| 1 | M | 33.2 | Very low | 31 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 66% | 0.66 | 71% | 0.713 | S | S | * | * | | | | 0 | 60.1 | 0 | -53.2 | 71 | 140.3 | 0 | 0 | 110.8 | G960 I961 A962 | M1-G960 CarbonylContact O-C 2.84Å; M1-I961 CarbonylContact C-O 3.59Å; M1-I961 VanDerWaalsContact CA-O 3.28Å; M1-I961 WeakPolarHBondContact CA-O 3.4Å; M1-I961 HydrophobicContact CB-CB 4.08Å; M1-I961 HydrophobicContact CB-CD1 4.06Å; M1-I961 HydrophobicContact CE-CD1 4.17Å; M1-I961 HydrophobicContact CG-CB 4.44Å; M1-I961 HydrophobicContact CG-CD1 4.19Å; M1-I961 PolarHBondContact N-O 3.21Å; M1-I961 PolarHBondContact O-N 3.37Å; M1-I961 VanDerWaalsContact O-O 3.06Å; M1-I961 HydrophobicContact SD-CB 3.75Å; M1-I961 HydrophobicContact SD-CD1 4.13Å; M1-I961 HydrophobicContact SD-CG1 4.26Å; M1-I961 HydrophobicContact SD-CG2 4.08Å; M1-A962 PolarHBondContact N-O 3.43Å |
| 2 | H | 28.5 | Very low | 31.3 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 50% | 0.5 | 71% | 0.708 | S | S | . | * | | | cis | 32.8 | 86.3 | 5.7 | -95.7 | -89.5 | 0 | 0 | 0 | 113.5 | I961 N963 | H2-I961 PolarHBondContact N-O 2.77Å; H2-I961 VanDerWaalsContact N-O 3.1Å; H2-N963 HydrophobicContact CB-CB 3.79Å; H2-N963 PolarHBondContact CD2-N 3.48Å; H2-N963 VanDerWaalsContact CD2-N 3.33Å; H2-N963 PolarHBondContact CE1-O 3.28Å; H2-N963 VanDerWaalsContact CE1-O 3.23Å; H2-N963 PolarHBondContact ND1-O 3.29Å |
| 3 | T | 26.3 | Very low | 31.5 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 84% | 0.84 | 71% | 0.712 | S | S | * | * | | | trans | -142.3 | 88 | 142.4 | 34.1 | 0 | 0 | 0 | 0 | 105.3 | | |
| 4 | S | 34.3 | Very low | 31.7 | Very low | 93 Ų | 93 | 135 Ų | 135 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | | | trans | -67.5 | 144.3 | 158.6 | 43.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 5 | S | 30.9 | Very low | 31.8 | Very low | 110 Ų | 110 | 132.9 Ų | 132.9 | 77% | 0.769 | 70% | 0.704 | S | S | * | * | | | trans | -151.2 | 94.5 | 152.8 | 53.8 | 0 | 0 | 0 | 0 | 104.6 | | |
| 6 | E | 32.9 | Very low | 31.9 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 78% | 0.78 | 71% | 0.708 | S | S | * | * | | | | 67.3 | 147.9 | 73.9 | -68.3 | -165 | 147.1 | 0 | 0 | 113.8 | | |
| 7 | Q | 36.1 | Very low | 31.8 | Very low | 171 Ų | 171 | 130.6 Ų | 130.6 | 80% | 0.799 | 70% | 0.7 | S | S | * | * | | | trans | 112.3 | 125.1 | 164.8 | -60.1 | -163.3 | 8.9 | 0 | 0 | 115.5 | | |
| 8 | N | 30.2 | Very low | 32 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 60% | 0.599 | 71% | 0.705 | S | S | * | * | | | cis | -169 | 149.4 | -15.1 | -121.6 | -9.6 | 0 | 0 | 0 | 112 | | |
| 9 | I | 29.4 | Very low | 32.1 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 63% | 0.626 | 70% | 0.704 | S | S | * | * | | | trans | 68.9 | 154.4 | 140.3 | -68.5 | 170.2 | 0 | 0 | 0 | 116.3 | | |
| 10 | Y | 30.3 | Very low | 32.1 | Very low | 214 Ų | 214 | 131.5 Ų | 131.5 | 84% | 0.839 | 70% | 0.7 | S | S | * | * | | | cis | -124.9 | -166.9 | 9.7 | -127 | -52.2 | 0 | 0 | 0 | 113.2 | | |
| 11 | I | 29.5 | Very low | 32.3 | Very low | 151 Ų | 151 | 133 Ų | 133 | 77% | 0.774 | 70% | 0.704 | S | S | * | * | | | trans | -141.1 | 148.1 | -157.8 | -61.9 | 164 | 0 | 0 | 0 | 110.4 | | |
| 12 | G | 33.8 | Very low | 32.1 | Very low | 64 Ų | 64 | 129.9 Ų | 129.9 | 66% | 0.66 | 70% | 0.699 | S | S | * | * | | | trans | 173.8 | 111.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 13 | E | 33.6 | Very low | 32.2 | Very low | 163 Ų | 163 | 131 Ų | 131 | 76% | 0.762 | 71% | 0.713 | S | S | * | * | | | | 73.2 | 133.7 | 66.8 | -71.3 | -143.2 | 117.7 | 0 | 0 | 113.9 | | |
| 14 | Q | 34.3 | Very low | 32.3 | Very low | 144 Ų | 144 | 129.2 Ų | 129.2 | 67% | 0.673 | 71% | 0.706 | S | S | * | * | | | cis | -169.1 | -165.4 | -9.2 | -160 | -161.6 | 92.2 | 0 | 0 | 108.2 | | |
| 15 | V | 34.3 | Very low | 32 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 62% | 0.624 | 71% | 0.711 | S | S | * | * | | | trans | 88.2 | 97.7 | 154.7 | -170.7 | 0 | 0 | 0 | 0 | 120.6 | | |
| 16 | N | 32.4 | Very low | 32 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 77% | 0.77 | 71% | 0.709 | S | S | * | * | | | | 59 | 160.8 | 124.3 | -60.2 | -4.2 | 0 | 0 | 0 | 122.8 | | |
| 17 | S | 31.5 | Very low | 32 | Very low | 83 Ų | 83 | 139 Ų | 139 | 58% | 0.58 | 71% | 0.711 | S | S | * | * | | | cis | -172.6 | -165.4 | -23.2 | 59.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 18 | F | 34.6 | Very low | 31.6 | Very low | 180 Ų | 180 | 138.5 Ų | 138.5 | 79% | 0.789 | 71% | 0.713 | S | S | * | * | | | trans | 74.9 | 122.6 | -177.6 | -60.8 | -85 | 0 | 0 | 0 | 113.7 | | |
| 19 | T | 34.2 | Very low | 31.5 | Very low | 111 Ų | 111 | 144.4 Ų | 144.4 | 68% | 0.681 | 73% | 0.727 | S | S | * | * | | | cis | 71.1 | 147.9 | 28.6 | 91.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 20 | D | 32.8 | Very low | 31.8 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 63% | 0.631 | 74% | 0.735 | S | S | * | * | | | cis | -155.7 | 165.8 | 12.5 | -148 | -4.9 | 0 | 0 | 0 | 114.5 | | |
| 21 | Q | 34.8 | Very low | 31.8 | Very low | 165 Ų | 165 | 140.9 Ų | 140.9 | 77% | 0.771 | 74% | 0.736 | S | S | * | * | | | trans | 59.3 | 166.7 | 152.1 | -76.9 | 165.5 | 60.8 | 0 | 0 | 121.2 | | |
| 22 | A | 30.3 | Very low | 31.8 | Very low | 67 Ų | 67 | 140.2 Ų | 140.2 | 55% | 0.554 | 73% | 0.733 | S | S | * | * | | | cis | -178.8 | 164 | -46.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 23 | T | 30.2 | Very low | 31.6 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | | | trans | 69.3 | 153.6 | 162.2 | 76.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 24 | S | 27.4 | Very low | 31.9 | Very low | 99 Ų | 99 | 142.6 Ų | 142.6 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | | | cis | -170.9 | 173.5 | -26.8 | -91.7 | 0 | 0 | 0 | 0 | 109 | | |
| 25 | R | 29.2 | Very low | 31.5 | Very low | 200 Ų | 200 | 143 Ų | 143 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | | | trans | 92.9 | 111.3 | 151.6 | -53.1 | -171.8 | 177.8 | 177.8 | -0.2 | 117.7 | | |
| 26 | R | 29.6 | Very low | 31.3 | Very low | 192 Ų | 192 | 145 Ų | 145 | 73% | 0.725 | 75% | 0.745 | S | S | * | * | | | | 71.5 | 140.6 | 129.9 | -62.1 | 170.7 | -170.8 | -178.4 | -1.1 | 117 | | |
| 27 | F | 32.9 | Very low | 31.1 | Very low | 184 Ų | 184 | 146.8 Ų | 146.8 | 81% | 0.807 | 74% | 0.742 | S | S | * | * | | | cis | -134.3 | 139.1 | 1.8 | -96.9 | -75.4 | 0 | 0 | 0 | 110.4 | | |
| 28 | N | 27.8 | Very low | 31 | Very low | 160 Ų | 160 | 148.2 Ų | 148.2 | 86% | 0.856 | 74% | 0.743 | S | S | * | * | | | trans | -97.6 | 128.9 | 162.8 | -97.6 | -16.1 | 0 | 0 | 0 | 109.6 | | |
| 29 | R | 29.9 | Very low | 30.7 | Very low | 237 Ų | 237 | 144 Ų | 144 | 89% | 0.894 | 74% | 0.736 | S | S | * | * | | | trans | -173.4 | 138.2 | 133.9 | -106.6 | 174.2 | -171.9 | -156.6 | 0.4 | 111.7 | | |
| 30 | P | 33.8 | Very low | 30.4 | Very low | 121 Ų | 121 | 145.5 Ų | 145.5 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | | | trans | -86.6 | 164.7 | 168.2 | 37.2 | -34.8 | 0 | 0 | 0 | 111.3 | | |
| 31 | V | 30.7 | Very low | 30.2 | Very low | 141 Ų | 141 | 145.1 Ų | 145.1 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | | | trans | -145.3 | 136.7 | 163.5 | -163.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 32 | D | 29.2 | Very low | 29.9 | Very low | 136 Ų | 136 | 141.6 Ų | 141.6 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | | | trans | -62.7 | 176.4 | 166.6 | -57.5 | -90.3 | 0 | 0 | 0 | 111 | | |
| 33 | Q | 29.2 | Very low | 29.8 | Very low | 171 Ų | 171 | 148.8 Ų | 148.8 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | | | cis | -168.2 | 158.9 | 35.4 | -151.2 | 149.3 | 66.1 | 0 | 0 | 109.8 | | |
| 34 | P | 40.1 | Very low | 29.6 | Very low | 106 Ų | 106 | 147.2 Ų | 147.2 | 69% | 0.688 | 74% | 0.738 | S | S | * | * | | | trans | -91.2 | -159.3 | -179.5 | 38.7 | -36.5 | 0 | 0 | 0 | 112 | | |
| 35 | L | 27.4 | Very low | 29.7 | Very low | 153 Ų | 153 | 150.3 Ų | 150.3 | 80% | 0.801 | 74% | 0.744 | S | S | * | * | | | trans | 89.1 | 149.3 | 176.7 | -55.3 | 177 | 0 | 0 | 0 | 115.6 | | |
| 36 | H | 29.5 | Very low | 29.6 | Very low | 145 Ų | 145 | 146.4 Ų | 146.4 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | | | cis | -172.6 | 171.2 | -37.1 | -141.9 | -9.1 | 0 | 0 | 0 | 107.5 | | |
| 37 | Y | 27.2 | Very low | 29.4 | Very low | 182 Ų | 182 | 144.8 Ų | 144.8 | 71% | 0.714 | 74% | 0.736 | S | S | * | * | | | trans | 65.4 | 152.4 | 155.6 | -90.2 | -128.3 | 0 | 0 | 0 | 117.4 | | |
| 38 | N | 29.3 | Very low | 29.1 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 60% | 0.604 | 73% | 0.729 | S | S | * | * | | | cis | -164.2 | 163.3 | -27.3 | -150.9 | -0.2 | 0 | 0 | 0 | 110.2 | | |
| 39 | S | 30.2 | Very low | 29.1 | Very low | 91 Ų | 91 | 143.7 Ų | 143.7 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | | | trans | 64.3 | 167.4 | 153 | 77.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 40 | L | 27.8 | Very low | 28.9 | Very low | 142 Ų | 142 | 139.1 Ų | 139.1 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | | | | -146.1 | 145.1 | 51.8 | -85.6 | 167 | 0 | 0 | 0 | 112.7 | | |
| 41 | T | 28.4 | Very low | 28.6 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 68% | 0.681 | 71% | 0.714 | S | S | * | * | | | trans | 17.1 | 131 | 142.8 | 65.2 | 0 | 0 | 0 | 0 | 117.9 | | |
| 42 | S | 27.9 | Very low | 28.4 | Very low | 90 Ų | 90 | 137.3 Ų | 137.3 | 63% | 0.629 | 70% | 0.7 | S | S | * | * | | | | 177.4 | 155.6 | 83.8 | -83.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 43 | R | 28.3 | Very low | 28.5 | Very low | 218 Ų | 218 | 139.4 Ų | 139.4 | 82% | 0.823 | 71% | 0.705 | S | S | * | * | | | cis | -156.8 | 174.1 | -4.2 | -123.1 | 166.7 | -178 | 170.6 | 0.3 | 109.5 | | |
| 44 | T | 26.8 | Very low | 28.5 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 61% | 0.613 | 70% | 0.699 | S | S | * | * | | | trans | -27 | 148 | 146.7 | 58.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 45 | M | 28.2 | Very low | 28 | Very low | 164 Ų | 164 | 136.9 Ų | 136.9 | 81% | 0.808 | 71% | 0.705 | S | S | * | * | | | cis | -147 | 140.9 | 46.4 | -66 | 179 | -176.7 | 0 | 0 | 109.8 | | |
| 46 | N | 27.5 | Very low | 28.2 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 63% | 0.631 | 70% | 0.699 | S | S | * | * | | | | 62.9 | 105.6 | 52 | -171.8 | 19.4 | 0 | 0 | 0 | 112.1 | | |
| 47 | F | 26 | Very low | 28.6 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 69% | 0.689 | 70% | 0.701 | S | S | * | * | | | | 171.6 | 117.4 | 120.7 | -109.8 | -88.9 | 0 | 0 | 0 | 111.5 | | |
| 48 | N | 26.1 | Very low | 29 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 65% | 0.652 | 71% | 0.706 | S | S | * | * | | | trans | 64.4 | 164.9 | 143.5 | -84.1 | -2.7 | 0 | 0 | 0 | 118.2 | | |
| 49 | R | 26.6 | Very low | 29.3 | Very low | 200 Ų | 200 | 131.7 Ų | 131.7 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | | | cis | -156.9 | 176.8 | 7.5 | -135.5 | 167.7 | -173.9 | 178.6 | 0.1 | 109 | | |
| 50 | I | 26.6 | Very low | 29.5 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 72% | 0.718 | 72% | 0.719 | S | S | * | * | | | trans | 60 | 124.7 | 149.7 | -69 | 160.3 | 0 | 0 | 0 | 115.1 | | |
| 51 | L | 26.8 | Very low | 29.6 | Very low | 143 Ų | 143 | 128.7 Ų | 128.7 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | | | cis | 164.7 | 152.7 | -8.4 | -118 | 171.2 | 0 | 0 | 0 | 103 | | |
| 52 | S | 27.2 | Very low | 29.6 | Very low | 81 Ų | 81 | 129.8 Ų | 129.8 | 57% | 0.566 | 72% | 0.717 | S | S | * | * | | | trans | 69.9 | 141.9 | 144.1 | 74.8 | 0 | 0 | 0 | 0 | 121.4 | | |
| 53 | H | 31 | Very low | 29.7 | Very low | 180 Ų | 180 | 136.7 Ų | 136.7 | 83% | 0.833 | 73% | 0.729 | S | S | * | * | | | trans | 63.9 | 129.6 | 163.3 | -47 | -61.1 | 0 | 0 | 0 | 117.7 | | |
| 54 | G | 29.2 | Very low | 29.6 | Very low | 65 Ų | 65 | 131.9 Ų | 131.9 | 67% | 0.67 | 72% | 0.716 | S | S | * | * | | | cis | 128 | 168.2 | -3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 55 | I | 30.4 | Very low | 29.8 | Very low | 160 Ų | 160 | 133.3 Ų | 133.3 | 82% | 0.821 | 73% | 0.727 | S | S | * | * | | | trans | 72.1 | 139.3 | 175.2 | -48.1 | 166.4 | 0 | 0 | 0 | 113.3 | | |
| 56 | S | 30.2 | Very low | 29.6 | Very low | 96 Ų | 96 | 129.3 Ų | 129.3 | 67% | 0.671 | 71% | 0.712 | S | S | * | * | | | cis | -159.1 | 169.1 | -34.5 | 63.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 57 | M | 38.8 | Very low | 29.5 | Very low | 145 Ų | 145 | 130 Ų | 130 | 71% | 0.714 | 72% | 0.716 | S | S | * | * | | | trans | -76.1 | -177.1 | 158 | -54.3 | -174.3 | 89.4 | 0 | 0 | 109.8 | V59 | M57-V59 HydrophobicContact CB-CG2 4.23Å; M57-V59 HydrophobicContact CE-CG2 4.33Å; M57-V59 HydrophobicContact SD-CG2 3.65Å |
| 58 | P | 34.8 | Very low | 29.5 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 81% | 0.812 | 72% | 0.718 | S | S | * | * | | | | -113.1 | 130.6 | 114.1 | 31 | -33.8 | 0 | 0 | 0 | 112.2 | | |
| 59 | V | 36.2 | Very low | 29.5 | Very low | 118 Ų | 118 | 135 Ų | 135 | 72% | 0.715 | 73% | 0.726 | S | S | * | * | | | trans | -96.3 | 128.8 | 161.9 | 173.8 | 0 | 0 | 0 | 0 | 107.4 | M57 | M57-V59 HydrophobicContact CB-CG2 4.23Å; M57-V59 HydrophobicContact CE-CG2 4.33Å; M57-V59 HydrophobicContact SD-CG2 3.65Å |
| 60 | S | 34.2 | Very low | 29.6 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | | | trans | -157.3 | 136.2 | 170.7 | -60.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 61 | G | 31.3 | Very low | 29.9 | Very low | 54 Ų | 54 | 131.2 Ų | 131.2 | 56% | 0.557 | 73% | 0.725 | S | S | * | * | | | cis | -175.7 | 109.8 | -6.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | W63 | G61-W63 PolarHBondContact O-N 3.36Š|
| 62 | T | 28 | Very low | 29.9 | Very low | 134 Ų | 134 | 127.7 Ų | 127.7 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | | | trans | 25.1 | 84.8 | 134.3 | 56.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 63 | W | 29.1 | Very low | 29.9 | Very low | 235 Ų | 235 | 132.7 Ų | 132.7 | 89% | 0.89 | 71% | 0.714 | S | S | * | * | | | trans | -155.4 | 149.5 | 147.8 | -68.8 | 97.3 | 0 | 0 | 0 | 109.7 | G61 | G61-W63 PolarHBondContact O-N 3.36Š|
| 64 | H | 27.8 | Very low | 29.9 | Very low | 117 Ų | 117 | 131 Ų | 131 | 54% | 0.542 | 71% | 0.711 | S | S | . | * | | | cis | -159.8 | 133.2 | -39.5 | -155 | -92.8 | 0 | 0 | 0 | 107.5 | T66 | H64-T66 VanDerWaalsContact C-N 3.25Å; H64-T66 VanDerWaalsContact ND1-CG2 3.28Å; H64-T66 WeakPolarHBondContact ND1-CG2 3.35Å; H64-T66 PolarHBondContact ND1-OG1 3.43Å; H64-T66 PolarHBondContact O-N 3.43Å |
| 65 | P | 29 | Very low | 29.9 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 84% | 0.844 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -85.9 | 60.9 | -177.3 | 35.7 | -36 | 0 | 0 | 0 | 111.5 | | |
| 66 | T | 25.7 | Very low | 30.2 | Very low | 80 Ų | 80 | 135.2 Ų | 135.2 | 49% | 0.491 | 72% | 0.718 | S | S | . | * | | | trans | -144.2 | 157.1 | -176.9 | 51.2 | 0 | 0 | 0 | 0 | 113 | H64 | H64-T66 VanDerWaalsContact C-N 3.25Å; H64-T66 VanDerWaalsContact ND1-CG2 3.28Å; H64-T66 WeakPolarHBondContact ND1-CG2 3.35Å; H64-T66 PolarHBondContact ND1-OG1 3.43Å; H64-T66 PolarHBondContact O-N 3.43Å |
| 67 | D | 25.6 | Very low | 30.2 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | | | trans | 66.5 | 126.3 | 157.1 | -61.4 | -1.8 | 0 | 0 | 0 | 118.8 | | |
| 68 | F | 24.6 | Very low | 30.1 | Very low | 166 Ų | 166 | 136.9 Ų | 136.9 | 73% | 0.728 | 72% | 0.722 | S | S | * | * | | | cis | -175.8 | 170.5 | -22.8 | -136 | -103.6 | 0 | 0 | 0 | 103.1 | | |
| 69 | R | 26.8 | Very low | 30 | Very low | 218 Ų | 218 | 135.7 Ų | 135.7 | 82% | 0.823 | 71% | 0.713 | S | S | * | * | | | trans | 70.8 | 105.7 | 173.6 | -57.2 | 168.5 | -165.7 | -116.7 | -1.1 | 112.3 | | |
| 70 | Q | 28.6 | Very low | 29.6 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 60% | 0.603 | 72% | 0.716 | S | S | * | * | | | cis | 49.2 | 98.1 | 40.2 | -91.7 | -178.8 | -49.6 | 0 | 0 | 109.5 | D72 | Q70-D72 HydrophobicContact CB-CB 3.75Å; Q70-D72 HydrophobicContact CG-CB 3.66Å; Q70-D72 PolarHBondContact NE2-OD1 3.12Å; Q70-D72 PolarHBondContact NE2-OD2 2.99Å |
| 71 | P | 33.1 | Very low | 29.5 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 84% | 0.844 | 72% | 0.718 | S | S | * | * | | | | -93.6 | 118.8 | 75.2 | 27.7 | -35 | 0 | 0 | 0 | 111.5 | | |
| 72 | D | 26.5 | Very low | 29.3 | Very low | 69 Ų | 69 | 146.5 Ų | 146.5 | 37% | 0.369 | 73% | 0.728 | S | S | . | * | | | cis | 67.3 | 134.8 | 26.7 | -134 | 21.5 | 0 | 0 | 0 | 114.2 | Q70 | Q70-D72 HydrophobicContact CB-CB 3.75Å; Q70-D72 HydrophobicContact CG-CB 3.66Å; Q70-D72 PolarHBondContact NE2-OD1 3.12Å; Q70-D72 PolarHBondContact NE2-OD2 2.99Å |
| 73 | Y | 27.6 | Very low | 29.3 | Very low | 186 Ų | 186 | 148.5 Ų | 148.5 | 73% | 0.729 | 72% | 0.72 | S | S | * | * | | | trans | 65.8 | 137.8 | -179.3 | -45.2 | -68.4 | 0 | 0 | 0 | 114.8 | | |
| 74 | L | 31.7 | Very low | 29.2 | Very low | 146 Ų | 146 | 146.1 Ų | 146.1 | 76% | 0.764 | 71% | 0.711 | S | S | * | * | | | cis | -125.1 | 129.1 | 3 | -72.1 | 169.5 | 0 | 0 | 0 | 109.2 | | |
| 75 | L | 29 | Very low | 29.3 | Very low | 145 Ų | 145 | 146.6 Ų | 146.6 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | | | | 48.5 | 95.9 | 90 | -77.9 | 172.6 | 0 | 0 | 0 | 114.4 | | |
| 76 | L | 35.4 | Very low | 29.4 | Very low | 168 Ų | 168 | 145 Ų | 145 | 88% | 0.88 | 71% | 0.714 | S | S | * | * | | | trans | -168.6 | 90.8 | 130.9 | -103.5 | 158.5 | 0 | 0 | 0 | 111.3 | | |
| 77 | Q | 30.2 | Very low | 30 | Very low | 169 Ų | 169 | 146.8 Ų | 146.8 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | | | trans | -66.9 | 155.2 | 149.6 | -61.5 | -175.2 | 0.3 | 0 | 0 | 108.1 | | |
| 78 | P | 36.7 | Very low | 30.6 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 69% | 0.688 | 73% | 0.727 | S | S | * | * | | | | -149 | 114.7 | 102.6 | 33.8 | -15.5 | 0 | 0 | 0 | 116.6 | | |
| 79 | T | 32.4 | Very low | 31 | Very low | 101 Ų | 101 | 140.9 Ų | 140.9 | 62% | 0.62 | 73% | 0.729 | S | S | * | * | | | | 64.9 | 138.5 | 129.6 | 68 | 0 | 0 | 0 | 0 | 122.3 | | |
| 80 | P | 27.8 | Very low | 31.4 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | | | trans | -82.8 | 143.9 | 162 | 34.4 | -33.4 | 0 | 0 | 0 | 112.7 | | |
| 81 | K | 33.1 | Very low | 31.8 | Very low | 194 Ų | 194 | 133.6 Ų | 133.6 | 84% | 0.843 | 73% | 0.729 | S | S | * | * | | | trans | -127.1 | 98 | 164.6 | -69.5 | 178.2 | -177.6 | 172.3 | 0 | 107.3 | | |
| 82 | R | 26.7 | Very low | 31.6 | Very low | 200 Ų | 200 | 135.1 Ų | 135.1 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | | | | 71.9 | 121.7 | 55.9 | -144.9 | -160.9 | -167 | -163.6 | 6.5 | 112.1 | | |
| 83 | R | 27.3 | Very low | 31.6 | Very low | 176 Ų | 176 | 136.5 Ų | 136.5 | 66% | 0.664 | 74% | 0.744 | S | S | * | * | | | trans | 75.9 | 148.6 | 166.8 | -65.7 | -178.5 | 170.3 | -179.5 | -4.3 | 115.6 | | |
| 84 | R | 28.3 | Very low | 31.6 | Very low | 185 Ų | 185 | 136 Ų | 136 | 70% | 0.698 | 74% | 0.741 | S | S | * | * | | | cis | -160.8 | 157.1 | 3.1 | -131 | 172 | -178.1 | 172.1 | -5.9 | 111.1 | | |
| 85 | T | 29.2 | Very low | 31.4 | Very low | 127 Ų | 127 | 137 Ų | 137 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | | | trans | 60.1 | 146 | 154.3 | 41.7 | 0 | 0 | 0 | 0 | 118.5 | | |
| 86 | S | 31.3 | Very low | 31.1 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 67% | 0.671 | 74% | 0.735 | S | S | * | * | | | cis | -163.1 | 167.6 | -3 | 37.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 87 | S | 37.1 | Very low | 30.6 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 83% | 0.825 | 72% | 0.719 | S | S | * | * | | | trans | 50.3 | 113.7 | 157.1 | 53.7 | 0 | 0 | 0 | 0 | 118.1 | | |
| 88 | G | 39.5 | Very low | 30.4 | Very low | 63 Ų | 63 | 133.3 Ų | 133.3 | 65% | 0.649 | 72% | 0.719 | S | S | * | * | | | cis | -161.4 | 159.8 | 5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 89 | S | 32.6 | Very low | 29.9 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 78% | 0.783 | 70% | 0.704 | S | S | * | * | | | | 51.2 | 115.2 | 96.1 | 67.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 90 | T | 36.2 | Very low | 29.6 | Very low | 140 Ų | 140 | 130 Ų | 130 | 86% | 0.859 | 70% | 0.702 | S | S | * | * | | | cis | -151.6 | 151.6 | 9.4 | -11.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 91 | G | 35.5 | Very low | 29.6 | Very low | 55 Ų | 55 | 131.5 Ų | 131.5 | 57% | 0.567 | 69% | 0.692 | S | S | * | * | | | | 104.4 | 92.2 | 80.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 92 | L | 30.1 | Very low | 29.3 | Very low | 162 Ų | 162 | 126.5 Ų | 126.5 | 85% | 0.848 | 68% | 0.675 | S | S | * | * | | | | 55.9 | 105.3 | 93 | -64.7 | 171.9 | 0 | 0 | 0 | 111 | | |
| 93 | S | 26.9 | Very low | 29.3 | Very low | 97 Ų | 97 | 119.8 Ų | 119.8 | 68% | 0.678 | 67% | 0.668 | S | S | * | * | | | | 67.5 | 141.4 | 58.6 | -164.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 94 | R | 26.5 | Very low | 29.4 | Very low | 175 Ų | 175 | 119.6 Ų | 119.6 | 66% | 0.66 | 68% | 0.675 | S | S | * | * | | | trans | 69.3 | 125.2 | 165.7 | -70.7 | 171.7 | 176.2 | -166.1 | -0.2 | 118.1 | | |
| 95 | R | 27.3 | Very low | 29.2 | Very low | 167 Ų | 167 | 119 Ų | 119 | 63% | 0.63 | 68% | 0.677 | S | S | * | * | | | trans | 71.6 | 168.6 | 137.6 | -62.2 | 168.2 | -165.5 | 179.6 | -2.1 | 111.4 | | |
| 96 | Y | 24.1 | Very low | 29.2 | Very low | 198 Ų | 198 | 117.9 Ų | 117.9 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | | | cis | -109.2 | 142.2 | 12 | -81.6 | -113 | 0 | 0 | 0 | 110.2 | | |
| 97 | C | 23.9 | Very low | 29.1 | Very low | 80 Ų | 80 | 116.5 Ų | 116.5 | 54% | 0.541 | 68% | 0.675 | S | S | . | * | | | | 63.9 | 149.7 | 60.3 | -57.1 | 0 | 0 | 0 | 0 | 112 | | |
| 98 | T | 25.4 | Very low | 28.9 | Very low | 128 Ų | 128 | 118.8 Ų | 118.8 | 79% | 0.785 | 68% | 0.678 | S | S | * | * | | | trans | 67.3 | 137.5 | -173.4 | 74.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 99 | S | 26.1 | Very low | 28.4 | Very low | 53 Ų | 53 | 122.6 Ų | 122.6 | 37% | 0.371 | 68% | 0.683 | S | S | . | * | | | cis | -160.9 | 152.8 | -16.2 | -101.6 | 0 | 0 | 0 | 0 | 110.9 | P1136 V1137 N1138 | S99-P1136 VanDerWaalsContact CB-C 3.49Å; S99-P1136 WeakPolarHBondContact CB-O 3.48Å; S99-V1137 CarbonylContact C-O 3.55Å; S99-V1137 WeakPolarHBondContact CA-O 3.4Å; S99-V1137 WeakPolarHBondContact CB-O 3.42Å; S99-V1137 PolarHBondContact N-O 2.89Å; S99-V1137 CarbonylContact O-C 3.5Å; S99-V1137 PolarHBondContact O-N 2.99Å; S99-N1138 PolarHBondContact O-N 2.7Å |
| 100 | S | 26.8 | Very low | 28.3 | Very low | 83 Ų | 83 | 122.7 Ų | 122.7 | 58% | 0.58 | 68% | 0.681 | S | S | * | * | | | trans | -73 | -169.2 | -175 | -58.4 | 0 | 0 | 0 | 0 | 114.1 | N1135 P1136 V1137 | S100-N1135 VanDerWaalsContact C-CB 3.49Å; S100-N1135 CarbonylContact O-C 3.56Å; S100-N1135 VanDerWaalsContact O-O 3.12Å; S100-P1136 CarbonylContact O-C 3.59Å; S100-P1136 WeakPolarHBondContact O-CA 3.26Å; S100-P1136 VanDerWaalsContact O-N 3.12Å; S100-V1137 PolarHBondContact O-N 3.32Å; S100-V1137 VanDerWaalsContact O-N 3.08Å |
| 101 | R | 27.2 | Very low | 27.9 | Very low | 153 Ų | 153 | 120.7 Ų | 120.7 | 58% | 0.577 | 67% | 0.668 | S | S | * | * | | | trans | -123.4 | 172.9 | 170.4 | -147.6 | 64.9 | -87.1 | -115.6 | -0.5 | 112.8 | N1135 | R101-N1135 VanDerWaalsContact CZ-O 3.27Å; R101-N1135 PolarHBondContact NE-O 3.36Å; R101-N1135 PolarHBondContact NH2-O 3.46Å; R101-N1135 VanDerWaalsContact O-CB 3.25Å; R101-N1135 WeakPolarHBondContact O-CB 3.42Å; R101-N1135 PolarHBondContact O-ND2 3.49Å |
| 102 | N | 27.2 | Very low | 27.6 | Very low | 88 Ų | 88 | 125.9 Ų | 125.9 | 47% | 0.471 | 68% | 0.677 | S | S | . | * | | | trans | -104.5 | 167 | -172.3 | -92.9 | 18.2 | 0 | 0 | 0 | 112 | N1135 | N102-N1135 PolarHBondContact OD1-N 3.05Š|
| 103 | G | 27.7 | Very low | 27.6 | Very low | 60 Ų | 60 | 123.6 Ų | 123.6 | 62% | 0.619 | 68% | 0.675 | S | S | * | * | | | trans | 110.3 | 128.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 104 | H | 27.7 | Very low | 28 | Very low | 172 Ų | 172 | 121.9 Ų | 121.9 | 80% | 0.796 | 66% | 0.663 | S | S | * | * | | | | 77.8 | 133.9 | 54.6 | -65.2 | 5.7 | 0 | 0 | 0 | 112.1 | | |
| 105 | F | 26.1 | Very low | 28.4 | Very low | 173 Ų | 173 | 123.4 Ų | 123.4 | 76% | 0.759 | 67% | 0.669 | S | S | * | * | | | cis | -156.2 | 141 | -2 | -132.9 | -147.6 | 0 | 0 | 0 | 109.9 | | |
| 106 | S | 29.2 | Very low | 28.7 | Very low | 103 Ų | 103 | 122.7 Ų | 122.7 | 72% | 0.72 | 68% | 0.678 | S | S | * | * | | | trans | 70.2 | 144 | 139 | -55.1 | 0 | 0 | 0 | 0 | 122.8 | | |
| 107 | G | 29.2 | Very low | 29.2 | Very low | 66 Ų | 66 | 119 Ų | 119 | 68% | 0.68 | 67% | 0.67 | S | S | * | * | | | trans | 87.9 | 128.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 108 | D | 31.9 | Very low | 29.5 | Very low | 167 Ų | 167 | 120.3 Ų | 120.3 | 89% | 0.893 | 68% | 0.681 | S | S | * | * | | | cis | -153.9 | 162.9 | -14.8 | -110.1 | -44.5 | 0 | 0 | 0 | 112.1 | | |
| 109 | L | 29.4 | Very low | 29.7 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 74% | 0.743 | 69% | 0.686 | S | S | * | * | | | trans | -84.4 | 175.1 | 166.5 | -74.4 | 155.2 | 0 | 0 | 0 | 109.7 | V111 | L109-V111 HydrophobicContact CD2-CB 4.39Å; L109-V111 HydrophobicContact CD2-CG2 3.69Å |
| 110 | P | 30.4 | Very low | 29.8 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 75% | 0.747 | 70% | 0.696 | S | S | * | * | | | cis | -120.9 | 172.5 | 2.4 | 38.9 | -21.9 | 0 | 0 | 0 | 113.1 | | |
| 111 | V | 27.9 | Very low | 29.9 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 59% | 0.588 | 71% | 0.705 | S | S | * | * | | | cis | 83.7 | 133.6 | 28.6 | 170.1 | 0 | 0 | 0 | 0 | 115.5 | L109 | L109-V111 HydrophobicContact CD2-CB 4.39Å; L109-V111 HydrophobicContact CD2-CG2 3.69Å |
| 112 | H | 29.3 | Very low | 30 | Very low | 164 Ų | 164 | 131.6 Ų | 131.6 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | | | trans | 69.3 | 153 | 178.7 | -64.7 | -42.3 | 0 | 0 | 0 | 116 | | |
| 113 | S | 30.4 | Very low | 30.1 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | | | cis | -160.4 | 154.1 | 24.4 | -152.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 114 | S | 33.7 | Very low | 30.1 | Very low | 61 Ų | 61 | 136.2 Ų | 136.2 | 43% | 0.427 | 74% | 0.741 | S | S | . | * | | | cis | -174.8 | 138.1 | -18.3 | -92.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 115 | R | 35.1 | Very low | 30.2 | Very low | 206 Ų | 206 | 135.7 Ų | 135.7 | 78% | 0.777 | 74% | 0.744 | S | S | * | * | | | trans | 71.3 | 158.5 | 151.1 | -56.9 | 156.3 | -162.3 | -171.6 | 2.2 | 118.5 | | |
| 116 | N | 33.6 | Very low | 30.4 | Very low | 153 Ų | 153 | 134 Ų | 134 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | | | cis | -122.7 | 141 | -3.6 | -46.2 | -83.5 | 0 | 0 | 0 | 108.4 | | |
| 117 | L | 34.5 | Very low | 30.3 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 62% | 0.623 | 74% | 0.74 | S | S | * | * | | | cis | 77.5 | 85.9 | -1.8 | -138.8 | -176.5 | 0 | 0 | 0 | 118.9 | M120 | L117-M120 HydrophobicContact CD1-SD 4.36Å; L117-M120 HydrophobicContact CD2-CG 4.12Å; L117-M120 HydrophobicContact CD2-SD 3.98Å; L117-M120 HydrophobicContact CG-SD 4.31Å |
| 118 | S | 31 | Very low | 30.3 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | | | trans | -170.4 | 132.2 | 132.2 | 56 | 0 | 0 | 0 | 0 | 107.9 | | |
| 119 | Y | 30.1 | Very low | 30.1 | Very low | 228 Ų | 228 | 144.1 Ų | 144.1 | 89% | 0.894 | 74% | 0.742 | S | S | * | * | | | cis | -121.9 | 151.5 | 24 | -129 | -104.2 | 0 | 0 | 0 | 112.7 | | |
| 120 | M | 27.8 | Very low | 29.9 | Very low | 117 Ų | 117 | 148.9 Ų | 148.9 | 58% | 0.576 | 75% | 0.75 | S | S | * | * | | | trans | -130.1 | 142.1 | 171.7 | -70.8 | 175.9 | 63.4 | 0 | 0 | 109.5 | L117 M123 | L117-M120 HydrophobicContact CD1-SD 4.36Å; L117-M120 HydrophobicContact CD2-CG 4.12Å; L117-M120 HydrophobicContact CD2-SD 3.98Å; L117-M120 HydrophobicContact CG-SD 4.31Å; M120-M123 HydrophobicContact CE-CE 4.25Å |
| 121 | S | 28 | Very low | 29.9 | Very low | 109 Ų | 109 | 149.4 Ų | 149.4 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | | | | 164.9 | 110.1 | 121.8 | 57.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 122 | E | 31 | Very low | 29.9 | Very low | 199 Ų | 199 | 153 Ų | 153 | 93% | 0.93 | 77% | 0.771 | S | S | * | * | | | | -165.8 | 157 | 101.6 | -100.4 | -171.6 | 139 | 0 | 0 | 109.9 | | |
| 123 | M | 27.4 | Very low | 29.8 | Very low | 162 Ų | 162 | 152.2 Ų | 152.2 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | | | trans | -123.9 | 142.8 | -170.1 | -78.5 | -177.6 | 166.2 | 0 | 0 | 112.7 | M120 | M120-M123 HydrophobicContact CE-CE 4.25Š|
| 124 | A | 28.8 | Very low | 29.7 | Very low | 84 Ų | 84 | 150.3 Ų | 150.3 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | | | trans | 42.9 | 101.9 | 144.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 125 | N | 29.5 | Very low | 29.5 | Very low | 161 Ų | 161 | 157.7 Ų | 157.7 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | | | | -137.6 | 107 | 126.1 | -91.6 | -65.7 | 0 | 0 | 0 | 108.7 | | |
| 126 | H | 29.7 | Very low | 29.3 | Very low | 136 Ų | 136 | 155.5 Ų | 155.5 | 63% | 0.63 | 78% | 0.782 | S | S | * | * | | | | 66.1 | 108.3 | 87.6 | -106.8 | -117 | 0 | 0 | 0 | 115.4 | | |
| 127 | R | 28.1 | Very low | 29.2 | Very low | 205 Ų | 205 | 153.2 Ų | 153.2 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | | | trans | 37.4 | 118.7 | 145.3 | -52.5 | 177.2 | -174.1 | 177.1 | -0.1 | 118 | | |
| 128 | F | 28.8 | Very low | 29 | Very low | 204 Ų | 204 | 155.6 Ų | 155.6 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | | | | -163.9 | 173.3 | 106.5 | -119.4 | -85.4 | 0 | 0 | 0 | 112.8 | | |
| 129 | I | 28.2 | Very low | 29 | Very low | 141 Ų | 141 | 157.5 Ų | 157.5 | 72% | 0.723 | 79% | 0.787 | S | S | * | * | | | trans | -103.4 | 138.7 | -170.6 | -66 | 170.2 | 0 | 0 | 0 | 110.8 | | |
| 130 | R | 24.9 | Very low | 29 | Very low | 242 Ų | 242 | 152.8 Ų | 152.8 | 91% | 0.913 | 78% | 0.782 | S | S | * | * | | | trans | 35.7 | 105.1 | 162.1 | -63.9 | 174 | 178.5 | 175.2 | -1 | 117.9 | | |
| 131 | S | 29.7 | Very low | 29.2 | Very low | 126 Ų | 126 | 156.1 Ų | 156.1 | 88% | 0.881 | 79% | 0.794 | S | S | * | * | | | trans | -148 | 148.3 | 135.8 | 63.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 132 | L | 27.6 | Very low | 29.2 | Very low | 171 Ų | 171 | 159.2 Ų | 159.2 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | | | trans | -73.5 | 151.3 | -178 | -77.1 | 149.3 | 0 | 0 | 0 | 113.9 | | |
| 133 | D | 27.4 | Very low | 29.2 | Very low | 148 Ų | 148 | 156.2 Ų | 156.2 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | | | trans | 86.3 | 136.6 | 136.6 | -155 | 20.9 | 0 | 0 | 0 | 122.9 | | |
| 134 | S | 28 | Very low | 29.4 | Very low | 75 Ų | 75 | 154.2 Ų | 154.2 | 52% | 0.524 | 78% | 0.779 | S | S | . | * | | | trans | 47.1 | 117.7 | 162.2 | 83.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 135 | R | 31.1 | Very low | 29.5 | Very low | 217 Ų | 217 | 156.7 Ų | 156.7 | 82% | 0.819 | 78% | 0.779 | S | S | * | * | | | | 161 | 151.6 | 109.1 | -86.1 | 157 | -168 | -132.4 | -3.4 | 113.6 | | |
| 136 | N | 29.8 | Very low | 29.4 | Very low | 160 Ų | 160 | 156.7 Ų | 156.7 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | | | trans | 67.4 | 143.2 | 172.7 | -51.9 | -7.7 | 0 | 0 | 0 | 114.6 | | |
| 137 | S | 31.8 | Very low | 29.5 | Very low | 104 Ų | 104 | 155.9 Ų | 155.9 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | cis | -154 | 134.4 | -11 | 44.6 | 0 | 0 | 0 | 0 | 107 | | |
| 138 | E | 29.7 | Very low | 29.6 | Very low | 170 Ų | 170 | 152.3 Ų | 152.3 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | | | | 59.9 | 133.1 | 65 | -98.8 | -174.6 | 175 | 0 | 0 | 115.7 | | |
| 139 | N | 31.2 | Very low | 29.7 | Very low | 149 Ų | 149 | 146.4 Ų | 146.4 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | | | trans | 70.4 | 118.5 | -174.3 | -41.8 | -69 | 0 | 0 | 0 | 112.6 | | |
| 140 | V | 31.1 | Very low | 29.8 | Very low | 128 Ų | 128 | 150.8 Ų | 150.8 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | | -167.6 | 142.3 | 64.1 | 149.9 | 0 | 0 | 0 | 0 | 106.4 | | |
| 141 | F | 30.8 | Very low | 30 | Very low | 188 Ų | 188 | 143.5 Ų | 143.5 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | | | cis | -147.4 | 165.2 | 4.9 | -137 | -133.9 | 0 | 0 | 0 | 110.4 | | |
| 142 | Q | 28.9 | Very low | 30.1 | Very low | 173 Ų | 173 | 145.9 Ų | 145.9 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | | | trans | -104.4 | 149.9 | 172.5 | -67.9 | 175.3 | -36.1 | 0 | 0 | 111.6 | | |
| 143 | N | 31.5 | Very low | 30.2 | Very low | 137 Ų | 137 | 146 Ų | 146 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | | | trans | 173.9 | 141.8 | 150.6 | -91.3 | -26.9 | 0 | 0 | 0 | 108.3 | | |
| 144 | N | 31.1 | Very low | 30.3 | Very low | 119 Ų | 119 | 146.3 Ų | 146.3 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | | | cis | -159.1 | 163.2 | -3.6 | -136.8 | -26.5 | 0 | 0 | 0 | 112.2 | | |
| 145 | I | 30.7 | Very low | 30.5 | Very low | 137 Ų | 137 | 151.1 Ų | 151.1 | 70% | 0.703 | 75% | 0.753 | S | S | * | * | | | trans | 74 | 107.5 | 160.1 | -62.3 | 156.9 | 0 | 0 | 0 | 116.6 | | |
| 146 | F | 27.3 | Very low | 30.1 | Very low | 160 Ų | 160 | 151.6 Ų | 151.6 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | | | | 65.9 | 135.5 | 73.5 | -79.6 | -74.7 | 0 | 0 | 0 | 113.8 | | |
| 147 | M | 31.2 | Very low | 30.2 | Very low | 119 Ų | 119 | 149.5 Ų | 149.5 | 59% | 0.586 | 75% | 0.75 | S | S | * | * | | | cis | -149.5 | 153.4 | 29.1 | -85.4 | -67.6 | 174 | 0 | 0 | 113.8 | | |
| 148 | N | 30.7 | Very low | 30 | Very low | 130 Ų | 130 | 152.5 Ų | 152.5 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | | | trans | 54.1 | 151.4 | 140 | -60.3 | -20.2 | 0 | 0 | 0 | 123.6 | | |
| 149 | A | 30.5 | Very low | 30.1 | Very low | 81 Ų | 81 | 151 Ų | 151 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | | | cis | -168.5 | 140.4 | -23 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 150 | R | 30.1 | Very low | 29.9 | Very low | 233 Ų | 233 | 150.3 Ų | 150.3 | 88% | 0.879 | 75% | 0.751 | S | S | * | * | | | trans | 46.8 | 130.3 | 148.2 | -60.5 | -175.3 | -179.2 | -142.1 | -1.4 | 122.7 | | |
| 151 | P | 30.7 | Very low | 30 | Very low | 88 Ų | 88 | 150.3 Ų | 150.3 | 57% | 0.571 | 75% | 0.753 | S | S | * | * | | | trans | -97.6 | 167.1 | 169.1 | 39.3 | -34.6 | 0 | 0 | 0 | 114.4 | | |
| 152 | I | 30.1 | Very low | 30 | Very low | 176 Ų | 176 | 146.8 Ų | 146.8 | 90% | 0.903 | 75% | 0.747 | S | S | * | * | | | trans | -133.8 | 157.1 | 168.6 | -65.8 | -177.5 | 0 | 0 | 0 | 109.9 | | |
| 153 | H | 30.2 | Very low | 30.2 | Very low | 175 Ų | 175 | 143.8 Ų | 143.8 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | | | trans | -95.6 | 175.2 | -169.1 | -146.2 | -104.3 | 0 | 0 | 0 | 113.1 | | |
| 154 | Q | 29.7 | Very low | 30.2 | Very low | 153 Ų | 153 | 144.6 Ų | 144.6 | 72% | 0.715 | 75% | 0.745 | S | S | * | * | | | trans | 103.2 | 125.9 | 157.6 | -63.8 | -173.4 | -14.9 | 0 | 0 | 121.9 | | |
| 155 | H | 31.8 | Very low | 30.5 | Very low | 176 Ų | 176 | 146 Ų | 146 | 82% | 0.815 | 75% | 0.747 | S | S | * | * | | | trans | 91.8 | 146.9 | 145.2 | -64.8 | 1.6 | 0 | 0 | 0 | 120.6 | | |
| 156 | W | 23 | Very low | 30.9 | Very low | 227 Ų | 227 | 144 Ų | 144 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | | | trans | -146.8 | 126.1 | -164.3 | -177.2 | -46.2 | 0 | 0 | 0 | 109.1 | | |
| 157 | P | 31.2 | Very low | 31.6 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | | | trans | -104.8 | 143.4 | 166.1 | 35 | -27.5 | 0 | 0 | 0 | 112.2 | | |
| 158 | Q | 28.6 | Very low | 32 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | | | trans | -90.5 | 134.8 | 177.3 | -63.3 | 174.3 | -5.8 | 0 | 0 | 111 | | |
| 159 | V | 31.6 | Very low | 32.4 | Very low | 137 Ų | 137 | 147.7 Ų | 147.7 | 83% | 0.83 | 74% | 0.744 | S | S | * | * | | | trans | -140.1 | 122 | 160.6 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 160 | L | 26.2 | Very low | 33.1 | Very low | 136 Ų | 136 | 149.6 Ų | 149.6 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | | | trans | -105.1 | 134.1 | 169.5 | -78.3 | 84.3 | 0 | 0 | 0 | 110 | | |
| 161 | P | 33.7 | Very low | 33.7 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 83% | 0.831 | 72% | 0.722 | S | S | * | * | | | trans | -87.4 | 131.6 | 150.8 | -4.3 | 23.7 | 0 | 0 | 0 | 109.6 | | |
| 162 | T | 31.8 | Very low | 34.4 | Very low | 113 Ų | 113 | 143.4 Ų | 143.4 | 69% | 0.693 | 72% | 0.716 | S | S | * | * | | | trans | -110.5 | 148 | 176 | 47.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 163 | S | 31.8 | Very low | 35.2 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 77% | 0.769 | 70% | 0.701 | S | S | * | * | | | trans | 70.4 | 152.6 | 175.4 | 85.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 164 | Q | 33.2 | Very low | 36.2 | Very low | 154 Ų | 154 | 140.8 Ų | 140.8 | 72% | 0.72 | 70% | 0.695 | S | S | * | * | | | cis | -132.9 | 170.7 | 10.2 | -64.3 | 177.1 | -11.9 | 0 | 0 | 112.8 | | |
| 165 | H | 37.1 | Very low | 37.6 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 69% | 0.685 | 69% | 0.688 | S | S | * | * | | | trans | 64.3 | 70.9 | 164.9 | -59.6 | -68.9 | 0 | 0 | 0 | 121.4 | N167 | H165-N167 VanDerWaalsContact C-N 3.31Š|
| 166 | P | 38.2 | Very low | 38.5 | Very low | 96 Ų | 96 | 135 Ų | 135 | 62% | 0.623 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -71.1 | -22.4 | 160.6 | -14.8 | 30.6 | 0 | 0 | 0 | 114.2 | R168 | P166-R168 PolarHBondContact O-N 3.06Š|
| 167 | N | 42 | Very low | 39.9 | Very low | 100 Ų | 100 | 128.3 Ų | 128.3 | 54% | 0.535 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -81.4 | -16.8 | -156 | -59.1 | 11.7 | 0 | 0 | 0 | 115.2 | H165 N171 | H165-N167 VanDerWaalsContact C-N 3.31Å; N167-N171 PolarHBondContact O-N 3.49Å |
| 168 | R | 40.2 | Very low | 41 | Very low | 186 Ų | 186 | 125.7 Ų | 125.7 | 70% | 0.702 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.7 | -50.7 | -176 | -166.7 | 175.1 | -177.7 | 177.7 | 1.6 | 111.2 | P166 Q170 N171 E172 | P166-R168 PolarHBondContact O-N 3.06Å; R168-Q170 VanDerWaalsContact C-N 3.3Å; R168-Q170 PolarHBondContact O-N 3.4Å; R168-N171 PolarHBondContact O-N 3.07Å; R168-E172 WeakPolarHBondContact O-CG 3.34Å; R168-E172 PolarHBondContact O-N 3.47Å |
| 169 | W | 38.4 | Very low | 42.5 | Very low | 200 Ų | 200 | 123.6 Ų | 123.6 | 76% | 0.758 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.5 | -32 | 178 | -63.2 | 103.5 | 0 | 0 | 0 | 113.4 | N171 L173 | W169-N171 VanDerWaalsContact C-N 3.35Å; W169-L173 WeakPolarHBondContact O-CB 3.44Å; W169-L173 WeakPolarHBondContact O-CG 3.41Å; W169-L173 PolarHBondContact O-N 2.93Å |
| 170 | Q | 45 | Very low | 43.7 | Very low | 122 Ų | 122 | 121.7 Ų | 121.7 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.5 | -30.9 | 173.1 | -72.4 | -168.4 | -18.4 | 0 | 0 | 112.9 | R168 R174 | R168-Q170 VanDerWaalsContact C-N 3.3Å; R168-Q170 PolarHBondContact O-N 3.4Å; Q170-R174 VanDerWaalsContact O-CB 3.26Å; Q170-R174 WeakPolarHBondContact O-CB 3.45Å; Q170-R174 VanDerWaalsContact O-CG 3.25Å; Q170-R174 WeakPolarHBondContact O-CG 3.44Å; Q170-R174 PolarHBondContact O-N 3.47Å |
| 171 | N | 43.7 | Very low | 45.1 | Very low | 97 Ų | 97 | 118.1 Ų | 118.1 | 52% | 0.519 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -75.1 | -42 | 173.7 | -77.8 | -1.9 | 0 | 0 | 0 | 112 | N167 R168 W169 R174 Q175 | N167-N171 PolarHBondContact O-N 3.49Å; R168-N171 PolarHBondContact O-N 3.07Å; W169-N171 VanDerWaalsContact C-N 3.35Å; N171-R174 PolarHBondContact O-N 2.89Å; N171-Q175 WeakPolarHBondContact O-CG 3.36Å; N171-Q175 PolarHBondContact O-N 3.12Å |
| 172 | E | 44.3 | Very low | 46.5 | Very low | 94 Ų | 94 | 116.2 Ų | 116.2 | 44% | 0.439 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -56.9 | -52.2 | 172.4 | -62.8 | -77.5 | 158.9 | 0 | 0 | 110.6 | R168 R174 Q175 V176 | R168-E172 WeakPolarHBondContact O-CG 3.34Å; R168-E172 PolarHBondContact O-N 3.47Å; E172-R174 VanDerWaalsContact C-N 3.35Å; E172-R174 PolarHBondContact O-N 3.15Å; E172-Q175 PolarHBondContact O-N 3.2Å; E172-Q175 VanDerWaalsContact O-N 3.12Å; E172-V176 WeakPolarHBondContact O-CG2 3.4Å; E172-V176 PolarHBondContact O-N 3.22Å |
| 173 | L | 47 | Very low | 47.5 | Very low | 114 Ų | 114 | 113.7 Ų | 113.7 | 60% | 0.597 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.5 | -40.1 | 177.1 | -76.1 | 166.5 | 0 | 0 | 0 | 112.3 | W169 Q175 V176 T177 | W169-L173 WeakPolarHBondContact O-CB 3.44Å; W169-L173 WeakPolarHBondContact O-CG 3.41Å; W169-L173 PolarHBondContact O-N 2.93Å; L173-Q175 VanDerWaalsContact C-N 3.35Å; L173-Q175 PolarHBondContact O-N 3.24Å; L173-V176 PolarHBondContact O-N 3.31Å; L173-T177 WeakPolarHBondContact O-CG2 3.3Å; L173-T177 PolarHBondContact O-N 2.98Å; L173-T177 PolarHBondContact O-OG1 3.36Å; L173-T177 VanDerWaalsContact O-OG1 3.05Å |
| 174 | R | 52.1 | Low | 48.7 | Very low | 181 Ų | 181 | 111.2 Ų | 111.2 | 68% | 0.683 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.3 | -39.3 | 173.5 | -84.6 | 178.3 | 176.7 | -115.1 | 0 | 112.4 | Q170 N171 E172 T177 S178 | Q170-R174 VanDerWaalsContact O-CB 3.26Å; Q170-R174 WeakPolarHBondContact O-CB 3.45Å; Q170-R174 VanDerWaalsContact O-CG 3.25Å; Q170-R174 WeakPolarHBondContact O-CG 3.44Å; Q170-R174 PolarHBondContact O-N 3.47Å; N171-R174 PolarHBondContact O-N 2.89Å; E172-R174 VanDerWaalsContact C-N 3.35Å; E172-R174 PolarHBondContact O-N 3.15Å; R174-T177 WeakPolarHBondContact CA-OG1 3.26Å; R174-T177 PolarHBondContact O-OG1 3.17Å; R174-T177 VanDerWaalsContact O-OG1 3.14Å; R174-S178 WeakPolarHBondContact O-CB 3.03Å; R174-S178 PolarHBondContact O-N 3.19Å |
| 175 | Q | 57.6 | Low | 50 | Low | 122 Ų | 122 | 108.7 Ų | 108.7 | 57% | 0.57 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.2 | -43.8 | 176.2 | -74.8 | 179 | 8.2 | 0 | 0 | 111.2 | N171 E172 L173 S178 L179 | N171-Q175 WeakPolarHBondContact O-CG 3.36Å; N171-Q175 PolarHBondContact O-N 3.12Å; E172-Q175 PolarHBondContact O-N 3.2Å; E172-Q175 VanDerWaalsContact O-N 3.12Å; L173-Q175 VanDerWaalsContact C-N 3.35Å; L173-Q175 PolarHBondContact O-N 3.24Å; Q175-S178 WeakPolarHBondContact O-CB 3.47Å; Q175-S178 PolarHBondContact O-N 3.4Å; Q175-L179 WeakPolarHBondContact O-CB 3.44Å; Q175-L179 WeakPolarHBondContact O-CG 3.35Å; Q175-L179 PolarHBondContact O-N 3.34Å |
| 176 | V | 51.1 | Low | 51 | Low | 86 Ų | 86 | 104.3 Ų | 104.3 | 52% | 0.521 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.3 | -48.3 | 175.9 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | E172 L173 S178 L179 V180 | E172-V176 WeakPolarHBondContact O-CG2 3.4Å; E172-V176 PolarHBondContact O-N 3.22Å; L173-V176 PolarHBondContact O-N 3.31Å; V176-S178 VanDerWaalsContact C-N 3.29Å; V176-S178 PolarHBondContact O-N 3.37Å; V176-L179 PolarHBondContact O-N 2.81Å; V176-V180 WeakPolarHBondContact O-CG2 3.49Å; V176-V180 PolarHBondContact O-N 2.94Å |
