| 1 | G | 42.4 | Very low | 46.5 | Very low | 121 Ų | 121 | 140 Ų | 140 | 100% | 1.247 | 86% | 0.858 | S | S | * | * | | | | 0 | 123.9 | 0 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 2 | V | 42.8 | Very low | 47.1 | Very low | 151 Ų | 151 | 141.7 Ų | 141.7 | 92% | 0.915 | 85% | 0.849 | S | S | * | * | | | trans | -71.7 | 130.8 | -154.8 | -156.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 3 | Y | 45.8 | Very low | 46.6 | Very low | 214 Ų | 214 | 143.2 Ų | 143.2 | 84% | 0.839 | 84% | 0.842 | S | S | * | * | | | trans | -78.6 | 117.6 | 164 | -75.9 | -94.4 | 0 | 0 | 0 | 108.2 | V5 | Y3-V5 PolarHBondContact O-N 3.03Š|
| 4 | A | 57.4 | Low | 46.5 | Very low | 106 Ų | 106 | 140 Ų | 140 | 88% | 0.876 | 83% | 0.827 | S | S | * | * | | | trans | -86.2 | 99.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 5 | V | 52.8 | Low | 45.7 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 72% | 0.721 | 83% | 0.831 | S | S | * | * | | | trans | -87.6 | 110.8 | 169.4 | -152.7 | 0 | 0 | 0 | 0 | 106.4 | Y3 N7 | Y3-V5 PolarHBondContact O-N 3.03Å; V5-N7 PolarHBondContact O-N 3.06Å |
| 6 | G | 47.8 | Very low | 44.8 | Very low | 69 Ų | 69 | 139.8 Ų | 139.8 | 71% | 0.711 | 83% | 0.828 | S | S | * | * | | | trans | -75.3 | 91.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 7 | N | 46.6 | Very low | 44.1 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | | | trans | -74 | 115.3 | 165 | -83.4 | -20.8 | 0 | 0 | 0 | 109.4 | V5 | V5-N7 PolarHBondContact O-N 3.06Š|
| 8 | F | 49.4 | Very low | 43.4 | Very low | 207 Ų | 207 | 139.1 Ų | 139.1 | 91% | 0.908 | 82% | 0.816 | S | S | * | * | | | trans | -112.6 | 104.5 | 156.5 | -70.8 | -77.8 | 0 | 0 | 0 | 108 | | |
| 9 | Q | 40.9 | Very low | 42.8 | Very low | 182 Ų | 182 | 138.3 Ų | 138.3 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 138.5 | 164.2 | -77.5 | -176.8 | 30.5 | 0 | 0 | 109.2 | | |
| 10 | S | 43.2 | Very low | 42.6 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -68 | 125 | 166.3 | 169.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 11 | S | 42.4 | Very low | 42.2 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 124.2 | 171.5 | -170.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 12 | E | 53.8 | Low | 42.3 | Very low | 160 Ų | 160 | 141.5 Ų | 141.5 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 138.5 | 174.6 | -176.6 | 163.5 | 99.7 | 0 | 0 | 110.5 | | |
| 13 | E | 41.1 | Very low | 41.8 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 76% | 0.757 | 80% | 0.798 | S | S | * | * | | | trans | 75.6 | 162.4 | 156.5 | -84.2 | -177 | 109.6 | 0 | 0 | 123.2 | | |
| 14 | P | 45.1 | Very low | 41 | Very low | 98 Ų | 98 | 142.7 Ų | 142.7 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | | | cis | -134.7 | 154.5 | -34.2 | 33.3 | -15.2 | 0 | 0 | 0 | 115.5 | | |
| 15 | N | 33.9 | Very low | 39.9 | Very low | 166 Ų | 166 | 143.5 Ų | 143.5 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | | | trans | 28.6 | 122.2 | 150.8 | -65.1 | -31.2 | 0 | 0 | 0 | 123.3 | | |
| 16 | S | 31.5 | Very low | 39 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | | | trans | -160.9 | 91.4 | 137.4 | -169.7 | 0 | 0 | 0 | 0 | 113 | | |
| 17 | S | 33.4 | Very low | 38.2 | Very low | 86 Ų | 86 | 146 Ų | 146 | 60% | 0.601 | 80% | 0.803 | S | S | * | * | | | trans | 57.3 | 118.1 | 133.1 | 74.4 | 0 | 0 | 0 | 0 | 123.2 | | |
| 18 | H | 30.8 | Very low | 37.8 | Very low | 180 Ų | 180 | 145.6 Ų | 145.6 | 83% | 0.833 | 81% | 0.806 | S | S | * | * | | | trans | 76.4 | 105.2 | 146.2 | -52.3 | -61.5 | 0 | 0 | 0 | 121.4 | | |
| 19 | S | 31.8 | Very low | 37.4 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | | | | -176.6 | 137.7 | 100.8 | 38.7 | 0 | 0 | 0 | 0 | 111 | | |
| 20 | V | 38.5 | Very low | 37.5 | Very low | 143 Ų | 143 | 140 Ų | 140 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | | | trans | -86.2 | 126.9 | -173.1 | 172.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 21 | L | 34.7 | Very low | 37.5 | Very low | 161 Ų | 161 | 142.7 Ų | 142.7 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | | | trans | -158.5 | 117.8 | 150.7 | -118.1 | 150.4 | 0 | 0 | 0 | 111.5 | H23 | L21-H23 PolarHBondContact O-N 3.48Š|
| 22 | L | 44.5 | Very low | 38 | Very low | 160 Ų | 160 | 141.4 Ų | 141.4 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | | | trans | -33.8 | 119.2 | 171.6 | -91.7 | 140.1 | 0 | 0 | 0 | 114.1 | | |
| 23 | H | 32.7 | Very low | 38.1 | Very low | 178 Ų | 178 | 136 Ų | 136 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | trans | -145.7 | 105.2 | 159.9 | -112.2 | -89.1 | 0 | 0 | 0 | 112.1 | L21 | L21-H23 PolarHBondContact O-N 3.48Š|
| 24 | R | 28.9 | Very low | 38.7 | Very low | 212 Ų | 212 | 136 Ų | 136 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | | | trans | 46.7 | 111.1 | 136.2 | -158.6 | 161.9 | -148 | 152.3 | 5.3 | 118.4 | S26 | R24-S26 PolarHBondContact O-N 3.4Š|
| 25 | P | 34.3 | Very low | 39.2 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | | | trans | -65.5 | 130.5 | 165.8 | 26.9 | -29.8 | 0 | 0 | 0 | 109.8 | C27 | P25-C27 PolarHBondContact O-N 3.42Š|
| 26 | S | 33.9 | Very low | 40.4 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | | | trans | -53.7 | 126.6 | 175.5 | -47.3 | 0 | 0 | 0 | 0 | 110.2 | R24 T28 | R24-S26 PolarHBondContact O-N 3.4Å; S26-T28 PolarHBondContact O-N 3.2Å |
| 27 | C | 31.7 | Very low | 41.8 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 87% | 0.865 | 72% | 0.716 | S | S | * | * | | | trans | -61.1 | 104.7 | 178.4 | -169 | 0 | 0 | 0 | 0 | 109.5 | P25 | P25-C27 PolarHBondContact O-N 3.42Š|
| 28 | T | 38.1 | Very low | 43.1 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | | | trans | -65.5 | 128.9 | 162.4 | 43 | 0 | 0 | 0 | 0 | 108.3 | S26 | S26-T28 PolarHBondContact O-N 3.2Š|
| 29 | L | 40.9 | Very low | 44.4 | Very low | 157 Ų | 157 | 127 Ų | 127 | 82% | 0.822 | 70% | 0.699 | S | S | * | * | | | trans | -33.7 | 134 | 168.3 | -77.3 | 134.3 | 0 | 0 | 0 | 111 | H31 | L29-H31 VanDerWaalsContact C-N 3.32Å; L29-H31 PolarHBondContact O-N 3.45Å |
| 30 | P | 41.4 | Very low | 45.6 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 74% | 0.74 | 69% | 0.69 | S | S | * | * | | | trans | -68.5 | 100.6 | 172.3 | 28.9 | -29.8 | 0 | 0 | 0 | 106.9 | V32 | P30-V32 PolarHBondContact O-N 3.33Š|
| 31 | H | 44.6 | Very low | 46.5 | Very low | 170 Ų | 170 | 126.2 Ų | 126.2 | 79% | 0.787 | 67% | 0.674 | S | S | * | * | | | trans | -59.6 | 95.3 | 155.5 | -177.5 | 62.8 | 0 | 0 | 0 | 105.5 | L29 S33 | L29-H31 VanDerWaalsContact C-N 3.32Å; L29-H31 PolarHBondContact O-N 3.45Å; H31-S33 VanDerWaalsContact C-N 3.26Å; H31-S33 PolarHBondContact O-N 3.25Å |
| 32 | V | 51.7 | Low | 47.6 | Very low | 95 Ų | 95 | 124.4 Ų | 124.4 | 58% | 0.576 | 66% | 0.662 | S | S | * | * | | | trans | -64.7 | 98.1 | 168.4 | 134.6 | 0 | 0 | 0 | 0 | 105.2 | P30 A36 V37 | P30-V32 PolarHBondContact O-N 3.33Å; V32-A36 HydrophobicContact CG2-CB 4.39Å; V32-V37 HydrophobicContact CG1-CG2 3.68Å |
| 33 | S | 56.5 | Low | 48 | Very low | 47 Ų | 47 | 122.2 Ų | 122.2 | 33% | 0.329 | 65% | 0.648 | S | S | . | * | | | trans | -63.1 | 150.2 | 168.7 | 60.2 | 0 | 0 | 0 | 0 | 108.2 | H31 E35 A36 | H31-S33 VanDerWaalsContact C-N 3.26Å; H31-S33 PolarHBondContact O-N 3.25Å; S33-E35 PolarHBondContact O-N 3.39Å; S33-E35 VanDerWaalsContact O-N 3.13Å; S33-A36 WeakPolarHBondContact O-CB 3.39Å; S33-A36 PolarHBondContact O-N 2.82Å |
| 34 | Q | 52.9 | Low | 49 | Very low | 162 Ų | 162 | 122.4 Ų | 122.4 | 76% | 0.757 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -57.2 | -29.7 | -178.6 | -148.9 | 172.6 | 79.2 | 0 | 0 | 111.3 | A36 V37 L38 | Q34-A36 PolarHBondContact O-N 2.9Å; Q34-V37 PolarHBondContact O-N 2.99Å; Q34-L38 PolarHBondContact O-N 3.08Å |
| 35 | E | 55.9 | Low | 49.8 | Very low | 129 Ų | 129 | 115.7 Ų | 115.7 | 60% | 0.603 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -58.5 | -36.8 | 170.3 | -79.2 | 72.9 | -157.7 | 0 | 0 | 114.2 | S33 V37 L38 H39 | S33-E35 PolarHBondContact O-N 3.39Å; S33-E35 VanDerWaalsContact O-N 3.13Å; E35-V37 VanDerWaalsContact C-N 3.29Å; E35-V37 PolarHBondContact O-N 3.01Å; E35-L38 PolarHBondContact O-N 3.07Å; E35-H39 WeakPolarHBondContact O-CB 3.22Å; E35-H39 PolarHBondContact O-N 3.04Å |
| 36 | A | 59.4 | Low | 50.2 | Low | 32 Ų | 32 | 112.9 Ų | 112.9 | 26% | 0.264 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -68.2 | -31.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V32 S33 Q34 H40 | V32-A36 HydrophobicContact CG2-CB 4.39Å; S33-A36 WeakPolarHBondContact O-CB 3.39Å; S33-A36 PolarHBondContact O-N 2.82Å; Q34-A36 PolarHBondContact O-N 2.9Å; A36-H40 PolarHBondContact O-N 3.47Å; A36-H40 VanDerWaalsContact O-N 3.14Å; A36-H40 PolarHBondContact O-ND1 3.27Å |
| 37 | V | 62 | Low | 50.8 | Low | 74 Ų | 74 | 115.9 Ų | 115.9 | 45% | 0.448 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -73.5 | -41.1 | 174.5 | -180 | 0 | 0 | 0 | 0 | 110.4 | V32 Q34 E35 H40 L41 | V32-V37 HydrophobicContact CG1-CG2 3.68Å; Q34-V37 PolarHBondContact O-N 2.99Å; E35-V37 VanDerWaalsContact C-N 3.29Å; E35-V37 PolarHBondContact O-N 3.01Å; V37-H40 PolarHBondContact O-N 3.34Å; V37-L41 HydrophobicContact CG1-CD1 3.94Å; V37-L41 WeakPolarHBondContact O-CD1 3.21Å; V37-L41 PolarHBondContact O-N 3.4Å |
| 38 | L | 59.1 | Low | 51.5 | Low | 105 Ų | 105 | 115.1 Ų | 115.1 | 55% | 0.55 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.5 | -41.5 | 175.1 | -69 | 174.3 | 0 | 0 | 0 | 111.8 | Q34 E35 H40 L41 Q42 | Q34-L38 PolarHBondContact O-N 3.08Å; E35-L38 PolarHBondContact O-N 3.07Å; L38-H40 PolarHBondContact O-N 3.42Å; L38-L41 PolarHBondContact O-N 2.87Å; L38-Q42 WeakPolarHBondContact O-CB 3.43Å; L38-Q42 PolarHBondContact O-N 3.39Å |
| 39 | H | 59.9 | Low | 51.6 | Low | 111 Ų | 111 | 113.4 Ų | 113.4 | 51% | 0.514 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.6 | -35.9 | 177.3 | -144.8 | -94.6 | 0 | 0 | 0 | 112.2 | E35 Q42 M43 | E35-H39 WeakPolarHBondContact O-CB 3.22Å; E35-H39 PolarHBondContact O-N 3.04Å; H39-Q42 PolarHBondContact O-N 2.87Å; H39-M43 WeakPolarHBondContact O-CG 3.47Å; H39-M43 PolarHBondContact O-N 3.44Å |
| 40 | H | 56.8 | Low | 51.5 | Low | 148 Ų | 148 | 115.1 Ų | 115.1 | 69% | 0.685 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.9 | -37.7 | 172.7 | -87.7 | 83.2 | 0 | 0 | 0 | 113 | A36 V37 L38 K44 | A36-H40 PolarHBondContact O-N 3.47Å; A36-H40 VanDerWaalsContact O-N 3.14Å; A36-H40 PolarHBondContact O-ND1 3.27Å; V37-H40 PolarHBondContact O-N 3.34Å; L38-H40 PolarHBondContact O-N 3.42Å; H40-K44 WeakPolarHBondContact O-CB 3.45Å; H40-K44 PolarHBondContact O-N 2.88Å |
| 41 | L | 56.7 | Low | 51.3 | Low | 103 Ų | 103 | 114.3 Ų | 114.3 | 54% | 0.539 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.4 | -40.2 | 174.3 | -82.7 | 154.6 | 0 | 0 | 0 | 111.5 | V37 L38 K44 A45 | V37-L41 HydrophobicContact CG1-CD1 3.94Å; V37-L41 WeakPolarHBondContact O-CD1 3.21Å; V37-L41 PolarHBondContact O-N 3.4Å; L38-L41 PolarHBondContact O-N 2.87Å; L41-K44 PolarHBondContact O-N 3.29Å; L41-A45 PolarHBondContact O-N 2.96Å |
| 42 | Q | 57 | Low | 50.9 | Low | 124 Ų | 124 | 109.6 Ų | 109.6 | 58% | 0.579 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -65.4 | -42 | 176.1 | -168.5 | 173.9 | -4.9 | 0 | 0 | 111.7 | L38 H39 K44 A45 S46 | L38-Q42 WeakPolarHBondContact O-CB 3.43Å; L38-Q42 PolarHBondContact O-N 3.39Å; H39-Q42 PolarHBondContact O-N 2.87Å; Q42-K44 VanDerWaalsContact C-N 3.3Å; Q42-K44 PolarHBondContact O-N 2.88Å; Q42-A45 CarbonylContact O-C 3.55Å; Q42-A45 PolarHBondContact O-N 3.06Å; Q42-A45 VanDerWaalsContact O-N 3.08Å; Q42-S46 WeakPolarHBondContact O-CB 3.5Å; Q42-S46 PolarHBondContact O-N 2.88Å; Q42-S46 PolarHBondContact O-OG 2.92Å |
| 43 | M | 54.6 | Low | 50.3 | Low | 114 Ų | 114 | 112.8 Ų | 112.8 | 56% | 0.562 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.8 | -34.1 | 174.1 | -69.6 | -72.4 | 172.7 | 0 | 0 | 112.5 | H39 A45 S46 | H39-M43 WeakPolarHBondContact O-CG 3.47Å; H39-M43 PolarHBondContact O-N 3.44Å; M43-A45 VanDerWaalsContact C-N 3.32Å; M43-S46 PolarHBondContact O-N 3.14Å |
| 44 | K | 52 | Low | 49.6 | Very low | 181 Ų | 181 | 116.7 Ų | 116.7 | 79% | 0.787 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -73.2 | -23 | 173.8 | -173.2 | 169 | 174.6 | -178 | 0 | 113 | H40 L41 Q42 | H40-K44 WeakPolarHBondContact O-CB 3.45Å; H40-K44 PolarHBondContact O-N 2.88Å; L41-K44 PolarHBondContact O-N 3.29Å; Q42-K44 VanDerWaalsContact C-N 3.3Å; Q42-K44 PolarHBondContact O-N 2.88Å |
| 45 | A | 46.8 | Very low | 48.6 | Very low | 72 Ų | 72 | 113.9 Ų | 113.9 | 60% | 0.595 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -86.6 | -24.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L41 Q42 M43 M47 | L41-A45 PolarHBondContact O-N 2.96Å; Q42-A45 CarbonylContact O-C 3.55Å; Q42-A45 PolarHBondContact O-N 3.06Å; Q42-A45 VanDerWaalsContact O-N 3.08Å; M43-A45 VanDerWaalsContact C-N 3.32Å; A45-M47 PolarHBondContact O-N 3.49Å |
| 46 | S | 43.2 | Very low | 47.6 | Very low | 64 Ų | 64 | 112.4 Ų | 112.4 | 45% | 0.448 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.3 | -0.5 | -177.8 | -83.7 | 0 | 0 | 0 | 0 | 116 | Q42 M43 S48 | Q42-S46 WeakPolarHBondContact O-CB 3.5Å; Q42-S46 PolarHBondContact O-N 2.88Å; Q42-S46 PolarHBondContact O-OG 2.92Å; M43-S46 PolarHBondContact O-N 3.14Å; S46-S48 PolarHBondContact O-N 3.07Å |
| 47 | M | 45.3 | Very low | 46.4 | Very low | 176 Ų | 176 | 118.9 Ų | 118.9 | 87% | 0.867 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 10.8 | 171.4 | -59.3 | -59.2 | -76.4 | 0 | 0 | 113 | A45 | A45-M47 PolarHBondContact O-N 3.49Š|
| 48 | S | 46.6 | Very low | 45.3 | Very low | 111 Ų | 111 | 121 Ų | 121 | 78% | 0.776 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -125 | 64.9 | 168.5 | -169.7 | 0 | 0 | 0 | 0 | 109.7 | S46 | S46-S48 PolarHBondContact O-N 3.07Š|
| 49 | S | 39.7 | Very low | 44.6 | Very low | 92 Ų | 92 | 124.6 Ų | 124.6 | 64% | 0.643 | 72% | 0.718 | S | S | * | * | | | trans | -158.8 | 114 | 159 | 54.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 50 | E | 39.4 | Very low | 43.4 | Very low | 194 Ų | 194 | 124.1 Ų | 124.1 | 91% | 0.907 | 73% | 0.728 | S | S | * | * | | | trans | -48.5 | 152.5 | 163.7 | -163.9 | 159.1 | 151.6 | 0 | 0 | 111.5 | | |
| 51 | A | 37.5 | Very low | 42.3 | Very low | 96 Ų | 96 | 123.8 Ų | 123.8 | 79% | 0.793 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -37.9 | 126.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 52 | G | 36 | Very low | 41.6 | Very low | 71 Ų | 71 | 125.9 Ų | 125.9 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | | | | 58 | 97.4 | 127.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 53 | I | 39 | Very low | 41 | Very low | 163 Ų | 163 | 128.5 Ų | 128.5 | 84% | 0.836 | 75% | 0.753 | S | S | * | * | | | trans | -160.7 | 126.6 | 137.7 | 32.3 | 171.5 | 0 | 0 | 0 | 109.2 | A55 | I53-A55 PolarHBondContact O-N 3.35Š|
| 54 | P | 41.6 | Very low | 40.1 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | | | trans | -88.3 | 101.7 | 172.1 | 32.5 | -27.5 | 0 | 0 | 0 | 109.6 | S56 | P54-S56 PolarHBondContact O-N 3Š|
| 55 | A | 32.8 | Very low | 39.1 | Very low | 103 Ų | 103 | 129.3 Ų | 129.3 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | | | trans | -86.5 | 92.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | I53 | I53-A55 PolarHBondContact O-N 3.35Š|
| 56 | S | 34 | Very low | 38.8 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | | | trans | -60.7 | 138.9 | 165.9 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | P54 | P54-S56 PolarHBondContact O-N 3Š|
| 57 | H | 34.8 | Very low | 38.4 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | 7.1 | 125.5 | 151.7 | -54.1 | -87.1 | 0 | 0 | 0 | 119 | | |
| 58 | S | 39.7 | Very low | 38 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | | -174.7 | 111.1 | 128.4 | 57.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 59 | E | 43 | Very low | 37.3 | Very low | 181 Ų | 181 | 143.5 Ų | 143.5 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | -59.3 | 135.2 | 150.6 | 49.6 | -149.3 | 84.9 | 0 | 0 | 112.9 | | |
| 60 | S | 34.7 | Very low | 37.1 | Very low | 102 Ų | 102 | 149 Ų | 149 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | | | trans | 177.9 | 99.2 | 159.1 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 61 | L | 34.8 | Very low | 37.7 | Very low | 141 Ų | 141 | 143.2 Ų | 143.2 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | | | | 72.9 | 107.8 | 99.5 | -70 | 165.9 | 0 | 0 | 0 | 116.7 | | |
