 | | |
| 43 | V | 45.6 | Very low | 43.5 | Very low | 118 Ų | 118 | 174.2 Ų | 174.2 | 72% | 0.715 | 82% | 0.823 | S | S | * | * | | | trans | -146.2 | 128.9 | 154.8 | 179.1 | 0 | 0 | 0 | 0 | 107.6 | R41 | R41-V43 HydrophobicContact CG-CG2 4.48Š|
| 44 | S | 39.9 | Very low | 43 | Very low | 108 Ų | 108 | 170 Ų | 170 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | | | trans | -38.7 | 147.6 | 174.4 | 53.3 | 0 | 0 | 0 | 0 | 119.2 | | |
| 45 | G | 38 | Very low | 42.9 | Very low | 69 Ų | 69 | 172.4 Ų | 172.4 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | | | | 93.9 | 113.7 | 123.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 46 | F | 38.8 | Very low | 42.7 | Very low | 186 Ų | 186 | 169 Ų | 169 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | | | | -172.5 | 120.9 | 124.9 | -125.3 | -88.7 | 0 | 0 | 0 | 111.2 | K48 | F46-K48 HydrophobicContact CD1-CD 4.39Å; F46-K48 HydrophobicContact CD1-CG 4.03Å; F46-K48 HydrophobicContact CE1-CD 4.44Å; F46-K48 VanDerWaalsContact CE1-CE 3.49Å; F46-K48 HydrophobicContact CE1-CG 4.26Å |
| 47 | D | 38.6 | Very low | 42.4 | Very low | 144 Ų | 144 | 167.6 Ų | 167.6 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | | | trans | -92.7 | 130 | 167.2 | -176.2 | 2.7 | 0 | 0 | 0 | 108.5 | | |
| 48 | K | 47.5 | Very low | 42.3 | Very low | 171 Ų | 171 | 167 Ų | 167 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | | | trans | -147.8 | 88.4 | 166.5 | -78.6 | -170.9 | -176 | 178 | 0 | 109.3 | F46 | F46-K48 HydrophobicContact CD1-CD 4.39Å; F46-K48 HydrophobicContact CD1-CG 4.03Å; F46-K48 HydrophobicContact CE1-CD 4.44Å; F46-K48 VanDerWaalsContact CE1-CE 3.49Å; F46-K48 HydrophobicContact CE1-CG 4.26Å |
| 49 | S | 37.6 | Very low | 42.5 | Very low | 97 Ų | 97 | 162.4 Ų | 162.4 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | | | trans | 0.6 | 141.5 | 132.5 | 66.7 | 0 | 0 | 0 | 0 | 118 | | |
| 50 | R | 40.6 | Very low | 42.7 | Very low | 236 Ų | 236 | 165.5 Ų | 165.5 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | | | trans | 88.6 | 104.2 | 134.2 | -162.2 | -174 | -127.2 | -165.1 | 1.7 | 117.8 | | |
| 51 | M | 39.2 | Very low | 42.3 | Very low | 160 Ų | 160 | 159.2 Ų | 159.2 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | | | | -174.7 | 116.1 | 128 | -104.6 | 165.1 | 58.1 | 0 | 0 | 114.5 | | |
| 52 | R | 43.6 | Very low | 42.4 | Very low | 220 Ų | 220 | 153.5 Ų | 153.5 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | | | trans | 66.8 | 112.8 | 135.4 | -59.8 | 179.3 | -178.6 | -148.2 | -0.3 | 118.6 | | |
| 53 | R | 43.1 | Very low | 42.2 | Very low | 237 Ų | 237 | 149.4 Ų | 149.4 | 89% | 0.894 | 78% | 0.784 | S | S | * | * | | | | 45.7 | 135.3 | 69.3 | -70.7 | -168.5 | -168.7 | 134.7 | 0.4 | 112.6 | | |
| 54 | T | 43.9 | Very low | 42.4 | Very low | 112 Ų | 112 | 149.3 Ų | 149.3 | 69% | 0.687 | 79% | 0.786 | S | S | * | * | | | cis | -170.7 | -172.5 | -3.4 | 14.7 | 0 | 0 | 0 | 0 | 104.2 | | |
| 55 | D | 45.3 | Very low | 42.3 | Very low | 144 Ų | 144 | 150.9 Ų | 150.9 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | | | trans | 91.7 | 129.3 | 167.9 | -51.7 | -23.2 | 0 | 0 | 0 | 113.8 | | |
| 56 | E | 45.6 | Very low | 42.4 | Very low | 175 Ų | 175 | 152.7 Ų | 152.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | cis | -161.5 | 128.2 | 17.3 | -104.8 | 160.3 | -166.1 | 0 | 0 | 107.9 | | |
| 57 | Q | 46 | Very low | 42.6 | Very low | 159 Ų | 159 | 152.7 Ų | 152.7 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | | | | 43.8 | 119 | 110.8 | -76.6 | -164.6 | 8.7 | 0 | 0 | 120.1 | | |
| 58 | K | 43 | Very low | 42.7 | Very low | 170 Ų | 170 | 150.9 Ų | 150.9 | 74% | 0.739 | 80% | 0.798 | S | S | * | * | | | trans | 57.8 | 121.4 | 131.8 | -65.8 | 175.9 | 175.7 | 177.4 | 0 | 119.5 | | |
| 59 | L | 46.8 | Very low | 42.3 | Very low | 162 Ų | 162 | 147.3 Ų | 147.3 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | | | | 178.3 | 133.2 | 112.3 | -91.2 | 152.3 | 0 | 0 | 0 | 111.4 | | |
| 60 | M | 42.2 | Very low | 42.7 | Very low | 182 Ų | 182 | 148.5 Ų | 148.5 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | | | trans | -1.6 | 149.7 | 153.9 | -49.2 | -165.7 | 78.2 | 0 | 0 | 118.7 | | |
| 61 | G | 41.4 | Very low | 42.8 | Very low | 66 Ų | 66 | 143.8 Ų | 143.8 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | | | cis | 151.1 | 160.1 | 18.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 62 | A | 43.3 | Very low | 42.9 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | | | trans | 67.1 | 143.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 63 | S | 35.5 | Very low | 42.7 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | | | cis | -170 | 151.7 | -3.6 | 178 | 0 | 0 | 0 | 0 | 106.7 | | |
| 64 | P | 50.6 | Low | 42.5 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | | | trans | -99.8 | 156.9 | 178.6 | 37 | -29.5 | 0 | 0 | 0 | 113.3 | | |
| 65 | C | 38.4 | Very low | 42.6 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 95% | 0.946 | 81% | 0.811 | S | S | * | * | | | trans | -135.4 | 142.1 | 166.5 | -89.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 66 | S | 40 | Very low | 42.3 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | -103.6 | 152.8 | -167.7 | 44.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 67 | E | 42.6 | Very low | 42.6 | Very low | 185 Ų | 185 | 135.4 Ų | 135.4 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | | | trans | 174.6 | 112.5 | 142.1 | -108.8 | 178.3 | 137.6 | 0 | 0 | 108.1 | | |
| 68 | S | 40.4 | Very low | 42.9 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | | | | 113.4 | 119 | 70 | 56.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 69 | A | 38.7 | Very low | 43.3 | Very low | 97 Ų | 97 | 129.5 Ų | 129.5 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | | | trans | -102.4 | 166.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 70 | P | 46.1 | Very low | 43.2 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | | | trans | -139.6 | 128.8 | 133.4 | 30.6 | -12.9 | 0 | 0 | 0 | 115.2 | | |
| 71 | T | 42.7 | Very low | 43.5 | Very low | 137 Ų | 137 | 124.8 Ų | 124.8 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | | | trans | 8.2 | 125.6 | 136.9 | 57.8 | 0 | 0 | 0 | 0 | 120 | | |
| 72 | S | 41.3 | Very low | 43.8 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | | | trans | -165.4 | 123.9 | 135.9 | -174.4 | 0 | 0 | 0 | 0 | 113 | | |
| 73 | S | 40.4 | Very low | 44.2 | Very low | 98 Ų | 98 | 125.6 Ų | 125.6 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | | | trans | 64.9 | 89.5 | 153.6 | -148 | 0 | 0 | 0 | 0 | 120.1 | R75 | S73-R75 PolarHBondContact O-N 3.21Š|
| 74 | R | 38.9 | Very low | 44.9 | Very low | 256 Ų | 256 | 123.5 Ų | 123.5 | 97% | 0.966 | 72% | 0.715 | S | S | * | * | | | trans | -64.6 | 107.1 | 152.4 | -86 | -179.1 | 169.5 | -159.3 | -2.1 | 109.4 | | |
| 75 | R | 45.1 | Very low | 45.2 | Very low | 232 Ų | 232 | 121.1 Ų | 121.1 | 88% | 0.875 | 70% | 0.698 | S | S | * | * | | | trans | -85.5 | 123 | 156.9 | -77.8 | -176.2 | 175.2 | -178.7 | -0.9 | 108.7 | S73 | S73-R75 PolarHBondContact O-N 3.21Š|
| 76 | S | 39.8 | Very low | 45.8 | Very low | 62 Ų | 62 | 121.9 Ų | 121.9 | 43% | 0.434 | 69% | 0.686 | S | S | . | * | | | trans | -66.6 | 139.9 | 175.3 | 57.7 | 0 | 0 | 0 | 0 | 110.6 | T78 | S76-T78 PolarHBondContact O-N 3.44Å; S76-T78 PolarHBondContact OG-OG1 3.32Å |
| 77 | P | 52 | Low | 46.5 | Very low | 105 Ų | 105 | 122.9 Ų | 122.9 | 68% | 0.682 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -1.3 | -177.1 | 26.2 | -32.6 | 0 | 0 | 0 | 114.4 | | |
| 78 | T | 52.5 | Low | 47.1 | Very low | 90 Ų | 90 | 120.8 Ų | 120.8 | 55% | 0.552 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -24.1 | -177.4 | 25.7 | 0 | 0 | 0 | 0 | 114.9 | S76 | S76-T78 PolarHBondContact O-N 3.44Å; S76-T78 PolarHBondContact OG-OG1 3.32Å |
| 79 | N | 50.1 | Low | 47.7 | Very low | 116 Ų | 116 | 122.3 Ų | 122.3 | 62% | 0.62 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -83.9 | -12.4 | -178.3 | -70.6 | -16.1 | 0 | 0 | 0 | 113.9 | | |
| 80 | L | 45.9 | Very low | 48.5 | Very low | 138 Ų | 138 | 122.1 Ų | 122.1 | 72% | 0.723 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -81.2 | -23.6 | 176 | -72.8 | 167.9 | 0 | 0 | 0 | 112.6 | S84 | L80-S84 PolarHBondContact O-N 2.91Å |
| 81 | I | 47.1 | Very low | 48.8 | Very low | 107 Ų | 107 | 122 Ų | 122 | 55% | 0.549 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -76.7 | -40 | -177.3 | -57.3 | 174.3 | 0 | 0 | 0 | 110.9 | A83 S84 V85 | I81-A83 PolarHBondContact O-N 3.28Å; I81-S84 PolarHBondContact O-N 3.2Å; I81-S84 PolarHBondContact O-OG 3.08Å; I81-V85 WeakPolarHBondContact O-CG2 3.41Å; I81-V85 PolarHBondContact O-N 3Å |
| 82 | M | 48.7 | Very low | 49.3 | Very low | 135 Ų | 135 | 118.2 Ų | 118.2 | 67% | 0.665 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -71.6 | -29.2 | 179 | -69.8 | -154.1 | -67.5 | 0 | 0 | 113.3 | F86 | M82-F86 PolarHBondContact O-N 3.12Å |
| 83 | A | 51.7 | Low | 49.8 | Very low | 59 Ų | 59 | 115.5 Ų | 115.5 | 49% | 0.488 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -69.9 | -36.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I81 F86 E87 | I81-A83 PolarHBondContact O-N 3.28Å; A83-F86 PolarHBondContact O-N 3.44Å; A83-E87 PolarHBondContact O-N 3.35Å |
| 84 | S | 50.5 | Low | 50.5 | Low | 65 Ų | 65 | 116.8 Ų | 116.8 | 46% | 0.455 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -71.6 | -34.6 | 178.3 | 86.9 | 0 | 0 | 0 | 0 | 112.6 | L80 I81 F86 E88 | L80-S84 PolarHBondContact O-N 2.91Å; I81-S84 PolarHBondContact O-N 3.2Å; I81-S84 PolarHBondContact O-OG 3.08Å; S84-F86 VanDerWaalsContact C-N 3.34Å; S84-E88 PolarHBondContact O-N 3.01Å |
| 85 | V | 55.4 | Low | 51.1 | Low | 67 Ų | 67 | 107.9 Ų | 107.9 | 41% | 0.406 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70.2 | -31.4 | 177.9 | 177.4 | 0 | 0 | 0 | 0 | 111.7 | I81 Q89 | I81-V85 WeakPolarHBondContact O-CG2 3.41Å; I81-V85 PolarHBondContact O-N 3Å; V85-Q89 PolarHBondContact O-N 2.95Å |
| 86 | F | 52.8 | Low | 51.5 | Low | 157 Ų | 157 | 104.5 Ų | 104.5 | 69% | 0.689 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -76 | -37.8 | 176.5 | -105.4 | -87.7 | 0 | 0 | 0 | 113.2 | M82 A83 S84 E88 Q89 V90 | M82-F86 PolarHBondContact O-N 3.12Å; A83-F86 PolarHBondContact O-N 3.44Å; S84-F86 VanDerWaalsContact C-N 3.34Å; F86-E88 VanDerWaalsContact C-N 3.28Å; F86-E88 PolarHBondContact O-N 2.91Å; F86-Q89 PolarHBondContact O-N 3.42Å; F86-V90 WeakPolarHBondContact O-CG2 3.45Å; F86-V90 PolarHBondContact O-N 2.91Å |