| 177 | T | 54.1 | Low | 51.9 | Low | 87 Ų | 87 | 102.7 Ų | 102.7 | 53% | 0.534 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65 | -34.1 | 176.2 | 55.3 | 0 | 0 | 0 | 0 | 112.3 | L173 R174 S181 | L173-T177 WeakPolarHBondContact O-CG2 3.3Å; L173-T177 PolarHBondContact O-N 2.98Å; L173-T177 PolarHBondContact O-OG1 3.36Å; L173-T177 VanDerWaalsContact O-OG1 3.05Å; R174-T177 WeakPolarHBondContact CA-OG1 3.26Å; R174-T177 PolarHBondContact O-OG1 3.17Å; R174-T177 VanDerWaalsContact O-OG1 3.14Å; T177-S181 WeakPolarHBondContact O-CB 3.33Å; T177-S181 PolarHBondContact O-N 2.81Å; T177-S181 PolarHBondContact O-OG 3.22Å |
| 178 | S | 52.3 | Low | 52.6 | Low | 61 Ų | 61 | 100.9 Ų | 100.9 | 43% | 0.427 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.2 | -48.7 | 174.1 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | R174 Q175 V176 V180 S181 V182 | R174-S178 WeakPolarHBondContact O-CB 3.03Å; R174-S178 PolarHBondContact O-N 3.19Å; Q175-S178 WeakPolarHBondContact O-CB 3.47Å; Q175-S178 PolarHBondContact O-N 3.4Å; V176-S178 VanDerWaalsContact C-N 3.29Å; V176-S178 PolarHBondContact O-N 3.37Å; S178-V180 PolarHBondContact O-N 3.49Å; S178-S181 WeakPolarHBondContact CA-OG 3.49Å; S178-S181 PolarHBondContact O-N 3.2Å; S178-S181 PolarHBondContact O-OG 3.02Å; S178-V182 WeakPolarHBondContact O-CB 3.19Å; S178-V182 VanDerWaalsContact O-CG2 3.31Å; S178-V182 WeakPolarHBondContact O-CG2 3.33Å; S178-V182 PolarHBondContact O-N 3.46Å |
| 179 | L | 60.1 | Low | 53.3 | Low | 123 Ų | 123 | 94.6 Ų | 94.6 | 64% | 0.644 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.8 | -43.2 | 179.2 | -74.4 | 166.4 | 0 | 0 | 0 | 111.8 | Q175 V176 V182 A183 | Q175-L179 WeakPolarHBondContact O-CB 3.44Å; Q175-L179 WeakPolarHBondContact O-CG 3.35Å; Q175-L179 PolarHBondContact O-N 3.34Å; V176-L179 PolarHBondContact O-N 2.81Å; L179-V182 PolarHBondContact O-N 3.14Å; L179-A183 WeakPolarHBondContact O-CB 3.38Å; L179-A183 PolarHBondContact O-N 3.35Å |
| 180 | V | 57.7 | Low | 54 | Low | 98 Ų | 98 | 87.8 Ų | 87.8 | 59% | 0.594 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.3 | -43.3 | 174.3 | 174 | 0 | 0 | 0 | 0 | 111.2 | V176 S178 A183 A184 | V176-V180 WeakPolarHBondContact O-CG2 3.49Å; V176-V180 PolarHBondContact O-N 2.94Å; S178-V180 PolarHBondContact O-N 3.49Å; V180-A183 PolarHBondContact O-N 2.95Å; V180-A184 WeakPolarHBondContact O-CB 3.33Å; V180-A184 PolarHBondContact O-N 2.86Å |
| 181 | S | 56.5 | Low | 54.1 | Low | 61 Ų | 61 | 84.4 Ų | 84.4 | 43% | 0.427 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.7 | -36.6 | 177.2 | 71.7 | 0 | 0 | 0 | 0 | 113.1 | T177 S178 A184 V185 | T177-S181 WeakPolarHBondContact O-CB 3.33Å; T177-S181 PolarHBondContact O-N 2.81Å; T177-S181 PolarHBondContact O-OG 3.22Å; S178-S181 WeakPolarHBondContact CA-OG 3.49Å; S178-S181 PolarHBondContact O-N 3.2Å; S178-S181 PolarHBondContact O-OG 3.02Å; S181-A184 PolarHBondContact O-N 3.41Å; S181-V185 WeakPolarHBondContact O-CB 3.5Å; S181-V185 VanDerWaalsContact O-CG2 3.27Å; S181-V185 WeakPolarHBondContact O-CG2 3.48Å; S181-V185 PolarHBondContact O-N 2.9Å |
| 182 | V | 62 | Low | 54.3 | Low | 87 Ų | 87 | 82.2 Ų | 82.2 | 53% | 0.527 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70 | -39.1 | 175.8 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | S178 L179 V185 A186 | S178-V182 WeakPolarHBondContact O-CB 3.19Å; S178-V182 VanDerWaalsContact O-CG2 3.31Å; S178-V182 WeakPolarHBondContact O-CG2 3.33Å; S178-V182 PolarHBondContact O-N 3.46Å; L179-V182 PolarHBondContact O-N 3.14Å; V182-V185 PolarHBondContact O-N 3.12Å; V182-A186 WeakPolarHBondContact O-CB 3.37Å; V182-A186 PolarHBondContact O-N 2.95Å |
| 183 | A | 53.9 | Low | 54.4 | Low | 61 Ų | 61 | 80.7 Ų | 80.7 | 50% | 0.504 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L179 V180 A186 A187 | L179-A183 WeakPolarHBondContact O-CB 3.38Å; L179-A183 PolarHBondContact O-N 3.35Å; V180-A183 PolarHBondContact O-N 2.95Å; A183-A186 PolarHBondContact O-N 3.05Å; A183-A187 WeakPolarHBondContact O-CB 3.41Å; A183-A187 PolarHBondContact O-N 2.99Å |
| 184 | A | 56.2 | Low | 54.4 | Low | 58 Ų | 58 | 80 Ų | 80 | 48% | 0.479 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V180 S181 A187 A188 | V180-A184 WeakPolarHBondContact O-CB 3.33Å; V180-A184 PolarHBondContact O-N 2.86Å; S181-A184 PolarHBondContact O-N 3.41Å; A184-A187 PolarHBondContact O-N 3.24Å; A184-A188 WeakPolarHBondContact O-CB 3.28Å; A184-A188 PolarHBondContact O-N 3.48Å |
| 185 | V | 60.2 | Low | 53.9 | Low | 101 Ų | 101 | 78.6 Ų | 78.6 | 61% | 0.612 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68 | -36.2 | 175.3 | 169.7 | 0 | 0 | 0 | 0 | 111.6 | S181 V182 A188 A189 | S181-V185 WeakPolarHBondContact O-CB 3.5Å; S181-V185 VanDerWaalsContact O-CG2 3.27Å; S181-V185 WeakPolarHBondContact O-CG2 3.48Å; S181-V185 PolarHBondContact O-N 2.9Å; V182-V185 PolarHBondContact O-N 3.12Å; V185-A188 PolarHBondContact O-N 2.81Å; V185-A189 WeakPolarHBondContact O-CB 3.46Å; V185-A189 PolarHBondContact O-N 3.37Å |
| 186 | A | 58.3 | Low | 53 | Low | 55 Ų | 55 | 79.8 Ų | 79.8 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.1 | -40.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | V182 A183 A189 A190 | V182-A186 WeakPolarHBondContact O-CB 3.37Å; V182-A186 PolarHBondContact O-N 2.95Å; A183-A186 PolarHBondContact O-N 3.05Å; A186-A189 PolarHBondContact O-N 3.17Å; A186-A190 WeakPolarHBondContact O-CB 3Å; A186-A190 PolarHBondContact O-N 3.32Å |
| 187 | A | 58 | Low | 52.3 | Low | 63 Ų | 63 | 80 Ų | 80 | 52% | 0.521 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A183 A184 A190 A191 | A183-A187 WeakPolarHBondContact O-CB 3.41Å; A183-A187 PolarHBondContact O-N 2.99Å; A184-A187 PolarHBondContact O-N 3.24Å; A187-A190 PolarHBondContact O-N 2.96Å; A187-A191 WeakPolarHBondContact O-CB 3.34Å; A187-A191 PolarHBondContact O-N 3.19Å |
| 188 | A | 55.2 | Low | 51.3 | Low | 61 Ų | 61 | 81.5 Ų | 81.5 | 50% | 0.504 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A184 V185 A191 A192 | A184-A188 WeakPolarHBondContact O-CB 3.28Å; A184-A188 PolarHBondContact O-N 3.48Å; V185-A188 PolarHBondContact O-N 2.81Å; A188-A191 PolarHBondContact O-N 3.34Å; A188-A192 WeakPolarHBondContact O-CB 3.01Å; A188-A192 PolarHBondContact O-N 3.17Å |
| 189 | A | 55.4 | Low | 50.3 | Low | 55 Ų | 55 | 87.1 Ų | 87.1 | 46% | 0.455 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.8 | -36.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V185 A186 A192 A193 | V185-A189 WeakPolarHBondContact O-CB 3.46Å; V185-A189 PolarHBondContact O-N 3.37Å; A186-A189 PolarHBondContact O-N 3.17Å; A189-A192 PolarHBondContact O-N 3.5Å; A189-A193 VanDerWaalsContact O-CB 3.29Å; A189-A193 WeakPolarHBondContact O-CB 3.15Å; A189-A193 PolarHBondContact O-N 2.92Å |
| 190 | A | 53.3 | Low | 48.8 | Very low | 56 Ų | 56 | 90.1 Ų | 90.1 | 46% | 0.463 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.5 | -47 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A186 A187 A192 A193 T194 | A186-A190 WeakPolarHBondContact O-CB 3Å; A186-A190 PolarHBondContact O-N 3.32Å; A187-A190 PolarHBondContact O-N 2.96Å; A190-A192 VanDerWaalsContact C-N 3.34Å; A190-A192 PolarHBondContact O-N 3.06Å; A190-A193 WeakPolarHBondContact O-CB 3.36Å; A190-A193 PolarHBondContact O-N 3.28Å; A190-A193 VanDerWaalsContact O-N 3.17Å; A190-T194 PolarHBondContact O-N 3.27Å; A190-T194 PolarHBondContact O-OG1 2.78Å |
| 191 | A | 47.7 | Very low | 47.6 | Very low | 52 Ų | 52 | 95.1 Ų | 95.1 | 43% | 0.43 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.1 | -41.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A187 A188 T194 Q195 | A187-A191 WeakPolarHBondContact O-CB 3.34Å; A187-A191 PolarHBondContact O-N 3.19Å; A188-A191 PolarHBondContact O-N 3.34Å; A191-T194 WeakPolarHBondContact CA-OG1 3.37Å; A191-T194 PolarHBondContact O-N 2.71Å; A191-T194 PolarHBondContact O-OG1 3.29Å; A191-Q195 PolarHBondContact O-N 2.71Å |
| 192 | A | 48.2 | Very low | 46.4 | Very low | 50 Ų | 50 | 97.9 Ų | 97.9 | 41% | 0.413 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.1 | -35.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A188 A189 A190 Q195 N196 | A188-A192 WeakPolarHBondContact O-CB 3.01Å; A188-A192 PolarHBondContact O-N 3.17Å; A189-A192 PolarHBondContact O-N 3.5Å; A190-A192 VanDerWaalsContact C-N 3.34Å; A190-A192 PolarHBondContact O-N 3.06Å; A192-Q195 PolarHBondContact O-N 3.16Å; A192-N196 PolarHBondContact O-N 2.71Å |
| 193 | A | 45.6 | Very low | 45 | Very low | 63 Ų | 63 | 99.7 Ų | 99.7 | 52% | 0.521 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.5 | -41 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A189 A190 Q195 N196 | A189-A193 VanDerWaalsContact O-CB 3.29Å; A189-A193 WeakPolarHBondContact O-CB 3.15Å; A189-A193 PolarHBondContact O-N 2.92Å; A190-A193 WeakPolarHBondContact O-CB 3.36Å; A190-A193 PolarHBondContact O-N 3.28Å; A190-A193 VanDerWaalsContact O-N 3.17Å; A193-Q195 PolarHBondContact O-N 3.05Å; A193-N196 PolarHBondContact O-N 3.42Å; A193-N196 VanDerWaalsContact O-N 3.16Å |
| 194 | T | 46 | Very low | 43.8 | Very low | 99 Ų | 99 | 104.7 Ų | 104.7 | 61% | 0.607 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.9 | -16.9 | 175.1 | 45.5 | 0 | 0 | 0 | 0 | 114.3 | A190 A191 | A190-T194 PolarHBondContact O-N 3.27Å; A190-T194 PolarHBondContact O-OG1 2.78Å; A191-T194 WeakPolarHBondContact CA-OG1 3.37Å; A191-T194 PolarHBondContact O-N 2.71Å; A191-T194 PolarHBondContact O-OG1 3.29Å |
| 195 | Q | 42.3 | Very low | 42.7 | Very low | 152 Ų | 152 | 109.7 Ų | 109.7 | 71% | 0.71 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -7.2 | 174.2 | -71.2 | -175.3 | -13.1 | 0 | 0 | 113.8 | A191 A192 A193 | A191-Q195 PolarHBondContact O-N 2.71Å; A192-Q195 PolarHBondContact O-N 3.16Å; A193-Q195 PolarHBondContact O-N 3.05Å |
| 196 | N | 39.1 | Very low | 41.2 | Very low | 146 Ų | 146 | 109.2 Ų | 109.2 | 78% | 0.781 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -106.6 | 4.2 | -176.6 | -107.9 | -23 | 0 | 0 | 0 | 114.1 | A192 A193 | A192-N196 PolarHBondContact O-N 2.71Å; A193-N196 PolarHBondContact O-N 3.42Å; A193-N196 VanDerWaalsContact O-N 3.16Å |
| 197 | S | 35.4 | Very low | 40.1 | Very low | 92 Ų | 92 | 111.5 Ų | 111.5 | 64% | 0.643 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -94.1 | 4.1 | -174.9 | 61 | 0 | 0 | 0 | 0 | 115.3 | | |
| 198 | T | 33.7 | Very low | 38.7 | Very low | 117 Ų | 117 | 113.9 Ų | 113.9 | 72% | 0.718 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -118.8 | 37.8 | -171.7 | 58.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 199 | H | 31.8 | Very low | 37.5 | Very low | 180 Ų | 180 | 117 Ų | 117 | 83% | 0.833 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -150.5 | 33.1 | 173.9 | -144.1 | -69.7 | 0 | 0 | 0 | 116.1 | | |
| 200 | Y | 29.2 | Very low | 36.1 | Very low | 186 Ų | 186 | 120.2 Ų | 120.2 | 73% | 0.729 | 68% | 0.681 | S | S | * | * | | | trans | -150 | 100.6 | 172.6 | -139.1 | -101.4 | 0 | 0 | 0 | 112.9 | Q202 | Y200-Q202 HydrophobicContact CD1-CG 4.26Å; Y200-Q202 VanDerWaalsContact CE1-CD 3.47Å; Y200-Q202 HydrophobicContact CE1-CG 3.74Å; Y200-Q202 PolarHBondContact OH-NE2 3.21Å; Y200-Q202 VanDerWaalsContact OH-NE2 3.1Å |
| 201 | Q | 31.6 | Very low | 35 | Very low | 202 Ų | 202 | 123.4 Ų | 123.4 | 94% | 0.944 | 70% | 0.695 | S | S | * | * | | | trans | -122 | 123.1 | 154.1 | -80.7 | -161.3 | -9.3 | 0 | 0 | 108.9 | | |
| 202 | Q | 31.6 | Very low | 34.1 | Very low | 120 Ų | 120 | 125.8 Ų | 125.8 | 56% | 0.561 | 71% | 0.709 | S | S | * | * | | | trans | -112.3 | 124.6 | 168.2 | -75 | -176.8 | -29.4 | 0 | 0 | 108.6 | Y200 F204 | Y200-Q202 HydrophobicContact CD1-CG 4.26Å; Y200-Q202 VanDerWaalsContact CE1-CD 3.47Å; Y200-Q202 HydrophobicContact CE1-CG 3.74Å; Y200-Q202 PolarHBondContact OH-NE2 3.21Å; Y200-Q202 VanDerWaalsContact OH-NE2 3.1Å; Q202-F204 HydrophobicContact CB-CD2 4.47Å; Q202-F204 PolarHBondContact O-N 3.13Å |
| 203 | S | 32.5 | Very low | 33.1 | Very low | 124 Ų | 124 | 128.5 Ų | 128.5 | 87% | 0.867 | 72% | 0.724 | S | S | * | * | | | trans | -84.5 | 99.7 | 166 | 39.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 204 | F | 28.9 | Very low | 32.4 | Very low | 166 Ų | 166 | 130.5 Ų | 130.5 | 73% | 0.728 | 73% | 0.734 | S | S | * | * | | | trans | -86.8 | 122.9 | 167 | -102.3 | -86.9 | 0 | 0 | 0 | 110 | Q202 | Q202-F204 HydrophobicContact CB-CD2 4.47Å; Q202-F204 PolarHBondContact O-N 3.13Å |
| 205 | I | 32 | Very low | 31.8 | Very low | 164 Ų | 164 | 134.8 Ų | 134.8 | 84% | 0.841 | 75% | 0.748 | S | S | * | * | | | trans | -125.1 | 134.4 | 159.2 | -62 | -178.4 | 0 | 0 | 0 | 108.1 | | |
| 206 | S | 29.8 | Very low | 31.5 | Very low | 91 Ų | 91 | 133.8 Ų | 133.8 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | | | trans | -124.2 | 172.9 | 175.9 | -66.6 | 0 | 0 | 0 | 0 | 107 | | |
| 207 | P | 35 | Very low | 31.5 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | | | cis | -145.4 | 169.5 | 18.1 | 44.7 | -25.8 | 0 | 0 | 0 | 118 | | |
| 208 | T | 29.1 | Very low | 31.6 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 69% | 0.693 | 76% | 0.758 | S | S | * | * | | | trans | 38.6 | 145.6 | 140.9 | 61.8 | 0 | 0 | 0 | 0 | 123.9 | | |
| 209 | T | 29.6 | Very low | 32 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | | | trans | 77.1 | 147.1 | 160.8 | 78.3 | 0 | 0 | 0 | 0 | 116.6 | | |
| 210 | T | 26.5 | Very low | 32.3 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | | | cis | -164 | 163.2 | -20 | 19.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 211 | V | 29.3 | Very low | 32.8 | Very low | 123 Ų | 123 | 125.3 Ų | 125.3 | 75% | 0.745 | 75% | 0.749 | S | S | * | * | | | trans | 71.7 | 96.8 | 149.1 | 167.9 | 0 | 0 | 0 | 0 | 119.3 | | |
| 212 | S | 28.1 | Very low | 33.1 | Very low | 103 Ų | 103 | 124 Ų | 124 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | | | | 74.5 | 145.1 | 118.7 | -50.1 | 0 | 0 | 0 | 0 | 125 | | |
| 213 | S | 28.7 | Very low | 33.4 | Very low | 106 Ų | 106 | 126.2 Ų | 126.2 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | | | trans | 91.7 | 132.9 | 146.5 | -53.6 | 0 | 0 | 0 | 0 | 120.6 | | |
| 214 | S | 30.4 | Very low | 33.4 | Very low | 105 Ų | 105 | 125.7 Ų | 125.7 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | | | trans | 60.3 | 143.6 | 151.2 | 42.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 215 | E | 33.4 | Very low | 33.8 | Very low | 189 Ų | 189 | 124.6 Ų | 124.6 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | | | cis | -157.2 | -172.9 | -2.8 | -122.8 | 161.9 | -154.6 | 0 | 0 | 112.5 | | |
| 216 | V | 36.7 | Very low | 33.8 | Very low | 131 Ų | 131 | 123.5 Ų | 123.5 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | | | trans | -138.3 | 128.7 | -156.8 | 166.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 217 | P | 38.5 | Very low | 34 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | | | | -151.4 | -178.1 | 104.8 | 40.6 | -22.8 | 0 | 0 | 0 | 116.6 | | |
| 218 | C | 36.8 | Very low | 33.9 | Very low | 110 Ų | 110 | 127.3 Ų | 127.3 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | | | trans | -100.8 | -176.6 | 169.3 | -49.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 219 | P | 41.6 | Very low | 34.4 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | | | | -125.2 | 141.9 | 88.1 | 3.5 | 18.9 | 0 | 0 | 0 | 112.3 | | |
| 220 | S | 38.2 | Very low | 34.4 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | | 64.7 | 135.3 | 71.4 | 94.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 221 | S | 39.5 | Very low | 34.5 | Very low | 86 Ų | 86 | 131.3 Ų | 131.3 | 60% | 0.601 | 77% | 0.771 | S | S | * | * | | | cis | -166.2 | 158.8 | 21.9 | 63.5 | 0 | 0 | 0 | 0 | 115 | | |
| 222 | Q | 39.6 | Very low | 34.9 | Very low | 175 Ų | 175 | 130 Ų | 130 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | 69.5 | 150.2 | 156.1 | -65.2 | 170.1 | 14.6 | 0 | 0 | 118 | | |
| 223 | H | 37 | Very low | 35.1 | Very low | 166 Ų | 166 | 137 Ų | 137 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | cis | -143.1 | 157.1 | -3.2 | -146.5 | -80.3 | 0 | 0 | 0 | 111.8 | | |
| 224 | C | 32.5 | Very low | 35.3 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | | | trans | -98 | 158.9 | 175.3 | -61.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 225 | V | 37.7 | Very low | 35.3 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | | | trans | 168.8 | 142.3 | 145.9 | 142.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 226 | D | 31.5 | Very low | 35.2 | Very low | 140 Ų | 140 | 137 Ų | 137 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | | | cis | -169.7 | 179 | -22.8 | -167.9 | 14.8 | 0 | 0 | 0 | 110.1 | | |
| 227 | I | 35.1 | Very low | 34.9 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 73% | 0.728 | 78% | 0.781 | S | S | * | * | | | trans | 84.5 | 124.5 | 161 | -53.4 | -179.5 | 0 | 0 | 0 | 117.9 | | |
| 228 | T | 31.2 | Very low | 34.4 | Very low | 132 Ų | 132 | 134 Ų | 134 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | | | trans | -122.6 | -134.7 | 170.2 | 44.8 | 0 | 0 | 0 | 0 | 112 | | |
| 229 | P | 39.6 | Very low | 34.1 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | | -122.3 | -165.6 | -125.9 | 37.4 | -17.1 | 0 | 0 | 0 | 115.2 | | |
| 230 | R | 29.6 | Very low | 33.4 | Very low | 236 Ų | 236 | 138.7 Ų | 138.7 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | | | | 126.6 | 110.3 | 128.7 | -160.9 | 173.2 | -166.3 | 160.6 | 3.2 | 119.3 | | |
| 231 | A | 30.2 | Very low | 33.1 | Very low | 94 Ų | 94 | 138.6 Ų | 138.6 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | | | trans | 63.6 | 122.3 | 136.7 | 0 | 0 | 0 | 0 | 0 | 125.3 | | |
| 232 | A | 36.8 | Very low | 32.6 | Very low | 94 Ų | 94 | 143.2 Ų | 143.2 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | | | trans | -157.8 | 134.9 | 130.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 233 | R | 31.7 | Very low | 32.2 | Very low | 252 Ų | 252 | 140.3 Ų | 140.3 | 95% | 0.951 | 78% | 0.778 | S | S | * | * | | | cis | 78.9 | 117.9 | 42.7 | -75.8 | -167.3 | 172.8 | -173.3 | -0.6 | 115 | | |
| 234 | G | 34.5 | Very low | 32 | Very low | 72 Ų | 72 | 141.2 Ų | 141.2 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | | | trans | 128.6 | 95.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 235 | F | 29.2 | Very low | 31.7 | Very low | 193 Ų | 193 | 146.6 Ų | 146.6 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | cis | 82 | 122.4 | 25.5 | -125.6 | -53.1 | 0 | 0 | 0 | 114.4 | | |
| 236 | T | 31.1 | Very low | 31.5 | Very low | 134 Ų | 134 | 145.2 Ų | 145.2 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | | | trans | 69 | 161.5 | 175.6 | 81.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 237 | S | 31.4 | Very low | 31.3 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | | | cis | -152.6 | 142.9 | -9.2 | 133.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 238 | S | 28 | Very low | 31.1 | Very low | 98 Ų | 98 | 145.5 Ų | 145.5 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | | | trans | 19.8 | 155.4 | 137.5 | -44.8 | 0 | 0 | 0 | 0 | 123.1 | | |
| 239 | R | 30.5 | Very low | 31 | Very low | 237 Ų | 237 | 146.9 Ų | 146.9 | 89% | 0.894 | 77% | 0.771 | S | S | * | * | | | trans | 72 | 152.8 | 157.9 | -74.2 | 174.7 | 175.7 | 174.7 | -2.6 | 116.1 | | |
| 240 | S | 27.5 | Very low | 30.3 | Very low | 87 Ų | 87 | 150 Ų | 150 | 61% | 0.608 | 77% | 0.772 | S | S | * | * | | | cis | 173.6 | 163 | -25.6 | 54.2 | 0 | 0 | 0 | 0 | 106.5 | | |
| 241 | S | 30.9 | Very low | 30.3 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | 69 | 159.9 | 168.7 | 91.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 242 | F | 29 | Very low | 30 | Very low | 184 Ų | 184 | 149.1 Ų | 149.1 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | | | cis | -164.4 | 165.4 | -10 | -131.2 | -147.8 | 0 | 0 | 0 | 106.2 | | |
| 243 | V | 31.3 | Very low | 30.1 | Very low | 114 Ų | 114 | 149.1 Ų | 149.1 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | | | trans | 67.8 | 136.9 | 152.4 | 158.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 244 | K | 32 | Very low | 29.8 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | cis | -155.4 | 157.9 | 7.1 | -126.3 | 165.6 | -154.9 | 168.6 | 0 | 109.3 | | |
| 245 | R | 27.1 | Very low | 29.6 | Very low | 226 Ų | 226 | 144.4 Ų | 144.4 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | | | trans | -89.6 | 150.7 | 148.6 | -70.5 | -177.2 | 174.1 | -173.7 | -2.1 | 108.4 | | |
| 246 | P | 34.5 | Very low | 29.7 | Very low | 113 Ų | 113 | 142.6 Ų | 142.6 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | | | | -129.7 | 172.2 | 88 | 10.8 | 13.1 | 0 | 0 | 0 | 111.8 | | |
| 247 | S | 26.8 | Very low | 29.8 | Very low | 85 Ų | 85 | 139.4 Ų | 139.4 | 59% | 0.594 | 76% | 0.756 | S | S | * | * | | | cis | 87.6 | 140.2 | 25.1 | -49 | 0 | 0 | 0 | 0 | 115.6 | | |
| 248 | Y | 29.9 | Very low | 29.9 | Very low | 204 Ų | 204 | 139.2 Ų | 139.2 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | | | trans | 72.4 | 149.1 | 176.5 | -55.2 | -78.3 | 0 | 0 | 0 | 115.7 | | |
| 249 | Q | 29.3 | Very low | 29.9 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | | | cis | -154.7 | -179.4 | -12.7 | -139.8 | 160.4 | -19 | 0 | 0 | 112 | | |
| 250 | F | 24.2 | Very low | 30.1 | Very low | 180 Ų | 180 | 137.7 Ų | 137.7 | 79% | 0.789 | 75% | 0.748 | S | S | * | * | | | trans | -37.6 | 146.6 | 169.8 | -78.4 | -127.2 | 0 | 0 | 0 | 116.5 | | |
| 251 | S | 30.5 | Very low | 30.1 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | | | | -173.8 | 148.1 | 121.4 | -81.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 252 | F | 25 | Very low | 29.9 | Very low | 190 Ų | 190 | 147.3 Ų | 147.3 | 83% | 0.833 | 76% | 0.755 | S | S | * | * | | | trans | -96 | -173.7 | 163.4 | -77 | -90.6 | 0 | 0 | 0 | 109.1 | | |
| 253 | P | 37 | Very low | 29.9 | Very low | 95 Ų | 95 | 142.8 Ų | 142.8 | 62% | 0.617 | 75% | 0.746 | S | S | * | * | | | cis | -128.8 | -158.1 | -47 | 33.6 | -13.9 | 0 | 0 | 0 | 111.1 | | |
| 254 | N | 26.7 | Very low | 29.9 | Very low | 159 Ų | 159 | 144.5 Ų | 144.5 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | | | trans | 73.3 | 140.8 | 156.8 | -61.4 | -16.9 | 0 | 0 | 0 | 120.1 | | |
| 255 | G | 29.3 | Very low | 29.7 | Very low | 65 Ų | 65 | 145 Ų | 145 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | | | trans | 142.6 | 119.9 | 133.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 256 | V | 32.3 | Very low | 30 | Very low | 155 Ų | 155 | 138.9 Ų | 138.9 | 94% | 0.939 | 74% | 0.743 | S | S | * | * | | | trans | 65.5 | 138.3 | 158.3 | -163.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 257 | G | 32.6 | Very low | 29.6 | Very low | 67 Ų | 67 | 141.8 Ų | 141.8 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | | | cis | 158.7 | 173 | 0.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 258 | S | 34.4 | Very low | 29.7 | Very low | 92 Ų | 92 | 142.7 Ų | 142.7 | 64% | 0.643 | 75% | 0.749 | S | S | * | * | | | cis | -173.1 | 152.4 | -9.8 | 66 | 0 | 0 | 0 | 0 | 110 | | |
| 259 | N | 28.3 | Very low | 29.5 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 67% | 0.674 | 74% | 0.741 | S | S | * | * | | | trans | 64.1 | 151 | 160.1 | -62.9 | -63.4 | 0 | 0 | 0 | 117.3 | | |
| 260 | K | 33.3 | Very low | 29.4 | Very low | 178 Ų | 178 | 138.5 Ų | 138.5 | 77% | 0.774 | 74% | 0.74 | S | S | * | * | | | cis | -137.5 | 149.4 | 11.2 | -107.8 | 131.7 | 176.5 | -174.7 | 0 | 108 | | |
| 261 | R | 27.4 | Very low | 29.6 | Very low | 191 Ų | 191 | 135.2 Ų | 135.2 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | | | | 52.7 | 139.5 | 83.4 | -52.2 | -170.6 | -172.5 | -161.2 | 1 | 113.3 | | |
| 262 | R | 27.3 | Very low | 29.4 | Very low | 202 Ų | 202 | 137.2 Ų | 137.2 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | | | cis | -168.3 | 179.9 | 7.6 | -133.6 | -177.1 | -177.7 | -172.8 | -3.7 | 109.4 | | |
| 263 | S | 28.1 | Very low | 29.4 | Very low | 88 Ų | 88 | 132.6 Ų | 132.6 | 62% | 0.615 | 72% | 0.722 | S | S | * | * | | | trans | 62 | 139.6 | 142.8 | 56 | 0 | 0 | 0 | 0 | 121.4 | | |
| 264 | D | 31.9 | Very low | 28.9 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 80% | 0.802 | 73% | 0.727 | S | S | * | * | | | cis | -158.8 | 155.5 | -14.3 | -92.6 | -34.6 | 0 | 0 | 0 | 108.7 | | |
| 265 | F | 28.6 | Very low | 28.9 | Very low | 196 Ų | 196 | 132.7 Ų | 132.7 | 86% | 0.86 | 71% | 0.711 | S | S | * | * | | | trans | -79.2 | 149.3 | 160.8 | -94.2 | -95.4 | 0 | 0 | 0 | 109.3 | | |
| 266 | P | 32.1 | Very low | 28.7 | Very low | 98 Ų | 98 | 133.2 Ų | 133.2 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | | | | -119.6 | 163.3 | 96.5 | -3.7 | 25.6 | 0 | 0 | 0 | 112.8 | | |
| 267 | E | 26.4 | Very low | 28.5 | Very low | 174 Ų | 174 | 128.2 Ų | 128.2 | 81% | 0.813 | 67% | 0.665 | S | S | * | * | | | | 68.1 | 144.6 | 58.7 | -131.1 | 175.5 | -162.8 | 0 | 0 | 110 | | |
| 268 | V | 28.5 | Very low | 28.3 | Very low | 104 Ų | 104 | 130.5 Ų | 130.5 | 63% | 0.63 | 66% | 0.662 | S | S | * | * | | | cis | -160.4 | 144.3 | 42.9 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 269 | N | 26.6 | Very low | 28 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 63% | 0.631 | 66% | 0.657 | S | S | * | * | | | trans | 62.5 | 139.2 | 158.4 | -70.1 | 20.1 | 0 | 0 | 0 | 121.2 | | |
| 270 | E | 26.8 | Very low | 28 | Very low | 158 Ų | 158 | 128.2 Ų | 128.2 | 74% | 0.738 | 66% | 0.659 | S | S | * | * | | | | 54.9 | 136.3 | 76.3 | -42.1 | 172.3 | 145.4 | 0 | 0 | 112.8 | | |
| 271 | T | 27.9 | Very low | 27.8 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 69% | 0.687 | 66% | 0.657 | S | S | * | * | | | cis | -154.3 | -178.1 | 38.6 | 46.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 272 | H | 26.5 | Very low | 27.7 | Very low | 164 Ų | 164 | 121.5 Ų | 121.5 | 76% | 0.759 | 65% | 0.646 | S | S | * | * | | | trans | 15.7 | 142.4 | 136.2 | -64.7 | -131.6 | 0 | 0 | 0 | 118.6 | | |
| 273 | S | 25.8 | Very low | 27.6 | Very low | 93 Ų | 93 | 121.7 Ų | 121.7 | 65% | 0.65 | 65% | 0.648 | S | S | * | * | | | cis | -159.3 | 148.4 | 14.3 | -0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 274 | Q | 27.3 | Very low | 27.6 | Very low | 154 Ų | 154 | 124 Ų | 124 | 72% | 0.72 | 65% | 0.649 | S | S | * | * | | | | 66.2 | 146.2 | 69.7 | -142.5 | -171 | 12.1 | 0 | 0 | 112.9 | | |
| 275 | I | 25 | Very low | 27.3 | Very low | 101 Ų | 101 | 123.2 Ų | 123.2 | 52% | 0.518 | 64% | 0.64 | S | S | . | * | | | trans | 78.4 | 132.6 | 157 | -76.4 | 151.6 | 0 | 0 | 0 | 115.7 | T993 E994 | I275-T993 CarbonylContact C-O 3Å; I275-T993 VanDerWaalsContact CA-O 3.32Å; I275-T993 WeakPolarHBondContact CA-O 3.34Å; I275-T993 PolarHBondContact N-O 2.89Å; I275-E994 PolarHBondContact O-N 3.33Å |
| 276 | I | 25.5 | Very low | 27.1 | Very low | 77 Ų | 77 | 122 Ų | 122 | 40% | 0.395 | 64% | 0.635 | S | S | . | * | | | cis | -166.5 | 156.4 | -5 | -121.2 | 178.2 | 0 | 0 | 0 | 111.3 | T993 | I276-T993 PolarHBondContact N-O 3.37Š|
| 277 | I | 27.7 | Very low | 26.9 | Very low | 49 Ų | 49 | 121 Ų | 121 | 25% | 0.251 | 63% | 0.634 | S | S | . | * | | | trans | 22.6 | 139.7 | 146.4 | -32.7 | 147.7 | 0 | 0 | 0 | 117.7 | N279 Y992 | I277-N279 VanDerWaalsContact CG2-OD1 3.27Å; I277-N279 WeakPolarHBondContact CG2-OD1 3.47Å; I277-Y992 HydrophobicContact CB-CD2 4.1Å; I277-Y992 HydrophobicContact CB-CE2 3.86Å; I277-Y992 HydrophobicContact CG1-CD2 3.45Å; I277-Y992 VanDerWaalsContact CG1-CD2 3.45Å; I277-Y992 HydrophobicContact CG1-CE2 3.61Å; I277-Y992 HydrophobicContact CG1-CG 4.2Å; I277-Y992 HydrophobicContact CG2-CD2 4.31Å; I277-Y992 HydrophobicContact CG2-CE2 3.6Å |
| 278 | N | 28.3 | Very low | 26.9 | Very low | 115 Ų | 115 | 118.9 Ų | 118.9 | 62% | 0.615 | 63% | 0.633 | S | S | * | * | | | | 174.2 | 152.3 | 86.1 | -77 | -86.8 | 0 | 0 | 0 | 108.3 | | |
| 279 | N | 29.7 | Very low | 26.8 | Very low | 101 Ų | 101 | 119.5 Ų | 119.5 | 54% | 0.54 | 64% | 0.637 | S | S | . | * | | | cis | -155.9 | 151.5 | -15.5 | -98.3 | -18.8 | 0 | 0 | 0 | 106.4 | I277 | I277-N279 VanDerWaalsContact CG2-OD1 3.27Å; I277-N279 WeakPolarHBondContact CG2-OD1 3.47Å |
| 280 | G | 28.4 | Very low | 26.9 | Very low | 69 Ų | 69 | 119.1 Ų | 119.1 | 71% | 0.711 | 64% | 0.635 | S | S | * | * | | | | 84 | 167 | 87.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 281 | H | 28.4 | Very low | 27 | Very low | 161 Ų | 161 | 119 Ų | 119 | 75% | 0.745 | 63% | 0.632 | S | S | * | * | | | cis | -157.4 | 153.6 | -8 | -102.9 | -84.5 | 0 | 0 | 0 | 104.6 | | |
| 282 | S | 25.9 | Very low | 27.3 | Very low | 68 Ų | 68 | 119.7 Ų | 119.7 | 48% | 0.476 | 63% | 0.631 | S | S | . | * | | | cis | 161 | 131.1 | -16.5 | 53.8 | 0 | 0 | 0 | 0 | 104.9 | | |
| 283 | Y | 25.2 | Very low | 27.5 | Very low | 206 Ų | 206 | 119 Ų | 119 | 81% | 0.808 | 63% | 0.633 | S | S | * | * | | | trans | 65.6 | -179.3 | 161.6 | -59.7 | -150.6 | 0 | 0 | 0 | 112 | | |
| 284 | H | 27.2 | Very low | 27.6 | Very low | 137 Ų | 137 | 118.7 Ų | 118.7 | 63% | 0.634 | 63% | 0.629 | S | S | * | * | | | cis | -122.4 | 156 | 2.8 | -94.6 | -91.3 | 0 | 0 | 0 | 109 | | |
| 285 | E | 25.4 | Very low | 27.6 | Very low | 132 Ų | 132 | 119 Ų | 119 | 62% | 0.617 | 63% | 0.634 | S | S | * | * | | | | 55.6 | 140.4 | 84.4 | -115.3 | 174.2 | -162.4 | 0 | 0 | 112.1 | | |
| 286 | F | 25.3 | Very low | 27.8 | Very low | 172 Ų | 172 | 119 Ų | 119 | 75% | 0.754 | 64% | 0.641 | S | S | * | * | | | cis | -161.6 | 173.9 | 35.5 | -124.3 | -58.6 | 0 | 0 | 0 | 111.6 | | |
| 287 | A | 26.4 | Very low | 28.1 | Very low | 76 Ų | 76 | 119.8 Ų | 119.8 | 63% | 0.628 | 65% | 0.653 | S | S | * | * | | | trans | 69 | 125.8 | 149.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 288 | V | 26.8 | Very low | 28.1 | Very low | 129 Ų | 129 | 122.9 Ų | 122.9 | 78% | 0.782 | 68% | 0.677 | S | S | * | * | | | cis | 71.9 | 125 | 48.6 | 176.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 289 | T | 27.1 | Very low | 27.9 | Very low | 117 Ų | 117 | 122.4 Ų | 122.4 | 72% | 0.718 | 68% | 0.682 | S | S | * | * | | | trans | 153.7 | 66.6 | 177.7 | 70.9 | 0 | 0 | 0 | 0 | 115 | | |
| 290 | D | 27.9 | Very low | 27.8 | Very low | 110 Ų | 110 | 122.4 Ų | 122.4 | 59% | 0.588 | 69% | 0.69 | S | S | * | * | | | trans | 29.2 | 146.2 | 133 | -92.6 | -25.9 | 0 | 0 | 0 | 122.4 | | |
| 291 | K | 29.8 | Very low | 27.6 | Very low | 157 Ų | 157 | 128.3 Ų | 128.3 | 68% | 0.683 | 70% | 0.697 | S | S | * | * | | | trans | 68.5 | 149.2 | 139.1 | -67.9 | 167.7 | -171.9 | 130.2 | 0 | 117.8 | | |
| 292 | D | 32.8 | Very low | 27.3 | Very low | 125 Ų | 125 | 125.3 Ų | 125.3 | 67% | 0.668 | 69% | 0.694 | S | S | * | * | | | cis | -134.3 | 164.6 | -19.7 | -90.6 | -46.2 | 0 | 0 | 0 | 104.8 | | |
| 293 | L | 31 | Very low | 27.4 | Very low | 151 Ų | 151 | 127.5 Ų | 127.5 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | | | | 49.2 | 158.8 | 59.3 | -94.9 | 78.7 | 0 | 0 | 0 | 113.3 | | |
| 294 | P | 28.9 | Very low | 27.4 | Very low | 86 Ų | 86 | 122.6 Ų | 122.6 | 56% | 0.558 | 70% | 0.704 | S | S | * | * | | | cis | -140.7 | 170.8 | -26.2 | 38.7 | -22.8 | 0 | 0 | 0 | 114.8 | | |
| 295 | L | 27.5 | Very low | 27.3 | Very low | 159 Ų | 159 | 123.4 Ų | 123.4 | 83% | 0.832 | 71% | 0.713 | S | S | * | * | | | trans | 63.9 | 179.4 | 144.7 | -73.7 | 161.9 | 0 | 0 | 0 | 117.6 | | |
| 296 | P | 28.4 | Very low | 27.4 | Very low | 101 Ų | 101 | 122.9 Ų | 122.9 | 66% | 0.656 | 72% | 0.719 | S | S | * | * | | | cis | -128.3 | 177.3 | -39.4 | 30.7 | -13.9 | 0 | 0 | 0 | 114.5 | | |
| 297 | S | 31.4 | Very low | 27.6 | Very low | 94 Ų | 94 | 119.7 Ų | 119.7 | 66% | 0.657 | 72% | 0.718 | S | S | * | * | | | trans | -47.8 | 155.1 | 157.7 | 55.8 | 0 | 0 | 0 | 0 | 115.2 | | |
| 298 | P | 29.1 | Very low | 27.7 | Very low | 115 Ų | 115 | 119.8 Ų | 119.8 | 75% | 0.747 | 72% | 0.718 | S | S | * | * | | | | -114.5 | 150.7 | 98.6 | -7.7 | 26.8 | 0 | 0 | 0 | 111.5 | | |
| 299 | S | 24.2 | Very low | 27.8 | Very low | 104 Ų | 104 | 120.4 Ų | 120.4 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | | | cis | 78.8 | 74.1 | 27.7 | 89.5 | 0 | 0 | 0 | 0 | 116.1 | | |
| 300 | S | 26.3 | Very low | 27.9 | Very low | 101 Ų | 101 | 122.1 Ų | 122.1 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | | | trans | -154.4 | 131.1 | 160.2 | 39.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 301 | F | 23.8 | Very low | 27.9 | Very low | 194 Ų | 194 | 121.7 Ų | 121.7 | 85% | 0.851 | 73% | 0.725 | S | S | * | * | | | | 47.4 | 129 | 84.2 | -66.6 | -72.7 | 0 | 0 | 0 | 113.2 | | |
| 302 | S | 23.4 | Very low | 28.4 | Very low | 98 Ų | 98 | 121.4 Ų | 121.4 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | | | cis | 163.1 | 100.9 | -16.3 | 43.8 | 0 | 0 | 0 | 0 | 105.3 | | |
| 303 | S | 27.6 | Very low | 28.6 | Very low | 114 Ų | 114 | 119.5 Ų | 119.5 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | | | trans | -159.6 | 110.8 | 168.2 | 38.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 304 | S | 24.3 | Very low | 28.6 | Very low | 102 Ų | 102 | 119.5 Ų | 119.5 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | | | cis | 61.6 | 127.7 | 19.1 | -155.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 305 | L | 26.1 | Very low | 28.5 | Very low | 154 Ų | 154 | 121.5 Ų | 121.5 | 81% | 0.806 | 73% | 0.727 | S | S | * | * | | | trans | 67.9 | 146.3 | -174.3 | -46.9 | 172.1 | 0 | 0 | 0 | 112.2 | | |
| 306 | T | 27.3 | Very low | 28.6 | Very low | 121 Ų | 121 | 120.1 Ų | 120.1 | 74% | 0.742 | 72% | 0.72 | S | S | * | * | | | cis | -172.7 | 153.4 | -5.9 | 17.1 | 0 | 0 | 0 | 0 | 105.4 | | |
| 307 | S | 28.9 | Very low | 28.5 | Very low | 105 Ų | 105 | 120.1 Ų | 120.1 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | | | cis | -152.5 | 173.3 | 2.4 | -76.5 | 0 | 0 | 0 | 0 | 106.8 | | |
| 308 | A | 28.6 | Very low | 28.1 | Very low | 78 Ų | 78 | 121.3 Ų | 121.3 | 65% | 0.645 | 73% | 0.73 | S | S | * | * | | | cis | -141.8 | 142.3 | 5.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 309 | L | 29.5 | Very low | 28.8 | Very low | 142 Ų | 142 | 121.4 Ų | 121.4 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | | | | 55.7 | 120.8 | 90.5 | -55 | 175.5 | 0 | 0 | 0 | 113 | | |
| 310 | L | 29.4 | Very low | 29.2 | Very low | 153 Ų | 153 | 121.5 Ų | 121.5 | 80% | 0.801 | 73% | 0.728 | S | S | * | * | | | cis | -136.1 | 133.8 | 14.5 | -80.9 | 100.7 | 0 | 0 | 0 | 115.5 | | |
| 311 | C | 27.9 | Very low | 29.2 | Very low | 101 Ų | 101 | 123.1 Ų | 123.1 | 68% | 0.682 | 73% | 0.729 | S | S | * | * | | | | 51.1 | 94.2 | 125.8 | -54.9 | 0 | 0 | 0 | 0 | 122 | | |
| 312 | N | 40.5 | Very low | 29.3 | Very low | 152 Ų | 152 | 120.1 Ų | 120.1 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | | | | -49.9 | 147.7 | 115.8 | -160.8 | 18.3 | 0 | 0 | 0 | 109.5 | | |
| 313 | P | 37.1 | Very low | 29.5 | Very low | 85 Ų | 85 | 124.2 Ų | 124.2 | 55% | 0.552 | 73% | 0.733 | S | S | * | * | | | | -158.1 | -175 | 83.2 | 35.8 | -11.7 | 0 | 0 | 0 | 117.1 | | |
| 314 | Q | 29.8 | Very low | 29.6 | Very low | 150 Ų | 150 | 121.7 Ų | 121.7 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | | | trans | 75.8 | 137.4 | 164 | -35.1 | -58.9 | -18.7 | 0 | 0 | 116.9 | | |
| 315 | L | 27.5 | Very low | 29.8 | Very low | 129 Ų | 129 | 122.7 Ų | 122.7 | 68% | 0.675 | 73% | 0.732 | S | S | * | * | | | cis | -164.2 | 172 | -21.5 | -121.4 | 178.8 | 0 | 0 | 0 | 109.3 | | |
| 316 | N | 28.8 | Very low | 29.9 | Very low | 129 Ų | 129 | 121.1 Ų | 121.1 | 69% | 0.69 | 73% | 0.729 | S | S | * | * | | | trans | 63.6 | 110 | 152 | -71.8 | -22.4 | 0 | 0 | 0 | 121.1 | | |
| 317 | S | 26.8 | Very low | 29.9 | Very low | 101 Ų | 101 | 121 Ų | 121 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | | | | 66.9 | 115.7 | 125.2 | 69.5 | 0 | 0 | 0 | 0 | 121.7 | | |
| 318 | C | 24.1 | Very low | 29.7 | Very low | 120 Ų | 120 | 120.4 Ų | 120.4 | 81% | 0.811 | 73% | 0.729 | S | S | * | * | | | trans | 74.8 | 147.8 | 146.3 | -60.6 | 0 | 0 | 0 | 0 | 118.6 | | |
| 319 | P | 42.7 | Very low | 29.5 | Very low | 117 Ų | 117 | 122.2 Ų | 122.2 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | | | trans | -69.1 | 161.6 | 170.9 | 33.7 | -37.7 | 0 | 0 | 0 | 110.4 | | |
| 320 | P | 31.7 | Very low | 29.3 | Very low | 105 Ų | 105 | 121.1 Ų | 121.1 | 68% | 0.682 | 74% | 0.735 | S | S | * | * | | | cis | -148.3 | -167.5 | 35 | 38 | -14.8 | 0 | 0 | 0 | 116.7 | | |
| 321 | N | 26.7 | Very low | 29.2 | Very low | 135 Ų | 135 | 124 Ų | 124 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | | | trans | 76.1 | 139.5 | 136.6 | -86.7 | -10 | 0 | 0 | 0 | 123.8 | | |
| 322 | I | 27.1 | Very low | 29.1 | Very low | 132 Ų | 132 | 126.9 Ų | 126.9 | 68% | 0.677 | 74% | 0.738 | S | S | * | * | | | trans | 64.3 | 99.6 | 144.3 | -55.8 | 158.2 | 0 | 0 | 0 | 118.2 | | |
| 323 | I | 27.6 | Very low | 28.4 | Very low | 183 Ų | 183 | 125 Ų | 125 | 94% | 0.938 | 73% | 0.728 | S | S | * | * | | | | -148.8 | 132.6 | 111.7 | -44.1 | 179 | 0 | 0 | 0 | 106.2 | | |
| 324 | G | 29.3 | Very low | 28.2 | Very low | 62 Ų | 62 | 127.7 Ų | 127.7 | 64% | 0.639 | 74% | 0.737 | S | S | * | * | S | Bend | cis | -158 | 152.5 | -15.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 325 | S | 28.3 | Very low | 28.1 | Very low | 123 Ų | 123 | 128.2 Ų | 128.2 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | | | | -141.5 | 150.1 | 63 | 42.3 | 0 | 0 | 0 | 0 | 113 | | |
| 326 | V | 28.9 | Very low | 28.2 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | | | trans | -81.6 | 128.5 | -174.9 | -176.7 | 0 | 0 | 0 | 0 | 110.8 | S328 | V326-S328 PolarHBondContact O-N 3.16Š|
| 327 | S | 25.8 | Very low | 28.1 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | | | trans | -74 | 103.3 | 173.3 | 57 | 0 | 0 | 0 | 0 | 112.2 | | |
| 328 | S | 25.8 | Very low | 28.4 | Very low | 93 Ų | 93 | 129.6 Ų | 129.6 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | | | trans | -166.4 | 119.6 | 160.6 | 56.3 | 0 | 0 | 0 | 0 | 114.3 | V326 | V326-S328 PolarHBondContact O-N 3.16Š|
| 329 | C | 24 | Very low | 28.6 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 78% | 0.784 | 73% | 0.732 | S | S | * | * | | | trans | 51 | 159.4 | 135.6 | -64 | 0 | 0 | 0 | 0 | 122.6 | | |
| 330 | T | 26.6 | Very low | 27.9 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | | | trans | 61.9 | 105.8 | 160.8 | 40.6 | 0 | 0 | 0 | 0 | 116.5 | | |
| 331 | R | 25.3 | Very low | 27.6 | Very low | 212 Ų | 212 | 132.5 Ų | 132.5 | 80% | 0.8 | 73% | 0.732 | S | S | * | * | | | | 77.3 | 142.7 | 72.9 | -82.8 | -169 | -178.4 | 163.1 | 0.1 | 112.9 | | |
| 332 | H | 26.9 | Very low | 27.6 | Very low | 162 Ų | 162 | 131.7 Ų | 131.7 | 75% | 0.75 | 73% | 0.732 | S | S | * | * | | | trans | 69.1 | 145.3 | 168.9 | -65.4 | -62 | 0 | 0 | 0 | 115.2 | | |
| 333 | N | 26.7 | Very low | 27.6 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 60% | 0.604 | 74% | 0.735 | S | S | * | * | | | cis | -160.8 | -165.1 | -23.9 | -164.7 | 15.6 | 0 | 0 | 0 | 106.7 | | |
| 334 | L | 32.7 | Very low | 27.5 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | | | trans | 77.8 | 120.2 | 172 | -45.5 | 172.9 | 0 | 0 | 0 | 110.5 | | |
| 335 | Q | 27.6 | Very low | 27.7 | Very low | 161 Ų | 161 | 135 Ų | 135 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | | | cis | 61.6 | 136.2 | 41 | -43.8 | 168.2 | -84.3 | 0 | 0 | 111 | | |
| 336 | S | 28.2 | Very low | 27.7 | Very low | 89 Ų | 89 | 134.9 Ų | 134.9 | 62% | 0.622 | 72% | 0.718 | S | S | * | * | | | cis | -129.1 | 169 | 10.1 | 61 | 0 | 0 | 0 | 0 | 112.6 | N338 | S336-N338 PolarHBondContact O-N 3.3Š|
| 337 | E | 26.8 | Very low | 27.9 | Very low | 158 Ų | 158 | 133.8 Ų | 133.8 | 74% | 0.738 | 72% | 0.715 | S | S | * | * | | | | -1 | 118.4 | 129.7 | -53.7 | 157 | 142 | 0 | 0 | 114.7 | | |
| 338 | N | 33.8 | Very low | 28.3 | Very low | 141 Ų | 141 | 135.4 Ų | 135.4 | 75% | 0.754 | 71% | 0.71 | S | S | * | * | | | | -153.9 | 121.4 | 110.7 | -87.9 | -46.7 | 0 | 0 | 0 | 107.9 | S336 | S336-N338 PolarHBondContact O-N 3.3Š|
| 339 | N | 27.5 | Very low | 28.7 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 61% | 0.61 | 71% | 0.713 | S | S | * | * | | | | 80 | 125.1 | 63.3 | -84.8 | -43.8 | 0 | 0 | 0 | 113.1 | | |
| 340 | Y | 28.5 | Very low | 28.9 | Very low | 220 Ų | 220 | 137.4 Ų | 137.4 | 86% | 0.863 | 71% | 0.71 | S | S | * | * | | | trans | 68 | 154.2 | 163.5 | -73.6 | -131.7 | 0 | 0 | 0 | 116.6 | | |
| 341 | A | 26.5 | Very low | 29.2 | Very low | 70 Ų | 70 | 139.7 Ų | 139.7 | 58% | 0.579 | 72% | 0.716 | S | S | * | * | | | cis | 172 | 168.9 | -36.6 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 342 | T | 25.9 | Very low | 29.3 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 72% | 0.718 | 71% | 0.713 | S | S | * | * | | | trans | 68.1 | 132.9 | 146.4 | 36.9 | 0 | 0 | 0 | 0 | 121.7 | | |
| 343 | I | 27.2 | Very low | 29.4 | Very low | 146 Ų | 146 | 134.3 Ų | 134.3 | 75% | 0.749 | 72% | 0.717 | S | S | * | * | | | trans | 80 | 112.1 | 143.9 | -67.2 | 164.2 | 0 | 0 | 0 | 115.4 | | |
| 344 | R | 25.3 | Very low | 29.6 | Very low | 209 Ų | 209 | 134.3 Ų | 134.3 | 79% | 0.789 | 73% | 0.726 | S | S | * | * | | | | 72.8 | 137.7 | 82.9 | -117.6 | 179.5 | 174.1 | 136.3 | 1.7 | 111.5 | D346 | R344-D346 IonicContact NE-OD2 3.67Š|
| 345 | S | 33.3 | Very low | 29.7 | Very low | 91 Ų | 91 | 132.6 Ų | 132.6 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | | | cis | -147.5 | 152.2 | 43.4 | -89.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 346 | D | 29.1 | Very low | 29.8 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 65% | 0.652 | 72% | 0.721 | S | S | * | * | | | | 54.8 | 136.9 | 89.5 | -36 | -59.3 | 0 | 0 | 0 | 113.1 | R344 | R344-D346 IonicContact NE-OD2 3.67Š|
| 347 | S | 32.6 | Very low | 29.8 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | | | cis | -125.6 | -149.1 | 9.3 | 47.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 348 | E | 34.5 | Very low | 29.9 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | | | cis | -166.5 | -179.1 | 4.4 | -143.6 | 160.7 | -85.7 | 0 | 0 | 113.2 | | |
| 349 | N | 33.7 | Very low | 29.7 | Very low | 133 Ų | 133 | 132.9 Ų | 132.9 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | | | trans | 58.8 | 67.2 | 153.6 | -63.3 | -36.7 | 0 | 0 | 0 | 121.1 | | |
| 350 | T | 28.2 | Very low | 29.8 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | | | trans | -53.6 | 152 | 143.6 | 51.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 351 | I | 33.4 | Very low | 29.9 | Very low | 169 Ų | 169 | 128 Ų | 128 | 87% | 0.867 | 72% | 0.724 | S | S | * | * | | | trans | -138 | 137.1 | 138.5 | -68.4 | -168.8 | 0 | 0 | 0 | 109.1 | | |
| 352 | N | 27.1 | Very low | 30 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 74% | 0.738 | 72% | 0.723 | S | S | * | * | | | trans | -89.2 | 173.9 | 179.7 | -82.2 | -25.1 | 0 | 0 | 0 | 111 | | |
| 353 | C | 29.6 | Very low | 29.9 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 83% | 0.831 | 73% | 0.727 | S | S | * | * | | | cis | -161.2 | 156.2 | 48.7 | -63.9 | 0 | 0 | 0 | 0 | 115 | | |
| 354 | S | 31.2 | Very low | 29.9 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | | | trans | -86.8 | -153.6 | 158 | -36.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 355 | P | 34.8 | Very low | 29.9 | Very low | 106 Ų | 106 | 124.4 Ų | 124.4 | 69% | 0.688 | 72% | 0.721 | S | S | * | * | | | cis | -144.9 | -160.9 | 17.1 | 43.8 | -21.2 | 0 | 0 | 0 | 116.3 | | |