| 62 | L | 40.8 | Very low | 37.6 | Very low | 147 Ų | 147 | 145.3 Ų | 145.3 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | | | trans | 73.8 | 159.7 | 139 | -53.4 | 177.3 | 0 | 0 | 0 | 120.2 | | |
| 63 | H | 45.2 | Very low | 37.6 | Very low | 179 Ų | 179 | 149 Ų | 149 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | | | trans | 93.2 | 88.7 | -177.7 | -46.7 | -65 | 0 | 0 | 0 | 114.1 | | |
| 64 | R | 35.9 | Very low | 37.5 | Very low | 246 Ų | 246 | 147.4 Ų | 147.4 | 93% | 0.928 | 79% | 0.788 | S | S | * | * | | | | 61.3 | 106 | 66.6 | -170 | -173.6 | -75.3 | -98.1 | 2.2 | 114.5 | | |
| 65 | G | 31.5 | Very low | 37.6 | Very low | 66 Ų | 66 | 149.2 Ų | 149.2 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | | | | 90.1 | 114.2 | 119.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 66 | L | 40.5 | Very low | 38.2 | Very low | 177 Ų | 177 | 154.1 Ų | 154.1 | 93% | 0.927 | 79% | 0.792 | S | S | * | * | | | trans | 28 | 123.5 | 133.6 | -67.5 | 163.6 | 0 | 0 | 0 | 121.8 | | |
| 67 | Q | 34.3 | Very low | 38.7 | Very low | 176 Ų | 176 | 156 Ų | 156 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | | | | 175.3 | 117.1 | 128.1 | -103.1 | -165.3 | -4 | 0 | 0 | 108.6 | | |
| 68 | Q | 36.4 | Very low | 38.8 | Very low | 174 Ų | 174 | 153.9 Ų | 153.9 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | | | | 65.5 | 97 | 78 | -162.8 | 166.8 | 20.4 | 0 | 0 | 114.8 | | |
| 69 | Q | 32.2 | Very low | 38.6 | Very low | 193 Ų | 193 | 155.7 Ų | 155.7 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | | | trans | -168.3 | 120.8 | 142.9 | -113.3 | -176.5 | -56.8 | 0 | 0 | 113.7 | | |
| 70 | R | 34.4 | Very low | 38.4 | Very low | 207 Ų | 207 | 151.2 Ų | 151.2 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | | | trans | -113.6 | 175.2 | 148.8 | -131.4 | -81.5 | -124.5 | 169.5 | 12 | 103.3 | | |
| 71 | P | 52.6 | Low | 38.5 | Very low | 74 Ų | 74 | 153.6 Ų | 153.6 | 48% | 0.481 | 81% | 0.807 | S | S | . | * | | | cis | -114.2 | -174.9 | -2.8 | 14.7 | 12.3 | 0 | 0 | 0 | 114.1 | | |
| 72 | E | 36 | Very low | 38.9 | Very low | 140 Ų | 140 | 151.8 Ų | 151.8 | 65% | 0.654 | 80% | 0.802 | S | S | * | * | | | | -175.8 | 135.2 | 79.3 | -12.5 | -71.4 | 166.4 | 0 | 0 | 109.1 | | |
| 73 | D | 34.8 | Very low | 39.1 | Very low | 149 Ų | 149 | 152.7 Ų | 152.7 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | | 69.3 | 109.1 | 106.1 | -69.1 | -21.7 | 0 | 0 | 0 | 118.2 | | |
| 74 | S | 38.1 | Very low | 39.5 | Very low | 129 Ų | 129 | 150.7 Ų | 150.7 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | | | | -170.6 | 139.2 | 129.6 | 59.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 75 | L | 43 | Very low | 39.5 | Very low | 167 Ų | 167 | 147.4 Ų | 147.4 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | -88.3 | 145.4 | -174.2 | -59.6 | 143.8 | 0 | 0 | 0 | 111.2 | | |
| 76 | K | 46.7 | Very low | 40.2 | Very low | 206 Ų | 206 | 149.4 Ų | 149.4 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | | | | 166.7 | 126.2 | 127.3 | -95.9 | 168.9 | 165.7 | -178.5 | 0 | 113.2 | | |
| 77 | C | 43.5 | Very low | 40.3 | Very low | 136 Ų | 136 | 147.1 Ų | 147.1 | 92% | 0.919 | 80% | 0.798 | S | S | * | * | | | trans | -69.5 | 137.1 | 160.6 | -50.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 78 | S | 36.4 | Very low | 40.9 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | | | trans | -145 | 138.8 | 165.5 | 176.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 79 | N | 36.3 | Very low | 41 | Very low | 156 Ų | 156 | 140.3 Ų | 140.3 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | trans | -69.9 | 153.8 | -161 | -105.4 | -33 | 0 | 0 | 0 | 116.8 | | |
| 80 | A | 39.2 | Very low | 41.9 | Very low | 87 Ų | 87 | 137.4 Ų | 137.4 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | | | trans | -8.9 | 135.7 | 148.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 81 | N | 36.4 | Very low | 42.2 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | | | | -174.4 | 152.9 | 103.3 | -149.9 | 4.7 | 0 | 0 | 0 | 113.1 | | |
| 82 | V | 43.7 | Very low | 41.8 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 63% | 0.63 | 80% | 0.795 | S | S | * | * | | | trans | 79.8 | 120.9 | 146.8 | 159.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 83 | E | 44.3 | Very low | 42.3 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | trans | 67.9 | 111 | 149.5 | -78.3 | 175.6 | 135.6 | 0 | 0 | 122.5 | M85 | E83-M85 PolarHBondContact O-N 3.27Š|
| 84 | V | 52.4 | Low | 42.8 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | | | | 34.8 | 89.5 | 123.1 | -174.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 85 | M | 37.8 | Very low | 43.1 | Very low | 177 Ų | 177 | 136.5 Ų | 136.5 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | | | trans | -144.9 | 137 | 138.6 | -73.9 | -144.6 | 81.8 | 0 | 0 | 109.7 | E83 | E83-M85 PolarHBondContact O-N 3.27Š|
| 86 | S | 45.7 | Very low | 43.2 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | -38.9 | 135.7 | -177.5 | -56.4 | 0 | 0 | 0 | 0 | 115.5 | C88 | S86-C88 PolarHBondContact O-N 3.46Š|
| 87 | P | 41.7 | Very low | 43.3 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | | | trans | -77.6 | 96.6 | 165.7 | 30.3 | -28.3 | 0 | 0 | 0 | 109 | S89 | P87-S89 PolarHBondContact O-N 3.46Š|
| 88 | C | 46.5 | Very low | 43.5 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | | | trans | -72.3 | 104.7 | 150.6 | -169.7 | 0 | 0 | 0 | 0 | 106.4 | S86 P90 | S86-C88 PolarHBondContact O-N 3.46Å; C88-P90 WeakPolarHBondContact O-CD 3.47Å |
| 89 | S | 39.3 | Very low | 44 | Very low | 86 Ų | 86 | 133.5 Ų | 133.5 | 60% | 0.601 | 77% | 0.766 | S | S | * | * | | | trans | -79 | 124.1 | 172.8 | 50.5 | 0 | 0 | 0 | 0 | 109.7 | P87 Q91 | P87-S89 PolarHBondContact O-N 3.46Å; S89-Q91 PolarHBondContact O-N 3.13Å |
| 90 | P | 52.1 | Low | 44.3 | Very low | 132 Ų | 132 | 130.4 Ų | 130.4 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | | | trans | -90.3 | 71.8 | 161.4 | 34.5 | -25.7 | 0 | 0 | 0 | 107 | C88 S92 | C88-P90 WeakPolarHBondContact O-CD 3.47Å; P90-S92 PolarHBondContact O-N 3.32Å |
| 91 | Q | 39.7 | Very low | 45 | Very low | 163 Ų | 163 | 134.9 Ų | 134.9 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | | | trans | -89.9 | 103.2 | 176.1 | -168.3 | 164 | 5.5 | 0 | 0 | 109.3 | S89 K93 | S89-Q91 PolarHBondContact O-N 3.13Å; Q91-K93 PolarHBondContact O-N 3.2Å |
| 92 | S | 44.5 | Very low | 45.6 | Very low | 97 Ų | 97 | 133.1 Ų | 133.1 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | | | trans | -46 | 130.9 | 160.8 | 65.9 | 0 | 0 | 0 | 0 | 110.8 | P90 | P90-S92 PolarHBondContact O-N 3.32Š|
| 93 | K | 45.9 | Very low | 46.3 | Very low | 179 Ų | 179 | 135.3 Ų | 135.3 | 78% | 0.778 | 77% | 0.765 | S | S | * | * | | | trans | -179.8 | 126.6 | 132.3 | -103.9 | 164.7 | 177.6 | 178.9 | 0 | 109.6 | Q91 | Q91-K93 PolarHBondContact O-N 3.2Š|
| 94 | D | 45 | Very low | 46.6 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | | | trans | 61 | 84.7 | 160 | -46.6 | -33.1 | 0 | 0 | 0 | 114.5 | M96 | D94-M96 HydrophobicContact CB-CG 4.38Å; D94-M96 PolarHBondContact O-N 2.9Å |
| 95 | A | 44.5 | Very low | 47 | Very low | 108 Ų | 108 | 137 Ų | 137 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | | | trans | -59 | 80 | 144.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | M97 | A95-M97 PolarHBondContact O-N 3.06Š|
| 96 | M | 45.4 | Very low | 47.9 | Very low | 169 Ų | 169 | 132 Ų | 132 | 83% | 0.833 | 74% | 0.743 | S | S | * | * | | | trans | -59.5 | 93.5 | 157.1 | -77.6 | -116.6 | -68.8 | 0 | 0 | 105.4 | D94 S98 | D94-M96 HydrophobicContact CB-CG 4.38Å; D94-M96 PolarHBondContact O-N 2.9Å; M96-S98 PolarHBondContact O-N 3.47Å |
| 97 | M | 49.9 | Very low | 48.2 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 72% | 0.724 | 74% | 0.739 | S | S | * | * | | | trans | -58.8 | 89.5 | 162.3 | -170.5 | 95.4 | 114.9 | 0 | 0 | 105.7 | A95 F99 | A95-M97 PolarHBondContact O-N 3.06Å; M97-F99 VanDerWaalsContact C-N 3.25Å; M97-F99 HydrophobicContact CB-CE2 4.47Å; M97-F99 HydrophobicContact CG-CE1 4.39Å; M97-F99 HydrophobicContact CG-CE2 4.42Å; M97-F99 HydrophobicContact CG-CZ 4.25Å; M97-F99 WeakPolarHBondContact O-CD2 3.46Å; M97-F99 PolarHBondContact O-N 3.22Å |
| 98 | S | 46.2 | Very low | 49.6 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | | | trans | -64.4 | 96 | 168.6 | -174.5 | 0 | 0 | 0 | 0 | 105.9 | M96 S100 | M96-S98 PolarHBondContact O-N 3.47Å; S98-S100 VanDerWaalsContact C-N 3.27Å; S98-S100 PolarHBondContact O-N 3.23Å |
| 99 | F | 48.1 | Very low | 50.6 | Low | 153 Ų | 153 | 130.8 Ų | 130.8 | 67% | 0.671 | 72% | 0.716 | S | S | * | * | | | trans | -58.7 | 101.1 | 165.4 | -65.6 | -83.8 | 0 | 0 | 0 | 105.9 | M97 H101 | M97-F99 VanDerWaalsContact C-N 3.25Å; M97-F99 HydrophobicContact CB-CE2 4.47Å; M97-F99 HydrophobicContact CG-CE1 4.39Å; M97-F99 HydrophobicContact CG-CE2 4.42Å; M97-F99 HydrophobicContact CG-CZ 4.25Å; M97-F99 WeakPolarHBondContact O-CD2 3.46Å; M97-F99 PolarHBondContact O-N 3.22Å; F99-H101 PolarHBondContact O-N 2.94Å |
| 100 | S | 42.1 | Very low | 52.1 | Low | 92 Ų | 92 | 134.2 Ų | 134.2 | 64% | 0.643 | 72% | 0.723 | S | S | * | * | | | trans | -62.4 | 96.3 | 169 | -62.6 | 0 | 0 | 0 | 0 | 106.2 | S98 T102 | S98-S100 VanDerWaalsContact C-N 3.27Å; S98-S100 PolarHBondContact O-N 3.23Å; S100-T102 PolarHBondContact O-N 3.05Å |
| 101 | H | 53.5 | Low | 53.1 | Low | 181 Ų | 181 | 129.6 Ų | 129.6 | 84% | 0.838 | 70% | 0.696 | S | S | * | * | | | trans | -68.9 | 48.4 | 163 | -78.8 | -71 | 0 | 0 | 0 | 110.1 | F99 L103 | F99-H101 PolarHBondContact O-N 2.94Å; H101-L103 PolarHBondContact O-N 2.8Å; H101-L103 VanDerWaalsContact O-N 3.09Å |
| 102 | T | 49.3 | Very low | 55 | Low | 113 Ų | 113 | 125.6 Ų | 125.6 | 69% | 0.693 | 68% | 0.679 | S | S | * | * | | | trans | -80.2 | 87.9 | 162.3 | 49.1 | 0 | 0 | 0 | 0 | 105.8 | S100 | S100-T102 PolarHBondContact O-N 3.05Š|
| 103 | L | 57.5 | Low | 56.6 | Low | 150 Ų | 150 | 123.4 Ų | 123.4 | 79% | 0.785 | 67% | 0.667 | S | S | * | * | | | trans | -39.1 | 136.5 | 149.8 | -69.1 | 170.4 | 0 | 0 | 0 | 107.2 | H101 R105 | H101-L103 PolarHBondContact O-N 2.8Å; H101-L103 VanDerWaalsContact O-N 3.09Å; L103-R105 PolarHBondContact O-N 3.46Å |
| 104 | P | 52.6 | Low | 58.2 | Low | 111 Ų | 111 | 117.7 Ų | 117.7 | 72% | 0.721 | 65% | 0.653 | S | S | * | * | | | trans | -52.3 | 109.1 | 179.8 | 20.8 | -30.8 | 0 | 0 | 0 | 106.8 | V106 | P104-V106 PolarHBondContact O-N 2.74Š|
| 105 | R | 59.5 | Low | 59.8 | Low | 226 Ų | 226 | 120 Ų | 120 | 85% | 0.853 | 65% | 0.653 | S | S | * | * | | | trans | -71.7 | 89.6 | 176.9 | -167.9 | 174.1 | -173.2 | 95.8 | -0.8 | 104.3 | L103 H107 | L103-R105 PolarHBondContact O-N 3.46Å; R105-H107 PolarHBondContact O-N 3.37Å |
| 106 | V | 56 | Low | 61.5 | Low | 73 Ų | 73 | 120.5 Ų | 120.5 | 44% | 0.442 | 64% | 0.637 | S | S | . | * | | | trans | -65.9 | 80.3 | 174.4 | 160.7 | 0 | 0 | 0 | 0 | 106.7 | P104 A111 I112 | P104-V106 PolarHBondContact O-N 2.74Å; V106-A111 HydrophobicContact CB-CB 4.29Å; V106-A111 HydrophobicContact CG1-CB 3.21Å; V106-A111 HydrophobicContact CG2-CB 4.22Å; V106-I112 HydrophobicContact CG1-CG1 4.48Å |
| 107 | H | 53.5 | Low | 63.1 | Low | 147 Ų | 147 | 115.3 Ų | 115.3 | 68% | 0.681 | 61% | 0.611 | S | S | * | * | | | trans | -108.7 | 30.3 | 170.8 | -156.8 | -69.8 | 0 | 0 | 0 | 110.3 | R105 | R105-H107 PolarHBondContact O-N 3.37Š|
| 108 | T | 69.9 | Low | 64.4 | Low | 81 Ų | 81 | 110 Ų | 110 | 50% | 0.497 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -98.7 | 126.7 | 168.4 | -41.5 | 0 | 0 | 0 | 0 | 107.4 | Q110 A111 I112 | T108-Q110 HydrophobicContact CG2-CB 4.32Å; T108-Q110 PolarHBondContact O-N 2.77Å; T108-A111 PolarHBondContact O-N 2.73Å; T108-I112 PolarHBondContact O-N 3.43Å |
| 109 | P | 68.9 | Low | 65.9 | Low | 105 Ų | 105 | 107.5 Ų | 107.5 | 68% | 0.682 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -50 | -33 | 179.3 | -29.4 | 34.8 | 0 | 0 | 0 | 113.7 | A111 I112 A113 | P109-A111 PolarHBondContact O-N 3.26Å; P109-I112 PolarHBondContact O-N 3.31Å; P109-A113 WeakPolarHBondContact O-CB 3.49Å; P109-A113 PolarHBondContact O-N 3.41Å |
| 110 | Q | 70.3 | Confident | 67.2 | Low | 159 Ų | 159 | 106.7 Ų | 106.7 | 74% | 0.743 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.4 | -34.9 | 179.6 | -166.7 | 173.7 | 6.4 | 0 | 0 | 113.8 | T108 A114 | T108-Q110 HydrophobicContact CG2-CB 4.32Å; T108-Q110 PolarHBondContact O-N 2.77Å; Q110-A114 WeakPolarHBondContact O-CB 3.33Å; Q110-A114 PolarHBondContact O-N 2.84Å |
| 111 | A | 73.4 | Confident | 68.7 | Low | 35 Ų | 35 | 109.4 Ų | 109.4 | 29% | 0.289 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -87.1 | -23 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112 | V106 T108 P109 Y115 | V106-A111 HydrophobicContact CB-CB 4.29Å; V106-A111 HydrophobicContact CG1-CB 3.21Å; V106-A111 HydrophobicContact CG2-CB 4.22Å; T108-A111 PolarHBondContact O-N 2.73Å; P109-A111 PolarHBondContact O-N 3.26Å; A111-Y115 WeakPolarHBondContact O-CB 3.25Å; A111-Y115 PolarHBondContact O-N 3.47Å; A111-Y115 VanDerWaalsContact O-N 3.08Å |
| 112 | I | 78.9 | Confident | 69.3 | Low | 78 Ų | 78 | 106.7 Ų | 106.7 | 40% | 0.4 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65 | -48.5 | 162.9 | -61.8 | 171.8 | 0 | 0 | 0 | 109.9 | V106 T108 P109 A114 Y115 E116 | V106-I112 HydrophobicContact CG1-CG1 4.48Å; T108-I112 PolarHBondContact O-N 3.43Å; P109-I112 PolarHBondContact O-N 3.31Å; I112-A114 VanDerWaalsContact C-N 3.34Å; I112-A114 PolarHBondContact O-N 3.49Å; I112-Y115 PolarHBondContact O-N 2.96Å; I112-Y115 VanDerWaalsContact O-N 3.16Å; I112-E116 PolarHBondContact O-N 3.32Å |
| 113 | A | 79.3 | Confident | 70.1 | Confident | 51 Ų | 51 | 103.4 Ų | 103.4 | 42% | 0.421 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.3 | -38.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | P109 E116 E117 | P109-A113 WeakPolarHBondContact O-CB 3.49Å; P109-A113 PolarHBondContact O-N 3.41Å; A113-E116 PolarHBondContact O-N 3.01Å; A113-E117 WeakPolarHBondContact O-CB 3.4Å; A113-E117 PolarHBondContact O-N 3.02Å |
| 114 | A | 78.6 | Confident | 70.3 | Confident | 60 Ų | 60 | 98.6 Ų | 98.6 | 50% | 0.496 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q110 I112 A118 | Q110-A114 WeakPolarHBondContact O-CB 3.33Å; Q110-A114 PolarHBondContact O-N 2.84Å; I112-A114 VanDerWaalsContact C-N 3.34Å; I112-A114 PolarHBondContact O-N 3.49Å; A114-A118 WeakPolarHBondContact O-CB 3.31Å; A114-A118 PolarHBondContact O-N 2.85Å |
| 115 | Y | 78.9 | Confident | 70.7 | Confident | 181 Ų | 181 | 98 Ų | 98 | 71% | 0.71 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.1 | -42.7 | 175.5 | -174.2 | -95 | 0 | 0 | 0 | 111.8 | A111 I112 A118 A119 | A111-Y115 WeakPolarHBondContact O-CB 3.25Å; A111-Y115 PolarHBondContact O-N 3.47Å; A111-Y115 VanDerWaalsContact O-N 3.08Å; I112-Y115 PolarHBondContact O-N 2.96Å; I112-Y115 VanDerWaalsContact O-N 3.16Å; Y115-A118 PolarHBondContact O-N 2.87Å; Y115-A119 WeakPolarHBondContact O-CB 3.34Å; Y115-A119 PolarHBondContact O-N 2.96Å |
| 116 | E | 80.1 | Confident | 70.7 | Confident | 118 Ų | 118 | 93.4 Ų | 93.4 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.1 | -40.7 | 175.7 | -73.4 | -178.2 | 167 | 0 | 0 | 112.5 | I112 A113 A119 R120 | I112-E116 PolarHBondContact O-N 3.32Å; A113-E116 PolarHBondContact O-N 3.01Å; E116-A119 PolarHBondContact O-N 3.2Å; E116-R120 PolarHBondContact O-N 2.93Å |
| 117 | E | 79.4 | Confident | 70.7 | Confident | 61 Ų | 61 | 97.4 Ų | 97.4 | 29% | 0.285 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66 | -41.7 | 175.2 | -178.2 | 71.6 | -126.8 | 0 | 0 | 111.6 | A113 R120 R121 | A113-E117 WeakPolarHBondContact O-CB 3.4Å; A113-E117 PolarHBondContact O-N 3.02Å; E117-R120 PolarHBondContact O-N 2.79Å; E117-R120 IonicContact OE1-CZ 3.72Å; E117-R120 IonicContact OE1-NH1 2.94Å; E117-R120 PolarHBondContact OE1-NH1 2.76Å; E117-R120 IonicContact OE1-NH2 3.75Å; E117-R120 IonicContact OE2-CZ 3.33Å; E117-R120 IonicContact OE2-NH1 3.2Å; E117-R120 PolarHBondContact OE2-NH1 2.82Å; E117-R120 IonicContact OE2-NH2 2.62Å; E117-R120 PolarHBondContact OE2-NH2 2.81Å; E117-R121 VanDerWaalsContact CG-NH1 3.26Å; E117-R121 WeakPolarHBondContact O-CG 3.33Å; E117-R121 PolarHBondContact O-N 2.78Å; E117-R121 VanDerWaalsContact O-N 3.1Å; E117-R121 IonicContact OE1-CZ 3.28Å; E117-R121 VanDerWaalsContact OE1-CZ 3.28Å; E117-R121 IonicContact OE1-NE 3.48Å; E117-R121 PolarHBondContact OE1-NE 2.75Å; E117-R121 IonicContact OE1-NH2 2.93Å; E117-R121 PolarHBondContact OE1-NH2 3.09Å |