| 87 | E | 54 | Low | 52.2 | Low | 128 Ų | 128 | 109 Ų | 109 | 60% | 0.598 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.8 | -30.5 | 174.3 | -86.7 | -166.5 | 149.7 | 0 | 0 | 112.9 | A83 K91 | A83-E87 PolarHBondContact O-N 3.35Å; E87-K91 PolarHBondContact O-N 3.35Å |
| 88 | E | 54.2 | Low | 52 | Low | 141 Ų | 141 | 107.8 Ų | 107.8 | 66% | 0.659 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -71 | -36.2 | 179.1 | -156.5 | 176 | -177.6 | 0 | 0 | 112.2 | S84 F86 A92 | S84-E88 PolarHBondContact O-N 3.01Å; F86-E88 VanDerWaalsContact C-N 3.28Å; F86-E88 PolarHBondContact O-N 2.91Å; E88-A92 WeakPolarHBondContact O-CB 3.45Å; E88-A92 PolarHBondContact O-N 3.32Å; E88-A92 VanDerWaalsContact O-N 3.12Å |
| 89 | Q | 52.9 | Low | 51.7 | Low | 138 Ų | 138 | 110.4 Ų | 110.4 | 65% | 0.645 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -73.7 | -33.6 | 176.8 | -70.5 | -161.2 | 41.9 | 0 | 0 | 113.4 | V85 F86 A92 A93 | V85-Q89 PolarHBondContact O-N 2.95Å; F86-Q89 PolarHBondContact O-N 3.42Å; Q89-A92 PolarHBondContact O-N 2.91Å; Q89-A93 PolarHBondContact O-N 3.1Å |
| 90 | V | 55.9 | Low | 51.6 | Low | 93 Ų | 93 | 113 Ų | 113 | 56% | 0.564 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69.6 | -40.2 | 176.8 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | F86 A92 A93 E94 | F86-V90 WeakPolarHBondContact O-CG2 3.45Å; F86-V90 PolarHBondContact O-N 2.91Å; V90-A92 PolarHBondContact O-N 3.22Å; V90-A93 PolarHBondContact O-N 3.48Å; V90-E94 PolarHBondContact O-N 3.35Å |
| 91 | K | 53.5 | Low | 51.6 | Low | 119 Ų | 119 | 116.1 Ų | 116.1 | 52% | 0.517 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68 | -31.4 | 174.9 | -75.5 | 175.7 | 178.8 | 169.3 | 0 | 113.2 | E87 A93 E94 N95 | E87-K91 PolarHBondContact O-N 3.35Å; K91-A93 VanDerWaalsContact C-N 3.35Å; K91-E94 PolarHBondContact O-N 3.43Å; K91-N95 PolarHBondContact O-N 3.48Å |
| 92 | A | 52.5 | Low | 51.5 | Low | 57 Ų | 57 | 119 Ų | 119 | 47% | 0.471 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69.1 | -29.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E88 Q89 V90 | E88-A92 WeakPolarHBondContact O-CB 3.45Å; E88-A92 PolarHBondContact O-N 3.32Å; E88-A92 VanDerWaalsContact O-N 3.12Å; Q89-A92 PolarHBondContact O-N 2.91Å; V90-A92 PolarHBondContact O-N 3.22Å |
| 93 | A | 52.1 | Low | 51.3 | Low | 63 Ų | 63 | 118 Ų | 118 | 52% | 0.521 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -76.6 | -32.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q89 V90 K91 | Q89-A93 PolarHBondContact O-N 3.1Å; V90-A93 PolarHBondContact O-N 3.48Å; K91-A93 VanDerWaalsContact C-N 3.35Å |
| 94 | E | 54.8 | Low | 51 | Low | 125 Ų | 125 | 119.2 Ų | 119.2 | 58% | 0.584 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -74.1 | -38.6 | 177 | -112.1 | -177.3 | 160.8 | 0 | 0 | 112.9 | V90 K91 K96 K97 I98 | V90-E94 PolarHBondContact O-N 3.35Å; K91-E94 PolarHBondContact O-N 3.43Å; E94-K96 VanDerWaalsContact C-N 3.25Å; E94-K96 PolarHBondContact O-N 3.31Å; E94-K97 PolarHBondContact O-N 2.85Å; E94-I98 PolarHBondContact O-N 2.98Å |
| 95 | N | 51.7 | Low | 50.5 | Low | 69 Ų | 69 | 120.3 Ų | 120.3 | 37% | 0.369 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.1 | -29.6 | 176.8 | -87.1 | -25.3 | 0 | 0 | 0 | 112.9 | K91 K97 I98 Q99 Q159 | K91-N95 PolarHBondContact O-N 3.48Å; N95-K97 VanDerWaalsContact C-N 3.31Å; N95-K97 PolarHBondContact O-N 3.01Å; N95-I98 PolarHBondContact O-N 2.97Å; N95-Q99 PolarHBondContact O-N 3.07Å; N95-Q159 PolarHBondContact ND2-NE2 3.34Å; N95-Q159 PolarHBondContact OD1-NE2 2.95Å |
| 96 | K | 54.2 | Low | 49.6 | Very low | 160 Ų | 160 | 120.8 Ų | 120.8 | 70% | 0.696 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.4 | -24.2 | 173.3 | -76.7 | -176.5 | 178.8 | 178.9 | 0 | 113.7 | E94 | E94-K96 VanDerWaalsContact C-N 3.25Å; E94-K96 PolarHBondContact O-N 3.31Å |
| 97 | K | 53.4 | Low | 49 | Very low | 157 Ų | 157 | 122.9 Ų | 122.9 | 68% | 0.683 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -81.1 | -31.9 | 173.7 | -81.9 | -178.7 | 176.6 | 176.8 | 0 | 112.2 | E94 N95 | E94-K97 PolarHBondContact O-N 2.85Å; N95-K97 VanDerWaalsContact C-N 3.31Å; N95-K97 PolarHBondContact O-N 3.01Å |
| 98 | I | 48.1 | Very low | 48.3 | Very low | 80 Ų | 80 | 125 Ų | 125 | 41% | 0.41 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -78.7 | -36.7 | -179 | -61.9 | 168.8 | 0 | 0 | 0 | 110.8 | E94 N95 K100 R101 F102 | E94-I98 PolarHBondContact O-N 2.98Å; N95-I98 PolarHBondContact O-N 2.97Å; I98-K100 VanDerWaalsContact C-N 3.26Å; I98-K100 PolarHBondContact O-N 3.22Å; I98-R101 PolarHBondContact O-N 2.99Å; I98-F102 HydrophobicContact CG2-CD2 3.74Å; I98-F102 HydrophobicContact CG2-CE2 3.78Å; I98-F102 PolarHBondContact O-N 3.46Å |
| 99 | Q | 46.7 | Very low | 47.8 | Very low | 145 Ų | 145 | 123.4 Ų | 123.4 | 68% | 0.678 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -64.5 | -29.4 | 176.5 | -142.5 | 172.9 | 24.3 | 0 | 0 | 112.9 | N95 R101 T103 | N95-Q99 PolarHBondContact O-N 3.07Å; Q99-R101 VanDerWaalsContact C-N 3.35Å; Q99-T103 PolarHBondContact O-OG1 3.28Å |
| 100 | K | 47.4 | Very low | 47.3 | Very low | 171 Ų | 171 | 122.7 Ų | 122.7 | 74% | 0.743 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -74.8 | -17.6 | 171.8 | -79.4 | -172.4 | 175 | -173 | 0 | 114.4 | I98 | I98-K100 VanDerWaalsContact C-N 3.26Å; I98-K100 PolarHBondContact O-N 3.22Å |
| 101 | R | 46.6 | Very low | 46.2 | Very low | 203 Ų | 203 | 122.1 Ų | 122.1 | 77% | 0.766 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -91.9 | -26.6 | 178.4 | -73 | -175.8 | 175.6 | -169.4 | -1.8 | 112.9 | I98 Q99 | I98-R101 PolarHBondContact O-N 2.99Å; Q99-R101 VanDerWaalsContact C-N 3.35Å |
| 102 | F | 43.8 | Very low | 45.7 | Very low | 166 Ų | 166 | 124.9 Ų | 124.9 | 73% | 0.728 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -85.7 | -20.2 | 178.3 | -84.9 | -84.2 | 0 | 0 | 0 | 114.2 | I98 A104 | I98-F102 HydrophobicContact CG2-CD2 3.74Å; I98-F102 HydrophobicContact CG2-CE2 3.78Å; I98-F102 PolarHBondContact O-N 3.46Å; F102-A104 VanDerWaalsContact C-N 3.32Å |
| 103 | T | 45 | Very low | 45.1 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 71% | 0.712 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -10.1 | 171.8 | 50.1 | 0 | 0 | 0 | 0 | 113.8 | Q99 | Q99-T103 PolarHBondContact O-OG1 3.28Š|
| 104 | A | 46.2 | Very low | 44.3 | Very low | 84 Ų | 84 | 136 Ų | 136 | 69% | 0.694 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 7.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | F102 | F102-A104 VanDerWaalsContact C-N 3.32Š|
| 105 | S | 40.2 | Very low | 43.6 | Very low | 88 Ų | 88 | 138.9 Ų | 138.9 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | | | trans | -124 | 50.1 | 178.2 | -158.7 | 0 | 0 | 0 | 0 | 111.3 | K107 | S105-K107 PolarHBondContact O-N 3.21Š|
| 106 | G | 35.5 | Very low | 43.3 | Very low | 77 Ų | 77 | 141.5 Ų | 141.5 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | | | trans | -79.1 | 67 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q108 | G106-Q108 PolarHBondContact O-N 3.37Å; G106-Q108 VanDerWaalsContact O-N 3.13Å |
| 107 | K | 41.2 | Very low | 42.3 | Very low | 200 Ų | 200 | 143 Ų | 143 | 87% | 0.87 | 76% | 0.758 | S | S | * | * | | | trans | -74.9 | 99.2 | 166.3 | -76.2 | -168.3 | 177.4 | -172.5 | 0 | 108.8 | S105 | S105-K107 PolarHBondContact O-N 3.21Š|
| 108 | Q | 38.1 | Very low | 41.6 | Very low | 172 Ų | 172 | 144.5 Ų | 144.5 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 129.7 | 172.4 | -170.6 | 175.7 | 6.5 | 0 | 0 | 111.7 | G106 | G106-Q108 PolarHBondContact O-N 3.37Å; G106-Q108 VanDerWaalsContact O-N 3.13Å |
| 109 | P | 43.4 | Very low | 40.8 | Very low | 108 Ų | 108 | 146.1 Ų | 146.1 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 146.1 | 168.6 | 29.1 | -31.1 | 0 | 0 | 0 | 109.8 | A111 | P109-A111 PolarHBondContact O-N 3.03Š|
| 110 | P | 42 | Very low | 40.3 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 130.4 | -170.6 | 27.5 | -32.9 | 0 | 0 | 0 | 111.2 | L112 | P110-L112 PolarHBondContact O-N 3.18Š|
| 111 | A | 33.8 | Very low | 39.6 | Very low | 81 Ų | 81 | 144 Ų | 144 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | | | trans | -66.2 | 115.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | P109 N113 | P109-A111 PolarHBondContact O-N 3.03Å; A111-N113 PolarHBondContact O-N 2.95Å |
| 112 | L | 42.1 | Very low | 39.1 | Very low | 178 Ų | 178 | 138.2 Ų | 138.2 | 93% | 0.932 | 79% | 0.792 | S | S | * | * | | | trans | -74.8 | 113 | 169.5 | -85 | 166.6 | 0 | 0 | 0 | 108.7 | P110 | P110-L112 PolarHBondContact O-N 3.18Š|
| 113 | N | 40.8 | Very low | 38.9 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -62.7 | 146.3 | -179.8 | -78.5 | -35.2 | 0 | 0 | 0 | 112.8 | A111 | A111-N113 PolarHBondContact O-N 2.95Š|
| 114 | K | 34.7 | Very low | 38.6 | Very low | 201 Ų | 201 | 141.8 Ų | 141.8 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -52.1 | 129.6 | 168.2 | -60.9 | 167.5 | 176.8 | 176 | 0 | 110.8 | | |
| 115 | E | 41.4 | Very low | 38.5 | Very low | 185 Ų | 185 | 146.8 Ų | 146.8 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | | | trans | -148.5 | 135.1 | 147.3 | -77.4 | -159.7 | 130.7 | 0 | 0 | 111.9 | | |
| 116 | S | 43.7 | Very low | 38.5 | Very low | 123 Ų | 123 | 147 Ų | 147 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | | | trans | 78.8 | 107.2 | 152.8 | 70.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 117 | E | 34.8 | Very low | 39 | Very low | 192 Ų | 192 | 148.9 Ų | 148.9 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | | | trans | -61.6 | 138.9 | 163.2 | -57.2 | 171.7 | 141.2 | 0 | 0 | 110.9 | | |
| 118 | Q | 38.5 | Very low | 38.9 | Very low | 189 Ų | 189 | 148 Ų | 148 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | | | trans | -143.6 | 110.7 | 147.9 | -131.7 | 174 | 19.7 | 0 | 0 | 109.2 | V120 | Q118-V120 PolarHBondContact O-N 3.02Š|
| 119 | S | 30.6 | Very low | 38.8 | Very low | 113 Ų | 113 | 147.4 Ų | 147.4 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | | | trans | -65.8 | 121.2 | 175.5 | 47.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 120 | V | 36.4 | Very low | 38.8 | Very low | 128 Ų | 128 | 149.3 Ų | 149.3 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | | | trans | -139.1 | 107 | 156.2 | -179 | 0 | 0 | 0 | 0 | 107.4 | Q118 A122 | Q118-V120 PolarHBondContact O-N 3.02Å; V120-A122 PolarHBondContact O-N 3.31Å |