| 356 | V | 27.8 | Very low | 29.5 | Very low | 116 Ų | 116 | 125.1 Ų | 125.1 | 70% | 0.703 | 73% | 0.726 | S | S | * | * | | | trans | 78 | 138.6 | 155.9 | 166.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 357 | E | 28.9 | Very low | 29.3 | Very low | 160 Ų | 160 | 123.5 Ų | 123.5 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | | | cis | 144.7 | 161.4 | -24.3 | -75.9 | 144.2 | -120 | 0 | 0 | 109.5 | | |
| 358 | E | 29.3 | Very low | 29 | Very low | 186 Ų | 186 | 125 Ų | 125 | 87% | 0.869 | 73% | 0.734 | S | S | * | * | | | cis | -148.4 | -59.9 | 18 | -169.9 | -176.1 | 169.3 | 0 | 0 | 116 | | |
| 359 | S | 29.9 | Very low | 28.6 | Very low | 93 Ų | 93 | 124.2 Ų | 124.2 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | | | trans | -154.3 | 170 | -157.1 | 59.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 360 | S | 30 | Very low | 28.4 | Very low | 91 Ų | 91 | 123.1 Ų | 123.1 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | | | cis | -168.4 | -176.9 | -13.3 | 50.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 361 | D | 30.6 | Very low | 28.4 | Very low | 139 Ų | 139 | 125.1 Ų | 125.1 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | | | trans | 71.6 | 167.5 | 156 | -70.2 | -66.3 | 0 | 0 | 0 | 121.4 | | |
| 362 | S | 27.1 | Very low | 28 | Very low | 81 Ų | 81 | 122.1 Ų | 122.1 | 57% | 0.566 | 75% | 0.749 | S | S | * | * | | | | -167.1 | 168.9 | -66.2 | 51.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 363 | I | 24.9 | Very low | 27.9 | Very low | 155 Ų | 155 | 119.7 Ų | 119.7 | 80% | 0.795 | 75% | 0.749 | S | S | * | * | | | trans | 73.1 | 160.2 | 163.1 | -25.6 | -178.8 | 0 | 0 | 0 | 118.9 | | |
| 364 | V | 26.8 | Very low | 28 | Very low | 117 Ų | 117 | 121 Ų | 121 | 71% | 0.709 | 75% | 0.747 | S | S | * | * | | | trans | 98.5 | 72.2 | 156.8 | -161.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 365 | T | 26.1 | Very low | 27.8 | Very low | 115 Ų | 115 | 123.1 Ų | 123.1 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | | | | 44.8 | 125 | 124.9 | 64.5 | 0 | 0 | 0 | 0 | 124.1 | | |
| 366 | S | 24.3 | Very low | 27.4 | Very low | 106 Ų | 106 | 124.1 Ų | 124.1 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | | | | 71.5 | 140.2 | 123.7 | 72.6 | 0 | 0 | 0 | 0 | 123.3 | | |
| 367 | A | 25.2 | Very low | 27.4 | Very low | 88 Ų | 88 | 126.9 Ų | 126.9 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | | | trans | 68.8 | 146.2 | 151.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 368 | T | 25.1 | Very low | 27.3 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | | | cis | -163.7 | 171.2 | -5.5 | 12.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 369 | V | 26.9 | Very low | 27.1 | Very low | 136 Ų | 136 | 126.9 Ų | 126.9 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | | | trans | 61.2 | 158.3 | 174.9 | -108.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 370 | S | 29.2 | Very low | 26.9 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | | | cis | -135.9 | 158.9 | 3.6 | -82.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 371 | N | 27.6 | Very low | 26.9 | Very low | 160 Ų | 160 | 130.8 Ų | 130.8 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | | | trans | -72.1 | 170.6 | 165.5 | -59.8 | -44.1 | 0 | 0 | 0 | 112.4 | | |
| 372 | A | 25.8 | Very low | 26.7 | Very low | 106 Ų | 106 | 132 Ų | 132 | 88% | 0.876 | 77% | 0.768 | S | S | * | * | | | trans | 78.4 | 83.9 | 152.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 373 | A | 26.2 | Very low | 26.7 | Very low | 88 Ų | 88 | 135.6 Ų | 135.6 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | -159.2 | 132.8 | 139 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 374 | D | 29.9 | Very low | 26.8 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | | | cis | -132.2 | 147.4 | -9.3 | -92.5 | -49.2 | 0 | 0 | 0 | 111.3 | | |
| 375 | L | 27.3 | Very low | 27 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | | | trans | -144.4 | 55.2 | -179.7 | -152.5 | 167.3 | 0 | 0 | 0 | 110.4 | | |
| 376 | I | 25.8 | Very low | 27 | Very low | 127 Ų | 127 | 136 Ų | 136 | 65% | 0.651 | 77% | 0.77 | S | S | * | * | | | trans | -130.9 | 100.2 | 170.5 | -61.4 | 91.6 | 0 | 0 | 0 | 109.9 | | |
| 377 | H | 29.2 | Very low | 27.2 | Very low | 174 Ų | 174 | 138.4 Ų | 138.4 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | S | Bend | | -155.1 | 32.4 | 126.3 | -128.9 | -69.8 | 0 | 0 | 0 | 113.3 | | |
| 378 | R | 26.6 | Very low | 27.5 | Very low | 222 Ų | 222 | 139.8 Ų | 139.8 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -122 | 123.8 | 169.6 | -166.9 | 175 | -174.1 | 175.3 | 2.4 | 107.2 | | |
| 379 | T | 25.7 | Very low | 27.6 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 77.4 | 152.5 | -165.2 | 73.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 380 | V | 24.9 | Very low | 27.7 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | 68.7 | 74.5 | -175.4 | -161.9 | 0 | 0 | 0 | 0 | 116.6 | | |
| 381 | V | 29.1 | Very low | 27.6 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | | | | -140.1 | 75.9 | 120.1 | -173.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 382 | E | 26.1 | Very low | 27.7 | Very low | 165 Ų | 165 | 140 Ų | 140 | 77% | 0.771 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -144.9 | 110.7 | 170.7 | -173.3 | 178.2 | -143.2 | 0 | 0 | 106.4 | | |
| 383 | Q | 28 | Very low | 27.8 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 73% | 0.729 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 62.8 | 148.3 | -162.9 | -35.2 | -64.5 | -59.9 | 0 | 0 | 112.5 | | |
| 384 | L | 27.4 | Very low | 28.2 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 61% | 0.613 | 75% | 0.747 | S | S | * | * | | | cis | -148.8 | 142.6 | -13.3 | -148.4 | 65.1 | 0 | 0 | 0 | 104.5 | L386 | L384-L386 HydrophobicContact CD2-CD1 3.65Å; L384-L386 HydrophobicContact CD2-CG 4.38Å; L384-L386 HydrophobicContact CG-CD1 3.96Å; L384-L386 HydrophobicContact CG-CG 4.15Å |
| 385 | D | 30.4 | Very low | 28.2 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | | | | -162.4 | 131.3 | 83.5 | -83.3 | -30.3 | 0 | 0 | 0 | 108.8 | | |
| 386 | L | 27.1 | Very low | 28.2 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 72% | 0.723 | 74% | 0.739 | S | S | * | * | | | | 62.8 | 75.1 | 72.6 | -72.1 | 174.7 | 0 | 0 | 0 | 114.7 | L384 | L384-L386 HydrophobicContact CD2-CD1 3.65Å; L384-L386 HydrophobicContact CD2-CG 4.38Å; L384-L386 HydrophobicContact CG-CD1 3.96Å; L384-L386 HydrophobicContact CG-CG 4.15Å |
| 387 | L | 28.7 | Very low | 28.3 | Very low | 157 Ų | 157 | 140 Ų | 140 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | | | trans | -147.6 | 123.5 | 135 | -108.3 | 175.3 | 0 | 0 | 0 | 112.2 | | |
| 388 | T | 31.5 | Very low | 28.3 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 72% | 0.718 | 74% | 0.735 | S | S | * | * | | | trans | 46.9 | 96.2 | 158.4 | 49 | 0 | 0 | 0 | 0 | 119.8 | | |
| 389 | T | 25.8 | Very low | 28.6 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | | | | -18.8 | 141 | 128.1 | 51.7 | 0 | 0 | 0 | 0 | 116.6 | | |
| 390 | V | 29.2 | Very low | 28.8 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | | | | 170.8 | 106.8 | 121.4 | 153.3 | 0 | 0 | 0 | 0 | 111 | | |
| 391 | Q | 26.8 | Very low | 29 | Very low | 162 Ų | 162 | 133.9 Ų | 133.9 | 76% | 0.757 | 72% | 0.718 | S | S | * | * | | | trans | 47.1 | 148.3 | 130.9 | -104.5 | 175.6 | -29.7 | 0 | 0 | 124.5 | | |
| 392 | N | 29.6 | Very low | 29.1 | Very low | 122 Ų | 122 | 134 Ų | 134 | 65% | 0.652 | 71% | 0.714 | S | S | * | * | | | trans | 86.3 | 87.7 | 147.3 | -59.4 | -19.8 | 0 | 0 | 0 | 121.4 | | |
| 393 | S | 28.8 | Very low | 29.3 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 83% | 0.832 | 71% | 0.711 | S | S | * | * | | | | 64.8 | 154.6 | 119.1 | -69.7 | 0 | 0 | 0 | 0 | 122.6 | | |
| 394 | P | 35.3 | Very low | 29.4 | Very low | 78 Ų | 78 | 132 Ų | 132 | 51% | 0.506 | 71% | 0.712 | S | S | . | * | | | trans | -111.4 | 163.5 | -160.1 | 41 | -32.4 | 0 | 0 | 0 | 114.8 | | |
| 395 | H | 29.2 | Very low | 29.3 | Very low | 175 Ų | 175 | 131.1 Ų | 131.1 | 81% | 0.81 | 72% | 0.716 | S | S | * | * | | | trans | -154.5 | 141.2 | 149 | -110.3 | -73.4 | 0 | 0 | 0 | 112.7 | | |
| 396 | N | 27.2 | Very low | 29.1 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | | | trans | 60.6 | 131.5 | 159.3 | -69.6 | 26.1 | 0 | 0 | 0 | 118.4 | | |
| 397 | I | 27.9 | Very low | 29.1 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 70% | 0.703 | 72% | 0.718 | S | S | * | * | | | | 69.5 | 116.8 | 59.5 | -62.6 | 168.8 | 0 | 0 | 0 | 108.4 | | |
| 398 | D | 29.8 | Very low | 28.9 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 67% | 0.668 | 72% | 0.722 | S | S | * | * | | | cis | -154.6 | 163.2 | 41.7 | -136.1 | -16 | 0 | 0 | 0 | 119.7 | | |
| 399 | H | 32.1 | Very low | 28.8 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 63% | 0.625 | 72% | 0.722 | S | S | * | * | | | trans | 42.4 | 127.8 | 146 | -83.8 | -45.7 | 0 | 0 | 0 | 126.3 | | |
| 400 | N | 29.6 | Very low | 28.8 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 63% | 0.631 | 73% | 0.728 | S | S | * | * | | | trans | 66.9 | 152.3 | 130.5 | -57.5 | -12.8 | 0 | 0 | 0 | 120 | | |
| 401 | N | 30.2 | Very low | 28.7 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | | | cis | -170.8 | 138.2 | -23.5 | -101.8 | -16.1 | 0 | 0 | 0 | 105 | | |
| 402 | D | 30.5 | Very low | 28.8 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | | | | 175.8 | 160.2 | 127 | -115.9 | -22.4 | 0 | 0 | 0 | 117.8 | | |
| 403 | L | 31.3 | Very low | 28.7 | Very low | 135 Ų | 135 | 136.5 Ų | 136.5 | 71% | 0.707 | 74% | 0.736 | S | S | * | * | | | trans | 69.5 | 105.4 | 151.8 | -65.4 | 161.3 | 0 | 0 | 0 | 122.7 | | |
| 404 | L | 28.3 | Very low | 28.9 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | | | | 57.8 | 108.5 | 129 | -58.1 | 175.5 | 0 | 0 | 0 | 120.8 | | |
| 405 | S | 25.5 | Very low | 28.5 | Very low | 99 Ų | 99 | 137.5 Ų | 137.5 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | | | | 176.1 | 142.2 | 93.9 | 46.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 406 | F | 27.4 | Very low | 28.6 | Very low | 195 Ų | 195 | 134.4 Ų | 134.4 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | | | trans | -151 | 157.8 | 157.6 | -114.2 | -77 | 0 | 0 | 0 | 111.8 | | |
| 407 | T | 25.7 | Very low | 28.5 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | | | trans | -106.6 | -175.2 | -173.4 | 47 | 0 | 0 | 0 | 0 | 112.2 | | |
| 408 | Y | 25 | Very low | 28.4 | Very low | 227 Ų | 227 | 134.9 Ų | 134.9 | 89% | 0.89 | 75% | 0.747 | S | S | * | * | | | trans | 80.8 | 171.1 | 169.1 | -83.9 | -84.2 | 0 | 0 | 0 | 119.4 | | |
| 409 | V | 29.5 | Very low | 28.3 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | | | trans | 76 | 75.3 | -178 | -165.6 | 0 | 0 | 0 | 0 | 115.4 | N411 | V409-N411 HydrophobicContact CG1-CB 3.86Å; V409-N411 PolarHBondContact O-N 3.38Å |
| 410 | T | 25.1 | Very low | 28.1 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 91% | 0.908 | 75% | 0.754 | S | S | * | * | | | trans | -69.2 | 113.5 | 148.8 | 48.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 411 | N | 27.7 | Very low | 28 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 66% | 0.663 | 76% | 0.758 | S | S | * | * | | | trans | -142.1 | 88.6 | 174.8 | -159.8 | 9.7 | 0 | 0 | 0 | 110.9 | V409 | V409-N411 HydrophobicContact CG1-CB 3.86Å; V409-N411 PolarHBondContact O-N 3.38Å |
| 412 | C | 28.6 | Very low | 28 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 90% | 0.899 | 76% | 0.757 | S | S | * | * | | | trans | -132.6 | 55.5 | -177.8 | -72 | 0 | 0 | 0 | 0 | 112.4 | | |
| 413 | N | 28.5 | Very low | 27.9 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | | | trans | -83.1 | 139.6 | 135.9 | -63.9 | -52.2 | 0 | 0 | 0 | 105.2 | | |
| 414 | T | 31.8 | Very low | 27.9 | Very low | 126 Ų | 126 | 134.1 Ų | 134.1 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | | | cis | -154 | 153.5 | 31.9 | 47.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 415 | A | 27.2 | Very low | 27.9 | Very low | 93 Ų | 93 | 135.5 Ų | 135.5 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | trans | 73.2 | 157 | 146.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 416 | P | 32.6 | Very low | 28 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | | | trans | -109.4 | -152.6 | -175.8 | 40 | -25.2 | 0 | 0 | 0 | 112 | | |
| 417 | I | 24.9 | Very low | 28.1 | Very low | 155 Ų | 155 | 135 Ų | 135 | 80% | 0.795 | 76% | 0.76 | S | S | * | * | | | trans | 86.6 | 132.9 | 175.4 | -56 | 163.4 | 0 | 0 | 0 | 112.6 | | |
| 418 | V | 26 | Very low | 28.3 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 67% | 0.667 | 77% | 0.769 | S | S | * | * | | | cis | -164.7 | 179.1 | -22.8 | 91.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 419 | E | 26.5 | Very low | 28.5 | Very low | 164 Ų | 164 | 135.2 Ų | 135.2 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | trans | 58.7 | 109.5 | 169.7 | -79.4 | 146 | -141.8 | 0 | 0 | 117.1 | | |
| 420 | S | 28.4 | Very low | 28.5 | Very low | 96 Ų | 96 | 139.1 Ų | 139.1 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | | | | 68.8 | 110.9 | 60.1 | 82.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 421 | N | 28.2 | Very low | 28.6 | Very low | 135 Ų | 135 | 136.5 Ų | 136.5 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | | | trans | -179.1 | 130.4 | 132.4 | -97.4 | -58.5 | 0 | 0 | 0 | 107.8 | | |
| 422 | N | 29.2 | Very low | 28.7 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 68% | 0.684 | 77% | 0.766 | S | S | * | * | | | | 55.8 | 125.4 | 92 | -72.6 | -22.7 | 0 | 0 | 0 | 112.3 | | |
| 423 | N | 29.1 | Very low | 29 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 67% | 0.668 | 76% | 0.762 | S | S | * | * | | | cis | -162.3 | 169.2 | 35.4 | -105.9 | -21.8 | 0 | 0 | 0 | 113.6 | | |
| 424 | N | 30.8 | Very low | 29 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | | | trans | 53.2 | 121.9 | 149.2 | -56.2 | -3.7 | 0 | 0 | 0 | 120.5 | | |
| 425 | N | 27.5 | Very low | 29.3 | Very low | 172 Ų | 172 | 137 Ų | 137 | 92% | 0.92 | 76% | 0.756 | S | S | * | * | | | trans | -132.5 | 63.5 | 150 | -103.1 | -23.4 | 0 | 0 | 0 | 109.6 | | |
| 426 | E | 29.1 | Very low | 29.7 | Very low | 177 Ų | 177 | 139.6 Ų | 139.6 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | | | trans | -112.7 | 160.6 | 156.5 | -73.1 | -164.6 | 135.8 | 0 | 0 | 108.7 | | |
| 427 | S | 29.7 | Very low | 29.9 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | trans | 67 | 125 | -156.4 | 77.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 428 | M | 29.2 | Very low | 30.2 | Very low | 174 Ų | 174 | 144.4 Ų | 144.4 | 86% | 0.857 | 75% | 0.753 | S | S | * | * | | | cis | 60.5 | 94.3 | 43.3 | -58.1 | -179.5 | 156.9 | 0 | 0 | 113.2 | | |
| 429 | N | 28.1 | Very low | 30.7 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | | | | -178.5 | 91.2 | 125.9 | -89.9 | -18.5 | 0 | 0 | 0 | 113.2 | | |
| 430 | K | 30.1 | Very low | 30.9 | Very low | 203 Ų | 203 | 144.5 Ų | 144.5 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | | | trans | -122.2 | 140.8 | 132.1 | -74.9 | -175.8 | 177.9 | -177.9 | 0 | 104.7 | | |
| 431 | S | 28.1 | Very low | 31.2 | Very low | 93 Ų | 93 | 146.5 Ų | 146.5 | 65% | 0.65 | 74% | 0.744 | S | S | * | * | | | cis | -178 | -179.5 | -9.1 | 43.8 | 0 | 0 | 0 | 0 | 105.3 | | |
| 432 | I | 29.3 | Very low | 31.3 | Very low | 139 Ų | 139 | 146.9 Ų | 146.9 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | | | trans | 76.3 | 93.2 | 166.5 | -54.4 | 161.5 | 0 | 0 | 0 | 114.2 | | |
| 433 | D | 34 | Very low | 31.5 | Very low | 152 Ų | 152 | 148.2 Ų | 148.2 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | | | | 72.2 | 134.6 | 129.1 | -49.4 | -13.1 | 0 | 0 | 0 | 123.3 | | |
| 434 | D | 28.7 | Very low | 31.7 | Very low | 153 Ų | 153 | 150.5 Ų | 150.5 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | trans | -57.4 | 174.8 | 163 | -98.3 | -63.2 | 0 | 0 | 0 | 113.9 | | |
| 435 | P | 38.6 | Very low | 32.1 | Very low | 91 Ų | 91 | 149.5 Ų | 149.5 | 59% | 0.591 | 75% | 0.751 | S | S | * | * | | | cis | -136.3 | -170.9 | -0.9 | 17.6 | 10 | 0 | 0 | 0 | 115.4 | | |
| 436 | H | 36 | Very low | 32.3 | Very low | 149 Ų | 149 | 147.2 Ų | 147.2 | 69% | 0.69 | 74% | 0.743 | S | S | * | * | | | trans | 107.3 | 120.9 | 147.4 | -69.8 | -71.4 | 0 | 0 | 0 | 122.1 | | |
| 437 | H | 37.2 | Very low | 32.4 | Very low | 156 Ų | 156 | 144.8 Ų | 144.8 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | | | trans | 62 | 90.6 | 141.8 | -63.9 | -53.5 | 0 | 0 | 0 | 123 | | |
| 438 | R | 31.2 | Very low | 32.4 | Very low | 210 Ų | 210 | 146.9 Ų | 146.9 | 79% | 0.792 | 73% | 0.732 | S | S | * | * | | | | 38.9 | 124.7 | 108 | -89.2 | -175.4 | 135.4 | 156 | 0.4 | 120.2 | | |
| 439 | H | 35.1 | Very low | 32.5 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 59% | 0.588 | 72% | 0.72 | S | S | * | * | | | trans | 75.2 | 101.7 | 137.8 | -64 | -51.1 | 0 | 0 | 0 | 120.8 | | |
| 440 | Q | 31.6 | Very low | 32.6 | Very low | 149 Ų | 149 | 144.6 Ų | 144.6 | 70% | 0.696 | 72% | 0.723 | S | S | * | * | | | | 81.5 | 132.7 | 118.4 | -79.3 | 178.6 | -67.6 | 0 | 0 | 122.3 | | |
| 441 | H | 33.9 | Very low | 32.8 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 63% | 0.634 | 72% | 0.718 | S | S | * | * | | | trans | 73 | 114.8 | 148.7 | -71.9 | -60.6 | 0 | 0 | 0 | 121.4 | | |
| 442 | Q | 31.8 | Very low | 33.1 | Very low | 144 Ų | 144 | 139.1 Ų | 139.1 | 67% | 0.673 | 72% | 0.722 | S | S | * | * | | | | 76.3 | 120.8 | 129.1 | -69.7 | 171.7 | -15.2 | 0 | 0 | 120.8 | | |
| 443 | Q | 32.8 | Very low | 33.2 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 73% | 0.729 | 72% | 0.724 | S | S | * | * | | | trans | 65.7 | 144.4 | 134.4 | -57.9 | 169.5 | 15.9 | 0 | 0 | 118 | | |
| 444 | Q | 32.4 | Very low | 33 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | | | cis | -153.5 | 174.1 | -12.3 | -114.5 | -176.5 | 6 | 0 | 0 | 108.1 | | |
| 445 | P | 39 | Very low | 33.2 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | | | trans | -94.6 | -143 | -167.4 | 39.1 | -36.4 | 0 | 0 | 0 | 113.7 | | |
| 446 | V | 32.5 | Very low | 32.8 | Very low | 125 Ų | 125 | 144 Ų | 144 | 76% | 0.758 | 73% | 0.734 | S | S | * | * | | | trans | 92.4 | 129.4 | 170.7 | 178.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 447 | I | 30.4 | Very low | 32.6 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 64% | 0.641 | 74% | 0.739 | S | S | * | * | | | cis | -175 | 167.5 | -7.4 | -157.6 | 167.9 | 0 | 0 | 0 | 113.1 | | |
| 448 | H | 31.2 | Very low | 32.1 | Very low | 151 Ų | 151 | 141 Ų | 141 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | | | trans | 64.6 | 155.2 | 155.3 | -78.3 | -53.3 | 0 | 0 | 0 | 121.4 | | |
| 449 | T | 31.1 | Very low | 32.2 | Very low | 100 Ų | 100 | 139 Ų | 139 | 61% | 0.613 | 73% | 0.734 | S | S | * | * | | | cis | -164.2 | 160.1 | -39.9 | 4.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 450 | M | 29.5 | Very low | 31.9 | Very low | 192 Ų | 192 | 138.6 Ų | 138.6 | 95% | 0.946 | 74% | 0.741 | S | S | * | * | | | trans | 62.9 | 139.8 | 152.1 | -68.2 | 176.5 | -172.1 | 0 | 0 | 120.5 | | |
| 451 | G | 34.2 | Very low | 32.1 | Very low | 75 Ų | 75 | 138.6 Ų | 138.6 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | | | trans | 167.6 | 123.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 452 | S | 34.6 | Very low | 32.2 | Very low | 107 Ų | 107 | 137 Ų | 137 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | | | trans | -117.6 | 149.2 | -165.3 | -55.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 453 | N | 31.5 | Very low | 32.4 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | | | trans | 69.4 | 132.9 | 148.5 | -62.4 | -11.1 | 0 | 0 | 0 | 120.9 | | |
| 454 | N | 29.8 | Very low | 32.4 | Very low | 142 Ų | 142 | 138.5 Ų | 138.5 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | | | trans | 62.5 | 122.1 | 146 | -55.5 | -18.7 | 0 | 0 | 0 | 119.5 | | |
| 455 | I | 33.8 | Very low | 32.3 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 86% | 0.862 | 75% | 0.752 | S | S | * | * | | | | -167.1 | 166.5 | 102.9 | -97.3 | 159.2 | 0 | 0 | 0 | 110.7 | | |
| 456 | K | 28.9 | Very low | 31.9 | Very low | 188 Ų | 188 | 137.9 Ų | 137.9 | 82% | 0.817 | 75% | 0.753 | S | S | * | * | | | trans | -85.1 | -172.2 | -174.6 | -121.6 | 176.3 | -178.9 | 179.9 | 0 | 112.5 | | |
| 457 | L | 31.7 | Very low | 31.8 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | | | trans | 78.7 | 124.1 | 172.5 | -57.4 | 113.5 | 0 | 0 | 0 | 113.6 | | |
| 458 | S | 27.5 | Very low | 31.8 | Very low | 89 Ų | 89 | 136 Ų | 136 | 62% | 0.622 | 76% | 0.756 | S | S | * | * | | | cis | 108.6 | 155.8 | 22.7 | 70.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 459 | Q | 33.1 | Very low | 31.7 | Very low | 169 Ų | 169 | 134.8 Ų | 134.8 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | | | trans | 78.5 | 103.4 | -177 | -67.4 | 167.5 | -42.7 | 0 | 0 | 113 | | |
| 460 | T | 29.8 | Very low | 31.6 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | | | | 69.7 | 118.4 | 83.5 | 59.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 461 | D | 33.8 | Very low | 31.7 | Very low | 150 Ų | 150 | 132.6 Ų | 132.6 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | | | | -160 | 175.1 | 68.1 | -93.8 | -43.2 | 0 | 0 | 0 | 114.2 | | |
| 462 | P | 36.7 | Very low | 31.5 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | | | trans | -104.5 | 164.3 | -165.1 | 39.3 | -35.3 | 0 | 0 | 0 | 115.6 | | |
| 463 | H | 36 | Very low | 31.4 | Very low | 177 Ų | 177 | 138.7 Ų | 138.7 | 82% | 0.819 | 75% | 0.751 | S | S | * | * | | | trans | -161.2 | 126.7 | 139.3 | -109 | -68.2 | 0 | 0 | 0 | 114.6 | | |
| 464 | H | 33.1 | Very low | 31.4 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | | | trans | 30.8 | 128.7 | 152.4 | -82.3 | -44.4 | 0 | 0 | 0 | 125.7 | | |
| 465 | Q | 29.6 | Very low | 31.5 | Very low | 166 Ų | 166 | 137.5 Ų | 137.5 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | | | | 106.1 | 145.7 | 126 | -79.4 | 171.1 | 20.6 | 0 | 0 | 122 | | |
| 466 | S | 31 | Very low | 31.2 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | | | trans | 72.6 | 69.6 | 163.7 | 25.5 | 0 | 0 | 0 | 0 | 121.4 | | |
| 467 | S | 29.6 | Very low | 31.2 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | | | | 61.5 | 140.6 | 114.2 | 60 | 0 | 0 | 0 | 0 | 124.6 | | |
| 468 | S | 31 | Very low | 30.9 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | | | trans | 63.3 | 112.9 | 162.6 | 43.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 469 | V | 30.4 | Very low | 30.9 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | | | cis | 69.2 | 119.9 | 43.1 | -169.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 470 | I | 28.2 | Very low | 30.7 | Very low | 137 Ų | 137 | 131.8 Ų | 131.8 | 70% | 0.703 | 74% | 0.739 | S | S | * | * | | | | -150 | 140.7 | 69.6 | -66.3 | 155.9 | 0 | 0 | 0 | 113 | | |
| 471 | P | 32.1 | Very low | 30.7 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 71% | 0.708 | 73% | 0.733 | S | S | * | * | | | trans | -114.5 | -178.1 | 151.5 | 38.1 | -28.9 | 0 | 0 | 0 | 113.4 | | |
| 472 | N | 30.1 | Very low | 30.6 | Very low | 141 Ų | 141 | 130 Ų | 130 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | | | trans | -111.2 | 154.4 | -152.5 | -152.5 | -2.9 | 0 | 0 | 0 | 114.8 | | |
| 473 | K | 31.5 | Very low | 30.3 | Very low | 168 Ų | 168 | 131.8 Ų | 131.8 | 73% | 0.73 | 73% | 0.728 | S | S | * | * | | | trans | 59.6 | 116.9 | 158.4 | -73.3 | -176 | 179.7 | -173.4 | 0 | 120.7 | | |
| 474 | N | 31.2 | Very low | 30 | Very low | 151 Ų | 151 | 130 Ų | 130 | 81% | 0.807 | 72% | 0.724 | S | S | * | * | | | | 164.5 | 165.3 | 102.2 | -96.4 | -6.5 | 0 | 0 | 0 | 112.5 | | |
| 475 | P | 33.3 | Very low | 29.9 | Very low | 106 Ų | 106 | 126.2 Ų | 126.2 | 69% | 0.688 | 72% | 0.715 | S | S | * | * | | | trans | -101.8 | -172.5 | -168.3 | 39.3 | -34.3 | 0 | 0 | 0 | 114.8 | | |
| 476 | I | 27.7 | Very low | 30 | Very low | 145 Ų | 145 | 125.5 Ų | 125.5 | 74% | 0.744 | 72% | 0.717 | S | S | * | * | | | trans | 108.7 | 92.5 | 163.3 | -62.2 | 163.3 | 0 | 0 | 0 | 116.1 | | |
| 477 | T | 27.5 | Very low | 30 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 73% | 0.73 | 72% | 0.72 | S | S | * | * | | | trans | 65.8 | 149.8 | 139 | 62.9 | 0 | 0 | 0 | 0 | 124.3 | | |
| 478 | S | 26.7 | Very low | 30.3 | Very low | 94 Ų | 94 | 128.3 Ų | 128.3 | 66% | 0.657 | 72% | 0.716 | S | S | * | * | | | trans | 77.7 | 101.7 | 139.1 | 54.6 | 0 | 0 | 0 | 0 | 120.7 | | |
| 479 | C | 26.8 | Very low | 30.3 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 72% | 0.723 | 72% | 0.715 | S | S | * | * | | | | 91.5 | 128.1 | 119.4 | -67.8 | 0 | 0 | 0 | 0 | 120.5 | | |
| 480 | F | 28.3 | Very low | 30 | Very low | 180 Ų | 180 | 130.1 Ų | 130.1 | 79% | 0.789 | 72% | 0.716 | S | S | * | * | | | trans | 57.9 | 132.9 | 134.3 | -76.8 | -105.9 | 0 | 0 | 0 | 118.8 | | |
| 481 | N | 30.6 | Very low | 30.2 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 62% | 0.615 | 72% | 0.719 | S | S | * | * | | | cis | -166.9 | -169.2 | -4.6 | -144.9 | 42 | 0 | 0 | 0 | 111.6 | | |
| 482 | D | 31.3 | Very low | 30.1 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 62% | 0.62 | 72% | 0.718 | S | S | * | * | | | trans | 81.2 | 117.9 | 147.9 | -63.4 | -31.4 | 0 | 0 | 0 | 121.2 | | |
| 483 | L | 29.7 | Very low | 30.2 | Very low | 141 Ų | 141 | 128.4 Ų | 128.4 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | | | | 45.6 | 127.6 | 117.6 | -54.5 | 169.1 | 0 | 0 | 0 | 116.9 | | |
| 484 | N | 30.8 | Very low | 30.5 | Very low | 139 Ų | 139 | 126.4 Ų | 126.4 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | | | cis | -174 | 174.8 | 41.3 | -111.4 | -18 | 0 | 0 | 0 | 106.8 | | |
| 485 | S | 30.3 | Very low | 30.4 | Very low | 75 Ų | 75 | 126.1 Ų | 126.1 | 52% | 0.524 | 71% | 0.714 | S | S | . | * | | | cis | 178.6 | 151.4 | -9.7 | 49.3 | 0 | 0 | 0 | 0 | 107.1 | | |
| 486 | N | 31.6 | Very low | 30.2 | Very low | 151 Ų | 151 | 125.9 Ų | 125.9 | 81% | 0.807 | 71% | 0.714 | S | S | * | * | | | trans | 66.6 | 152.4 | 158.9 | -53.3 | -9.9 | 0 | 0 | 0 | 116.2 | | |
| 487 | E | 32.5 | Very low | 30.3 | Very low | 169 Ų | 169 | 124.4 Ų | 124.4 | 79% | 0.79 | 71% | 0.708 | S | S | * | * | | | cis | -156.2 | -178.3 | -14.6 | -115.5 | -132.5 | 119.3 | 0 | 0 | 108.7 | | |
| 488 | P | 35.8 | Very low | 30.7 | Very low | 99 Ų | 99 | 125.6 Ų | 125.6 | 64% | 0.643 | 71% | 0.709 | S | S | * | * | | | trans | -92.1 | -132.4 | -163.3 | 39.2 | -37.9 | 0 | 0 | 0 | 115.1 | | |
| 489 | I | 29.5 | Very low | 30.8 | Very low | 144 Ų | 144 | 126.3 Ų | 126.3 | 74% | 0.738 | 71% | 0.705 | S | S | * | * | | | trans | 84.3 | 90.6 | -178.9 | -51.1 | 169.4 | 0 | 0 | 0 | 113.5 | | |
| 490 | T | 25.6 | Very low | 31.1 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 78% | 0.779 | 71% | 0.705 | S | S | * | * | | | | 66 | 113.2 | 74.1 | 69.6 | 0 | 0 | 0 | 0 | 117.4 | | |
| 491 | S | 31 | Very low | 31 | Very low | 111 Ų | 111 | 126.6 Ų | 126.6 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | | | trans | -160.3 | 105.9 | 159.2 | -44.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 492 | S | 31.2 | Very low | 30.8 | Very low | 98 Ų | 98 | 126.3 Ų | 126.3 | 69% | 0.685 | 70% | 0.7 | S | S | * | * | | | | 62 | 104.5 | 103 | 67.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 493 | I | 31.8 | Very low | 30.6 | Very low | 142 Ų | 142 | 128.8 Ų | 128.8 | 73% | 0.728 | 71% | 0.708 | S | S | * | * | | | | 68.9 | 114.1 | 69.6 | -62 | 165.5 | 0 | 0 | 0 | 112.2 | | |
| 494 | P | 36.6 | Very low | 30.3 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 81% | 0.812 | 71% | 0.714 | S | S | * | * | | | | -138.6 | 156.4 | 108.8 | 19.2 | 1.8 | 0 | 0 | 0 | 114.4 | | |
| 495 | H | 29.3 | Very low | 30 | Very low | 145 Ų | 145 | 130.9 Ų | 130.9 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | | | cis | -168.6 | 173.3 | -20.6 | -138.6 | -87 | 0 | 0 | 0 | 110.7 | | |
| 496 | C | 30 | Very low | 29.8 | Very low | 102 Ų | 102 | 132 Ų | 132 | 69% | 0.689 | 72% | 0.723 | S | S | * | * | | | trans | 76.2 | 111 | 164.3 | -62.2 | 0 | 0 | 0 | 0 | 116.4 | | |
| 497 | N | 28.8 | Very low | 29.6 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 61% | 0.61 | 72% | 0.721 | S | S | * | * | | | | 78.2 | 141 | 72.3 | -76.4 | 63.7 | 0 | 0 | 0 | 111.3 | | |
| 498 | I | 35.7 | Very low | 29.3 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | | | cis | -131.8 | 135.5 | 30.5 | -87.6 | 90.3 | 0 | 0 | 0 | 110.6 | | |
| 499 | D | 29.1 | Very low | 29.2 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 58% | 0.583 | 73% | 0.73 | S | S | * | * | | | | 30.9 | 151.1 | 119.8 | -33.2 | -52.6 | 0 | 0 | 0 | 119.2 | | |
| 500 | E | 33 | Very low | 29.5 | Very low | 156 Ų | 156 | 130.3 Ų | 130.3 | 73% | 0.729 | 73% | 0.73 | S | S | * | * | | | cis | -159.1 | 136.8 | 4.8 | -122.4 | 167.7 | 179.7 | 0 | 0 | 105.6 | | |
| 501 | N | 26.6 | Very low | 29.6 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | | | | 76.6 | 169.2 | 85.2 | -162.8 | 8 | 0 | 0 | 0 | 114.8 | | |
| 502 | I | 27.3 | Very low | 29.6 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 56% | 0.564 | 72% | 0.72 | S | S | * | * | | | trans | 81.5 | 105.4 | 160 | -54.4 | -179.1 | 0 | 0 | 0 | 119.1 | | |
| 503 | Q | 26 | Very low | 29.5 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | | | trans | 73.8 | 131.1 | 144.3 | -66.6 | 167.6 | 13.4 | 0 | 0 | 119.3 | | |
| 504 | F | 24.3 | Very low | 29.3 | Very low | 199 Ų | 199 | 132.1 Ų | 132.1 | 87% | 0.873 | 72% | 0.718 | S | S | * | * | | | | 79.5 | 152.1 | 59.4 | -93.3 | -88.7 | 0 | 0 | 0 | 114.6 | | |
| 505 | T | 23.7 | Very low | 28.9 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 76% | 0.761 | 71% | 0.708 | S | S | * | * | | | trans | 81 | 90.4 | 172.1 | 66 | 0 | 0 | 0 | 0 | 119.8 | | |
| 506 | S | 25.6 | Very low | 28.9 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 70% | 0.699 | 71% | 0.712 | S | S | * | * | | | | 36.6 | 133.8 | 120.4 | 59.2 | 0 | 0 | 0 | 0 | 123.3 | | |
| 507 | S | 27.6 | Very low | 28.8 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | | | trans | 68 | 146.9 | 146.1 | 65.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 508 | C | 27 | Very low | 28.7 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | | | cis | -150.8 | 162.6 | 37.9 | -71.1 | 0 | 0 | 0 | 0 | 115 | | |
| 509 | F | 33.9 | Very low | 28.3 | Very low | 186 Ų | 186 | 130.1 Ų | 130.1 | 82% | 0.816 | 71% | 0.714 | S | S | * | * | | | trans | -69.9 | 159.6 | 153.5 | -89.1 | -94.8 | 0 | 0 | 0 | 111.3 | | |
| 510 | P | 35.4 | Very low | 28.2 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | | | | -121.1 | 154.2 | 89.5 | -0.9 | 23.3 | 0 | 0 | 0 | 112.9 | | |
| 511 | H | 27.2 | Very low | 27.9 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 65% | 0.648 | 73% | 0.729 | S | S | * | * | | | | 51.7 | 134.7 | 76.1 | -66.2 | -101.7 | 0 | 0 | 0 | 113.3 | E513 | H511-E513 IonicContact ND1-OE1 3.4Å; H511-E513 PolarHBondContact ND1-OE1 2.81Å |
| 512 | S | 31.5 | Very low | 27.9 | Very low | 102 Ų | 102 | 132.2 Ų | 132.2 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | | | cis | -148.5 | 144.6 | 42.7 | -77.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 513 | E | 28.8 | Very low | 27.9 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 65% | 0.654 | 74% | 0.739 | S | S | * | * | | | | 61.3 | 138.1 | 77 | -64.7 | 178.3 | -161.9 | 0 | 0 | 114.2 | H511 | H511-E513 IonicContact ND1-OE1 3.4Å; H511-E513 PolarHBondContact ND1-OE1 2.81Å |
| 514 | L | 29.2 | Very low | 27.9 | Very low | 135 Ų | 135 | 132.5 Ų | 132.5 | 71% | 0.707 | 74% | 0.738 | S | S | * | * | | | cis | -163.6 | 170.9 | 2.2 | -110.5 | 164.4 | 0 | 0 | 0 | 110.7 | | |
| 515 | N | 27.7 | Very low | 28.2 | Very low | 115 Ų | 115 | 129 Ų | 129 | 62% | 0.615 | 74% | 0.738 | S | S | * | * | | | trans | 69.6 | 133.8 | 153.6 | -82 | 27.8 | 0 | 0 | 0 | 120.3 | | |
| 516 | E | 28.3 | Very low | 28.3 | Very low | 162 Ų | 162 | 129.9 Ų | 129.9 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | | | | 68.4 | 140 | 65.4 | -66.7 | -174.3 | 159.6 | 0 | 0 | 114.1 | | |
| 517 | S | 27.4 | Very low | 28.5 | Very low | 93 Ų | 93 | 130.9 Ų | 130.9 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | | | cis | -168.4 | 176.4 | -14.9 | 63 | 0 | 0 | 0 | 0 | 110.4 | | |
| 518 | S | 28 | Very low | 28.6 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | | | trans | 74.7 | 154.6 | 145.6 | -55.8 | 0 | 0 | 0 | 0 | 122.2 | | |
| 519 | T | 27.8 | Very low | 28.5 | Very low | 121 Ų | 121 | 134 Ų | 134 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | | | trans | 64.6 | 108.4 | 154.5 | 44.8 | 0 | 0 | 0 | 0 | 121.8 | | |
| 520 | N | 26.9 | Very low | 28.3 | Very low | 142 Ų | 142 | 133.5 Ų | 133.5 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | | | | 29.3 | 120.1 | 117.1 | -50.1 | -21.5 | 0 | 0 | 0 | 118.8 | | |
| 521 | F | 25.8 | Very low | 28.1 | Very low | 196 Ų | 196 | 136.2 Ų | 136.2 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | | | | -162.2 | 155 | 104.4 | -131.1 | -108.1 | 0 | 0 | 0 | 115.6 | | |
| 522 | V | 26.3 | Very low | 28.3 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 64% | 0.642 | 77% | 0.767 | S | S | * | * | | | trans | -46.4 | 142.5 | 161.5 | 174.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 523 | M | 27.3 | Very low | 28.3 | Very low | 176 Ų | 176 | 132.8 Ų | 132.8 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | | | | -169.2 | 157.4 | 80.9 | -154 | 148.5 | -167.3 | 0 | 0 | 116.1 | | |
| 524 | S | 26.5 | Very low | 28.5 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | -68 | 150.2 | -176.2 | -32.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 525 | S | 30.8 | Very low | 28.6 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | | | trans | -157.7 | 148.5 | 136.7 | 43.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 526 | T | 26.3 | Very low | 28.8 | Very low | 144 Ų | 144 | 128 Ų | 128 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | trans | -112.5 | 134.9 | -173.6 | 48.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 527 | S | 29.6 | Very low | 29.3 | Very low | 120 Ų | 120 | 122.6 Ų | 122.6 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | | | trans | -153.5 | 145 | 154.8 | 55.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 528 | Q | 28 | Very low | 29.7 | Very low | 180 Ų | 180 | 126.1 Ų | 126.1 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | | | trans | -65.8 | 160.9 | 164.5 | -64.3 | 141.8 | -29 | 0 | 0 | 108.5 | | |
| 529 | T | 26.9 | Very low | 30.1 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | | | | -165.1 | 143.5 | 55.9 | 44.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 530 | E | 29.6 | Very low | 30.6 | Very low | 175 Ų | 175 | 127.3 Ų | 127.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | 64.3 | 151.5 | 139.2 | -62.2 | 177.3 | 155.6 | 0 | 0 | 122.4 | | |
| 531 | D | 31.1 | Very low | 31.3 | Very low | 169 Ų | 169 | 124.9 Ų | 124.9 | 90% | 0.904 | 79% | 0.786 | S | S | * | * | | | trans | 56.4 | 128.9 | 166.2 | -67.9 | -10.6 | 0 | 0 | 0 | 123.2 | | |
| 532 | G | 31.4 | Very low | 31.9 | Very low | 82 Ų | 82 | 120.3 Ų | 120.3 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | | | trans | 139.1 | 64.7 | 140.2 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 533 | G | 31.8 | Very low | 32.6 | Very low | 88 Ų | 88 | 120.1 Ų | 120.1 | 91% | 0.907 | 77% | 0.773 | S | S | * | * | | | trans | 76.7 | 168.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 534 | G | 33 | Very low | 33.4 | Very low | 69 Ų | 69 | 114.3 Ų | 114.3 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | | | cis | -165.4 | 135.6 | -6.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | C536 | G534-C536 PolarHBondContact O-N 2.68Š|
| 535 | G | 29.9 | Very low | 34.1 | Very low | 91 Ų | 91 | 111.8 Ų | 111.8 | 94% | 0.938 | 74% | 0.739 | S | S | * | * | | | trans | -83.1 | 110.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 536 | C | 33 | Very low | 34.7 | Very low | 129 Ų | 129 | 108.7 Ų | 108.7 | 87% | 0.872 | 72% | 0.721 | S | S | * | * | | | trans | -143.3 | 56.9 | 175.2 | 51.2 | 0 | 0 | 0 | 0 | 112.2 | G534 | G534-C536 PolarHBondContact O-N 2.68Š|
| 537 | G | 37.5 | Very low | 35.9 | Very low | 50 Ų | 50 | 104.3 Ų | 104.3 | 52% | 0.515 | 70% | 0.699 | S | S | . | * | S | Bend | trans | -143.4 | -21.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 538 | E | 36.6 | Very low | 36.8 | Very low | 166 Ų | 166 | 103.2 Ų | 103.2 | 78% | 0.776 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -93.6 | -29.5 | -172.1 | -69 | -175.5 | 112.5 | 0 | 0 | 114.9 | A540 T541 V542 | E538-A540 PolarHBondContact O-N 2.78Å; E538-T541 PolarHBondContact O-N 3.01Å; E538-T541 PolarHBondContact O-OG1 2.69Å; E538-V542 WeakPolarHBondContact O-CG2 3.12Å; E538-V542 PolarHBondContact O-N 3.14Å |
| 539 | E | 36 | Very low | 38 | Very low | 170 Ų | 170 | 99.4 Ų | 99.4 | 79% | 0.794 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -68.2 | -36.7 | 179.7 | -65.9 | -167.3 | 130 | 0 | 0 | 112.2 | T541 V542 V543 | E539-T541 VanDerWaalsContact C-N 3.34Å; E539-T541 PolarHBondContact O-N 2.65Å; E539-V542 PolarHBondContact O-N 3.42Å; E539-V543 WeakPolarHBondContact O-CG2 3.43Å; E539-V543 PolarHBondContact O-N 3.14Å |
| 540 | A | 37.6 | Very low | 39.3 | Very low | 74 Ų | 74 | 96.8 Ų | 96.8 | 61% | 0.612 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -63.3 | -37.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E538 A544 | E538-A540 PolarHBondContact O-N 2.78Å; A540-A544 WeakPolarHBondContact O-CB 3.22Å; A540-A544 PolarHBondContact O-N 3.18Å |
| 541 | T | 42.6 | Very low | 40.3 | Very low | 91 Ų | 91 | 91.3 Ų | 91.3 | 56% | 0.558 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -74.8 | -33.4 | 178.7 | 54.1 | 0 | 0 | 0 | 0 | 112.1 | E538 E539 A545 | E538-T541 PolarHBondContact O-N 3.01Å; E538-T541 PolarHBondContact O-OG1 2.69Å; E539-T541 VanDerWaalsContact C-N 3.34Å; E539-T541 PolarHBondContact O-N 2.65Å; T541-A545 WeakPolarHBondContact O-CB 3.41Å; T541-A545 PolarHBondContact O-N 3.39Å |
| 542 | V | 38.7 | Very low | 41.3 | Very low | 99 Ų | 99 | 86 Ų | 86 | 60% | 0.6 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.8 | -43 | 173 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | E538 E539 A545 A546 | E538-V542 WeakPolarHBondContact O-CG2 3.12Å; E538-V542 PolarHBondContact O-N 3.14Å; E539-V542 PolarHBondContact O-N 3.42Å; V542-A545 PolarHBondContact O-N 2.7Å; V542-A546 WeakPolarHBondContact O-CB 3.35Å; V542-A546 PolarHBondContact O-N 2.8Å |
| 543 | V | 41.4 | Very low | 42.4 | Very low | 103 Ų | 103 | 84.6 Ų | 84.6 | 62% | 0.624 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.4 | -43.4 | 175.5 | 173 | 0 | 0 | 0 | 0 | 111.2 | E539 A545 A546 A547 | E539-V543 WeakPolarHBondContact O-CG2 3.43Å; E539-V543 PolarHBondContact O-N 3.14Å; V543-A545 PolarHBondContact O-N 2.73Å; V543-A546 PolarHBondContact O-N 3.25Å; V543-A547 PolarHBondContact O-N 3.36Å |
| 544 | A | 42.1 | Very low | 43.7 | Very low | 54 Ų | 54 | 82.5 Ų | 82.5 | 45% | 0.446 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.3 | -42.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A540 A546 A547 V548 | A540-A544 WeakPolarHBondContact O-CB 3.22Å; A540-A544 PolarHBondContact O-N 3.18Å; A544-A546 PolarHBondContact O-N 3.47Å; A544-A547 PolarHBondContact O-N 3.28Å; A544-V548 WeakPolarHBondContact O-CG2 3.3Å; A544-V548 PolarHBondContact O-N 2.83Å |
| 545 | A | 41.9 | Very low | 44.9 | Very low | 55 Ų | 55 | 85.9 Ų | 85.9 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.9 | -41.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T541 V542 V543 V548 V549 | T541-A545 WeakPolarHBondContact O-CB 3.41Å; T541-A545 PolarHBondContact O-N 3.39Å; V542-A545 PolarHBondContact O-N 2.7Å; V543-A545 PolarHBondContact O-N 2.73Å; A545-V548 PolarHBondContact O-N 3.07Å; A545-V549 WeakPolarHBondContact O-CG2 3.42Å; A545-V549 PolarHBondContact O-N 2.88Å |
| 546 | A | 44.6 | Very low | 46.3 | Very low | 60 Ų | 60 | 84.6 Ų | 84.6 | 50% | 0.496 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.7 | -41.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V542 V543 A544 V549 A550 | V542-A546 WeakPolarHBondContact O-CB 3.35Å; V542-A546 PolarHBondContact O-N 2.8Å; V543-A546 PolarHBondContact O-N 3.25Å; A544-A546 PolarHBondContact O-N 3.47Å; A546-V549 PolarHBondContact O-N 3.12Å; A546-A550 WeakPolarHBondContact O-CB 3.43Å; A546-A550 PolarHBondContact O-N 2.78Å |
| 547 | A | 49.6 | Very low | 47.4 | Very low | 51 Ų | 51 | 83.2 Ų | 83.2 | 42% | 0.421 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V543 A544 A550 S551 | V543-A547 PolarHBondContact O-N 3.36Å; A544-A547 PolarHBondContact O-N 3.28Å; A547-A550 PolarHBondContact O-N 3.08Å; A547-S551 PolarHBondContact O-N 3.47Å; A547-S551 PolarHBondContact O-OG 2.02Å |
| 548 | V | 49.4 | Very low | 48.5 | Very low | 98 Ų | 98 | 82.8 Ų | 82.8 | 59% | 0.594 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.8 | -39 | 175.3 | 170.9 | 0 | 0 | 0 | 0 | 112 | A544 A545 S551 A552 | A544-V548 WeakPolarHBondContact O-CG2 3.3Å; A544-V548 PolarHBondContact O-N 2.83Å; A545-V548 PolarHBondContact O-N 3.07Å; V548-S551 PolarHBondContact O-OG 2.6Å; V548-S551 VanDerWaalsContact O-OG 3.14Å; V548-A552 VanDerWaalsContact O-CB 3.29Å; V548-A552 WeakPolarHBondContact O-CB 3.07Å; V548-A552 PolarHBondContact O-N 3.47Å |
| 549 | V | 52.9 | Low | 49.7 | Very low | 99 Ų | 99 | 77.4 Ų | 77.4 | 60% | 0.6 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.3 | -38.9 | 174.2 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | A545 A546 A553 | A545-V549 WeakPolarHBondContact O-CG2 3.42Å; A545-V549 PolarHBondContact O-N 2.88Å; A546-V549 PolarHBondContact O-N 3.12Å; V549-A553 WeakPolarHBondContact O-CB 3.27Å; V549-A553 PolarHBondContact O-N 3.31Å |
| 550 | A | 54.8 | Low | 50.7 | Low | 59 Ų | 59 | 72 Ų | 72 | 49% | 0.488 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A546 A547 A553 A554 | A546-A550 WeakPolarHBondContact O-CB 3.43Å; A546-A550 PolarHBondContact O-N 2.78Å; A547-A550 PolarHBondContact O-N 3.08Å; A550-A553 PolarHBondContact O-N 3.33Å; A550-A554 WeakPolarHBondContact O-CB 3.34Å; A550-A554 PolarHBondContact O-N 3.33Å |
| 551 | S | 50.8 | Low | 51.8 | Low | 61 Ų | 61 | 69.8 Ų | 69.8 | 43% | 0.427 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.7 | -38.2 | 177.4 | 69.6 | 0 | 0 | 0 | 0 | 112.2 | A547 V548 A553 A554 H555 | A547-S551 PolarHBondContact O-N 3.47Å; A547-S551 PolarHBondContact O-OG 2.02Å; V548-S551 PolarHBondContact O-OG 2.6Å; V548-S551 VanDerWaalsContact O-OG 3.14Å; S551-A553 PolarHBondContact O-N 2.79Å; S551-A554 PolarHBondContact O-N 3.39Å; S551-H555 PolarHBondContact O-CD2 2.78Å; S551-H555 VanDerWaalsContact O-CD2 3.31Å; S551-H555 PolarHBondContact O-N 2.79Å |