| 118 | A | 77 | Confident | 70.6 | Confident | 35 Ų | 35 | 98.3 Ų | 98.3 | 29% | 0.289 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | A114 Y115 R120 R121 H122 | A114-A118 WeakPolarHBondContact O-CB 3.31Å; A114-A118 PolarHBondContact O-N 2.85Å; Y115-A118 PolarHBondContact O-N 2.87Å; A118-R120 VanDerWaalsContact C-N 3.34Å; A118-R120 PolarHBondContact O-N 3.48Å; A118-R121 PolarHBondContact O-N 3.1Å; A118-R121 VanDerWaalsContact O-N 3.16Å; A118-H122 PolarHBondContact O-CD2 3.16Å; A118-H122 PolarHBondContact O-N 2.85Å |
| 119 | A | 77.8 | Confident | 69.8 | Low | 47 Ų | 47 | 97.6 Ų | 97.6 | 39% | 0.388 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.5 | -42 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y115 E116 R121 H122 A123 | Y115-A119 WeakPolarHBondContact O-CB 3.34Å; Y115-A119 PolarHBondContact O-N 2.96Å; E116-A119 PolarHBondContact O-N 3.2Å; A119-R121 PolarHBondContact O-N 3.44Å; A119-H122 PolarHBondContact O-N 2.62Å; A119-A123 WeakPolarHBondContact O-CB 3.33Å; A119-A123 PolarHBondContact O-N 2.94Å |
| 120 | R | 74.5 | Confident | 69 | Low | 137 Ų | 137 | 97.6 Ų | 97.6 | 52% | 0.517 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 174.4 | -81.5 | -168.4 | -73.8 | 100.1 | -4.3 | 112.9 | E116 E117 A118 A123 A124 | E116-R120 PolarHBondContact O-N 2.93Å; E117-R120 PolarHBondContact O-N 2.79Å; E117-R120 IonicContact OE1-CZ 3.72Å; E117-R120 IonicContact OE1-NH1 2.94Å; E117-R120 PolarHBondContact OE1-NH1 2.76Å; E117-R120 IonicContact OE1-NH2 3.75Å; E117-R120 IonicContact OE2-CZ 3.33Å; E117-R120 IonicContact OE2-NH1 3.2Å; E117-R120 PolarHBondContact OE2-NH1 2.82Å; E117-R120 IonicContact OE2-NH2 2.62Å; E117-R120 PolarHBondContact OE2-NH2 2.81Å; A118-R120 VanDerWaalsContact C-N 3.34Å; A118-R120 PolarHBondContact O-N 3.48Å; R120-A123 PolarHBondContact O-N 2.93Å; R120-A124 WeakPolarHBondContact O-CB 3.34Å; R120-A124 PolarHBondContact O-N 3.43Å |
| 121 | R | 73.1 | Confident | 68.9 | Low | 148 Ų | 148 | 97.8 Ų | 97.8 | 56% | 0.558 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.1 | -42.1 | 175.6 | -70.5 | -178.1 | -174.5 | 123.3 | 9.9 | 111.8 | E117 A118 A119 A124 T125 | E117-R121 VanDerWaalsContact CG-NH1 3.26Å; E117-R121 WeakPolarHBondContact O-CG 3.33Å; E117-R121 PolarHBondContact O-N 2.78Å; E117-R121 VanDerWaalsContact O-N 3.1Å; E117-R121 IonicContact OE1-CZ 3.28Å; E117-R121 VanDerWaalsContact OE1-CZ 3.28Å; E117-R121 IonicContact OE1-NE 3.48Å; E117-R121 PolarHBondContact OE1-NE 2.75Å; E117-R121 IonicContact OE1-NH2 2.93Å; E117-R121 PolarHBondContact OE1-NH2 3.09Å; A118-R121 PolarHBondContact O-N 3.1Å; A118-R121 VanDerWaalsContact O-N 3.16Å; A119-R121 PolarHBondContact O-N 3.44Å; R121-A124 PolarHBondContact O-N 3.35Å; R121-T125 WeakPolarHBondContact O-CB 3.43Å; R121-T125 PolarHBondContact O-N 2.94Å; R121-T125 PolarHBondContact O-OG1 2.93Å |
| 122 | H | 67.6 | Low | 68.9 | Low | 124 Ų | 124 | 99.9 Ų | 99.9 | 57% | 0.574 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.1 | -39.6 | 176.9 | -69.3 | -58.7 | 0 | 0 | 0 | 112.4 | A118 A119 T125 L126 | A118-H122 PolarHBondContact O-CD2 3.16Å; A118-H122 PolarHBondContact O-N 2.85Å; A119-H122 PolarHBondContact O-N 2.62Å; H122-T125 PolarHBondContact O-N 3.24Å; H122-L126 WeakPolarHBondContact O-CB 3.44Å; H122-L126 WeakPolarHBondContact O-CG 3.18Å; H122-L126 PolarHBondContact O-N 2.91Å |
| 123 | A | 64.4 | Low | 68.6 | Low | 44 Ų | 44 | 99.6 Ų | 99.6 | 36% | 0.364 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.5 | -49.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A119 R120 T125 L126 H127 | A119-A123 WeakPolarHBondContact O-CB 3.33Å; A119-A123 PolarHBondContact O-N 2.94Å; R120-A123 PolarHBondContact O-N 2.93Å; A123-T125 VanDerWaalsContact C-N 3.29Å; A123-T125 PolarHBondContact O-N 3.08Å; A123-L126 PolarHBondContact O-N 3.4Å; A123-H127 PolarHBondContact O-CD2 3.19Å; A123-H127 PolarHBondContact O-N 3.21Å |
| 124 | A | 62.6 | Low | 68.7 | Low | 50 Ų | 50 | 100.7 Ų | 100.7 | 41% | 0.413 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.2 | -39.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R120 R121 H127 H128 | R120-A124 WeakPolarHBondContact O-CB 3.34Å; R120-A124 PolarHBondContact O-N 3.43Å; R121-A124 PolarHBondContact O-N 3.35Å; A124-H127 PolarHBondContact O-N 3.27Å; A124-H128 PolarHBondContact O-CD2 3.36Å; A124-H128 PolarHBondContact O-N 3.36Å |
| 125 | T | 60.8 | Low | 68.8 | Low | 99 Ų | 99 | 105.6 Ų | 105.6 | 61% | 0.607 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -71.2 | -35.5 | -179.2 | -39.7 | 0 | 0 | 0 | 0 | 112.4 | R121 H122 A123 A129 | R121-T125 WeakPolarHBondContact O-CB 3.43Å; R121-T125 PolarHBondContact O-N 2.94Å; R121-T125 PolarHBondContact O-OG1 2.93Å; H122-T125 PolarHBondContact O-N 3.24Å; A123-T125 VanDerWaalsContact C-N 3.29Å; A123-T125 PolarHBondContact O-N 3.08Å; T125-A129 PolarHBondContact O-N 2.89Å |
| 126 | L | 59.4 | Low | 69.2 | Low | 129 Ų | 129 | 99.8 Ų | 99.8 | 68% | 0.675 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -72.7 | -33.9 | 176.6 | -77.9 | 164.7 | 0 | 0 | 0 | 112.6 | H122 A123 H128 A129 | H122-L126 WeakPolarHBondContact O-CB 3.44Å; H122-L126 WeakPolarHBondContact O-CG 3.18Å; H122-L126 PolarHBondContact O-N 2.91Å; A123-L126 PolarHBondContact O-N 3.4Å; L126-H128 VanDerWaalsContact C-N 3.29Å; L126-H128 PolarHBondContact O-N 3.18Å; L126-A129 PolarHBondContact O-N 3.05Å |
| 127 | H | 55.4 | Low | 69.7 | Low | 157 Ų | 157 | 101.1 Ų | 101.1 | 73% | 0.727 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -72.2 | -19.8 | 176.7 | -74.8 | -66 | 0 | 0 | 0 | 113.7 | A123 A124 | A123-H127 PolarHBondContact O-CD2 3.19Å; A123-H127 PolarHBondContact O-N 3.21Å; A124-H127 PolarHBondContact O-N 3.27Å |
| 128 | H | 52.4 | Low | 70.2 | Confident | 166 Ų | 166 | 104.4 Ų | 104.4 | 77% | 0.769 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -93.4 | -8.7 | 174.4 | -68.3 | -55.6 | 0 | 0 | 0 | 114.4 | A124 L126 S130 | A124-H128 PolarHBondContact O-CD2 3.36Å; A124-H128 PolarHBondContact O-N 3.36Å; L126-H128 VanDerWaalsContact C-N 3.29Å; L126-H128 PolarHBondContact O-N 3.18Å; H128-S130 PolarHBondContact O-N 3.3Å |
| 129 | A | 52.7 | Low | 70.9 | Confident | 66 Ų | 66 | 107.2 Ų | 107.2 | 55% | 0.545 | 57% | 0.566 | S | S | . | * | | | trans | -77.1 | 70.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | T125 L126 M131 | T125-A129 PolarHBondContact O-N 2.89Å; L126-A129 PolarHBondContact O-N 3.05Å; A129-M131 VanDerWaalsContact C-N 3.26Å; A129-M131 PolarHBondContact O-N 3.46Å |
| 130 | S | 52.1 | Low | 71.4 | Confident | 104 Ų | 104 | 109.5 Ų | 109.5 | 73% | 0.727 | 57% | 0.571 | S | S | * | * | | | trans | -53.1 | 97.9 | 164.9 | 158.4 | 0 | 0 | 0 | 0 | 107.2 | H128 D132 | H128-S130 PolarHBondContact O-N 3.3Å; S130-D132 PolarHBondContact O-N 2.98Å |
| 131 | M | 67.2 | Low | 71.9 | Confident | 163 Ų | 163 | 106.6 Ų | 106.6 | 80% | 0.803 | 57% | 0.571 | S | S | * | * | | | trans | -62.2 | 94 | 166.1 | -78.3 | 176.1 | 56.7 | 0 | 0 | 106.1 | A129 S133 | A129-M131 VanDerWaalsContact C-N 3.26Å; A129-M131 PolarHBondContact O-N 3.46Å; M131-S133 PolarHBondContact O-N 3.49Å |
| 132 | D | 74.1 | Confident | 72.7 | Confident | 80 Ų | 80 | 105.5 Ų | 105.5 | 43% | 0.428 | 57% | 0.572 | S | S | . | * | | | trans | -62.2 | 105.4 | 172.1 | -179.5 | -2 | 0 | 0 | 0 | 107.4 | S130 S134 R135 S136 | S130-D132 PolarHBondContact O-N 2.98Å; D132-S134 PolarHBondContact O-N 3.26Å; D132-S134 VanDerWaalsContact O-N 3.16Å; D132-S134 WeakPolarHBondContact OD1-CA 3.18Å; D132-S134 WeakPolarHBondContact OD1-CB 3.48Å; D132-S134 PolarHBondContact OD1-N 2.63Å; D132-S134 PolarHBondContact OD1-OG 2.99Å; D132-S134 PolarHBondContact OD2-OG 3.4Å; D132-R135 HydrophobicContact CB-CB 4Å; D132-R135 PolarHBondContact O-N 3.41Å; D132-R135 VanDerWaalsContact O-N 3.08Å; D132-S136 PolarHBondContact O-N 2.99Å |
| 133 | S | 72.8 | Confident | 73.5 | Confident | 72 Ų | 72 | 107.6 Ų | 107.6 | 50% | 0.503 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -57.5 | -28.8 | 180 | -167.9 | 0 | 0 | 0 | 0 | 110.6 | M131 K137 | M131-S133 PolarHBondContact O-N 3.49Å; S133-K137 VanDerWaalsContact O-CB 3.31Å; S133-K137 WeakPolarHBondContact O-CB 3.34Å; S133-K137 WeakPolarHBondContact O-CG 3.25Å; S133-K137 PolarHBondContact O-N 3.4Å |
| 134 | S | 81.7 | Confident | 74.4 | Confident | 73 Ų | 73 | 112 Ų | 112 | 51% | 0.51 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.1 | -46.8 | 176.1 | 82 | 0 | 0 | 0 | 0 | 111.5 | D132 S136 K137 Q138 | D132-S134 PolarHBondContact O-N 3.26Å; D132-S134 VanDerWaalsContact O-N 3.16Å; D132-S134 WeakPolarHBondContact OD1-CA 3.18Å; D132-S134 WeakPolarHBondContact OD1-CB 3.48Å; D132-S134 PolarHBondContact OD1-N 2.63Å; D132-S134 PolarHBondContact OD1-OG 2.99Å; D132-S134 PolarHBondContact OD2-OG 3.4Å; S134-S136 VanDerWaalsContact C-N 3.35Å; S134-S136 PolarHBondContact O-N 3.32Å; S134-K137 PolarHBondContact O-N 3.16Å; S134-Q138 WeakPolarHBondContact O-CB 3.5Å; S134-Q138 PolarHBondContact O-N 3.45Å |
| 135 | R | 81.5 | Confident | 74.9 | Confident | 163 Ų | 163 | 112.7 Ų | 112.7 | 62% | 0.615 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.2 | -39.7 | 175.6 | -171 | 175.5 | -176.8 | -85.3 | -0.8 | 112.1 | D132 Q138 L139 | D132-R135 HydrophobicContact CB-CB 4Å; D132-R135 PolarHBondContact O-N 3.41Å; D132-R135 VanDerWaalsContact O-N 3.08Å; R135-Q138 PolarHBondContact O-N 2.96Å; R135-L139 HydrophobicContact CG-CD1 4.46Å; R135-L139 WeakPolarHBondContact O-CG 3.48Å; R135-L139 PolarHBondContact O-N 2.92Å |
| 136 | S | 86.4 | Confident | 75.6 | Confident | 59 Ų | 59 | 115.1 Ų | 115.1 | 41% | 0.413 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.2 | -45.9 | 175.8 | -178.4 | 0 | 0 | 0 | 0 | 111.9 | D132 S134 Q138 L139 L140 | D132-S136 PolarHBondContact O-N 2.99Å; S134-S136 VanDerWaalsContact C-N 3.35Å; S134-S136 PolarHBondContact O-N 3.32Å; S136-Q138 VanDerWaalsContact C-N 3.33Å; S136-Q138 PolarHBondContact O-N 3.43Å; S136-L139 PolarHBondContact O-N 3.35Å; S136-L140 WeakPolarHBondContact O-CB 3.38Å; S136-L140 PolarHBondContact O-N 3.06Å |
| 137 | K | 90.3 | Very high | 76.1 | Confident | 147 Ų | 147 | 112.8 Ų | 112.8 | 64% | 0.639 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.8 | -39.3 | 175.6 | -75.7 | 173.8 | -178.1 | -173.9 | 0 | 112.1 | S133 S134 L140 S141 | S133-K137 VanDerWaalsContact O-CB 3.31Å; S133-K137 WeakPolarHBondContact O-CB 3.34Å; S133-K137 WeakPolarHBondContact O-CG 3.25Å; S133-K137 PolarHBondContact O-N 3.4Å; S134-K137 PolarHBondContact O-N 3.16Å; K137-L140 PolarHBondContact O-N 3.05Å; K137-S141 WeakPolarHBondContact O-CB 3.26Å; K137-S141 PolarHBondContact O-N 3.33Å |
| 138 | Q | 90.8 | Very high | 76.6 | Confident | 129 Ų | 129 | 110 Ų | 110 | 60% | 0.603 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.6 | -46.7 | 176.1 | -176.6 | -179.8 | -12.1 | 0 | 0 | 111.7 | S134 R135 S136 L140 S141 Q142 | S134-Q138 WeakPolarHBondContact O-CB 3.5Å; S134-Q138 PolarHBondContact O-N 3.45Å; R135-Q138 PolarHBondContact O-N 2.96Å; S136-Q138 VanDerWaalsContact C-N 3.33Å; S136-Q138 PolarHBondContact O-N 3.43Å; Q138-L140 VanDerWaalsContact C-N 3.32Å; Q138-L140 PolarHBondContact O-N 2.97Å; Q138-S141 WeakPolarHBondContact O-CB 3.23Å; Q138-S141 PolarHBondContact O-N 2.95Å; Q138-Q142 WeakPolarHBondContact O-CG 3.45Å; Q138-Q142 PolarHBondContact O-N 2.94Å |
| 139 | L | 91.3 | Very high | 76.9 | Confident | 95 Ų | 95 | 107 Ų | 107 | 50% | 0.497 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.8 | -40.1 | 176.8 | -73.6 | 170 | 0 | 0 | 0 | 111.8 | R135 S136 S141 Q142 W143 | R135-L139 HydrophobicContact CG-CD1 4.46Å; R135-L139 WeakPolarHBondContact O-CG 3.48Å; R135-L139 PolarHBondContact O-N 2.92Å; S136-L139 PolarHBondContact O-N 3.35Å; L139-S141 VanDerWaalsContact C-N 3.34Å; L139-Q142 PolarHBondContact O-N 3.32Å; L139-W143 WeakPolarHBondContact O-CB 3.41Å; L139-W143 PolarHBondContact O-N 2.89Å |
| 140 | L | 88.7 | Confident | 77.1 | Confident | 94 Ų | 94 | 109.8 Ų | 109.8 | 49% | 0.492 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.8 | -37.1 | 176.7 | -170.8 | 63.2 | 0 | 0 | 0 | 111.8 | S136 K137 Q138 W143 K144 | S136-L140 WeakPolarHBondContact O-CB 3.38Å; S136-L140 PolarHBondContact O-N 3.06Å; K137-L140 PolarHBondContact O-N 3.05Å; Q138-L140 VanDerWaalsContact C-N 3.32Å; Q138-L140 PolarHBondContact O-N 2.97Å; L140-W143 HydrophobicContact CD1-CE3 4.05Å; L140-W143 PolarHBondContact O-N 3.39Å; L140-K144 HydrophobicContact CG-CD 4.4Å; L140-K144 WeakPolarHBondContact O-CB 3.48Å; L140-K144 VanDerWaalsContact O-CG 3.32Å; L140-K144 WeakPolarHBondContact O-CG 3.45Å; L140-K144 PolarHBondContact O-N 3.01Å |
| 141 | S | 85.1 | Confident | 77.2 | Confident | 76 Ų | 76 | 111.9 Ų | 111.9 | 53% | 0.531 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.3 | -46 | 173.2 | -175 | 0 | 0 | 0 | 0 | 111.6 | K137 Q138 L139 W143 K144 S145 | K137-S141 WeakPolarHBondContact O-CB 3.26Å; K137-S141 PolarHBondContact O-N 3.33Å; Q138-S141 WeakPolarHBondContact O-CB 3.23Å; Q138-S141 PolarHBondContact O-N 2.95Å; L139-S141 VanDerWaalsContact C-N 3.34Å; S141-W143 PolarHBondContact O-N 2.91Å; S141-K144 PolarHBondContact O-N 3.47Å; S141-S145 VanDerWaalsContact O-CB 3.27Å; S141-S145 WeakPolarHBondContact O-CB 3.21Å; S141-S145 PolarHBondContact O-N 3Å |
| 142 | Q | 89.4 | Confident | 76.3 | Confident | 125 Ų | 125 | 108.8 Ų | 108.8 | 58% | 0.584 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.1 | -45.1 | 175.4 | -72.1 | -68.9 | -36.8 | 0 | 0 | 111.8 | Q138 L139 S145 K146 | Q138-Q142 WeakPolarHBondContact O-CG 3.45Å; Q138-Q142 PolarHBondContact O-N 2.94Å; L139-Q142 PolarHBondContact O-N 3.32Å; Q142-S145 PolarHBondContact O-N 3.27Å; Q142-K146 WeakPolarHBondContact O-CB 3.49Å; Q142-K146 PolarHBondContact O-N 3.46Å |
| 143 | W | 85.1 | Confident | 75.1 | Confident | 169 Ų | 169 | 109.9 Ų | 109.9 | 64% | 0.64 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66 | -43.8 | 178.8 | -179.2 | 78.7 | 0 | 0 | 0 | 112.6 | L139 L140 S141 K146 N147 | L139-W143 WeakPolarHBondContact O-CB 3.41Å; L139-W143 PolarHBondContact O-N 2.89Å; L140-W143 HydrophobicContact CD1-CE3 4.05Å; L140-W143 PolarHBondContact O-N 3.39Å; S141-W143 PolarHBondContact O-N 2.91Å; W143-K146 PolarHBondContact O-N 3.36Å; W143-N147 WeakPolarHBondContact O-CB 3.37Å; W143-N147 PolarHBondContact O-N 3.32Å |
| 144 | K | 82.7 | Confident | 74.1 | Confident | 135 Ų | 135 | 113.5 Ų | 113.5 | 59% | 0.587 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.7 | -40.5 | 175.7 | -75.3 | -177.5 | 67.8 | -178.6 | 0 | 112.1 | L140 S141 N147 N148 | L140-K144 HydrophobicContact CG-CD 4.4Å; L140-K144 WeakPolarHBondContact O-CB 3.48Å; L140-K144 VanDerWaalsContact O-CG 3.32Å; L140-K144 WeakPolarHBondContact O-CG 3.45Å; L140-K144 PolarHBondContact O-N 3.01Å; S141-K144 PolarHBondContact O-N 3.47Å; K144-N147 PolarHBondContact O-N 2.99Å; K144-N148 PolarHBondContact O-N 3.14Å |
| 145 | S | 73.4 | Confident | 72.5 | Confident | 66 Ų | 66 | 118.4 Ų | 118.4 | 46% | 0.462 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64 | -46.8 | 176.6 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | S141 Q142 N147 N148 N149 | S141-S145 VanDerWaalsContact O-CB 3.27Å; S141-S145 WeakPolarHBondContact O-CB 3.21Å; S141-S145 PolarHBondContact O-N 3Å; Q142-S145 PolarHBondContact O-N 3.27Å; S145-N147 VanDerWaalsContact C-N 3.28Å; S145-N147 PolarHBondContact O-N 3.39Å; S145-N148 PolarHBondContact O-N 3.48Å; S145-N149 PolarHBondContact O-N 3Å; S145-N149 PolarHBondContact O-ND2 3.5Å |
| 146 | K | 75.3 | Confident | 70.5 | Confident | 149 Ų | 149 | 115.3 Ų | 115.3 | 65% | 0.648 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -55.1 | -44.9 | 175.2 | -166.6 | 98 | 172.6 | -176.8 | 0 | 111.2 | Q142 W143 N149 H150 | Q142-K146 WeakPolarHBondContact O-CB 3.49Å; Q142-K146 PolarHBondContact O-N 3.46Å; W143-K146 PolarHBondContact O-N 3.36Å; K146-N149 PolarHBondContact O-N 3.02Å; K146-H150 PolarHBondContact O-CD2 3.27Å; K146-H150 VanDerWaalsContact O-CD2 3.25Å; K146-H150 PolarHBondContact O-NE2 3.12Å |
| 147 | N | 69.4 | Low | 68.7 | Low | 81 Ų | 81 | 118.1 Ų | 118.1 | 43% | 0.433 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -70.1 | -33.4 | -179.9 | -165.9 | 14.6 | 0 | 0 | 0 | 113.7 | W143 K144 S145 N149 H150 | W143-N147 WeakPolarHBondContact O-CB 3.37Å; W143-N147 PolarHBondContact O-N 3.32Å; K144-N147 PolarHBondContact O-N 2.99Å; S145-N147 VanDerWaalsContact C-N 3.28Å; S145-N147 PolarHBondContact O-N 3.39Å; N147-N149 VanDerWaalsContact C-N 3.32Å; N147-N149 PolarHBondContact O-N 3.44Å; N147-H150 PolarHBondContact O-N 3.44Å |
| 148 | N | 66.9 | Low | 66.2 | Low | 99 Ų | 99 | 118.1 Ų | 118.1 | 53% | 0.529 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -71.7 | -27.2 | -179.8 | -136.4 | 29.4 | 0 | 0 | 0 | 112.8 | K144 S145 H150 K151 C152 | K144-N148 PolarHBondContact O-N 3.14Å; S145-N148 PolarHBondContact O-N 3.48Å; N148-H150 PolarHBondContact O-N 3.25Å; N148-K151 PolarHBondContact O-N 3.43Å; N148-K151 VanDerWaalsContact O-N 3.13Å; N148-C152 PolarHBondContact O-N 2.9Å |