| 121 | T | 31.9 | Very low | 38.8 | Very low | 143 Ų | 143 | 148.5 Ų | 148.5 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | | | trans | -66.8 | 111.4 | 169.3 | 45.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 122 | A | 36.9 | Very low | 39.2 | Very low | 82 Ų | 82 | 149.6 Ų | 149.6 | 68% | 0.678 | 81% | 0.813 | S | S | * | * | | | trans | -155.8 | 107.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | V120 | V120-A122 PolarHBondContact O-N 3.31Š|
| 123 | D | 38.8 | Very low | 39.5 | Very low | 158 Ų | 158 | 146.9 Ų | 146.9 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | | | trans | 57 | 119 | 157 | -67.5 | -27.2 | 0 | 0 | 0 | 120.3 | E125 | D123-E125 PolarHBondContact O-N 3.41Š|
| 124 | E | 40.2 | Very low | 40 | Very low | 199 Ų | 199 | 149.7 Ų | 149.7 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | | | trans | -52.4 | 94.8 | 160.7 | -71.5 | -159 | 137.2 | 0 | 0 | 111.6 | S126 | E124-S126 PolarHBondContact O-N 3.01Š|
| 125 | E | 42.9 | Very low | 40.8 | Very low | 189 Ų | 189 | 146.2 Ų | 146.2 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | | | trans | -87.7 | 93.7 | 153.2 | -82.2 | -171.1 | 148.4 | 0 | 0 | 107.9 | D123 | D123-E125 PolarHBondContact O-N 3.41Š|
| 126 | S | 40.5 | Very low | 41.3 | Very low | 92 Ų | 92 | 142 Ų | 142 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | | | trans | -41.6 | 137 | 165.2 | 66.4 | 0 | 0 | 0 | 0 | 109.8 | E124 M128 | E124-S126 PolarHBondContact O-N 3.01Å; S126-M128 PolarHBondContact O-N 3.06Å |
| 127 | P | 45.3 | Very low | 41.7 | Very low | 118 Ų | 118 | 139.3 Ų | 139.3 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | | | trans | -56.5 | 115.6 | 174.3 | 24.1 | -31.6 | 0 | 0 | 0 | 107.3 | H129 | P127-H129 PolarHBondContact O-N 2.86Š|
| 128 | M | 39.8 | Very low | 42.8 | Very low | 182 Ų | 182 | 139.1 Ų | 139.1 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | | | trans | -58.2 | 93.6 | 172.8 | -107 | -170.4 | 179.4 | 0 | 0 | 107.3 | S126 I130 | S126-M128 PolarHBondContact O-N 3.06Å; M128-I130 PolarHBondContact O-N 3.07Å |
| 129 | H | 37.3 | Very low | 43.7 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 73% | 0.731 | 76% | 0.755 | S | S | * | * | | | trans | -66.7 | 101 | 171.8 | -151.7 | -86.4 | 0 | 0 | 0 | 105.1 | P127 T131 | P127-H129 PolarHBondContact O-N 2.86Å; H129-T131 PolarHBondContact O-N 3.22Å; H129-T131 PolarHBondContact O-OG1 3.27Å |
| 130 | I | 42.3 | Very low | 45 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | | | trans | -69.9 | 85.7 | 172.2 | -60.7 | 173.6 | 0 | 0 | 0 | 105.9 | M128 C132 | M128-I130 PolarHBondContact O-N 3.07Å; I130-C132 PolarHBondContact O-N 3.02Å; I130-C132 VanDerWaalsContact O-N 3.07Å |
| 131 | T | 42.2 | Very low | 45.9 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 66% | 0.656 | 73% | 0.732 | S | S | * | * | | | trans | -75.5 | 97.3 | 174.4 | -29.5 | 0 | 0 | 0 | 0 | 107 | H129 S133 | H129-T131 PolarHBondContact O-N 3.22Å; H129-T131 PolarHBondContact O-OG1 3.27Å; T131-S133 VanDerWaalsContact C-N 3.34Å; T131-S133 PolarHBondContact O-N 2.84Å |
| 132 | C | 42.7 | Very low | 47.1 | Very low | 104 Ų | 104 | 134.2 Ų | 134.2 | 70% | 0.703 | 72% | 0.721 | S | S | * | * | | | trans | -59.1 | 96.3 | 170.6 | -74.5 | 0 | 0 | 0 | 0 | 109.2 | I130 R134 | I130-C132 PolarHBondContact O-N 3.02Å; I130-C132 VanDerWaalsContact O-N 3.07Å; C132-R134 PolarHBondContact O-N 2.95Å |
| 133 | S | 48.7 | Very low | 48.2 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 84% | 0.839 | 71% | 0.709 | S | S | * | * | | | trans | -79.1 | 24 | -176.9 | 36.5 | 0 | 0 | 0 | 0 | 113.6 | T131 | T131-S133 VanDerWaalsContact C-N 3.34Å; T131-S133 PolarHBondContact O-N 2.84Å |
| 134 | R | 51.5 | Low | 49.2 | Very low | 213 Ų | 213 | 132 Ų | 132 | 80% | 0.804 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -120.1 | 126 | 171.5 | -72.6 | -173.6 | 177.8 | -166.8 | -1.4 | 109.1 | C132 V136 | C132-R134 PolarHBondContact O-N 2.95Å; R134-V136 PolarHBondContact O-N 3.3Å |
| 135 | P | 50.9 | Low | 50.1 | Low | 128 Ų | 128 | 125.9 Ų | 125.9 | 83% | 0.831 | 67% | 0.669 | S | S | * | * | | | trans | -60.5 | 108.5 | 169.9 | 25.1 | -30.5 | 0 | 0 | 0 | 107.3 | | |
| 136 | V | 52.5 | Low | 50.9 | Low | 95 Ų | 95 | 118.8 Ų | 118.8 | 58% | 0.576 | 64% | 0.643 | S | S | * | * | | | trans | -57.3 | 119.7 | 166.4 | 175.8 | 0 | 0 | 0 | 0 | 105.2 | R134 K138 D140 | R134-V136 PolarHBondContact O-N 3.3Å; V136-K138 PolarHBondContact O-N 3.09Å; V136-D140 HydrophobicContact CG1-CB 3.51Å |
| 137 | P | 52.1 | Low | 51.9 | Low | 67 Ų | 67 | 119.5 Ų | 119.5 | 44% | 0.435 | 64% | 0.637 | S | S | . | * | | | trans | -57.6 | 136.2 | 178.7 | 25.9 | -32.7 | 0 | 0 | 0 | 107.1 | T139 D140 | P137-T139 WeakPolarHBondContact CB-OG1 3.42Å; P137-T139 PolarHBondContact O-N 3.2Å; P137-D140 HydrophobicContact CG-CB 4.38Å; P137-D140 PolarHBondContact O-N 3.41Å |
| 138 | K | 57.4 | Low | 52.6 | Low | 189 Ų | 189 | 117.3 Ų | 117.3 | 82% | 0.822 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -53.4 | -15.5 | -177.4 | -67.2 | -178.8 | 178.6 | 179 | 0 | 113.1 | V136 H142 | V136-K138 PolarHBondContact O-N 3.09Å; K138-H142 PolarHBondContact O-CD2 3.35Å |
| 139 | T | 57 | Low | 53.4 | Low | 100 Ų | 100 | 115 Ų | 115 | 61% | 0.613 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.5 | -28.4 | 172.9 | 56.4 | 0 | 0 | 0 | 0 | 114.4 | P137 A143 | P137-T139 WeakPolarHBondContact CB-OG1 3.42Å; P137-T139 PolarHBondContact O-N 3.2Å; T139-A143 PolarHBondContact O-N 3.04Å |
| 140 | D | 57.4 | Low | 54.3 | Low | 88 Ų | 88 | 114 Ų | 114 | 47% | 0.471 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -81.3 | -26 | -178.8 | -85.2 | -11.3 | 0 | 0 | 0 | 112.7 | V136 P137 A143 Y144 | V136-D140 HydrophobicContact CG1-CB 3.51Å; P137-D140 HydrophobicContact CG-CB 4.38Å; P137-D140 PolarHBondContact O-N 3.41Å; D140-A143 PolarHBondContact O-N 3.43Å; D140-Y144 WeakPolarHBondContact O-CB 3.39Å; D140-Y144 PolarHBondContact O-N 2.85Å |
| 141 | K | 55.7 | Low | 54.9 | Low | 142 Ų | 142 | 114.1 Ų | 114.1 | 62% | 0.617 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.2 | -42.4 | 176.3 | -166.9 | 175.1 | -180 | -177.2 | 0 | 111.1 | Y144 D145 | K141-Y144 PolarHBondContact O-N 3.07Å; K141-D145 WeakPolarHBondContact O-CB 3.34Å; K141-D145 VanDerWaalsContact O-CG 3.25Å; K141-D145 PolarHBondContact O-N 3.21Å |
| 142 | H | 57 | Low | 55.3 | Low | 139 Ų | 139 | 113.4 Ų | 113.4 | 64% | 0.644 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.4 | -34 | 175.2 | -68.1 | -60.2 | 0 | 0 | 0 | 113.1 | K138 A146 | K138-H142 PolarHBondContact O-CD2 3.35Å; H142-A146 WeakPolarHBondContact O-CB 3.25Å; H142-A146 PolarHBondContact O-N 3.2Å |
| 143 | A | 60 | Low | 55.7 | Low | 50 Ų | 50 | 109.9 Ų | 109.9 | 41% | 0.413 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.7 | -39.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T139 D140 M147 | T139-A143 PolarHBondContact O-N 3.04Å; D140-A143 PolarHBondContact O-N 3.43Å; A143-M147 WeakPolarHBondContact O-CG 3.48Å; A143-M147 PolarHBondContact O-N 3.2Å |
| 144 | Y | 60.4 | Low | 55.8 | Low | 145 Ų | 145 | 109 Ų | 109 | 57% | 0.569 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.1 | -46.3 | 176.8 | -165.3 | -101.4 | 0 | 0 | 0 | 112 | D140 K141 A146 M147 I148 | D140-Y144 WeakPolarHBondContact O-CB 3.39Å; D140-Y144 PolarHBondContact O-N 2.85Å; K141-Y144 PolarHBondContact O-N 3.07Å; Y144-A146 VanDerWaalsContact C-N 3.32Å; Y144-A146 PolarHBondContact O-N 2.98Å; Y144-M147 HydrophobicContact CD2-CE 3.98Å; Y144-M147 PolarHBondContact O-N 2.8Å; Y144-I148 HydrophobicContact CD1-CD1 3.63Å; Y144-I148 HydrophobicContact CD1-CG1 4.47Å; Y144-I148 HydrophobicContact CE1-CD1 3.29Å; Y144-I148 HydrophobicContact CE1-CG1 4.29Å; Y144-I148 WeakPolarHBondContact O-CG1 3.49Å; Y144-I148 PolarHBondContact O-N 3.39Å |
| 145 | D | 58.8 | Low | 55.9 | Low | 70 Ų | 70 | 106.2 Ų | 106.2 | 37% | 0.374 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64 | -36.9 | 176.7 | -68 | -17.3 | 0 | 0 | 0 | 111.5 | K141 I148 M149 | K141-D145 WeakPolarHBondContact O-CB 3.34Å; K141-D145 VanDerWaalsContact O-CG 3.25Å; K141-D145 PolarHBondContact O-N 3.21Å; D145-I148 PolarHBondContact O-N 2.76Å; D145-M149 WeakPolarHBondContact O-CG 2.82Å; D145-M149 PolarHBondContact O-N 2.79Å |
| 146 | A | 60 | Low | 56 | Low | 40 Ų | 40 | 106.6 Ų | 106.6 | 33% | 0.331 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.4 | -37.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | H142 Y144 H150 | H142-A146 WeakPolarHBondContact O-CB 3.25Å; H142-A146 PolarHBondContact O-N 3.2Å; Y144-A146 VanDerWaalsContact C-N 3.32Å; Y144-A146 PolarHBondContact O-N 2.98Å; A146-H150 PolarHBondContact O-CD2 3.2Å; A146-H150 PolarHBondContact O-N 3.41Å; A146-H150 VanDerWaalsContact O-N 3.08Å |
| 147 | M | 60.2 | Low | 56 | Low | 106 Ų | 106 | 108.1 Ų | 108.1 | 52% | 0.522 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 173.8 | -74.9 | -168 | -46.3 | 0 | 0 | 111.4 | A143 Y144 H150 F151 | A143-M147 WeakPolarHBondContact O-CG 3.48Å; A143-M147 PolarHBondContact O-N 3.2Å; Y144-M147 HydrophobicContact CD2-CE 3.98Å; Y144-M147 PolarHBondContact O-N 2.8Å; M147-H150 WeakPolarHBondContact O-CB 3.22Å; M147-H150 PolarHBondContact O-N 2.95Å; M147-F151 VanDerWaalsContact O-CD2 3.25Å; M147-F151 WeakPolarHBondContact O-CD2 3.47Å; M147-F151 PolarHBondContact O-N 2.97Å |
| 148 | I | 60 | Low | 56 | Low | 73 Ų | 73 | 108.6 Ų | 108.6 | 37% | 0.374 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 178.7 | -67.9 | 174.3 | 0 | 0 | 0 | 111 | Y144 D145 H150 F151 D152 | Y144-I148 HydrophobicContact CD1-CD1 3.63Å; Y144-I148 HydrophobicContact CD1-CG1 4.47Å; Y144-I148 HydrophobicContact CE1-CD1 3.29Å; Y144-I148 HydrophobicContact CE1-CG1 4.29Å; Y144-I148 WeakPolarHBondContact O-CG1 3.49Å; Y144-I148 PolarHBondContact O-N 3.39Å; D145-I148 PolarHBondContact O-N 2.76Å; I148-H150 PolarHBondContact O-N 3.41Å; I148-F151 PolarHBondContact O-N 3.3Å; I148-D152 PolarHBondContact O-N 3.45Å |
| 149 | M | 56.8 | Low | 55.7 | Low | 133 Ų | 133 | 106.3 Ų | 106.3 | 66% | 0.655 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.5 | -31.3 | 174.7 | -72.4 | -171.8 | -67.4 | 0 | 0 | 112.9 | D145 G153 | D145-M149 WeakPolarHBondContact O-CG 2.82Å; D145-M149 PolarHBondContact O-N 2.79Å; M149-G153 PolarHBondContact O-N 2.88Å |