| 552 | A | 50.9 | Low | 52.7 | Low | 57 Ų | 57 | 71.8 Ų | 71.8 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V548 H555 A556 | V548-A552 VanDerWaalsContact O-CB 3.29Å; V548-A552 WeakPolarHBondContact O-CB 3.07Å; V548-A552 PolarHBondContact O-N 3.47Å; A552-H555 PolarHBondContact O-N 2.83Å; A552-A556 WeakPolarHBondContact O-CB 3.34Å; A552-A556 PolarHBondContact O-N 2.69Å |
| 553 | A | 54.7 | Low | 53.6 | Low | 53 Ų | 53 | 70 Ų | 70 | 44% | 0.438 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | V549 A550 S551 A556 V557 | V549-A553 WeakPolarHBondContact O-CB 3.27Å; V549-A553 PolarHBondContact O-N 3.31Å; A550-A553 PolarHBondContact O-N 3.33Å; S551-A553 PolarHBondContact O-N 2.79Å; A553-A556 PolarHBondContact O-N 3.33Å; A553-V557 WeakPolarHBondContact O-CG2 3.32Å; A553-V557 PolarHBondContact O-N 2.77Å |
| 554 | A | 60.4 | Low | 54.3 | Low | 44 Ų | 44 | 69.6 Ų | 69.6 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.4 | -44 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A550 S551 A556 V557 A558 | A550-A554 WeakPolarHBondContact O-CB 3.34Å; A550-A554 PolarHBondContact O-N 3.33Å; S551-A554 PolarHBondContact O-N 3.39Å; A554-A556 PolarHBondContact O-N 2.81Å; A554-V557 PolarHBondContact O-N 2.73Å; A554-A558 WeakPolarHBondContact O-CB 3.47Å; A554-A558 PolarHBondContact O-N 3.3Å |
| 555 | H | 57.8 | Low | 55 | Low | 140 Ų | 140 | 69.2 Ų | 69.2 | 65% | 0.648 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.1 | -39.1 | 174 | -87 | -70.6 | 0 | 0 | 0 | 112.8 | S551 A552 A558 A559 | S551-H555 PolarHBondContact O-CD2 2.78Å; S551-H555 VanDerWaalsContact O-CD2 3.31Å; S551-H555 PolarHBondContact O-N 2.79Å; A552-H555 PolarHBondContact O-N 2.83Å; H555-A558 PolarHBondContact O-N 3Å; H555-A559 WeakPolarHBondContact O-CB 3.43Å; H555-A559 PolarHBondContact O-N 2.97Å |
| 556 | A | 58 | Low | 56 | Low | 64 Ų | 64 | 69.5 Ų | 69.5 | 53% | 0.529 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A552 A553 A554 A559 A560 | A552-A556 WeakPolarHBondContact O-CB 3.34Å; A552-A556 PolarHBondContact O-N 2.69Å; A553-A556 PolarHBondContact O-N 3.33Å; A554-A556 PolarHBondContact O-N 2.81Å; A556-A559 PolarHBondContact O-N 3.12Å; A556-A560 WeakPolarHBondContact O-CB 3.4Å; A556-A560 PolarHBondContact O-N 2.84Å |
| 557 | V | 58 | Low | 56.5 | Low | 100 Ų | 100 | 69 Ų | 69 | 61% | 0.606 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.1 | -43.4 | 174.2 | 172.4 | 0 | 0 | 0 | 0 | 111 | A553 A554 A559 A560 A561 | A553-V557 WeakPolarHBondContact O-CG2 3.32Å; A553-V557 PolarHBondContact O-N 2.77Å; A554-V557 PolarHBondContact O-N 2.73Å; V557-A559 PolarHBondContact O-N 3Å; V557-A560 PolarHBondContact O-N 3.28Å; V557-A561 WeakPolarHBondContact O-CB 3.33Å; V557-A561 PolarHBondContact O-N 3.06Å |
| 558 | A | 60.7 | Low | 56.8 | Low | 41 Ų | 41 | 69.6 Ų | 69.6 | 34% | 0.339 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A554 H555 A561 Q562 | A554-A558 WeakPolarHBondContact O-CB 3.47Å; A554-A558 PolarHBondContact O-N 3.3Å; H555-A558 PolarHBondContact O-N 3Å; A558-A561 PolarHBondContact O-N 3.35Å; A558-Q562 WeakPolarHBondContact O-CB 3.49Å; A558-Q562 WeakPolarHBondContact O-CG 3.38Å; A558-Q562 PolarHBondContact O-N 3.03Å |
| 559 | A | 59.9 | Low | 57.3 | Low | 53 Ų | 53 | 70.1 Ų | 70.1 | 44% | 0.438 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | H555 A556 V557 Q562 A563 | H555-A559 WeakPolarHBondContact O-CB 3.43Å; H555-A559 PolarHBondContact O-N 2.97Å; A556-A559 PolarHBondContact O-N 3.12Å; V557-A559 PolarHBondContact O-N 3Å; A559-Q562 PolarHBondContact O-N 2.97Å; A559-A563 WeakPolarHBondContact O-CB 3.29Å; A559-A563 PolarHBondContact O-N 3.09Å |
| 560 | A | 57.5 | Low | 57.8 | Low | 56 Ų | 56 | 72.2 Ų | 72.2 | 46% | 0.463 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A556 V557 A563 V564 | A556-A560 WeakPolarHBondContact O-CB 3.4Å; A556-A560 PolarHBondContact O-N 2.84Å; V557-A560 PolarHBondContact O-N 3.28Å; A560-A563 PolarHBondContact O-N 2.91Å; A560-V564 WeakPolarHBondContact O-CG2 3.28Å; A560-V564 PolarHBondContact O-N 3.39Å |
| 561 | A | 60.5 | Low | 57.4 | Low | 27 Ų | 27 | 78.7 Ų | 78.7 | 22% | 0.223 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V557 A558 V564 S565 F1205 | V557-A561 WeakPolarHBondContact O-CB 3.33Å; V557-A561 PolarHBondContact O-N 3.06Å; A558-A561 PolarHBondContact O-N 3.35Å; A561-V564 PolarHBondContact O-N 3.21Å; A561-S565 WeakPolarHBondContact O-CB 3.34Å; A561-S565 PolarHBondContact O-N 3.46Å; A561-F1205 HydrophobicContact CB-CE2 3.8Å; A561-F1205 HydrophobicContact CB-CZ 4.24Å |
| 562 | Q | 61.3 | Low | 57.1 | Low | 133 Ų | 133 | 80 Ų | 80 | 62% | 0.621 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.5 | -42.7 | 172.1 | -75.2 | 175.6 | -4 | 0 | 0 | 112 | A558 A559 S565 A566 | A558-Q562 WeakPolarHBondContact O-CB 3.49Å; A558-Q562 WeakPolarHBondContact O-CG 3.38Å; A558-Q562 PolarHBondContact O-N 3.03Å; A559-Q562 PolarHBondContact O-N 2.97Å; Q562-S565 PolarHBondContact O-N 2.91Å; Q562-A566 WeakPolarHBondContact O-CB 3.49Å; Q562-A566 PolarHBondContact O-N 2.7Å |
| 563 | A | 59.1 | Low | 57.3 | Low | 62 Ų | 62 | 79.9 Ų | 79.9 | 51% | 0.512 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A559 A560 A567 | A559-A563 WeakPolarHBondContact O-CB 3.29Å; A559-A563 PolarHBondContact O-N 3.09Å; A560-A563 PolarHBondContact O-N 2.91Å; A563-A567 WeakPolarHBondContact O-CB 3.31Å; A563-A567 PolarHBondContact O-N 3.09Å |
| 564 | V | 56.4 | Low | 57 | Low | 95 Ų | 95 | 80.4 Ų | 80.4 | 58% | 0.576 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.3 | -46.1 | 173 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | A560 A561 A566 A567 V568 | A560-V564 WeakPolarHBondContact O-CG2 3.28Å; A560-V564 PolarHBondContact O-N 3.39Å; A561-V564 PolarHBondContact O-N 3.21Å; V564-A566 PolarHBondContact O-N 3.03Å; V564-A567 PolarHBondContact O-N 2.67Å; V564-V568 HydrophobicContact CG1-CG2 4.47Å; V564-V568 WeakPolarHBondContact O-CG2 3.47Å; V564-V568 PolarHBondContact O-N 3.43Å |
| 565 | S | 55.6 | Low | 56.1 | Low | 46 Ų | 46 | 81.5 Ų | 81.5 | 32% | 0.322 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 177.6 | -174.8 | 0 | 0 | 0 | 0 | 111.9 | A561 Q562 A567 V568 H569 | A561-S565 WeakPolarHBondContact O-CB 3.34Å; A561-S565 PolarHBondContact O-N 3.46Å; Q562-S565 PolarHBondContact O-N 2.91Å; S565-A567 VanDerWaalsContact C-N 3.35Å; S565-A567 PolarHBondContact O-N 2.88Å; S565-V568 PolarHBondContact O-N 2.83Å; S565-H569 PolarHBondContact O-CD2 2.95Å; S565-H569 PolarHBondContact O-N 2.88Å |
| 566 | A | 62.4 | Low | 55.5 | Low | 60 Ų | 60 | 77.3 Ų | 77.3 | 50% | 0.496 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q562 V564 H569 H570 | Q562-A566 WeakPolarHBondContact O-CB 3.49Å; Q562-A566 PolarHBondContact O-N 2.7Å; V564-A566 PolarHBondContact O-N 3.03Å; A566-H569 PolarHBondContact O-N 3.48Å; A566-H570 WeakPolarHBondContact O-CB 3.46Å; A566-H570 PolarHBondContact O-N 3.47Å |
| 567 | A | 54.9 | Low | 55 | Low | 51 Ų | 51 | 77 Ų | 77 | 42% | 0.421 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.6 | -36.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A563 V564 S565 R571 | A563-A567 WeakPolarHBondContact O-CB 3.31Å; A563-A567 PolarHBondContact O-N 3.09Å; V564-A567 PolarHBondContact O-N 2.67Å; S565-A567 VanDerWaalsContact C-N 3.35Å; S565-A567 PolarHBondContact O-N 2.88Å; A567-R571 WeakPolarHBondContact O-CG 3.4Å; A567-R571 PolarHBondContact O-N 2.77Å; A567-R571 VanDerWaalsContact O-N 3.09Å |
| 568 | V | 56 | Low | 54.5 | Low | 63 Ų | 63 | 75.5 Ų | 75.5 | 38% | 0.382 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68 | -45.3 | 173.5 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | V564 S565 H570 R571 R572 | V564-V568 HydrophobicContact CG1-CG2 4.47Å; V564-V568 WeakPolarHBondContact O-CG2 3.47Å; V564-V568 PolarHBondContact O-N 3.43Å; S565-V568 PolarHBondContact O-N 2.83Å; V568-H570 PolarHBondContact O-N 3.19Å; V568-R571 PolarHBondContact O-N 3.11Å; V568-R572 HydrophobicContact CG1-CG 4.42Å; V568-R572 PolarHBondContact O-N 2.85Å |
| 569 | H | 60.1 | Low | 53.9 | Low | 109 Ų | 109 | 78.6 Ų | 78.6 | 51% | 0.505 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 174.3 | -92.4 | -87.7 | 0 | 0 | 0 | 112.3 | S565 A566 R571 R572 A573 | S565-H569 PolarHBondContact O-CD2 2.95Å; S565-H569 PolarHBondContact O-N 2.88Å; A566-H569 PolarHBondContact O-N 3.48Å; H569-R571 VanDerWaalsContact C-N 3.29Å; H569-R571 PolarHBondContact O-N 3.29Å; H569-R572 PolarHBondContact O-N 3.48Å; H569-A573 WeakPolarHBondContact O-CB 3.27Å; H569-A573 PolarHBondContact O-N 3.16Å |
| 570 | H | 63.8 | Low | 53.3 | Low | 143 Ų | 143 | 80.9 Ų | 80.9 | 66% | 0.662 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -67.4 | -29.1 | 177.9 | -158.3 | -47.3 | 0 | 0 | 0 | 112.4 | A566 V568 S574 | A566-H570 WeakPolarHBondContact O-CB 3.46Å; A566-H570 PolarHBondContact O-N 3.47Å; V568-H570 PolarHBondContact O-N 3.19Å; H570-S574 WeakPolarHBondContact O-CB 3.33Å; H570-S574 PolarHBondContact O-N 3.47Å; H570-S574 PolarHBondContact O-OG 2.79Å |
| 571 | R | 46.3 | Very low | 53 | Low | 195 Ų | 195 | 85.1 Ų | 85.1 | 74% | 0.736 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -73.7 | -46 | 168.4 | -72.7 | -175.2 | -169.6 | -150.3 | 6 | 112.3 | A567 V568 H569 A573 S574 S575 | A567-R571 WeakPolarHBondContact O-CG 3.4Å; A567-R571 PolarHBondContact O-N 2.77Å; A567-R571 VanDerWaalsContact O-N 3.09Å; V568-R571 PolarHBondContact O-N 3.11Å; H569-R571 VanDerWaalsContact C-N 3.29Å; H569-R571 PolarHBondContact O-N 3.29Å; R571-A573 PolarHBondContact O-N 2.91Å; R571-S574 WeakPolarHBondContact CA-OG 3.4Å; R571-S574 PolarHBondContact O-N 3Å; R571-S574 PolarHBondContact O-OG 3.49Å; R571-S574 VanDerWaalsContact O-OG 3.14Å; R571-S575 WeakPolarHBondContact O-CB 3.37Å; R571-S575 PolarHBondContact O-N 2.94Å; R571-S575 PolarHBondContact O-OG 3.37Å |
| 572 | R | 45.3 | Very low | 52.6 | Low | 88 Ų | 88 | 86.1 Ų | 86.1 | 33% | 0.332 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -55.3 | -52.6 | 175.5 | -76.1 | -174.1 | -177.5 | 169.9 | 2.8 | 110.1 | V568 H569 S574 S575 S576 E1202 | V568-R572 HydrophobicContact CG1-CG 4.42Å; V568-R572 PolarHBondContact O-N 2.85Å; H569-R572 PolarHBondContact O-N 3.48Å; R572-S574 PolarHBondContact O-N 2.93Å; R572-S575 WeakPolarHBondContact CA-OG 3.47Å; R572-S575 PolarHBondContact O-N 2.87Å; R572-S575 VanDerWaalsContact O-N 3.13Å; R572-S575 PolarHBondContact O-OG 3.27Å; R572-S576 PolarHBondContact O-N 3.17Å; R572-S576 PolarHBondContact O-OG 2.84Å; R572-E1202 IonicContact CZ-OE1 3.67Å; R572-E1202 VanDerWaalsContact CZ-OE1 3.3Å; R572-E1202 IonicContact NH1-OE1 3.29Å; R572-E1202 PolarHBondContact NH1-OE1 3.39Å; R572-E1202 IonicContact NH2-OE1 3.42Å; R572-E1202 PolarHBondContact NH2-OE1 2.83Å |
| 573 | A | 54.3 | Low | 52 | Low | 55 Ų | 55 | 83.9 Ų | 83.9 | 46% | 0.455 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -36 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | H569 R571 S576 S577 | H569-A573 WeakPolarHBondContact O-CB 3.27Å; H569-A573 PolarHBondContact O-N 3.16Å; R571-A573 PolarHBondContact O-N 2.91Å; A573-S576 PolarHBondContact O-OG 3.4Å; A573-S577 WeakPolarHBondContact O-CB 3.39Å; A573-S577 PolarHBondContact O-N 2.91Å; A573-S577 VanDerWaalsContact O-N 3.16Å; A573-S577 PolarHBondContact O-OG 3.41Å |
| 574 | S | 48.6 | Very low | 51.7 | Low | 64 Ų | 64 | 83.9 Ų | 83.9 | 45% | 0.448 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -75.3 | -30.3 | 174.1 | 49.3 | 0 | 0 | 0 | 0 | 112.7 | H570 R571 R572 S577 S578 | H570-S574 WeakPolarHBondContact O-CB 3.33Å; H570-S574 PolarHBondContact O-N 3.47Å; H570-S574 PolarHBondContact O-OG 2.79Å; R571-S574 WeakPolarHBondContact CA-OG 3.4Å; R571-S574 PolarHBondContact O-N 3Å; R571-S574 PolarHBondContact O-OG 3.49Å; R571-S574 VanDerWaalsContact O-OG 3.14Å; R572-S574 PolarHBondContact O-N 2.93Å; S574-S577 PolarHBondContact O-OG 3.26Å; S574-S578 PolarHBondContact O-N 2.82Å |
| 575 | S | 42.3 | Very low | 51.3 | Low | 66 Ų | 66 | 82.5 Ų | 82.5 | 46% | 0.462 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -73 | -45.8 | 172.3 | 68.4 | 0 | 0 | 0 | 0 | 112.7 | R571 R572 S578 L579 | R571-S575 WeakPolarHBondContact O-CB 3.37Å; R571-S575 PolarHBondContact O-N 2.94Å; R571-S575 PolarHBondContact O-OG 3.37Å; R572-S575 WeakPolarHBondContact CA-OG 3.47Å; R572-S575 PolarHBondContact O-N 2.87Å; R572-S575 VanDerWaalsContact O-N 3.13Å; R572-S575 PolarHBondContact O-OG 3.27Å; S575-S578 PolarHBondContact O-N 2.85Å; S575-S578 PolarHBondContact O-OG 3.16Å; S575-L579 WeakPolarHBondContact O-CB 3.42Å; S575-L579 PolarHBondContact O-N 2.88Å |
| 576 | S | 44.6 | Very low | 50.8 | Low | 53 Ų | 53 | 87.3 Ų | 87.3 | 37% | 0.371 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.4 | -45.7 | -178.9 | 64.1 | 0 | 0 | 0 | 0 | 111.4 | R572 A573 S578 L579 D580 | R572-S576 PolarHBondContact O-N 3.17Å; R572-S576 PolarHBondContact O-OG 2.84Å; A573-S576 PolarHBondContact O-OG 3.4Å; S576-S578 PolarHBondContact O-N 3.2Å; S576-L579 CarbonylContact O-C 3.42Å; S576-L579 PolarHBondContact O-N 2.73Å; S576-D580 WeakPolarHBondContact O-CB 3.48Å; S576-D580 PolarHBondContact O-N 2.85Å |
| 577 | S | 47.6 | Very low | 50.1 | Low | 56 Ų | 56 | 89.4 Ų | 89.4 | 39% | 0.392 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.5 | -31.3 | 174.7 | 53.6 | 0 | 0 | 0 | 0 | 113.3 | A573 S574 Q581 | A573-S577 WeakPolarHBondContact O-CB 3.39Å; A573-S577 PolarHBondContact O-N 2.91Å; A573-S577 VanDerWaalsContact O-N 3.16Å; A573-S577 PolarHBondContact O-OG 3.41Å; S574-S577 PolarHBondContact O-OG 3.26Å; S577-Q581 WeakPolarHBondContact O-CB 3.38Å; S577-Q581 WeakPolarHBondContact O-CG 3.39Å; S577-Q581 PolarHBondContact O-N 2.86Å |
| 578 | S | 46.4 | Very low | 49.5 | Very low | 69 Ų | 69 | 91.6 Ų | 91.6 | 48% | 0.483 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -74.3 | -35.2 | 171.5 | 78.8 | 0 | 0 | 0 | 0 | 113.4 | S574 S575 S576 A582 | S574-S578 PolarHBondContact O-N 2.82Å; S575-S578 PolarHBondContact O-N 2.85Å; S575-S578 PolarHBondContact O-OG 3.16Å; S576-S578 PolarHBondContact O-N 3.2Å; S578-A582 WeakPolarHBondContact O-CB 3.17Å; S578-A582 PolarHBondContact O-N 2.81Å |
| 579 | L | 48.7 | Very low | 48.8 | Very low | 107 Ų | 107 | 96.9 Ų | 96.9 | 56% | 0.56 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -75.2 | -43 | -179.4 | -160.9 | 78.5 | 0 | 0 | 0 | 111.6 | S575 S576 Q581 A582 I583 | S575-L579 WeakPolarHBondContact O-CB 3.42Å; S575-L579 PolarHBondContact O-N 2.88Å; S576-L579 CarbonylContact O-C 3.42Å; S576-L579 PolarHBondContact O-N 2.73Å; L579-Q581 VanDerWaalsContact C-N 3.33Å; L579-Q581 PolarHBondContact O-N 2.85Å; L579-A582 WeakPolarHBondContact O-CB 3.23Å; L579-A582 PolarHBondContact O-N 2.91Å; L579-I583 HydrophobicContact CD2-CD1 4.25Å; L579-I583 HydrophobicContact CG-CD1 3.97Å; L579-I583 WeakPolarHBondContact O-CB 3.4Å; L579-I583 WeakPolarHBondContact O-CG1 3.35Å; L579-I583 PolarHBondContact O-N 3.32Å |
| 580 | D | 46.5 | Very low | 47.7 | Very low | 101 Ų | 101 | 96.3 Ų | 96.3 | 54% | 0.54 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.3 | -37.3 | 175.5 | -66.8 | -40.5 | 0 | 0 | 0 | 111 | S576 S584 | S576-D580 WeakPolarHBondContact O-CB 3.48Å; S576-D580 PolarHBondContact O-N 2.85Å; D580-S584 WeakPolarHBondContact O-CB 3.29Å; D580-S584 PolarHBondContact O-N 3.35Å |
| 581 | Q | 52.7 | Low | 46.4 | Very low | 145 Ų | 145 | 95.7 Ų | 95.7 | 68% | 0.678 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.8 | -38.2 | 171 | -75.2 | 178.6 | 2.8 | 0 | 0 | 112.3 | S577 L579 S585 | S577-Q581 WeakPolarHBondContact O-CB 3.38Å; S577-Q581 WeakPolarHBondContact O-CG 3.39Å; S577-Q581 PolarHBondContact O-N 2.86Å; L579-Q581 VanDerWaalsContact C-N 3.33Å; L579-Q581 PolarHBondContact O-N 2.85Å; Q581-S585 VanDerWaalsContact O-CB 3.26Å; Q581-S585 WeakPolarHBondContact O-CB 3.29Å; Q581-S585 PolarHBondContact O-N 3.41Å; Q581-S585 PolarHBondContact O-OG 2.65Å |
| 582 | A | 51.5 | Low | 45.7 | Very low | 48 Ų | 48 | 93 Ų | 93 | 40% | 0.397 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.6 | -46 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S578 L579 S585 Q586 | S578-A582 WeakPolarHBondContact O-CB 3.17Å; S578-A582 PolarHBondContact O-N 2.81Å; L579-A582 WeakPolarHBondContact O-CB 3.23Å; L579-A582 PolarHBondContact O-N 2.91Å; A582-S585 PolarHBondContact O-N 3.42Å; A582-S585 PolarHBondContact O-OG 3.39Å; A582-Q586 PolarHBondContact O-N 3.05Å |
| 583 | I | 49.5 | Very low | 45 | Very low | 85 Ų | 85 | 96.8 Ų | 96.8 | 44% | 0.436 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.5 | -44.4 | 179.2 | -68 | 167.7 | 0 | 0 | 0 | 110.7 | L579 S585 Q586 L587 | L579-I583 HydrophobicContact CD2-CD1 4.25Å; L579-I583 HydrophobicContact CG-CD1 3.97Å; L579-I583 WeakPolarHBondContact O-CB 3.4Å; L579-I583 WeakPolarHBondContact O-CG1 3.35Å; L579-I583 PolarHBondContact O-N 3.32Å; I583-S585 VanDerWaalsContact C-N 3.35Å; I583-S585 PolarHBondContact O-N 3.17Å; I583-Q586 PolarHBondContact O-N 3.46Å; I583-L587 HydrophobicContact CG2-CD1 3.78Å; I583-L587 HydrophobicContact CG2-CG 4.41Å; I583-L587 WeakPolarHBondContact O-CB 3.29Å; I583-L587 WeakPolarHBondContact O-CG 3.35Å; I583-L587 PolarHBondContact O-N 3.01Å |
| 584 | S | 51.3 | Low | 44 | Very low | 63 Ų | 63 | 103 Ų | 103 | 44% | 0.441 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66 | -34.1 | 177.5 | -173.5 | 0 | 0 | 0 | 0 | 112.7 | D580 N588 | D580-S584 WeakPolarHBondContact O-CB 3.29Å; D580-S584 PolarHBondContact O-N 3.35Å; S584-N588 WeakPolarHBondContact O-CB 2.93Å; S584-N588 PolarHBondContact O-N 3.38Å; S584-N588 PolarHBondContact O-ND2 2.86Å |
| 585 | S | 47.9 | Very low | 43.4 | Very low | 65 Ų | 65 | 105.5 Ų | 105.5 | 46% | 0.455 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70 | -44.6 | 173.8 | 58.3 | 0 | 0 | 0 | 0 | 112.5 | Q581 A582 I583 L587 N588 E589 | Q581-S585 VanDerWaalsContact O-CB 3.26Å; Q581-S585 WeakPolarHBondContact O-CB 3.29Å; Q581-S585 PolarHBondContact O-N 3.41Å; Q581-S585 PolarHBondContact O-OG 2.65Å; A582-S585 PolarHBondContact O-N 3.42Å; A582-S585 PolarHBondContact O-OG 3.39Å; I583-S585 VanDerWaalsContact C-N 3.35Å; I583-S585 PolarHBondContact O-N 3.17Å; S585-L587 PolarHBondContact O-N 3.35Å; S585-N588 PolarHBondContact O-N 2.96Å; S585-E589 PolarHBondContact O-N 3.12Å |
| 586 | Q | 45.5 | Very low | 43.1 | Very low | 148 Ų | 148 | 110 Ų | 110 | 69% | 0.692 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.1 | -35.9 | 176.5 | -71.2 | -156.5 | -27.1 | 0 | 0 | 113.4 | A582 I583 S590 | A582-Q586 PolarHBondContact O-N 3.05Å; I583-Q586 PolarHBondContact O-N 3.46Å; Q586-S590 WeakPolarHBondContact O-CB 3.24Å; Q586-S590 PolarHBondContact O-N 2.95Å; Q586-S590 VanDerWaalsContact O-N 3.12Å; Q586-S590 PolarHBondContact O-OG 3.3Å |
| 587 | L | 47.4 | Very low | 43 | Very low | 103 Ų | 103 | 111.9 Ų | 111.9 | 54% | 0.539 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.1 | -34.8 | 174.5 | -71.7 | 173 | 0 | 0 | 0 | 112.5 | I583 S585 S590 I591 | I583-L587 HydrophobicContact CG2-CD1 3.78Å; I583-L587 HydrophobicContact CG2-CG 4.41Å; I583-L587 WeakPolarHBondContact O-CB 3.29Å; I583-L587 WeakPolarHBondContact O-CG 3.35Å; I583-L587 PolarHBondContact O-N 3.01Å; S585-L587 PolarHBondContact O-N 3.35Å; L587-S590 PolarHBondContact O-N 3.01Å; L587-I591 WeakPolarHBondContact O-CD1 3.43Å; L587-I591 WeakPolarHBondContact O-CG1 3.39Å |
| 588 | N | 42.8 | Very low | 42.4 | Very low | 98 Ų | 98 | 115.3 Ų | 115.3 | 52% | 0.524 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -73.7 | -36.7 | 175.7 | -80.4 | -51.1 | 0 | 0 | 0 | 113.4 | S584 S585 S590 I591 | S584-N588 WeakPolarHBondContact O-CB 2.93Å; S584-N588 PolarHBondContact O-N 3.38Å; S584-N588 PolarHBondContact O-ND2 2.86Å; S585-N588 PolarHBondContact O-N 2.96Å; N588-S590 PolarHBondContact O-N 2.87Å; N588-I591 PolarHBondContact O-N 3.06Å |
| 589 | E | 40.8 | Very low | 41.8 | Very low | 174 Ų | 174 | 120.2 Ų | 120.2 | 81% | 0.813 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69 | -24.5 | 172.1 | -70.5 | -156.5 | 144.6 | 0 | 0 | 112.5 | S585 I591 | S585-E589 PolarHBondContact O-N 3.12Å; E589-I591 PolarHBondContact O-N 3.4Å |
| 590 | S | 38.8 | Very low | 41.2 | Very low | 96 Ų | 96 | 120 Ų | 120 | 67% | 0.671 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -8.6 | 176.1 | -60.5 | 0 | 0 | 0 | 0 | 114.6 | Q586 L587 N588 | Q586-S590 WeakPolarHBondContact O-CB 3.24Å; Q586-S590 PolarHBondContact O-N 2.95Å; Q586-S590 VanDerWaalsContact O-N 3.12Å; Q586-S590 PolarHBondContact O-OG 3.3Å; L587-S590 PolarHBondContact O-N 3.01Å; N588-S590 PolarHBondContact O-N 2.87Å |
| 591 | I | 36 | Very low | 40.6 | Very low | 131 Ų | 131 | 120.6 Ų | 120.6 | 67% | 0.672 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.9 | 0 | -169.5 | -68.6 | 173.7 | 0 | 0 | 0 | 112.7 | L587 N588 E589 | L587-I591 WeakPolarHBondContact O-CD1 3.43Å; L587-I591 WeakPolarHBondContact O-CG1 3.39Å; N588-I591 PolarHBondContact O-N 3.06Å; E589-I591 PolarHBondContact O-N 3.4Å |
| 592 | L | 31.5 | Very low | 39.7 | Very low | 138 Ų | 138 | 120.4 Ų | 120.4 | 72% | 0.723 | 66% | 0.658 | S | S | * | * | | | trans | -120.1 | 54.1 | -173.4 | -85.9 | 169.4 | 0 | 0 | 0 | 115.6 | | |
| 593 | M | 30.5 | Very low | 38.8 | Very low | 168 Ų | 168 | 126.2 Ų | 126.2 | 83% | 0.828 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -141.6 | 153.2 | 154.3 | -89.6 | -60.9 | -178.9 | 0 | 0 | 111.2 | | |
| 594 | H | 33 | Very low | 37.9 | Very low | 185 Ų | 185 | 130.6 Ų | 130.6 | 86% | 0.856 | 70% | 0.695 | S | S | * | * | | | trans | 68 | 63.2 | -178.4 | -60 | -68.9 | 0 | 0 | 0 | 117 | | |
| 595 | T | 35.5 | Very low | 37.2 | Very low | 117 Ų | 117 | 132 Ų | 132 | 72% | 0.718 | 70% | 0.703 | S | S | * | * | | | trans | -91 | 140.7 | 157.1 | 41.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 596 | L | 36.5 | Very low | 36.5 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 83% | 0.832 | 72% | 0.717 | S | S | * | * | | | trans | 73.2 | 157.3 | 158 | -58.6 | 158.6 | 0 | 0 | 0 | 118.4 | | |
| 597 | P | 42.8 | Very low | 35.9 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 61% | 0.61 | 72% | 0.716 | S | S | * | * | | | | -145.9 | -177.3 | -50.7 | 42 | -25.7 | 0 | 0 | 0 | 116 | | |
| 598 | N | 33.8 | Very low | 35.1 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 68% | 0.679 | 72% | 0.723 | S | S | * | * | | | trans | 97.2 | 119 | 144.7 | -72 | -17.7 | 0 | 0 | 0 | 123 | | |
| 599 | Q | 35.3 | Very low | 34.4 | Very low | 173 Ų | 173 | 138 Ų | 138 | 81% | 0.808 | 73% | 0.734 | S | S | * | * | | | trans | 69.5 | 141 | 138.4 | -62.6 | 166.7 | 13.3 | 0 | 0 | 118.4 | | |
| 600 | S | 35.4 | Very low | 33.9 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | | | cis | -172.4 | 176.4 | -12.5 | 67.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 601 | T | 34.1 | Very low | 33.6 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | | | cis | -168.2 | 166.5 | 1.1 | -1.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 602 | I | 34 | Very low | 33.4 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 72% | 0.723 | 73% | 0.732 | S | S | * | * | | | trans | 79.2 | 104.2 | 146.6 | -68.1 | 158.3 | 0 | 0 | 0 | 122.1 | | |
| 603 | H | 32.8 | Very low | 33.4 | Very low | 171 Ų | 171 | 131.9 Ų | 131.9 | 79% | 0.792 | 73% | 0.734 | S | S | * | * | | | trans | 48.6 | 112 | 134.3 | -63.9 | -88 | 0 | 0 | 0 | 126.1 | | |
| 604 | H | 30.1 | Very low | 33.6 | Very low | 176 Ų | 176 | 130.9 Ų | 130.9 | 82% | 0.815 | 74% | 0.737 | S | S | * | * | | | | 11.5 | 168.8 | 101.6 | -107.8 | -103.6 | 0 | 0 | 0 | 120.5 | | |
| 605 | P | 36.6 | Very low | 33.5 | Very low | 93 Ų | 93 | 125.4 Ų | 125.4 | 60% | 0.604 | 73% | 0.73 | S | S | * | * | | | cis | -148 | -171.5 | 11.2 | 31.7 | -4.6 | 0 | 0 | 0 | 119.2 | | |
| 606 | L | 33.7 | Very low | 33.2 | Very low | 144 Ų | 144 | 125.5 Ų | 125.5 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | | | trans | 76.8 | 150.7 | 156.9 | -47.7 | -171.7 | 0 | 0 | 0 | 119.6 | | |
| 607 | M | 32 | Very low | 32.8 | Very low | 136 Ų | 136 | 127.7 Ų | 127.7 | 67% | 0.67 | 73% | 0.733 | S | S | * | * | | | cis | -163.3 | 153.1 | -20.3 | -105.5 | -47.5 | -159.3 | 0 | 0 | 113.5 | | |
| 608 | H | 30.8 | Very low | 32.2 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | | | trans | 53.6 | 131.2 | 147.3 | -78.2 | -63.6 | 0 | 0 | 0 | 126.4 | | |
| 609 | C | 27.8 | Very low | 32.1 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 75% | 0.75 | 74% | 0.744 | S | S | * | * | | | trans | 69 | 153.4 | 132.5 | -67.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 610 | S | 30.6 | Very low | 31.8 | Very low | 95 Ų | 95 | 133.3 Ų | 133.3 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | | | cis | -168 | 167.4 | -18.7 | 53.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 611 | S | 33 | Very low | 31.7 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | | | trans | 60.8 | 116.8 | 145.7 | 57 | 0 | 0 | 0 | 0 | 122.4 | | |
| 612 | S | 32.4 | Very low | 31.6 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | | | | 138.3 | 137.8 | 108 | 67.5 | 0 | 0 | 0 | 0 | 119.5 | | |
| 613 | S | 31.8 | Very low | 31.5 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | | | trans | 88.5 | 148.2 | 142.8 | 79.5 | 0 | 0 | 0 | 0 | 124.1 | | |
| 614 | V | 34.7 | Very low | 31.4 | Very low | 148 Ų | 148 | 129.5 Ų | 129.5 | 90% | 0.897 | 74% | 0.739 | S | S | * | * | | | trans | 76.6 | 131 | 162.4 | -167.8 | 0 | 0 | 0 | 0 | 120 | | |
| 615 | G | 31 | Very low | 31.4 | Very low | 69 Ų | 69 | 126.6 Ų | 126.6 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | | | trans | 143.6 | 57.1 | 146.1 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 616 | C | 28.7 | Very low | 31.1 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | | | trans | 22.5 | 130.7 | 146.8 | -59.5 | 0 | 0 | 0 | 0 | 125.1 | | |
| 617 | Y | 28.5 | Very low | 31 | Very low | 206 Ų | 206 | 129.1 Ų | 129.1 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | | | trans | 64 | 114.9 | 133.6 | -83.7 | -93.6 | 0 | 0 | 0 | 124.3 | | |
| 618 | N | 29.1 | Very low | 30.9 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 69% | 0.69 | 74% | 0.735 | S | S | * | * | | | trans | 51 | 139.4 | 131.8 | -65.7 | 4.5 | 0 | 0 | 0 | 124.7 | | |
| 619 | N | 31.6 | Very low | 30.9 | Very low | 155 Ų | 155 | 125.6 Ų | 125.6 | 83% | 0.829 | 74% | 0.738 | S | S | * | * | | | trans | 103.7 | 115.9 | 150.2 | -62.6 | -30.1 | 0 | 0 | 0 | 120.6 | | |
| 620 | Y | 28.7 | Very low | 31 | Very low | 227 Ų | 227 | 126.4 Ų | 126.4 | 89% | 0.89 | 74% | 0.735 | S | S | * | * | | | trans | -43.3 | 173 | 148.4 | -84.7 | -85 | 0 | 0 | 0 | 115.5 | | |
| 621 | P | 33.8 | Very low | 31 | Very low | 104 Ų | 104 | 127.5 Ų | 127.5 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | | | cis | -139 | -170.3 | -1.8 | 27.2 | -1.8 | 0 | 0 | 0 | 116.6 | | |
| 622 | S | 31.3 | Very low | 30.8 | Very low | 91 Ų | 91 | 131.1 Ų | 131.1 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | | | trans | 86.2 | 99 | 135.6 | 50.8 | 0 | 0 | 0 | 0 | 123.7 | | |
| 623 | T | 32.6 | Very low | 30.8 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | | | | 64 | 118.9 | 125.9 | 58.1 | 0 | 0 | 0 | 0 | 123.9 | | |
| 624 | N | 29.9 | Very low | 30.6 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 78% | 0.781 | 72% | 0.72 | S | S | * | * | | | | 56 | 123.7 | 129 | -54.9 | -11.7 | 0 | 0 | 0 | 121.9 | | |
| 625 | Q | 31.5 | Very low | 30.6 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 54% | 0.537 | 72% | 0.717 | S | S | . | * | | | | 174 | 127.4 | 107.9 | -94.3 | -178.6 | 32.6 | 0 | 0 | 116 | | |
| 626 | L | 29.5 | Very low | 30.6 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 69% | 0.686 | 71% | 0.713 | S | S | * | * | | | trans | 66.2 | 168.6 | 133.4 | -63.2 | 171.9 | 0 | 0 | 0 | 123.1 | | |
| 627 | I | 32.9 | Very low | 30.9 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 82% | 0.821 | 71% | 0.707 | S | S | * | * | | | trans | 79 | 129.9 | 174.1 | -49.6 | 172.4 | 0 | 0 | 0 | 113.2 | | |
| 628 | S | 29.2 | Very low | 31.1 | Very low | 102 Ų | 102 | 133.1 Ų | 133.1 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | | | cis | 148.7 | 154.8 | -14.8 | -88.7 | 0 | 0 | 0 | 0 | 106.4 | | |
| 629 | S | 29.6 | Very low | 31.2 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | | | trans | 69.9 | 150.8 | 174.2 | -79 | 0 | 0 | 0 | 0 | 116.2 | | |
| 630 | D | 31 | Very low | 30.9 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 68% | 0.684 | 71% | 0.706 | S | S | * | * | | | cis | -158.1 | 153.3 | 2.2 | -116.9 | 2.9 | 0 | 0 | 0 | 114.5 | | |
| 631 | L | 29.9 | Very low | 30.9 | Very low | 119 Ų | 119 | 126.9 Ų | 126.9 | 62% | 0.623 | 70% | 0.704 | S | S | * | * | | | trans | 65.1 | 135.4 | 141.4 | -64.5 | 173 | 0 | 0 | 0 | 125.5 | | |
| 632 | Y | 28.5 | Very low | 30.8 | Very low | 174 Ų | 174 | 129 Ų | 129 | 68% | 0.682 | 71% | 0.709 | S | S | * | * | | | trans | 67.8 | 155.6 | 144.3 | -71.2 | -46.6 | 0 | 0 | 0 | 120.9 | | |
| 633 | H | 32.4 | Very low | 30.6 | Very low | 144 Ų | 144 | 133 Ų | 133 | 67% | 0.667 | 72% | 0.717 | S | S | * | * | | | cis | -145.1 | 146.1 | 2.9 | -125.1 | -55.9 | 0 | 0 | 0 | 114.1 | | |
| 634 | H | 29.1 | Very low | 30.6 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 58% | 0.583 | 73% | 0.727 | S | S | * | * | | | trans | -1.9 | 143.8 | 151.2 | -78.5 | -120.3 | 0 | 0 | 0 | 122.9 | T636 | H634-T636 HydrophobicContact CB-CG2 4.39Å; H634-T636 VanDerWaalsContact ND1-CG2 3.35Å; H634-T636 WeakPolarHBondContact ND1-CG2 3.26Å |
| 635 | H | 34.6 | Very low | 30.7 | Very low | 181 Ų | 181 | 137.9 Ų | 137.9 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | | | | -169.8 | 122 | 111.3 | -90.5 | -60.4 | 0 | 0 | 0 | 108.4 | | |
| 636 | T | 30.4 | Very low | 30.7 | Very low | 102 Ų | 102 | 139.3 Ų | 139.3 | 63% | 0.626 | 73% | 0.734 | S | S | * | * | | | cis | 82.1 | 100 | 41.9 | 71.8 | 0 | 0 | 0 | 0 | 116.4 | H634 | H634-T636 HydrophobicContact CB-CG2 4.39Å; H634-T636 VanDerWaalsContact ND1-CG2 3.35Å; H634-T636 WeakPolarHBondContact ND1-CG2 3.26Å |
| 637 | G | 34 | Very low | 30.9 | Very low | 66 Ų | 66 | 139.4 Ų | 139.4 | 68% | 0.68 | 73% | 0.734 | S | S | * | * | | | trans | -168.9 | 116.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 638 | H | 33.7 | Very low | 30.9 | Very low | 183 Ų | 183 | 138.1 Ų | 138.1 | 85% | 0.847 | 73% | 0.729 | S | S | * | * | | | | 59.7 | 132.6 | 77.3 | -75.1 | -72.6 | 0 | 0 | 0 | 113.7 | | |
| 639 | S | 31.4 | Very low | 31 | Very low | 101 Ų | 101 | 141.6 Ų | 141.6 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | | | cis | -165.2 | 171.3 | -11.8 | -118 | 0 | 0 | 0 | 0 | 110.5 | | |
| 640 | S | 25.6 | Very low | 31.1 | Very low | 107 Ų | 107 | 144.9 Ų | 144.9 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | | | trans | -60.5 | 134.4 | 179.1 | 51.9 | 0 | 0 | 0 | 0 | 117.4 | | |
| 641 | M | 28.5 | Very low | 31.3 | Very low | 172 Ų | 172 | 145 Ų | 145 | 85% | 0.847 | 72% | 0.72 | S | S | * | * | | | trans | 176.2 | 154.5 | 151.9 | -91.6 | -38.2 | 179.1 | 0 | 0 | 108.3 | | |
| 642 | L | 31.1 | Very low | 31.6 | Very low | 148 Ų | 148 | 142.5 Ų | 142.5 | 78% | 0.775 | 71% | 0.713 | S | S | * | * | | | cis | -128.1 | 165 | -23 | -82.5 | 167.4 | 0 | 0 | 0 | 106.4 | | |
| 643 | H | 27.3 | Very low | 31.9 | Very low | 174 Ų | 174 | 142 Ų | 142 | 81% | 0.806 | 72% | 0.717 | S | S | * | * | | | cis | 99.3 | 37.7 | 9.8 | -135.3 | 110.2 | 0 | 0 | 0 | 119.2 | | |
| 644 | E | 31.5 | Very low | 31.9 | Very low | 186 Ų | 186 | 142 Ų | 142 | 87% | 0.869 | 72% | 0.721 | S | S | * | * | | | trans | -123.4 | 124.6 | 152.1 | -82.7 | -175.9 | 143.3 | 0 | 0 | 108.9 | | |
| 645 | H | 32.4 | Very low | 32 | Very low | 169 Ų | 169 | 142.7 Ų | 142.7 | 78% | 0.782 | 73% | 0.728 | S | S | * | * | | | | 58.2 | 124.5 | 96.8 | -97.7 | -111.3 | 0 | 0 | 0 | 113.6 | | |
| 646 | E | 32.4 | Very low | 31.9 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 68% | 0.682 | 72% | 0.717 | S | S | * | * | | | cis | -143.6 | 168.1 | 21.4 | -94.4 | -164.4 | 130 | 0 | 0 | 114.1 | | |
| 647 | L | 33.1 | Very low | 32 | Very low | 132 Ų | 132 | 139 Ų | 139 | 69% | 0.691 | 72% | 0.721 | S | S | * | * | | | trans | 30.7 | 124 | 144.5 | -54.3 | 165.4 | 0 | 0 | 0 | 117.8 | | |
| 648 | N | 33.2 | Very low | 31.9 | Very low | 134 Ų | 134 | 142.6 Ų | 142.6 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | | | cis | -173.8 | 178.9 | 10 | -131.4 | -13.6 | 0 | 0 | 0 | 107.6 | | |
| 649 | Y | 31.6 | Very low | 31.8 | Very low | 174 Ų | 174 | 138.3 Ų | 138.3 | 68% | 0.682 | 71% | 0.714 | S | S | * | * | | | cis | -152.9 | -178.5 | 8 | -173.5 | -121.7 | 0 | 0 | 0 | 111.2 | | |
| 650 | R | 32.4 | Very low | 32.1 | Very low | 176 Ų | 176 | 139.5 Ų | 139.5 | 66% | 0.664 | 72% | 0.723 | S | S | * | * | | | trans | -68.5 | 173.8 | 170.2 | -77.9 | 157.8 | 155.6 | -142.8 | 11.4 | 114.1 | | |
| 651 | Q | 34.9 | Very low | 32.6 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 61% | 0.607 | 72% | 0.723 | S | S | * | * | | | cis | -168.3 | 170.7 | 2.8 | -111.1 | 166 | -86.7 | 0 | 0 | 106.8 | | |
| 652 | S | 35.8 | Very low | 32.8 | Very low | 68 Ų | 68 | 135.7 Ų | 135.7 | 48% | 0.476 | 72% | 0.715 | S | S | . | * | | | cis | 167.4 | 162.7 | -27.7 | 62.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 653 | Q | 35.6 | Very low | 33 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | | | trans | 65.9 | 161 | 147.4 | -70.8 | 167.4 | 13.5 | 0 | 0 | 116.9 | | |
| 654 | L | 32.1 | Very low | 33.1 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | | | cis | -153.2 | -179.9 | -15.8 | -104.4 | 163.5 | 0 | 0 | 0 | 105.5 | | |
| 655 | L | 30.4 | Very low | 33 | Very low | 142 Ų | 142 | 132.7 Ų | 132.7 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | | | cis | -156 | 175.7 | 12.1 | -138.4 | -170.3 | 0 | 0 | 0 | 108 | | |
| 656 | A | 32.4 | Very low | 33 | Very low | 73 Ų | 73 | 128.5 Ų | 128.5 | 60% | 0.603 | 70% | 0.697 | S | S | * | * | | | trans | 69.7 | 142.7 | 154.9 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 657 | N | 31.7 | Very low | 32.9 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 71% | 0.711 | 70% | 0.704 | S | S | * | * | | | cis | -157.8 | 154.3 | -5.9 | -112.7 | -8 | 0 | 0 | 0 | 112 | | |
| 658 | L | 32.6 | Very low | 32.6 | Very low | 140 Ų | 140 | 129.1 Ų | 129.1 | 73% | 0.733 | 71% | 0.705 | S | S | * | * | | | trans | 41.5 | 116.9 | 146 | -53.5 | 167.7 | 0 | 0 | 0 | 118.9 | | |
| 659 | S | 32 | Very low | 32.6 | Very low | 93 Ų | 93 | 130.6 Ų | 130.6 | 65% | 0.65 | 71% | 0.711 | S | S | * | * | | | cis | 80.2 | 145.1 | 45.7 | 83.5 | 0 | 0 | 0 | 0 | 116.2 | | |
| 660 | S | 37.8 | Very low | 32.3 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 89% | 0.888 | 72% | 0.718 | S | S | * | * | | | trans | 76.3 | 148.9 | 176 | 79.6 | 0 | 0 | 0 | 0 | 116.9 | | |
| 661 | G | 35.9 | Very low | 32.5 | Very low | 72 Ų | 72 | 127 Ų | 127 | 74% | 0.742 | 72% | 0.717 | S | S | * | * | | | cis | 175 | 161.1 | -7.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 662 | N | 32.8 | Very low | 32.2 | Very low | 127 Ų | 127 | 126.3 Ų | 126.3 | 68% | 0.679 | 73% | 0.726 | S | S | * | * | | | trans | -23.5 | 145.3 | 170.5 | -47.5 | -16.8 | 0 | 0 | 0 | 119 | L664 | N662-L664 HydrophobicContact CB-CD1 3.97Å; N662-L664 HydrophobicContact CB-CG 4.18Å |
| 663 | M | 34.2 | Very low | 32 | Very low | 179 Ų | 179 | 128.9 Ų | 128.9 | 88% | 0.882 | 74% | 0.739 | S | S | * | * | | | | -151.9 | 126.6 | 100.9 | -68.5 | -50.3 | 170.5 | 0 | 0 | 107.4 | | |
| 664 | L | 30.8 | Very low | 31.7 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 63% | 0.628 | 74% | 0.736 | S | S | * | * | | | cis | 76.2 | 137.1 | 38.9 | -71.2 | 177.4 | 0 | 0 | 0 | 116.5 | N662 | N662-L664 HydrophobicContact CB-CD1 3.97Å; N662-L664 HydrophobicContact CB-CG 4.18Å |
| 665 | N | 29.5 | Very low | 31.4 | Very low | 146 Ų | 146 | 123.7 Ų | 123.7 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | | | trans | 71.2 | 150 | 160 | -61.5 | -12.4 | 0 | 0 | 0 | 116.4 | | |
| 666 | S | 31.7 | Very low | 31.4 | Very low | 81 Ų | 81 | 123 Ų | 123 | 57% | 0.566 | 73% | 0.734 | S | S | * | * | | | cis | -175.3 | 156 | -8.3 | 42.7 | 0 | 0 | 0 | 0 | 106.8 | | |
| 667 | F | 31 | Very low | 31.3 | Very low | 188 Ų | 188 | 128 Ų | 128 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | | | cis | -156.6 | 160.3 | 44.7 | -93.3 | -84.6 | 0 | 0 | 0 | 109.5 | | |
| 668 | S | 27.1 | Very low | 31.1 | Very low | 102 Ų | 102 | 126.3 Ų | 126.3 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | | | | 38.9 | 129.9 | 100 | -145.6 | 0 | 0 | 0 | 0 | 115 | | |
| 669 | I | 31.7 | Very low | 31 | Very low | 166 Ų | 166 | 124.3 Ų | 124.3 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | | | | -151.4 | 166.7 | 66.2 | -82.7 | 160.1 | 0 | 0 | 0 | 111.9 | | |
| 670 | Q | 26.7 | Very low | 30.8 | Very low | 175 Ų | 175 | 123.4 Ų | 123.4 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | | | trans | -104.3 | -154.2 | -173.5 | -145.2 | -167.9 | -4.5 | 0 | 0 | 112.7 | | |
| 671 | P | 35.9 | Very low | 30.4 | Very low | 100 Ų | 100 | 125.9 Ų | 125.9 | 65% | 0.649 | 73% | 0.73 | S | S | * | * | | | trans | -114 | -159.7 | -130.6 | 44 | -27.4 | 0 | 0 | 0 | 115.4 | | |
| 672 | S | 28.3 | Very low | 29.9 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | | | trans | 75.4 | 155.6 | -175.8 | 79.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 673 | T | 32.4 | Very low | 29.6 | Very low | 122 Ų | 122 | 127 Ų | 127 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | | | cis | -135.7 | 136.8 | 13.8 | 42.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 674 | A | 28.8 | Very low | 29.1 | Very low | 86 Ų | 86 | 127.2 Ų | 127.2 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | | | | 72.4 | 152.7 | 95.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 675 | C | 26.5 | Very low | 28.8 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 76% | 0.757 | 73% | 0.728 | S | S | * | * | | | trans | 68.8 | 152.1 | 172.8 | -64.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 676 | N | 29.3 | Very low | 28.9 | Very low | 127 Ų | 127 | 127 Ų | 127 | 68% | 0.679 | 72% | 0.719 | S | S | * | * | | | cis | -162.5 | 170.2 | -15.1 | -112.4 | -6.1 | 0 | 0 | 0 | 110.1 | | |
| 677 | F | 30.5 | Very low | 28.7 | Very low | 177 Ų | 177 | 127.4 Ų | 127.4 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | | | trans | 65.6 | 127.9 | 177.3 | -64.9 | -84.9 | 0 | 0 | 0 | 113.3 | | |
| 678 | S | 28.4 | Very low | 28.4 | Very low | 99 Ų | 99 | 124.7 Ų | 124.7 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | | | | 67.6 | 134.5 | 53.5 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 679 | S | 29.2 | Very low | 28.3 | Very low | 97 Ų | 97 | 126.1 Ų | 126.1 | 68% | 0.678 | 72% | 0.715 | S | S | * | * | | | cis | -168.5 | -171.5 | -2 | 40.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 680 | S | 28.9 | Very low | 28 | Very low | 74 Ų | 74 | 127.9 Ų | 127.9 | 52% | 0.517 | 71% | 0.712 | S | S | . | * | | | trans | 56.8 | 123.9 | 130.6 | 64.5 | 0 | 0 | 0 | 0 | 118.9 | | |
| 681 | Q | 27.9 | Very low | 27.9 | Very low | 179 Ų | 179 | 123.8 Ų | 123.8 | 84% | 0.836 | 70% | 0.703 | S | S | * | * | | | trans | 75.2 | 157.2 | 130.2 | -69.8 | 167.5 | 10.9 | 0 | 0 | 116.6 | | |
| 682 | S | 26.2 | Very low | 27.4 | Very low | 81 Ų | 81 | 123 Ų | 123 | 57% | 0.566 | 70% | 0.7 | S | S | * | * | | | cis | -173.2 | -161.6 | -25.2 | 56.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 683 | I | 26.3 | Very low | 27.2 | Very low | 142 Ų | 142 | 125 Ų | 125 | 73% | 0.728 | 70% | 0.698 | S | S | * | * | | | trans | 62 | 89.1 | 152.4 | -68.5 | 164 | 0 | 0 | 0 | 113.1 | | |
| 684 | F | 23.7 | Very low | 26.9 | Very low | 184 Ų | 184 | 124.2 Ų | 124.2 | 81% | 0.807 | 70% | 0.698 | S | S | * | * | | | | 44.4 | 110.9 | 87.9 | -96.4 | -92.4 | 0 | 0 | 0 | 114.3 | | |
| 685 | H | 25.5 | Very low | 26.7 | Very low | 170 Ų | 170 | 126.9 Ų | 126.9 | 79% | 0.787 | 70% | 0.699 | S | S | * | * | | | trans | 64 | -176 | 143.2 | -110.4 | -154.5 | 0 | 0 | 0 | 114.9 | | |
| 686 | P | 31.5 | Very low | 26.7 | Very low | 91 Ų | 91 | 127.8 Ų | 127.8 | 59% | 0.591 | 70% | 0.696 | S | S | * | * | | | cis | -117.5 | -149.3 | -36.7 | 23.1 | -2.7 | 0 | 0 | 0 | 108.5 | | |
| 687 | S | 26.5 | Very low | 26.6 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 63% | 0.629 | 69% | 0.694 | S | S | * | * | | | | 61.8 | 121.7 | 127.1 | -80.4 | 0 | 0 | 0 | 0 | 117.3 | | |
| 688 | N | 25.5 | Very low | 26.4 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 70% | 0.695 | 69% | 0.694 | S | S | * | * | | | cis | 159.1 | -176.1 | 27.9 | -123.4 | -16.7 | 0 | 0 | 0 | 105.5 | | |
| 689 | L | 25.1 | Very low | 26.4 | Very low | 133 Ų | 133 | 129.7 Ų | 129.7 | 70% | 0.696 | 69% | 0.691 | S | S | * | * | | | trans | 43.8 | 124.7 | 138.6 | -64 | 168.2 | 0 | 0 | 0 | 118.7 | | |
| 690 | Y | 24.3 | Very low | 26.4 | Very low | 202 Ų | 202 | 130.9 Ų | 130.9 | 79% | 0.792 | 69% | 0.69 | S | S | * | * | | | cis | -174.6 | -131.1 | 1.7 | -157.9 | -135.3 | 0 | 0 | 0 | 106 | | |
| 691 | S | 25.2 | Very low | 26.5 | Very low | 89 Ų | 89 | 132.4 Ų | 132.4 | 62% | 0.622 | 70% | 0.7 | S | S | * | * | | | trans | 37.7 | 127.1 | 131.8 | -63.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 692 | S | 25 | Very low | 26.4 | Very low | 84 Ų | 84 | 132.1 Ų | 132.1 | 59% | 0.587 | 70% | 0.697 | S | S | * | * | | | cis | 178.1 | 150.1 | 3.9 | 40.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 693 | M | 23.8 | Very low | 26.6 | Very low | 155 Ų | 155 | 134.3 Ų | 134.3 | 76% | 0.764 | 71% | 0.707 | S | S | * | * | | | | 34.3 | 105.9 | 129.5 | -51.6 | 175.9 | -83.4 | 0 | 0 | 118.3 | | |
| 694 | S | 27.6 | Very low | 26.7 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 74% | 0.741 | 71% | 0.709 | S | S | * | * | | | | -174.4 | 121 | 124.5 | -99.3 | 0 | 0 | 0 | 0 | 106.3 | | |
| 695 | I | 24.5 | Very low | 26.9 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 73% | 0.728 | 70% | 0.7 | S | S | * | * | | | cis | 52 | 64.3 | 22.8 | -40.8 | -178.5 | 0 | 0 | 0 | 111.3 | | |
| 696 | D | 27 | Very low | 27.3 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | | | | -123.3 | 115.9 | 123.5 | -92.7 | -55.4 | 0 | 0 | 0 | 106.3 | | |
| 697 | N | 25.8 | Very low | 27.2 | Very low | 119 Ų | 119 | 131 Ų | 131 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | | | cis | 82.2 | 146.5 | 43.8 | -166.6 | 17.9 | 0 | 0 | 0 | 112.1 | | |
| 698 | R | 27.5 | Very low | 27.5 | Very low | 206 Ų | 206 | 133.4 Ų | 133.4 | 78% | 0.777 | 71% | 0.707 | S | S | * | * | | | trans | 75.9 | 135.7 | -175.9 | -52.6 | 176.5 | -172.6 | 158.9 | 6.1 | 115.5 | | |
| 699 | N | 27.8 | Very low | 27.6 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 63% | 0.631 | 71% | 0.707 | S | S | * | * | | | cis | -162.1 | 157.9 | -12.3 | -128.3 | 44 | 0 | 0 | 0 | 110.5 | | |
| 700 | D | 28.4 | Very low | 27.9 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 66% | 0.658 | 70% | 0.703 | S | S | * | * | | | trans | 60.5 | 141.5 | 156.7 | -48.2 | -38.9 | 0 | 0 | 0 | 118.1 | | |