| 149 | N | 57.8 | Low | 64.4 | Low | 103 Ų | 103 | 116.1 Ų | 116.1 | 55% | 0.551 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62.8 | -30.5 | 176 | -79.3 | -76.3 | 0 | 0 | 0 | 112.7 | S145 K146 N147 K151 S153 | S145-N149 PolarHBondContact O-N 3Å; S145-N149 PolarHBondContact O-ND2 3.5Å; K146-N149 PolarHBondContact O-N 3.02Å; N147-N149 VanDerWaalsContact C-N 3.32Å; N147-N149 PolarHBondContact O-N 3.44Å; N149-K151 VanDerWaalsContact C-N 3.27Å; N149-K151 PolarHBondContact O-N 3.05Å; N149-S153 PolarHBondContact O-N 3.1Å |
| 150 | H | 57.1 | Low | 62.1 | Low | 124 Ų | 124 | 120.8 Ų | 120.8 | 57% | 0.574 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -74 | -18.9 | 177.7 | -51.2 | -52.6 | 0 | 0 | 0 | 113.1 | K146 N147 N148 | K146-H150 PolarHBondContact O-CD2 3.27Å; K146-H150 VanDerWaalsContact O-CD2 3.25Å; K146-H150 PolarHBondContact O-NE2 3.12Å; N147-H150 PolarHBondContact O-N 3.44Å; N148-H150 PolarHBondContact O-N 3.25Å |
| 151 | K | 54.3 | Low | 59.5 | Low | 148 Ų | 148 | 122.6 Ų | 122.6 | 64% | 0.643 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -89.9 | -24.8 | 179.3 | -61.5 | -178.7 | 71.2 | -175.2 | 0 | 113 | N148 N149 | N148-K151 PolarHBondContact O-N 3.43Å; N148-K151 VanDerWaalsContact O-N 3.13Å; N149-K151 VanDerWaalsContact C-N 3.27Å; N149-K151 PolarHBondContact O-N 3.05Å |
| 152 | C | 49.3 | Very low | 57.2 | Low | 97 Ų | 97 | 124.2 Ų | 124.2 | 66% | 0.655 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -84.7 | -16.3 | 174.7 | -65.6 | 0 | 0 | 0 | 0 | 113.2 | N148 I154 | N148-C152 PolarHBondContact O-N 2.9Å; C152-I154 VanDerWaalsContact C-N 3.29Å; C152-I154 PolarHBondContact O-N 3.06Å |
| 153 | S | 48.7 | Very low | 54.7 | Low | 104 Ų | 104 | 123.6 Ų | 123.6 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -2.8 | 179.6 | -167.3 | 0 | 0 | 0 | 0 | 114.4 | N149 | N149-S153 PolarHBondContact O-N 3.1Š|
| 154 | I | 50.3 | Low | 52.6 | Low | 148 Ų | 148 | 121.5 Ų | 121.5 | 76% | 0.759 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 2.1 | -176.9 | -128.3 | 168 | 0 | 0 | 0 | 114.1 | C152 S156 | C152-I154 VanDerWaalsContact C-N 3.29Å; C152-I154 PolarHBondContact O-N 3.06Å; I154-S156 PolarHBondContact O-N 3.39Å |
| 155 | M | 49.2 | Very low | 50.3 | Low | 175 Ų | 175 | 122.2 Ų | 122.2 | 86% | 0.862 | 69% | 0.692 | S | S | * | * | | | trans | -76 | 83.8 | 163.1 | -95.9 | 149.3 | 66.4 | 0 | 0 | 108.4 | | |
| 156 | S | 39.9 | Very low | 48.4 | Very low | 98 Ų | 98 | 124.2 Ų | 124.2 | 69% | 0.685 | 71% | 0.706 | S | S | * | * | | | trans | -54.2 | 131.3 | 167.6 | -173.1 | 0 | 0 | 0 | 0 | 109.5 | I154 D158 | I154-S156 PolarHBondContact O-N 3.39Å; S156-D158 PolarHBondContact O-N 3.31Å |
| 157 | P | 48.5 | Very low | 46.8 | Very low | 118 Ų | 118 | 122.6 Ų | 122.6 | 77% | 0.766 | 71% | 0.714 | S | S | * | * | | | trans | -74.1 | 107.3 | 166.1 | 29.6 | -26.4 | 0 | 0 | 0 | 106.9 | P159 | P157-P159 WeakPolarHBondContact O-CD 3.35Š|
| 158 | D | 36.8 | Very low | 45.2 | Very low | 147 Ų | 147 | 123.9 Ų | 123.9 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | | | trans | -87.5 | 115.4 | 171.3 | -157.3 | 8.9 | 0 | 0 | 0 | 108.5 | S156 | S156-D158 PolarHBondContact O-N 3.31Š|
| 159 | P | 54.2 | Low | 43.8 | Very low | 87 Ų | 87 | 123.1 Ų | 123.1 | 57% | 0.565 | 75% | 0.745 | S | S | * | * | | | trans | -86.1 | 140.6 | 169.5 | 33.3 | -26.2 | 0 | 0 | 0 | 109.2 | P157 | P157-P159 WeakPolarHBondContact O-CD 3.35Š|
| 160 | F | 41.8 | Very low | 42.8 | Very low | 194 Ų | 194 | 126.7 Ų | 126.7 | 85% | 0.851 | 76% | 0.757 | S | S | * | * | | | trans | 84.7 | 90.8 | 177 | -50.8 | -78.3 | 0 | 0 | 0 | 116.8 | | |
| 161 | S | 35.4 | Very low | 42 | Very low | 132 Ų | 132 | 126.7 Ų | 126.7 | 92% | 0.923 | 76% | 0.761 | S | S | * | * | | | | -156 | 114.7 | 126.8 | -85.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 162 | S | 35.2 | Very low | 41.4 | Very low | 110 Ų | 110 | 125.5 Ų | 125.5 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | trans | -81.5 | 154 | 174.4 | 51 | 0 | 0 | 0 | 0 | 112.1 | | |
| 163 | S | 38.1 | Very low | 40.9 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | trans | 72.6 | 137.9 | 153.8 | -119.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 164 | V | 39.4 | Very low | 40.5 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | | | cis | -156.2 | 154.7 | 21.4 | -82.2 | 0 | 0 | 0 | 0 | 108.4 | | |
| 165 | D | 34.8 | Very low | 40.2 | Very low | 149 Ų | 149 | 129.2 Ų | 129.2 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | | | trans | 17.5 | 119.1 | 146.1 | -164.3 | 22.3 | 0 | 0 | 0 | 119.8 | | |
| 166 | S | 34 | Very low | 39.7 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | | 175.8 | 144 | 126.3 | -82.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 167 | S | 41.4 | Very low | 40.2 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | -55.7 | 159.7 | -177 | 68.3 | 0 | 0 | 0 | 0 | 116.6 | | |
| 168 | S | 35.4 | Very low | 40 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | trans | 114.7 | 99.7 | 156.8 | -162.4 | 0 | 0 | 0 | 0 | 112.9 | H170 | S168-H170 PolarHBondContact O-N 2.96Å; S168-H170 VanDerWaalsContact O-N 3.15Å |
| 169 | G | 38.8 | Very low | 40.4 | Very low | 84 Ų | 84 | 131.3 Ų | 131.3 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | | | trans | -65.5 | 109.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 170 | H | 36 | Very low | 39.6 | Very low | 177 Ų | 177 | 138.9 Ų | 138.9 | 82% | 0.819 | 80% | 0.796 | S | S | * | * | | | trans | -120.5 | 112.2 | 166 | -146.3 | -80.8 | 0 | 0 | 0 | 109 | S168 | S168-H170 PolarHBondContact O-N 2.96Å; S168-H170 VanDerWaalsContact O-N 3.15Å |
| 171 | I | 40.3 | Very low | 39.5 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 64% | 0.641 | 80% | 0.795 | S | S | * | * | | | trans | -67 | 136.8 | 174.1 | -63.2 | -171.8 | 0 | 0 | 0 | 109.2 | | |
| 172 | P | 42 | Very low | 39.7 | Very low | 123 Ų | 123 | 134 Ų | 134 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | | | trans | -90.7 | 105 | 153.7 | 19 | -2.8 | 0 | 0 | 0 | 108.9 | H174 | P172-H174 PolarHBondContact O-N 3.39Š|
| 173 | H | 39.6 | Very low | 39.9 | Very low | 180 Ų | 180 | 134.6 Ų | 134.6 | 83% | 0.833 | 79% | 0.791 | S | S | * | * | | | trans | -56.8 | 100 | 167.1 | -97.4 | -96.3 | 0 | 0 | 0 | 109.6 | | |
| 174 | H | 40.3 | Very low | 39.8 | Very low | 176 Ų | 176 | 138.3 Ų | 138.3 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | | | trans | -89 | 113 | 160.9 | -179.1 | -91.1 | 0 | 0 | 0 | 107.9 | P172 S176 | P172-H174 PolarHBondContact O-N 3.39Å; H174-S176 PolarHBondContact O-N 3.37Å; H174-S176 VanDerWaalsContact O-N 3.09Å |
| 175 | G | 43.7 | Very low | 39.9 | Very low | 70 Ų | 70 | 137.8 Ų | 137.8 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | | | trans | -55.4 | 111.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 176 | S | 37.7 | Very low | 40 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | | | trans | -115.7 | 111.6 | 157 | -170.1 | 0 | 0 | 0 | 0 | 106.5 | H174 E178 | H174-S176 PolarHBondContact O-N 3.37Å; H174-S176 VanDerWaalsContact O-N 3.09Å; S176-E178 VanDerWaalsContact C-N 3.33Å; S176-E178 PolarHBondContact O-N 3.09Å |
| 177 | I | 51.4 | Low | 40.4 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 82% | 0.821 | 79% | 0.794 | S | S | * | * | | | trans | -68.6 | 92 | 171.2 | 46.6 | 146.8 | 0 | 0 | 0 | 108.6 | L179 | I177-L179 PolarHBondContact O-N 3.29Š|
| 178 | E | 42.8 | Very low | 40.5 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | -68.2 | 113.6 | 169.5 | -72.8 | 176.4 | 166 | 0 | 0 | 109.1 | S176 R180 | S176-E178 VanDerWaalsContact C-N 3.33Å; S176-E178 PolarHBondContact O-N 3.09Å; E178-R180 PolarHBondContact O-N 3.42Å |
| 179 | L | 45.1 | Very low | 40.7 | Very low | 158 Ų | 158 | 135.3 Ų | 135.3 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | | | trans | -62.2 | 97.9 | 165.8 | -68.6 | 169.2 | 0 | 0 | 0 | 108.1 | I177 S181 | I177-L179 PolarHBondContact O-N 3.29Å; L179-S181 PolarHBondContact O-N 2.75Å |
| 180 | R | 38.8 | Very low | 41 | Very low | 245 Ų | 245 | 138.6 Ų | 138.6 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | | | trans | -62.9 | 101.2 | 164.3 | -70.9 | -172.3 | 172.7 | 171.3 | -1.7 | 108.3 | E178 | E178-R180 PolarHBondContact O-N 3.42Š|
| 181 | S | 39.8 | Very low | 41.1 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -95.1 | 95.7 | 162.7 | -68.6 | 0 | 0 | 0 | 0 | 107.9 | L179 | L179-S181 PolarHBondContact O-N 2.75Š|
| 182 | S | 38.3 | Very low | 41 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | | | trans | -67.3 | 131.8 | 165.1 | 48.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 183 | S | 39.3 | Very low | 40.8 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | trans | -173.7 | 101.8 | 142 | -79.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 184 | E | 37.7 | Very low | 40.8 | Very low | 190 Ų | 190 | 132.7 Ų | 132.7 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | | | trans | -115.9 | 120.3 | 162.5 | -173 | 173.2 | 127.7 | 0 | 0 | 106.9 | | |
| 185 | P | 40.8 | Very low | 40.7 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | | | trans | -101.9 | 109 | 162.8 | 31.8 | -24.2 | 0 | 0 | 0 | 110.6 | | |
| 186 | S | 37.2 | Very low | 40.5 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | | | trans | 4.4 | 122.5 | 144.2 | -175.8 | 0 | 0 | 0 | 0 | 117.8 | | |
| 187 | T | 41.7 | Very low | 40.7 | Very low | 137 Ų | 137 | 133.6 Ų | 133.6 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | | | trans | -130.8 | 102.5 | 141.1 | 72.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 188 | V | 43.6 | Very low | 40.2 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 70% | 0.703 | 80% | 0.801 | S | S | * | * | | | trans | 20.5 | 107 | 145 | 171.4 | 0 | 0 | 0 | 0 | 115.9 | I190 | V188-I190 HydrophobicContact CG1-CG2 4.17Å; V188-I190 PolarHBondContact O-N 2.81Å |
| 189 | G | 39 | Very low | 40 | Very low | 74 Ų | 74 | 134 Ų | 134 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | | | trans | -65.8 | 123.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 190 | I | 46.8 | Very low | 39.8 | Very low | 154 Ų | 154 | 135 Ų | 135 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | | | trans | -116.2 | 128.1 | 155.9 | 52.7 | 166.6 | 0 | 0 | 0 | 108.3 | V188 | V188-I190 HydrophobicContact CG1-CG2 4.17Å; V188-I190 PolarHBondContact O-N 2.81Å |
| 191 | N | 38.3 | Very low | 39.7 | Very low | 173 Ų | 173 | 128 Ų | 128 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | | | trans | -65.4 | 143 | -177 | -57.5 | -67.9 | 0 | 0 | 0 | 111.7 | | |
| 192 | G | 36.8 | Very low | 39.6 | Very low | 76 Ų | 76 | 132.6 Ų | 132.6 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | | | trans | 175 | 77.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 193 | G | 37.3 | Very low | 39.8 | Very low | 71 Ų | 71 | 135.3 Ų | 135.3 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | | | trans | -67.4 | 151.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 194 | L | 39.9 | Very low | 39.7 | Very low | 161 Ų | 161 | 135.6 Ų | 135.6 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | | | trans | -176.2 | 145.5 | 143.8 | -90.9 | 157.1 | 0 | 0 | 0 | 107.9 | | |
| 195 | D | 39.2 | Very low | 39.7 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | | | trans | 46 | 99.3 | 164.8 | 55.8 | 27 | 0 | 0 | 0 | 123.4 | | |
| 196 | A | 38.8 | Very low | 39.4 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | | | trans | -73.9 | 145.7 | 143.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 197 | S | 41.3 | Very low | 39.3 | Very low | 112 Ų | 112 | 131 Ų | 131 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | | | trans | 80.7 | 99.4 | 164.3 | -173 | 0 | 0 | 0 | 0 | 117.3 | | |
| 198 | T | 42.4 | Very low | 39.4 | Very low | 122 Ų | 122 | 130.2 Ų | 130.2 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | | | | 179.6 | 93.2 | 125.8 | -69 | 0 | 0 | 0 | 0 | 108.9 | | |
| 199 | Y | 37.9 | Very low | 39.3 | Very low | 214 Ų | 214 | 130.3 Ų | 130.3 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | | | trans | 170.4 | 68.3 | 139.7 | -111.1 | -90.9 | 0 | 0 | 0 | 110.4 | | |
| 200 | M | 40.4 | Very low | 39.4 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | | | trans | -81.7 | 125.8 | 151.8 | -83.1 | -77.3 | -79.7 | 0 | 0 | 107.3 | | |
| 201 | S | 37.3 | Very low | 39 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | | | trans | 134.7 | 98.9 | 150.2 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 202 | K | 38.4 | Very low | 39.3 | Very low | 213 Ų | 213 | 130.9 Ų | 130.9 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | | | | -160.7 | 98.1 | 120.4 | -69.1 | -147.7 | 179.8 | 178.3 | 0 | 109.2 | | |
| 203 | L | 42 | Very low | 39.5 | Very low | 163 Ų | 163 | 132.9 Ų | 132.9 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | | | trans | -86.6 | 150.9 | 152.5 | -71.9 | 165.4 | 0 | 0 | 0 | 107.9 | | |
| 204 | P | 37.3 | Very low | 39.6 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | | | | -124.6 | 133.4 | 122.3 | 0.8 | 19.8 | 0 | 0 | 0 | 112.6 | | |
| 205 | T | 38.4 | Very low | 39.6 | Very low | 143 Ų | 143 | 135 Ų | 135 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | | | trans | -53.4 | 130.4 | 167.6 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 206 | G | 34.1 | Very low | 39.7 | Very low | 71 Ų | 71 | 133 Ų | 133 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | | | trans | -162.3 | 97.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 207 | A | 35.3 | Very low | 40.1 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | | | trans | 38.5 | 106.8 | 154.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | T209 | A207-T209 PolarHBondContact O-N 3.15Š|
| 208 | S | 42.3 | Very low | 40.6 | Very low | 119 Ų | 119 | 134 Ų | 134 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | | | trans | -21.5 | 121.4 | 142.6 | -177.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 209 | T | 42.9 | Very low | 40.8 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 73% | 0.73 | 82% | 0.818 | S | S | * | * | | | | -169.2 | 145.4 | 123.4 | 53.3 | 0 | 0 | 0 | 0 | 109.5 | A207 | A207-T209 PolarHBondContact O-N 3.15Š|
| 210 | T | 41.1 | Very low | 41.4 | Very low | 126 Ų | 126 | 128.9 Ų | 128.9 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | | | trans | 83.6 | 89.6 | 163.3 | 77.4 | 0 | 0 | 0 | 0 | 118.8 | | |
| 211 | L | 38.3 | Very low | 41.7 | Very low | 170 Ų | 170 | 123 Ų | 123 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | | | trans | -125.7 | 117.9 | 140.9 | -75.1 | 176.4 | 0 | 0 | 0 | 108.3 | S213 | L211-S213 PolarHBondContact O-N 3.46Š|
| 212 | P | 43.9 | Very low | 42.5 | Very low | 117 Ų | 117 | 123.4 Ų | 123.4 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | | | trans | -78 | 106.6 | 167.6 | 29.9 | -27.8 | 0 | 0 | 0 | 108.5 | N214 | P212-N214 VanDerWaalsContact C-N 3.34Å; P212-N214 PolarHBondContact O-N 3.23Å; P212-N214 VanDerWaalsContact O-N 3.11Å |
| 213 | S | 41.7 | Very low | 43.7 | Very low | 117 Ų | 117 | 124 Ų | 124 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -75.3 | 91.9 | 161.3 | -171.7 | 0 | 0 | 0 | 0 | 108 | L211 | L211-S213 PolarHBondContact O-N 3.46Š|
| 214 | N | 39.3 | Very low | 43.7 | Very low | 144 Ų | 144 | 122.8 Ų | 122.8 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | | | trans | -152.1 | 100.8 | 160 | -97 | -63.5 | 0 | 0 | 0 | 109 | P212 S216 | P212-N214 VanDerWaalsContact C-N 3.34Å; P212-N214 PolarHBondContact O-N 3.23Å; P212-N214 VanDerWaalsContact O-N 3.11Å; N214-S216 PolarHBondContact O-N 3.21Å; N214-S216 VanDerWaalsContact O-N 3.1Å |
| 215 | C | 39 | Very low | 44.3 | Very low | 133 Ų | 133 | 122.3 Ų | 122.3 | 90% | 0.899 | 80% | 0.801 | S | S | * | * | | | trans | -70.3 | 98.6 | 162.8 | -67.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 216 | S | 41.5 | Very low | 44.6 | Very low | 106 Ų | 106 | 123.1 Ų | 123.1 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | | | trans | -142 | 82.6 | 156.9 | -78.1 | 0 | 0 | 0 | 0 | 107.4 | N214 I218 | N214-S216 PolarHBondContact O-N 3.21Å; N214-S216 VanDerWaalsContact O-N 3.1Å; S216-I218 PolarHBondContact O-N 3.01Å; S216-I218 VanDerWaalsContact O-N 3.09Å |