| 150 | H | 57.9 | Low | 55.6 | Low | 137 Ų | 137 | 107.2 Ų | 107.2 | 63% | 0.634 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70 | -33.2 | 171.9 | -94.6 | -72.6 | 0 | 0 | 0 | 112.8 | A146 M147 I148 F154 | A146-H150 PolarHBondContact O-CD2 3.2Å; A146-H150 PolarHBondContact O-N 3.41Å; A146-H150 VanDerWaalsContact O-N 3.08Å; M147-H150 WeakPolarHBondContact O-CB 3.22Å; M147-H150 PolarHBondContact O-N 2.95Å; I148-H150 PolarHBondContact O-N 3.41Å; H150-F154 WeakPolarHBondContact O-CB 3.29Å; H150-F154 WeakPolarHBondContact O-CD2 3.43Å; H150-F154 PolarHBondContact O-N 3.5Å |
| 151 | F | 53.7 | Low | 55.8 | Low | 151 Ų | 151 | 105.3 Ų | 105.3 | 66% | 0.662 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -73 | -40.7 | 175.2 | -86.1 | -76 | 0 | 0 | 0 | 112.6 | M147 I148 F154 Q155 | M147-F151 VanDerWaalsContact O-CD2 3.25Å; M147-F151 WeakPolarHBondContact O-CD2 3.47Å; M147-F151 PolarHBondContact O-N 2.97Å; I148-F151 PolarHBondContact O-N 3.3Å; F151-F154 WeakPolarHBondContact O-CB 3.49Å; F151-F154 PolarHBondContact O-N 3.2Å; F151-Q155 PolarHBondContact O-N 2.99Å; F151-Q155 VanDerWaalsContact O-N 3.07Å |
| 152 | D | 50.6 | Low | 56.1 | Low | 91 Ų | 91 | 104 Ų | 104 | 49% | 0.487 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.8 | -35.6 | 173.5 | -85.9 | -12.5 | 0 | 0 | 0 | 112.1 | I148 F154 Q155 N156 | I148-D152 PolarHBondContact O-N 3.45Å; D152-F154 VanDerWaalsContact C-N 3.27Å; D152-F154 PolarHBondContact O-N 2.71Å; D152-Q155 PolarHBondContact O-N 3.47Å; D152-N156 PolarHBondContact O-N 3.5Å; D152-N156 PolarHBondContact O-ND2 3.25Å |
| 153 | G | 51 | Low | 56.8 | Low | 30 Ų | 30 | 103.7 Ų | 103.7 | 31% | 0.309 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.5 | -27.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | M149 N157 | M149-G153 PolarHBondContact O-N 2.88Å; G153-N157 WeakPolarHBondContact O-CB 3.44Å; G153-N157 PolarHBondContact O-N 3.15Å; G153-N157 PolarHBondContact O-ND2 2.92Å |
| 154 | F | 51.9 | Low | 57.3 | Low | 103 Ų | 103 | 105.8 Ų | 105.8 | 45% | 0.452 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.2 | -52.8 | 169.9 | -109.3 | -96.9 | 0 | 0 | 0 | 109.8 | H150 F151 D152 N156 N157 V158 Y160 | H150-F154 WeakPolarHBondContact O-CB 3.29Å; H150-F154 WeakPolarHBondContact O-CD2 3.43Å; H150-F154 PolarHBondContact O-N 3.5Å; F151-F154 WeakPolarHBondContact O-CB 3.49Å; F151-F154 PolarHBondContact O-N 3.2Å; D152-F154 VanDerWaalsContact C-N 3.27Å; D152-F154 PolarHBondContact O-N 2.71Å; F154-N156 PolarHBondContact O-N 3.43Å; F154-N157 CarbonylContact O-C 3.6Å; F154-N157 PolarHBondContact O-N 3.12Å; F154-V158 VanDerWaalsContact C-CG2 3.47Å; F154-V158 HydrophobicContact CB-CG2 4.38Å; F154-V158 HydrophobicContact CD1-CG2 4.03Å; F154-V158 WeakPolarHBondContact O-CG2 3.17Å; F154-V158 PolarHBondContact O-N 2.74Å; F154-Y160 HydrophobicContact CD1-CD2 4.36Å; F154-Y160 AromaticContact CD1-CE2 3.62Å; F154-Y160 HydrophobicContact CD1-CE2 3.62Å; F154-Y160 HydrophobicContact CE1-CD2 4.26Å; F154-Y160 AromaticContact CE1-CE2 3.33Å; F154-Y160 HydrophobicContact CE1-CE2 3.33Å; F154-Y160 AromaticContact CE1-CZ 3.61Å; F154-Y160 WeakPolarHBondContact CE1-OH 3.42Å; F154-Y160 HydrophobicContact CZ-CE2 4.25Å; F154-Y160 WeakPolarHBondContact CZ-OH 3.44Å |
| 155 | Q | 51.9 | Low | 57.9 | Low | 154 Ų | 154 | 106.3 Ų | 106.3 | 72% | 0.72 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -54.7 | -34.1 | -178.2 | -74.6 | -167.9 | 6.7 | 0 | 0 | 114 | F151 D152 | F151-Q155 PolarHBondContact O-N 2.99Å; F151-Q155 VanDerWaalsContact O-N 3.07Å; D152-Q155 PolarHBondContact O-N 3.47Å |
| 156 | N | 53.6 | Low | 59 | Low | 136 Ų | 136 | 106.7 Ų | 106.7 | 73% | 0.727 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -86.4 | -13.8 | 179.6 | -68 | -44.9 | 0 | 0 | 0 | 114.8 | D152 F154 | D152-N156 PolarHBondContact O-N 3.5Å; D152-N156 PolarHBondContact O-ND2 3.25Å; F154-N156 PolarHBondContact O-N 3.43Å |
| 157 | N | 52.4 | Low | 60 | Low | 127 Ų | 127 | 110 Ų | 110 | 68% | 0.679 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -116.6 | 9.4 | 176.3 | -67.3 | -59.7 | 0 | 0 | 0 | 113.4 | G153 F154 Q159 | G153-N157 WeakPolarHBondContact O-CB 3.44Å; G153-N157 PolarHBondContact O-N 3.15Å; G153-N157 PolarHBondContact O-ND2 2.92Å; F154-N157 CarbonylContact O-C 3.6Å; F154-N157 PolarHBondContact O-N 3.12Å; N157-Q159 PolarHBondContact O-N 2.69Å |
| 158 | V | 52.5 | Low | 60.9 | Low | 77 Ų | 77 | 107.7 Ų | 107.7 | 47% | 0.467 | 55% | 0.551 | S | S | . | * | | | trans | -75.7 | 69.9 | 170.5 | 176.6 | 0 | 0 | 0 | 0 | 108.4 | F154 Y160 | F154-V158 VanDerWaalsContact C-CG2 3.47Å; F154-V158 HydrophobicContact CB-CG2 4.38Å; F154-V158 HydrophobicContact CD1-CG2 4.03Å; F154-V158 WeakPolarHBondContact O-CG2 3.17Å; F154-V158 PolarHBondContact O-N 2.74Å; V158-Y160 HydrophobicContact CB-CD2 3.75Å; V158-Y160 HydrophobicContact CB-CE2 4.49Å; V158-Y160 HydrophobicContact CG1-CD2 3.78Å; V158-Y160 HydrophobicContact CG1-CG 4.32Å; V158-Y160 HydrophobicContact CG2-CD2 3.49Å; V158-Y160 VanDerWaalsContact CG2-CD2 3.49Å; V158-Y160 HydrophobicContact CG2-CE2 3.92Å; V158-Y160 PolarHBondContact O-N 3.49Å |
| 159 | Q | 51.2 | Low | 62 | Low | 140 Ų | 140 | 106.2 Ų | 106.2 | 65% | 0.654 | 55% | 0.55 | S | S | * | * | | | trans | -80.2 | 38.2 | 138.1 | -81.6 | -169.8 | -25.6 | 0 | 0 | 108.9 | N95 N157 S161 | N95-Q159 PolarHBondContact ND2-NE2 3.34Å; N95-Q159 PolarHBondContact OD1-NE2 2.95Å; N157-Q159 PolarHBondContact O-N 2.69Å; Q159-S161 PolarHBondContact O-N 2.97Å; Q159-S161 VanDerWaalsContact O-N 3.09Å |
| 160 | Y | 55.5 | Low | 63.5 | Low | 119 Ų | 119 | 104.6 Ų | 104.6 | 47% | 0.467 | 54% | 0.543 | S | S | . | . | | | trans | -71.9 | 112.4 | 168 | -68.6 | -75.5 | 0 | 0 | 0 | 106.2 | F154 V158 T162 L164 | F154-Y160 HydrophobicContact CD1-CD2 4.36Å; F154-Y160 AromaticContact CD1-CE2 3.62Å; F154-Y160 HydrophobicContact CD1-CE2 3.62Å; F154-Y160 HydrophobicContact CE1-CD2 4.26Å; F154-Y160 AromaticContact CE1-CE2 3.33Å; F154-Y160 HydrophobicContact CE1-CE2 3.33Å; F154-Y160 AromaticContact CE1-CZ 3.61Å; F154-Y160 WeakPolarHBondContact CE1-OH 3.42Å; F154-Y160 HydrophobicContact CZ-CE2 4.25Å; F154-Y160 WeakPolarHBondContact CZ-OH 3.44Å; V158-Y160 HydrophobicContact CB-CD2 3.75Å; V158-Y160 HydrophobicContact CB-CE2 4.49Å; V158-Y160 HydrophobicContact CG1-CD2 3.78Å; V158-Y160 HydrophobicContact CG1-CG 4.32Å; V158-Y160 HydrophobicContact CG2-CD2 3.49Å; V158-Y160 VanDerWaalsContact CG2-CD2 3.49Å; V158-Y160 HydrophobicContact CG2-CE2 3.92Å; V158-Y160 PolarHBondContact O-N 3.49Å; Y160-T162 PolarHBondContact O-N 3.22Å; Y160-L164 HydrophobicContact CD1-CD1 3.54Å; Y160-L164 HydrophobicContact CE1-CD1 4.46Å; Y160-L164 HydrophobicContact CG-CD1 4.24Å |
| 161 | S | 60.2 | Low | 65 | Low | 49 Ų | 49 | 103.9 Ų | 103.9 | 34% | 0.343 | 54% | 0.544 | S | S | . | . | | | trans | -30.9 | 132.1 | 173.1 | -177.9 | 0 | 0 | 0 | 0 | 109.9 | Q159 E163 L164 | Q159-S161 PolarHBondContact O-N 2.97Å; Q159-S161 VanDerWaalsContact O-N 3.09Å; S161-E163 CarbonylContact O-C 3.47Å; S161-E163 PolarHBondContact O-N 3.44Å; S161-E163 VanDerWaalsContact OG-CB 3.29Å; S161-E163 WeakPolarHBondContact OG-CB 3.31Å; S161-E163 VanDerWaalsContact OG-CD 3.31Å; S161-E163 WeakPolarHBondContact OG-CG 3.38Å; S161-E163 PolarHBondContact OG-N 2.95Å; S161-E163 PolarHBondContact OG-OE2 3.47Å; S161-L164 PolarHBondContact O-N 3.45Å |
| 162 | T | 63.3 | Low | 66.7 | Low | 115 Ų | 115 | 101.1 Ų | 101.1 | 71% | 0.706 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -45.5 | -27.4 | 171.3 | 45.4 | 0 | 0 | 0 | 0 | 111.6 | Y160 F165 V166 | Y160-T162 PolarHBondContact O-N 3.22Å; T162-F165 PolarHBondContact O-N 2.89Å; T162-V166 WeakPolarHBondContact O-CB 3.49Å; T162-V166 WeakPolarHBondContact O-CG2 3.42Å; T162-V166 PolarHBondContact O-N 3.37Å |
| 163 | E | 70.4 | Confident | 68.5 | Low | 132 Ų | 132 | 101.1 Ų | 101.1 | 62% | 0.617 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -57.9 | -42.9 | 171.7 | -59.8 | 172.8 | 156.3 | 0 | 0 | 114.3 | S161 V166 L167 | S161-E163 CarbonylContact O-C 3.47Å; S161-E163 PolarHBondContact O-N 3.44Å; S161-E163 VanDerWaalsContact OG-CB 3.29Å; S161-E163 WeakPolarHBondContact OG-CB 3.31Å; S161-E163 VanDerWaalsContact OG-CD 3.31Å; S161-E163 WeakPolarHBondContact OG-CG 3.38Å; S161-E163 PolarHBondContact OG-N 2.95Å; S161-E163 PolarHBondContact OG-OE2 3.47Å; E163-V166 PolarHBondContact O-N 2.78Å; E163-L167 VanDerWaalsContact O-CB 3.31Å; E163-L167 WeakPolarHBondContact O-CB 3.1Å; E163-L167 WeakPolarHBondContact O-CG 3.4Å; E163-L167 PolarHBondContact O-N 2.72Å |
| 164 | L | 70.9 | Confident | 70.2 | Confident | 94 Ų | 94 | 103.6 Ų | 103.6 | 49% | 0.492 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.1 | -36.6 | 178.9 | -77.4 | 170.5 | 0 | 0 | 0 | 111.5 | Y160 S161 S168 | Y160-L164 HydrophobicContact CD1-CD1 3.54Å; Y160-L164 HydrophobicContact CE1-CD1 4.46Å; Y160-L164 HydrophobicContact CG-CD1 4.24Å; S161-L164 PolarHBondContact O-N 3.45Å; L164-S168 WeakPolarHBondContact O-CB 3.19Å; L164-S168 PolarHBondContact O-N 3.13Å; L164-S168 PolarHBondContact O-OG 3.34Å |
| 165 | F | 73.5 | Confident | 71.8 | Confident | 156 Ų | 156 | 101.3 Ų | 101.3 | 68% | 0.684 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.1 | -46.4 | 172.5 | -175.6 | -99.9 | 0 | 0 | 0 | 110.8 | T162 L167 S168 A169 | T162-F165 PolarHBondContact O-N 2.89Å; F165-L167 PolarHBondContact O-N 3.06Å; F165-S168 PolarHBondContact O-N 2.73Å; F165-S168 PolarHBondContact O-OG 2.93Å; F165-A169 WeakPolarHBondContact O-CB 3.4Å; F165-A169 PolarHBondContact O-N 2.88Å |
| 166 | V | 80.9 | Confident | 73.4 | Confident | 78 Ų | 78 | 96.4 Ų | 96.4 | 47% | 0.473 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 176.6 | 169 | 0 | 0 | 0 | 0 | 111.6 | T162 E163 S168 A169 L170 | T162-V166 WeakPolarHBondContact O-CB 3.49Å; T162-V166 WeakPolarHBondContact O-CG2 3.42Å; T162-V166 PolarHBondContact O-N 3.37Å; E163-V166 PolarHBondContact O-N 2.78Å; V166-S168 PolarHBondContact O-N 3.48Å; V166-A169 PolarHBondContact O-N 2.85Å; V166-L170 HydrophobicContact CG1-CD1 3.84Å; V166-L170 WeakPolarHBondContact O-CB 3.34Å; V166-L170 PolarHBondContact O-N 2.92Å |
| 167 | L | 81.8 | Confident | 74.9 | Confident | 108 Ų | 108 | 93.6 Ų | 93.6 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.7 | -41.6 | 175.8 | -74.1 | 170.4 | 0 | 0 | 0 | 111.8 | E163 F165 L170 L171 | E163-L167 VanDerWaalsContact O-CB 3.31Å; E163-L167 WeakPolarHBondContact O-CB 3.1Å; E163-L167 WeakPolarHBondContact O-CG 3.4Å; E163-L167 PolarHBondContact O-N 2.72Å; F165-L167 PolarHBondContact O-N 3.06Å; L167-L170 PolarHBondContact O-N 3.32Å; L167-L171 WeakPolarHBondContact O-CB 3.4Å; L167-L171 PolarHBondContact O-N 3.05Å |