| 701 | S | 31.5 | Very low | 28.3 | Very low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 70% | 0.702 | S | S | * | * | | | cis | -147.3 | 125 | 5.7 | 55.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 702 | F | 26.7 | Very low | 28.7 | Very low | 173 Ų | 173 | 131.7 Ų | 131.7 | 76% | 0.759 | 70% | 0.698 | S | S | * | * | | | | 90.7 | 147.9 | 73.2 | -113.5 | -79.5 | 0 | 0 | 0 | 115.3 | | |
| 703 | T | 30 | Very low | 29.2 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 78% | 0.779 | 71% | 0.705 | S | S | * | * | | | trans | 72.1 | 119.7 | 179.7 | 67.3 | 0 | 0 | 0 | 0 | 116 | | |
| 704 | C | 27.1 | Very low | 29.5 | Very low | 113 Ų | 113 | 132 Ų | 132 | 76% | 0.764 | 70% | 0.702 | S | S | * | * | | | cis | 110.4 | 154.8 | 4.9 | -55.4 | 0 | 0 | 0 | 0 | 116 | | |
| 705 | D | 28.4 | Very low | 29.9 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 63% | 0.631 | 70% | 0.704 | S | S | * | * | | | trans | 67.4 | 147 | -174.5 | -98 | -31.6 | 0 | 0 | 0 | 115.6 | R707 | D705-R707 IonicContact OD1-CZ 3.71Å; D705-R707 IonicContact OD1-NE 3.33Å; D705-R707 PolarHBondContact OD1-NE 3.44Å; D705-R707 IonicContact OD1-NH2 3.47Å; D705-R707 PolarHBondContact OD1-NH2 3.02Å; D705-R707 IonicContact OD2-CZ 2.69Å; D705-R707 IonicContact OD2-NE 2.69Å; D705-R707 IonicContact OD2-NH2 3.61Å; D705-R707 PolarHBondContact OD2-NH2 3.09Å |
| 706 | S | 35 | Very low | 30 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 74% | 0.741 | 70% | 0.703 | S | S | * | * | | | cis | -160.1 | 168.1 | 1.3 | 52.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 707 | R | 29.5 | Very low | 30.2 | Very low | 181 Ų | 181 | 132.8 Ų | 132.8 | 68% | 0.683 | 71% | 0.71 | S | S | * | * | | | cis | -173.1 | 150.3 | -23.8 | -97.9 | 174.2 | -153.7 | -176.6 | 9.4 | 106.9 | D705 | D705-R707 IonicContact OD1-CZ 3.71Å; D705-R707 IonicContact OD1-NE 3.33Å; D705-R707 PolarHBondContact OD1-NE 3.44Å; D705-R707 IonicContact OD1-NH2 3.47Å; D705-R707 PolarHBondContact OD1-NH2 3.02Å; D705-R707 IonicContact OD2-CZ 2.69Å; D705-R707 IonicContact OD2-NE 2.69Å; D705-R707 IonicContact OD2-NH2 3.61Å; D705-R707 PolarHBondContact OD2-NH2 3.09Å |
| 708 | I | 30.9 | Very low | 30.5 | Very low | 140 Ų | 140 | 130.4 Ų | 130.4 | 72% | 0.718 | 71% | 0.714 | S | S | * | * | | | trans | 62.7 | 129.9 | 145.7 | -67.7 | 167.1 | 0 | 0 | 0 | 116.6 | | |
| 709 | N | 29.1 | Very low | 30.6 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 70% | 0.695 | 72% | 0.716 | S | S | * | * | | | cis | -160 | 178.3 | 4.9 | -111 | 2.9 | 0 | 0 | 0 | 107.5 | | |
| 710 | L | 31.4 | Very low | 30.6 | Very low | 119 Ų | 119 | 130 Ų | 130 | 62% | 0.623 | 72% | 0.72 | S | S | * | * | | | cis | -135.2 | -126.1 | 3.9 | -132.1 | 160.9 | 0 | 0 | 0 | 107.7 | I712 | L710-I712 HydrophobicContact CD2-CD1 4Å; L710-I712 HydrophobicContact CD2-CG1 4.27Å |
| 711 | H | 32.6 | Very low | 31 | Very low | 165 Ų | 165 | 129.6 Ų | 129.6 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | | | cis | -143.8 | 176.5 | -5.4 | -151.5 | -88.8 | 0 | 0 | 0 | 110.9 | | |
| 712 | I | 33.6 | Very low | 30.9 | Very low | 105 Ų | 105 | 129.7 Ų | 129.7 | 54% | 0.538 | 73% | 0.725 | S | S | . | * | | | trans | -136.2 | 159.2 | -166.4 | -64.3 | 162.1 | 0 | 0 | 0 | 107.6 | L710 | L710-I712 HydrophobicContact CD2-CD1 4Å; L710-I712 HydrophobicContact CD2-CG1 4.27Å |
| 713 | P | 34.9 | Very low | 31.1 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 74% | 0.74 | 72% | 0.722 | S | S | * | * | | | cis | -120.5 | -167.8 | 3.7 | 13 | 14.2 | 0 | 0 | 0 | 113 | | |
| 714 | N | 31 | Very low | 31.1 | Very low | 131 Ų | 131 | 125 Ų | 125 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | | | cis | -177.8 | -176.2 | -37.1 | -90.7 | -14.6 | 0 | 0 | 0 | 106.7 | | |
| 715 | I | 34.1 | Very low | 31.4 | Very low | 152 Ų | 152 | 127.6 Ų | 127.6 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | | | trans | 79.7 | 96.6 | 165.5 | -48.3 | -179.3 | 0 | 0 | 0 | 112.8 | | |
| 716 | C | 28.6 | Very low | 31.6 | Very low | 106 Ų | 106 | 129 Ų | 129 | 72% | 0.716 | 73% | 0.728 | S | S | * | * | | | | 74.4 | 140.1 | 60.1 | -58.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 717 | T | 29.9 | Very low | 31.5 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 84% | 0.84 | 73% | 0.73 | S | S | * | * | | | cis | -166.1 | 149.4 | -5.4 | 13.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 718 | G | 32.3 | Very low | 31.8 | Very low | 70 Ų | 70 | 128.1 Ų | 128.1 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | | | trans | 79.2 | 174.4 | 154.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 719 | Q | 29.1 | Very low | 31.9 | Very low | 174 Ų | 174 | 128.3 Ų | 128.3 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | | | cis | -169.6 | 135.8 | -22.3 | -123.7 | -176.5 | -10.7 | 0 | 0 | 109.9 | | |
| 720 | I | 28.9 | Very low | 32.2 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 73% | 0.728 | 73% | 0.734 | S | S | * | * | | | trans | 66.2 | 135.3 | 148.9 | -64.2 | 161.1 | 0 | 0 | 0 | 119 | | |
| 721 | P | 36.5 | Very low | 32.3 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | | | trans | -101.2 | 171.4 | 177.5 | 40.3 | -36.5 | 0 | 0 | 0 | 113.9 | | |
| 722 | S | 29.2 | Very low | 32.3 | Very low | 107 Ų | 107 | 124.5 Ų | 124.5 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | | | trans | -177.2 | 136.5 | 141.9 | 36.6 | 0 | 0 | 0 | 0 | 117.4 | | |
| 723 | S | 30 | Very low | 32.1 | Very low | 100 Ų | 100 | 128.8 Ų | 128.8 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | | | trans | 72.5 | 150 | 138.5 | 79.2 | 0 | 0 | 0 | 0 | 122.8 | | |
| 724 | S | 31.7 | Very low | 31.9 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | | | trans | 73.4 | 146.7 | 154.5 | -49.5 | 0 | 0 | 0 | 0 | 115.6 | | |
| 725 | M | 31.7 | Very low | 31.8 | Very low | 166 Ų | 166 | 126.8 Ų | 126.8 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | | | cis | -160.1 | -179.1 | -6.5 | -89.2 | -89 | -170.4 | 0 | 0 | 105.5 | | |
| 726 | L | 33.1 | Very low | 31.9 | Very low | 148 Ų | 148 | 124.3 Ų | 124.3 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | | | cis | -156.2 | -170 | 5.3 | -133.8 | 171.4 | 0 | 0 | 0 | 109.6 | | |
| 727 | H | 32.5 | Very low | 32 | Very low | 166 Ų | 166 | 126.9 Ų | 126.9 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | | | trans | -84.8 | -170 | 165.2 | -95.7 | -118.9 | 0 | 0 | 0 | 112.5 | | |
| 728 | P | 37.1 | Very low | 32.3 | Very low | 103 Ų | 103 | 123.4 Ų | 123.4 | 67% | 0.669 | 73% | 0.733 | S | S | * | * | | | cis | -122.5 | -161.2 | -41.4 | 26.7 | -4.7 | 0 | 0 | 0 | 111.1 | | |
| 729 | I | 33.3 | Very low | 32.2 | Very low | 143 Ų | 143 | 127.4 Ų | 127.4 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | | | | -175.3 | 157.6 | 67.3 | -79.7 | 177.4 | 0 | 0 | 0 | 110.3 | | |
| 730 | I | 33.8 | Very low | 32.2 | Very low | 154 Ų | 154 | 124.2 Ų | 124.2 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | | | trans | -124.8 | 136.9 | 168.2 | -57.4 | 165 | 0 | 0 | 0 | 109.2 | A732 | I730-A732 HydrophobicContact CG2-CB 4.45Š|
| 731 | P | 35.2 | Very low | 32.2 | Very low | 112 Ų | 112 | 125 Ų | 125 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | | | | -128.9 | 143.3 | 120 | 6.1 | 15.7 | 0 | 0 | 0 | 111.1 | | |
| 732 | A | 30.9 | Very low | 32 | Very low | 69 Ų | 69 | 126.8 Ų | 126.8 | 57% | 0.57 | 74% | 0.736 | S | S | * | * | | | cis | 94 | 154.1 | 29.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | I730 | I730-A732 HydrophobicContact CG2-CB 4.45Š|
| 733 | F | 30.9 | Very low | 31.8 | Very low | 195 Ų | 195 | 132.1 Ų | 132.1 | 86% | 0.855 | 74% | 0.74 | S | S | * | * | | | trans | 75.8 | 141.6 | 172.2 | -60.6 | -70.2 | 0 | 0 | 0 | 117.5 | | |
| 734 | S | 29.7 | Very low | 31.7 | Very low | 84 Ų | 84 | 132.2 Ų | 132.2 | 59% | 0.587 | 74% | 0.741 | S | S | * | * | | | cis | -159.3 | 138.7 | -15 | -152.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 735 | T | 29.7 | Very low | 31.7 | Very low | 119 Ų | 119 | 133 Ų | 133 | 73% | 0.73 | 74% | 0.741 | S | S | * | * | | | trans | 41.4 | 145.5 | 138.2 | 57.5 | 0 | 0 | 0 | 0 | 124.2 | | |
| 736 | S | 35.3 | Very low | 31.7 | Very low | 100 Ų | 100 | 130.3 Ų | 130.3 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | | | trans | 101.2 | 146.2 | 137.7 | 81.6 | 0 | 0 | 0 | 0 | 118.4 | | |
| 737 | N | 31.9 | Very low | 31.7 | Very low | 160 Ų | 160 | 129.8 Ų | 129.8 | 86% | 0.856 | 72% | 0.724 | S | S | * | * | | | cis | -161.5 | 152 | -25.6 | -103 | -18.6 | 0 | 0 | 0 | 108.8 | | |
| 738 | G | 34.9 | Very low | 31.6 | Very low | 63 Ų | 63 | 131.5 Ų | 131.5 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | | | trans | 130.5 | 108.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 739 | L | 30 | Very low | 31.3 | Very low | 154 Ų | 154 | 129.9 Ų | 129.9 | 81% | 0.806 | 73% | 0.731 | S | S | * | * | | | cis | 59.1 | 123.6 | 35 | -45.1 | 177.4 | 0 | 0 | 0 | 111.2 | | |
| 740 | T | 30.5 | Very low | 31.1 | Very low | 108 Ų | 108 | 131 Ų | 131 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | | | cis | -167.6 | 149.2 | 7.1 | 1.2 | 0 | 0 | 0 | 0 | 111 | | |
| 741 | L | 28.9 | Very low | 31 | Very low | 158 Ų | 158 | 127.9 Ų | 127.9 | 83% | 0.827 | 74% | 0.736 | S | S | * | * | | | trans | 65.2 | 150.2 | 155.4 | -58.3 | 162.3 | 0 | 0 | 0 | 115.1 | | |
| 742 | I | 31.5 | Very low | 30.8 | Very low | 151 Ų | 151 | 127.2 Ų | 127.2 | 77% | 0.774 | 73% | 0.734 | S | S | * | * | | | cis | -136.3 | 112.5 | 1.8 | -61.3 | 173.8 | 0 | 0 | 0 | 104.1 | | |
| 743 | R | 25.9 | Very low | 30.8 | Very low | 218 Ų | 218 | 134.4 Ų | 134.4 | 82% | 0.823 | 75% | 0.748 | S | S | * | * | | | | 57.8 | 109 | 69.9 | -164.4 | -178.3 | -168.1 | 169.3 | 5.9 | 115.4 | | |
| 744 | S | 27.6 | Very low | 30.6 | Very low | 103 Ų | 103 | 130.2 Ų | 130.2 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | | | trans | 62.4 | 144.6 | 164.7 | 63.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 745 | T | 31.7 | Very low | 30.5 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | | | cis | -147.5 | 161.3 | 14.7 | 44.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 746 | N | 31.2 | Very low | 30.6 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 59% | 0.588 | 75% | 0.751 | S | S | * | * | | | cis | -161.6 | 174.1 | -4.6 | -110.8 | 22.3 | 0 | 0 | 0 | 109.9 | | |
| 747 | E | 33 | Very low | 30.2 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 64% | 0.64 | 76% | 0.759 | S | S | * | * | | | trans | 30.8 | 117.3 | 157.3 | -73.2 | 86.4 | -107.7 | 0 | 0 | 120.5 | | |
| 748 | F | 31.4 | Very low | 30.1 | Very low | 202 Ų | 202 | 132.4 Ų | 132.4 | 89% | 0.886 | 75% | 0.752 | S | S | * | * | | | | 54.3 | 106.7 | 89.2 | -70.8 | -71.1 | 0 | 0 | 0 | 112.8 | | |
| 749 | G | 29.5 | Very low | 29.7 | Very low | 69 Ų | 69 | 139.4 Ų | 139.4 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | | | | 97.3 | 124.7 | 87.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 750 | D | 30.4 | Very low | 29.5 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 90% | 0.898 | 76% | 0.759 | S | S | * | * | | | cis | -120 | 146.7 | 44.7 | -71.1 | -48.2 | 0 | 0 | 0 | 116.3 | | |
| 751 | A | 31.3 | Very low | 29.4 | Very low | 88 Ų | 88 | 138.1 Ų | 138.1 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | | | trans | -84.7 | 138.8 | 137.3 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 752 | S | 31.3 | Very low | 29.3 | Very low | 97 Ų | 97 | 136.9 Ų | 136.9 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | | | | -160.6 | 138 | 88.7 | 7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 753 | Y | 29.9 | Very low | 29.3 | Very low | 220 Ų | 220 | 135.6 Ų | 135.6 | 86% | 0.863 | 76% | 0.759 | S | S | * | * | | | trans | 51.8 | 85.4 | 153.7 | -58 | -65.1 | 0 | 0 | 0 | 119.7 | | |
| 754 | P | 26.9 | Very low | 29.7 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | | | trans | -71.3 | 178.8 | 141.3 | 36.6 | -36.3 | 0 | 0 | 0 | 111.2 | | |
| 755 | L | 28 | Very low | 30.3 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 90% | 0.901 | 76% | 0.761 | S | S | * | * | | | trans | 76.9 | 145.3 | 176.5 | -51.7 | 157.7 | 0 | 0 | 0 | 114.3 | | |
| 756 | A | 31.4 | Very low | 30.5 | Very low | 78 Ų | 78 | 135 Ų | 135 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | | | cis | -133.1 | 124.7 | 3.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V758 | A756-V758 HydrophobicContact CB-CG2 4.33Å; A756-V758 PolarHBondContact O-N 3.39Å |
| 757 | T | 27.9 | Very low | 30.6 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | | | trans | -67.9 | 100.3 | 149.6 | 44.1 | 0 | 0 | 0 | 0 | 108.8 | R759 | T757-R759 PolarHBondContact O-N 3.42Š|
| 758 | V | 28.2 | Very low | 30.4 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | | | trans | -80.6 | 95.8 | 163.8 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | A756 C760 | A756-V758 HydrophobicContact CB-CG2 4.33Å; A756-V758 PolarHBondContact O-N 3.39Å; V758-C760 PolarHBondContact O-N 2.66Å |
| 759 | R | 26.5 | Very low | 30.5 | Very low | 210 Ų | 210 | 132.5 Ų | 132.5 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | | | trans | -69.8 | 105 | 159.1 | -91.2 | 173.7 | 149.6 | 167.6 | -7.5 | 108.1 | T757 I761 | T757-R759 PolarHBondContact O-N 3.42Å; R759-I761 HydrophobicContact CB-CD1 4.26Å; R759-I761 HydrophobicContact CB-CG1 4.27Å; R759-I761 HydrophobicContact CG-CD1 4.32Å |
| 760 | C | 26.1 | Very low | 30.5 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | | | trans | -87.2 | 107.3 | 153.8 | -72.2 | 0 | 0 | 0 | 0 | 107.6 | V758 | V758-C760 PolarHBondContact O-N 2.66Š|
| 761 | I | 29.3 | Very low | 30.3 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 60% | 0.595 | 77% | 0.765 | S | S | * | * | | | trans | -102.9 | 118.2 | 176.1 | -76 | 170.5 | 0 | 0 | 0 | 107.6 | R759 | R759-I761 HydrophobicContact CB-CD1 4.26Å; R759-I761 HydrophobicContact CB-CG1 4.27Å; R759-I761 HydrophobicContact CG-CD1 4.32Å |
| 762 | T | 27 | Very low | 30.1 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | | | trans | 39.8 | 119.5 | 158.5 | 61 | 0 | 0 | 0 | 0 | 120.2 | | |
| 763 | S | 31 | Very low | 29.8 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | | | trans | -151.5 | 143.9 | 135.4 | 59 | 0 | 0 | 0 | 0 | 110.1 | | |
| 764 | E | 33.7 | Very low | 29.8 | Very low | 192 Ų | 192 | 140.1 Ų | 140.1 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | | | trans | -87.5 | 173 | -170.3 | -88.3 | 174.8 | 150.2 | 0 | 0 | 113.9 | | |
| 765 | P | 40.6 | Very low | 29.7 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | | | trans | -97.9 | -171.5 | -160 | 40.8 | -37.8 | 0 | 0 | 0 | 113.6 | | |
| 766 | P | 37.1 | Very low | 29.8 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | | | trans | -114.5 | 154.5 | 140.1 | 36.2 | -30.1 | 0 | 0 | 0 | 112.3 | | |
| 767 | E | 31.5 | Very low | 29.8 | Very low | 158 Ų | 158 | 144.7 Ų | 144.7 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | | | trans | -95.7 | 172 | -178.3 | -55.9 | -178.9 | 144.8 | 0 | 0 | 113.5 | | |
| 768 | N | 30.6 | Very low | 30 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | | | trans | 71.6 | 144.3 | 160.9 | -53.2 | -51.7 | 0 | 0 | 0 | 115.5 | | |
| 769 | S | 32.5 | Very low | 30.1 | Very low | 105 Ų | 105 | 145.4 Ų | 145.4 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | cis | -148.5 | 148.4 | 29.7 | 39.1 | 0 | 0 | 0 | 0 | 116.1 | | |
| 770 | F | 29 | Very low | 30.5 | Very low | 172 Ų | 172 | 140.6 Ų | 140.6 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | | | trans | 35.9 | 105.1 | 147.9 | -65.9 | -79.9 | 0 | 0 | 0 | 122.2 | | |
| 771 | E | 25.9 | Very low | 31 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | | | | 33.2 | 117.8 | 105.6 | -175.9 | 175.3 | -131.3 | 0 | 0 | 119.5 | | |
| 772 | F | 28.2 | Very low | 31.7 | Very low | 181 Ų | 181 | 138 Ų | 138 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | | | | -159.1 | 144.6 | 117.8 | -135.4 | -101.2 | 0 | 0 | 0 | 113.4 | M774 | F772-M774 HydrophobicContact CE1-CE 4.46Š|
| 773 | T | 25.7 | Very low | 32.1 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | | | trans | -95 | 145.3 | 175.4 | 49.1 | 0 | 0 | 0 | 0 | 113 | | |
| 774 | M | 29.2 | Very low | 32.2 | Very low | 176 Ų | 176 | 138.4 Ų | 138.4 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | | | trans | -156 | 158 | 141 | -121.3 | 172.6 | -76.4 | 0 | 0 | 114 | F772 | F772-M774 HydrophobicContact CE1-CE 4.46Š|
| 775 | R | 24.6 | Very low | 32.2 | Very low | 211 Ų | 211 | 133.1 Ų | 133.1 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | | | trans | -83 | 164.9 | 173 | -56.6 | 169 | 178.3 | 161.3 | -1.9 | 107.9 | | |
| 776 | T | 30.7 | Very low | 31.7 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | cis | -164.2 | 160.5 | 49.1 | 46.4 | 0 | 0 | 0 | 0 | 114 | | |
| 777 | S | 30.2 | Very low | 31.4 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | | | trans | 20.4 | 138.9 | 149.1 | 61.2 | 0 | 0 | 0 | 0 | 124.2 | | |
| 778 | G | 31.6 | Very low | 31.4 | Very low | 72 Ų | 72 | 137.9 Ų | 137.9 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | | | | 142.7 | 87.2 | 128.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 779 | F | 30.8 | Very low | 31.4 | Very low | 202 Ų | 202 | 139.2 Ų | 139.2 | 89% | 0.886 | 76% | 0.756 | S | S | * | * | | | trans | 49.1 | 117.4 | 140.3 | -88.8 | -93.4 | 0 | 0 | 0 | 125 | | |
| 780 | S | 36 | Very low | 31.2 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | | | trans | 62 | 135.5 | 135.4 | 57.3 | 0 | 0 | 0 | 0 | 124.8 | | |
| 781 | G | 35.8 | Very low | 31.3 | Very low | 69 Ų | 69 | 138.8 Ų | 138.8 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | | | trans | -109.6 | -133.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 782 | P | 43.5 | Very low | 31.6 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | | | cis | -141 | -173.4 | -23.9 | 37.3 | -16.5 | 0 | 0 | 0 | 114.9 | | |
| 783 | H | 35.6 | Very low | 31.9 | Very low | 148 Ų | 148 | 133.6 Ų | 133.6 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | | | trans | 143 | 131.1 | 138.9 | -84.9 | -81 | 0 | 0 | 0 | 121.1 | | |
| 784 | T | 34.1 | Very low | 32.3 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 71% | 0.712 | 76% | 0.757 | S | S | * | * | | | trans | 65.3 | 153.6 | 142.7 | 53.7 | 0 | 0 | 0 | 0 | 123.5 | | |
| 785 | A | 32.3 | Very low | 32.2 | Very low | 81 Ų | 81 | 131.5 Ų | 131.5 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | | | cis | -173.6 | 163.6 | -19.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 786 | R | 31.6 | Very low | 32.4 | Very low | 246 Ų | 246 | 130.2 Ų | 130.2 | 93% | 0.928 | 75% | 0.745 | S | S | * | * | | | trans | 65.6 | 152.1 | 166.5 | -71.7 | 174.9 | 167.6 | 157.8 | -4.4 | 116.9 | | |
| 787 | S | 30.2 | Very low | 32.3 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | | | cis | -171.8 | -166.9 | -14.4 | 52.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 788 | H | 32 | Very low | 32.2 | Very low | 147 Ų | 147 | 130 Ų | 130 | 68% | 0.681 | 74% | 0.737 | S | S | * | * | | | cis | -170.9 | 165.2 | 7.2 | -139.7 | -65 | 0 | 0 | 0 | 111.2 | | |
| 789 | F | 29.4 | Very low | 32 | Very low | 162 Ų | 162 | 131.4 Ų | 131.4 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | | | trans | 67 | 114.2 | 166.3 | -76 | -87.5 | 0 | 0 | 0 | 119.9 | | |
| 790 | I | 29.6 | Very low | 31.9 | Very low | 138 Ų | 138 | 127.1 Ų | 127.1 | 71% | 0.708 | 73% | 0.726 | S | S | * | * | | | | 73.5 | 121.6 | 91.1 | -69.2 | -168.1 | 0 | 0 | 0 | 114.1 | | |
| 791 | T | 31.3 | Very low | 31.4 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 80% | 0.798 | 73% | 0.726 | S | S | * | * | | | | -158.8 | 179 | 69.6 | -26.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 792 | T | 31.1 | Very low | 31 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 76% | 0.761 | 72% | 0.722 | S | S | * | * | | | trans | -120 | -170.4 | -171 | 48.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 793 | P | 35.8 | Very low | 30.3 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 70% | 0.695 | 72% | 0.724 | S | S | * | * | | | | -130.9 | -137.6 | -51.5 | 38.8 | -20.4 | 0 | 0 | 0 | 111.7 | | |
| 794 | L | 32.3 | Very low | 29.8 | Very low | 149 Ų | 149 | 131.1 Ų | 131.1 | 78% | 0.78 | 73% | 0.727 | S | S | * | * | | | trans | 95.5 | 142 | 168.8 | -55.4 | -179.8 | 0 | 0 | 0 | 116.8 | | |
| 795 | T | 27.7 | Very low | 29.5 | Very low | 99 Ų | 99 | 132 Ų | 132 | 61% | 0.607 | 73% | 0.727 | S | S | * | * | | | cis | -176.9 | 169.1 | -43.8 | 23 | 0 | 0 | 0 | 0 | 108.8 | | |
| 796 | F | 28.8 | Very low | 29.4 | Very low | 184 Ų | 184 | 134 Ų | 134 | 81% | 0.807 | 73% | 0.726 | S | S | * | * | | | trans | 75.8 | 130.8 | 177.2 | -57.7 | -85.5 | 0 | 0 | 0 | 114.4 | | |
| 797 | S | 28.5 | Very low | 29.1 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 65% | 0.65 | 72% | 0.716 | S | S | * | * | | | cis | 80 | 138.6 | 41.8 | -67.1 | 0 | 0 | 0 | 0 | 113 | | |
| 798 | N | 28.1 | Very low | 29 | Very low | 144 Ų | 144 | 131.7 Ų | 131.7 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | | | cis | -157.2 | 177.6 | 1.5 | -108 | -0.1 | 0 | 0 | 0 | 109.7 | | |
| 799 | S | 27.1 | Very low | 28.8 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | | | trans | 19.9 | 150 | 137 | -132.7 | 0 | 0 | 0 | 0 | 119.8 | | |
| 800 | V | 29 | Very low | 28.7 | Very low | 113 Ų | 113 | 132 Ų | 132 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | | | | -152.9 | 159.1 | 52.3 | 179.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 801 | E | 26.5 | Very low | 28.8 | Very low | 163 Ų | 163 | 131.6 Ų | 131.6 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | | | trans | -41.6 | 161.6 | 162.5 | -50.8 | 144.4 | 106.7 | 0 | 0 | 114.6 | | |
| 802 | S | 27.7 | Very low | 29.1 | Very low | 90 Ų | 90 | 130.3 Ų | 130.3 | 63% | 0.629 | 74% | 0.736 | S | S | * | * | | | | 160.9 | 125.1 | 108.8 | -74.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 803 | T | 27 | Very low | 29.1 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 77% | 0.767 | 74% | 0.736 | S | S | * | * | | | trans | 62.1 | 158.2 | 140.3 | 64.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 804 | L | 26.3 | Very low | 29.1 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | | | cis | -163.9 | 164 | -20.2 | -109.9 | 169 | 0 | 0 | 0 | 107.9 | | |
| 805 | L | 28.2 | Very low | 29.3 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 71% | 0.707 | 74% | 0.738 | S | S | * | * | | | trans | 72.3 | 135 | 153.9 | -69 | 156.2 | 0 | 0 | 0 | 121.1 | | |
| 806 | N | 28.7 | Very low | 29.6 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 66% | 0.658 | 74% | 0.742 | S | S | * | * | | | trans | 74 | 92.5 | 143.1 | -61.1 | -10.5 | 0 | 0 | 0 | 121.9 | | |
| 807 | N | 26.5 | Very low | 30 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | | | | 34.5 | 119.8 | 108.9 | -50.5 | -18.4 | 0 | 0 | 0 | 119.2 | | |
| 808 | N | 28.2 | Very low | 30.3 | Very low | 162 Ų | 162 | 134.8 Ų | 134.8 | 87% | 0.866 | 74% | 0.743 | S | S | * | * | | | | -179.2 | 164.2 | 99.3 | -90.3 | -40.3 | 0 | 0 | 0 | 114.1 | | |
| 809 | F | 27.2 | Very low | 30.7 | Very low | 199 Ų | 199 | 133.5 Ų | 133.5 | 87% | 0.873 | 73% | 0.732 | S | S | * | * | | | trans | -82.1 | 152.2 | -179.2 | -88.5 | -117.6 | 0 | 0 | 0 | 114.1 | | |
| 810 | S | 26.3 | Very low | 30.9 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | | | | 176.5 | 170.4 | 115.9 | -76.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 811 | T | 31.9 | Very low | 31.1 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | | | trans | -124.9 | -153.6 | -172.3 | 57.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 812 | P | 37.2 | Very low | 31.2 | Very low | 102 Ų | 102 | 132.9 Ų | 132.9 | 66% | 0.662 | 73% | 0.733 | S | S | * | * | | | cis | -141.1 | -159.5 | -18.4 | 26.2 | 1.4 | 0 | 0 | 0 | 115.4 | | |
| 813 | I | 31.5 | Very low | 31.4 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | | | trans | 106.2 | 108 | 145.7 | -54.2 | -176.7 | 0 | 0 | 0 | 122.4 | | |
| 814 | N | 35.9 | Very low | 31.7 | Very low | 148 Ų | 148 | 139.1 Ų | 139.1 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | | | | 39.6 | -171.1 | 111.6 | -119.5 | 1.3 | 0 | 0 | 0 | 122.4 | | |
| 815 | P | 37.6 | Very low | 32.5 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | | | cis | -103.3 | -160.9 | -2.5 | 45.8 | -36.4 | 0 | 0 | 0 | 113.2 | | |
| 816 | S | 34.2 | Very low | 32.5 | Very low | 98 Ų | 98 | 136.3 Ų | 136.3 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | | | cis | -164.1 | -172.9 | 9.2 | 68.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 817 | H | 36.3 | Very low | 32.5 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 78% | 0.782 | 74% | 0.739 | S | S | * | * | | | cis | -167.7 | -167.7 | -11.7 | -123 | -24.5 | 0 | 0 | 0 | 107.3 | | |
| 818 | Y | 34 | Very low | 32.8 | Very low | 176 Ų | 176 | 135.8 Ų | 135.8 | 69% | 0.69 | 74% | 0.738 | S | S | * | * | | | cis | -145.6 | -100.6 | 6.4 | -163.9 | -141.4 | 0 | 0 | 0 | 115 | | |
| 819 | H | 36.6 | Very low | 33 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 54% | 0.542 | 73% | 0.731 | S | S | . | * | | | trans | -147.7 | 177.3 | -157 | -87.8 | -159.1 | 0 | 0 | 0 | 110.6 | | |
| 820 | Q | 32.9 | Very low | 33 | Very low | 159 Ų | 159 | 130 Ų | 130 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | | | cis | -177.7 | -177.6 | -10.8 | -99.8 | 175.3 | -29.7 | 0 | 0 | 106.6 | | |
| 821 | S | 32.1 | Very low | 33.2 | Very low | 98 Ų | 98 | 128.5 Ų | 128.5 | 69% | 0.685 | 72% | 0.72 | S | S | * | * | | | cis | 178.2 | 168.9 | -29.4 | 72.9 | 0 | 0 | 0 | 0 | 107 | | |
| 822 | S | 29.9 | Very low | 33.1 | Very low | 106 Ų | 106 | 128.3 Ų | 128.3 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | | | cis | -174.4 | -158.8 | -17.6 | 53.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 823 | I | 31.7 | Very low | 32.9 | Very low | 168 Ų | 168 | 131.2 Ų | 131.2 | 86% | 0.862 | 72% | 0.723 | S | S | * | * | | | trans | 100.5 | 141.7 | 168.5 | -60.5 | 174.3 | 0 | 0 | 0 | 119.2 | | |
| 824 | H | 32 | Very low | 32.7 | Very low | 178 Ų | 178 | 129.5 Ų | 129.5 | 82% | 0.824 | 72% | 0.72 | S | S | * | * | | | trans | -115.8 | -167.1 | -172.6 | -124 | -39.1 | 0 | 0 | 0 | 109 | | |
| 825 | P | 43 | Very low | 32.1 | Very low | 89 Ų | 89 | 127.2 Ų | 127.2 | 58% | 0.578 | 72% | 0.721 | S | S | * | * | | | cis | -136 | -154.8 | -21.4 | 27.6 | -1.1 | 0 | 0 | 0 | 112.3 | | |
| 826 | N | 28.2 | Very low | 31.7 | Very low | 131 Ų | 131 | 126.5 Ų | 126.5 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | | | trans | 109 | 121.9 | 132.1 | -84.2 | -6 | 0 | 0 | 0 | 123.7 | | |
| 827 | L | 30.1 | Very low | 31.4 | Very low | 131 Ų | 131 | 126.3 Ų | 126.3 | 69% | 0.686 | 73% | 0.729 | S | S | * | * | | | | 88.2 | 129 | 130 | -101.5 | 78.2 | 0 | 0 | 0 | 123.1 | | |
| 828 | T | 32.1 | Very low | 30.9 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | | | trans | 70.3 | 142.9 | 141.3 | 49 | 0 | 0 | 0 | 0 | 119.8 | | |
| 829 | T | 31.4 | Very low | 30.6 | Very low | 117 Ų | 117 | 121.2 Ų | 121.2 | 72% | 0.718 | 74% | 0.738 | S | S | * | * | | | cis | -156.3 | 155.5 | 3 | 0.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 830 | V | 28.6 | Very low | 30.4 | Very low | 123 Ų | 123 | 123.5 Ų | 123.5 | 75% | 0.745 | 75% | 0.753 | S | S | * | * | | | trans | 49.8 | 107.5 | 139.9 | 171.3 | 0 | 0 | 0 | 0 | 116.9 | | |
| 831 | A | 29.5 | Very low | 30.1 | Very low | 85 Ų | 85 | 121 Ų | 121 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | | | | 59.7 | 140.4 | 70.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 832 | T | 30.3 | Very low | 29.9 | Very low | 125 Ų | 125 | 120.1 Ų | 120.1 | 77% | 0.767 | 76% | 0.758 | S | S | * | * | | | cis | -133.5 | -168.6 | 8.2 | 50 | 0 | 0 | 0 | 0 | 107.6 | | |
| 833 | E | 33.5 | Very low | 29.7 | Very low | 163 Ų | 163 | 121.7 Ų | 121.7 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | | | cis | -128 | 164.9 | 12.9 | -80.8 | -147.6 | 84.5 | 0 | 0 | 110.4 | | |
| 834 | V | 26.1 | Very low | 29.5 | Very low | 113 Ų | 113 | 121.3 Ų | 121.3 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | | | cis | 87.1 | 121.6 | 28 | -179.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 835 | A | 24.1 | Very low | 29.3 | Very low | 99 Ų | 99 | 117 Ų | 117 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | | | trans | 69.9 | 99.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 836 | A | 29.6 | Very low | 28.5 | Very low | 98 Ų | 98 | 118.2 Ų | 118.2 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | | | trans | -145.9 | 108.5 | 142.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 837 | A | 28 | Very low | 28.5 | Very low | 93 Ų | 93 | 117 Ų | 117 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | | | | 68 | 91.3 | 90.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 838 | V | 26 | Very low | 28.4 | Very low | 147 Ų | 147 | 115.2 Ų | 115.2 | 89% | 0.891 | 75% | 0.753 | S | S | * | * | | | | 70 | 86.9 | 67.3 | -175.8 | 0 | 0 | 0 | 0 | 114 | | |
| 839 | A | 27.9 | Very low | 28.2 | Very low | 92 Ų | 92 | 115.8 Ų | 115.8 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | | | trans | -172.7 | 122.8 | 156.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 840 | L | 30.6 | Very low | 28 | Very low | 165 Ų | 165 | 117.1 Ų | 117.1 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | | | cis | -124.3 | 138 | -16 | -76 | 87.2 | 0 | 0 | 0 | 109.5 | | |
| 841 | A | 28 | Very low | 28.1 | Very low | 105 Ų | 105 | 117.6 Ų | 117.6 | 87% | 0.868 | 76% | 0.756 | S | S | * | * | | | trans | -139.7 | 82.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 842 | A | 27 | Very low | 28 | Very low | 80 Ų | 80 | 124.4 Ų | 124.4 | 66% | 0.661 | 76% | 0.763 | S | S | * | * | | | trans | -165.6 | 143.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 843 | N | 26.3 | Very low | 28 | Very low | 139 Ų | 139 | 123.5 Ų | 123.5 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | | | cis | -152.5 | 147.2 | -6.7 | -112 | -17 | 0 | 0 | 0 | 111.7 | | |
| 844 | H | 27.5 | Very low | 28.1 | Very low | 160 Ų | 160 | 121.8 Ų | 121.8 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | | | trans | 21.6 | 114.5 | 146.2 | -76.5 | -78 | 0 | 0 | 0 | 121.4 | | |
| 845 | S | 27 | Very low | 28.4 | Very low | 88 Ų | 88 | 123.8 Ų | 123.8 | 62% | 0.615 | 77% | 0.769 | S | S | * | * | | | | 24.6 | 127.6 | 115.8 | 63.2 | 0 | 0 | 0 | 0 | 120.3 | | |
| 846 | S | 27.2 | Very low | 29 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | 75.9 | 107.9 | 137.8 | -56.9 | 0 | 0 | 0 | 0 | 120.6 | | |
| 847 | S | 27.7 | Very low | 29.1 | Very low | 105 Ų | 105 | 124 Ų | 124 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | | | | 55.4 | 112.5 | 126.4 | -150.6 | 0 | 0 | 0 | 0 | 121 | | |
| 848 | S | 27.6 | Very low | 29.5 | Very low | 94 Ų | 94 | 127.3 Ų | 127.3 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | | | | 63.4 | 118.4 | 129.8 | 67.7 | 0 | 0 | 0 | 0 | 121.9 | | |
| 849 | V | 28.1 | Very low | 29.6 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | | | | 84.8 | 120 | 125.1 | 171.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 850 | I | 27.9 | Very low | 29.7 | Very low | 145 Ų | 145 | 126.3 Ų | 126.3 | 74% | 0.744 | 74% | 0.738 | S | S | * | * | | | trans | 83.2 | 111.9 | 155.6 | -70.6 | 165.5 | 0 | 0 | 0 | 120.9 | | |
| 851 | N | 29.4 | Very low | 29.7 | Very low | 133 Ų | 133 | 127 Ų | 127 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | | | trans | 31.2 | 122.1 | 139.8 | -60.5 | -32.5 | 0 | 0 | 0 | 124 | | |
| 852 | R | 29.1 | Very low | 30 | Very low | 227 Ų | 227 | 129.4 Ų | 129.4 | 86% | 0.857 | 73% | 0.732 | S | S | * | * | | | | 70.3 | 135.4 | 126.7 | -68.6 | -171 | -178.8 | -162.1 | 0.4 | 122.2 | | |
| 853 | C | 29.8 | Very low | 30.8 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 72% | 0.716 | 73% | 0.731 | S | S | * | * | | | trans | 85.4 | 99.6 | 144.4 | -70.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 854 | T | 34.6 | Very low | 31.3 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | | | | 60 | 103 | 125.7 | 57.3 | 0 | 0 | 0 | 0 | 122.2 | | |
| 855 | D | 32.3 | Very low | 31.7 | Very low | 155 Ų | 155 | 129 Ų | 129 | 83% | 0.829 | 73% | 0.729 | S | S | * | * | | | | 69.3 | 169.2 | 119.3 | -122 | 27.8 | 0 | 0 | 0 | 119.7 | | |
| 856 | P | 37.8 | Very low | 32.1 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 65% | 0.649 | 74% | 0.735 | S | S | * | * | | | | -134.4 | -175.7 | -103.8 | 41.6 | -23.5 | 0 | 0 | 0 | 116.8 | | |
| 857 | S | 32 | Very low | 32.6 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | | | trans | 115 | 150.7 | 145.4 | 81.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 858 | Q | 35.3 | Very low | 33 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | | | trans | 89.2 | 110.5 | 154.4 | -63.9 | -170.1 | 43.4 | 0 | 0 | 124.4 | | |
| 859 | I | 28.8 | Very low | 33.4 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 66% | 0.656 | 74% | 0.739 | S | S | * | * | | | | 79.8 | 90.8 | 116.6 | -64.2 | 174.2 | 0 | 0 | 0 | 122.2 | | |
| 860 | S | 28.9 | Very low | 33.6 | Very low | 91 Ų | 91 | 132.3 Ų | 132.3 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | | | | 73.5 | 175.4 | 119.6 | 79.7 | 0 | 0 | 0 | 0 | 126.4 | | |
| 861 | F | 31.9 | Very low | 34 | Very low | 178 Ų | 178 | 137.5 Ų | 137.5 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | | | trans | 102.5 | 88.3 | 159.9 | -72.7 | -66.4 | 0 | 0 | 0 | 123.6 | | |
| 862 | L | 33.2 | Very low | 34.3 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | | | | 52.1 | 160.5 | 125 | -85.8 | 92.9 | 0 | 0 | 0 | 126.1 | | |
| 863 | P | 44.6 | Very low | 34.5 | Very low | 99 Ų | 99 | 129.8 Ų | 129.8 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | | | trans | -117.6 | -167.1 | -172.9 | 45.5 | -33.5 | 0 | 0 | 0 | 114.6 | | |
| 864 | N | 36.4 | Very low | 35 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | | | trans | 178 | 157.5 | 142.3 | -100.4 | -24.6 | 0 | 0 | 0 | 120.7 | | |
| 865 | N | 36.7 | Very low | 34.8 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | | | trans | 75.5 | 160 | 145.9 | -65.2 | -4.2 | 0 | 0 | 0 | 125 | | |
| 866 | I | 35.4 | Very low | 35.3 | Very low | 144 Ų | 144 | 129.1 Ų | 129.1 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | | | cis | 176.5 | 168 | -47.6 | -98.8 | 168.6 | 0 | 0 | 0 | 112.5 | | |
| 867 | V | 37.6 | Very low | 35.3 | Very low | 134 Ų | 134 | 129.2 Ų | 129.2 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | | | trans | 84.1 | 147.7 | 173.3 | -161.1 | 0 | 0 | 0 | 0 | 117.7 | | |
| 868 | G | 36.3 | Very low | 35.5 | Very low | 62 Ų | 62 | 133.6 Ų | 133.6 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | | | cis | 134.8 | 166.6 | -5.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 869 | L | 34.7 | Very low | 35.6 | Very low | 159 Ų | 159 | 130.9 Ų | 130.9 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | | | cis | -172.5 | 124.8 | -11.1 | -99 | 164.3 | 0 | 0 | 0 | 114.2 | | |
| 870 | S | 33.6 | Very low | 36.2 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | | | trans | 79.1 | 162 | 139.3 | -54.1 | 0 | 0 | 0 | 0 | 127 | | |
| 871 | R | 34.9 | Very low | 36.4 | Very low | 254 Ų | 254 | 134.6 Ų | 134.6 | 96% | 0.958 | 76% | 0.764 | S | S | * | * | | | trans | 99.3 | 144.6 | 157.5 | -57 | 173.6 | 178.7 | 179.9 | -0.5 | 119.3 | | |
| 872 | G | 35.9 | Very low | 36.5 | Very low | 76 Ų | 76 | 134.9 Ų | 134.9 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | | | cis | 163.6 | 142.9 | -18.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 873 | S | 33.9 | Very low | 36.7 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | | | trans | 65.7 | 122.3 | 142.6 | -168.9 | 0 | 0 | 0 | 0 | 126 | | |
| 874 | S | 40.3 | Very low | 36.3 | Very low | 120 Ų | 120 | 133 Ų | 133 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | | | | 169.8 | 175 | 124 | 47.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 875 | N | 30.2 | Very low | 36.1 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | | | trans | -158.9 | -172.6 | -159.8 | -134.7 | -5.5 | 0 | 0 | 0 | 110.9 | | |
| 876 | P | 42.8 | Very low | 35.9 | Very low | 100 Ų | 100 | 135 Ų | 135 | 65% | 0.649 | 77% | 0.772 | S | S | * | * | | | cis | -136.6 | -169.2 | -35.1 | 39.3 | -20.3 | 0 | 0 | 0 | 114.9 | | |
| 877 | S | 37.3 | Very low | 35.7 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | | | | 135.6 | 149.4 | 128.9 | 73 | 0 | 0 | 0 | 0 | 121.9 | | |
| 878 | F | 36 | Very low | 35.4 | Very low | 191 Ų | 191 | 132.3 Ų | 132.3 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | | | trans | 69.4 | 96.5 | 162.8 | -71.6 | -77 | 0 | 0 | 0 | 125 | | |
| 879 | S | 37.7 | Very low | 35.1 | Very low | 107 Ų | 107 | 133 Ų | 133 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | | 41.8 | 161.5 | 112.1 | -70.6 | 0 | 0 | 0 | 0 | 124.8 | | |
| 880 | P | 41.2 | Very low | 35 | Very low | 99 Ų | 99 | 131 Ų | 131 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | | | cis | -144.4 | -179.5 | -22.5 | 33.2 | -10 | 0 | 0 | 0 | 117.7 | | |
| 881 | Y | 34.5 | Very low | 34.8 | Very low | 198 Ų | 198 | 132.3 Ų | 132.3 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | trans | 70.3 | 137.9 | 164.7 | -63.7 | -73.5 | 0 | 0 | 0 | 120.4 | | |
| 882 | F | 32.7 | Very low | 34.7 | Very low | 184 Ų | 184 | 126.2 Ų | 126.2 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | | | cis | -162.4 | 176.4 | -25.8 | -126.8 | -137.4 | 0 | 0 | 0 | 109.7 | | |
| 883 | P | 38.7 | Very low | 34.6 | Very low | 98 Ų | 98 | 128.3 Ų | 128.3 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | | | trans | -126 | -145.1 | -140.1 | 50.1 | -37 | 0 | 0 | 0 | 112.2 | | |
| 884 | P | 35.5 | Very low | 34.4 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | | | cis | -115.7 | 178.2 | -24.1 | 41.2 | -26.1 | 0 | 0 | 0 | 111.7 | | |
| 885 | S | 33 | Very low | 33.7 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | | | cis | -155.1 | 131.9 | 32.3 | 42.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 886 | F | 30.9 | Very low | 33.8 | Very low | 206 Ų | 206 | 128.7 Ų | 128.7 | 90% | 0.904 | 74% | 0.743 | S | S | * | * | | | trans | -124.5 | 174.4 | 153.7 | -97 | -84.2 | 0 | 0 | 0 | 104.9 | | |
| 887 | P | 32.3 | Very low | 33 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | | | cis | -144.6 | -174.7 | 28.9 | 44.3 | -24.2 | 0 | 0 | 0 | 117.2 | | |
| 888 | S | 30 | Very low | 32.7 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | -80.2 | 173.8 | 161.7 | 54.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 889 | A | 30.7 | Very low | 32.2 | Very low | 76 Ų | 76 | 132.8 Ų | 132.8 | 63% | 0.628 | 75% | 0.748 | S | S | * | * | | | trans | 93.2 | 104.6 | 147.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 890 | T | 33.2 | Very low | 32 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | | | trans | 72.6 | 155.7 | 147.4 | 71.9 | 0 | 0 | 0 | 0 | 117.1 | I892 | T890-I892 HydrophobicContact CG2-CG1 4.25Š|
| 891 | P | 28.5 | Very low | 31.5 | Very low | 126 Ų | 126 | 137 Ų | 137 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | | -109 | 163 | 67.2 | 36.3 | -37.7 | 0 | 0 | 0 | 115.9 | | |
| 892 | I | 32.8 | Very low | 31 | Very low | 126 Ų | 126 | 135 Ų | 135 | 65% | 0.646 | 76% | 0.759 | S | S | * | * | | | trans | -102.9 | 138.9 | 170.8 | -62 | 164.4 | 0 | 0 | 0 | 108.8 | T890 L894 | T890-I892 HydrophobicContact CG2-CG1 4.25Å; I892-L894 HydrophobicContact CG2-CD2 4.5Å; I892-L894 HydrophobicContact CG2-CG 4.3Å |
| 893 | P | 33.6 | Very low | 30.8 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | | | trans | -122.3 | 105.4 | 142 | 32.1 | -21 | 0 | 0 | 0 | 109.2 | | |
| 894 | L | 29.8 | Very low | 30.2 | Very low | 140 Ų | 140 | 133.5 Ų | 133.5 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | | | | 61.1 | 85.2 | 79.5 | -62.7 | -177.7 | 0 | 0 | 0 | 113.5 | I892 | I892-L894 HydrophobicContact CG2-CD2 4.5Å; I892-L894 HydrophobicContact CG2-CG 4.3Å |
| 895 | L | 26.3 | Very low | 29.9 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | | | trans | 31.5 | 137.5 | 133.8 | -68.9 | 161.8 | 0 | 0 | 0 | 119.3 | L897 | L895-L897 HydrophobicContact CB-CD1 4.21Å; L895-L897 HydrophobicContact CD1-CD1 3.96Å; L895-L897 HydrophobicContact CD2-CD1 4.26Å; L895-L897 HydrophobicContact CD2-CG 4.22Å; L895-L897 HydrophobicContact CG-CD1 4.38Å |
| 896 | P | 32.6 | Very low | 29.6 | Very low | 132 Ų | 132 | 134 Ų | 134 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | | | | -113.2 | 139.8 | 107.5 | 31.9 | -34.4 | 0 | 0 | 0 | 113.1 | | |
| 897 | L | 25.7 | Very low | 29.8 | Very low | 142 Ų | 142 | 130 Ų | 130 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | | | trans | -80.5 | 141.7 | 172.5 | -62.5 | 81.7 | 0 | 0 | 0 | 110.8 | L895 | L895-L897 HydrophobicContact CB-CD1 4.21Å; L895-L897 HydrophobicContact CD1-CD1 3.96Å; L895-L897 HydrophobicContact CD2-CD1 4.26Å; L895-L897 HydrophobicContact CD2-CG 4.22Å; L895-L897 HydrophobicContact CG-CD1 4.38Å |
| 898 | R | 30.8 | Very low | 29.6 | Very low | 250 Ų | 250 | 129.6 Ų | 129.6 | 94% | 0.943 | 76% | 0.76 | S | S | * | * | | | trans | -156.5 | 115 | 135.8 | -118.3 | 172 | -177.6 | -179.6 | 0.1 | 112.9 | | |
| 899 | S | 26.2 | Very low | 29.8 | Very low | 89 Ų | 89 | 130.7 Ų | 130.7 | 62% | 0.622 | 76% | 0.763 | S | S | * | * | | | trans | -74.3 | 159.5 | 166 | 57.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 900 | P | 32.8 | Very low | 29.9 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | | | | -117.4 | 136.2 | 84.6 | -3.5 | 24.3 | 0 | 0 | 0 | 111.8 | | |
| 901 | Q | 30.2 | Very low | 29.7 | Very low | 171 Ų | 171 | 133.1 Ų | 133.1 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | | | | 80.9 | 130 | 63 | -72 | -73.3 | -5.9 | 0 | 0 | 114.1 | | |
| 902 | L | 25 | Very low | 30.1 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | | | trans | -99.9 | 141.6 | -174.6 | -83.7 | 151.6 | 0 | 0 | 0 | 112.3 | | |
| 903 | S | 28.2 | Very low | 30.2 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | -150.8 | 117.5 | 148.3 | 47.8 | 0 | 0 | 0 | 0 | 106.7 | | |
| 904 | I | 25.5 | Very low | 30.3 | Very low | 141 Ų | 141 | 141 Ų | 141 | 72% | 0.723 | 79% | 0.794 | S | S | * | * | | | | 63.2 | 82.2 | 50.7 | -49 | 179.9 | 0 | 0 | 0 | 112.2 | | |
| 905 | I | 30.3 | Very low | 30.8 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | | | trans | -161.1 | 134.6 | 134.5 | -81.3 | 129.1 | 0 | 0 | 0 | 104.6 | | |
| 906 | G | 27.2 | Very low | 31.7 | Very low | 62 Ų | 62 | 135.8 Ų | 135.8 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | | | cis | 140.9 | 92.4 | -5.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 907 | S | 33.5 | Very low | 32.2 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | | | trans | -165.8 | 111.4 | 162.1 | -84.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 908 | S | 29 | Very low | 33.5 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | -1.9 | 150.3 | 142 | -41.9 | 0 | 0 | 0 | 0 | 118.8 | | |