| 217 | G | 48.3 | Very low | 45.3 | Very low | 82 Ų | 82 | 128.1 Ų | 128.1 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | | | trans | -71 | 95 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 218 | I | 50.6 | Low | 46 | Very low | 153 Ų | 153 | 129 Ų | 129 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | -127.9 | 106.3 | 146 | 49.4 | 165.8 | 0 | 0 | 0 | 107.9 | S216 | S216-I218 PolarHBondContact O-N 3.01Å; S216-I218 VanDerWaalsContact O-N 3.09Å |
| 219 | T | 46.4 | Very low | 46.4 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 91% | 0.908 | 80% | 0.802 | S | S | * | * | | | trans | -63.7 | 133.4 | 167.6 | -77.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 220 | G | 51.3 | Low | 46.5 | Very low | 79 Ų | 79 | 133.8 Ų | 133.8 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | | | trans | 90.1 | 89.8 | 156.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 221 | G | 47.1 | Very low | 46.9 | Very low | 56 Ų | 56 | 131 Ų | 131 | 58% | 0.577 | 80% | 0.8 | S | S | * | * | | | trans | 176.7 | 114 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | R223 | G221-R223 PolarHBondContact O-N 3.38Š|
| 222 | A | 53.6 | Low | 47.1 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | | | trans | -58.5 | 107.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | I224 | A222-I224 PolarHBondContact O-N 2.96Š|
| 223 | R | 62.5 | Low | 47.2 | Very low | 225 Ų | 225 | 128.1 Ų | 128.1 | 85% | 0.849 | 80% | 0.797 | S | S | * | * | | | trans | -85.9 | 106.9 | 176.2 | 35.1 | -178.5 | 168.5 | -96 | 1.5 | 108.3 | G221 | G221-R223 PolarHBondContact O-N 3.38Š|
| 224 | I | 43.3 | Very low | 47.4 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | | | trans | -70.7 | 126.4 | 167.8 | 56.2 | 168.8 | 0 | 0 | 0 | 108.7 | A222 M226 | A222-I224 PolarHBondContact O-N 2.96Å; I224-M226 HydrophobicContact CD1-SD 4.4Å; I224-M226 PolarHBondContact O-N 2.92Å |
| 225 | S | 50 | Low | 47.8 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | -71 | 108.8 | 167.6 | -171.5 | 0 | 0 | 0 | 0 | 107.3 | Q227 | S225-Q227 PolarHBondContact O-N 3.04Š|
| 226 | M | 43.2 | Very low | 47.9 | Very low | 160 Ų | 160 | 132.5 Ų | 132.5 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | | | trans | -68.2 | 101.6 | 175.5 | -73.2 | -86 | -70.2 | 0 | 0 | 108.1 | I224 S228 | I224-M226 HydrophobicContact CD1-SD 4.4Å; I224-M226 PolarHBondContact O-N 2.92Å; M226-S228 PolarHBondContact O-N 2.65Å |
| 227 | Q | 50 | Low | 48 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -62.3 | 118.6 | 173.2 | -173.5 | 171.3 | -14.3 | 0 | 0 | 108.9 | S225 R229 | S225-Q227 PolarHBondContact O-N 3.04Å; Q227-R229 PolarHBondContact O-N 2.89Å |
| 228 | S | 48.9 | Very low | 48 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -53.4 | 115.7 | 173.7 | -59.1 | 0 | 0 | 0 | 0 | 109.1 | M226 P230 | M226-S228 PolarHBondContact O-N 2.65Å; S228-P230 WeakPolarHBondContact O-CD 3.41Å |
| 229 | R | 50.7 | Low | 47.9 | Very low | 220 Ų | 220 | 134.2 Ų | 134.2 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | | | trans | -67.7 | 126.2 | -174.4 | -152.1 | 172.7 | -168.5 | -114.9 | 4.4 | 109.4 | Q227 G231 | Q227-R229 PolarHBondContact O-N 2.89Å; R229-G231 PolarHBondContact O-N 2.88Å |
| 230 | P | 45.6 | Very low | 48.4 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -63.1 | 125.2 | 166.2 | -20.1 | 33.1 | 0 | 0 | 0 | 109.3 | S228 | S228-P230 WeakPolarHBondContact O-CD 3.41Š|
| 231 | G | 50.6 | Low | 48.3 | Very low | 68 Ų | 68 | 139.6 Ų | 139.6 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | | | trans | 97.4 | 65.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | R229 S233 | R229-G231 PolarHBondContact O-N 2.88Å; G231-S233 PolarHBondContact O-N 3.16Å |
| 232 | S | 42.3 | Very low | 48 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | | | trans | -70.9 | 104.4 | 160.7 | 169.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 233 | S | 45.2 | Very low | 47.3 | Very low | 110 Ų | 110 | 142.5 Ų | 142.5 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | | | trans | -66.7 | 133.5 | 172.7 | -166.3 | 0 | 0 | 0 | 0 | 110 | G231 L235 | G231-S233 PolarHBondContact O-N 3.16Å; S233-L235 PolarHBondContact O-N 2.97Å |
| 234 | Q | 45.8 | Very low | 46.1 | Very low | 181 Ų | 181 | 138.1 Ų | 138.1 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | | | trans | -53.8 | 113.7 | -172.5 | -66.6 | 139.6 | -15.9 | 0 | 0 | 112.2 | | |
| 235 | L | 47.8 | Very low | 45.8 | Very low | 168 Ų | 168 | 137.1 Ų | 137.1 | 88% | 0.88 | 75% | 0.752 | S | S | * | * | | | trans | -65.7 | 126.5 | 146.4 | -70.9 | 170.6 | 0 | 0 | 0 | 105.9 | S233 H237 | S233-L235 PolarHBondContact O-N 2.97Å; L235-H237 PolarHBondContact O-N 3.08Å |
| 236 | V | 41.3 | Very low | 44.8 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | | | trans | -47.8 | 109 | 176.3 | 179.7 | 0 | 0 | 0 | 0 | 108.3 | I238 | V236-I238 PolarHBondContact O-N 3.36Š|
| 237 | H | 44.3 | Very low | 44.6 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | | | trans | -67 | 109.3 | 172.4 | -160.7 | 75.6 | 0 | 0 | 0 | 105.7 | L235 P239 | L235-H237 PolarHBondContact O-N 3.08Å; H237-P239 VanDerWaalsContact O-CD 3.31Å; H237-P239 WeakPolarHBondContact O-CD 3.34Å |
| 238 | I | 46.9 | Very low | 43.6 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | | | trans | -60.1 | 121.9 | 158.1 | -61.2 | 177.8 | 0 | 0 | 0 | 104 | V236 E240 | V236-I238 PolarHBondContact O-N 3.36Å; I238-E240 PolarHBondContact O-N 3.14Å |
| 239 | P | 48.6 | Very low | 42.9 | Very low | 79 Ų | 79 | 137.7 Ų | 137.7 | 51% | 0.513 | 74% | 0.744 | S | S | . | * | | | trans | -57.8 | 109 | 178 | -26.3 | 37.4 | 0 | 0 | 0 | 109.3 | H237 E241 | H237-P239 VanDerWaalsContact O-CD 3.31Å; H237-P239 WeakPolarHBondContact O-CD 3.34Å; P239-E241 HydrophobicContact CB-CG 3.36Å; P239-E241 VanDerWaalsContact CB-OE1 3.25Å; P239-E241 WeakPolarHBondContact CB-OE1 3.4Å; P239-E241 PolarHBondContact O-N 3.47Å |
| 240 | E | 57.6 | Low | 42.1 | Very low | 176 Ų | 176 | 131.5 Ų | 131.5 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | | | trans | -69.2 | 79.2 | 154.7 | -176.3 | 173.9 | 166 | 0 | 0 | 105.6 | I238 A242 | I238-E240 PolarHBondContact O-N 3.14Å; E240-A242 PolarHBondContact O-N 3.44Å |
| 241 | E | 49.9 | Very low | 41.3 | Very low | 164 Ų | 164 | 133.2 Ų | 133.2 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | | | trans | -83.1 | 100.2 | 174 | -52.6 | -163.8 | -164.7 | 0 | 0 | 108.1 | P239 | P239-E241 HydrophobicContact CB-CG 3.36Å; P239-E241 VanDerWaalsContact CB-OE1 3.25Å; P239-E241 WeakPolarHBondContact CB-OE1 3.4Å; P239-E241 PolarHBondContact O-N 3.47Å |
| 242 | A | 40.4 | Very low | 40.8 | Very low | 73 Ų | 73 | 140.2 Ų | 140.2 | 60% | 0.603 | 74% | 0.737 | S | S | * | * | | | trans | 44.3 | 91.4 | 152.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | E240 E244 | E240-A242 PolarHBondContact O-N 3.44Å; A242-E244 PolarHBondContact O-N 3.32Å |
| 243 | H | 38.8 | Very low | 40.3 | Very low | 152 Ų | 152 | 141.1 Ų | 141.1 | 70% | 0.704 | 74% | 0.738 | S | S | * | * | | | trans | -57.3 | 88.2 | 133.9 | 176.4 | 40.4 | 0 | 0 | 0 | 108.8 | N245 | H243-N245 PolarHBondContact CD2-ND2 3.32Å; H243-N245 PolarHBondContact CE1-OD1 2.92Å; H243-N245 PolarHBondContact NE2-ND2 2.94Å; H243-N245 PolarHBondContact NE2-OD1 2.99Å; H243-N245 PolarHBondContact O-N 3.05Å |
| 244 | E | 36.6 | Very low | 39.6 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 62% | 0.617 | 74% | 0.736 | S | S | * | * | | | trans | -81.3 | 105.7 | 158.8 | 52.4 | -169.6 | -161.2 | 0 | 0 | 108.5 | A242 Y246 | A242-E244 PolarHBondContact O-N 3.32Å; E244-Y246 HydrophobicContact CB-CD2 4.1Å; E244-Y246 HydrophobicContact CB-CE2 3.68Å; E244-Y246 HydrophobicContact CG-CD2 3.99Å; E244-Y246 HydrophobicContact CG-CE2 3.71Å; E244-Y246 PolarHBondContact O-N 3.25Å |
| 245 | N | 37.8 | Very low | 39.5 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 63% | 0.631 | 73% | 0.734 | S | S | * | * | | | trans | -56 | 101.7 | 163.9 | -85 | -77 | 0 | 0 | 0 | 109 | H243 | H243-N245 PolarHBondContact CD2-ND2 3.32Å; H243-N245 PolarHBondContact CE1-OD1 2.92Å; H243-N245 PolarHBondContact NE2-ND2 2.94Å; H243-N245 PolarHBondContact NE2-OD1 2.99Å; H243-N245 PolarHBondContact O-N 3.05Å |
| 246 | Y | 29.2 | Very low | 39.1 | Very low | 168 Ų | 168 | 132.1 Ų | 132.1 | 66% | 0.659 | 73% | 0.726 | S | S | * | * | | | trans | -117 | 100.3 | 152.8 | -64.1 | -70.4 | 0 | 0 | 0 | 108.2 | E244 T248 | E244-Y246 HydrophobicContact CB-CD2 4.1Å; E244-Y246 HydrophobicContact CB-CE2 3.68Å; E244-Y246 HydrophobicContact CG-CD2 3.99Å; E244-Y246 HydrophobicContact CG-CE2 3.71Å; E244-Y246 PolarHBondContact O-N 3.25Å; Y246-T248 PolarHBondContact O-N 2.94Å; Y246-T248 VanDerWaalsContact O-N 3.09Å |
| 247 | N | 38.6 | Very low | 39.3 | Very low | 159 Ų | 159 | 132.8 Ų | 132.8 | 85% | 0.85 | 73% | 0.725 | S | S | * | * | | | trans | -42.2 | 113.2 | 150.4 | -86.8 | -37.6 | 0 | 0 | 0 | 108.4 | | |
| 248 | T | 29.4 | Very low | 39.4 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | | | trans | -121.3 | 79.6 | 165.3 | 44.8 | 0 | 0 | 0 | 0 | 109.5 | Y246 | Y246-T248 PolarHBondContact O-N 2.94Å; Y246-T248 VanDerWaalsContact O-N 3.09Å |
| 249 | T | 34.3 | Very low | 39.6 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | | | trans | -47.5 | 134.2 | 134.8 | -24.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 250 | S | 32 | Very low | 39.7 | Very low | 89 Ų | 89 | 133.9 Ų | 133.9 | 62% | 0.622 | 74% | 0.741 | S | S | * | * | | | trans | 70.4 | 119 | 150.8 | -125 | 0 | 0 | 0 | 0 | 119.2 | | |
| 251 | Q | 30.8 | Very low | 39.3 | Very low | 155 Ų | 155 | 131.5 Ų | 131.5 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | | | trans | 84.6 | 114.2 | 133.9 | -73.2 | -178.3 | 72 | 0 | 0 | 120.5 | | |
| 252 | R | 38.8 | Very low | 39.4 | Very low | 215 Ų | 215 | 127.5 Ų | 127.5 | 81% | 0.811 | 72% | 0.724 | S | S | * | * | | | | 61.7 | 113.9 | 119 | -162.1 | -169.5 | -71.1 | -106.3 | 0.1 | 115.5 | | |
| 253 | T | 32.5 | Very low | 40 | Very low | 134 Ų | 134 | 129.2 Ų | 129.2 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | | | | 160.3 | 136.3 | 116.2 | -64.6 | 0 | 0 | 0 | 0 | 110 | | |
| 254 | G | 30.5 | Very low | 40.6 | Very low | 71 Ų | 71 | 126.8 Ų | 126.8 | 73% | 0.732 | 72% | 0.723 | S | S | * | * | | | trans | 91.9 | 105.6 | 138.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 255 | A | 42.7 | Very low | 41.5 | Very low | 99 Ų | 99 | 126.6 Ų | 126.6 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | | | trans | -33.3 | 139 | 160.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 256 | S | 39.5 | Very low | 42.3 | Very low | 101 Ų | 101 | 122.7 Ų | 122.7 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | | | | 170.8 | 129.7 | 104 | 40.9 | 0 | 0 | 0 | 0 | 111 | | |
| 257 | D | 46.5 | Very low | 43.3 | Very low | 151 Ų | 151 | 120.1 Ų | 120.1 | 81% | 0.807 | 70% | 0.704 | S | S | * | * | | | trans | 48.4 | 78.3 | 147.4 | -52.9 | -24.2 | 0 | 0 | 0 | 119.4 | | |
| 258 | I | 46.4 | Very low | 43.7 | Very low | 137 Ų | 137 | 122.1 Ų | 122.1 | 70% | 0.703 | 70% | 0.699 | S | S | * | * | | | trans | -134.5 | 82.1 | 148.5 | -52.7 | 178.4 | 0 | 0 | 0 | 108.2 | N261 | I258-N261 WeakPolarHBondContact CG2-OD1 3.49Š|
| 259 | T | 50.5 | Low | 45.1 | Very low | 131 Ų | 131 | 121 Ų | 121 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | | | trans | -112.3 | 64.5 | 172.7 | -40.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 260 | V | 51.8 | Low | 46.2 | Very low | 133 Ų | 133 | 124.2 Ų | 124.2 | 81% | 0.806 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -145.2 | 2.8 | 174.1 | -133.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 261 | N | 48.1 | Very low | 47.3 | Very low | 126 Ų | 126 | 123 Ų | 123 | 67% | 0.674 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -130.9 | 21.1 | -173.9 | 45.8 | -17.6 | 0 | 0 | 0 | 114.2 | I258 | I258-N261 WeakPolarHBondContact CG2-OD1 3.49Š|
| 262 | S | 51.2 | Low | 48.5 | Very low | 80 Ų | 80 | 119.2 Ų | 119.2 | 56% | 0.559 | 67% | 0.674 | S | S | * | * | | | trans | -125.4 | 39.8 | 179.8 | -164 | 0 | 0 | 0 | 0 | 113.4 | A266 | S262-A266 WeakPolarHBondContact O-CB 3.17Š|
| 263 | T | 53.5 | Low | 49.1 | Very low | 108 Ų | 108 | 115.4 Ų | 115.4 | 66% | 0.663 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -104.4 | -38.2 | 173 | 55.7 | 0 | 0 | 0 | 0 | 111.6 | N267 | T263-N267 WeakPolarHBondContact O-CB 3.27Å; T263-N267 PolarHBondContact O-N 3.41Å |
| 264 | V | 52.8 | Low | 49.9 | Very low | 101 Ų | 101 | 118.2 Ų | 118.2 | 61% | 0.612 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -74.3 | -48.3 | -178.5 | -176.2 | 0 | 0 | 0 | 0 | 111.2 | N267 W268 | V264-N267 PolarHBondContact O-N 3.46Å; V264-W268 PolarHBondContact O-N 2.92Å |
| 265 | Q | 54.2 | Low | 50.5 | Low | 129 Ų | 129 | 120.4 Ų | 120.4 | 60% | 0.603 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -65.8 | -40.2 | 177.8 | -166.7 | 177.9 | 20.2 | 0 | 0 | 111.9 | N267 W268 Q269 | Q265-N267 PolarHBondContact O-N 3.43Å; Q265-W268 PolarHBondContact O-N 2.9Å; Q265-Q269 PolarHBondContact O-N 3.46Å |
| 266 | A | 55.1 | Low | 50.3 | Low | 35 Ų | 35 | 118.4 Ų | 118.4 | 29% | 0.289 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -67.2 | -31.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S262 R270 | S262-A266 WeakPolarHBondContact O-CB 3.17Å; A266-R270 VanDerWaalsContact O-CB 3.23Å; A266-R270 WeakPolarHBondContact O-CB 3.31Å; A266-R270 VanDerWaalsContact O-CG 3.25Å; A266-R270 WeakPolarHBondContact O-CG 3.39Å; A266-R270 PolarHBondContact O-N 2.92Å |
| 267 | N | 51.1 | Low | 50.6 | Low | 115 Ų | 115 | 121.4 Ų | 121.4 | 62% | 0.615 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -72.4 | -40.7 | 178 | -163.6 | -8.9 | 0 | 0 | 0 | 111.7 | T263 V264 Q265 A271 | T263-N267 WeakPolarHBondContact O-CB 3.27Å; T263-N267 PolarHBondContact O-N 3.41Å; V264-N267 PolarHBondContact O-N 3.46Å; Q265-N267 PolarHBondContact O-N 3.43Å; N267-A271 WeakPolarHBondContact O-CB 3.36Å; N267-A271 PolarHBondContact O-N 2.93Å |
| 268 | W | 45.8 | Very low | 50.3 | Low | 200 Ų | 200 | 121.6 Ų | 121.6 | 76% | 0.758 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -68.6 | -37.1 | 174.4 | -70.5 | 110.7 | 0 | 0 | 0 | 112.9 | V264 Q265 A272 | V264-W268 PolarHBondContact O-N 2.92Å; Q265-W268 PolarHBondContact O-N 2.9Å; W268-A272 PolarHBondContact O-N 3.47Å |
| 269 | Q | 59.1 | Low | 50.2 | Low | 104 Ų | 104 | 124.7 Ų | 124.7 | 49% | 0.486 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -69.3 | -44.5 | 173.6 | -89.5 | 164 | -15.3 | 0 | 0 | 112.5 | Q265 A271 A272 E273 | Q265-Q269 PolarHBondContact O-N 3.46Å; Q269-A271 VanDerWaalsContact C-N 3.29Å; Q269-A271 PolarHBondContact O-N 3.45Å; Q269-A272 PolarHBondContact O-N 3.06Å; Q269-A272 VanDerWaalsContact O-N 3.12Å; Q269-E273 VanDerWaalsContact O-CG 3.26Å; Q269-E273 WeakPolarHBondContact O-CG 3.32Å; Q269-E273 PolarHBondContact O-N 3.43Å |
| 270 | R | 57.3 | Low | 49.6 | Very low | 194 Ų | 194 | 123.2 Ų | 123.2 | 73% | 0.732 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -62.7 | -32.4 | 174.7 | -79.6 | -117.1 | -168.7 | 168.7 | 3.3 | 113.6 | A266 A272 E273 K274 | A266-R270 VanDerWaalsContact O-CB 3.23Å; A266-R270 WeakPolarHBondContact O-CB 3.31Å; A266-R270 VanDerWaalsContact O-CG 3.25Å; A266-R270 WeakPolarHBondContact O-CG 3.39Å; A266-R270 PolarHBondContact O-N 2.92Å; R270-A272 VanDerWaalsContact C-N 3.34Å; R270-E273 PolarHBondContact O-N 3.34Å; R270-K274 PolarHBondContact O-N 3.03Å |
| 271 | A | 56 | Low | 49.3 | Very low | 65 Ų | 65 | 123.8 Ų | 123.8 | 54% | 0.537 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -67.9 | -33.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N267 Q269 | N267-A271 WeakPolarHBondContact O-CB 3.36Å; N267-A271 PolarHBondContact O-N 2.93Å; Q269-A271 VanDerWaalsContact C-N 3.29Å; Q269-A271 PolarHBondContact O-N 3.45Å |
| 272 | A | 55.1 | Low | 48.6 | Very low | 75 Ų | 75 | 125.2 Ų | 125.2 | 62% | 0.62 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -76.1 | -30.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | W268 Q269 R270 | W268-A272 PolarHBondContact O-N 3.47Å; Q269-A272 PolarHBondContact O-N 3.06Å; Q269-A272 VanDerWaalsContact O-N 3.12Å; R270-A272 VanDerWaalsContact C-N 3.34Å |
| 273 | E | 50.7 | Low | 48.3 | Very low | 134 Ų | 134 | 127.1 Ų | 127.1 | 63% | 0.626 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -83.4 | -18.8 | -176 | -68.6 | 168.2 | -169.3 | 0 | 0 | 114.1 | Q269 R270 T275 | Q269-E273 VanDerWaalsContact O-CG 3.26Å; Q269-E273 WeakPolarHBondContact O-CG 3.32Å; Q269-E273 PolarHBondContact O-N 3.43Å; R270-E273 PolarHBondContact O-N 3.34Å; E273-T275 PolarHBondContact O-N 3.32Å; E273-T275 VanDerWaalsContact O-N 3.1Å |