| 168 | S | 80 | Confident | 76.4 | Confident | 59 Ų | 59 | 90.4 Ų | 90.4 | 41% | 0.413 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65 | -40.7 | 176.6 | 76.5 | 0 | 0 | 0 | 0 | 112 | L164 F165 V166 L171 V172 | L164-S168 WeakPolarHBondContact O-CB 3.19Å; L164-S168 PolarHBondContact O-N 3.13Å; L164-S168 PolarHBondContact O-OG 3.34Å; F165-S168 PolarHBondContact O-N 2.73Å; F165-S168 PolarHBondContact O-OG 2.93Å; V166-S168 PolarHBondContact O-N 3.48Å; S168-L171 PolarHBondContact O-N 3.22Å; S168-V172 WeakPolarHBondContact O-CG2 3.35Å; S168-V172 PolarHBondContact O-N 3.42Å |
| 169 | A | 82.4 | Confident | 77.8 | Confident | 42 Ų | 42 | 91.8 Ų | 91.8 | 35% | 0.347 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.9 | -44.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F165 V166 L171 V172 V173 | F165-A169 WeakPolarHBondContact O-CB 3.4Å; F165-A169 PolarHBondContact O-N 2.88Å; V166-A169 PolarHBondContact O-N 2.85Å; A169-L171 VanDerWaalsContact C-N 3.3Å; A169-L171 PolarHBondContact O-N 3.41Å; A169-V172 PolarHBondContact O-N 3.01Å; A169-V173 WeakPolarHBondContact O-CG2 3.32Å; A169-V173 PolarHBondContact O-N 2.74Å |
| 170 | L | 88.1 | Confident | 79.1 | Confident | 98 Ų | 98 | 88.9 Ų | 88.9 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.8 | -41.6 | 173.5 | -95.8 | 150.2 | 0 | 0 | 0 | 111.8 | V166 L167 V173 T174 | V166-L170 HydrophobicContact CG1-CD1 3.84Å; V166-L170 WeakPolarHBondContact O-CB 3.34Å; V166-L170 PolarHBondContact O-N 2.92Å; L167-L170 PolarHBondContact O-N 3.32Å; L170-V173 PolarHBondContact O-N 3.44Å; L170-T174 WeakPolarHBondContact O-CB 3.25Å; L170-T174 VanDerWaalsContact O-CG2 3.25Å; L170-T174 WeakPolarHBondContact O-CG2 3.36Å; L170-T174 PolarHBondContact O-N 3.32Å; L170-T174 PolarHBondContact O-OG1 3.39Å |
| 171 | L | 89.6 | Confident | 80.1 | Confident | 123 Ų | 123 | 87.6 Ų | 87.6 | 64% | 0.644 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.4 | -41.4 | 177.5 | -168.1 | 119.3 | 0 | 0 | 0 | 111.9 | L167 S168 A169 T174 S175 | L167-L171 WeakPolarHBondContact O-CB 3.4Å; L167-L171 PolarHBondContact O-N 3.05Å; S168-L171 PolarHBondContact O-N 3.22Å; A169-L171 VanDerWaalsContact C-N 3.3Å; A169-L171 PolarHBondContact O-N 3.41Å; L171-T174 WeakPolarHBondContact CA-OG1 3.32Å; L171-T174 PolarHBondContact O-OG1 2.87Å; L171-T174 VanDerWaalsContact O-OG1 3.04Å; L171-S175 VanDerWaalsContact O-CB 3.32Å; L171-S175 WeakPolarHBondContact O-CB 3.42Å; L171-S175 PolarHBondContact O-N 2.85Å; L171-S175 PolarHBondContact O-OG 3.31Å |
| 172 | V | 89.2 | Confident | 80.7 | Confident | 93 Ų | 93 | 89.3 Ų | 89.3 | 56% | 0.564 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.1 | -47.6 | 176.1 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | S168 A169 S175 A176 | S168-V172 WeakPolarHBondContact O-CG2 3.35Å; S168-V172 PolarHBondContact O-N 3.42Å; A169-V172 PolarHBondContact O-N 3.01Å; V172-S175 PolarHBondContact O-N 2.75Å; V172-S175 PolarHBondContact O-OG 3.4Å; V172-A176 PolarHBondContact O-N 3.04Å |
| 173 | V | 88.9 | Confident | 81.2 | Confident | 91 Ų | 91 | 88.6 Ų | 88.6 | 55% | 0.552 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.2 | -46.9 | -179.8 | 174 | 0 | 0 | 0 | 0 | 111.3 | A169 L170 S175 A176 V177 | A169-V173 WeakPolarHBondContact O-CG2 3.32Å; A169-V173 PolarHBondContact O-N 2.74Å; L170-V173 PolarHBondContact O-N 3.44Å; V173-S175 VanDerWaalsContact C-N 3.31Å; V173-S175 PolarHBondContact O-N 2.97Å; V173-A176 PolarHBondContact O-N 2.92Å; V173-V177 HydrophobicContact CG1-CG2 4.46Å; V173-V177 WeakPolarHBondContact O-CG2 3.24Å; V173-V177 PolarHBondContact O-N 3.21Å |
| 174 | T | 85.9 | Confident | 81.1 | Confident | 82 Ų | 82 | 87.9 Ų | 87.9 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 177.7 | 50.6 | 0 | 0 | 0 | 0 | 112 | L170 L171 V177 A178 | L170-T174 WeakPolarHBondContact O-CB 3.25Å; L170-T174 VanDerWaalsContact O-CG2 3.25Å; L170-T174 WeakPolarHBondContact O-CG2 3.36Å; L170-T174 PolarHBondContact O-N 3.32Å; L170-T174 PolarHBondContact O-OG1 3.39Å; L171-T174 WeakPolarHBondContact CA-OG1 3.32Å; L171-T174 PolarHBondContact O-OG1 2.87Å; L171-T174 VanDerWaalsContact O-OG1 3.04Å; T174-V177 PolarHBondContact O-N 3.42Å; T174-A178 WeakPolarHBondContact O-CB 3.28Å; T174-A178 PolarHBondContact O-N 2.95Å |
| 175 | S | 85.2 | Confident | 80.3 | Confident | 55 Ų | 55 | 91.5 Ų | 91.5 | 39% | 0.385 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 174.5 | 79.5 | 0 | 0 | 0 | 0 | 112.3 | L171 V172 V173 A178 I179 | L171-S175 VanDerWaalsContact O-CB 3.32Å; L171-S175 WeakPolarHBondContact O-CB 3.42Å; L171-S175 PolarHBondContact O-N 2.85Å; L171-S175 PolarHBondContact O-OG 3.31Å; V172-S175 PolarHBondContact O-N 2.75Å; V172-S175 PolarHBondContact O-OG 3.4Å; V173-S175 VanDerWaalsContact C-N 3.31Å; V173-S175 PolarHBondContact O-N 2.97Å; S175-A178 PolarHBondContact O-N 3.19Å; S175-I179 WeakPolarHBondContact O-CD1 3.4Å; S175-I179 WeakPolarHBondContact O-CG1 3.38Å; S175-I179 PolarHBondContact O-N 3.37Å |
| 176 | A | 85.2 | Confident | 79.3 | Confident | 50 Ų | 50 | 89.4 Ų | 89.4 | 41% | 0.413 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V172 V173 I179 T180 | V172-A176 PolarHBondContact O-N 3.04Å; V173-A176 PolarHBondContact O-N 2.92Å; A176-I179 PolarHBondContact O-N 3.21Å; A176-T180 PolarHBondContact O-N 2.96Å; A176-T180 PolarHBondContact O-OG1 3.47Å; A176-T180 VanDerWaalsContact O-OG1 3.13Å |
| 177 | V | 85.9 | Confident | 78 | Confident | 78 Ų | 78 | 91.3 Ų | 91.3 | 47% | 0.473 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.8 | -41.8 | 175 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | V173 T174 I179 T180 V181 | V173-V177 HydrophobicContact CG1-CG2 4.46Å; V173-V177 WeakPolarHBondContact O-CG2 3.24Å; V173-V177 PolarHBondContact O-N 3.21Å; T174-V177 PolarHBondContact O-N 3.42Å; V177-I179 VanDerWaalsContact C-N 3.32Å; V177-I179 PolarHBondContact O-N 3.33Å; V177-T180 WeakPolarHBondContact CA-OG1 3.35Å; V177-T180 PolarHBondContact O-N 2.9Å; V177-T180 PolarHBondContact O-OG1 3.34Å; V177-V181 HydrophobicContact CG1-CG2 4.34Å; V177-V181 VanDerWaalsContact O-CG2 3.31Å; V177-V181 WeakPolarHBondContact O-CG2 3.5Å; V177-V181 PolarHBondContact O-N 3.46Å |
| 178 | A | 83 | Confident | 76.2 | Confident | 60 Ų | 60 | 94.8 Ų | 94.8 | 50% | 0.496 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.2 | -39.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T174 S175 A182 | T174-A178 WeakPolarHBondContact O-CB 3.28Å; T174-A178 PolarHBondContact O-N 2.95Å; S175-A178 PolarHBondContact O-N 3.19Å; A178-A182 VanDerWaalsContact O-CB 3.24Å; A178-A182 WeakPolarHBondContact O-CB 3.23Å; A178-A182 PolarHBondContact O-N 2.88Å |
| 179 | I | 82 | Confident | 74.5 | Confident | 105 Ų | 105 | 96.2 Ų | 96.2 | 54% | 0.538 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.4 | -43.3 | 176.2 | -67.2 | 162.7 | 0 | 0 | 0 | 110.6 | S175 A176 V177 A182 C183 | S175-I179 WeakPolarHBondContact O-CD1 3.4Å; S175-I179 WeakPolarHBondContact O-CG1 3.38Å; S175-I179 PolarHBondContact O-N 3.37Å; A176-I179 PolarHBondContact O-N 3.21Å; V177-I179 VanDerWaalsContact C-N 3.32Å; V177-I179 PolarHBondContact O-N 3.33Å; I179-A182 PolarHBondContact O-N 2.91Å; I179-C183 VanDerWaalsContact O-CB 3.28Å; I179-C183 WeakPolarHBondContact O-CB 3.21Å; I179-C183 PolarHBondContact O-N 2.97Å; I179-C183 PolarHBondContact O-SG 3.37Å |
| 180 | T | 79.7 | Confident | 72.3 | Confident | 79 Ų | 79 | 98.1 Ų | 98.1 | 49% | 0.485 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.1 | -43.2 | 177.3 | 45.7 | 0 | 0 | 0 | 0 | 112 | A176 V177 A182 C183 I184 | A176-T180 PolarHBondContact O-N 2.96Å; A176-T180 PolarHBondContact O-OG1 3.47Å; A176-T180 VanDerWaalsContact O-OG1 3.13Å; V177-T180 WeakPolarHBondContact CA-OG1 3.35Å; V177-T180 PolarHBondContact O-N 2.9Å; V177-T180 PolarHBondContact O-OG1 3.34Å; T180-A182 PolarHBondContact O-N 3.13Å; T180-C183 CarbonylContact O-C 3.6Å; T180-C183 PolarHBondContact O-N 3Å; T180-I184 WeakPolarHBondContact O-CD1 3.31Å; T180-I184 VanDerWaalsContact O-CG1 3.23Å; T180-I184 WeakPolarHBondContact O-CG1 3.26Å; T180-I184 PolarHBondContact O-N 2.92Å |
| 181 | V | 76.7 | Confident | 69.9 | Low | 93 Ų | 93 | 96.8 Ų | 96.8 | 56% | 0.564 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.7 | -40.9 | 175 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | V177 C183 I184 | V177-V181 HydrophobicContact CG1-CG2 4.34Å; V177-V181 VanDerWaalsContact O-CG2 3.31Å; V177-V181 WeakPolarHBondContact O-CG2 3.5Å; V177-V181 PolarHBondContact O-N 3.46Å; V181-C183 VanDerWaalsContact C-N 3.3Å; V181-C183 PolarHBondContact O-N 3.03Å; V181-I184 PolarHBondContact O-N 3.3Å |
| 182 | A | 73.3 | Confident | 67.3 | Low | 84 Ų | 84 | 98.3 Ų | 98.3 | 69% | 0.694 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.1 | -27.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A178 I179 T180 | A178-A182 VanDerWaalsContact O-CB 3.24Å; A178-A182 WeakPolarHBondContact O-CB 3.23Å; A178-A182 PolarHBondContact O-N 2.88Å; I179-A182 PolarHBondContact O-N 2.91Å; T180-A182 PolarHBondContact O-N 3.13Å |
| 183 | C | 72.8 | Confident | 65 | Low | 100 Ų | 100 | 100.8 Ų | 100.8 | 68% | 0.676 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -85.9 | -19.8 | 176.8 | -71.2 | 0 | 0 | 0 | 0 | 113.6 | I179 T180 V181 K185 | I179-C183 VanDerWaalsContact O-CB 3.28Å; I179-C183 WeakPolarHBondContact O-CB 3.21Å; I179-C183 PolarHBondContact O-N 2.97Å; I179-C183 PolarHBondContact O-SG 3.37Å; T180-C183 CarbonylContact O-C 3.6Å; T180-C183 PolarHBondContact O-N 3Å; V181-C183 VanDerWaalsContact C-N 3.3Å; V181-C183 PolarHBondContact O-N 3.03Å; C183-K185 PolarHBondContact O-N 2.99Å; C183-K185 VanDerWaalsContact O-N 3.14Å |
| 184 | I | 68.7 | Low | 62.5 | Low | 117 Ų | 117 | 102.4 Ų | 102.4 | 60% | 0.6 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -72.3 | 104 | 166.9 | -65.9 | 159.5 | 0 | 0 | 0 | 106.4 | T180 V181 | T180-I184 WeakPolarHBondContact O-CD1 3.31Å; T180-I184 VanDerWaalsContact O-CG1 3.23Å; T180-I184 WeakPolarHBondContact O-CG1 3.26Å; T180-I184 PolarHBondContact O-N 2.92Å; V181-I184 PolarHBondContact O-N 3.3Å |
| 185 | K | 53.4 | Low | 60.2 | Low | 171 Ų | 171 | 104.2 Ų | 104.2 | 74% | 0.743 | 66% | 0.664 | S | S | * | * | | | trans | -45 | 129 | 169.8 | -95.8 | 179.7 | 172.3 | 178.2 | 0 | 108.5 | C183 V187 | C183-K185 PolarHBondContact O-N 2.99Å; C183-K185 VanDerWaalsContact O-N 3.14Å; K185-V187 VanDerWaalsContact C-N 3.25Å; K185-V187 HydrophobicContact CB-CG2 4.17Å; K185-V187 PolarHBondContact O-N 3.3Å |