| 909 | T | 33.7 | Very low | 34.1 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | | | cis | -155.3 | 156.7 | 46.4 | 42 | 0 | 0 | 0 | 0 | 116.1 | | |
| 910 | L | 32.5 | Very low | 35.2 | Very low | 156 Ų | 156 | 127.3 Ų | 127.3 | 82% | 0.817 | 74% | 0.744 | S | S | * | * | | | trans | 11.4 | 123.7 | 155.9 | -72.5 | 60.7 | 0 | 0 | 0 | 118.8 | | |
| 911 | A | 29.9 | Very low | 36.1 | Very low | 88 Ų | 88 | 128.2 Ų | 128.2 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | | | cis | 75.9 | 116.1 | 46.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 912 | T | 37.2 | Very low | 36.5 | Very low | 150 Ų | 150 | 127.2 Ų | 127.2 | 92% | 0.92 | 73% | 0.731 | S | S | * | * | | | trans | -164.3 | 147.8 | 140.6 | 6.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 913 | T | 33.8 | Very low | 37.5 | Very low | 137 Ų | 137 | 125 Ų | 125 | 84% | 0.84 | 72% | 0.72 | S | S | * | * | | | trans | -96.7 | 122.2 | -167.5 | 36.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 914 | R | 36.7 | Very low | 38.2 | Very low | 251 Ų | 251 | 130.3 Ų | 130.3 | 95% | 0.947 | 72% | 0.723 | S | S | * | * | | | trans | -165 | 67.1 | 170.4 | -108.8 | 168 | -162.8 | 178.3 | 5.4 | 112.5 | | |
| 915 | G | 40.3 | Very low | 39.1 | Very low | 47 Ų | 47 | 130.7 Ų | 130.7 | 49% | 0.485 | 73% | 0.725 | S | S | . | * | | | trans | -139.6 | -43.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | N917 T918 | G915-N917 PolarHBondContact O-N 2.89Å; G915-T918 WeakPolarHBondContact O-CB 3.41Å; G915-T918 PolarHBondContact O-N 3.13Å; G915-T918 PolarHBondContact O-OG1 2.99Å |
| 916 | V | 43.8 | Very low | 39.5 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 70% | 0.697 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -63.9 | -42.2 | -167.2 | -174.2 | 0 | 0 | 0 | 0 | 113.4 | T918 L919 | V916-T918 VanDerWaalsContact C-N 3.3Å; V916-T918 PolarHBondContact O-N 2.81Å; V916-L919 PolarHBondContact O-N 3.48Å |
| 917 | N | 43.8 | Very low | 39.9 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -66.7 | -29.3 | 178.1 | -79.5 | -8 | 0 | 0 | 0 | 113.3 | G915 L919 Q921 | G915-N917 PolarHBondContact O-N 2.89Å; N917-L919 VanDerWaalsContact C-N 3.3Å; N917-L919 PolarHBondContact O-N 3.32Å; N917-Q921 PolarHBondContact O-N 3.18Å |
| 918 | T | 52.3 | Low | 40.1 | Very low | 80 Ų | 80 | 137.1 Ų | 137.1 | 49% | 0.491 | 72% | 0.724 | S | S | . | * | H | α-helix | trans | -68.1 | -34.1 | 179.7 | -31.3 | 0 | 0 | 0 | 0 | 111.4 | G915 V916 Q921 F922 | G915-T918 WeakPolarHBondContact O-CB 3.41Å; G915-T918 PolarHBondContact O-N 3.13Å; G915-T918 PolarHBondContact O-OG1 2.99Å; V916-T918 VanDerWaalsContact C-N 3.3Å; V916-T918 PolarHBondContact O-N 2.81Å; T918-Q921 PolarHBondContact O-N 3.47Å; T918-F922 PolarHBondContact O-N 2.93Å |
| 919 | L | 44.3 | Very low | 40.3 | Very low | 113 Ų | 113 | 143.4 Ų | 143.4 | 59% | 0.592 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -71.6 | -42.2 | -178 | -153.4 | 157.2 | 0 | 0 | 0 | 111.2 | V916 N917 Q921 F922 L923 | V916-L919 PolarHBondContact O-N 3.48Å; N917-L919 VanDerWaalsContact C-N 3.3Å; N917-L919 PolarHBondContact O-N 3.32Å; L919-Q921 VanDerWaalsContact C-N 3.25Å; L919-Q921 PolarHBondContact O-N 2.85Å; L919-F922 PolarHBondContact O-N 3.42Å; L919-L923 HydrophobicContact CD2-CD1 3.96Å; L919-L923 HydrophobicContact CD2-CG 4.44Å; L919-L923 PolarHBondContact O-N 3.32Å |
| 920 | L | 48.6 | Very low | 40.2 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 57% | 0.571 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -64.3 | -27.2 | 171.4 | -77.3 | 166.2 | 0 | 0 | 0 | 113.4 | | |
| 921 | Q | 51.5 | Low | 40 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 66% | 0.664 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -78.6 | -32.5 | 175.8 | -153 | 166.6 | 22.6 | 0 | 0 | 112 | N917 T918 L919 | N917-Q921 PolarHBondContact O-N 3.18Å; T918-Q921 PolarHBondContact O-N 3.47Å; L919-Q921 VanDerWaalsContact C-N 3.25Å; L919-Q921 PolarHBondContact O-N 2.85Å |
| 922 | F | 39.6 | Very low | 40.2 | Very low | 150 Ų | 150 | 143.4 Ų | 143.4 | 66% | 0.658 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -65.8 | -44.4 | 174.3 | -125.2 | -94.8 | 0 | 0 | 0 | 112.4 | T918 L919 R924 L925 | T918-F922 PolarHBondContact O-N 2.93Å; L919-F922 PolarHBondContact O-N 3.42Å; F922-R924 PolarHBondContact O-N 3.2Å; F922-L925 PolarHBondContact O-N 3.35Å; F922-L925 VanDerWaalsContact O-N 3.15Å |
| 923 | L | 45 | Very low | 39.7 | Very low | 109 Ų | 109 | 143 Ų | 143 | 57% | 0.571 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -64.8 | -20.7 | -178.8 | -69.5 | 171.3 | 0 | 0 | 0 | 113.9 | L919 | L919-L923 HydrophobicContact CD2-CD1 3.96Å; L919-L923 HydrophobicContact CD2-CG 4.44Å; L919-L923 PolarHBondContact O-N 3.32Å |
| 924 | R | 43.3 | Very low | 39.6 | Very low | 222 Ų | 222 | 140 Ų | 140 | 84% | 0.838 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -14.1 | 175.6 | -80.3 | -175.4 | 170.2 | 167.5 | -1.3 | 114.9 | F922 | F922-R924 PolarHBondContact O-N 3.2Š|
| 925 | L | 44 | Very low | 39.2 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 78% | 0.775 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -91.7 | -9.4 | -176.2 | -81.3 | 164.7 | 0 | 0 | 0 | 114.5 | F922 H927 | F922-L925 PolarHBondContact O-N 3.35Å; F922-L925 VanDerWaalsContact O-N 3.15Å; L925-H927 VanDerWaalsContact C-N 3.32Å; L925-H927 PolarHBondContact O-N 2.78Å |
| 926 | I | 39.5 | Very low | 38.9 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 66% | 0.662 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -82.8 | -9.2 | -173.7 | -63.5 | 172.9 | 0 | 0 | 0 | 112.3 | | |
| 927 | H | 35 | Very low | 38.1 | Very low | 170 Ų | 170 | 143.6 Ų | 143.6 | 79% | 0.787 | 72% | 0.717 | S | S | * | * | | | trans | -113.3 | 32.3 | -159.8 | -130.6 | -72 | 0 | 0 | 0 | 116.9 | L925 | L925-H927 VanDerWaalsContact C-N 3.32Å; L925-H927 PolarHBondContact O-N 2.78Å |
| 928 | Q | 37.5 | Very low | 37.4 | Very low | 191 Ų | 191 | 145.5 Ų | 145.5 | 89% | 0.893 | 72% | 0.716 | S | S | * | * | | | trans | -132.1 | 103.6 | 173.2 | -68.3 | -168.2 | -10.8 | 0 | 0 | 114.1 | | |
| 929 | R | 33.3 | Very low | 36.3 | Very low | 243 Ų | 243 | 147.1 Ų | 147.1 | 92% | 0.917 | 73% | 0.727 | S | S | * | * | | | trans | -8.9 | 165.5 | 154.4 | -61.6 | 178.9 | 179 | 178.3 | -1.2 | 119.8 | | |
| 930 | P | 33.3 | Very low | 35.5 | Very low | 116 Ų | 116 | 147.8 Ų | 147.8 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | | | cis | -138.7 | -173.2 | -35.8 | 39.9 | -21.7 | 0 | 0 | 0 | 113.4 | | |
| 931 | D | 27.9 | Very low | 34.5 | Very low | 146 Ų | 146 | 147.3 Ų | 147.3 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | | | trans | -78.6 | 155.5 | -173.4 | -47.3 | -86.1 | 0 | 0 | 0 | 117.3 | | |
| 932 | S | 32.6 | Very low | 33.3 | Very low | 109 Ų | 109 | 149.4 Ų | 149.4 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | | | trans | -170.8 | 108 | 152 | -87.6 | 0 | 0 | 0 | 0 | 117.5 | | |
| 933 | Y | 28.5 | Very low | 32.8 | Very low | 141 Ų | 141 | 149 Ų | 149 | 55% | 0.553 | 78% | 0.775 | S | S | * | * | | | trans | 55.8 | 101.7 | 136.1 | -69 | -75 | 0 | 0 | 0 | 125.8 | R1081 N1082 | Y933-R1081 PolarHBondContact O-NH2 2.99Å; Y933-N1082 WeakPolarHBondContact CE1-OD1 3.45Å; Y933-N1082 PolarHBondContact OH-ND2 3.31Å; Y933-N1082 VanDerWaalsContact OH-ND2 3.16Å |
| 934 | A | 30.6 | Very low | 31.9 | Very low | 74 Ų | 74 | 148.5 Ų | 148.5 | 61% | 0.612 | 79% | 0.787 | S | S | * | * | | | | 75.1 | 129.5 | 115.3 | 0 | 0 | 0 | 0 | 0 | 123.1 | R1081 | A934-R1081 PolarHBondContact O-NH2 3Å; A934-R1081 VanDerWaalsContact O-NH2 3.14Å |
| 935 | L | 29.2 | Very low | 31.3 | Very low | 170 Ų | 170 | 144.7 Ų | 144.7 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | | | trans | -80.3 | 161.1 | 170.1 | -66 | 164.2 | 0 | 0 | 0 | 113.5 | | |
| 936 | P | 32.9 | Very low | 30.5 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | trans | -103.8 | 160.5 | 162 | 37.8 | -30.3 | 0 | 0 | 0 | 113.4 | | |
| 937 | Y | 27.9 | Very low | 30.2 | Very low | 192 Ų | 192 | 140.3 Ų | 140.3 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | trans | -117.2 | -170 | -179 | -152.9 | -105.6 | 0 | 0 | 0 | 111.4 | | |
| 938 | Y | 28.7 | Very low | 30.1 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 69% | 0.686 | 81% | 0.805 | S | S | * | * | | | trans | 73.5 | 161 | 170.1 | -73.8 | -63 | 0 | 0 | 0 | 119.2 | | |
| 939 | P | 30.1 | Very low | 29.8 | Very low | 113 Ų | 113 | 132 Ų | 132 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | | | cis | -127.7 | 164.1 | -16.6 | 30 | -11.2 | 0 | 0 | 0 | 115.3 | | |
| 940 | S | 26 | Very low | 29.6 | Very low | 127 Ų | 127 | 126.9 Ų | 126.9 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | trans | -66.8 | 137.7 | 167.1 | -50.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 941 | A | 28.2 | Very low | 29.4 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -143.2 | 144.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 942 | M | 25.4 | Very low | 29.5 | Very low | 187 Ų | 187 | 127.9 Ų | 127.9 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | | | trans | -79.9 | 148.5 | -172.9 | -57.5 | 170.5 | -172.7 | 0 | 0 | 112.3 | | |
| 943 | T | 29.6 | Very low | 29.2 | Very low | 141 Ų | 141 | 128.5 Ų | 128.5 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | | | trans | -139.3 | 116.2 | 148.9 | -64.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 944 | A | 25.9 | Very low | 29.1 | Very low | 99 Ų | 99 | 127.3 Ų | 127.3 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -87.9 | 136 | -177 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 945 | T | 31.7 | Very low | 28.8 | Very low | 142 Ų | 142 | 129.3 Ų | 129.3 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | | | trans | -119.4 | 122.5 | 159.5 | -52.7 | 0 | 0 | 0 | 0 | 107.3 | | |
| 946 | A | 27 | Very low | 28.7 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | | | trans | -82.7 | 141.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 947 | G | 33.4 | Very low | 28.4 | Very low | 79 Ų | 79 | 124.3 Ų | 124.3 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | | | trans | 166.3 | 152.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 948 | G | 32 | Very low | 28.3 | Very low | 85 Ų | 85 | 120.6 Ų | 120.6 | 88% | 0.876 | 79% | 0.789 | S | S | * | * | | | trans | 78.8 | 69.1 | 157.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 949 | S | 30.7 | Very low | 28.3 | Very low | 101 Ų | 101 | 116.8 Ų | 116.8 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | | | trans | -77.3 | 144.9 | 161.4 | 58.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 950 | N | 29.2 | Very low | 28.1 | Very low | 136 Ų | 136 | 114.4 Ų | 114.4 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | 79.9 | 132.9 | 150.3 | -62.5 | -13.9 | 0 | 0 | 0 | 121.1 | | |
| 951 | Q | 29.8 | Very low | 28.3 | Very low | 174 Ų | 174 | 113.1 Ų | 113.1 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | | | trans | 73 | 108.2 | 143.2 | -69.2 | 167.6 | 13.5 | 0 | 0 | 120.5 | | |
| 952 | S | 29.8 | Very low | 28.4 | Very low | 108 Ų | 108 | 111.9 Ų | 111.9 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | trans | -136.8 | 63.3 | 137.3 | 68 | 0 | 0 | 0 | 0 | 110.6 | V954 | S952-V954 PolarHBondContact O-N 2.8Š|
| 953 | V | 26.7 | Very low | 28.8 | Very low | 122 Ų | 122 | 108.8 Ų | 108.8 | 74% | 0.739 | 75% | 0.749 | S | S | * | * | | | trans | -67.5 | 110.9 | 157.6 | 169.2 | 0 | 0 | 0 | 0 | 106.1 | V955 | V953-V955 HydrophobicContact CG1-CG2 4.02Å; V953-V955 PolarHBondContact O-N 2.84Å |
| 954 | V | 26 | Very low | 28.9 | Very low | 116 Ų | 116 | 104.8 Ų | 104.8 | 70% | 0.703 | 74% | 0.736 | S | S | * | * | | | trans | -81.2 | 73.7 | -176.8 | -173.4 | 0 | 0 | 0 | 0 | 110.1 | S952 S956 | S952-V954 PolarHBondContact O-N 2.8Å; V954-S956 VanDerWaalsContact CG1-OG 3.3Å; V954-S956 WeakPolarHBondContact CG1-OG 3.23Å; V954-S956 PolarHBondContact O-N 2.95Å |
| 955 | V | 24 | Very low | 29.1 | Very low | 116 Ų | 116 | 105.7 Ų | 105.7 | 70% | 0.703 | 73% | 0.731 | S | S | * | * | | | trans | -87.2 | 88.8 | 158.1 | 171.3 | 0 | 0 | 0 | 0 | 107.3 | V953 A957 | V953-V955 HydrophobicContact CG1-CG2 4.02Å; V953-V955 PolarHBondContact O-N 2.84Å; V955-A957 VanDerWaalsContact C-N 3.27Å; V955-A957 HydrophobicContact CG1-CB 3.9Å; V955-A957 PolarHBondContact O-N 3.3Å |
| 956 | S | 28 | Very low | 28.9 | Very low | 107 Ų | 107 | 109.9 Ų | 109.9 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | | | trans | -80.6 | 72 | 175 | -65.9 | 0 | 0 | 0 | 0 | 110.8 | V954 | V954-S956 VanDerWaalsContact CG1-OG 3.3Å; V954-S956 WeakPolarHBondContact CG1-OG 3.23Å; V954-S956 PolarHBondContact O-N 2.95Å |
| 957 | A | 26.9 | Very low | 29.1 | Very low | 85 Ų | 85 | 111.2 Ų | 111.2 | 70% | 0.702 | 73% | 0.728 | S | S | * | * | | | trans | -101 | 89.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V955 | V955-A957 VanDerWaalsContact C-N 3.27Å; V955-A957 HydrophobicContact CG1-CB 3.9Å; V955-A957 PolarHBondContact O-N 3.3Å |
| 958 | S | 25.3 | Very low | 28.8 | Very low | 114 Ų | 114 | 111.6 Ų | 111.6 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | | | trans | -169.4 | 139.6 | 168.4 | 53.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 959 | A | 27.8 | Very low | 28.8 | Very low | 95 Ų | 95 | 112.9 Ų | 112.9 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | | | cis | -164.9 | 146.4 | -12 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 960 | G | 27 | Very low | 28.7 | Very low | 64 Ų | 64 | 112.6 Ų | 112.6 | 66% | 0.66 | 72% | 0.723 | S | S | * | * | | | trans | 85.7 | 159.6 | 150.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | M1 | M1-G960 CarbonylContact O-C 2.84Š|
| 961 | I | 29.7 | Very low | 28.8 | Very low | 100 Ų | 100 | 112.8 Ų | 112.8 | 51% | 0.513 | 73% | 0.728 | S | S | . | * | | | cis | -141.2 | 147.5 | 0.4 | -61.4 | 88.6 | 0 | 0 | 0 | 109.4 | M1 H2 | M1-I961 CarbonylContact C-O 3.59Å; M1-I961 VanDerWaalsContact CA-O 3.28Å; M1-I961 WeakPolarHBondContact CA-O 3.4Å; M1-I961 HydrophobicContact CB-CB 4.08Å; M1-I961 HydrophobicContact CB-CD1 4.06Å; M1-I961 HydrophobicContact CE-CD1 4.17Å; M1-I961 HydrophobicContact CG-CB 4.44Å; M1-I961 HydrophobicContact CG-CD1 4.19Å; M1-I961 PolarHBondContact N-O 3.21Å; M1-I961 PolarHBondContact O-N 3.37Å; M1-I961 VanDerWaalsContact O-O 3.06Å; M1-I961 HydrophobicContact SD-CB 3.75Å; M1-I961 HydrophobicContact SD-CD1 4.13Å; M1-I961 HydrophobicContact SD-CG1 4.26Å; M1-I961 HydrophobicContact SD-CG2 4.08Å; H2-I961 PolarHBondContact N-O 2.77Å; H2-I961 VanDerWaalsContact N-O 3.1Å |
| 962 | A | 29.9 | Very low | 28.8 | Very low | 72 Ų | 72 | 110.3 Ų | 110.3 | 60% | 0.595 | 73% | 0.726 | S | S | * | * | | | trans | -58.7 | 162.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | M1 | M1-A962 PolarHBondContact N-O 3.43Š|
| 963 | N | 34 | Very low | 29 | Very low | 123 Ų | 123 | 111 Ų | 111 | 66% | 0.658 | 73% | 0.727 | S | S | * | * | | | trans | 171.8 | 73.6 | 156.7 | -98.6 | 5.4 | 0 | 0 | 0 | 107.4 | H2 | H2-N963 HydrophobicContact CB-CB 3.79Å; H2-N963 PolarHBondContact CD2-N 3.48Å; H2-N963 VanDerWaalsContact CD2-N 3.33Å; H2-N963 PolarHBondContact CE1-O 3.28Å; H2-N963 VanDerWaalsContact CE1-O 3.23Å; H2-N963 PolarHBondContact ND1-O 3.29Å |
| 964 | G | 32.3 | Very low | 29.3 | Very low | 57 Ų | 57 | 110.3 Ų | 110.3 | 59% | 0.588 | 73% | 0.725 | S | S | * | * | | | | 91.8 | 154.2 | 86.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 965 | T | 30.7 | Very low | 29.2 | Very low | 117 Ų | 117 | 112.5 Ų | 112.5 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | | | cis | -159.3 | 141.5 | 8.5 | 49.2 | 0 | 0 | 0 | 0 | 113 | | |
| 966 | R | 27.9 | Very low | 29.5 | Very low | 231 Ų | 231 | 114.2 Ų | 114.2 | 87% | 0.872 | 74% | 0.737 | S | S | * | * | | | trans | 66.2 | 160.9 | 149.8 | -61.4 | 166.8 | -162.6 | -102.5 | 2.2 | 114.7 | | |
| 967 | V | 29.6 | Very low | 29.4 | Very low | 133 Ų | 133 | 114.4 Ų | 114.4 | 81% | 0.806 | 74% | 0.738 | S | S | * | * | | | cis | -136.4 | 143.7 | 27.2 | 173 | 0 | 0 | 0 | 0 | 112.2 | | |
| 968 | A | 28.4 | Very low | 29.4 | Very low | 88 Ų | 88 | 117.7 Ų | 117.7 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | | | trans | 24.6 | 145.9 | 155 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 969 | S | 30.7 | Very low | 29.8 | Very low | 111 Ų | 111 | 119.2 Ų | 119.2 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | | | cis | -148.1 | 150.3 | 21.3 | -72.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 970 | A | 28.5 | Very low | 29.9 | Very low | 96 Ų | 96 | 120.8 Ų | 120.8 | 79% | 0.793 | 74% | 0.735 | S | S | * | * | | | trans | 30.9 | 137.3 | 137 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 971 | V | 31 | Very low | 30.2 | Very low | 139 Ų | 139 | 124.6 Ų | 124.6 | 84% | 0.842 | 74% | 0.738 | S | S | * | * | | | cis | -146.9 | 165.6 | 18.6 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 972 | T | 30.4 | Very low | 30.3 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | | | trans | -128.7 | 169.2 | -179.8 | 44 | 0 | 0 | 0 | 0 | 112.3 | | |
| 973 | P | 33.9 | Very low | 30.8 | Very low | 122 Ų | 122 | 127 Ų | 127 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | | | cis | -126.4 | -120.8 | -25.4 | 30.3 | -5.7 | 0 | 0 | 0 | 112.4 | | |
| 974 | P | 33 | Very low | 30.5 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | | | trans | -112.8 | 178.2 | -139.4 | 39.7 | -21.6 | 0 | 0 | 0 | 116.7 | | |
| 975 | L | 24.9 | Very low | 30.3 | Very low | 161 Ų | 161 | 133.1 Ų | 133.1 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | | | trans | 118 | 160.9 | 161.1 | -63 | 173.7 | 0 | 0 | 0 | 116.4 | | |
| 976 | L | 29.6 | Very low | 30.2 | Very low | 153 Ų | 153 | 131.9 Ų | 131.9 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | | | trans | -58.7 | 148 | -162.7 | -66.5 | 62 | 0 | 0 | 0 | 115.5 | | |
| 977 | S | 25.7 | Very low | 30.3 | Very low | 111 Ų | 111 | 125.3 Ų | 125.3 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | | | trans | -159.9 | 125.7 | 130 | 41.2 | 0 | 0 | 0 | 0 | 115.4 | | |
| 978 | H | 28.1 | Very low | 30.2 | Very low | 153 Ų | 153 | 127.4 Ų | 127.4 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | | | trans | 28 | 127.7 | 141.7 | -61.9 | -71.4 | 0 | 0 | 0 | 124.6 | | |
| 979 | H | 33.8 | Very low | 30.2 | Very low | 147 Ų | 147 | 129.9 Ų | 129.9 | 68% | 0.681 | 76% | 0.755 | S | S | * | * | | | | 50.2 | 136.8 | 128 | -56.6 | -55.6 | 0 | 0 | 0 | 122.7 | | |
| 980 | P | 29.5 | Very low | 30.2 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | | | trans | -72.7 | 128.8 | 131.7 | 32.5 | -29 | 0 | 0 | 0 | 110 | | |
| 981 | I | 32.2 | Very low | 30.3 | Very low | 144 Ų | 144 | 130 Ų | 130 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | | | trans | -82.7 | -170.7 | 171.4 | -21.4 | -179.5 | 0 | 0 | 0 | 107.9 | | |
| 982 | V | 33.4 | Very low | 30.4 | Very low | 124 Ų | 124 | 129.5 Ų | 129.5 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | | | cis | -178.7 | 171.5 | 43 | -120.3 | 0 | 0 | 0 | 0 | 106.5 | | |
| 983 | P | 39 | Very low | 30.5 | Very low | 99 Ų | 99 | 126.5 Ų | 126.5 | 64% | 0.643 | 71% | 0.706 | S | S | * | * | | | cis | -129.2 | 174.4 | -40 | 28.8 | -6.2 | 0 | 0 | 0 | 111.2 | | |
| 984 | L | 28.2 | Very low | 30.5 | Very low | 140 Ų | 140 | 124.7 Ų | 124.7 | 73% | 0.733 | 69% | 0.687 | S | S | * | * | | | | -171.5 | 141.4 | 72.3 | -90.9 | 172.6 | 0 | 0 | 0 | 115.7 | | |
| 985 | Q | 28.5 | Very low | 30.5 | Very low | 169 Ų | 169 | 127.9 Ų | 127.9 | 79% | 0.79 | 69% | 0.685 | S | S | * | * | | | trans | 74.4 | 120.5 | 142 | -85.4 | 170.1 | -42.9 | 0 | 0 | 123.9 | | |
| 986 | A | 28.6 | Very low | 30.8 | Very low | 91 Ų | 91 | 125.4 Ų | 125.4 | 75% | 0.752 | 67% | 0.67 | S | S | * | * | | | trans | 76.9 | 132.9 | 137.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 987 | S | 29.2 | Very low | 30.9 | Very low | 93 Ų | 93 | 125.4 Ų | 125.4 | 65% | 0.65 | 67% | 0.665 | S | S | * | * | | | cis | -155 | 145.8 | 22 | -93.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 988 | F | 27.4 | Very low | 31 | Very low | 176 Ų | 176 | 125.8 Ų | 125.8 | 77% | 0.772 | 66% | 0.657 | S | S | * | * | | | trans | 32.8 | 138.3 | 141.6 | -55.7 | -68.8 | 0 | 0 | 0 | 120.6 | | |
| 989 | L | 29.1 | Very low | 31.1 | Very low | 141 Ų | 141 | 124.3 Ų | 124.3 | 74% | 0.738 | 66% | 0.659 | S | S | * | * | | | cis | -168.9 | 157.6 | 10.9 | -111.2 | 164 | 0 | 0 | 0 | 112.9 | | |
| 990 | S | 29.6 | Very low | 30.7 | Very low | 88 Ų | 88 | 122.9 Ų | 122.9 | 62% | 0.615 | 66% | 0.661 | S | S | * | * | | | trans | 67.9 | 155.6 | 145.2 | -67.4 | 0 | 0 | 0 | 0 | 121.5 | | |
| 991 | N | 32 | Very low | 30.6 | Very low | 121 Ų | 121 | 124.6 Ų | 124.6 | 65% | 0.647 | 66% | 0.658 | S | S | * | * | | | cis | -178 | 156.8 | -20.4 | -98.7 | -3.1 | 0 | 0 | 0 | 107.4 | | |
| 992 | Y | 32.1 | Very low | 30.4 | Very low | 128 Ų | 128 | 122.9 Ų | 122.9 | 50% | 0.502 | 65% | 0.65 | S | S | . | * | | | cis | -162.3 | -149 | -22.5 | -141.1 | -46 | 0 | 0 | 0 | 107.8 | I277 | I277-Y992 HydrophobicContact CB-CD2 4.1Å; I277-Y992 HydrophobicContact CB-CE2 3.86Å; I277-Y992 HydrophobicContact CG1-CD2 3.45Å; I277-Y992 VanDerWaalsContact CG1-CD2 3.45Å; I277-Y992 HydrophobicContact CG1-CE2 3.61Å; I277-Y992 HydrophobicContact CG1-CG 4.2Å; I277-Y992 HydrophobicContact CG2-CD2 4.31Å; I277-Y992 HydrophobicContact CG2-CE2 3.6Å |
| 993 | T | 33.7 | Very low | 30.2 | Very low | 61 Ų | 61 | 122.3 Ų | 122.3 | 37% | 0.374 | 64% | 0.643 | S | S | . | * | | | trans | -97.6 | -160.3 | -172.9 | 42.9 | 0 | 0 | 0 | 0 | 112.4 | I275 I276 | I275-T993 CarbonylContact C-O 3Å; I275-T993 VanDerWaalsContact CA-O 3.32Å; I275-T993 WeakPolarHBondContact CA-O 3.34Å; I275-T993 PolarHBondContact N-O 2.89Å; I276-T993 PolarHBondContact N-O 3.37Å |
| 994 | E | 33.3 | Very low | 29.7 | Very low | 84 Ų | 84 | 123.6 Ų | 123.6 | 39% | 0.393 | 65% | 0.645 | S | S | . | * | | | cis | -157.5 | -168.4 | 11.5 | -141.9 | 148.5 | -83 | 0 | 0 | 110.1 | I275 | I275-E994 PolarHBondContact O-N 3.33Š|
| 995 | R | 32.6 | Very low | 29.7 | Very low | 175 Ų | 175 | 122.7 Ų | 122.7 | 66% | 0.66 | 64% | 0.64 | S | S | * | * | | | cis | -148.4 | -110.1 | 4.8 | -165.2 | 149.9 | 178.4 | 100.1 | 21.7 | 116.8 | | |
| 996 | E | 31.9 | Very low | 29.6 | Very low | 109 Ų | 109 | 122.6 Ų | 122.6 | 51% | 0.509 | 64% | 0.637 | S | S | . | * | | | trans | -145.7 | 166.4 | -155.3 | -66.6 | 158.2 | 160.5 | 0 | 0 | 112 | | |
| 997 | H | 31.1 | Very low | 29.6 | Very low | 153 Ų | 153 | 124 Ų | 124 | 71% | 0.708 | 63% | 0.631 | S | S | * | * | | | | -169 | 139.7 | 75.9 | -103 | -110.1 | 0 | 0 | 0 | 109.3 | | |
| 998 | I | 27.9 | Very low | 29.7 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 61% | 0.605 | 63% | 0.63 | S | S | * | * | | | | 81.8 | 143.4 | 61.7 | -61.7 | 169.4 | 0 | 0 | 0 | 114.6 | | |
| 999 | T | 29.5 | Very low | 29.8 | Very low | 123 Ų | 123 | 122.2 Ų | 122.2 | 76% | 0.755 | 62% | 0.622 | S | S | * | * | | | trans | 85.7 | 159.9 | -179.7 | 73.3 | 0 | 0 | 0 | 0 | 118.2 | | |
| 1000 | T | 27 | Very low | 30 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 72% | 0.718 | 62% | 0.616 | S | S | * | * | | | | -172.2 | 162.4 | -77 | 29.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1001 | Q | 27 | Very low | 30 | Very low | 162 Ų | 162 | 124.8 Ų | 124.8 | 76% | 0.757 | 62% | 0.62 | S | S | * | * | | | trans | 78.7 | 143.3 | 155.5 | -90.1 | -172.2 | -95.3 | 0 | 0 | 121.2 | | |
| 1002 | D | 27.1 | Very low | 29.8 | Very low | 108 Ų | 108 | 124.2 Ų | 124.2 | 58% | 0.578 | 62% | 0.621 | S | S | * | * | | | trans | 92.4 | 128.1 | 133.3 | -83.7 | 30.4 | 0 | 0 | 0 | 123.9 | | |
| 1003 | N | 30.3 | Very low | 29.5 | Very low | 113 Ų | 113 | 123 Ų | 123 | 60% | 0.604 | 63% | 0.631 | S | S | * | * | | | trans | 76.1 | 100.4 | 134 | -65.3 | -24 | 0 | 0 | 0 | 120.3 | | |
| 1004 | N | 28 | Very low | 29.3 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 67% | 0.674 | 65% | 0.652 | S | S | * | * | | | | 106.1 | 130.7 | 100.5 | -85.9 | -21.3 | 0 | 0 | 0 | 121.2 | | |
| 1005 | L | 27.6 | Very low | 29 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 63% | 0.628 | 67% | 0.67 | S | S | * | * | | | trans | 78.2 | 117.7 | 133 | -66.7 | 173.4 | 0 | 0 | 0 | 121.4 | | |
| 1006 | F | 26.7 | Very low | 29.2 | Very low | 167 Ų | 167 | 126 Ų | 126 | 73% | 0.732 | 67% | 0.674 | S | S | * | * | | | | 106.2 | 134.1 | 114.1 | -88.7 | -27.6 | 0 | 0 | 0 | 121.7 | | |
| 1007 | I | 29.3 | Very low | 28.9 | Very low | 122 Ų | 122 | 125.8 Ų | 125.8 | 63% | 0.626 | 69% | 0.685 | S | S | * | * | | | trans | 86.8 | 89.9 | 132.6 | -73.1 | 168.8 | 0 | 0 | 0 | 118.4 | | |
| 1008 | N | 30.3 | Very low | 28.8 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | | | | 101.6 | 127.5 | 109.5 | -79.4 | 14.4 | 0 | 0 | 0 | 121.6 | | |
| 1009 | N | 30 | Very low | 28.7 | Very low | 111 Ų | 111 | 123.9 Ų | 123.9 | 59% | 0.594 | 69% | 0.694 | S | S | * | * | | | | 78.3 | 143.5 | 127.4 | -66.1 | 8.9 | 0 | 0 | 0 | 119.3 | | |
| 1010 | Q | 32.4 | Very low | 28.6 | Very low | 134 Ų | 134 | 125.5 Ų | 125.5 | 63% | 0.626 | 70% | 0.696 | S | S | * | * | | | cis | -161.4 | 151.2 | -3.8 | -122.8 | 163.1 | -32.8 | 0 | 0 | 112 | | |
| 1011 | Q | 30 | Very low | 28.8 | Very low | 150 Ų | 150 | 127.6 Ų | 127.6 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | | | trans | 54.4 | 145.4 | 136.8 | -80 | 164.7 | -29.7 | 0 | 0 | 122 | | |
| 1012 | T | 27.7 | Very low | 28.8 | Very low | 109 Ų | 109 | 125.4 Ų | 125.4 | 67% | 0.669 | 70% | 0.698 | S | S | * | * | | | cis | -174.1 | 146.4 | -21.1 | 13.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1013 | S | 25.9 | Very low | 29.1 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | | | trans | 50 | 157.6 | 140.3 | 74.5 | 0 | 0 | 0 | 0 | 121.5 | | |
| 1014 | I | 30.7 | Very low | 29.2 | Very low | 157 Ų | 157 | 128.4 Ų | 128.4 | 81% | 0.805 | 72% | 0.718 | S | S | * | * | | | cis | -139 | 165.1 | 24.5 | -70.4 | 174.8 | 0 | 0 | 0 | 110.7 | | |
| 1015 | S | 26.5 | Very low | 29.4 | Very low | 109 Ų | 109 | 127.6 Ų | 127.6 | 76% | 0.762 | 72% | 0.722 | S | S | * | * | | | trans | -70.1 | -167.5 | -173.8 | -22.4 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1016 | P | 36.5 | Very low | 29.9 | Very low | 117 Ų | 117 | 126.1 Ų | 126.1 | 76% | 0.76 | 73% | 0.726 | S | S | * | * | | | trans | -124.8 | -173.5 | -135.5 | 43.7 | -26.6 | 0 | 0 | 0 | 115.6 | | |
| 1017 | S | 26.5 | Very low | 30.4 | Very low | 104 Ų | 104 | 124 Ų | 124 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | | | trans | -174.8 | 143.4 | 146.8 | -87.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1018 | I | 27.4 | Very low | 30.7 | Very low | 168 Ų | 168 | 121.6 Ų | 121.6 | 86% | 0.862 | 73% | 0.726 | S | S | * | * | | | trans | 56.9 | 128.5 | 145.5 | -57.6 | 162.9 | 0 | 0 | 0 | 119.8 | | |
| 1019 | G | 26.7 | Very low | 31.2 | Very low | 63 Ų | 63 | 119.6 Ų | 119.6 | 65% | 0.649 | 73% | 0.726 | S | S | * | * | | | trans | 141.1 | 87.1 | 141.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 1020 | I | 27.9 | Very low | 31.8 | Very low | 157 Ų | 157 | 120.7 Ų | 120.7 | 81% | 0.805 | 73% | 0.731 | S | S | * | * | | | | 67.6 | 119.1 | 121.8 | -69.2 | 172.9 | 0 | 0 | 0 | 120.9 | | |
| 1021 | Q | 30.5 | Very low | 32.1 | Very low | 161 Ų | 161 | 117.4 Ų | 117.4 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | | | trans | 73.5 | 115 | 150.5 | -60.9 | -82.6 | 3.8 | 0 | 0 | 121.8 | | |
| 1022 | P | 27.2 | Very low | 32.8 | Very low | 117 Ų | 117 | 115.4 Ų | 115.4 | 76% | 0.76 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 117.1 | 156.6 | 34.6 | -25.6 | 0 | 0 | 0 | 112 | | |
| 1023 | I | 33.8 | Very low | 33.4 | Very low | 155 Ų | 155 | 113.5 Ų | 113.5 | 80% | 0.795 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 127.2 | -178.6 | -60.9 | 175.1 | 0 | 0 | 0 | 111.3 | | |
| 1024 | T | 32.5 | Very low | 34.4 | Very low | 129 Ų | 129 | 114.7 Ų | 114.7 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 129.6 | 179.3 | 45.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1025 | S | 31.5 | Very low | 34.8 | Very low | 109 Ų | 109 | 110.4 Ų | 110.4 | 76% | 0.762 | 70% | 0.704 | S | S | * | * | | | trans | -132.6 | 45.1 | -173 | 43 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1026 | A | 37.2 | Very low | 35.6 | Very low | 88 Ų | 88 | 108.4 Ų | 108.4 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | | | trans | -91.8 | -17.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1027 | T | 37.3 | Very low | 35.9 | Very low | 123 Ų | 123 | 106.6 Ų | 106.6 | 76% | 0.755 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -83.6 | -20.6 | -170.2 | 44.7 | 0 | 0 | 0 | 0 | 114.9 | A1029 | T1027-A1029 PolarHBondContact O-N 2.97Š|
| 1028 | A | 36.4 | Very low | 36.6 | Very low | 71 Ų | 71 | 106.7 Ų | 106.7 | 59% | 0.587 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -72.5 | -27.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1029 | A | 40.3 | Very low | 37.4 | Very low | 78 Ų | 78 | 102.5 Ų | 102.5 | 65% | 0.645 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -72.8 | -35.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T1027 | T1027-A1029 PolarHBondContact O-N 2.97Å |
| 1030 | L | 43.6 | Very low | 38 | Very low | 133 Ų | 133 | 107.1 Ų | 107.1 | 70% | 0.696 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -71 | -34.7 | -178.6 | -120.8 | 83.7 | 0 | 0 | 0 | 112.7 | V1032 A1033 M1034 | L1030-V1032 VanDerWaalsContact C-N 3.33Å; L1030-V1032 PolarHBondContact O-N 2.78Å; L1030-A1033 PolarHBondContact O-N 2.99Å; L1030-M1034 WeakPolarHBondContact O-CG 3.16Å; L1030-M1034 PolarHBondContact O-N 2.74Å |
| 1031 | A | 38.3 | Very low | 38.6 | Very low | 65 Ų | 65 | 108 Ų | 108 | 54% | 0.537 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -62.9 | -37.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1035 | A1031-A1035 WeakPolarHBondContact O-CB 3.33Å; A1031-A1035 PolarHBondContact O-N 2.87Å; A1031-A1035 VanDerWaalsContact O-N 3.16Å |
| 1032 | V | 43.7 | Very low | 39 | Very low | 108 Ų | 108 | 108.7 Ų | 108.7 | 66% | 0.655 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -72 | -35.7 | -179.6 | -177.9 | 0 | 0 | 0 | 0 | 111.7 | L1030 A1036 | L1030-V1032 VanDerWaalsContact C-N 3.33Å; L1030-V1032 PolarHBondContact O-N 2.78Å; V1032-A1036 PolarHBondContact O-N 3.32Å |
| 1033 | A | 41.5 | Very low | 39.5 | Very low | 69 Ų | 69 | 111.9 Ų | 111.9 | 57% | 0.57 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -67.1 | -42.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1030 A1036 | L1030-A1033 PolarHBondContact O-N 2.99Å; A1033-A1036 PolarHBondContact O-N 3.05Å |
| 1034 | M | 45.6 | Very low | 39.4 | Very low | 128 Ų | 128 | 112.3 Ų | 112.3 | 63% | 0.631 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -68.1 | -36.6 | 178.6 | -67 | -69.6 | -106.3 | 0 | 0 | 112.4 | L1030 A1036 A1037 | L1030-M1034 WeakPolarHBondContact O-CG 3.16Å; L1030-M1034 PolarHBondContact O-N 2.74Å; M1034-A1036 VanDerWaalsContact C-N 3.31Å; M1034-A1036 PolarHBondContact O-N 3.34Å; M1034-A1037 PolarHBondContact O-N 3.32Å |
| 1035 | A | 40.9 | Very low | 39.6 | Very low | 66 Ų | 66 | 115 Ų | 115 | 55% | 0.545 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -63.5 | -33.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A1031 | A1031-A1035 WeakPolarHBondContact O-CB 3.33Å; A1031-A1035 PolarHBondContact O-N 2.87Å; A1031-A1035 VanDerWaalsContact O-N 3.16Å |
| 1036 | A | 42.7 | Very low | 39.7 | Very low | 67 Ų | 67 | 120.6 Ų | 120.6 | 55% | 0.554 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -70.8 | -32.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1032 A1033 M1034 | V1032-A1036 PolarHBondContact O-N 3.32Å; A1033-A1036 PolarHBondContact O-N 3.05Å; M1034-A1036 VanDerWaalsContact C-N 3.31Å; M1034-A1036 PolarHBondContact O-N 3.34Å |
| 1037 | A | 42.1 | Very low | 39.7 | Very low | 79 Ų | 79 | 124.2 Ų | 124.2 | 65% | 0.653 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -73.7 | -28.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | M1034 | M1034-A1037 PolarHBondContact O-N 3.32Å |
| 1038 | V | 41.6 | Very low | 39.4 | Very low | 106 Ų | 106 | 123.3 Ų | 123.3 | 64% | 0.642 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -81.3 | -19.8 | -176.7 | 179.6 | 0 | 0 | 0 | 0 | 112.4 | L1040 | V1038-L1040 VanDerWaalsContact C-N 3.31Å; V1038-L1040 PolarHBondContact O-N 2.89Å |
| 1039 | A | 43.5 | Very low | 39.2 | Very low | 81 Ų | 81 | 124.4 Ų | 124.4 | 67% | 0.669 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -7.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1040 | L | 39.2 | Very low | 39 | Very low | 159 Ų | 159 | 125.3 Ų | 125.3 | 83% | 0.832 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | 2.6 | -173.7 | -84.1 | 166.5 | 0 | 0 | 0 | 115.6 | V1038 | V1038-L1040 VanDerWaalsContact C-N 3.31Å; V1038-L1040 PolarHBondContact O-N 2.89Å |
| 1041 | Q | 40.5 | Very low | 38.5 | Very low | 177 Ų | 177 | 126.6 Ų | 126.6 | 83% | 0.827 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -111.8 | 27 | -173.2 | -158.8 | 85.1 | -11.7 | 0 | 0 | 113.8 | | |
| 1042 | Q | 39.4 | Very low | 38.1 | Very low | 174 Ų | 174 | 127.2 Ų | 127.2 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | | | trans | -127.8 | 37.3 | -173.6 | -68.3 | -161 | -0.7 | 0 | 0 | 116.7 | | |
| 1043 | Q | 38.1 | Very low | 37.5 | Very low | 185 Ų | 185 | 129.6 Ų | 129.6 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | | | trans | -141 | 93.4 | 163.4 | -71.5 | -165.8 | 1.1 | 0 | 0 | 112.7 | | |
| 1044 | N | 32.2 | Very low | 36.8 | Very low | 164 Ų | 164 | 130.4 Ų | 130.4 | 88% | 0.877 | 73% | 0.731 | S | S | * | * | | | trans | -173.4 | 60.8 | 150.2 | -103.6 | -40.7 | 0 | 0 | 0 | 114.7 | | |
| 1045 | H | 35.7 | Very low | 36.2 | Very low | 186 Ų | 186 | 132.7 Ų | 132.7 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | | | trans | -149.5 | 105.4 | 160.7 | -88.8 | -63.4 | 0 | 0 | 0 | 111.7 | | |
| 1046 | R | 34.5 | Very low | 35.6 | Very low | 226 Ų | 226 | 136.4 Ų | 136.4 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | | | trans | 171.5 | 151.6 | 132.4 | -95 | 164.2 | -167.1 | -164.4 | 3.8 | 113.6 | | |
| 1047 | H | 36.7 | Very low | 35.1 | Very low | 164 Ų | 164 | 139.4 Ų | 139.4 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | | | trans | 64.2 | 83.6 | 163.2 | -55 | -52.1 | 0 | 0 | 0 | 121.1 | | |
| 1048 | S | 31.4 | Very low | 34.5 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | | | | 55.1 | 120.5 | 104.2 | -153.7 | 0 | 0 | 0 | 0 | 121.6 | | |
| 1049 | S | 31.8 | Very low | 34.1 | Very low | 95 Ų | 95 | 140.1 Ų | 140.1 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | | | trans | 56.4 | 111.1 | 134.7 | 65.2 | 0 | 0 | 0 | 0 | 120.9 | | |
| 1050 | S | 35.6 | Very low | 33.5 | Very low | 97 Ų | 97 | 147.4 Ų | 147.4 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | | | | 161.3 | 134 | 98.1 | -71.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1051 | N | 33 | Very low | 33.3 | Very low | 160 Ų | 160 | 146.9 Ų | 146.9 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | | | trans | 63.5 | 152.6 | 149 | -58.7 | -16.1 | 0 | 0 | 0 | 119.1 | | |
| 1052 | A | 31.1 | Very low | 32.9 | Very low | 77 Ų | 77 | 142.6 Ų | 142.6 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | | | cis | -164.4 | 150.7 | -20.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1053 | I | 30.8 | Very low | 32.8 | Very low | 159 Ų | 159 | 140 Ų | 140 | 82% | 0.815 | 78% | 0.775 | S | S | * | * | | | trans | 58 | 109.2 | 141.7 | -61.8 | 167.1 | 0 | 0 | 0 | 120.2 | | |
| 1054 | S | 27.1 | Very low | 32.6 | Very low | 85 Ų | 85 | 138 Ų | 138 | 59% | 0.594 | 78% | 0.776 | S | S | * | * | | | | 46.4 | 123.6 | 129.4 | -159.1 | 0 | 0 | 0 | 0 | 122.8 | | |
| 1055 | M | 31.8 | Very low | 32.5 | Very low | 177 Ų | 177 | 136.2 Ų | 136.2 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | | | | -176.5 | 117.9 | 110 | -93.9 | 177 | -172 | 0 | 0 | 108.2 | | |
| 1056 | L | 28.2 | Very low | 32.5 | Very low | 144 Ų | 144 | 133 Ų | 133 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | | | | 56 | 98.1 | 75 | -69.6 | 177.6 | 0 | 0 | 0 | 114.8 | | |
| 1057 | T | 32.1 | Very low | 32.4 | Very low | 130 Ų | 130 | 126.5 Ų | 126.5 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | | | | 165.7 | 152.7 | 109.1 | 39.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1058 | S | 30.9 | Very low | 32.2 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | 42.5 | 148.8 | 140 | -63.2 | 0 | 0 | 0 | 0 | 123.3 | | |
| 1059 | S | 31.5 | Very low | 32.1 | Very low | 85 Ų | 85 | 126.7 Ų | 126.7 | 59% | 0.594 | 76% | 0.759 | S | S | * | * | | | cis | -176.8 | 149.9 | -17 | -168.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1060 | R | 30.9 | Very low | 31.8 | Very low | 234 Ų | 234 | 127.6 Ų | 127.6 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | | | trans | 69.9 | 161.1 | 170.8 | -55.6 | 151.1 | -159.5 | -148.7 | 0.8 | 113 | | |
| 1061 | V | 35.6 | Very low | 31.8 | Very low | 147 Ų | 147 | 128.7 Ų | 128.7 | 89% | 0.891 | 77% | 0.765 | S | S | * | * | | | cis | -130.5 | 164.1 | 26.3 | 173.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1062 | A | 32.9 | Very low | 31.6 | Very low | 88 Ų | 88 | 127.4 Ų | 127.4 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | | | trans | -94.4 | 171.8 | -171 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1063 | P | 36.7 | Very low | 31.6 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | | | trans | -100.3 | 177.7 | -164.6 | 40.2 | -36.6 | 0 | 0 | 0 | 115.4 | | |
| 1064 | T | 34.8 | Very low | 31.5 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 87% | 0.871 | 76% | 0.761 | S | S | * | * | | | trans | -131.8 | 133 | 172.3 | 53.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1065 | T | 29 | Very low | 31.6 | Very low | 126 Ų | 126 | 131 Ų | 131 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | | | trans | -125.5 | 154.2 | -179 | 50.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1066 | P | 36.3 | Very low | 31.6 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | | | trans | -118.1 | 126.5 | 143.8 | 33.5 | -23.7 | 0 | 0 | 0 | 110.1 | | |
| 1067 | S | 31.9 | Very low | 31.6 | Very low | 90 Ų | 90 | 127.8 Ų | 127.8 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | | | cis | 74.8 | 99.3 | 45.2 | 86.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1068 | I | 32.1 | Very low | 31.4 | Very low | 157 Ų | 157 | 129.5 Ų | 129.5 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | | | | 149.1 | 160 | 89 | -88.5 | 153.2 | 0 | 0 | 0 | 106.3 | | |
| 1069 | P | 29.8 | Very low | 31.3 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | | | cis | -120.7 | 177.1 | -3.4 | 34 | -16.6 | 0 | 0 | 0 | 115.3 | | |
| 1070 | V | 26.6 | Very low | 31.2 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | | | trans | -136.5 | 137.8 | 162.8 | 174.4 | 0 | 0 | 0 | 0 | 109.5 | I1072 | V1070-I1072 HydrophobicContact CG1-CG1 4.2Å; V1070-I1072 WeakPolarHBondContact O-CG1 3.12Å |
| 1071 | P | 33.8 | Very low | 31.1 | Very low | 120 Ų | 120 | 130.7 Ų | 130.7 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | | | trans | -104.1 | 116.1 | 152.6 | 33.2 | -22.3 | 0 | 0 | 0 | 108.4 | | |
| 1072 | I | 30 | Very low | 31 | Very low | 133 Ų | 133 | 127.2 Ų | 127.2 | 68% | 0.682 | 71% | 0.708 | S | S | * | * | | | cis | 59 | 119 | 43.2 | -38.3 | 179.5 | 0 | 0 | 0 | 113.3 | V1070 | V1070-I1072 HydrophobicContact CG1-CG1 4.2Å; V1070-I1072 WeakPolarHBondContact O-CG1 3.12Å |
| 1073 | L | 29.8 | Very low | 30.9 | Very low | 156 Ų | 156 | 129.3 Ų | 129.3 | 82% | 0.817 | 71% | 0.711 | S | S | * | * | | | trans | 99.2 | 135.4 | 168.9 | -57.6 | 177.4 | 0 | 0 | 0 | 115.2 | | |
| 1074 | H | 28.6 | Very low | 30.8 | Very low | 158 Ų | 158 | 128.3 Ų | 128.3 | 73% | 0.731 | 70% | 0.703 | S | S | * | * | | | cis | 169.2 | 150.2 | -21.7 | -140.9 | -139.2 | 0 | 0 | 0 | 104.2 | | |
| 1075 | A | 30.3 | Very low | 31 | Very low | 84 Ų | 84 | 125.4 Ų | 125.4 | 69% | 0.694 | 69% | 0.685 | S | S | * | * | | | trans | 64.8 | 150.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 1076 | H | 30.6 | Very low | 31.3 | Very low | 125 Ų | 125 | 123.3 Ų | 123.3 | 58% | 0.579 | 67% | 0.672 | S | S | * | * | | | cis | -172.2 | 139.2 | -30.5 | -113.9 | -58 | 0 | 0 | 0 | 108.9 | | |
| 1077 | L | 29.7 | Very low | 31.5 | Very low | 128 Ų | 128 | 124.8 Ų | 124.8 | 67% | 0.67 | 67% | 0.668 | S | S | * | * | | | trans | 66.6 | 131.6 | 159 | -49.3 | 159 | 0 | 0 | 0 | 114.5 | | |
| 1078 | Y | 28 | Very low | 31.9 | Very low | 166 Ų | 166 | 127.1 Ų | 127.1 | 65% | 0.651 | 67% | 0.669 | S | S | * | * | | | | -165.1 | 127.8 | 67.7 | -115.3 | -106.9 | 0 | 0 | 0 | 111.4 | | |
| 1079 | Y | 27.6 | Very low | 32 | Very low | 179 Ų | 179 | 125.8 Ų | 125.8 | 70% | 0.702 | 66% | 0.663 | S | S | * | * | | | trans | 60.7 | 159.1 | 149.8 | -74.9 | -119.7 | 0 | 0 | 0 | 120.4 | | |
| 1080 | P | 29.1 | Very low | 32.5 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 76% | 0.76 | 66% | 0.657 | S | S | * | * | | | cis | -128.8 | 170.4 | -40 | 36.7 | -21.7 | 0 | 0 | 0 | 113.6 | | |
| 1081 | R | 30.5 | Very low | 33.2 | Very low | 162 Ų | 162 | 125.1 Ų | 125.1 | 61% | 0.611 | 65% | 0.645 | S | S | * | * | | | trans | -85.1 | 171.1 | 167.6 | -77.5 | 178.1 | 167.6 | -179.5 | -9 | 111.5 | Y933 A934 | Y933-R1081 PolarHBondContact O-NH2 2.99Å; A934-R1081 PolarHBondContact O-NH2 3Å; A934-R1081 VanDerWaalsContact O-NH2 3.14Å |
| 1082 | N | 32.4 | Very low | 33.4 | Very low | 75 Ų | 75 | 121.6 Ų | 121.6 | 40% | 0.401 | 63% | 0.626 | S | S | . | * | | | trans | 70.7 | 103 | 165.9 | -75 | 0.5 | 0 | 0 | 0 | 118.3 | Y933 T1084 | Y933-N1082 WeakPolarHBondContact CE1-OD1 3.45Å; Y933-N1082 PolarHBondContact OH-ND2 3.31Å; Y933-N1082 VanDerWaalsContact OH-ND2 3.16Å; N1082-T1084 PolarHBondContact O-N 3.46Å |
| 1083 | V | 31.6 | Very low | 33.7 | Very low | 131 Ų | 131 | 123 Ų | 123 | 79% | 0.794 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 64.1 | 153.2 | -171.7 | 0 | 0 | 0 | 0 | 109.3 | V1086 | V1083-V1086 HydrophobicContact CG1-CB 4.21Å; V1083-V1086 HydrophobicContact CG1-CG2 3.96Å |
| 1084 | T | 34.9 | Very low | 34.1 | Very low | 100 Ų | 100 | 121.3 Ų | 121.3 | 61% | 0.613 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.2 | 2 | 167.5 | 52.8 | 0 | 0 | 0 | 0 | 113 | N1082 | N1082-T1084 PolarHBondContact O-N 3.46Š|
| 1085 | T | 38.4 | Very low | 34.4 | Very low | 80 Ų | 80 | 120.6 Ų | 120.6 | 49% | 0.491 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -121.8 | -0.8 | 176.7 | 47.6 | 0 | 0 | 0 | 0 | 114.2 | Q1087 Q1088 L1089 | T1085-Q1087 PolarHBondContact O-N 3.32Å; T1085-Q1088 CarbonylContact O-C 3.59Å; T1085-Q1088 WeakPolarHBondContact O-CA 3.44Å; T1085-Q1088 PolarHBondContact O-N 3.01Å; T1085-L1089 PolarHBondContact O-N 3.32Å |