| 274 | K | 50.2 | Low | 48.1 | Very low | 194 Ų | 194 | 132.9 Ų | 132.9 | 84% | 0.843 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 0.3 | 177.7 | -154.7 | -178.6 | 175 | -168.9 | 0 | 113.9 | R270 | R270-K274 PolarHBondContact O-N 3.03Š|
| 275 | T | 43.9 | Very low | 48.2 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 71% | 0.712 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -112.3 | 76.3 | 164.7 | -51.9 | 0 | 0 | 0 | 0 | 108.6 | E273 | E273-T275 PolarHBondContact O-N 3.32Å; E273-T275 VanDerWaalsContact O-N 3.1Å |
| 276 | G | 37.6 | Very low | 47.8 | Very low | 57 Ų | 57 | 137.2 Ų | 137.2 | 59% | 0.588 | 71% | 0.713 | S | S | * | * | | | trans | -57.6 | 138.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 277 | N | 46.6 | Very low | 47.8 | Very low | 165 Ų | 165 | 143.7 Ų | 143.7 | 88% | 0.882 | 74% | 0.737 | S | S | * | * | | | trans | 60.8 | 62.6 | 156.9 | -71.7 | 42.3 | 0 | 0 | 0 | 118.9 | | |
| 278 | M | 38.5 | Very low | 48.2 | Very low | 155 Ų | 155 | 144.3 Ų | 144.3 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | | | trans | -124.8 | 100.3 | 152 | -67 | -128.3 | 77.4 | 0 | 0 | 110.5 | S280 | M278-S280 PolarHBondContact O-N 3.41Š|
| 279 | Q | 45.8 | Very low | 48.5 | Very low | 201 Ų | 201 | 141 Ų | 141 | 94% | 0.939 | 74% | 0.74 | S | S | * | * | | | trans | -60.1 | 101.9 | 158.9 | -70.2 | 178.6 | -11.8 | 0 | 0 | 108.4 | | |
| 280 | S | 36.4 | Very low | 48.3 | Very low | 100 Ų | 100 | 141 Ų | 141 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | | | trans | 179.4 | 102.1 | 152 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | M278 Q282 | M278-S280 PolarHBondContact O-N 3.41Å; S280-Q282 PolarHBondContact O-N 3.04Å |
| 281 | T | 46.6 | Very low | 47.8 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | | | trans | -64.1 | 96 | 165.8 | 32.7 | 0 | 0 | 0 | 0 | 110 | | |
| 282 | Q | 33.8 | Very low | 47.5 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 73% | 0.729 | 77% | 0.771 | S | S | * | * | | | trans | -146.2 | 135 | 151.2 | -77 | -155.2 | -7.4 | 0 | 0 | 110.3 | S280 R284 | S280-Q282 PolarHBondContact O-N 3.04Å; Q282-R284 PolarHBondContact O-N 3.18Å |
| 283 | P | 43.4 | Very low | 47.4 | Very low | 120 Ų | 120 | 148.4 Ų | 148.4 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | | | trans | -69.2 | 105.4 | 169.8 | 29.5 | -30.2 | 0 | 0 | 0 | 107.5 | I285 | P283-I285 PolarHBondContact O-N 3.49Š|
| 284 | R | 49.5 | Very low | 47.4 | Very low | 229 Ų | 229 | 151 Ų | 151 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | -68.2 | 100.6 | 173.4 | -80.6 | -170.9 | -77.9 | -153.8 | -3.9 | 108.2 | Q282 M286 | Q282-R284 PolarHBondContact O-N 3.18Å; R284-M286 PolarHBondContact O-N 3.25Å |
| 285 | I | 54.6 | Low | 47 | Very low | 158 Ų | 158 | 151.4 Ų | 151.4 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | trans | -52.8 | 122.5 | 165.2 | -59.2 | 167.2 | 0 | 0 | 0 | 106.4 | P283 Q287 | P283-I285 PolarHBondContact O-N 3.49Å; I285-Q287 PolarHBondContact O-N 3.47Å |
| 286 | M | 46.8 | Very low | 47.3 | Very low | 164 Ų | 164 | 149.4 Ų | 149.4 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | | | trans | -52 | 104.2 | 180 | -172.2 | 170.5 | 54.6 | 0 | 0 | 109.9 | R284 V288 | R284-M286 PolarHBondContact O-N 3.25Å; M286-V288 PolarHBondContact O-N 3.04Å; M286-V288 VanDerWaalsContact O-N 3.15Å |
| 287 | Q | 55.6 | Low | 47.8 | Very low | 171 Ų | 171 | 154 Ų | 154 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | | | trans | -80.5 | 95.9 | -177.1 | -166.3 | 174.5 | 2 | 0 | 0 | 108.5 | I285 I289 | I285-Q287 PolarHBondContact O-N 3.47Å; Q287-I289 HydrophobicContact CG-CG1 4.43Å; Q287-I289 PolarHBondContact O-N 2.92Å; Q287-I289 VanDerWaalsContact O-N 3.14Å |
| 288 | V | 59.8 | Low | 47.5 | Very low | 128 Ų | 128 | 154.4 Ų | 154.4 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | | | trans | -75.1 | 100 | 173.6 | -161.5 | 0 | 0 | 0 | 0 | 107.4 | M286 S290 | M286-V288 PolarHBondContact O-N 3.04Å; M286-V288 VanDerWaalsContact O-N 3.15Å; V288-S290 PolarHBondContact O-N 3.27Å |
| 289 | I | 52.1 | Low | 47.5 | Very low | 129 Ų | 129 | 154 Ų | 154 | 66% | 0.662 | 81% | 0.809 | S | S | * | * | | | trans | -77.9 | 112.9 | 172 | -61.1 | 172.2 | 0 | 0 | 0 | 107.2 | Q287 M291 | Q287-I289 HydrophobicContact CG-CG1 4.43Å; Q287-I289 PolarHBondContact O-N 2.92Å; Q287-I289 VanDerWaalsContact O-N 3.14Å; I289-M291 PolarHBondContact O-N 2.89Å |
| 290 | S | 53.7 | Low | 46.9 | Very low | 104 Ų | 104 | 151 Ų | 151 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | -66.8 | 96.7 | 167.7 | 54.9 | 0 | 0 | 0 | 0 | 109.6 | V288 S292 | V288-S290 PolarHBondContact O-N 3.27Å; S290-S292 PolarHBondContact O-N 2.87Å |
| 291 | M | 46.8 | Very low | 46.8 | Very low | 183 Ų | 183 | 152.8 Ų | 152.8 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | | | trans | -76 | 68.9 | 162.4 | -73.5 | -176.6 | 51.5 | 0 | 0 | 109.3 | I289 | I289-M291 PolarHBondContact O-N 2.89Š|
| 292 | S | 50.1 | Low | 46.5 | Very low | 110 Ų | 110 | 151.6 Ų | 151.6 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | | | trans | -106.3 | 78.7 | 167.3 | -174 | 0 | 0 | 0 | 0 | 108.6 | S290 | S290-S292 PolarHBondContact O-N 2.87Š|
| 293 | K | 53.1 | Low | 46.6 | Very low | 198 Ų | 198 | 152.5 Ų | 152.5 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | | | trans | -167.5 | 97.4 | 157.2 | -126.8 | 178.1 | 168 | -178.1 | 0 | 109.5 | | |
| 294 | Q | 49.8 | Very low | 46.1 | Very low | 188 Ų | 188 | 152.1 Ų | 152.1 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | | | trans | 158.6 | 108 | 139.7 | -87.9 | 165.7 | 11.7 | 0 | 0 | 108.7 | | |
| 295 | Q | 42.8 | Very low | 45.6 | Very low | 203 Ų | 203 | 148.7 Ų | 148.7 | 95% | 0.949 | 80% | 0.799 | S | S | * | * | | | trans | 163.2 | 77.4 | 138.6 | -89.6 | 174.2 | 0.1 | 0 | 0 | 107.9 | | |
| 296 | G | 49.8 | Very low | 44.5 | Very low | 74 Ų | 74 | 147.3 Ų | 147.3 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | | | trans | -108.8 | 137 | 158.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 297 | L | 48 | Very low | 44 | Very low | 154 Ų | 154 | 147.9 Ų | 147.9 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | | | trans | 88.2 | 75.5 | 176.3 | -119.2 | 74.5 | 0 | 0 | 0 | 116.6 | | |
| 298 | L | 41 | Very low | 43.1 | Very low | 173 Ų | 173 | 143.9 Ų | 143.9 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | | | trans | -103.3 | 107.2 | 138 | -68.8 | -177.7 | 0 | 0 | 0 | 107.8 | T300 | L298-T300 PolarHBondContact O-N 3.4Š|
| 299 | Q | 37.8 | Very low | 42.1 | Very low | 145 Ų | 145 | 143 Ų | 143 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | | | trans | -55 | 120.4 | 165.7 | -87.2 | 171.5 | -22.6 | 0 | 0 | 110 | | |
| 300 | T | 33.6 | Very low | 41.4 | Very low | 138 Ų | 138 | 145 Ų | 145 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | | | trans | -101.1 | 89.4 | 157.8 | 49.7 | 0 | 0 | 0 | 0 | 108.3 | L298 | L298-T300 PolarHBondContact O-N 3.4Š|
| 301 | H | 34 | Very low | 40.5 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 64% | 0.644 | 79% | 0.794 | S | S | * | * | | | trans | -83.9 | 120.7 | 165.6 | -82.3 | -76.3 | 0 | 0 | 0 | 109.2 | | |
| 302 | S | 41.6 | Very low | 39.9 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | trans | -79.3 | 134.1 | 165.1 | -52.4 | 0 | 0 | 0 | 0 | 111 | | |
| 303 | K | 35.2 | Very low | 39.5 | Very low | 176 Ų | 176 | 147 Ų | 147 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | | | trans | 175.7 | 109.4 | 155.6 | 43.6 | -167.4 | 173.6 | 175.8 | 0 | 108.4 | | |
| 304 | S | 32.2 | Very low | 38.6 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | | | | 88.8 | 145.5 | 75.4 | 74.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 305 | L | 39.6 | Very low | 38 | Very low | 156 Ų | 156 | 143.3 Ų | 143.3 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | | | trans | 94.8 | 130.3 | 168.9 | -151.3 | 78.6 | 0 | 0 | 0 | 114.4 | | |
| 306 | D | 32 | Very low | 37.6 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 69% | 0.69 | 79% | 0.787 | S | S | * | * | | | cis | -150.4 | 158.7 | 2.1 | -120.8 | -28.8 | 0 | 0 | 0 | 104.4 | | |
| 307 | E | 36.5 | Very low | 36.8 | Very low | 176 Ų | 176 | 139.4 Ų | 139.4 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | | -177.1 | 151.9 | 75.5 | -162.9 | 148.3 | 134.9 | 0 | 0 | 110.9 | | |
| 308 | S | 35.3 | Very low | 36.1 | Very low | 87 Ų | 87 | 137.7 Ų | 137.7 | 61% | 0.608 | 79% | 0.79 | S | S | * | * | | | trans | -47.6 | 141.6 | -166.7 | 56.1 | 0 | 0 | 0 | 0 | 120.6 | | |
| 309 | S | 38.5 | Very low | 35.9 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | trans | -69.3 | 122.7 | 143.9 | 133.4 | 0 | 0 | 0 | 0 | 110 | | |
| 310 | M | 37.8 | Very low | 35.7 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | | | trans | -147.7 | 130.5 | 150.8 | -65.2 | -63 | 166.5 | 0 | 0 | 108.2 | | |
| 311 | G | 35.2 | Very low | 35.9 | Very low | 73 Ų | 73 | 133.9 Ų | 133.9 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | trans | -75.8 | 159.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 312 | F | 34.9 | Very low | 36.1 | Very low | 208 Ų | 208 | 132.6 Ų | 132.6 | 91% | 0.912 | 79% | 0.79 | S | S | * | * | | | trans | -154.7 | 129.4 | 146.7 | -128.8 | -91.5 | 0 | 0 | 0 | 109 | | |
| 313 | N | 41.3 | Very low | 36.1 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | | | trans | -61.6 | 133.8 | 163.5 | -86.3 | -11.8 | 0 | 0 | 0 | 109.1 | | |
| 314 | D | 33.9 | Very low | 35.9 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | | | trans | -156 | 149.4 | 132.3 | -147.7 | -7.8 | 0 | 0 | 0 | 111.7 | | |
| 315 | N | 37.1 | Very low | 36.2 | Very low | 158 Ų | 158 | 145.4 Ų | 145.4 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | | | trans | -53.3 | 148.8 | -170.7 | -70.5 | -25.7 | 0 | 0 | 0 | 116.3 | | |
| 316 | G | 35.1 | Very low | 36.4 | Very low | 77 Ų | 77 | 142.5 Ų | 142.5 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | 178.4 | 75.2 | 164 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 317 | S | 32.1 | Very low | 36.5 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | trans | -24.2 | 130.5 | 162.5 | -171.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 318 | C | 33.1 | Very low | 36.5 | Very low | 119 Ų | 119 | 140 Ų | 140 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | | -164.1 | 113 | 91.6 | 42.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 319 | H | 36.8 | Very low | 37 | Very low | 200 Ų | 200 | 143.2 Ų | 143.2 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | | | trans | -93.5 | 131.3 | 154.2 | -92.3 | 66.8 | 0 | 0 | 0 | 108.4 | | |
| 320 | G | 34 | Very low | 36.8 | Very low | 71 Ų | 71 | 146.9 Ų | 146.9 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | | | trans | -139.3 | 93.8 | 156.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 321 | S | 37.2 | Very low | 36.8 | Very low | 105 Ų | 105 | 145.6 Ų | 145.6 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | | | | 57.5 | 121 | 108.3 | -167.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 322 | T | 38.1 | Very low | 37.6 | Very low | 112 Ų | 112 | 147 Ų | 147 | 69% | 0.687 | 80% | 0.802 | S | S | * | * | | | | -167.8 | 137.5 | 62.6 | -44.2 | 0 | 0 | 0 | 0 | 110.4 | Y324 | T322-Y324 HydrophobicContact CG2-CD2 4.49Å; T322-Y324 HydrophobicContact CG2-CE2 4.34Å |
| 323 | R | 41.5 | Very low | 38.2 | Very low | 239 Ų | 239 | 144.7 Ų | 144.7 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | | | trans | -75.9 | 132.6 | 171.2 | -61.3 | -168.7 | -70.9 | -119.9 | 2.4 | 110.4 | | |
| 324 | Y | 32.6 | Very low | 38.3 | Very low | 224 Ų | 224 | 141.9 Ų | 141.9 | 88% | 0.878 | 79% | 0.79 | S | S | * | * | | | trans | -131.5 | 148 | 150.3 | -91.3 | -82.9 | 0 | 0 | 0 | 111.1 | T322 | T322-Y324 HydrophobicContact CG2-CD2 4.49Å; T322-Y324 HydrophobicContact CG2-CE2 4.34Å |
| 325 | R | 38.3 | Very low | 39.1 | Very low | 213 Ų | 213 | 141.6 Ų | 141.6 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -74.7 | 146.7 | -157.9 | -64.6 | -99.1 | -85.9 | -98.2 | -5.2 | 112.5 | | |
| 326 | A | 42.5 | Very low | 39.8 | Very low | 94 Ų | 94 | 141 Ų | 141 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | | | trans | -69.8 | 132.5 | 152.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 327 | L | 35.4 | Very low | 40.5 | Very low | 134 Ų | 134 | 143.7 Ų | 143.7 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | | | trans | -176.9 | 132.2 | 153.7 | -97.4 | 148.7 | 0 | 0 | 0 | 110.4 | | |
| 328 | T | 36.8 | Very low | 41.7 | Very low | 119 Ų | 119 | 148.7 Ų | 148.7 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | | | trans | 68 | 102.9 | 149.4 | 59.9 | 0 | 0 | 0 | 0 | 120.1 | | |
| 329 | D | 44 | Very low | 42.6 | Very low | 154 Ų | 154 | 148.9 Ų | 148.9 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | | | | 15.4 | 107.7 | 115.3 | -165.7 | 31.3 | 0 | 0 | 0 | 116.5 | | |
| 330 | Q | 35.2 | Very low | 43.3 | Very low | 187 Ų | 187 | 146.6 Ų | 146.6 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | trans | -171.3 | 107.2 | 140.4 | -104.7 | -164.5 | 57.6 | 0 | 0 | 109 | | |
| 331 | D | 37.5 | Very low | 44.2 | Very low | 145 Ų | 145 | 147.1 Ų | 147.1 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | | | trans | -71.3 | 160.2 | 146.4 | -113.1 | -27.7 | 0 | 0 | 0 | 108.1 | | |
| 332 | P | 52.4 | Low | 44.7 | Very low | 102 Ų | 102 | 148.1 Ų | 148.1 | 66% | 0.662 | 77% | 0.768 | S | S | * | * | | | cis | -139.7 | -178.9 | 25.5 | 32.7 | -9.2 | 0 | 0 | 0 | 115.1 | | |
| 333 | I | 47.7 | Very low | 45.3 | Very low | 160 Ų | 160 | 148 Ų | 148 | 82% | 0.821 | 77% | 0.769 | S | S | * | * | | | trans | 97 | 78.8 | 165.4 | -44 | 155.9 | 0 | 0 | 0 | 114.5 | | |
| 334 | S | 42.3 | Very low | 46.3 | Very low | 97 Ų | 97 | 143.5 Ų | 143.5 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | | | trans | -158.2 | 115.3 | 135.2 | 57 | 0 | 0 | 0 | 0 | 110.4 | I336 | S334-I336 PolarHBondContact O-N 2.9Š|
| 335 | T | 51.6 | Low | 47.2 | Very low | 145 Ų | 145 | 139.9 Ų | 139.9 | 89% | 0.89 | 75% | 0.754 | S | S | * | * | | | trans | -53.3 | 95.7 | 172.8 | 48.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 336 | I | 51.2 | Low | 47.7 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 74% | 0.744 | 75% | 0.752 | S | S | * | * | | | trans | -135.9 | 104.9 | 161.8 | -56 | 176.6 | 0 | 0 | 0 | 107.6 | S334 R338 | S334-I336 PolarHBondContact O-N 2.9Å; I336-R338 PolarHBondContact O-N 3.27Å |
| 337 | V | 50.9 | Low | 47.9 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | | | trans | -70.8 | 99.4 | 170.4 | 179.1 | 0 | 0 | 0 | 0 | 107.5 | V339 | V337-V339 HydrophobicContact CG1-CG2 4.05Å; V337-V339 PolarHBondContact O-N 2.82Å |
| 338 | R | 57.2 | Low | 48.3 | Very low | 222 Ų | 222 | 139.7 Ų | 139.7 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | | | trans | -82.8 | 107.1 | 165.5 | -172.4 | 179.7 | 178.9 | 93.8 | -0.4 | 107.3 | I336 E340 | I336-R338 PolarHBondContact O-N 3.27Å; R338-E340 PolarHBondContact O-N 3.01Å |
| 339 | V | 51 | Low | 49 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | | | trans | -76.7 | 101.2 | 169.7 | 179.7 | 0 | 0 | 0 | 0 | 107.4 | V337 A341 | V337-V339 HydrophobicContact CG1-CG2 4.05Å; V337-V339 PolarHBondContact O-N 2.82Å; V339-A341 PolarHBondContact O-N 3.18Å |
| 340 | E | 51.9 | Low | 49.1 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 71% | 0.71 | 76% | 0.756 | S | S | * | * | | | trans | -78.7 | 107.8 | 172.9 | -175.1 | 172.6 | -176.4 | 0 | 0 | 108.9 | R338 | R338-E340 PolarHBondContact O-N 3.01Š|
| 341 | A | 52.5 | Low | 49.2 | Very low | 82 Ų | 82 | 139.1 Ų | 139.1 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | | | trans | -99.6 | 31.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V339 | V339-A341 PolarHBondContact O-N 3.18Š|
| 342 | H | 49.1 | Very low | 49.5 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 58% | 0.583 | 74% | 0.743 | S | S | * | * | | | trans | -143.2 | 116.2 | 174.5 | -85.8 | -75.7 | 0 | 0 | 0 | 112.4 | E344 | H342-E344 HydrophobicContact CB-CG 4.33Å; H342-E344 VanDerWaalsContact CB-OE1 3.22Å; H342-E344 WeakPolarHBondContact CB-OE1 3.34Å; H342-E344 PolarHBondContact O-N 3.33Å |
| 343 | P | 50.4 | Low | 49 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | | | trans | -83.7 | 65.6 | 171.9 | 34.7 | -33.1 | 0 | 0 | 0 | 109.6 | N345 | P343-N345 PolarHBondContact O-N 3.4Š|
| 344 | E | 60.8 | Low | 48.6 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 67% | 0.673 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 54.8 | 178.5 | 53.1 | -141 | 152.8 | 0 | 0 | 112.4 | H342 | H342-E344 HydrophobicContact CB-CG 4.33Å; H342-E344 VanDerWaalsContact CB-OE1 3.22Å; H342-E344 WeakPolarHBondContact CB-OE1 3.34Å; H342-E344 PolarHBondContact O-N 3.33Å |