| 186 | P | 53.4 | Low | 58.2 | Low | 111 Ų | 111 | 111 Ų | 111 | 72% | 0.721 | 69% | 0.686 | S | S | * | * | | | trans | -67.4 | 90 | 172 | 28 | -32.6 | 0 | 0 | 0 | 108.2 | H188 A189 | P186-H188 PolarHBondContact O-N 3.25Å; P186-A189 HydrophobicContact CB-CB 4.39Å |
| 187 | V | 52.2 | Low | 55.7 | Low | 118 Ų | 118 | 113.7 Ų | 113.7 | 72% | 0.715 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | 0.8 | 175.5 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | K185 | K185-V187 VanDerWaalsContact C-N 3.25Å; K185-V187 HydrophobicContact CB-CG2 4.17Å; K185-V187 PolarHBondContact O-N 3.3Å |
| 188 | H | 45.2 | Very low | 53.7 | Low | 181 Ų | 181 | 117 Ų | 117 | 84% | 0.838 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.7 | 22.1 | -177 | -76.2 | -42.7 | 0 | 0 | 0 | 116.5 | P186 | P186-H188 PolarHBondContact O-N 3.25Š|
| 189 | A | 45 | Very low | 51.7 | Low | 90 Ų | 90 | 117.9 Ų | 117.9 | 74% | 0.744 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -101.2 | 27.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | P186 | P186-A189 HydrophobicContact CB-CB 4.39Š|
| 190 | G | 35.5 | Very low | 49.4 | Very low | 81 Ų | 81 | 118 Ų | 118 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -129.9 | 10.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 191 | A | 36.9 | Very low | 47.3 | Very low | 71 Ų | 71 | 120.3 Ų | 120.3 | 59% | 0.587 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -104.1 | 139.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 192 | D | 34.6 | Very low | 45.6 | Very low | 155 Ų | 155 | 121 Ų | 121 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 92 | 53.8 | 171.4 | -43.6 | -27.2 | 0 | 0 | 0 | 117.7 | | |
| 193 | T | 42.1 | Very low | 44.1 | Very low | 145 Ų | 145 | 125.6 Ų | 125.6 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | | | trans | -149.6 | 62.1 | 150.8 | 47.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 194 | S | 36.9 | Very low | 42.6 | Very low | 124 Ų | 124 | 128.2 Ų | 128.2 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | | | trans | -147.3 | 64.1 | 167.6 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 195 | S | 35.8 | Very low | 41.4 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | | | trans | -124.5 | 71.9 | 166.8 | 47.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 196 | K | 44.4 | Very low | 40.3 | Very low | 196 Ų | 196 | 128.9 Ų | 128.9 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | | | trans | -96 | 87.5 | 161.1 | -123.7 | 174.8 | -177 | 178 | 0 | 108.3 | | |
| 197 | S | 32 | Very low | 39.7 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | trans | -53.9 | 125.8 | 150.6 | 165.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 198 | L | 44 | Very low | 39 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | | | trans | -177.7 | 87.1 | 155.7 | -94.5 | 159.3 | 0 | 0 | 0 | 103.5 | | |
| 199 | A | 40.4 | Very low | 38.7 | Very low | 77 Ų | 77 | 127.9 Ų | 127.9 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | | | | 59.3 | 112.2 | 96.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 200 | S | 35 | Very low | 38.3 | Very low | 108 Ų | 108 | 131 Ų | 131 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | | | trans | 49.4 | 122.7 | 152.6 | 61.7 | 0 | 0 | 0 | 0 | 116 | | |
| 201 | T | 36.1 | Very low | 38.4 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | | -179.5 | 153.5 | 64.4 | -40.1 | 0 | 0 | 0 | 0 | 106.5 | | |
| 202 | T | 40 | Very low | 38.5 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | | | trans | -49.3 | 158.1 | -179.4 | 38.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 203 | E | 42.7 | Very low | 38.7 | Very low | 180 Ų | 180 | 133.4 Ų | 133.4 | 84% | 0.841 | 76% | 0.761 | S | S | * | * | | | trans | 71.4 | 148.9 | 157.4 | -67.8 | 163.2 | -154.3 | 0 | 0 | 116.4 | | |
| 204 | E | 40.9 | Very low | 38.6 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | | | cis | -165.1 | 137.8 | -28.1 | -169.3 | -170.8 | 158.9 | 0 | 0 | 101.9 | | |
| 205 | K | 42 | Very low | 38.4 | Very low | 162 Ų | 162 | 134.8 Ų | 134.8 | 70% | 0.704 | 75% | 0.752 | S | S | * | * | | | trans | 37 | 102 | 162.8 | -81.2 | 171.2 | 174.9 | 161.5 | 0 | 120 | | |
| 206 | T | 31.3 | Very low | 38.8 | Very low | 139 Ų | 139 | 136.9 Ų | 136.9 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | | | | 48.8 | 77.6 | 116.5 | -33.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 207 | V | 40.9 | Very low | 38.8 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 71% | 0.709 | 75% | 0.746 | S | S | * | * | | | trans | -147.9 | 126 | 162.5 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 208 | E | 36.8 | Very low | 39.1 | Very low | 170 Ų | 170 | 140.8 Ų | 140.8 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | | | trans | 48.3 | 148 | 145.9 | -63.2 | 176.3 | 138.6 | 0 | 0 | 125 | | |
| 209 | S | 39.8 | Very low | 38.9 | Very low | 103 Ų | 103 | 138.4 Ų | 138.4 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | | | trans | 78.6 | 142.2 | 141.9 | 77.5 | 0 | 0 | 0 | 0 | 116.1 | | |
| 210 | Q | 36.1 | Very low | 38.6 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | | | cis | -168.4 | 160.1 | 4.2 | -128.8 | -177.1 | -57.1 | 0 | 0 | 107 | | |
| 211 | D | 38.2 | Very low | 38.5 | Very low | 112 Ų | 112 | 139.3 Ų | 139.3 | 60% | 0.599 | 77% | 0.771 | S | S | * | * | | | trans | 69.8 | 102.2 | 143.9 | -58.8 | -15 | 0 | 0 | 0 | 120.1 | | |
| 212 | D | 39.6 | Very low | 38.5 | Very low | 142 Ų | 142 | 136 Ų | 136 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | | | | 142.6 | 111.5 | 100.9 | -88.8 | -20.2 | 0 | 0 | 0 | 114.2 | | |
| 213 | S | 38.3 | Very low | 38.6 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | 59.6 | 98.5 | 149.9 | 69.6 | 0 | 0 | 0 | 0 | 118.1 | | |
| 214 | I | 39.6 | Very low | 38.4 | Very low | 162 Ų | 162 | 137 Ų | 137 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | | | | -172.3 | 98.1 | 112 | -82.5 | 144.9 | 0 | 0 | 0 | 105.5 | | |
| 215 | N | 33.6 | Very low | 38.6 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | | | trans | -91.3 | 99 | 170.2 | -161.2 | 1.2 | 0 | 0 | 0 | 106.9 | | |
| 216 | M | 42.6 | Very low | 38.4 | Very low | 165 Ų | 165 | 134.2 Ų | 134.2 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | | | trans | -119.6 | 95 | 159.3 | -81.5 | -159.8 | 164.6 | 0 | 0 | 108 | F218 | M216-F218 PolarHBondContact O-N 3.36Š|
| 217 | Q | 44.6 | Very low | 38.9 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | -51.2 | 122.7 | 168.4 | -71.3 | 177.7 | -8.7 | 0 | 0 | 109.7 | A219 | Q217-A219 PolarHBondContact O-N 3.33Å; Q217-A219 VanDerWaalsContact O-N 3.13Å |
| 218 | F | 37.8 | Very low | 39.2 | Very low | 220 Ų | 220 | 135.2 Ų | 135.2 | 97% | 0.965 | 76% | 0.756 | S | S | * | * | | | trans | -64.3 | 104.7 | 167.4 | -84.7 | -101.1 | 0 | 0 | 0 | 109.2 | M216 | M216-F218 PolarHBondContact O-N 3.36Š|
| 219 | A | 40.9 | Very low | 39.8 | Very low | 98 Ų | 98 | 133 Ų | 133 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | | | trans | -129.7 | 108.2 | 160 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q217 | Q217-A219 PolarHBondContact O-N 3.33Å; Q217-A219 VanDerWaalsContact O-N 3.13Å |
| 220 | G | 34.4 | Very low | 40 | Very low | 73 Ų | 73 | 135.6 Ų | 135.6 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 100.4 | 79.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | G222 | G220-G222 PolarHBondContact O-N 3.39Š|
| 221 | S | 31.8 | Very low | 40.2 | Very low | 131 Ų | 131 | 133.7 Ų | 133.7 | 92% | 0.916 | 77% | 0.766 | S | S | * | * | | | trans | 25.6 | 69.7 | 140 | 178.9 | 0 | 0 | 0 | 0 | 116.9 | | |
| 222 | G | 35.8 | Very low | 40.6 | Very low | 59 Ų | 59 | 131.6 Ų | 131.6 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | | | trans | -115.6 | 106.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | G220 N224 | G220-G222 PolarHBondContact O-N 3.39Å; G222-N224 PolarHBondContact O-N 3.42Å |
| 223 | I | 42 | Very low | 40.8 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | | | trans | -71.9 | 85.3 | 162.6 | -62.9 | 165.1 | 0 | 0 | 0 | 105.9 | V225 | I223-V225 VanDerWaalsContact C-N 3.3Å; I223-V225 HydrophobicContact CG2-CG2 3.91Å; I223-V225 PolarHBondContact O-N 3.29Å |
| 224 | N | 39 | Very low | 41.5 | Very low | 149 Ų | 149 | 142 Ų | 142 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | trans | -73.4 | 89.9 | 167.5 | -85.1 | -15.6 | 0 | 0 | 0 | 107.7 | G222 L226 | G222-N224 PolarHBondContact O-N 3.42Å; N224-L226 VanDerWaalsContact C-N 3.29Å; N224-L226 PolarHBondContact O-N 3.18Å |
| 225 | V | 44.7 | Very low | 42 | Very low | 95 Ų | 95 | 138.8 Ų | 138.8 | 58% | 0.576 | 76% | 0.762 | S | S | * | * | | | trans | -67.2 | 98.8 | 160.2 | -177.7 | 0 | 0 | 0 | 0 | 106.1 | I223 Y227 | I223-V225 VanDerWaalsContact C-N 3.3Å; I223-V225 HydrophobicContact CG2-CG2 3.91Å; I223-V225 PolarHBondContact O-N 3.29Å; V225-Y227 HydrophobicContact CB-CD2 4.28Å; V225-Y227 HydrophobicContact CB-CE2 4.15Å; V225-Y227 HydrophobicContact CG1-CD2 3.79Å; V225-Y227 HydrophobicContact CG1-CE2 3.61Å; V225-Y227 PolarHBondContact O-N 2.92Å |
| 226 | L | 37.8 | Very low | 42.6 | Very low | 164 Ų | 164 | 134.8 Ų | 134.8 | 86% | 0.859 | 75% | 0.745 | S | S | * | * | | | trans | -62.4 | 89.4 | 170 | -150.1 | 86.6 | 0 | 0 | 0 | 107.5 | N224 | N224-L226 VanDerWaalsContact C-N 3.29Å; N224-L226 PolarHBondContact O-N 3.18Å |
| 227 | Y | 42.3 | Very low | 43.3 | Very low | 188 Ų | 188 | 132.3 Ų | 132.3 | 74% | 0.737 | 74% | 0.741 | S | S | * | * | | | trans | -70.4 | 126.4 | 166.6 | -86 | -87.6 | 0 | 0 | 0 | 107.3 | V225 | V225-Y227 HydrophobicContact CB-CD2 4.28Å; V225-Y227 HydrophobicContact CB-CE2 4.15Å; V225-Y227 HydrophobicContact CG1-CD2 3.79Å; V225-Y227 HydrophobicContact CG1-CE2 3.61Å; V225-Y227 PolarHBondContact O-N 2.92Å |
| 228 | P | 47.9 | Very low | 43.6 | Very low | 88 Ų | 88 | 135.3 Ų | 135.3 | 57% | 0.571 | 75% | 0.745 | S | S | * | * | | | trans | -58.9 | 136.7 | 170.4 | 25.5 | -31.4 | 0 | 0 | 0 | 107.7 | L230 | P228-L230 PolarHBondContact O-N 3.1Š|
| 229 | P | 49.8 | Very low | 44.2 | Very low | 124 Ų | 124 | 134 Ų | 134 | 81% | 0.805 | 73% | 0.734 | S | S | * | * | | | trans | -62.1 | 105 | 171.3 | 25.1 | -30.3 | 0 | 0 | 0 | 106.9 | S231 | P229-S231 PolarHBondContact O-N 3.42Š|