| 1086 | V | 35.5 | Very low | 34.5 | Very low | 82 Ų | 82 | 121.7 Ų | 121.7 | 50% | 0.497 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65 | -30.3 | 170.4 | 179.4 | 0 | 0 | 0 | 0 | 111 | V1083 Q1088 L1089 H1090 | V1083-V1086 HydrophobicContact CG1-CB 4.21Å; V1083-V1086 HydrophobicContact CG1-CG2 3.96Å; V1086-Q1088 PolarHBondContact O-N 3.31Å; V1086-Q1088 VanDerWaalsContact O-N 3.12Å; V1086-L1089 PolarHBondContact O-N 3.04Å; V1086-H1090 PolarHBondContact O-N 2.7Å |
| 1087 | Q | 40.3 | Very low | 34.4 | Very low | 151 Ų | 151 | 126.2 Ų | 126.2 | 71% | 0.706 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.2 | -10.7 | 168.6 | -167.4 | 59.5 | 16.3 | 0 | 0 | 113.5 | T1085 N1091 | T1085-Q1087 PolarHBondContact O-N 3.32Å; Q1087-N1091 PolarHBondContact O-ND2 2.85Å |
| 1088 | Q | 40.5 | Very low | 34.5 | Very low | 139 Ų | 139 | 126.2 Ų | 126.2 | 65% | 0.65 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -110 | -25.7 | 173.1 | -71 | -179.3 | -24.9 | 0 | 0 | 112.9 | T1085 V1086 N1091 A1092 | T1085-Q1088 CarbonylContact O-C 3.59Å; T1085-Q1088 WeakPolarHBondContact O-CA 3.44Å; T1085-Q1088 PolarHBondContact O-N 3.01Å; V1086-Q1088 PolarHBondContact O-N 3.31Å; V1086-Q1088 VanDerWaalsContact O-N 3.12Å; Q1088-N1091 PolarHBondContact O-N 2.82Å; Q1088-A1092 PolarHBondContact O-N 2.85Å; Q1088-A1092 VanDerWaalsContact O-N 3.14Å |
| 1089 | L | 34.8 | Very low | 34.6 | Very low | 129 Ų | 129 | 123.9 Ų | 123.9 | 68% | 0.675 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -84.8 | -28.5 | 175.9 | -144.4 | 75.9 | 0 | 0 | 0 | 114.1 | T1085 V1086 N1091 A1092 H1093 | T1085-L1089 PolarHBondContact O-N 3.32Å; V1086-L1089 PolarHBondContact O-N 3.04Å; L1089-N1091 PolarHBondContact O-N 2.95Å; L1089-A1092 HydrophobicContact CD1-CB 3.95Å; L1089-A1092 HydrophobicContact CG-CB 4.34Å; L1089-A1092 PolarHBondContact O-N 3.32Å; L1089-H1093 PolarHBondContact O-N 3.43Å |
| 1090 | H | 40.4 | Very low | 34.8 | Very low | 130 Ų | 130 | 123 Ų | 123 | 60% | 0.602 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -25.5 | 166.9 | -145.9 | 88.7 | 0 | 0 | 0 | 111.4 | V1086 | V1086-H1090 PolarHBondContact O-N 2.7Š|
| 1091 | N | 40.5 | Very low | 34.9 | Very low | 82 Ų | 82 | 127.6 Ų | 127.6 | 44% | 0.439 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.1 | -13.6 | 170 | -78.4 | -57.9 | 0 | 0 | 0 | 113.9 | Q1087 Q1088 L1089 Q1095 | Q1087-N1091 PolarHBondContact O-ND2 2.85Å; Q1088-N1091 PolarHBondContact O-N 2.82Å; L1089-N1091 PolarHBondContact O-N 2.95Å; N1091-Q1095 VanDerWaalsContact O-CG 3.3Å; N1091-Q1095 WeakPolarHBondContact O-CG 3.3Å |
| 1092 | A | 38 | Very low | 34.9 | Very low | 47 Ų | 47 | 122.7 Ų | 122.7 | 39% | 0.388 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.8 | -27.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q1088 L1089 | Q1088-A1092 PolarHBondContact O-N 2.85Å; Q1088-A1092 VanDerWaalsContact O-N 3.14Å; L1089-A1092 HydrophobicContact CD1-CB 3.95Å; L1089-A1092 HydrophobicContact CG-CB 4.34Å; L1089-A1092 PolarHBondContact O-N 3.32Å |
| 1093 | H | 35.3 | Very low | 34.9 | Very low | 162 Ų | 162 | 124.9 Ų | 124.9 | 75% | 0.75 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -99.5 | 0.6 | 177.2 | -139.4 | -83.7 | 0 | 0 | 0 | 114.6 | L1089 | L1089-H1093 PolarHBondContact O-N 3.43Š|
| 1094 | Q | 38.4 | Very low | 35 | Very low | 120 Ų | 120 | 124 Ų | 124 | 56% | 0.561 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -89.4 | -15.5 | 158.2 | -72 | -171.8 | -15.7 | 0 | 0 | 112.3 | C1096 Y1097 | Q1094-C1096 PolarHBondContact O-N 2.86Å; Q1094-C1096 VanDerWaalsContact O-N 3.12Å; Q1094-Y1097 PolarHBondContact O-N 2.78Å |
| 1095 | Q | 36.3 | Very low | 34.9 | Very low | 143 Ų | 143 | 123.9 Ų | 123.9 | 67% | 0.668 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 36.1 | 174 | -71.6 | -177.9 | 1.7 | 0 | 0 | 113.7 | N1091 | N1091-Q1095 VanDerWaalsContact O-CG 3.3Å; N1091-Q1095 WeakPolarHBondContact O-CG 3.3Å |
| 1096 | C | 30.8 | Very low | 34.7 | Very low | 108 Ų | 108 | 124 Ų | 124 | 73% | 0.73 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.3 | 7.8 | 162.1 | -94.8 | 0 | 0 | 0 | 0 | 113.3 | Q1094 | Q1094-C1096 PolarHBondContact O-N 2.86Å; Q1094-C1096 VanDerWaalsContact O-N 3.12Å |
| 1097 | Y | 28.8 | Very low | 34.4 | Very low | 220 Ų | 220 | 124.2 Ų | 124.2 | 86% | 0.863 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -124.8 | 52.8 | 170.3 | -107.4 | -81.4 | 0 | 0 | 0 | 111 | Q1094 | Q1094-Y1097 PolarHBondContact O-N 2.78Š|
| 1098 | H | 31.6 | Very low | 34 | Very low | 127 Ų | 127 | 120.3 Ų | 120.3 | 59% | 0.588 | 70% | 0.697 | S | S | * | * | | | trans | -144.2 | 153.7 | 161.4 | -108.3 | -91.3 | 0 | 0 | 0 | 109.3 | | |
| 1099 | N | 30.8 | Very low | 33.5 | Very low | 118 Ų | 118 | 117.7 Ų | 117.7 | 63% | 0.631 | 71% | 0.706 | S | S | * | * | | | trans | 78.7 | 142.1 | -176.4 | -52.3 | -28.5 | 0 | 0 | 0 | 115.4 | | |
| 1100 | H | 32.5 | Very low | 33.3 | Very low | 159 Ų | 159 | 117 Ų | 117 | 74% | 0.736 | 71% | 0.707 | S | S | * | * | | | trans | 61.5 | 105.3 | -173.5 | -60.2 | -74.2 | 0 | 0 | 0 | 115.1 | | |
| 1101 | Y | 29.9 | Very low | 32.9 | Very low | 214 Ų | 214 | 118 Ų | 118 | 84% | 0.839 | 71% | 0.712 | S | S | * | * | | | cis | -132.8 | 157.4 | -2 | -88.3 | -102.4 | 0 | 0 | 0 | 108.5 | | |
| 1102 | G | 31.9 | Very low | 32.3 | Very low | 59 Ų | 59 | 122.2 Ų | 122.2 | 61% | 0.608 | 72% | 0.723 | S | S | * | * | | | cis | 109.1 | 114.2 | 19.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1103 | S | 31.2 | Very low | 32.1 | Very low | 121 Ų | 121 | 126.8 Ų | 126.8 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | | | trans | -69.1 | 178.4 | -171.8 | -52.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1104 | S | 34.4 | Very low | 32 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | | | trans | 76.4 | 128.4 | -167.8 | 74.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1105 | A | 32.2 | Very low | 31.7 | Very low | 99 Ų | 99 | 123 Ų | 123 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | | | cis | 75.2 | 117.5 | 36.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1106 | G | 33.5 | Very low | 31.8 | Very low | 81 Ų | 81 | 124.6 Ų | 124.6 | 84% | 0.835 | 74% | 0.739 | S | S | * | * | | | trans | 104.2 | 114.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1107 | G | 30.9 | Very low | 31.9 | Very low | 88 Ų | 88 | 123.8 Ų | 123.8 | 91% | 0.907 | 74% | 0.735 | S | S | * | * | | | trans | -71.1 | -171.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1108 | G | 30.4 | Very low | 32.2 | Very low | 69 Ų | 69 | 121.4 Ų | 121.4 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | | | trans | 167 | -42.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1109 | G | 31.4 | Very low | 32.4 | Very low | 83 Ų | 83 | 126.2 Ų | 126.2 | 86% | 0.856 | 75% | 0.745 | S | S | * | * | | | trans | 56.7 | -145.6 | 170 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 1110 | V | 30.9 | Very low | 32.7 | Very low | 115 Ų | 115 | 125.4 Ų | 125.4 | 70% | 0.697 | 75% | 0.746 | S | S | * | * | | | trans | 81.6 | 94.5 | 163.2 | 179.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 1111 | Q | 30.7 | Very low | 32.7 | Very low | 151 Ų | 151 | 122.3 Ų | 122.3 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | | 71.3 | 142.9 | 128.3 | -64.5 | -177.4 | 7.1 | 0 | 0 | 120.7 | | |
| 1112 | Y | 28.4 | Very low | 32.9 | Very low | 170 Ų | 170 | 117.5 Ų | 117.5 | 67% | 0.667 | 75% | 0.746 | S | S | * | * | | | cis | -176.5 | 167.6 | 4.5 | -118.5 | -37.6 | 0 | 0 | 0 | 111.8 | | |
| 1113 | H | 33.7 | Very low | 32.8 | Very low | 143 Ų | 143 | 120.7 Ų | 120.7 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | | | trans | 63 | 130.3 | 152.7 | -62.5 | -42.8 | 0 | 0 | 0 | 121.4 | | |
| 1114 | N | 33.1 | Very low | 33.1 | Very low | 116 Ų | 116 | 119.4 Ų | 119.4 | 62% | 0.62 | 74% | 0.742 | S | S | * | * | | | cis | 103.6 | 124.3 | 19.1 | 178.1 | 47.6 | 0 | 0 | 0 | 113.8 | | |
| 1115 | S | 32.1 | Very low | 32.8 | Very low | 86 Ų | 86 | 120.6 Ų | 120.6 | 60% | 0.601 | 74% | 0.74 | S | S | * | * | | | | 165.5 | 131.5 | 128.4 | -75.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1116 | H | 37.9 | Very low | 32.6 | Very low | 177 Ų | 177 | 121.2 Ų | 121.2 | 82% | 0.819 | 73% | 0.734 | S | S | * | * | | | trans | 69.9 | 151.7 | 135.2 | -73.2 | -8.3 | 0 | 0 | 0 | 122.4 | | |
| 1117 | S | 33.8 | Very low | 32.2 | Very low | 92 Ų | 92 | 121.7 Ų | 121.7 | 64% | 0.643 | 72% | 0.724 | S | S | * | * | | | cis | -169.7 | 177.3 | -16 | -173.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1118 | Q | 35.3 | Very low | 32 | Very low | 169 Ų | 169 | 122.9 Ų | 122.9 | 79% | 0.79 | 71% | 0.714 | S | S | * | * | | | trans | 80.2 | 123.5 | 165.4 | -47.9 | -162.5 | 39.2 | 0 | 0 | 115.8 | | |
| 1119 | R | 35.3 | Very low | 31.9 | Very low | 228 Ų | 228 | 124.6 Ų | 124.6 | 86% | 0.86 | 72% | 0.715 | S | S | * | * | | | cis | 93.3 | 154.3 | 42.9 | -90 | -162.7 | 164.7 | -153.2 | -0.6 | 112.5 | | |
| 1120 | P | 36.4 | Very low | 31.7 | Very low | 102 Ų | 102 | 125.2 Ų | 125.2 | 66% | 0.662 | 71% | 0.706 | S | S | * | * | | | cis | -141.9 | -167.9 | -31.2 | 40.3 | -22.3 | 0 | 0 | 0 | 113.6 | | |
| 1121 | A | 33.4 | Very low | 31.4 | Very low | 93 Ų | 93 | 124.3 Ų | 124.3 | 77% | 0.769 | 70% | 0.704 | S | S | * | * | | | trans | 72.4 | 150.2 | 148.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 1122 | S | 33.6 | Very low | 31.3 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 80% | 0.797 | 71% | 0.71 | S | S | * | * | | | cis | -156.8 | 155.4 | -15.9 | 42.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1123 | T | 30.3 | Very low | 31.3 | Very low | 125 Ų | 125 | 121 Ų | 121 | 77% | 0.767 | 71% | 0.709 | S | S | * | * | | | trans | -77.4 | -167.7 | 164.5 | 60.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1124 | P | 37.7 | Very low | 31 | Very low | 95 Ų | 95 | 118 Ų | 118 | 62% | 0.617 | 70% | 0.7 | S | S | * | * | | | cis | -127.9 | -147.8 | -15.6 | 25.9 | -0.3 | 0 | 0 | 0 | 110.5 | | |
| 1125 | N | 27.4 | Very low | 31 | Very low | 136 Ų | 136 | 115.9 Ų | 115.9 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | | | trans | 76.4 | 149 | 151.5 | -64.3 | -9.5 | 0 | 0 | 0 | 117.4 | | |
| 1126 | T | 27.8 | Very low | 31.1 | Very low | 113 Ų | 113 | 114.8 Ų | 114.8 | 69% | 0.693 | 68% | 0.68 | S | S | * | * | | | cis | -155.6 | 145.9 | -7 | 6.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1127 | S | 26.6 | Very low | 30.6 | Very low | 91 Ų | 91 | 109.9 Ų | 109.9 | 64% | 0.636 | 66% | 0.663 | S | S | * | * | | | trans | 60.3 | 166.1 | 135.2 | 77.7 | 0 | 0 | 0 | 0 | 122.8 | | |
| 1128 | T | 26.8 | Very low | 30.2 | Very low | 112 Ų | 112 | 111.6 Ų | 111.6 | 69% | 0.687 | 66% | 0.664 | S | S | * | * | | | trans | 61.9 | 109.8 | 146.9 | 44.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1129 | S | 27.2 | Very low | 29.8 | Very low | 106 Ų | 106 | 107.3 Ų | 107.3 | 74% | 0.741 | 65% | 0.653 | S | S | * | * | | | | 80.4 | 139.7 | 121 | 75.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 1130 | S | 26.8 | Very low | 29.4 | Very low | 96 Ų | 96 | 103 Ų | 103 | 67% | 0.671 | 65% | 0.646 | S | S | * | * | | | cis | -171.6 | -170 | -10.6 | 43.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1131 | C | 26.4 | Very low | 28.9 | Very low | 96 Ų | 96 | 106.8 Ų | 106.8 | 65% | 0.649 | 65% | 0.653 | S | S | * | * | | | trans | 76 | 116.8 | 148.4 | -68.8 | 0 | 0 | 0 | 0 | 117.7 | | |
| 1132 | L | 28.3 | Very low | 28.4 | Very low | 159 Ų | 159 | 106.5 Ų | 106.5 | 83% | 0.832 | 65% | 0.645 | S | S | * | * | | | | 68.6 | 133.3 | 120 | -63.6 | 174 | 0 | 0 | 0 | 117.5 | | |
| 1133 | S | 27 | Very low | 28.1 | Very low | 91 Ų | 91 | 104.8 Ų | 104.8 | 64% | 0.636 | 64% | 0.638 | S | S | * | * | | | cis | -158.2 | 147.7 | 0.8 | 74.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1134 | V | 28.8 | Very low | 27.9 | Very low | 80 Ų | 80 | 104.3 Ų | 104.3 | 49% | 0.485 | 64% | 0.639 | S | S | . | * | | | | 68.2 | 134.3 | 103.9 | 173.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1135 | N | 31.7 | Very low | 27.5 | Very low | 72 Ų | 72 | 103.9 Ų | 103.9 | 39% | 0.385 | 64% | 0.639 | S | S | . | * | | | trans | -111.7 | 117.8 | -171.4 | -59.8 | -14.8 | 0 | 0 | 0 | 111 | S100 R101 N102 | S100-N1135 VanDerWaalsContact C-CB 3.49Å; S100-N1135 CarbonylContact O-C 3.56Å; S100-N1135 VanDerWaalsContact O-O 3.12Å; R101-N1135 VanDerWaalsContact CZ-O 3.27Å; R101-N1135 PolarHBondContact NE-O 3.36Å; R101-N1135 PolarHBondContact NH2-O 3.46Å; R101-N1135 VanDerWaalsContact O-CB 3.25Å; R101-N1135 WeakPolarHBondContact O-CB 3.42Å; R101-N1135 PolarHBondContact O-ND2 3.49Å; N102-N1135 PolarHBondContact OD1-N 3.05Å |
| 1136 | P | 35.4 | Very low | 27.5 | Very low | 63 Ų | 63 | 105.2 Ų | 105.2 | 41% | 0.409 | 64% | 0.644 | S | S | . | * | | | trans | -129.6 | 110.8 | 178.9 | 37.2 | -22.6 | 0 | 0 | 0 | 116.5 | S99 S100 | S99-P1136 VanDerWaalsContact CB-C 3.49Å; S99-P1136 WeakPolarHBondContact CB-O 3.48Å; S100-P1136 CarbonylContact O-C 3.59Å; S100-P1136 WeakPolarHBondContact O-CA 3.26Å; S100-P1136 VanDerWaalsContact O-N 3.12Å |
| 1137 | V | 27.7 | Very low | 27.6 | Very low | 75 Ų | 75 | 102.4 Ų | 102.4 | 46% | 0.455 | 64% | 0.638 | S | S | . | * | | | trans | 66.3 | 130.6 | 154.5 | -65.7 | 0 | 0 | 0 | 0 | 119.1 | S99 S100 | S99-V1137 CarbonylContact C-O 3.55Å; S99-V1137 WeakPolarHBondContact CA-O 3.4Å; S99-V1137 WeakPolarHBondContact CB-O 3.42Å; S99-V1137 PolarHBondContact N-O 2.89Å; S99-V1137 CarbonylContact O-C 3.5Å; S99-V1137 PolarHBondContact O-N 2.99Å; S100-V1137 PolarHBondContact O-N 3.32Å; S100-V1137 VanDerWaalsContact O-N 3.08Å |
| 1138 | N | 25.5 | Very low | 27.7 | Very low | 128 Ų | 128 | 104.8 Ų | 104.8 | 68% | 0.684 | 65% | 0.648 | S | S | * | * | | | cis | 75 | 141.9 | 50 | -172.8 | 36.5 | 0 | 0 | 0 | 113.5 | S99 | S99-N1138 PolarHBondContact O-N 2.7Š|
| 1139 | S | 25.9 | Very low | 27.8 | Very low | 78 Ų | 78 | 104.5 Ų | 104.5 | 55% | 0.545 | 65% | 0.651 | S | S | . | * | | | trans | 72.2 | 156.8 | 151.4 | 67.7 | 0 | 0 | 0 | 0 | 120.9 | | |
| 1140 | L | 26.5 | Very low | 28 | Very low | 137 Ų | 137 | 103.1 Ų | 103.1 | 72% | 0.717 | 65% | 0.653 | S | S | * | * | | | trans | 83.3 | 109.9 | 158.8 | -50.4 | -171 | 0 | 0 | 0 | 118.9 | | |
| 1141 | F | 25.3 | Very low | 28.1 | Very low | 183 Ų | 183 | 102.3 Ų | 102.3 | 80% | 0.803 | 66% | 0.66 | S | S | * | * | | | | 78.7 | 141.6 | 123.2 | -83.3 | -137.9 | 0 | 0 | 0 | 117.7 | | |
| 1142 | S | 24.8 | Very low | 28.2 | Very low | 87 Ų | 87 | 102 Ų | 102 | 61% | 0.608 | 67% | 0.673 | S | S | * | * | | | cis | -165.8 | -179.6 | -15.4 | -126 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1143 | A | 26.4 | Very low | 28.2 | Very low | 78 Ų | 78 | 98.4 Ų | 98.4 | 65% | 0.645 | 67% | 0.674 | S | S | * | * | | | trans | 53.2 | 111.5 | 142 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1144 | S | 26.8 | Very low | 28.3 | Very low | 114 Ų | 114 | 98 Ų | 98 | 80% | 0.797 | 68% | 0.684 | S | S | * | * | | | | 83.7 | 144.1 | 120.3 | -63.9 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1145 | S | 27.9 | Very low | 28.2 | Very low | 86 Ų | 86 | 97.5 Ų | 97.5 | 60% | 0.601 | 70% | 0.695 | S | S | * | * | | | cis | -177.6 | 158.7 | -9 | 46.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1146 | I | 28.3 | Very low | 28.1 | Very low | 165 Ų | 165 | 100.5 Ų | 100.5 | 85% | 0.846 | 72% | 0.717 | S | S | * | * | | | trans | 69.4 | 132.5 | 163 | -56.8 | 144.4 | 0 | 0 | 0 | 113.9 | | |
| 1147 | G | 29.8 | Very low | 27.9 | Very low | 54 Ų | 54 | 103.8 Ų | 103.8 | 56% | 0.557 | 74% | 0.735 | S | S | * | * | | | cis | -139.2 | 156.8 | -5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 1148 | V | 29 | Very low | 27.9 | Very low | 140 Ų | 140 | 105.6 Ų | 105.6 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | | | | 38.3 | 126.8 | 72.8 | -97.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1149 | S | 29.1 | Very low | 28.3 | Very low | 107 Ų | 107 | 105 Ų | 105 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | | | cis | -137.6 | 169.6 | 9.9 | -58.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1150 | G | 30.1 | Very low | 28.4 | Very low | 77 Ų | 77 | 105.3 Ų | 105.3 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | | | cis | 72.1 | 122.9 | 43.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1151 | G | 29.4 | Very low | 28.7 | Very low | 78 Ų | 78 | 104.3 Ų | 104.3 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | cis | 144.5 | 155.9 | -1.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1152 | G | 28.9 | Very low | 28.9 | Very low | 90 Ų | 90 | 103.1 Ų | 103.1 | 93% | 0.928 | 77% | 0.766 | S | S | * | * | | | trans | 69.7 | -175.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1153 | G | 28.7 | Very low | 29.4 | Very low | 83 Ų | 83 | 104.1 Ų | 104.1 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | | | trans | 113.9 | 45.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1154 | G | 27.9 | Very low | 29.7 | Very low | 82 Ų | 82 | 107.1 Ų | 107.1 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | | | trans | -71.2 | 169.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1155 | G | 27.6 | Very low | 29.9 | Very low | 70 Ų | 70 | 108.6 Ų | 108.6 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | | | trans | 91.6 | 127.2 | 148 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 1156 | T | 29.1 | Very low | 30 | Very low | 136 Ų | 136 | 113.3 Ų | 113.3 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | | | | -170.2 | 155.1 | 111.7 | 18.2 | 0 | 0 | 0 | 0 | 113 | | |
| 1157 | T | 31.3 | Very low | 30.5 | Very low | 131 Ų | 131 | 110.2 Ų | 110.2 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | 52.4 | 95.3 | 154.8 | 52.3 | 0 | 0 | 0 | 0 | 121.1 | | |
| 1158 | S | 27.5 | Very low | 30.4 | Very low | 113 Ų | 113 | 116.6 Ų | 116.6 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | -53.4 | 165.6 | 133.1 | -131.8 | 0 | 0 | 0 | 0 | 111 | | |
| 1159 | P | 34 | Very low | 30.4 | Very low | 116 Ų | 116 | 116.7 Ų | 116.7 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | | | cis | -149.2 | 164.2 | 41.8 | 41.6 | -20.6 | 0 | 0 | 0 | 120.7 | | |
| 1160 | A | 28.8 | Very low | 30.5 | Very low | 85 Ų | 85 | 120.1 Ų | 120.1 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | | | trans | 54.3 | 124.2 | 143.4 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1161 | C | 31.4 | Very low | 30.5 | Very low | 115 Ų | 115 | 121 Ų | 121 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | | | | 177.9 | 122 | 100.5 | -96.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1162 | L | 29.7 | Very low | 30.8 | Very low | 158 Ų | 158 | 123.7 Ų | 123.7 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | | | trans | 32.2 | 121.1 | 141.7 | -52.8 | 172 | 0 | 0 | 0 | 121.5 | | |
| 1163 | S | 35.5 | Very low | 31.1 | Very low | 108 Ų | 108 | 124.5 Ų | 124.5 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | | 152.1 | 122.4 | 114.6 | -65.9 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1164 | N | 33.2 | Very low | 31.6 | Very low | 141 Ų | 141 | 126.1 Ų | 126.1 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | | | trans | 53.2 | 106 | 134.3 | -55.4 | -12.5 | 0 | 0 | 0 | 124.1 | | |
| 1165 | L | 31.2 | Very low | 32.2 | Very low | 145 Ų | 145 | 127.5 Ų | 127.5 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | | | | 58.8 | 155.5 | 114.8 | -66 | 167.2 | 0 | 0 | 0 | 124.1 | | |
| 1166 | F | 30.5 | Very low | 32.8 | Very low | 186 Ų | 186 | 130.3 Ų | 130.3 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | | | trans | 79.8 | 154 | 162.8 | -80 | -64.9 | 0 | 0 | 0 | 118.3 | | |
| 1167 | P | 37.4 | Very low | 33 | Very low | 100 Ų | 100 | 131 Ų | 131 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | | | | -136.5 | 178.6 | -110.4 | 47.7 | -33 | 0 | 0 | 0 | 117.7 | | |
| 1168 | F | 28.3 | Very low | 33.2 | Very low | 187 Ų | 187 | 128.8 Ų | 128.8 | 82% | 0.82 | 78% | 0.777 | S | S | * | * | | | trans | 46.3 | 124.1 | 143.6 | -89.4 | -117.5 | 0 | 0 | 0 | 122.3 | | |
| 1169 | L | 28.4 | Very low | 33.4 | Very low | 143 Ų | 143 | 131.2 Ų | 131.2 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | | | trans | 55.9 | 99.8 | 143.3 | -61.2 | 179.8 | 0 | 0 | 0 | 120 | | |
| 1170 | L | 30.9 | Very low | 33.4 | Very low | 178 Ų | 178 | 136.7 Ų | 136.7 | 93% | 0.932 | 79% | 0.786 | S | S | * | * | | | trans | -134.7 | 161.6 | 144.3 | -76.3 | 178.3 | 0 | 0 | 0 | 110.5 | | |
| 1171 | A | 31.7 | Very low | 33.6 | Very low | 96 Ų | 96 | 138.5 Ų | 138.5 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | | | trans | 68.8 | 61.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1172 | V | 34.4 | Very low | 33.6 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 126.6 | 144.9 | 179 | 0 | 0 | 0 | 0 | 107.8 | | |
| 1173 | P | 36.7 | Very low | 33.7 | Very low | 106 Ų | 106 | 139 Ų | 139 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 151.1 | -176.4 | 30.9 | -35.3 | 0 | 0 | 0 | 112.6 | | |
| 1174 | P | 39 | Very low | 33.5 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 140.8 | 177.5 | 29.6 | -34.8 | 0 | 0 | 0 | 111.8 | | |
| 1175 | P | 39.2 | Very low | 33.4 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 140.5 | 173.4 | 28.7 | -34.1 | 0 | 0 | 0 | 111.1 | T1177 | P1175-T1177 PolarHBondContact O-N 3.05Š|
| 1176 | P | 40.3 | Very low | 33.3 | Very low | 129 Ų | 129 | 140.2 Ų | 140.2 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70 | 116.2 | -171.7 | 27 | -34.6 | 0 | 0 | 0 | 112.5 | A1178 | P1176-A1178 PolarHBondContact O-N 3.37Š|
| 1177 | T | 33.7 | Very low | 33.3 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 92% | 0.92 | 80% | 0.796 | S | S | * | * | | | trans | -80.3 | 97.5 | -176.6 | -27.9 | 0 | 0 | 0 | 0 | 111.8 | P1175 | P1175-T1177 PolarHBondContact O-N 3.05Š|
| 1178 | A | 35.2 | Very low | 32.9 | Very low | 85 Ų | 85 | 138.4 Ų | 138.4 | 70% | 0.702 | 80% | 0.803 | S | S | * | * | | | trans | -150.1 | 143.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P1176 | P1176-A1178 PolarHBondContact O-N 3.37Š|
| 1179 | L | 31.9 | Very low | 32.9 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | | | trans | 71.9 | 76.1 | 162.9 | -51.9 | -174.4 | 0 | 0 | 0 | 119.6 | | |
| 1180 | R | 34.4 | Very low | 32.9 | Very low | 231 Ų | 231 | 135 Ų | 135 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | | | | 71.6 | 124.5 | 118.3 | -166.7 | -179.3 | -173.9 | -169.2 | 1 | 118.7 | | |
| 1181 | P | 32.4 | Very low | 32.9 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | | | trans | -74.9 | 149.7 | -179.8 | 32.3 | -36.3 | 0 | 0 | 0 | 113.4 | | |
| 1182 | L | 31.3 | Very low | 32.8 | Very low | 164 Ų | 164 | 133.3 Ų | 133.3 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | | | trans | -119 | 139.6 | 161.6 | -89.7 | 137.5 | 0 | 0 | 0 | 108.2 | | |
| 1183 | P | 32.1 | Very low | 32.5 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | -79.8 | 148.2 | -178 | 32.9 | -34.7 | 0 | 0 | 0 | 111.8 | | |
| 1184 | L | 31.5 | Very low | 32.1 | Very low | 167 Ų | 167 | 135.8 Ų | 135.8 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | | | trans | -118.8 | 146.2 | 165.4 | -69.8 | 176 | 0 | 0 | 0 | 109.6 | | |
| 1185 | P | 32 | Very low | 31.6 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | | | trans | -87.2 | 150.8 | -162.7 | 34 | -36.4 | 0 | 0 | 0 | 114 | | |
| 1186 | V | 28 | Very low | 31.1 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | | | trans | -75.5 | 128.3 | 160.4 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1187 | S | 31 | Very low | 30.9 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | | | trans | -134.1 | 118.6 | 177.5 | -179.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1188 | N | 29 | Very low | 31 | Very low | 147 Ų | 147 | 131.4 Ų | 131.4 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | | | trans | -83.7 | 127.9 | -176.2 | -59.6 | -31.4 | 0 | 0 | 0 | 110.9 | | |
| 1189 | N | 28.7 | Very low | 31.1 | Very low | 134 Ų | 134 | 131.4 Ų | 131.4 | 72% | 0.717 | 73% | 0.733 | S | S | * | * | | | trans | -147.6 | 105.3 | 159.6 | -164 | 3.3 | 0 | 0 | 0 | 110.4 | S1191 | N1189-S1191 PolarHBondContact O-N 2.57Š|
| 1190 | P | 27.7 | Very low | 31.4 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 80% | 0.799 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 75.3 | -167.4 | 34.5 | -35.9 | 0 | 0 | 0 | 112.4 | | |
| 1191 | S | 30.9 | Very low | 31.7 | Very low | 86 Ų | 86 | 119.9 Ų | 119.9 | 60% | 0.601 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.7 | -4 | 178.5 | 57.3 | 0 | 0 | 0 | 0 | 117.3 | N1189 | N1189-S1191 PolarHBondContact O-N 2.57Š|
| 1192 | I | 29.8 | Very low | 32.2 | Very low | 154 Ų | 154 | 118.4 Ų | 118.4 | 79% | 0.79 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -139.7 | 48.5 | -179.2 | -36.9 | 179.2 | 0 | 0 | 0 | 112.6 | | |
| 1193 | T | 28.8 | Very low | 33.1 | Very low | 125 Ų | 125 | 114 Ų | 114 | 77% | 0.767 | 66% | 0.656 | S | S | * | * | | | trans | -143.9 | 87.2 | 174.3 | 53.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1194 | N | 27.6 | Very low | 33.7 | Very low | 167 Ų | 167 | 113.6 Ų | 113.6 | 89% | 0.893 | 65% | 0.647 | S | S | * | * | | | trans | -140.6 | 54.1 | 165.3 | -101.2 | -17 | 0 | 0 | 0 | 110.5 | | |
| 1195 | F | 27.8 | Very low | 34.4 | Very low | 196 Ų | 196 | 109.8 Ų | 109.8 | 86% | 0.86 | 62% | 0.623 | S | S | * | * | | | trans | -116 | 122.7 | 160.3 | -88.1 | -77.8 | 0 | 0 | 0 | 108.4 | V1197 | F1195-V1197 PolarHBondContact O-N 3.17Š|
| 1196 | P | 29.8 | Very low | 35.2 | Very low | 65 Ų | 65 | 106.6 Ų | 106.6 | 42% | 0.422 | 61% | 0.607 | S | S | . | * | | | trans | -74.9 | 95 | 179.4 | 30.2 | -34.1 | 0 | 0 | 0 | 110.5 | S1198 D1199 | P1196-S1198 WeakPolarHBondContact CB-OG 3.34Å; P1196-S1198 PolarHBondContact O-N 2.82Å; P1196-S1198 VanDerWaalsContact O-N 3.09Å; P1196-D1199 HydrophobicContact CB-CB 4.43Å; P1196-D1199 HydrophobicContact CG-CB 4.21Å; P1196-D1199 WeakPolarHBondContact CG-OD2 3.22Å; P1196-D1199 PolarHBondContact O-N 3.39Å |
| 1197 | V | 36 | Very low | 36.1 | Very low | 115 Ų | 115 | 107 Ų | 107 | 70% | 0.697 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.4 | -10.4 | 173.1 | -165 | 0 | 0 | 0 | 0 | 111.7 | F1195 | F1195-V1197 PolarHBondContact O-N 3.17Å |
| 1198 | S | 35 | Very low | 36.8 | Very low | 40 Ų | 40 | 108 Ų | 108 | 28% | 0.28 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -59.1 | -48.2 | 163.7 | 44.2 | 0 | 0 | 0 | 0 | 112.5 | P1196 L1200 S1201 E1202 | P1196-S1198 WeakPolarHBondContact CB-OG 3.34Å; P1196-S1198 PolarHBondContact O-N 2.82Å; P1196-S1198 VanDerWaalsContact O-N 3.09Å; S1198-L1200 PolarHBondContact O-N 2.86Å; S1198-S1201 PolarHBondContact O-N 3.43Å; S1198-S1201 PolarHBondContact O-OG 2.99Å; S1198-E1202 PolarHBondContact O-N 3.27Å |
| 1199 | D | 37.8 | Very low | 37.7 | Very low | 85 Ų | 85 | 103.9 Ų | 103.9 | 46% | 0.455 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -71.5 | -36.8 | -165.8 | -61.4 | 11.2 | 0 | 0 | 0 | 110.5 | P1196 S1201 E1202 T1203 | P1196-D1199 HydrophobicContact CB-CB 4.43Å; P1196-D1199 HydrophobicContact CG-CB 4.21Å; P1196-D1199 WeakPolarHBondContact CG-OD2 3.22Å; P1196-D1199 PolarHBondContact O-N 3.39Å; D1199-S1201 VanDerWaalsContact C-N 3.32Å; D1199-S1201 PolarHBondContact O-N 3.35Å; D1199-E1202 PolarHBondContact O-N 3.37Å; D1199-T1203 VanDerWaalsContact O-CB 3.29Å; D1199-T1203 WeakPolarHBondContact O-CB 3.31Å; D1199-T1203 VanDerWaalsContact O-CG2 3.29Å; D1199-T1203 WeakPolarHBondContact O-CG2 3.27Å; D1199-T1203 PolarHBondContact O-N 2.88Å; D1199-T1203 PolarHBondContact O-OG1 3.26Å |
| 1200 | L | 38.5 | Very low | 38.7 | Very low | 94 Ų | 94 | 100.3 Ų | 100.3 | 49% | 0.492 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -59 | -41.1 | 170.2 | -88.5 | 154 | 0 | 0 | 0 | 112 | S1198 T1203 L1204 | S1198-L1200 PolarHBondContact O-N 2.86Å; L1200-T1203 PolarHBondContact O-OG1 3.31Å; L1200-L1204 VanDerWaalsContact O-CB 3.23Å; L1200-L1204 WeakPolarHBondContact O-CB 3.33Å; L1200-L1204 WeakPolarHBondContact O-CD1 3.26Å; L1200-L1204 WeakPolarHBondContact O-CG 3.25Å; L1200-L1204 PolarHBondContact O-N 2.93Å; L1200-L1204 VanDerWaalsContact O-N 3.09Å |
| 1201 | S | 40.6 | Very low | 39.6 | Very low | 59 Ų | 59 | 97.4 Ų | 97.4 | 41% | 0.413 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.4 | -36.5 | 178.3 | 70.8 | 0 | 0 | 0 | 0 | 112.9 | S1198 D1199 F1205 | S1198-S1201 PolarHBondContact O-N 3.43Å; S1198-S1201 PolarHBondContact O-OG 2.99Å; D1199-S1201 VanDerWaalsContact C-N 3.32Å; D1199-S1201 PolarHBondContact O-N 3.35Å; S1201-F1205 VanDerWaalsContact O-CB 3.29Å; S1201-F1205 WeakPolarHBondContact O-CB 3.46Å; S1201-F1205 PolarHBondContact O-N 2.88Å; S1201-F1205 VanDerWaalsContact O-N 3.13Å |
| 1202 | E | 42.5 | Very low | 40.3 | Very low | 93 Ų | 93 | 95.9 Ų | 95.9 | 44% | 0.435 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -84.6 | -34.3 | -175.9 | -71.8 | 165.2 | -136.1 | 0 | 0 | 112.1 | R572 S1198 D1199 F1205 A1206 | R572-E1202 IonicContact CZ-OE1 3.67Å; R572-E1202 VanDerWaalsContact CZ-OE1 3.3Å; R572-E1202 IonicContact NH1-OE1 3.29Å; R572-E1202 PolarHBondContact NH1-OE1 3.39Å; R572-E1202 IonicContact NH2-OE1 3.42Å; R572-E1202 PolarHBondContact NH2-OE1 2.83Å; S1198-E1202 PolarHBondContact O-N 3.27Å; D1199-E1202 PolarHBondContact O-N 3.37Å; E1202-F1205 PolarHBondContact O-N 3.43Å; E1202-A1206 WeakPolarHBondContact O-CB 3.48Å; E1202-A1206 PolarHBondContact O-N 2.95Å |
| 1203 | T | 49.5 | Very low | 40.9 | Very low | 71 Ų | 71 | 91.4 Ų | 91.4 | 44% | 0.436 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.4 | -39.8 | 171.1 | 53.9 | 0 | 0 | 0 | 0 | 112.6 | D1199 L1200 A1206 H1207 | D1199-T1203 VanDerWaalsContact O-CB 3.29Å; D1199-T1203 WeakPolarHBondContact O-CB 3.31Å; D1199-T1203 VanDerWaalsContact O-CG2 3.29Å; D1199-T1203 WeakPolarHBondContact O-CG2 3.27Å; D1199-T1203 PolarHBondContact O-N 2.88Å; D1199-T1203 PolarHBondContact O-OG1 3.26Å; L1200-T1203 PolarHBondContact O-OG1 3.31Å; T1203-A1206 PolarHBondContact O-N 3.35Å; T1203-H1207 WeakPolarHBondContact O-CB 3.31Å; T1203-H1207 PolarHBondContact O-CD2 3.45Å; T1203-H1207 PolarHBondContact O-N 2.93Å |
| 1204 | L | 46 | Very low | 41.7 | Very low | 111 Ų | 111 | 88.3 Ų | 88.3 | 58% | 0.581 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.7 | -41.4 | 171.9 | -73.9 | 171.2 | 0 | 0 | 0 | 111.4 | L1200 H1207 Y1208 | L1200-L1204 VanDerWaalsContact O-CB 3.23Å; L1200-L1204 WeakPolarHBondContact O-CB 3.33Å; L1200-L1204 WeakPolarHBondContact O-CD1 3.26Å; L1200-L1204 WeakPolarHBondContact O-CG 3.25Å; L1200-L1204 PolarHBondContact O-N 2.93Å; L1200-L1204 VanDerWaalsContact O-N 3.09Å; L1204-H1207 PolarHBondContact O-N 2.74Å; L1204-Y1208 WeakPolarHBondContact O-CB 2.89Å; L1204-Y1208 PolarHBondContact O-N 3.2Å |
| 1205 | F | 45.9 | Very low | 42.5 | Very low | 86 Ų | 86 | 83.6 Ų | 83.6 | 38% | 0.377 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 173.9 | -174.5 | -81.5 | 0 | 0 | 0 | 111.8 | A561 S1201 E1202 Y1208 T1209 | A561-F1205 HydrophobicContact CB-CE2 3.8Å; A561-F1205 HydrophobicContact CB-CZ 4.24Å; S1201-F1205 VanDerWaalsContact O-CB 3.29Å; S1201-F1205 WeakPolarHBondContact O-CB 3.46Å; S1201-F1205 PolarHBondContact O-N 2.88Å; S1201-F1205 VanDerWaalsContact O-N 3.13Å; E1202-F1205 PolarHBondContact O-N 3.43Å; F1205-Y1208 PolarHBondContact O-N 2.89Å; F1205-T1209 HydrophobicContact CD1-CG2 4.18Å; F1205-T1209 HydrophobicContact CE1-CG2 3.92Å; F1205-T1209 HydrophobicContact CZ-CG2 4.31Å; F1205-T1209 WeakPolarHBondContact O-CB 3.33Å; F1205-T1209 WeakPolarHBondContact O-CG2 3.45Å; F1205-T1209 PolarHBondContact O-N 2.96Å; F1205-T1209 PolarHBondContact O-OG1 3.2Å |
| 1206 | A | 48.3 | Very low | 43.1 | Very low | 49 Ų | 49 | 76.5 Ų | 76.5 | 41% | 0.405 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1202 T1203 T1209 A1210 | E1202-A1206 WeakPolarHBondContact O-CB 3.48Å; E1202-A1206 PolarHBondContact O-N 2.95Å; T1203-A1206 PolarHBondContact O-N 3.35Å; A1206-T1209 PolarHBondContact O-N 2.87Å; A1206-T1209 PolarHBondContact O-OG1 3.36Å; A1206-A1210 WeakPolarHBondContact O-CB 3.09Å; A1206-A1210 PolarHBondContact O-N 3.48Å |
| 1207 | H | 47.6 | Very low | 43.7 | Very low | 144 Ų | 144 | 75.8 Ų | 75.8 | 67% | 0.667 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.7 | -41.7 | 176.1 | -86 | -65.1 | 0 | 0 | 0 | 112.8 | T1203 L1204 A1211 | T1203-H1207 WeakPolarHBondContact O-CB 3.31Å; T1203-H1207 PolarHBondContact O-CD2 3.45Å; T1203-H1207 PolarHBondContact O-N 2.93Å; L1204-H1207 PolarHBondContact O-N 2.74Å; H1207-A1211 VanDerWaalsContact O-CB 3.23Å; H1207-A1211 WeakPolarHBondContact O-CB 3.46Å; H1207-A1211 PolarHBondContact O-N 2.88Å |
| 1208 | Y | 45.6 | Very low | 44 | Very low | 123 Ų | 123 | 73.4 Ų | 73.4 | 48% | 0.482 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.6 | -42.2 | 178.3 | -125.5 | -86.2 | 0 | 0 | 0 | 112.3 | L1204 F1205 A1212 A1254 | L1204-Y1208 WeakPolarHBondContact O-CB 2.89Å; L1204-Y1208 PolarHBondContact O-N 3.2Å; F1205-Y1208 PolarHBondContact O-N 2.89Å; Y1208-A1212 WeakPolarHBondContact O-CB 3.42Å; Y1208-A1212 PolarHBondContact O-N 3.43Å; Y1208-A1254 HydrophobicContact CE1-CB 4.29Å; Y1208-A1254 WeakPolarHBondContact OH-CA 3.39Å |
| 1209 | T | 47.4 | Very low | 44.2 | Very low | 62 Ų | 62 | 74.7 Ų | 74.7 | 38% | 0.38 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -72.2 | -38.7 | 178.8 | 49.7 | 0 | 0 | 0 | 0 | 112.4 | F1205 A1206 A1212 A1213 | F1205-T1209 HydrophobicContact CD1-CG2 4.18Å; F1205-T1209 HydrophobicContact CE1-CG2 3.92Å; F1205-T1209 HydrophobicContact CZ-CG2 4.31Å; F1205-T1209 WeakPolarHBondContact O-CB 3.33Å; F1205-T1209 WeakPolarHBondContact O-CG2 3.45Å; F1205-T1209 PolarHBondContact O-N 2.96Å; F1205-T1209 PolarHBondContact O-OG1 3.2Å; A1206-T1209 PolarHBondContact O-N 2.87Å; A1206-T1209 PolarHBondContact O-OG1 3.36Å; T1209-A1212 PolarHBondContact O-N 2.9Å; T1209-A1213 VanDerWaalsContact O-CB 3.3Å; T1209-A1213 WeakPolarHBondContact O-CB 3.48Å; T1209-A1213 PolarHBondContact O-N 3.07Å |
| 1210 | A | 49.1 | Very low | 44.4 | Very low | 58 Ų | 58 | 74.9 Ų | 74.9 | 48% | 0.479 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1206 A1213 A1214 | A1206-A1210 WeakPolarHBondContact O-CB 3.09Å; A1206-A1210 PolarHBondContact O-N 3.48Å; A1210-A1213 PolarHBondContact O-N 2.82Å; A1210-A1214 WeakPolarHBondContact O-CB 3.49Å; A1210-A1214 PolarHBondContact O-N 2.85Å |
| 1211 | A | 47.3 | Very low | 44.3 | Very low | 62 Ų | 62 | 76.5 Ų | 76.5 | 51% | 0.512 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | H1207 A1215 | H1207-A1211 VanDerWaalsContact O-CB 3.23Å; H1207-A1211 WeakPolarHBondContact O-CB 3.46Å; H1207-A1211 PolarHBondContact O-N 2.88Å; A1211-A1215 WeakPolarHBondContact O-CB 3.42Å; A1211-A1215 PolarHBondContact O-N 2.81Å |
| 1212 | A | 44.8 | Very low | 44.1 | Very low | 54 Ų | 54 | 82 Ų | 82 | 45% | 0.446 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1208 T1209 A1215 A1216 | Y1208-A1212 WeakPolarHBondContact O-CB 3.42Å; Y1208-A1212 PolarHBondContact O-N 3.43Å; T1209-A1212 PolarHBondContact O-N 2.9Å; A1212-A1215 PolarHBondContact O-N 3.31Å; A1212-A1216 WeakPolarHBondContact O-CB 3.45Å; A1212-A1216 PolarHBondContact O-N 3.1Å |
| 1213 | A | 43.3 | Very low | 43.6 | Very low | 60 Ų | 60 | 82.2 Ų | 82.2 | 50% | 0.496 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.5 | -42.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1209 A1210 A1216 A1217 | T1209-A1213 VanDerWaalsContact O-CB 3.3Å; T1209-A1213 WeakPolarHBondContact O-CB 3.48Å; T1209-A1213 PolarHBondContact O-N 3.07Å; A1210-A1213 PolarHBondContact O-N 2.82Å; A1213-A1216 PolarHBondContact O-N 3.14Å; A1213-A1217 WeakPolarHBondContact O-CB 3.33Å; A1213-A1217 PolarHBondContact O-N 3.48Å |
| 1214 | A | 46.3 | Very low | 42.8 | Very low | 61 Ų | 61 | 83.8 Ų | 83.8 | 50% | 0.504 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1210 A1216 A1217 A1218 | A1210-A1214 WeakPolarHBondContact O-CB 3.49Å; A1210-A1214 PolarHBondContact O-N 2.85Å; A1214-A1216 VanDerWaalsContact C-N 3.34Å; A1214-A1217 PolarHBondContact O-N 3.34Å; A1214-A1218 WeakPolarHBondContact O-CB 3.46Å; A1214-A1218 PolarHBondContact O-N 3.4Å |
| 1215 | A | 44.1 | Very low | 42 | Very low | 67 Ų | 67 | 85 Ų | 85 | 55% | 0.554 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65 | -35.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1211 A1212 A1219 | A1211-A1215 WeakPolarHBondContact O-CB 3.42Å; A1211-A1215 PolarHBondContact O-N 2.81Å; A1212-A1215 PolarHBondContact O-N 3.31Å; A1215-A1219 PolarHBondContact O-N 3Å |
| 1216 | A | 40.9 | Very low | 41.1 | Very low | 47 Ų | 47 | 91.1 Ų | 91.1 | 39% | 0.388 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.9 | -45.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1212 A1213 A1214 A1218 A1219 T1220 | A1212-A1216 WeakPolarHBondContact O-CB 3.45Å; A1212-A1216 PolarHBondContact O-N 3.1Å; A1213-A1216 PolarHBondContact O-N 3.14Å; A1214-A1216 VanDerWaalsContact C-N 3.34Å; A1216-A1218 PolarHBondContact O-N 2.83Å; A1216-A1219 WeakPolarHBondContact O-CB 3.42Å; A1216-A1219 PolarHBondContact O-N 3.43Å; A1216-A1219 VanDerWaalsContact O-N 3.1Å; A1216-T1220 PolarHBondContact O-N 2.86Å; A1216-T1220 VanDerWaalsContact O-N 3.16Å; A1216-T1220 PolarHBondContact O-OG1 2.88Å |
| 1217 | A | 42.5 | Very low | 40.1 | Very low | 50 Ų | 50 | 93.7 Ų | 93.7 | 41% | 0.413 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60.9 | -45 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1213 A1214 A1219 T1220 D1221 | A1213-A1217 WeakPolarHBondContact O-CB 3.33Å; A1213-A1217 PolarHBondContact O-N 3.48Å; A1214-A1217 PolarHBondContact O-N 3.34Å; A1217-A1219 PolarHBondContact O-N 2.85Å; A1217-T1220 WeakPolarHBondContact CA-OG1 3.19Å; A1217-T1220 PolarHBondContact O-N 3.46Å; A1217-T1220 PolarHBondContact O-OG1 3.22Å; A1217-D1221 PolarHBondContact O-N 2.78Å; A1217-D1221 VanDerWaalsContact O-N 3.12Å |
| 1218 | A | 42.2 | Very low | 39.4 | Very low | 65 Ų | 65 | 94.7 Ų | 94.7 | 54% | 0.537 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.1 | -22.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A1214 A1216 | A1214-A1218 WeakPolarHBondContact O-CB 3.46Å; A1214-A1218 PolarHBondContact O-N 3.4Å; A1216-A1218 PolarHBondContact O-N 2.83Å |
| 1219 | A | 39.3 | Very low | 38.8 | Very low | 68 Ų | 68 | 97.9 Ų | 97.9 | 56% | 0.562 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -84.2 | -24 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1215 A1216 A1217 | A1215-A1219 PolarHBondContact O-N 3Å; A1216-A1219 WeakPolarHBondContact O-CB 3.42Å; A1216-A1219 PolarHBondContact O-N 3.43Å; A1216-A1219 VanDerWaalsContact O-N 3.1Å; A1217-A1219 PolarHBondContact O-N 2.85Å |
| 1220 | T | 40.5 | Very low | 38 | Very low | 89 Ų | 89 | 102.2 Ų | 102.2 | 55% | 0.546 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -87.9 | -35.7 | -179.9 | 47.2 | 0 | 0 | 0 | 0 | 114 | A1216 A1217 H1222 S1223 | A1216-T1220 PolarHBondContact O-N 2.86Å; A1216-T1220 VanDerWaalsContact O-N 3.16Å; A1216-T1220 PolarHBondContact O-OG1 2.88Å; A1217-T1220 WeakPolarHBondContact CA-OG1 3.19Å; A1217-T1220 PolarHBondContact O-N 3.46Å; A1217-T1220 PolarHBondContact O-OG1 3.22Å; T1220-H1222 PolarHBondContact O-N 3.48Å; T1220-H1222 VanDerWaalsContact O-N 3.12Å; T1220-S1223 PolarHBondContact O-N 2.87Å; T1220-S1223 PolarHBondContact O-OG 3.48Å |
| 1221 | D | 36.5 | Very low | 37.2 | Very low | 127 Ų | 127 | 104.1 Ų | 104.1 | 68% | 0.679 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -63.9 | -19.4 | -175.6 | -97.3 | -12.5 | 0 | 0 | 0 | 114.2 | A1217 S1223 | A1217-D1221 PolarHBondContact O-N 2.78Å; A1217-D1221 VanDerWaalsContact O-N 3.12Å; D1221-S1223 PolarHBondContact O-N 3.17Å |
| 1222 | H | 37 | Very low | 36.4 | Very low | 175 Ų | 175 | 108.4 Ų | 108.4 | 81% | 0.81 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -76.1 | 5.4 | 177.3 | -90.8 | -72.2 | 0 | 0 | 0 | 115.1 | T1220 | T1220-H1222 PolarHBondContact O-N 3.48Å; T1220-H1222 VanDerWaalsContact O-N 3.12Å |
| 1223 | S | 31.8 | Very low | 35.7 | Very low | 98 Ų | 98 | 112.6 Ų | 112.6 | 69% | 0.685 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -111.9 | 10.5 | -173.6 | 65.5 | 0 | 0 | 0 | 0 | 115.8 | T1220 D1221 | T1220-S1223 PolarHBondContact O-N 2.87Å; T1220-S1223 PolarHBondContact O-OG 3.48Å; D1221-S1223 PolarHBondContact O-N 3.17Å |
| 1224 | T | 31.8 | Very low | 35 | Very low | 104 Ų | 104 | 115.3 Ų | 115.3 | 64% | 0.638 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -138.3 | 160.4 | 170.7 | 48 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1225 | V | 30.4 | Very low | 34.2 | Very low | 137 Ų | 137 | 120.9 Ų | 120.9 | 83% | 0.83 | 69% | 0.686 | S | S | * | * | | | trans | 68.6 | 61.9 | 176.3 | -159.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1226 | F | 26.2 | Very low | 33.6 | Very low | 213 Ų | 213 | 124.1 Ų | 124.1 | 93% | 0.934 | 70% | 0.699 | S | S | * | * | | | trans | -108.7 | 85.3 | 156.6 | -118.7 | -82.5 | 0 | 0 | 0 | 109.8 | | |
| 1227 | S | 28.9 | Very low | 33.3 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | | | trans | -160.5 | 124.4 | 170.9 | -85.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1228 | H | 32.1 | Very low | 33.2 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | | | trans | 65.3 | 107.4 | 164.3 | -73.2 | -71.5 | 0 | 0 | 0 | 122 | | |
| 1229 | R | 32.9 | Very low | 33 | Very low | 191 Ų | 191 | 132.5 Ų | 132.5 | 72% | 0.721 | 73% | 0.731 | S | S | * | * | | | trans | 81.6 | 101.4 | 138 | -67.6 | 179.9 | 169.2 | 168.1 | -3.5 | 119.9 | | |
| 1230 | N | 30.9 | Very low | 33.4 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | | | | 7.5 | 142.5 | 126.3 | -52.5 | 11.2 | 0 | 0 | 0 | 117 | | |
| 1231 | S | 31.8 | Very low | 34.1 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | | | cis | -162.3 | 153.6 | 43 | -130.1 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1232 | I | 30.9 | Very low | 34.7 | Very low | 153 Ų | 153 | 131 Ų | 131 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | | | trans | 62.7 | 90.7 | 153.8 | -52.7 | 156.4 | 0 | 0 | 0 | 118.3 | | |
| 1233 | L | 29.4 | Very low | 35.2 | Very low | 141 Ų | 141 | 125.7 Ų | 125.7 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | | | | -161.2 | 146.2 | 127.1 | -102.1 | 169.7 | 0 | 0 | 0 | 107.2 | Q1235 | L1233-Q1235 PolarHBondContact O-N 3.27Š|
| 1234 | P | 29.3 | Very low | 36.1 | Very low | 118 Ų | 118 | 124 Ų | 124 | 77% | 0.766 | 70% | 0.702 | S | S | * | * | | | trans | -80.7 | 80.3 | -173.8 | 33.1 | -33.8 | 0 | 0 | 0 | 111.1 | T1236 | P1234-T1236 PolarHBondContact O-N 3.03Š|
| 1235 | Q | 30 | Very low | 37.6 | Very low | 177 Ų | 177 | 123.6 Ų | 123.6 | 83% | 0.827 | 70% | 0.7 | S | S | * | * | | | trans | -65.8 | 119.3 | 163 | -67.9 | -166 | 9.3 | 0 | 0 | 108.8 | L1233 V1237 | L1233-Q1235 PolarHBondContact O-N 3.27Å; Q1235-V1237 VanDerWaalsContact C-N 3.33Å; Q1235-V1237 PolarHBondContact O-N 2.86Å |
| 1236 | T | 31.5 | Very low | 38.7 | Very low | 136 Ų | 136 | 120.1 Ų | 120.1 | 83% | 0.834 | 69% | 0.685 | S | S | * | * | | | trans | -70 | 91.2 | 171.7 | 50.7 | 0 | 0 | 0 | 0 | 108.8 | P1234 P1238 | P1234-T1236 PolarHBondContact O-N 3.03Å; T1236-P1238 WeakPolarHBondContact O-CD 3.46Å |