| 345 | N | 53.4 | Low | 48.9 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161 | 28.7 | 156.4 | -130.1 | -7.3 | 0 | 0 | 0 | 116.5 | P343 | P343-N345 PolarHBondContact O-N 3.4Š|
| 346 | N | 46.9 | Very low | 48.6 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | | | trans | -98.6 | 90.6 | 172.3 | -76.9 | -5.9 | 0 | 0 | 0 | 110.7 | | |
| 347 | K | 48.5 | Very low | 48.7 | Very low | 181 Ų | 181 | 132.3 Ų | 132.3 | 79% | 0.787 | 75% | 0.748 | S | S | * | * | | | trans | -55.3 | 130.2 | 152.6 | -65 | -176.6 | 179.9 | -177.6 | 0 | 107 | V349 | K347-V349 PolarHBondContact O-N 3.46Š|
| 348 | P | 43.2 | Very low | 48.6 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | | | trans | -67.6 | 102.2 | 174.6 | 27 | -31.7 | 0 | 0 | 0 | 108.2 | I350 | P348-I350 VanDerWaalsContact C-N 3.34Å; P348-I350 PolarHBondContact O-N 3.41Å |
| 349 | V | 50.4 | Low | 48.3 | Very low | 131 Ų | 131 | 124.9 Ų | 124.9 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | | | trans | -68.2 | 101 | 161.4 | 175 | 0 | 0 | 0 | 0 | 105.5 | K347 Q351 | K347-V349 PolarHBondContact O-N 3.46Å; V349-Q351 VanDerWaalsContact C-N 3.27Å; V349-Q351 PolarHBondContact O-N 3.13Å |
| 350 | I | 46.4 | Very low | 48 | Very low | 154 Ų | 154 | 123.2 Ų | 123.2 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | | | trans | -70.1 | 92.8 | 169.7 | -58.3 | 173.7 | 0 | 0 | 0 | 106 | P348 A352 | P348-I350 VanDerWaalsContact C-N 3.34Å; P348-I350 PolarHBondContact O-N 3.41Å; I350-A352 PolarHBondContact O-N 3.46Å |
| 351 | Q | 37.4 | Very low | 47.5 | Very low | 162 Ų | 162 | 128.2 Ų | 128.2 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | | | trans | -71 | 109.8 | 163.8 | -168.5 | 168.8 | -2.8 | 0 | 0 | 106.4 | V349 | V349-Q351 VanDerWaalsContact C-N 3.27Å; V349-Q351 PolarHBondContact O-N 3.13Å |
| 352 | A | 44.8 | Very low | 48.4 | Very low | 74 Ų | 74 | 133 Ų | 133 | 61% | 0.612 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 130.3 | 170 | 0 | 0 | 0 | 0 | 0 | 107.7 | I350 S354 | I350-A352 PolarHBondContact O-N 3.46Å; A352-S354 PolarHBondContact O-N 3.42Å |
| 353 | P | 40.5 | Very low | 48.1 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 131.9 | 176.2 | 20.1 | -28.4 | 0 | 0 | 0 | 108.1 | T355 | P353-T355 PolarHBondContact O-N 3.44Š|
| 354 | S | 39.2 | Very low | 47.9 | Very low | 88 Ų | 88 | 143.9 Ų | 143.9 | 62% | 0.615 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 142.2 | 175.8 | -66.9 | 0 | 0 | 0 | 0 | 108.7 | A352 D356 | A352-S354 PolarHBondContact O-N 3.42Å; S354-D356 PolarHBondContact O-N 3.09Å |
| 355 | T | 49.3 | Very low | 46.9 | Very low | 152 Ų | 152 | 142.6 Ų | 142.6 | 93% | 0.933 | 78% | 0.784 | S | S | * | * | | | trans | -72.2 | 75.7 | 178.4 | -53.4 | 0 | 0 | 0 | 0 | 108.7 | P353 | P353-T355 PolarHBondContact O-N 3.44Š|
| 356 | D | 46.3 | Very low | 46.5 | Very low | 134 Ų | 134 | 144.5 Ų | 144.5 | 72% | 0.717 | 79% | 0.793 | S | S | * | * | | | trans | -116.4 | 50.3 | 165.7 | 71.8 | -26.9 | 0 | 0 | 0 | 110 | S354 S358 | S354-D356 PolarHBondContact O-N 3.09Å; D356-S358 VanDerWaalsContact C-N 3.26Å; D356-S358 PolarHBondContact O-N 3.1Å |
| 357 | G | 51.6 | Low | 45.9 | Very low | 83 Ų | 83 | 140.6 Ų | 140.6 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 59.9 | 8.3 | 138.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 358 | S | 49.7 | Very low | 45.6 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -156.5 | 75.4 | -177 | -174.4 | 0 | 0 | 0 | 0 | 113.8 | D356 | D356-S358 VanDerWaalsContact C-N 3.26Å; D356-S358 PolarHBondContact O-N 3.1Å |
| 359 | G | 51.3 | Low | 45.2 | Very low | 81 Ų | 81 | 136.9 Ų | 136.9 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | trans | 170.8 | 54.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 360 | S | 43.8 | Very low | 44.4 | Very low | 90 Ų | 90 | 136.2 Ų | 136.2 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | | | trans | -128 | 118.3 | 168.8 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | R362 | S360-R362 PolarHBondContact O-N 3.43Š|
| 361 | W | 42 | Very low | 43.9 | Very low | 257 Ų | 257 | 136.8 Ų | 136.8 | 97% | 0.973 | 80% | 0.801 | S | S | * | * | | | trans | -65.3 | 83.2 | 174 | -66.4 | 95.9 | 0 | 0 | 0 | 109.1 | | |
| 362 | R | 71.6 | Confident | 44.1 | Very low | 181 Ų | 181 | 139.1 Ų | 139.1 | 68% | 0.683 | 80% | 0.803 | S | S | * | * | | | trans | -81.9 | 125.5 | 170 | 62.9 | -177 | 68.9 | -114.5 | 2.5 | 108.7 | S360 R364 | S360-R362 PolarHBondContact O-N 3.43Å; R362-R364 PolarHBondContact O-N 3.22Å |
| 363 | W | 42.8 | Very low | 43.7 | Very low | 246 Ų | 246 | 143.4 Ų | 143.4 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | | | trans | -60 | 120.9 | 162.6 | -68.2 | 97.3 | 0 | 0 | 0 | 107.8 | S365 | W363-S365 PolarHBondContact O-N 2.92Š|
| 364 | R | 45.9 | Very low | 43.5 | Very low | 220 Ų | 220 | 143.2 Ų | 143.2 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | | | trans | -76 | 103.3 | 175.9 | -67.8 | -116 | -127.7 | -93.4 | 1.1 | 108 | R362 L366 | R362-R364 PolarHBondContact O-N 3.22Å; R364-L366 PolarHBondContact O-N 3.34Å |
| 365 | S | 39.7 | Very low | 43.3 | Very low | 116 Ų | 116 | 145.1 Ų | 145.1 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | | | trans | -66.9 | 119.4 | 160.7 | -58.4 | 0 | 0 | 0 | 0 | 108 | W363 G367 | W363-S365 PolarHBondContact O-N 2.92Å; S365-G367 VanDerWaalsContact C-N 3.33Å; S365-G367 PolarHBondContact O-N 3.44Å |
| 366 | L | 45.2 | Very low | 42.7 | Very low | 187 Ų | 187 | 146.6 Ų | 146.6 | 98% | 0.979 | 81% | 0.811 | S | S | * | * | | | trans | -68.4 | 93.9 | 168.7 | -78.3 | 153.7 | 0 | 0 | 0 | 108.1 | R364 | R364-L366 PolarHBondContact O-N 3.34Š|
| 367 | G | 35 | Very low | 42.6 | Very low | 59 Ų | 59 | 149 Ų | 149 | 61% | 0.608 | 82% | 0.818 | S | S | * | * | | | trans | -104.6 | 153.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | S365 | S365-G367 VanDerWaalsContact C-N 3.33Å; S365-G367 PolarHBondContact O-N 3.44Å |
| 368 | P | 42.3 | Very low | 41.9 | Very low | 134 Ų | 134 | 151.7 Ų | 151.7 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | | | trans | -69.1 | 144 | -166.9 | -9.2 | 25.2 | 0 | 0 | 0 | 112 | S370 | P368-S370 PolarHBondContact O-N 3.31Š|
| 369 | G | 34.3 | Very low | 42 | Very low | 85 Ų | 85 | 153 Ų | 153 | 88% | 0.876 | 81% | 0.81 | S | S | * | * | | | trans | -56.3 | 128.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 370 | S | 34.3 | Very low | 41.6 | Very low | 117 Ų | 117 | 156.3 Ų | 156.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -92.2 | 110.9 | 168.7 | 174.6 | 0 | 0 | 0 | 0 | 109.3 | P368 | P368-S370 PolarHBondContact O-N 3.31Š|
| 371 | L | 35.6 | Very low | 41.7 | Very low | 166 Ų | 166 | 157.9 Ų | 157.9 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | | | trans | -68.6 | 132.5 | 155.6 | -178.4 | 66.2 | 0 | 0 | 0 | 107.6 | | |
| 372 | R | 40.3 | Very low | 42 | Very low | 211 Ų | 211 | 150.2 Ų | 150.2 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | | | trans | -57.6 | 142.6 | -179.9 | -44 | -140.6 | 74.4 | -129.4 | -3 | 109.5 | | |
| 373 | Q | 36.8 | Very low | 40.8 | Very low | 165 Ų | 165 | 149 Ų | 149 | 77% | 0.771 | 80% | 0.803 | S | S | * | * | | | | 179.1 | 146.9 | 79.3 | -114.2 | -178.1 | -4.9 | 0 | 0 | 110.4 | | |
| 374 | T | 35.8 | Very low | 40.5 | Very low | 116 Ų | 116 | 142 Ų | 142 | 71% | 0.712 | 79% | 0.791 | S | S | * | * | | | trans | 59.9 | 112.6 | 138.1 | -39.6 | 0 | 0 | 0 | 0 | 119 | | |
| 375 | V | 36.5 | Very low | 40.1 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | | 176.3 | 121 | 119.5 | 154.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 376 | E | 36 | Very low | 39.9 | Very low | 183 Ų | 183 | 139.6 Ų | 139.6 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | | | trans | 33.4 | 122 | 150.2 | -125.5 | 165.1 | 136.8 | 0 | 0 | 121.6 | | |
| 377 | H | 44.9 | Very low | 39.5 | Very low | 185 Ų | 185 | 136 Ų | 136 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | | | trans | -55.3 | 132.1 | 164.1 | -65.4 | 117.2 | 0 | 0 | 0 | 111.8 | | |
| 378 | N | 36.2 | Very low | 39.5 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | | | trans | -138.4 | 94.2 | 152.4 | -165.4 | 19 | 0 | 0 | 0 | 108.6 | Q380 | N378-Q380 PolarHBondContact O-N 3.11Š|
| 379 | D | 50.9 | Low | 39.2 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | | | trans | -70.5 | 116.2 | 160.7 | -97.5 | -49.2 | 0 | 0 | 0 | 107.8 | | |
| 380 | Q | 42.8 | Very low | 39.6 | Very low | 151 Ų | 151 | 139.3 Ų | 139.3 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | -163 | 92.6 | 152.1 | -108.1 | 156.7 | 90.6 | 0 | 0 | 109.3 | N378 V382 | N378-Q380 PolarHBondContact O-N 3.11Å; Q380-V382 VanDerWaalsContact C-N 3.33Å; Q380-V382 HydrophobicContact CB-CG2 4.2Å; Q380-V382 HydrophobicContact CG-CG2 4Å; Q380-V382 PolarHBondContact O-N 3.3Å; Q380-V382 VanDerWaalsContact O-N 3.14Å |
| 381 | S | 46.4 | Very low | 40 | Very low | 122 Ų | 122 | 145.2 Ų | 145.2 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | -62.2 | 96.8 | 148.1 | 54.2 | 0 | 0 | 0 | 0 | 108 | | |
| 382 | V | 49.1 | Very low | 39.8 | Very low | 96 Ų | 96 | 146.7 Ų | 146.7 | 58% | 0.582 | 79% | 0.785 | S | S | * | * | | | trans | -131.2 | 114.7 | 164.3 | -177.5 | 0 | 0 | 0 | 0 | 106.1 | Q380 S384 | Q380-V382 VanDerWaalsContact C-N 3.33Å; Q380-V382 HydrophobicContact CB-CG2 4.2Å; Q380-V382 HydrophobicContact CG-CG2 4Å; Q380-V382 PolarHBondContact O-N 3.3Å; Q380-V382 VanDerWaalsContact O-N 3.14Å; V382-S384 PolarHBondContact O-N 3.41Å |
| 383 | D | 45.1 | Very low | 39.5 | Very low | 157 Ų | 157 | 140 Ų | 140 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | | | trans | -42.8 | 124.7 | 167 | -58 | -74 | 0 | 0 | 0 | 110 | | |
| 384 | S | 37.5 | Very low | 39.4 | Very low | 97 Ų | 97 | 137.3 Ų | 137.3 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | | | trans | -147.8 | 93 | 169.4 | -73.7 | 0 | 0 | 0 | 0 | 108.8 | V382 | V382-S384 PolarHBondContact O-N 3.41Š|
| 385 | E | 36.9 | Very low | 39.6 | Very low | 168 Ų | 168 | 138 Ų | 138 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | 10.2 | 117.3 | 140.3 | 60.2 | -155.9 | 88.1 | 0 | 0 | 117.7 | S387 | E385-S387 PolarHBondContact O-N 3.22Š|
| 386 | S | 36.7 | Very low | 39.5 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | trans | -19.1 | 114.3 | 145.8 | 174.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 387 | S | 36.2 | Very low | 39.6 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | -120.2 | 109.6 | 160.8 | -77.2 | 0 | 0 | 0 | 0 | 110.1 | E385 | E385-S387 PolarHBondContact O-N 3.22Š|
| 388 | D | 35.4 | Very low | 39.2 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | | | trans | -63.5 | 134.8 | 169.9 | -154.9 | -30 | 0 | 0 | 0 | 109.7 | A390 | D388-A390 PolarHBondContact OD1-N 2.98Š|
| 389 | S | 35.5 | Very low | 39.1 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -134.5 | 62.7 | 174.6 | 163.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 390 | A | 42 | Very low | 38.1 | Very low | 85 Ų | 85 | 137.4 Ų | 137.4 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | | | trans | -78.5 | 125 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | D388 E392 | D388-A390 PolarHBondContact OD1-N 2.98Å; A390-E392 PolarHBondContact O-N 3.39Å |
| 391 | R | 43.8 | Very low | 37.9 | Very low | 242 Ų | 242 | 139.8 Ų | 139.8 | 91% | 0.913 | 78% | 0.783 | S | S | * | * | | | trans | -55.5 | 122.5 | 177 | -75 | 177.1 | 165.6 | -150.4 | -3.4 | 112.1 | | |
| 392 | E | 31.5 | Very low | 37.1 | Very low | 197 Ų | 197 | 141.5 Ų | 141.5 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | | | trans | 13.2 | 115.9 | 132 | -159.4 | 161.3 | -157 | 0 | 0 | 117.4 | A390 | A390-E392 PolarHBondContact O-N 3.39Š|
| 393 | G | 33.2 | Very low | 36.4 | Very low | 69 Ų | 69 | 143.9 Ų | 143.9 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | | | trans | 170.5 | 86.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 394 | S | 34.6 | Very low | 35.7 | Very low | 109 Ų | 109 | 140.1 Ų | 140.1 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | | | trans | 83.4 | 117.4 | 132.6 | -145.4 | 0 | 0 | 0 | 0 | 121.7 | | |
| 395 | V | 40.7 | Very low | 35.4 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | | | trans | 73.3 | 105.3 | 141 | -61.1 | 0 | 0 | 0 | 0 | 123.2 | | |
| 396 | D | 34.8 | Very low | 35.2 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 64% | 0.642 | 81% | 0.809 | S | S | * | * | | | | 89.2 | 129.9 | 113.8 | -152 | 25.8 | 0 | 0 | 0 | 121.6 | | |
| 397 | R | 37.8 | Very low | 35.1 | Very low | 201 Ų | 201 | 145.5 Ų | 145.5 | 76% | 0.758 | 81% | 0.81 | S | S | * | * | | | trans | 86.2 | 112 | 146.3 | -107.2 | 179.8 | -88.4 | -179.8 | -1.2 | 122.6 | | |
| 398 | K | 35.8 | Very low | 34.9 | Very low | 187 Ų | 187 | 148.8 Ų | 148.8 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | | | | 99.3 | 100.8 | 124.6 | -110.5 | -170.8 | 175.5 | -165.5 | 0 | 120.2 | | |
| 399 | H | 34.3 | Very low | 34.8 | Very low | 193 Ų | 193 | 152.7 Ų | 152.7 | 89% | 0.894 | 82% | 0.817 | S | S | * | * | | | | 57.3 | 122.3 | 122.4 | -128.6 | 114.2 | 0 | 0 | 0 | 120.8 | | |
| 400 | G | 30.1 | Very low | 34.7 | Very low | 69 Ų | 69 | 155.2 Ų | 155.2 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | | | trans | 158.3 | 96.6 | 153.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 401 | K | 38.2 | Very low | 34.3 | Very low | 201 Ų | 201 | 157.7 Ų | 157.7 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | | | trans | -75.1 | 135.8 | 169.2 | -70 | 173.4 | 175.7 | 179.1 | 0 | 110.4 | | |
| 402 | N | 30.7 | Very low | 34.2 | Very low | 157 Ų | 157 | 152 Ų | 152 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | | | trans | -175.4 | 124 | 136.2 | 29.3 | 8.5 | 0 | 0 | 0 | 113.5 | | |
| 403 | T | 33.4 | Very low | 34.5 | Very low | 146 Ų | 146 | 150.5 Ų | 150.5 | 90% | 0.896 | 80% | 0.804 | S | S | * | * | | | trans | -61.4 | 143.2 | 164.1 | 45.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 404 | G | 31.4 | Very low | 34.8 | Very low | 78 Ų | 78 | 151.2 Ų | 151.2 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | 173.9 | 122.2 | 165 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 405 | Q | 30.3 | Very low | 35 | Very low | 195 Ų | 195 | 153.7 Ų | 153.7 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | | | trans | -75.9 | 154 | -172.2 | -56.1 | -175 | -47.5 | 0 | 0 | 113.6 | | |
| 406 | S | 32.5 | Very low | 34.5 | Very low | 119 Ų | 119 | 153 Ų | 153 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | | | | -174.7 | 139.6 | 123.6 | 55.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 407 | E | 34.3 | Very low | 35 | Very low | 183 Ų | 183 | 153.2 Ų | 153.2 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | | | trans | -58.9 | 145.7 | -179.6 | -55.7 | 156.2 | 111.3 | 0 | 0 | 113.9 | | |
| 408 | Q | 33 | Very low | 35.2 | Very low | 181 Ų | 181 | 150.4 Ų | 150.4 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | | | trans | -172 | 102.7 | 134.9 | -108.8 | 173.9 | -0.5 | 0 | 0 | 113.1 | L410 | Q408-L410 PolarHBondContact O-N 3.21Š|
| 409 | R | 32.3 | Very low | 35.4 | Very low | 226 Ų | 226 | 152.6 Ų | 152.6 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | | | trans | 7 | 105.4 | 137.7 | -166.2 | 179.4 | -173.6 | 143.6 | 0.5 | 116.3 | | |
| 410 | L | 33.8 | Very low | 35.8 | Very low | 170 Ų | 170 | 149.6 Ų | 149.6 | 89% | 0.89 | 82% | 0.819 | S | S | * | * | | | trans | -103.8 | 116.8 | 168.5 | -71.2 | 170.7 | 0 | 0 | 0 | 111.4 | Q408 | Q408-L410 PolarHBondContact O-N 3.21Š|
| 411 | H | 34 | Very low | 36.7 | Very low | 137 Ų | 137 | 152.6 Ų | 152.6 | 63% | 0.634 | 82% | 0.823 | S | S | * | * | | | trans | -72.6 | 146.1 | 161.9 | -103.8 | -100.4 | 0 | 0 | 0 | 110.2 | | |
| 412 | P | 41 | Very low | 37 | Very low | 122 Ų | 122 | 148.6 Ų | 148.6 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | | | trans | -91.1 | 109.5 | 171.4 | 33.3 | -26.4 | 0 | 0 | 0 | 109.9 | | |
| 413 | Q | 37.8 | Very low | 37.2 | Very low | 167 Ų | 167 | 144.8 Ų | 144.8 | 78% | 0.78 | 82% | 0.816 | S | S | * | * | | | trans | -139.5 | 94.5 | 164.7 | -69.1 | 179.9 | -0.4 | 0 | 0 | 108.8 | L415 | Q413-L415 PolarHBondContact O-N 3.34Š|
| 414 | G | 39.3 | Very low | 37.3 | Very low | 83 Ų | 83 | 145.8 Ų | 145.8 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | | | trans | -83.1 | 103.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 415 | L | 38.5 | Very low | 37.4 | Very low | 162 Ų | 162 | 145.8 Ų | 145.8 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | | | trans | -130.6 | 110 | 161.7 | -67.2 | 176.5 | 0 | 0 | 0 | 108 | Q413 | Q413-L415 PolarHBondContact O-N 3.34Š|