| 230 | L | 43.7 | Very low | 44.5 | Very low | 157 Ų | 157 | 135.3 Ų | 135.3 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | | | trans | -70.8 | 68.4 | 167.9 | -70.8 | 175.6 | 0 | 0 | 0 | 108.4 | P228 S232 | P228-L230 PolarHBondContact O-N 3.1Å; L230-S232 PolarHBondContact O-N 3.34Å |
| 231 | S | 38.8 | Very low | 45.1 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | | | trans | -69.7 | 73.7 | 154 | 164.2 | 0 | 0 | 0 | 0 | 107.1 | P229 | P229-S231 PolarHBondContact O-N 3.42Š|
| 232 | S | 46.7 | Very low | 45.7 | Very low | 68 Ų | 68 | 141.6 Ų | 141.6 | 48% | 0.476 | 72% | 0.722 | S | S | . | * | | | trans | -130.1 | 110.9 | 162.9 | 110.6 | 0 | 0 | 0 | 0 | 106.6 | L230 R234 | L230-S232 PolarHBondContact O-N 3.34Å; S232-R234 PolarHBondContact O-N 2.92Å |
| 233 | R | 44.6 | Very low | 46.3 | Very low | 251 Ų | 251 | 144.7 Ų | 144.7 | 95% | 0.947 | 73% | 0.729 | S | S | * | * | | | trans | -64.9 | 49.2 | 172.8 | -66.1 | 177.7 | 168.7 | -143.9 | -0.2 | 111.5 | | |
| 234 | R | 52.6 | Low | 46.5 | Very low | 212 Ų | 212 | 142.6 Ų | 142.6 | 80% | 0.8 | 72% | 0.723 | S | S | * | * | | | trans | -97.4 | 114 | 175.8 | -70.2 | -168.4 | 178.9 | -143.8 | 1.5 | 108.3 | S232 S236 | S232-R234 PolarHBondContact O-N 2.92Å; R234-S236 PolarHBondContact O-N 2.9Å |
| 235 | P | 51.7 | Low | 46.7 | Very low | 95 Ų | 95 | 143.2 Ų | 143.2 | 62% | 0.617 | 72% | 0.721 | S | S | * | * | | | trans | -58.1 | 130.8 | 170.9 | -8.9 | 20.9 | 0 | 0 | 0 | 107.8 | L240 | P235-L240 HydrophobicContact CB-CD1 4.35Š|
| 236 | S | 45.3 | Very low | 46.7 | Very low | 53 Ų | 53 | 143.6 Ų | 143.6 | 37% | 0.371 | 73% | 0.728 | S | S | . | * | | | trans | -56.3 | 132 | 171.4 | -20.7 | 0 | 0 | 0 | 0 | 107.5 | R234 W238 R239 | R234-S236 PolarHBondContact O-N 2.9Å; S236-W238 PolarHBondContact O-N 3.32Å; S236-R239 WeakPolarHBondContact O-CB 3.43Å; S236-R239 PolarHBondContact O-N 3.44Å |
| 237 | P | 56.6 | Low | 47.3 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -17.4 | 179.6 | 16.7 | -26.1 | 0 | 0 | 0 | 112.8 | | |
| 238 | W | 51.6 | Low | 47.8 | Very low | 229 Ų | 229 | 137.7 Ų | 137.7 | 87% | 0.867 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -3.1 | 175.9 | -56.1 | 88.5 | 0 | 0 | 0 | 114.4 | S236 | S236-W238 PolarHBondContact O-N 3.32Š|
| 239 | R | 49.5 | Very low | 47.6 | Very low | 193 Ų | 193 | 144.5 Ų | 144.5 | 73% | 0.728 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -106.7 | -0.6 | -172.2 | -131.6 | 175.5 | -178.4 | 176.9 | -1 | 114.5 | S236 | S236-R239 WeakPolarHBondContact O-CB 3.43Å; S236-R239 PolarHBondContact O-N 3.44Å |
| 240 | L | 47.3 | Very low | 47.4 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 1.1 | -178.8 | -90.8 | 157.9 | 0 | 0 | 0 | 114.9 | P235 | P235-L240 HydrophobicContact CB-CD1 4.35Š|
| 241 | Q | 47.8 | Very low | 47.5 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | 4.3 | -177.8 | -71.8 | -174.1 | -13.5 | 0 | 0 | 115.3 | | |
| 242 | H | 45.2 | Very low | 47.7 | Very low | 170 Ų | 170 | 145.9 Ų | 145.9 | 79% | 0.787 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -111 | 9.8 | -173.9 | -72.3 | -61.7 | 0 | 0 | 0 | 116 | | |
| 243 | T | 48.1 | Very low | 47.6 | Very low | 123 Ų | 123 | 148.2 Ų | 148.2 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -133.5 | -3.9 | -174.3 | 6.8 | 0 | 0 | 0 | 0 | 116.8 | | |
| 244 | V | 45.2 | Very low | 47.6 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 70% | 0.697 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -135.1 | -11.3 | -175.7 | -178.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 245 | H | 44.4 | Very low | 47.1 | Very low | 163 Ų | 163 | 139 Ų | 139 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | | | trans | -125.3 | 108.1 | 176 | -71.1 | -60.4 | 0 | 0 | 0 | 110.8 | | |
| 246 | S | 43.2 | Very low | 47.1 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | | | trans | -33.6 | 132.5 | 155 | 39.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 247 | P | 51 | Low | 47 | Very low | 105 Ų | 105 | 149.2 Ų | 149.2 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | | | trans | -53.8 | 143.6 | 178.9 | 24 | -33 | 0 | 0 | 0 | 108.9 | R249 | P247-R249 PolarHBondContact O-N 3.41Š|
| 248 | P | 52.2 | Low | 46.5 | Very low | 123 Ų | 123 | 150 Ų | 150 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | | | trans | -54.9 | 114.4 | 170 | 23.2 | -30 | 0 | 0 | 0 | 106.3 | L250 | P248-L250 PolarHBondContact O-N 3.45Å; P248-L250 VanDerWaalsContact O-N 3.08Å |
| 249 | R | 45.1 | Very low | 46.2 | Very low | 230 Ų | 230 | 150.6 Ų | 150.6 | 87% | 0.868 | 77% | 0.768 | S | S | * | * | | | trans | -55.9 | 120.8 | 170.5 | -75.8 | -178.3 | 169.3 | 168.7 | -3.1 | 104.9 | P247 V251 | P247-R249 PolarHBondContact O-N 3.41Å; R249-V251 PolarHBondContact O-N 2.89Å |
| 250 | L | 45.3 | Very low | 46.4 | Very low | 166 Ų | 166 | 150.9 Ų | 150.9 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | | | trans | -54.2 | 100.5 | 162 | -73.9 | 164.5 | 0 | 0 | 0 | 104.7 | P248 D252 | P248-L250 PolarHBondContact O-N 3.45Å; P248-L250 VanDerWaalsContact O-N 3.08Å; L250-D252 PolarHBondContact O-N 3.48Å; L250-D252 VanDerWaalsContact O-N 3.15Å |
| 251 | V | 45.6 | Very low | 46.4 | Very low | 118 Ų | 118 | 154.8 Ų | 154.8 | 72% | 0.715 | 79% | 0.786 | S | S | * | * | | | trans | -61.6 | 117.8 | 166.6 | 175.3 | 0 | 0 | 0 | 0 | 103.1 | R249 V253 | R249-V251 PolarHBondContact O-N 2.89Å; V251-V253 HydrophobicContact CG1-CG2 4.45Å; V251-V253 PolarHBondContact O-N 3.19Å |
| 252 | D | 42 | Very low | 46.3 | Very low | 142 Ų | 142 | 158.2 Ų | 158.2 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | | | trans | -57 | 91.4 | 166.3 | -76.9 | -34.1 | 0 | 0 | 0 | 106.4 | L250 T254 | L250-D252 PolarHBondContact O-N 3.48Å; L250-D252 VanDerWaalsContact O-N 3.15Å; D252-T254 PolarHBondContact O-N 3.13Å |
| 253 | V | 45.1 | Very low | 46.5 | Very low | 116 Ų | 116 | 158.7 Ų | 158.7 | 70% | 0.703 | 79% | 0.794 | S | S | * | * | | | trans | -74.4 | 78.6 | 164 | -175.2 | 0 | 0 | 0 | 0 | 104.4 | V251 M255 | V251-V253 HydrophobicContact CG1-CG2 4.45Å; V251-V253 PolarHBondContact O-N 3.19Å; V253-M255 HydrophobicContact CG1-CG 4.26Å; V253-M255 PolarHBondContact O-N 3.27Å |
| 254 | T | 44.6 | Very low | 46.2 | Very low | 118 Ų | 118 | 161.8 Ų | 161.8 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | | | trans | -58.2 | 93.4 | 156.9 | 40 | 0 | 0 | 0 | 0 | 106.3 | D252 K256 | D252-T254 PolarHBondContact O-N 3.13Å; T254-K256 VanDerWaalsContact C-N 3.32Å; T254-K256 PolarHBondContact O-N 2.95Å |
| 255 | M | 43 | Very low | 46 | Very low | 152 Ų | 152 | 161.8 Ų | 161.8 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | | | trans | -61 | 100.7 | 165.2 | -82.8 | -177.3 | 72.4 | 0 | 0 | 106.6 | V253 M257 | V253-M255 HydrophobicContact CG1-CG 4.26Å; V253-M255 PolarHBondContact O-N 3.27Å; M255-M257 PolarHBondContact O-N 3.32Å |
| 256 | K | 50.9 | Low | 45.8 | Very low | 192 Ų | 192 | 160.6 Ų | 160.6 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | | | trans | -64.9 | 90.9 | 159.6 | -75.5 | -175.1 | 175.6 | 179 | 0 | 106.6 | T254 T258 | T254-K256 VanDerWaalsContact C-N 3.32Å; T254-K256 PolarHBondContact O-N 2.95Å; K256-T258 VanDerWaalsContact C-N 3.29Å; K256-T258 PolarHBondContact O-N 3.26Å |
| 257 | M | 43.9 | Very low | 45.9 | Very low | 171 Ų | 171 | 164.2 Ų | 164.2 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | | | trans | -63.2 | 97.6 | 162.7 | -95.3 | -171.9 | 168.5 | 0 | 0 | 107.2 | M255 R259 | M255-M257 PolarHBondContact O-N 3.32Å; M257-R259 PolarHBondContact O-N 3.24Å; M257-R259 VanDerWaalsContact O-N 3.1Å |
| 258 | T | 45.3 | Very low | 45.5 | Very low | 130 Ų | 130 | 164.8 Ų | 164.8 | 80% | 0.798 | 82% | 0.817 | S | S | * | * | | | trans | -66.3 | 108 | 164.9 | 47 | 0 | 0 | 0 | 0 | 107.5 | K256 K260 | K256-T258 VanDerWaalsContact C-N 3.29Å; K256-T258 PolarHBondContact O-N 3.26Å; T258-K260 PolarHBondContact O-N 3.22Å; T258-K260 VanDerWaalsContact O-N 3.13Å |
| 259 | R | 45.4 | Very low | 45.1 | Very low | 241 Ų | 241 | 164.2 Ų | 164.2 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | | | trans | -55.1 | 113.4 | 172.4 | -151.7 | 174.8 | -172.8 | 177.8 | 1 | 107.6 | M257 K261 | M257-R259 PolarHBondContact O-N 3.24Å; M257-R259 VanDerWaalsContact O-N 3.1Å; R259-K261 PolarHBondContact O-N 3.41Å; R259-K261 VanDerWaalsContact O-N 3.11Å |
| 260 | K | 54.5 | Low | 45.1 | Very low | 199 Ų | 199 | 158.6 Ų | 158.6 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 118.7 | 168.7 | -99.9 | -177.9 | 172.4 | -178.6 | 0 | 107.2 | T258 R262 | T258-K260 PolarHBondContact O-N 3.22Å; T258-K260 VanDerWaalsContact O-N 3.13Å; K260-R262 PolarHBondContact O-N 3.47Å |
| 261 | K | 46.4 | Very low | 44.9 | Very low | 207 Ų | 207 | 156.9 Ų | 156.9 | 90% | 0.9 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 119 | 165.4 | -86.2 | -178.3 | 172 | -177.7 | 0 | 106.8 | R259 | R259-K261 PolarHBondContact O-N 3.41Å; R259-K261 VanDerWaalsContact O-N 3.11Å |
| 262 | R | 45.5 | Very low | 44.7 | Very low | 239 Ų | 239 | 159.2 Ų | 159.2 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 122.8 | 167.3 | -164.5 | 174.5 | -172.9 | 160.5 | 0.3 | 105.6 | K260 E264 | K260-R262 PolarHBondContact O-N 3.47Å; R262-E264 PolarHBondContact O-N 3.47Å |
| 263 | E | 49.5 | Very low | 44.6 | Very low | 179 Ų | 179 | 157 Ų | 157 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 117.1 | 167.1 | -76.4 | 171.9 | 153 | 0 | 0 | 107.6 | V265 | E263-V265 PolarHBondContact O-N 3.38Š|
| 264 | E | 41.9 | Very low | 44.4 | Very low | 189 Ų | 189 | 161.5 Ų | 161.5 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | | | trans | -69.4 | 100.6 | 162.8 | -81.9 | 174.8 | 148.9 | 0 | 0 | 106.9 | R262 | R262-E264 PolarHBondContact O-N 3.47Š|
| 265 | V | 42.3 | Very low | 44.3 | Very low | 115 Ų | 115 | 161 Ų | 161 | 70% | 0.697 | 81% | 0.809 | S | S | * | * | | | trans | -85.3 | 106.5 | 156.1 | 176.1 | 0 | 0 | 0 | 0 | 105.7 | E263 E267 | E263-V265 PolarHBondContact O-N 3.38Å; V265-E267 HydrophobicContact CG1-CG 4.45Å; V265-E267 PolarHBondContact O-N 2.78Å; V265-E267 VanDerWaalsContact O-N 3.15Å |
| 266 | T | 39 | Very low | 44.2 | Very low | 138 Ų | 138 | 159.9 Ų | 159.9 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | | | trans | -56.3 | 105.7 | 164.9 | 20.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 267 | E | 46.3 | Very low | 43.9 | Very low | 178 Ų | 178 | 158.3 Ų | 158.3 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | | | trans | -114.6 | 105.5 | 154.4 | -76.5 | -176.6 | 178.7 | 0 | 0 | 107.5 | V265 S269 | V265-E267 HydrophobicContact CG1-CG 4.45Å; V265-E267 PolarHBondContact O-N 2.78Å; V265-E267 VanDerWaalsContact O-N 3.15Å; E267-S269 PolarHBondContact O-N 3.14Å |
| 268 | S | 42.8 | Very low | 43.6 | Very low | 118 Ų | 118 | 157.7 Ų | 157.7 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | trans | -60.2 | 119.4 | 163.7 | 50.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 269 | S | 43.2 | Very low | 43.3 | Very low | 110 Ų | 110 | 162.9 Ų | 162.9 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | | | trans | -169.4 | 129.5 | 134.3 | -164.7 | 0 | 0 | 0 | 0 | 111 | E267 | E267-S269 PolarHBondContact O-N 3.14Š|
| 270 | T | 45.7 | Very low | 43 | Very low | 113 Ų | 113 | 155.7 Ų | 155.7 | 69% | 0.693 | 79% | 0.794 | S | S | * | * | | | trans | -38.3 | 162.7 | 160.8 | 28.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 271 | D | 40.3 | Very low | 42.1 | Very low | 129 Ų | 129 | 154.6 Ų | 154.6 | 69% | 0.69 | 79% | 0.792 | S | S | * | * | | | trans | 96.3 | 101 | 159.6 | -60.8 | -34.2 | 0 | 0 | 0 | 116.8 | | |
| 272 | Q | 42.3 | Very low | 41.7 | Very low | 167 Ų | 167 | 152.9 Ų | 152.9 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | | | | 94.3 | 112.7 | 75.8 | -88.2 | -165 | 30.4 | 0 | 0 | 112.8 | | |
| 273 | S | 39.3 | Very low | 41.2 | Very low | 96 Ų | 96 | 152.9 Ų | 152.9 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | | | trans | 53.8 | 114.7 | 140.1 | 50.8 | 0 | 0 | 0 | 0 | 123.1 | | |
| 274 | K | 40.1 | Very low | 40.7 | Very low | 210 Ų | 210 | 149.2 Ų | 149.2 | 91% | 0.913 | 79% | 0.786 | S | S | * | * | | | | 41.8 | 118.1 | 122.5 | -63.1 | 179.1 | 179.1 | 177.9 | 0 | 120.7 | | |
| 275 | S | 43.8 | Very low | 40.3 | Very low | 109 Ų | 109 | 147.1 Ų | 147.1 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | -166 | 108.6 | 136.5 | 59 | 0 | 0 | 0 | 0 | 108.8 | | |
| 276 | T | 41 | Very low | 40.2 | Very low | 127 Ų | 127 | 150.9 Ų | 150.9 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | | 45.6 | 129.2 | 89.7 | 5.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 277 | E | 42.9 | Very low | 40 | Very low | 159 Ų | 159 | 149.1 Ų | 149.1 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | | | trans | 98.4 | 127.1 | 147.9 | -71 | -178.7 | -175.8 | 0 | 0 | 121.7 | | |
| 278 | Q | 38.4 | Very low | 39.6 | Very low | 159 Ų | 159 | 150.4 Ų | 150.4 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | trans | 71.8 | 128.5 | 155.2 | -63.3 | 168.6 | -20.4 | 0 | 0 | 114.6 | | |
| 279 | W | 37.9 | Very low | 39.4 | Very low | 238 Ų | 238 | 149.9 Ų | 149.9 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | | | | -156.8 | 131.8 | 62.2 | -89.8 | 66.2 | 0 | 0 | 0 | 111 | | |
| 280 | S | 40.6 | Very low | 39.2 | Very low | 91 Ų | 91 | 151.5 Ų | 151.5 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | | | trans | -75.5 | 162.5 | 163 | 40.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 281 | E | 34.7 | Very low | 39.2 | Very low | 175 Ų | 175 | 155.5 Ų | 155.5 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | 72.5 | 118.4 | 156.7 | -75 | 172.9 | 137.2 | 0 | 0 | 119.3 | | |
| 282 | L | 39.3 | Very low | 39.2 | Very low | 171 Ų | 171 | 159.3 Ų | 159.3 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | | | trans | 161.7 | 80.8 | 138.7 | -85.6 | 158.8 | 0 | 0 | 0 | 106.3 | | |
| 283 | R | 33.8 | Very low | 39.4 | Very low | 239 Ų | 239 | 156.8 Ų | 156.8 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | | | | 26.2 | 129.5 | 91.3 | -83.5 | -166.2 | 179 | -166.8 | 1.9 | 115.7 | | |
| 284 | S | 39.1 | Very low | 39.5 | Very low | 103 Ų | 103 | 161.5 Ų | 161.5 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | | | trans | 89.3 | 105.9 | 158 | -80 | 0 | 0 | 0 | 0 | 119.1 | | |
| 285 | D | 34.6 | Very low | 39.6 | Very low | 145 Ų | 145 | 156.8 Ų | 156.8 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | | | | 37.7 | 101.2 | 118.5 | -60 | -30.2 | 0 | 0 | 0 | 117.1 | | |
| 286 | K | 38.4 | Very low | 39.5 | Very low | 193 Ų | 193 | 156.8 Ų | 156.8 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | | | | 179.6 | 131.5 | 125.2 | -104.2 | 155.3 | 174.6 | 174.9 | 0 | 112.1 | | |
| 287 | S | 36.2 | Very low | 39.5 | Very low | 102 Ų | 102 | 155.9 Ų | 155.9 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | | | trans | 49.1 | 97.7 | 146.7 | 60.9 | 0 | 0 | 0 | 0 | 118.5 | | |
| 288 | F | 37.6 | Very low | 39.5 | Very low | 204 Ų | 204 | 157.4 Ų | 157.4 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | | | trans | -107.6 | 75.9 | 146.1 | -87.8 | -83.6 | 0 | 0 | 0 | 108.5 | | |
| 289 | S | 38.1 | Very low | 40 | Very low | 107 Ų | 107 | 157 Ų | 157 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | | | trans | -92.3 | 83.1 | 159.5 | 173.4 | 0 | 0 | 0 | 0 | 106.4 | | |
| 290 | D | 39 | Very low | 40.8 | Very low | 145 Ų | 145 | 155 Ų | 155 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | | | trans | -155.3 | 73.9 | 170.3 | -88.3 | -32.7 | 0 | 0 | 0 | 108.7 | | |
| 291 | Q | 45.2 | Very low | 41.3 | Very low | 197 Ų | 197 | 159.7 Ų | 159.7 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | | | trans | -104.4 | 99.3 | 158.9 | -77.3 | -163.4 | -14.4 | 0 | 0 | 108.4 | S293 | Q291-S293 PolarHBondContact O-N 3.35Å; Q291-S293 VanDerWaalsContact O-N 3.1Å |
| 292 | K | 41.6 | Very low | 41.7 | Very low | 209 Ų | 209 | 155.2 Ų | 155.2 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | | | trans | -40.6 | 107.1 | 167.7 | -74.6 | 169.9 | 171.2 | 176.3 | 0 | 111.2 | | |
| 293 | S | 46.8 | Very low | 42.1 | Very low | 114 Ų | 114 | 155 Ų | 155 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | | | trans | -75.7 | 119.1 | 158.4 | 34.3 | 0 | 0 | 0 | 0 | 108.5 | Q291 S295 | Q291-S293 PolarHBondContact O-N 3.35Å; Q291-S293 VanDerWaalsContact O-N 3.1Å; S293-S295 PolarHBondContact O-N 3.25Å |
| 294 | F | 40.5 | Very low | 43 | Very low | 195 Ų | 195 | 151 Ų | 151 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | | | trans | -84.1 | 102.6 | 172.9 | -150.1 | -90.8 | 0 | 0 | 0 | 107.2 | V296 | F294-V296 HydrophobicContact CD1-CG2 3.79Å; F294-V296 HydrophobicContact CE1-CG2 3.92Å |
| 295 | S | 42.5 | Very low | 43.4 | Very low | 110 Ų | 110 | 152.4 Ų | 152.4 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | trans | -92.3 | 110.5 | 172.2 | 48.4 | 0 | 0 | 0 | 0 | 109.1 | S293 | S293-S295 PolarHBondContact O-N 3.25Š|
| 296 | V | 41.2 | Very low | 44.3 | Very low | 109 Ų | 109 | 153.7 Ų | 153.7 | 66% | 0.661 | 80% | 0.802 | S | S | * | * | | | trans | -91.3 | 105.4 | 167.1 | 179.4 | 0 | 0 | 0 | 0 | 106.9 | F294 | F294-V296 HydrophobicContact CD1-CG2 3.79Å; F294-V296 HydrophobicContact CE1-CG2 3.92Å |
| 297 | S | 41.5 | Very low | 44.7 | Very low | 108 Ų | 108 | 149.7 Ų | 149.7 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | -78.5 | 132.2 | 162.3 | 49.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 298 | F | 43.3 | Very low | 45.4 | Very low | 192 Ų | 192 | 153.4 Ų | 153.4 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | | | trans | -112.2 | 116.5 | 169.4 | -142.5 | -91.8 | 0 | 0 | 0 | 106.6 | E300 | F298-E300 PolarHBondContact O-N 3.37Š|
| 299 | D | 48.9 | Very low | 46 | Very low | 149 Ų | 149 | 151.3 Ų | 151.3 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | | | trans | -67.6 | 124.8 | 172.5 | -82 | -39 | 0 | 0 | 0 | 108.5 | E301 | D299-E301 PolarHBondContact O-N 3.4Š|
| 300 | E | 54.8 | Low | 46.6 | Very low | 198 Ų | 198 | 153.5 Ų | 153.5 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | | | trans | -83 | 89.7 | 176.4 | -158.8 | 174.4 | -158 | 0 | 0 | 107.4 | F298 S302 | F298-E300 PolarHBondContact O-N 3.37Å; E300-S302 PolarHBondContact O-N 3.32Å |
| 301 | E | 51.1 | Low | 46.9 | Very low | 188 Ų | 188 | 158.2 Ų | 158.2 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | | | trans | -74.5 | 121.1 | 175.2 | -159.1 | 171.1 | -167.6 | 0 | 0 | 109.5 | D299 | D299-E301 PolarHBondContact O-N 3.4Š|
| 302 | S | 42.1 | Very low | 47 | Very low | 82 Ų | 82 | 163.7 Ų | 163.7 | 57% | 0.573 | 82% | 0.82 | S | S | * | * | | | trans | -43.6 | 130.9 | 176.8 | 145.2 | 0 | 0 | 0 | 0 | 113.5 | E300 E304 | E300-S302 PolarHBondContact O-N 3.32Å; S302-E304 PolarHBondContact OG-OE2 3.29Å |
| 303 | L | 48.6 | Very low | 47.2 | Very low | 167 Ų | 167 | 161.4 Ų | 161.4 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | | | trans | -136.1 | 72.7 | 157.3 | -142.7 | 99.8 | 0 | 0 | 0 | 108.3 | | |
| 304 | E | 52 | Low | 47.3 | Very low | 154 Ų | 154 | 163.9 Ų | 163.9 | 72% | 0.72 | 82% | 0.817 | S | S | * | * | | | trans | -64.2 | 158.3 | 153.3 | -80 | 101.2 | 177.2 | 0 | 0 | 110.5 | S302 | S302-E304 PolarHBondContact OG-OE2 3.29Š|
| 305 | D | 48.5 | Very low | 47.6 | Very low | 132 Ų | 132 | 162.2 Ų | 162.2 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | | | trans | 71.2 | 100.5 | 177.8 | -86 | -11.1 | 0 | 0 | 0 | 116.6 | | |
| 306 | I | 51.5 | Low | 47.9 | Very low | 172 Ų | 172 | 165.2 Ų | 165.2 | 88% | 0.882 | 82% | 0.817 | S | S | * | * | | | | -156 | 107 | 107.1 | -75.4 | 127.8 | 0 | 0 | 0 | 106.5 | | |
| 307 | T | 48.3 | Very low | 48.4 | Very low | 110 Ų | 110 | 168.8 Ų | 168.8 | 68% | 0.675 | 83% | 0.827 | S | S | * | * | | | trans | -71.1 | 153.8 | 174.2 | 34.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 308 | E | 49.9 | Very low | 48.8 | Very low | 180 Ų | 180 | 172.8 Ų | 172.8 | 84% | 0.841 | 83% | 0.832 | S | S | * | * | | | trans | -15.9 | 120.9 | 156.6 | -65.2 | 167.6 | 131.7 | 0 | 0 | 116.4 | | |
| 309 | D | 50 | Low | 49.2 | Very low | 159 Ų | 159 | 171.4 Ų | 171.4 | 85% | 0.85 | 83% | 0.831 | S | S | * | * | | | | -179.6 | 107.5 | 125.8 | -112 | -27.6 | 0 | 0 | 0 | 109.3 | | |
| 310 | D | 52 | Low | 49.2 | Very low | 153 Ų | 153 | 173.2 Ų | 173.2 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | | | | -169.3 | 96.7 | 124.4 | -130.8 | -19.5 | 0 | 0 | 0 | 110 | | |
| 311 | R | 44.1 | Very low | 48.8 | Very low | 245 Ų | 245 | 171.1 Ų | 171.1 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | | | trans | -86.4 | 106.3 | 155.5 | -93.3 | -177.8 | 171.6 | 148.2 | -1.4 | 107.4 | | |
| 312 | R | 47.4 | Very low | 48.6 | Very low | 311 Ų | 311 | 169.5 Ų | 169.5 | 100% | 1.174 | 82% | 0.822 | S | S | * | * | | | trans | -144.7 | 0 | 145.6 | -79.1 | -162.7 | 177 | -164.1 | -0.5 | 110.5 | | |