| 416 | S | 32.1 | Very low | 37.4 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | -84.1 | 120.9 | 173.9 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 417 | T | 43.8 | Very low | 37.8 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 77% | 0.767 | 81% | 0.814 | S | S | * | * | | | trans | -126.4 | 115.7 | 167.5 | -59.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 418 | I | 43.6 | Very low | 38.2 | Very low | 142 Ų | 142 | 140.2 Ų | 140.2 | 73% | 0.728 | 81% | 0.813 | S | S | * | * | | | trans | -77.5 | 122.3 | 176.5 | -63 | 167.6 | 0 | 0 | 0 | 108.1 | V420 | I418-V420 HydrophobicContact CG2-CG1 4.35Š|
| 419 | R | 39.8 | Very low | 38.3 | Very low | 233 Ų | 233 | 135.2 Ų | 135.2 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | | | trans | -95.6 | 122.9 | 166.1 | -71.5 | -165.3 | -79.5 | -175.6 | -4.6 | 108.7 | | |
| 420 | V | 41.3 | Very low | 38.6 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | | | trans | -110.3 | 118.8 | 168 | -85.6 | 0 | 0 | 0 | 0 | 109 | I418 | I418-V420 HydrophobicContact CG2-CG1 4.35Š|
| 421 | T | 49.4 | Very low | 38.7 | Very low | 131 Ų | 131 | 125.5 Ų | 125.5 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 130.6 | 173.1 | -51.5 | 0 | 0 | 0 | 0 | 108.6 | G423 | T421-G423 PolarHBondContact O-N 2.98Š|
| 422 | P | 43.9 | Very low | 38.7 | Very low | 117 Ų | 117 | 123.2 Ų | 123.2 | 76% | 0.76 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 124.5 | 169.3 | -13.1 | 28.8 | 0 | 0 | 0 | 110 | | |
| 423 | G | 35.5 | Very low | 38.4 | Very low | 78 Ų | 78 | 121.2 Ų | 121.2 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 120.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | T421 | T421-G423 PolarHBondContact O-N 2.98Š|
| 424 | D | 36.1 | Very low | 38.3 | Very low | 166 Ų | 166 | 117.1 Ų | 117.1 | 89% | 0.888 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 138.2 | 169.8 | -76.4 | -46.1 | 0 | 0 | 0 | 111.4 | | |
| 425 | G | 33.5 | Very low | 38.1 | Very low | 79 Ų | 79 | 120.1 Ų | 120.1 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | | | trans | 83.2 | 113.5 | 143.3 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 426 | C | 30.6 | Very low | 38.3 | Very low | 125 Ų | 125 | 119.9 Ų | 119.9 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | | | | -179.1 | 125 | 120.9 | -158.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 427 | C | 39.3 | Very low | 38.4 | Very low | 127 Ų | 127 | 118.5 Ų | 118.5 | 86% | 0.858 | 83% | 0.827 | S | S | * | * | | | trans | -112.7 | 144.7 | 164.8 | -66.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 428 | P | 44 | Very low | 38 | Very low | 127 Ų | 127 | 116.2 Ų | 116.2 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | | | trans | -128.2 | 128 | 157 | 32 | -16.3 | 0 | 0 | 0 | 113.8 | | |
| 429 | G | 34.6 | Very low | 37.7 | Very low | 77 Ų | 77 | 118.5 Ų | 118.5 | 79% | 0.794 | 84% | 0.836 | S | S | * | * | | | | 101.5 | 114.8 | 127.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 430 | A | 39.4 | Very low | 37.4 | Very low | 114 Ų | 114 | 112.2 Ų | 112.2 | 94% | 0.942 | 83% | 0.833 | S | S | * | * | | | trans | 68.9 | 138.8 | 143.2 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 431 | G | 34.6 | Very low | 37 | Very low | 77 Ų | 77 | 110.5 Ų | 110.5 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | | | cis | 173.1 | 159.6 | 1.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 432 | G | 34.3 | Very low | 36.3 | Very low | 90 Ų | 90 | 109.3 Ų | 109.3 | 93% | 0.928 | 83% | 0.83 | S | S | * | * | | | trans | 75.1 | 141.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 433 | G | 34.8 | Very low | 36.1 | Very low | 79 Ų | 79 | 112.7 Ų | 112.7 | 81% | 0.814 | 84% | 0.836 | S | S | * | * | | | cis | -169.8 | 137.9 | -3.1 | 0 | 0 | 0 | 0 | 0 | 105.6 | | |
| 434 | G | 35.6 | Very low | 36.2 | Very low | 81 Ų | 81 | 116.5 Ų | 116.5 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | | | | 87.9 | 102.7 | 98.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 435 | N | 35.3 | Very low | 36.6 | Very low | 147 Ų | 147 | 113.8 Ų | 113.8 | 79% | 0.786 | 83% | 0.828 | S | S | * | * | | | | 129.6 | 136.7 | 124.4 | -135.5 | 10.7 | 0 | 0 | 0 | 118.6 | | |
| 436 | L | 43.5 | Very low | 36.5 | Very low | 157 Ų | 157 | 115.8 Ų | 115.8 | 82% | 0.822 | 83% | 0.829 | S | S | * | * | | | trans | 71.2 | 124.9 | 160.7 | -44.9 | 170.2 | 0 | 0 | 0 | 116.4 | | |
| 437 | G | 33.6 | Very low | 36.7 | Very low | 85 Ų | 85 | 116.7 Ų | 116.7 | 88% | 0.876 | 83% | 0.831 | S | S | * | * | | | cis | 119.5 | 101 | 29.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 438 | G | 34.9 | Very low | 36.3 | Very low | 78 Ų | 78 | 115.3 Ų | 115.3 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | | | trans | 164.3 | 106.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 439 | E | 36.8 | Very low | 35.7 | Very low | 190 Ų | 190 | 115.1 Ų | 115.1 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | | | trans | -68.5 | 157 | 178.8 | 55.9 | -139.6 | 71.7 | 0 | 0 | 116.3 | | |
| 440 | A | 35.1 | Very low | 35.7 | Very low | 100 Ų | 100 | 116.4 Ų | 116.4 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | | | trans | 99.9 | 126.4 | 156.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 441 | A | 32.7 | Very low | 35.7 | Very low | 95 Ų | 95 | 121.5 Ų | 121.5 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | | | trans | 100.5 | 114.5 | 150.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 442 | S | 34.5 | Very low | 35.9 | Very low | 107 Ų | 107 | 125.1 Ų | 125.1 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | | | trans | 81.4 | 92.2 | 143.3 | -61.3 | 0 | 0 | 0 | 0 | 120.3 | | |
| 443 | E | 38.6 | Very low | 35.9 | Very low | 187 Ų | 187 | 127.1 Ų | 127.1 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | | | | 32.5 | 100.4 | 119.3 | -157.3 | 173.6 | -156.3 | 0 | 0 | 118.1 | | |
| 444 | I | 38 | Very low | 36.2 | Very low | 159 Ų | 159 | 128.1 Ų | 128.1 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | | | trans | -150.9 | 118 | 153 | -28.9 | 168.4 | 0 | 0 | 0 | 109.5 | | |
| 445 | P | 44.9 | Very low | 36.4 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 71% | 0.708 | 81% | 0.811 | S | S | * | * | | | trans | -112.3 | 123.9 | 154.6 | 33.1 | -21.8 | 0 | 0 | 0 | 108.8 | | |
| 446 | S | 32.2 | Very low | 36.7 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | | | trans | -166.9 | 104 | 153.4 | -87.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 447 | V | 33.4 | Very low | 36.9 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 87% | 0.873 | 82% | 0.819 | S | S | * | * | | | trans | -77.4 | 136.9 | 152.7 | 175.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 448 | A | 31.5 | Very low | 37.2 | Very low | 97 Ų | 97 | 146.2 Ų | 146.2 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | | | trans | -8.5 | 127.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 449 | S | 32.1 | Very low | 37.2 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | | | trans | -140.7 | 135.5 | 148.2 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 450 | S | 33.8 | Very low | 37.3 | Very low | 104 Ų | 104 | 145.3 Ų | 145.3 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | | | trans | -67.1 | 143.9 | -177.6 | -178.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 451 | R | 39.6 | Very low | 37.4 | Very low | 221 Ų | 221 | 148.3 Ų | 148.3 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | | | trans | 153.1 | 150.3 | 132.7 | -89.6 | -176.7 | 159.5 | -160.8 | -3.5 | 114.1 | | |
| 452 | E | 38 | Very low | 37.9 | Very low | 154 Ų | 154 | 151.5 Ų | 151.5 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | | | trans | 79.2 | 86.3 | 154.5 | -136.5 | 87.6 | -127.5 | 0 | 0 | 117.8 | T454 | E452-T454 HydrophobicContact CG-CG2 4.29Å; E452-T454 PolarHBondContact O-N 3.09Å |
| 453 | S | 34.8 | Very low | 38.4 | Very low | 132 Ų | 132 | 153.6 Ų | 153.6 | 92% | 0.923 | 82% | 0.817 | S | S | * | * | | | trans | -79.9 | 92.6 | 162.4 | -169.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 454 | T | 42 | Very low | 38.5 | Very low | 99 Ų | 99 | 152.8 Ų | 152.8 | 61% | 0.607 | 82% | 0.815 | S | S | * | * | | | trans | -108.5 | 122.4 | 160 | 53.4 | 0 | 0 | 0 | 0 | 109.4 | E452 R456 | E452-T454 HydrophobicContact CG-CG2 4.29Å; E452-T454 PolarHBondContact O-N 3.09Å; T454-R456 PolarHBondContact O-N 3.01Å |
| 455 | L | 38.5 | Very low | 38.7 | Very low | 175 Ų | 175 | 152.5 Ų | 152.5 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | | | trans | -43.3 | 101.5 | 169.9 | -82.7 | 146.5 | 0 | 0 | 0 | 112.2 | | |
| 456 | R | 42.7 | Very low | 38.7 | Very low | 229 Ų | 229 | 153.2 Ų | 153.2 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | | | trans | -98.3 | 110.3 | 161.8 | -68.4 | -167.4 | 71.7 | -172.9 | 0.7 | 109 | T454 K458 | T454-R456 PolarHBondContact O-N 3.01Å; R456-K458 PolarHBondContact O-N 3.49Å |
| 457 | R | 47.7 | Very low | 39.1 | Very low | 237 Ų | 237 | 155.6 Ų | 155.6 | 89% | 0.894 | 82% | 0.816 | S | S | * | * | | | trans | -64.2 | 125 | 169.6 | -68.7 | 172.8 | 67 | -127.4 | 2.2 | 108.8 | S459 | R457-S459 PolarHBondContact O-N 3Š|
| 458 | K | 38.8 | Very low | 39.6 | Very low | 209 Ų | 209 | 159 Ų | 159 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | | | trans | -23.6 | 112.6 | 164.2 | -157.7 | 89.8 | 132.8 | -174.9 | 0 | 113.2 | R456 | R456-K458 PolarHBondContact O-N 3.49Š|
| 459 | S | 36.6 | Very low | 39.8 | Very low | 99 Ų | 99 | 158.5 Ų | 158.5 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | | | trans | -90.8 | 123.4 | 159.2 | 52.5 | 0 | 0 | 0 | 0 | 108.2 | R457 | R457-S459 PolarHBondContact O-N 3Š|
| 460 | N | 37.7 | Very low | 39.9 | Very low | 150 Ų | 150 | 160.5 Ų | 160.5 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | | | trans | -177.1 | 94.6 | 148.8 | -92.5 | -1.8 | 0 | 0 | 0 | 107.5 | | |
| 461 | N | 38 | Very low | 39.9 | Very low | 163 Ų | 163 | 161 Ų | 161 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | | | trans | -151.5 | 116.7 | 150.4 | -89.4 | -25.9 | 0 | 0 | 0 | 106.6 | | |
| 462 | I | 42.4 | Very low | 40.8 | Very low | 162 Ų | 162 | 155.8 Ų | 155.8 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | | | trans | -74.5 | 121.6 | -177.3 | -64.7 | 160.7 | 0 | 0 | 0 | 107.6 | | |
| 463 | I | 44.7 | Very low | 40.7 | Very low | 152 Ų | 152 | 156.4 Ų | 156.4 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | | | trans | -112.2 | 116.5 | 164.4 | -61.5 | 176.7 | 0 | 0 | 0 | 106.3 | | |
| 464 | M | 41.3 | Very low | 40.8 | Very low | 170 Ų | 170 | 155.9 Ų | 155.9 | 84% | 0.837 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 126.2 | 175.5 | -66.7 | 171.2 | 62.2 | 0 | 0 | 109.6 | | |
| 465 | I | 42.2 | Very low | 41 | Very low | 153 Ų | 153 | 155.8 Ų | 155.8 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 121.9 | 171.5 | -58.4 | 177.1 | 0 | 0 | 0 | 107.2 | | |
| 466 | P | 45.8 | Very low | 41.5 | Very low | 124 Ų | 124 | 157.5 Ų | 157.5 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73 | 134 | 166.6 | -18.9 | 33 | 0 | 0 | 0 | 111.6 | | |
| 467 | E | 39.9 | Very low | 41.4 | Very low | 171 Ų | 171 | 154 Ų | 154 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 164.5 | -176.9 | -146.3 | -174.8 | 172.6 | 0 | 0 | 113.4 | | |
| 468 | R | 44.6 | Very low | 41.4 | Very low | 216 Ų | 216 | 148.7 Ų | 148.7 | 82% | 0.815 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 161 | -167.4 | -54 | 174 | -169.4 | 89.6 | 0.2 | 116.3 | | |
| 469 | A | 34.4 | Very low | 41.4 | Very low | 86 Ų | 86 | 147.5 Ų | 147.5 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | | | trans | -153.6 | 128.4 | 138.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 470 | N | 34.3 | Very low | 41.7 | Very low | 164 Ų | 164 | 152.7 Ų | 152.7 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | | | trans | 48.1 | 141.8 | 144.8 | -63.5 | -26.6 | 0 | 0 | 0 | 120.7 | | |
| 471 | S | 34.8 | Very low | 41.9 | Very low | 114 Ų | 114 | 154.8 Ų | 154.8 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | cis | -174.6 | 167.8 | -1.8 | -159 | 0 | 0 | 0 | 0 | 105.5 | | |
| 472 | P | 58.6 | Low | 42.2 | Very low | 113 Ų | 113 | 150.7 Ų | 150.7 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | trans | -95.1 | 149.8 | -163.8 | 37 | -30 | 0 | 0 | 0 | 113.7 | | |
| 473 | D | 35.9 | Very low | 42.3 | Very low | 166 Ų | 166 | 148.7 Ų | 148.7 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | | | trans | -155.2 | 145.2 | 156.6 | -140 | -29 | 0 | 0 | 0 | 113.9 | | |
| 474 | N | 37 | Very low | 42.1 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 65% | 0.647 | 80% | 0.797 | S | S | * | * | | | trans | 83.8 | 78.7 | 154.9 | -154.3 | 6.8 | 0 | 0 | 0 | 120.2 | R476 | N474-R476 PolarHBondContact OD1-N 2.97Š|
| 475 | A | 46.2 | Very low | 42.5 | Very low | 97 Ų | 97 | 145.3 Ų | 145.3 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | | | trans | -72.6 | 110.6 | 140.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 476 | R | 48.3 | Very low | 42.7 | Very low | 211 Ų | 211 | 144.2 Ų | 144.2 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | | | trans | 179 | 115.4 | 151.6 | -103.3 | 166.2 | -171.7 | 178 | 4.1 | 109.5 | N474 | N474-R476 PolarHBondContact OD1-N 2.97Š|
| 477 | N | 41.3 | Very low | 43.2 | Very low | 157 Ų | 157 | 144 Ų | 144 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | | | | 168.3 | 86.9 | 128.3 | -81.5 | -10.6 | 0 | 0 | 0 | 110.8 | | |
| 478 | V | 45.8 | Very low | 43.6 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | | | trans | -78.9 | 127.6 | 139.4 | 176 | 0 | 0 | 0 | 0 | 105.7 | | |
| 479 | F | 40.5 | Very low | 43.7 | Very low | 184 Ų | 184 | 142.2 Ų | 142.2 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | | | trans | 168.9 | 119.2 | 135.7 | -95.8 | -73.4 | 0 | 0 | 0 | 112.6 | | |
| 480 | Y | 42.4 | Very low | 44.8 | Very low | 209 Ų | 209 | 147.2 Ų | 147.2 | 82% | 0.82 | 81% | 0.806 | S | S | * | * | | | trans | 36.4 | 122.2 | 138.5 | -100.6 | -95.4 | 0 | 0 | 0 | 121.9 | | |
| 481 | K | 40.9 | Very low | 45.1 | Very low | 194 Ų | 194 | 151.8 Ų | 151.8 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | | | | 148.5 | 138.7 | 111.5 | -101.4 | -160.6 | 172.9 | -141.6 | 0 | 111.2 | | |
| 482 | G | 44.3 | Very low | 45.6 | Very low | 76 Ų | 76 | 153.7 Ų | 153.7 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | | | trans | 173 | 46.3 | 166 | 0 | 0 | 0 | 0 | 0 | 115.3 | S484 | G482-S484 PolarHBondContact O-N 3.15Š|
| 483 | T | 45.5 | Very low | 44.9 | Very low | 121 Ų | 121 | 155.8 Ų | 155.8 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | | | trans | -68.2 | 115.2 | 162.3 | 48.6 | 0 | 0 | 0 | 0 | 108.7 | V485 | T483-V485 PolarHBondContact O-N 3.46Š|
| 484 | S | 40.5 | Very low | 45.4 | Very low | 123 Ų | 123 | 155.2 Ų | 155.2 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | | | trans | -75.6 | 113.6 | 171.5 | 54.9 | 0 | 0 | 0 | 0 | 109.9 | G482 | G482-S484 PolarHBondContact O-N 3.15Š|
| 485 | V | 48.6 | Very low | 45.9 | Very low | 128 Ų | 128 | 157.2 Ų | 157.2 | 78% | 0.776 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 126.6 | 171.8 | -140.2 | 0 | 0 | 0 | 0 | 107.5 | T483 | T483-V485 PolarHBondContact O-N 3.46Š|
| 486 | T | 47.3 | Very low | 45.8 | Very low | 129 Ų | 129 | 161 Ų | 161 | 79% | 0.791 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 130.7 | 168.7 | 31.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 487 | P | 56.9 | Low | 45.7 | Very low | 120 Ų | 120 | 157.7 Ų | 157.7 | 78% | 0.779 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 123.4 | 173.8 | 29.3 | -29.3 | 0 | 0 | 0 | 111 | | |
| 488 | T | 46.5 | Very low | 46 | Very low | 135 Ų | 135 | 157.7 Ų | 157.7 | 83% | 0.828 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 125.4 | 162.5 | 43.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 489 | F | 47.8 | Very low | 46 | Very low | 214 Ų | 214 | 160.3 Ų | 160.3 | 94% | 0.939 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 137 | 157.7 | -103.1 | -95.7 | 0 | 0 | 0 | 108.8 | | |
| 490 | K | 56.4 | Low | 46.5 | Very low | 192 Ų | 192 | 158.3 Ų | 158.3 | 84% | 0.835 | 85% | 0.851 | S | S | * | * | | | trans | -113.5 | 135.6 | 178.6 | -161.2 | -174.3 | -177 | -167.3 | 0 | 108.3 | | |
| 491 | E | 40.4 | Very low | 46.8 | Very low | 259 Ų | 259 | 153.7 Ų | 153.7 | 100% | 1.21 | 85% | 0.853 | S | S | * | * | | | trans | 74.7 | 0 | 166.9 | -150.5 | 159.7 | -165.1 | 0 | 0 | 118.2 | | |