| 1237 | V | 34.6 | Very low | 40.2 | Very low | 124 Ų | 124 | 113 Ų | 113 | 75% | 0.752 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -56 | 121.5 | 172.3 | -177.1 | 0 | 0 | 0 | 0 | 107.8 | Q1235 D1239 | Q1235-V1237 VanDerWaalsContact C-N 3.33Å; Q1235-V1237 PolarHBondContact O-N 2.86Å; V1237-D1239 PolarHBondContact O-N 3.27Å |
| 1238 | P | 39.6 | Very low | 41.7 | Very low | 98 Ų | 98 | 111 Ų | 111 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 130.9 | 176.3 | 27.6 | -33 | 0 | 0 | 0 | 108.8 | T1236 | T1236-P1238 WeakPolarHBondContact O-CD 3.46Š|
| 1239 | D | 37.7 | Very low | 43 | Very low | 115 Ų | 115 | 105.7 Ų | 105.7 | 62% | 0.615 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -52 | 132.4 | 179 | -85.2 | -53 | 0 | 0 | 0 | 110.4 | V1237 T1241 S1242 | V1237-D1239 PolarHBondContact O-N 3.27Å; D1239-T1241 PolarHBondContact O-N 3.3Å; D1239-S1242 WeakPolarHBondContact O-CB 3.32Å; D1239-S1242 PolarHBondContact O-N 3.49Å; D1239-S1242 PolarHBondContact O-OG 2.84Å |
| 1240 | P | 47.7 | Very low | 44.5 | Very low | 103 Ų | 103 | 99.5 Ų | 99.5 | 67% | 0.669 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -61.7 | -21.5 | -178.2 | 23.4 | -33.3 | 0 | 0 | 0 | 112.7 | S1242 A1244 | P1240-S1242 VanDerWaalsContact C-N 3.31Å; P1240-S1242 PolarHBondContact O-N 2.86Å; P1240-A1244 WeakPolarHBondContact O-CB 3.48Å; P1240-A1244 PolarHBondContact O-N 3.41Å; P1240-A1244 VanDerWaalsContact O-N 3.13Å |
| 1241 | T | 55.3 | Low | 46.1 | Very low | 95 Ų | 95 | 95.2 Ų | 95.2 | 58% | 0.583 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.8 | -30 | 171.3 | 59.4 | 0 | 0 | 0 | 0 | 112.9 | D1239 T1245 | D1239-T1241 PolarHBondContact O-N 3.3Å; T1241-T1245 WeakPolarHBondContact O-CB 3.27Å; T1241-T1245 WeakPolarHBondContact O-CG2 2.97Å; T1241-T1245 PolarHBondContact O-N 3.43Å; T1241-T1245 PolarHBondContact O-OG1 3.22Å |
| 1242 | S | 48.6 | Very low | 47.7 | Very low | 54 Ų | 54 | 93.4 Ų | 93.4 | 38% | 0.378 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -72.2 | -41.9 | 177.5 | 72.6 | 0 | 0 | 0 | 0 | 112 | D1239 P1240 T1245 A1246 | D1239-S1242 WeakPolarHBondContact O-CB 3.32Å; D1239-S1242 PolarHBondContact O-N 3.49Å; D1239-S1242 PolarHBondContact O-OG 2.84Å; P1240-S1242 VanDerWaalsContact C-N 3.31Å; P1240-S1242 PolarHBondContact O-N 2.86Å; S1242-T1245 WeakPolarHBondContact CA-OG1 3.44Å; S1242-T1245 PolarHBondContact O-N 2.78Å; S1242-T1245 PolarHBondContact O-OG1 2.92Å; S1242-T1245 VanDerWaalsContact O-OG1 3.12Å; S1242-A1246 WeakPolarHBondContact O-CB 3.45Å; S1242-A1246 PolarHBondContact O-N 3.49Å |
| 1243 | A | 47.2 | Very low | 49.4 | Very low | 65 Ų | 65 | 90.7 Ų | 90.7 | 54% | 0.537 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.9 | -45.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T1245 A1246 A1247 | A1243-T1245 PolarHBondContact O-N 3.14Å; A1243-A1246 PolarHBondContact O-N 2.83Å; A1243-A1247 WeakPolarHBondContact O-CB 3.49Å; A1243-A1247 PolarHBondContact O-N 2.94Å |
| 1244 | A | 52.3 | Low | 51.2 | Low | 63 Ų | 63 | 85.7 Ų | 85.7 | 52% | 0.521 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.7 | -40.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P1240 A1248 | P1240-A1244 WeakPolarHBondContact O-CB 3.48Å; P1240-A1244 PolarHBondContact O-N 3.41Å; P1240-A1244 VanDerWaalsContact O-N 3.13Å; A1244-A1248 WeakPolarHBondContact O-CB 3.48Å; A1244-A1248 PolarHBondContact O-N 3.39Å |
| 1245 | T | 63 | Low | 53 | Low | 95 Ų | 95 | 83.1 Ų | 83.1 | 58% | 0.583 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -72.3 | -35.3 | 176.8 | 47.3 | 0 | 0 | 0 | 0 | 112.7 | T1241 S1242 A1243 A1248 A1249 | T1241-T1245 WeakPolarHBondContact O-CB 3.27Å; T1241-T1245 WeakPolarHBondContact O-CG2 2.97Å; T1241-T1245 PolarHBondContact O-N 3.43Å; T1241-T1245 PolarHBondContact O-OG1 3.22Å; S1242-T1245 WeakPolarHBondContact CA-OG1 3.44Å; S1242-T1245 PolarHBondContact O-N 2.78Å; S1242-T1245 PolarHBondContact O-OG1 2.92Å; S1242-T1245 VanDerWaalsContact O-OG1 3.12Å; A1243-T1245 PolarHBondContact O-N 3.14Å; T1245-A1248 PolarHBondContact O-N 3.24Å; T1245-A1249 WeakPolarHBondContact O-CB 3.45Å; T1245-A1249 PolarHBondContact O-N 3.41Å |
| 1246 | A | 53 | Low | 54.7 | Low | 63 Ų | 63 | 77.6 Ų | 77.6 | 52% | 0.521 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1242 A1243 A1249 A1250 | S1242-A1246 WeakPolarHBondContact O-CB 3.45Å; S1242-A1246 PolarHBondContact O-N 3.49Å; A1243-A1246 PolarHBondContact O-N 2.83Å; A1246-A1249 PolarHBondContact O-N 2.87Å; A1246-A1250 PolarHBondContact O-N 3.31Å |
| 1247 | A | 57.7 | Low | 56.5 | Low | 63 Ų | 63 | 72.9 Ų | 72.9 | 52% | 0.521 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1243 A1249 A1250 A1251 | A1243-A1247 WeakPolarHBondContact O-CB 3.49Å; A1243-A1247 PolarHBondContact O-N 2.94Å; A1247-A1249 PolarHBondContact O-N 3.35Å; A1247-A1250 PolarHBondContact O-N 3.48Å; A1247-A1251 WeakPolarHBondContact O-CB 3.13Å; A1247-A1251 PolarHBondContact O-N 3Å |
| 1248 | A | 59.7 | Low | 58.2 | Low | 62 Ų | 62 | 71.3 Ų | 71.3 | 51% | 0.512 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1244 T1245 A1251 A1252 | A1244-A1248 WeakPolarHBondContact O-CB 3.48Å; A1244-A1248 PolarHBondContact O-N 3.39Å; T1245-A1248 PolarHBondContact O-N 3.24Å; A1248-A1251 PolarHBondContact O-N 2.95Å; A1248-A1252 WeakPolarHBondContact O-CB 3.25Å; A1248-A1252 PolarHBondContact O-N 3.38Å |
| 1249 | A | 59.8 | Low | 59.8 | Low | 54 Ų | 54 | 70.7 Ų | 70.7 | 45% | 0.446 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | T1245 A1246 A1247 A1251 A1252 V1253 | T1245-A1249 WeakPolarHBondContact O-CB 3.45Å; T1245-A1249 PolarHBondContact O-N 3.41Å; A1246-A1249 PolarHBondContact O-N 2.87Å; A1247-A1249 PolarHBondContact O-N 3.35Å; A1249-A1251 PolarHBondContact O-N 2.89Å; A1249-A1252 PolarHBondContact O-N 2.99Å; A1249-V1253 WeakPolarHBondContact O-CG2 3.43Å; A1249-V1253 PolarHBondContact O-N 2.97Å |
| 1250 | A | 64.4 | Low | 61.5 | Low | 61 Ų | 61 | 66.6 Ų | 66.6 | 50% | 0.504 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | A1246 A1247 A1252 V1253 A1254 | A1246-A1250 PolarHBondContact O-N 3.31Å; A1247-A1250 PolarHBondContact O-N 3.48Å; A1250-A1252 PolarHBondContact O-N 3.46Å; A1250-V1253 PolarHBondContact O-N 3.37Å; A1250-A1254 WeakPolarHBondContact O-CB 3.23Å; A1250-A1254 PolarHBondContact O-N 3.4Å |
| 1251 | A | 64.9 | Low | 63.1 | Low | 61 Ų | 61 | 64.3 Ų | 64.3 | 50% | 0.504 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1247 A1248 A1249 A1254 A1255 | A1247-A1251 WeakPolarHBondContact O-CB 3.13Å; A1247-A1251 PolarHBondContact O-N 3Å; A1248-A1251 PolarHBondContact O-N 2.95Å; A1249-A1251 PolarHBondContact O-N 2.89Å; A1251-A1254 PolarHBondContact O-N 2.89Å; A1251-A1255 WeakPolarHBondContact O-CB 3.25Å; A1251-A1255 PolarHBondContact O-N 3.5Å |
| 1252 | A | 64.9 | Low | 64.4 | Low | 61 Ų | 61 | 65.6 Ų | 65.6 | 50% | 0.504 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -40 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1248 A1249 A1250 A1255 A1256 | A1248-A1252 WeakPolarHBondContact O-CB 3.25Å; A1248-A1252 PolarHBondContact O-N 3.38Å; A1249-A1252 PolarHBondContact O-N 2.99Å; A1250-A1252 PolarHBondContact O-N 3.46Å; A1252-A1255 PolarHBondContact O-N 2.89Å; A1252-A1256 WeakPolarHBondContact O-CB 3.38Å; A1252-A1256 PolarHBondContact O-N 2.89Å |
| 1253 | V | 67.4 | Low | 65.7 | Low | 95 Ų | 95 | 69 Ų | 69 | 58% | 0.576 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.6 | -42 | 174.7 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | A1249 A1250 A1256 A1257 | A1249-V1253 WeakPolarHBondContact O-CG2 3.43Å; A1249-V1253 PolarHBondContact O-N 2.97Å; A1250-V1253 PolarHBondContact O-N 3.37Å; V1253-A1256 PolarHBondContact O-N 3.23Å; V1253-A1257 WeakPolarHBondContact O-CB 3.25Å; V1253-A1257 PolarHBondContact O-N 3.14Å |
| 1254 | A | 67 | Low | 67.3 | Low | 36 Ų | 36 | 71.4 Ų | 71.4 | 30% | 0.298 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1208 A1250 A1251 A1257 A1258 | Y1208-A1254 HydrophobicContact CE1-CB 4.29Å; Y1208-A1254 WeakPolarHBondContact OH-CA 3.39Å; A1250-A1254 WeakPolarHBondContact O-CB 3.23Å; A1250-A1254 PolarHBondContact O-N 3.4Å; A1251-A1254 PolarHBondContact O-N 2.89Å; A1254-A1257 PolarHBondContact O-N 3.28Å; A1254-A1258 WeakPolarHBondContact O-CB 3.49Å; A1254-A1258 PolarHBondContact O-N 2.96Å |
| 1255 | A | 67.7 | Low | 68.6 | Low | 64 Ų | 64 | 72.1 Ų | 72.1 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1251 A1252 A1258 A1259 | A1251-A1255 WeakPolarHBondContact O-CB 3.25Å; A1251-A1255 PolarHBondContact O-N 3.5Å; A1252-A1255 PolarHBondContact O-N 2.89Å; A1255-A1258 PolarHBondContact O-N 2.96Å; A1255-A1259 WeakPolarHBondContact O-CB 3.46Å; A1255-A1259 PolarHBondContact O-N 3.32Å; A1255-A1259 VanDerWaalsContact O-N 3.09Å |
| 1256 | A | 65.9 | Low | 69.4 | Low | 62 Ų | 62 | 72.7 Ų | 72.7 | 51% | 0.512 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1252 V1253 A1259 A1260 | A1252-A1256 WeakPolarHBondContact O-CB 3.38Å; A1252-A1256 PolarHBondContact O-N 2.89Å; V1253-A1256 PolarHBondContact O-N 3.23Å; A1256-A1259 PolarHBondContact O-N 2.91Å; A1256-A1260 PolarHBondContact O-N 3.39Å; A1256-A1260 VanDerWaalsContact O-N 3.14Å |
| 1257 | A | 67.4 | Low | 70.4 | Confident | 36 Ų | 36 | 75.3 Ų | 75.3 | 30% | 0.298 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -39.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1253 A1254 A1259 A1260 | V1253-A1257 WeakPolarHBondContact O-CB 3.25Å; V1253-A1257 PolarHBondContact O-N 3.14Å; A1254-A1257 PolarHBondContact O-N 3.28Å; A1257-A1259 VanDerWaalsContact C-N 3.29Å; A1257-A1259 PolarHBondContact O-N 3.09Å; A1257-A1260 PolarHBondContact O-N 3.42Å |
| 1258 | A | 70.9 | Confident | 71.2 | Confident | 92 Ų | 92 | 76.8 Ų | 76.8 | 76% | 0.76 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.8 | -22.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1254 A1255 | A1254-A1258 WeakPolarHBondContact O-CB 3.49Å; A1254-A1258 PolarHBondContact O-N 2.96Å; A1255-A1258 PolarHBondContact O-N 2.96Å |
| 1259 | A | 72.4 | Confident | 71.9 | Confident | 84 Ų | 84 | 75.6 Ų | 75.6 | 69% | 0.694 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -91.9 | -12.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | A1255 A1256 A1257 | A1255-A1259 WeakPolarHBondContact O-CB 3.46Å; A1255-A1259 PolarHBondContact O-N 3.32Å; A1255-A1259 VanDerWaalsContact O-N 3.09Å; A1256-A1259 PolarHBondContact O-N 2.91Å; A1257-A1259 VanDerWaalsContact C-N 3.29Å; A1257-A1259 PolarHBondContact O-N 3.09Å |
| 1260 | A | 74.1 | Confident | 72.4 | Confident | 30 Ų | 30 | 76.6 Ų | 76.6 | 25% | 0.248 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -74.1 | 141.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1256 A1257 Q1264 L1265 | A1256-A1260 PolarHBondContact O-N 3.39Å; A1256-A1260 VanDerWaalsContact O-N 3.14Å; A1257-A1260 PolarHBondContact O-N 3.42Å; A1260-Q1264 HydrophobicContact CB-CB 4.04Å; A1260-L1265 HydrophobicContact CB-CD2 3.8Å; A1260-L1265 HydrophobicContact CB-CG 3.8Å |
| 1261 | S | 81.8 | Confident | 72.4 | Confident | 54 Ų | 54 | 78.4 Ų | 78.4 | 38% | 0.378 | 50% | 0.499 | S | S | . | . | | | trans | -69.3 | 162.9 | 170.7 | 75.5 | 0 | 0 | 0 | 0 | 111.5 | D1263 Q1264 L1265 | S1261-D1263 VanDerWaalsContact C-N 3.25Å; S1261-D1263 PolarHBondContact O-N 2.81Å; S1261-Q1264 WeakPolarHBondContact O-CB 3.2Å; S1261-Q1264 PolarHBondContact O-N 3.47Å; S1261-Q1264 WeakPolarHBondContact OG-CG 3.3Å; S1261-Q1264 PolarHBondContact OG-N 2.82Å; S1261-Q1264 VanDerWaalsContact OG-N 3.14Å; S1261-Q1264 PolarHBondContact OG-OE1 2.95Å; S1261-L1265 PolarHBondContact O-N 3.46Å |
| 1262 | V | 81.3 | Confident | 72.3 | Confident | 122 Ų | 122 | 81.1 Ų | 81.1 | 74% | 0.739 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.7 | -38.5 | 175.8 | -178 | 0 | 0 | 0 | 0 | 111.4 | L1265 L1266 | V1262-L1265 PolarHBondContact O-N 3.4Å; V1262-L1266 VanDerWaalsContact O-CB 3.26Å; V1262-L1266 WeakPolarHBondContact O-CB 3.48Å; V1262-L1266 PolarHBondContact O-N 2.95Å |
| 1263 | D | 76.5 | Confident | 72.1 | Confident | 127 Ų | 127 | 83.3 Ų | 83.3 | 68% | 0.679 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.7 | -38.2 | 172.8 | -75.3 | -27.2 | 0 | 0 | 0 | 112.4 | S1261 H1267 | S1261-D1263 VanDerWaalsContact C-N 3.25Å; S1261-D1263 PolarHBondContact O-N 2.81Å; D1263-H1267 VanDerWaalsContact O-CB 3.23Å; D1263-H1267 WeakPolarHBondContact O-CB 3.01Å; D1263-H1267 PolarHBondContact O-N 3.35Å |
| 1264 | Q | 80.7 | Confident | 71.4 | Confident | 115 Ų | 115 | 82.6 Ų | 82.6 | 54% | 0.537 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.6 | -39.9 | 177.5 | -74.8 | 171.3 | -36.4 | 0 | 0 | 111.8 | A1260 S1261 H1267 L1268 | A1260-Q1264 HydrophobicContact CB-CB 4.04Å; S1261-Q1264 WeakPolarHBondContact O-CB 3.2Å; S1261-Q1264 PolarHBondContact O-N 3.47Å; S1261-Q1264 WeakPolarHBondContact OG-CG 3.3Å; S1261-Q1264 PolarHBondContact OG-N 2.82Å; S1261-Q1264 VanDerWaalsContact OG-N 3.14Å; S1261-Q1264 PolarHBondContact OG-OE1 2.95Å; Q1264-H1267 PolarHBondContact O-N 2.9Å; Q1264-L1268 VanDerWaalsContact O-CB 3.27Å; Q1264-L1268 WeakPolarHBondContact O-CB 3.35Å; Q1264-L1268 PolarHBondContact O-N 3.26Å |
| 1265 | L | 81.2 | Confident | 70.7 | Confident | 78 Ų | 78 | 85.8 Ų | 85.8 | 41% | 0.408 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.6 | -39.5 | 173.9 | -69.4 | 173.8 | 0 | 0 | 0 | 111.5 | A1260 S1261 V1262 L1268 A1269 | A1260-L1265 HydrophobicContact CB-CD2 3.8Å; A1260-L1265 HydrophobicContact CB-CG 3.8Å; S1261-L1265 PolarHBondContact O-N 3.46Å; V1262-L1265 PolarHBondContact O-N 3.4Å; L1265-L1268 PolarHBondContact O-N 2.96Å; L1265-A1269 VanDerWaalsContact O-CB 3.31Å; L1265-A1269 WeakPolarHBondContact O-CB 3.46Å; L1265-A1269 PolarHBondContact O-N 2.91Å |
| 1266 | L | 79.1 | Confident | 70.2 | Confident | 107 Ų | 107 | 85.4 Ų | 85.4 | 56% | 0.56 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66 | -44.8 | 174.2 | -178.2 | 61.7 | 0 | 0 | 0 | 111.5 | V1262 L1268 A1269 V1270 | V1262-L1266 VanDerWaalsContact O-CB 3.26Å; V1262-L1266 WeakPolarHBondContact O-CB 3.48Å; V1262-L1266 PolarHBondContact O-N 2.95Å; L1266-L1268 VanDerWaalsContact C-N 3.33Å; L1266-L1268 PolarHBondContact O-N 3.48Å; L1266-A1269 PolarHBondContact O-N 2.95Å; L1266-V1270 HydrophobicContact CD1-CG2 4.42Å; L1266-V1270 WeakPolarHBondContact O-CB 3.27Å; L1266-V1270 VanDerWaalsContact O-CG2 3.3Å; L1266-V1270 WeakPolarHBondContact O-CG2 3.48Å; L1266-V1270 PolarHBondContact O-N 3.43Å |
| 1267 | H | 73.2 | Confident | 69.7 | Low | 117 Ų | 117 | 85.4 Ų | 85.4 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.6 | -37.2 | 175.8 | -169 | -74.1 | 0 | 0 | 0 | 111.7 | D1263 Q1264 Q1271 | D1263-H1267 VanDerWaalsContact O-CB 3.23Å; D1263-H1267 WeakPolarHBondContact O-CB 3.01Å; D1263-H1267 PolarHBondContact O-N 3.35Å; Q1264-H1267 PolarHBondContact O-N 2.9Å; H1267-Q1271 PolarHBondContact CE1-OE1 3.39Å; H1267-Q1271 VanDerWaalsContact ND1-CD 3.29Å; H1267-Q1271 PolarHBondContact ND1-OE1 2.86Å; H1267-Q1271 WeakPolarHBondContact O-CB 3.46Å; H1267-Q1271 VanDerWaalsContact O-CG 3.25Å; H1267-Q1271 WeakPolarHBondContact O-CG 3.31Å; H1267-Q1271 PolarHBondContact O-N 3.44Å; H1267-Q1271 PolarHBondContact O-OE1 3Å |
| 1268 | L | 74.5 | Confident | 70 | Confident | 94 Ų | 94 | 93.8 Ų | 93.8 | 49% | 0.492 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.6 | -41.6 | 174.9 | -160.4 | 80.8 | 0 | 0 | 0 | 111.4 | Q1264 L1265 L1266 Q1271 L1272 | Q1264-L1268 VanDerWaalsContact O-CB 3.27Å; Q1264-L1268 WeakPolarHBondContact O-CB 3.35Å; Q1264-L1268 PolarHBondContact O-N 3.26Å; L1265-L1268 PolarHBondContact O-N 2.96Å; L1266-L1268 VanDerWaalsContact C-N 3.33Å; L1266-L1268 PolarHBondContact O-N 3.48Å; L1268-Q1271 PolarHBondContact O-N 2.99Å; L1268-L1272 HydrophobicContact CG-CD1 4.39Å; L1268-L1272 WeakPolarHBondContact O-CB 3.43Å; L1268-L1272 VanDerWaalsContact O-CG 3.25Å; L1268-L1272 WeakPolarHBondContact O-CG 3.37Å; L1268-L1272 PolarHBondContact O-N 3.29Å |
| 1269 | A | 73.7 | Confident | 70.5 | Confident | 38 Ų | 38 | 90.1 Ų | 90.1 | 31% | 0.314 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | L1265 L1266 Q1271 L1272 E1273 | L1265-A1269 VanDerWaalsContact O-CB 3.31Å; L1265-A1269 WeakPolarHBondContact O-CB 3.46Å; L1265-A1269 PolarHBondContact O-N 2.91Å; L1266-A1269 PolarHBondContact O-N 2.95Å; A1269-Q1271 VanDerWaalsContact C-N 3.28Å; A1269-Q1271 PolarHBondContact O-N 3.46Å; A1269-L1272 CarbonylContact O-C 3.58Å; A1269-L1272 WeakPolarHBondContact O-CA 3.37Å; A1269-L1272 PolarHBondContact O-N 2.9Å; A1269-E1273 WeakPolarHBondContact O-CG 3.35Å; A1269-E1273 PolarHBondContact O-N 2.92Å |
| 1270 | V | 71.1 | Confident | 71.1 | Confident | 75 Ų | 75 | 87 Ų | 87 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.3 | -35.1 | 174.3 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | L1266 S1274 | L1266-V1270 HydrophobicContact CD1-CG2 4.42Å; L1266-V1270 WeakPolarHBondContact O-CB 3.27Å; L1266-V1270 VanDerWaalsContact O-CG2 3.3Å; L1266-V1270 WeakPolarHBondContact O-CG2 3.48Å; L1266-V1270 PolarHBondContact O-N 3.43Å; V1270-S1274 WeakPolarHBondContact O-CA 3.23Å; V1270-S1274 WeakPolarHBondContact O-CB 3.36Å; V1270-S1274 PolarHBondContact O-N 3.32Å |
| 1271 | Q | 65.3 | Low | 71.7 | Confident | 98 Ų | 98 | 87.6 Ų | 87.6 | 46% | 0.458 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.3 | -32.7 | 172.7 | -76.8 | 176.9 | -66.2 | 0 | 0 | 113.3 | H1267 L1268 A1269 N1275 | H1267-Q1271 PolarHBondContact CE1-OE1 3.39Å; H1267-Q1271 VanDerWaalsContact ND1-CD 3.29Å; H1267-Q1271 PolarHBondContact ND1-OE1 2.86Å; H1267-Q1271 WeakPolarHBondContact O-CB 3.46Å; H1267-Q1271 VanDerWaalsContact O-CG 3.25Å; H1267-Q1271 WeakPolarHBondContact O-CG 3.31Å; H1267-Q1271 PolarHBondContact O-N 3.44Å; H1267-Q1271 PolarHBondContact O-OE1 3Å; L1268-Q1271 PolarHBondContact O-N 2.99Å; A1269-Q1271 VanDerWaalsContact C-N 3.28Å; A1269-Q1271 PolarHBondContact O-N 3.46Å; Q1271-N1275 PolarHBondContact O-N 3.31Å; Q1271-N1275 PolarHBondContact O-ND2 3.48Å |
| 1272 | L | 63.1 | Low | 72 | Confident | 118 Ų | 118 | 91 Ų | 91 | 62% | 0.618 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -75.1 | -33.9 | 175.3 | -69.4 | 167.1 | 0 | 0 | 0 | 112 | L1268 A1269 N1275 | L1268-L1272 HydrophobicContact CG-CD1 4.39Å; L1268-L1272 WeakPolarHBondContact O-CB 3.43Å; L1268-L1272 VanDerWaalsContact O-CG 3.25Å; L1268-L1272 WeakPolarHBondContact O-CG 3.37Å; L1268-L1272 PolarHBondContact O-N 3.29Å; A1269-L1272 CarbonylContact O-C 3.58Å; A1269-L1272 WeakPolarHBondContact O-CA 3.37Å; A1269-L1272 PolarHBondContact O-N 2.9Å; L1272-N1275 WeakPolarHBondContact O-CB 3.38Å; L1272-N1275 PolarHBondContact O-N 3.33Å |
| 1273 | E | 58.8 | Low | 72.2 | Confident | 108 Ų | 108 | 91 Ų | 91 | 51% | 0.505 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -76.1 | -36.2 | 172.6 | -69.2 | 171.4 | 179.8 | 0 | 0 | 112.1 | A1269 N1275 R1363 | A1269-E1273 WeakPolarHBondContact O-CG 3.35Å; A1269-E1273 PolarHBondContact O-N 2.92Å; E1273-N1275 PolarHBondContact O-N 3.02Å; E1273-R1363 PolarHBondContact O-NH2 3.43Å |
| 1274 | S | 54.7 | Low | 72.8 | Confident | 80 Ų | 80 | 88.7 Ų | 88.7 | 56% | 0.559 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -72.1 | -6.5 | 172.1 | -177.8 | 0 | 0 | 0 | 0 | 113 | V1270 N1276 | V1270-S1274 WeakPolarHBondContact O-CA 3.23Å; V1270-S1274 WeakPolarHBondContact O-CB 3.36Å; V1270-S1274 PolarHBondContact O-N 3.32Å; S1274-N1276 PolarHBondContact O-N 2.91Å |
| 1275 | N | 52 | Low | 73.2 | Confident | 103 Ų | 103 | 83.5 Ų | 83.5 | 55% | 0.551 | 44% | 0.441 | S | S | * | . | | | trans | -73.8 | 62.3 | 167.4 | -85.1 | -37 | 0 | 0 | 0 | 111.2 | Q1271 L1272 E1273 G1277 R1278 | Q1271-N1275 PolarHBondContact O-N 3.31Å; Q1271-N1275 PolarHBondContact O-ND2 3.48Å; L1272-N1275 WeakPolarHBondContact O-CB 3.38Å; L1272-N1275 PolarHBondContact O-N 3.33Å; E1273-N1275 PolarHBondContact O-N 3.02Å; N1275-G1277 PolarHBondContact O-N 3.49Å; N1275-R1278 PolarHBondContact O-N 3Å |
| 1276 | N | 55.5 | Low | 73.5 | Confident | 56 Ų | 56 | 85.4 Ų | 85.4 | 30% | 0.299 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 5.9 | 168.2 | -72.1 | -17.9 | 0 | 0 | 0 | 114.2 | S1274 R1363 | S1274-N1276 PolarHBondContact O-N 2.91Å; N1276-R1363 VanDerWaalsContact OD1-CZ 3.23Å; N1276-R1363 PolarHBondContact OD1-NE 2.98Å; N1276-R1363 PolarHBondContact OD1-NH2 3.46Å |
| 1277 | G | 57.3 | Low | 74 | Confident | 62 Ų | 62 | 83.2 Ų | 83.2 | 64% | 0.639 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -1.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | N1275 T1361 | N1275-G1277 PolarHBondContact O-N 3.49Å; G1277-T1361 CarbonylContact C-O 3.51Å |
| 1278 | R | 72 | Confident | 74.7 | Confident | 211 Ų | 211 | 77.8 Ų | 77.8 | 80% | 0.796 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -80.6 | 128.9 | 159 | -159.4 | 179.5 | -175.2 | -176.5 | 0.5 | 108.5 | N1275 | N1275-R1278 PolarHBondContact O-N 3Š|
| 1279 | G | 83.1 | Confident | 75.5 | Confident | 16 Ų | 16 | 76.7 Ų | 76.7 | 17% | 0.165 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 172.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1359 | G1279-L1359 CarbonylContact C-O 3.55Å; G1279-L1359 WeakPolarHBondContact CA-O 3.3Å |
| 1280 | L | 84.3 | Confident | 76.3 | Confident | 17 Ų | 17 | 78.8 Ų | 78.8 | 9% | 0.089 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -62 | 150.8 | 171.5 | -86.3 | 65.1 | 0 | 0 | 0 | 110.7 | E1284 L1285 L1288 L1359 R1363 A1372 | L1280-E1284 WeakPolarHBondContact CA-OE2 3.42Å; L1280-E1284 HydrophobicContact CB-CB 4.04Å; L1280-E1284 HydrophobicContact CD2-CB 4.07Å; L1280-E1284 HydrophobicContact CG-CB 4Å; L1280-L1285 HydrophobicContact CB-CB 4.38Å; L1280-L1288 HydrophobicContact CD2-CD1 4.05Å; L1280-L1359 HydrophobicContact CD1-CD2 4.21Å; L1280-L1359 PolarHBondContact N-O 3.29Å; L1280-R1363 VanDerWaalsContact CD1-CA 3.48Å; L1280-R1363 HydrophobicContact CD1-CB 3.53Å; L1280-A1372 HydrophobicContact CD1-CB 4.11Å; L1280-A1372 HydrophobicContact CD2-CB 4.2Å |
| 1281 | S | 87.2 | Confident | 77.3 | Confident | 43 Ų | 43 | 79.3 Ų | 79.3 | 30% | 0.301 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -62 | 165.5 | 162.1 | 103.6 | 0 | 0 | 0 | 0 | 110.7 | E1283 E1284 L1285 | S1281-E1283 VanDerWaalsContact C-N 3.27Å; S1281-E1283 VanDerWaalsContact CB-OE2 3.22Å; S1281-E1283 WeakPolarHBondContact CB-OE2 3.45Å; S1281-E1283 PolarHBondContact O-N 3.49Å; S1281-E1283 PolarHBondContact OG-N 2.96Å; S1281-E1283 PolarHBondContact OG-OE2 3.47Å; S1281-E1284 PolarHBondContact N-OE2 3.49Å; S1281-E1284 PolarHBondContact OG-N 2.97Å; S1281-L1285 VanDerWaalsContact O-CB 3.27Å; S1281-L1285 WeakPolarHBondContact O-CB 3.42Å; S1281-L1285 PolarHBondContact O-N 2.86Å |
| 1282 | K | 87 | Confident | 78.6 | Confident | 125 Ų | 125 | 79.6 Ų | 79.6 | 54% | 0.543 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64 | -39.7 | 176.6 | -177.6 | -164.3 | 164.9 | -155.9 | 0 | 110.5 | L1285 E1286 | K1282-L1285 PolarHBondContact O-N 2.94Å; K1282-E1286 VanDerWaalsContact CE-CD 3.41Å; K1282-E1286 WeakPolarHBondContact CE-OE1 3.27Å; K1282-E1286 VanDerWaalsContact CE-OE2 3.31Å; K1282-E1286 WeakPolarHBondContact CE-OE2 3.2Å; K1282-E1286 IonicContact NZ-OE1 3.73Å; K1282-E1286 IonicContact NZ-OE2 3.77Å; K1282-E1286 WeakPolarHBondContact O-CB 3.49Å; K1282-E1286 WeakPolarHBondContact O-CG 3.47Å; K1282-E1286 PolarHBondContact O-N 3.5Å |
| 1283 | E | 86.7 | Confident | 79.9 | Confident | 124 Ų | 124 | 74.8 Ų | 74.8 | 58% | 0.579 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -69.8 | -44.4 | -177.8 | -52.6 | 67.4 | -144.3 | 0 | 0 | 110.9 | S1281 L1285 E1286 S1287 | S1281-E1283 VanDerWaalsContact C-N 3.27Å; S1281-E1283 VanDerWaalsContact CB-OE2 3.22Å; S1281-E1283 WeakPolarHBondContact CB-OE2 3.45Å; S1281-E1283 PolarHBondContact O-N 3.49Å; S1281-E1283 PolarHBondContact OG-N 2.96Å; S1281-E1283 PolarHBondContact OG-OE2 3.47Å; E1283-L1285 VanDerWaalsContact C-N 3.31Å; E1283-L1285 PolarHBondContact O-N 3.5Å; E1283-E1286 PolarHBondContact O-N 2.95Å; E1283-S1287 PolarHBondContact O-N 3.34Å |
| 1284 | E | 87.8 | Confident | 81.1 | Confident | 78 Ų | 78 | 74.2 Ų | 74.2 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 172.1 | -69.5 | 176.6 | 144.4 | 0 | 0 | 111.4 | L1280 S1281 S1287 F1373 | L1280-E1284 WeakPolarHBondContact CA-OE2 3.42Å; L1280-E1284 HydrophobicContact CB-CB 4.04Å; L1280-E1284 HydrophobicContact CD2-CB 4.07Å; L1280-E1284 HydrophobicContact CG-CB 4Å; S1281-E1284 PolarHBondContact N-OE2 3.49Å; S1281-E1284 PolarHBondContact OG-N 2.97Å; E1284-S1287 PolarHBondContact O-N 3.36Å; E1284-S1287 PolarHBondContact O-OG 3.37Å; E1284-F1373 HydrophobicContact CB-CD2 4.31Å; E1284-F1373 HydrophobicContact CG-CD2 4.48Å; E1284-F1373 HydrophobicContact CG-CE2 4.46Å |
| 1285 | L | 89.2 | Confident | 82.2 | Confident | 5 Ų | 5 | 72.5 Ų | 72.5 | 3% | 0.026 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.3 | -42.4 | 178.2 | -179.8 | 60.7 | 0 | 0 | 0 | 112.1 | L1280 S1281 K1282 E1283 S1287 L1288 R1342 D1356 L1359 K1360 | L1280-L1285 HydrophobicContact CB-CB 4.38Å; S1281-L1285 VanDerWaalsContact O-CB 3.27Å; S1281-L1285 WeakPolarHBondContact O-CB 3.42Å; S1281-L1285 PolarHBondContact O-N 2.86Å; K1282-L1285 PolarHBondContact O-N 2.94Å; E1283-L1285 VanDerWaalsContact C-N 3.31Å; E1283-L1285 PolarHBondContact O-N 3.5Å; L1285-S1287 VanDerWaalsContact C-N 3.26Å; L1285-S1287 PolarHBondContact O-N 2.97Å; L1285-L1288 HydrophobicContact CD1-CD1 4.46Å; L1285-L1288 PolarHBondContact O-N 3.49Å; L1285-R1342 VanDerWaalsContact O-CZ 3.29Å; L1285-R1342 PolarHBondContact O-NH1 3.32Å; L1285-D1356 HydrophobicContact CD1-CB 4.49Å; L1285-D1356 HydrophobicContact CD2-CB 3.94Å; L1285-L1359 HydrophobicContact CD1-CB 3.86Å; L1285-L1359 HydrophobicContact CD1-CD1 3.46Å; L1285-L1359 VanDerWaalsContact CD1-CD1 3.46Å; L1285-L1359 HydrophobicContact CD1-CG 4.32Å; L1285-K1360 HydrophobicContact CD2-CG 4.29Å |
| 1286 | E | 88.1 | Confident | 82.8 | Confident | 118 Ų | 118 | 76.4 Ų | 76.4 | 55% | 0.551 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -68.5 | -23.5 | 177.2 | -75.4 | 172.9 | 171.5 | 0 | 0 | 112.4 | K1282 E1283 L1288 | K1282-E1286 VanDerWaalsContact CE-CD 3.41Å; K1282-E1286 WeakPolarHBondContact CE-OE1 3.27Å; K1282-E1286 VanDerWaalsContact CE-OE2 3.31Å; K1282-E1286 WeakPolarHBondContact CE-OE2 3.2Å; K1282-E1286 IonicContact NZ-OE1 3.73Å; K1282-E1286 IonicContact NZ-OE2 3.77Å; K1282-E1286 WeakPolarHBondContact O-CB 3.49Å; K1282-E1286 WeakPolarHBondContact O-CG 3.47Å; K1282-E1286 PolarHBondContact O-N 3.5Å; E1283-E1286 PolarHBondContact O-N 2.95Å; E1286-L1288 VanDerWaalsContact C-N 3.28Å; E1286-L1288 PolarHBondContact O-N 3.36Å |
| 1287 | S | 89 | Confident | 82.6 | Confident | 62 Ų | 62 | 81.7 Ų | 81.7 | 43% | 0.434 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -15 | 174.1 | 83.3 | 0 | 0 | 0 | 0 | 115.5 | E1283 E1284 L1285 F1373 | E1283-S1287 PolarHBondContact O-N 3.34Å; E1284-S1287 PolarHBondContact O-N 3.36Å; E1284-S1287 PolarHBondContact O-OG 3.37Å; L1285-S1287 VanDerWaalsContact C-N 3.26Å; L1285-S1287 PolarHBondContact O-N 2.97Å; S1287-F1373 WeakPolarHBondContact OG-CE2 3.25Å |
| 1288 | L | 88.5 | Confident | 81.8 | Confident | 3 Ų | 3 | 83.4 Ų | 83.4 | 2% | 0.016 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -82 | 132.6 | -177.9 | -68.8 | 175.8 | 0 | 0 | 0 | 111.4 | L1280 L1285 E1286 I1290 R1342 M1344 R1345 L1359 A1372 | L1280-L1288 HydrophobicContact CD2-CD1 4.05Å; L1285-L1288 HydrophobicContact CD1-CD1 4.46Å; L1285-L1288 PolarHBondContact O-N 3.49Å; E1286-L1288 VanDerWaalsContact C-N 3.28Å; E1286-L1288 PolarHBondContact O-N 3.36Å; L1288-I1290 PolarHBondContact O-N 2.98Å; L1288-R1342 HydrophobicContact CB-CG 4.04Å; L1288-R1342 PolarHBondContact O-NH1 3.29Å; L1288-M1344 HydrophobicContact CD1-CE 4.02Å; L1288-M1344 HydrophobicContact CD1-SD 4.38Å; L1288-R1345 HydrophobicContact CD2-CG 4.1Å; L1288-L1359 HydrophobicContact CD1-CD1 3.79Å; L1288-A1372 WeakPolarHBondContact CD2-O 3.36Å |
| 1289 | P | 90.4 | Very high | 80.6 | Confident | 70 Ų | 70 | 80.6 Ų | 80.6 | 46% | 0.455 | 42% | 0.421 | S | S | . | . | | | trans | -62.1 | 129.4 | -170.2 | 23.8 | -33.2 | 0 | 0 | 0 | 112.9 | R1342 Q1343 | P1289-R1342 WeakPolarHBondContact O-CA 3.29Å; P1289-Q1343 HydrophobicContact CG-CB 4.32Å; P1289-Q1343 WeakPolarHBondContact CG-O 3.46Å; P1289-Q1343 PolarHBondContact O-N 3.5Å |
| 1290 | I | 92.1 | Very high | 78.8 | Confident | 83 Ų | 83 | 85 Ų | 85 | 43% | 0.426 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 133 | 171.5 | -53.3 | 177.6 | 0 | 0 | 0 | 108.3 | L1288 Q1340 I1341 R1342 | L1288-I1290 PolarHBondContact O-N 2.98Å; I1290-Q1340 HydrophobicContact CG2-CB 3.95Å; I1290-Q1340 HydrophobicContact CG2-CG 4.24Å; I1290-I1341 CarbonylContact C-O 3.59Å; I1290-I1341 WeakPolarHBondContact CA-O 3.4Å; I1290-R1342 HydrophobicContact CG1-CB 4.48Å; I1290-R1342 HydrophobicContact CG1-CG 4.4Å; I1290-R1342 VanDerWaalsContact CG1-NH1 3.34Å |
| 1291 | R | 91.7 | Very high | 77 | Confident | 86 Ų | 86 | 92.4 Ų | 92.4 | 33% | 0.325 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 155.4 | 169.7 | 65.5 | 179.8 | -167.4 | 78.8 | -7.2 | 109.8 | I1341 E1349 | R1291-I1341 HydrophobicContact CG-CB 4.15Å; R1291-I1341 PolarHBondContact N-O 3.17Å; R1291-I1341 PolarHBondContact O-N 3.36Å; R1291-I1341 VanDerWaalsContact O-O 3.12Å; R1291-E1349 IonicContact CZ-OE1 2.7Å; R1291-E1349 IonicContact CZ-OE2 2.77Å; R1291-E1349 IonicContact NE-OE1 3.16Å; R1291-E1349 PolarHBondContact NE-OE1 3.48Å; R1291-E1349 IonicContact NE-OE2 2.91Å; R1291-E1349 VanDerWaalsContact NH2-CD 3.33Å; R1291-E1349 IonicContact NH2-OE1 3.98Å; R1291-E1349 PolarHBondContact NH2-OE1 3.02Å; R1291-E1349 IonicContact NH2-OE2 3.3Å; R1291-E1349 PolarHBondContact NH2-OE2 3.13Å |
| 1292 | L | 91.8 | Very high | 75 | Confident | 103 Ų | 103 | 95.6 Ų | 95.6 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 145.8 | 165.7 | -57.3 | -176.1 | 0 | 0 | 0 | 109.3 | Q1339 Q1340 | L1292-Q1339 CarbonylContact C-O 3.03Å; L1292-Q1339 WeakPolarHBondContact CA-O 3.39Å; L1292-Q1340 HydrophobicContact CD2-CG 3.88Å |
| 1293 | Y | 90.2 | Very high | 72.9 | Confident | 18 Ų | 18 | 95.3 Ų | 95.3 | 7% | 0.071 | 53% | 0.525 | C | S | . | . | | | trans | -78.9 | 142.6 | 167.8 | -173.2 | -103.7 | 0 | 0 | 0 | 110.9 | D1326 Y1335 A1336 S1338 Q1339 I1341 | Y1293-D1326 WeakPolarHBondContact OH-CB 3.45Å; Y1293-D1326 PolarHBondContact OH-OD1 3.48Å; Y1293-Y1335 AromaticContact CD2-CD2 3.79Å; Y1293-Y1335 HydrophobicContact CD2-CD2 3.79Å; Y1293-Y1335 AromaticContact CD2-CG 3.99Å; Y1293-Y1335 HydrophobicContact CD2-CG 3.99Å; Y1293-Y1335 WeakPolarHBondContact CE1-O 3.47Å; Y1293-Y1335 AromaticContact CE2-CD2 3.72Å; Y1293-Y1335 HydrophobicContact CE2-CD2 3.72Å; Y1293-Y1335 HydrophobicContact CE2-CG 4.16Å; Y1293-Y1335 HydrophobicContact CG-CG 4.29Å; Y1293-A1336 WeakPolarHBondContact CD1-O 3.35Å; Y1293-S1338 PolarHBondContact O-N 3.29Å; Y1293-Q1339 PolarHBondContact N-O 2.99Å; Y1293-I1341 HydrophobicContact CD2-CG1 4.47Å |
| 1294 | T | 84.2 | Confident | 70.5 | Confident | 96 Ų | 96 | 93 Ų | 93 | 59% | 0.589 | 53% | 0.534 | S | S | * | . | | | trans | -136.2 | 115.7 | 167.4 | 49.4 | 0 | 0 | 0 | 0 | 108 | | |
| 1295 | S | 77.8 | Confident | 68.4 | Low | 44 Ų | 44 | 98.6 Ų | 98.6 | 31% | 0.308 | 56% | 0.557 | S | S | . | * | | | trans | -64.4 | 142.1 | 169.8 | 70.3 | 0 | 0 | 0 | 0 | 108.9 | H1297 D1337 | S1295-H1297 PolarHBondContact O-N 3Å; S1295-D1337 VanDerWaalsContact CB-OD1 3.27Å; S1295-D1337 WeakPolarHBondContact CB-OD1 3.2Å; S1295-D1337 PolarHBondContact N-OD1 3.15Å; S1295-D1337 PolarHBondContact OG-OD1 3.14Å; S1295-D1337 PolarHBondContact OG-OD2 3.4Å |
| 1296 | K | 65.5 | Low | 65.9 | Low | 184 Ų | 184 | 103.8 Ų | 103.8 | 80% | 0.8 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -93.5 | 31.9 | -179.5 | -66 | 179.3 | 180 | 171.4 | 0 | 111.8 | | |
| 1297 | H | 50.6 | Low | 63.3 | Low | 168 Ų | 168 | 104.9 Ų | 104.9 | 78% | 0.778 | 60% | 0.601 | S | S | * | * | | | trans | -127.1 | 32.7 | -157.1 | -98.8 | -77.8 | 0 | 0 | 0 | 116.6 | S1295 | S1295-H1297 PolarHBondContact O-N 3Š|
| 1298 | S | 40.5 | Very low | 60.8 | Low | 98 Ų | 98 | 108.2 Ų | 108.2 | 69% | 0.685 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -150.8 | 139.7 | 149.2 | 57.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1299 | D | 46.1 | Very low | 58.7 | Low | 151 Ų | 151 | 112.2 Ų | 112.2 | 81% | 0.807 | 64% | 0.643 | S | S | * | * | S | Bend | trans | 71.2 | 123.9 | 162.5 | -54.5 | -25.3 | 0 | 0 | 0 | 121.1 | | |
| 1300 | S | 46.9 | Very low | 56.6 | Low | 110 Ų | 110 | 115.9 Ų | 115.9 | 77% | 0.769 | 66% | 0.657 | S | S | * | * | | | trans | 74.5 | 92.6 | 148.4 | -55.9 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1301 | L | 45.5 | Very low | 54.3 | Low | 172 Ų | 172 | 114 Ų | 114 | 90% | 0.901 | 65% | 0.651 | S | S | * | * | | | trans | 31.4 | 127.6 | 137 | -74.5 | 74 | 0 | 0 | 0 | 121.1 | | |
| 1302 | S | 45.4 | Very low | 52.1 | Low | 110 Ų | 110 | 115.4 Ų | 115.4 | 77% | 0.769 | 67% | 0.665 | S | S | * | * | | | trans | 94 | 127.9 | 143.9 | -157.2 | 0 | 0 | 0 | 0 | 120 | | |
| 1303 | S | 42.3 | Very low | 49.5 | Very low | 119 Ų | 119 | 117.7 Ų | 117.7 | 83% | 0.832 | 67% | 0.673 | S | S | * | * | | | trans | 63.7 | 111.5 | 149.5 | -57 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1304 | G | 36.5 | Very low | 47.4 | Very low | 74 Ų | 74 | 121.6 Ų | 121.6 | 76% | 0.763 | 70% | 0.699 | S | S | * | * | | | trans | 124.4 | 97.3 | 156.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | P1306 | G1304-P1306 WeakPolarHBondContact O-CD 3.43Š|
| 1305 | K | 43.7 | Very low | 45.1 | Very low | 196 Ų | 196 | 124.6 Ų | 124.6 | 85% | 0.852 | 70% | 0.704 | S | S | * | * | | | trans | -89.7 | 120.4 | 165.5 | -79.6 | -171.7 | 175.5 | -173.8 | 0 | 110.8 | | |
| 1306 | P | 37.3 | Very low | 43.2 | Very low | 114 Ų | 114 | 127.4 Ų | 127.4 | 74% | 0.74 | 72% | 0.719 | S | S | * | * | | | trans | -89.4 | 131.4 | 145.8 | 32.4 | -28.8 | 0 | 0 | 0 | 109.9 | G1304 | G1304-P1306 WeakPolarHBondContact O-CD 3.43Š|
| 1307 | N | 32.9 | Very low | 41.7 | Very low | 142 Ų | 142 | 126.1 Ų | 126.1 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | | | trans | -90.7 | 103.3 | 179.3 | -67.9 | -29.7 | 0 | 0 | 0 | 111.3 | | |
| 1308 | T | 37.3 | Very low | 41.2 | Very low | 131 Ų | 131 | 123.9 Ų | 123.9 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | | | trans | -158.9 | 81.9 | 160.5 | 47.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1309 | T | 45 | Very low | 41.1 | Very low | 88 Ų | 88 | 128.3 Ų | 128.3 | 54% | 0.54 | 73% | 0.729 | S | S | . | * | | | trans | -155 | 107.7 | 155.8 | 15.1 | 0 | 0 | 0 | 0 | 108.6 | C1311 | T1309-C1311 PolarHBondContact O-N 2.92Š|
| 1310 | I | 46.3 | Very low | 40.7 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | | | trans | -97 | 83.9 | 169.8 | -56.8 | 179 | 0 | 0 | 0 | 107.6 | | |
| 1311 | C | 42.5 | Very low | 40.2 | Very low | 43 Ų | 43 | 131.2 Ų | 131.2 | 29% | 0.291 | 74% | 0.736 | S | S | . | * | | | trans | -88.6 | 127.5 | 162 | -40.9 | 0 | 0 | 0 | 0 | 105.6 | T1309 E1313 C1325 | T1309-C1311 PolarHBondContact O-N 2.92Å; C1311-E1313 PolarHBondContact O-N 3.36Å; C1311-E1313 VanDerWaalsContact O-N 3.08Å; C1311-C1325 HydrophobicContact CB-CB 4.17Å; C1311-C1325 WeakPolarHBondContact CB-SG 3.41Å; C1311-C1325 WeakPolarHBondContact SG-CA 3.42Å; C1311-C1325 WeakPolarHBondContact SG-CB 3.37Å; C1311-C1325 CovalentContact SG-SG 2.02Å; C1311-C1325 PolarHBondContact SG-SG 2.95Å |
| 1312 | N | 45 | Very low | 40 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 63% | 0.626 | 71% | 0.714 | S | S | * | * | | | trans | -65.2 | 114.1 | -172.7 | -64.5 | -50.4 | 0 | 0 | 0 | 110.1 | V1314 | N1312-V1314 VanDerWaalsContact C-N 3.29Å; N1312-V1314 PolarHBondContact O-N 2.92Å |
| 1313 | E | 39 | Very low | 40 | Very low | 151 Ų | 151 | 123.5 Ų | 123.5 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | | | trans | -68.7 | 78.1 | -178.6 | -70.7 | -162.5 | 136.4 | 0 | 0 | 112.8 | C1311 K1315 | C1311-E1313 PolarHBondContact O-N 3.36Å; C1311-E1313 VanDerWaalsContact O-N 3.08Å; E1313-K1315 VanDerWaalsContact C-N 3.3Å; E1313-K1315 HydrophobicContact CB-CG 4.43Å; E1313-K1315 PolarHBondContact O-N 3.12Å; E1313-K1315 VanDerWaalsContact O-N 3.12Å; E1313-K1315 IonicContact OE1-NZ 2.71Å; E1313-K1315 PolarHBondContact OE1-NZ 2.93Å; E1313-K1315 IonicContact OE2-NZ 3.59Å; E1313-K1315 PolarHBondContact OE2-NZ 3.37Å |
| 1314 | V | 45.5 | Very low | 40.5 | Very low | 100 Ų | 100 | 123.3 Ų | 123.3 | 61% | 0.606 | 68% | 0.679 | S | S | * | * | | | trans | -81.6 | 82.1 | 163 | -175.1 | 0 | 0 | 0 | 0 | 107.6 | N1312 T1316 | N1312-V1314 VanDerWaalsContact C-N 3.29Å; N1312-V1314 PolarHBondContact O-N 2.92Å; V1314-T1316 HydrophobicContact CG1-CG2 4.29Å; V1314-T1316 PolarHBondContact O-N 3.06Å |
| 1315 | K | 36.8 | Very low | 41.8 | Very low | 159 Ų | 159 | 121.6 Ų | 121.6 | 69% | 0.691 | 66% | 0.655 | S | S | * | * | | | trans | -68.7 | 72.1 | -179.5 | -73.4 | -166.5 | 166.3 | 100.4 | 0 | 112.9 | E1313 N1317 | E1313-K1315 VanDerWaalsContact C-N 3.3Å; E1313-K1315 HydrophobicContact CB-CG 4.43Å; E1313-K1315 PolarHBondContact O-N 3.12Å; E1313-K1315 VanDerWaalsContact O-N 3.12Å; E1313-K1315 IonicContact OE1-NZ 2.71Å; E1313-K1315 PolarHBondContact OE1-NZ 2.93Å; E1313-K1315 IonicContact OE2-NZ 3.59Å; E1313-K1315 PolarHBondContact OE2-NZ 3.37Å; K1315-N1317 PolarHBondContact O-N 3.16Å |
| 1316 | T | 37 | Very low | 43.7 | Very low | 102 Ų | 102 | 114.3 Ų | 114.3 | 63% | 0.626 | 63% | 0.625 | S | S | * | * | | | trans | -78.4 | 112.8 | 165.9 | 41.4 | 0 | 0 | 0 | 0 | 110.4 | V1314 T1318 | V1314-T1316 HydrophobicContact CG1-CG2 4.29Å; V1314-T1316 PolarHBondContact O-N 3.06Å; T1316-T1318 PolarHBondContact O-N 3.22Å |
| 1317 | N | 34 | Very low | 46.3 | Very low | 158 Ų | 158 | 112.9 Ų | 112.9 | 85% | 0.845 | 61% | 0.605 | S | S | * | * | | | trans | -75.7 | 81.3 | -172.8 | -176.2 | 18.5 | 0 | 0 | 0 | 113 | K1315 | K1315-N1317 PolarHBondContact O-N 3.16Š|
| 1318 | T | 40.1 | Very low | 49.3 | Very low | 120 Ų | 120 | 106.1 Ų | 106.1 | 74% | 0.736 | 57% | 0.569 | S | S | * | * | | | trans | -139.6 | 130.4 | 168.8 | 45.3 | 0 | 0 | 0 | 0 | 110.7 | T1316 N1320 | T1316-T1318 PolarHBondContact O-N 3.22Å; T1318-N1320 PolarHBondContact O-N 3.1Å; T1318-N1320 VanDerWaalsContact O-N 3.11Å |
| 1319 | Q | 38.6 | Very low | 51.9 | Low | 191 Ų | 191 | 104.2 Ų | 104.2 | 89% | 0.893 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -75.4 | 98.5 | -171.7 | -67.4 | 169.7 | -32.5 | 0 | 0 | 112.5 | | |
| 1320 | N | 38.4 | Very low | 54.2 | Low | 155 Ų | 155 | 102.9 Ų | 102.9 | 83% | 0.829 | 54% | 0.541 | S | S | * | . | | | trans | -168.8 | 80.8 | 154.4 | -98.6 | -15.1 | 0 | 0 | 0 | 107.3 | T1318 V1322 | T1318-N1320 PolarHBondContact O-N 3.1Å; T1318-N1320 VanDerWaalsContact O-N 3.11Å; N1320-V1322 VanDerWaalsContact C-N 3.26Å; N1320-V1322 PolarHBondContact O-N 2.76Å |
| 1321 | D | 35.8 | Very low | 56.5 | Low | 167 Ų | 167 | 98.1 Ų | 98.1 | 89% | 0.893 | 52% | 0.52 | S | S | * | . | | | trans | -83.3 | 63.1 | -164.1 | -150.9 | 10.2 | 0 | 0 | 0 | 112.3 | | |
| 1322 | V | 41.7 | Very low | 58.9 | Low | 75 Ų | 75 | 101.9 Ų | 101.9 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | | | trans | -80.3 | 110 | 158.7 | 178 | 0 | 0 | 0 | 0 | 106.1 | N1320 E1324 R1327 | N1320-V1322 VanDerWaalsContact C-N 3.26Å; N1320-V1322 PolarHBondContact O-N 2.76Å; V1322-E1324 PolarHBondContact O-N 3.23Å; V1322-R1327 HydrophobicContact CG1-CG 4.28Å |
| 1323 | S | 44.4 | Very low | 61.2 | Low | 45 Ų | 45 | 101 Ų | 101 | 32% | 0.315 | 53% | 0.532 | S | S | . | . | | | trans | -52 | 129.9 | -175.6 | -14.7 | 0 | 0 | 0 | 0 | 110.5 | C1325 D1326 | S1323-C1325 PolarHBondContact O-N 3.33Å; S1323-D1326 WeakPolarHBondContact CB-OD2 3.45Å; S1323-D1326 PolarHBondContact O-N 3.42Å; S1323-D1326 PolarHBondContact OG-OD2 2.96Å |
| 1324 | E | 53.8 | Low | 63.7 | Low | 116 Ų | 116 | 98.2 Ų | 98.2 | 54% | 0.542 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -65.8 | -8.8 | 177.3 | -60.6 | -161.9 | 127.2 | 0 | 0 | 113.1 | V1322 D1326 R1327 | V1322-E1324 PolarHBondContact O-N 3.23Å; E1324-D1326 VanDerWaalsContact C-N 3.31Å; E1324-R1327 IonicContact OE1-NH2 2.95Å |
| 1325 | C | 63.7 | Low | 66 | Low | 37 Ų | 37 | 94.1 Ų | 94.1 | 25% | 0.25 | 50% | 0.495 | C | S | . | . | G | 310 helix | trans | -62.8 | -31.5 | 164.2 | -61.6 | 0 | 0 | 0 | 0 | 114.3 | C1311 S1323 R1327 Y1335 | C1311-C1325 HydrophobicContact CB-CB 4.17Å; C1311-C1325 WeakPolarHBondContact CB-SG 3.41Å; C1311-C1325 WeakPolarHBondContact SG-CA 3.42Å; C1311-C1325 WeakPolarHBondContact SG-CB 3.37Å; C1311-C1325 CovalentContact SG-SG 2.02Å; C1311-C1325 PolarHBondContact SG-SG 2.95Å; S1323-C1325 PolarHBondContact O-N 3.33Å; C1325-R1327 VanDerWaalsContact C-N 3.33Å; C1325-R1327 PolarHBondContact O-N 3.35Å; C1325-Y1335 VanDerWaalsContact O-CE2 3.3Å; C1325-Y1335 WeakPolarHBondContact O-CE2 3.36Å |
| 1326 | D | 83.6 | Confident | 68.4 | Low | 43 Ų | 43 | 88.8 Ų | 88.8 | 23% | 0.23 | 48% | 0.481 | C | S | . | . | G | 310 helix | trans | -98.8 | 19.8 | -157.9 | -59.6 | -24.2 | 0 | 0 | 0 | 112.3 | Y1293 S1323 E1324 Y1335 | Y1293-D1326 WeakPolarHBondContact OH-CB 3.45Å; Y1293-D1326 PolarHBondContact OH-OD1 3.48Å; S1323-D1326 WeakPolarHBondContact CB-OD2 3.45Å; S1323-D1326 PolarHBondContact O-N 3.42Å; S1323-D1326 PolarHBondContact OG-OD2 2.96Å; E1324-D1326 VanDerWaalsContact C-N 3.31Å; D1326-Y1335 WeakPolarHBondContact O-CD2 3.46Å; D1326-Y1335 PolarHBondContact O-N 3.48Å |
| 1327 | R | 91 | Very high | 70.8 | Confident | 84 Ų | 84 | 88.2 Ų | 88.2 | 32% | 0.317 | 48% | 0.475 | S | S | . | . | B | Isolated β-bridge | trans | -136.4 | 142.7 | -173.7 | -51.3 | -165.5 | -71.2 | 175 | -5.9 | 112.5 | V1322 E1324 C1325 M1329 D1334 Y1335 | V1322-R1327 HydrophobicContact CG1-CG 4.28Å; E1324-R1327 IonicContact OE1-NH2 2.95Å; C1325-R1327 VanDerWaalsContact C-N 3.33Å; C1325-R1327 PolarHBondContact O-N 3.35Å; R1327-M1329 PolarHBondContact O-N 3.46Å; R1327-D1334 WeakPolarHBondContact CD-OD1 3.44Å; R1327-D1334 VanDerWaalsContact CG-OD1 3.24Å; R1327-D1334 WeakPolarHBondContact CG-OD1 3.4Å; R1327-Y1335 PolarHBondContact O-OH 2.98Å |
| 1328 | C | 95.4 | Very high | 73.3 | Confident | 0 Ų | 0 | 85 Ų | 85 | 0% | 0 | 47% | 0.465 | C | S | . | . | | | trans | -82.4 | 106.9 | -178.9 | -174.4 | 0 | 0 | 0 | 0 | 111.6 | I1330 C1331 L1332 D1333 Y1335 H1351 | C1328-I1330 PolarHBondContact O-N 3.46Å; C1328-C1331 VanDerWaalsContact CB-SG 3.59Å; C1328-C1331 PolarHBondContact O-N 3.43Å; C1328-C1331 VanDerWaalsContact SG-SG 3.68Å; C1328-L1332 VanDerWaalsContact O-CA 3.26Å; C1328-L1332 WeakPolarHBondContact O-CA 3.47Å; C1328-L1332 PolarHBondContact O-N 3.35Å; C1328-D1333 PolarHBondContact N-O 2.94Å; C1328-Y1335 HydrophobicContact CB-CD1 4.28Å; C1328-Y1335 HydrophobicContact CB-CE1 3.57Å; C1328-H1351 WeakPolarHBondContact CB-CE1 3.47Å; C1328-H1351 WeakPolarHBondContact CB-ND1 3.4Å; C1328-H1351 PolarHBondContact SG-N 3.05Å; C1328-H1351 VanDerWaalsContact SG-N 3.37Å; C1328-H1351 PolarHBondContact SG-ND1 2.78Å |
| 1329 | M | 92.4 | Very high | 75.8 | Confident | 91 Ų | 91 | 82.5 Ų | 82.5 | 45% | 0.448 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 16.7 | -177.1 | -61.4 | -65.1 | -75.2 | 0 | 0 | 115.7 | R1327 F1350 L1367 | R1327-M1329 PolarHBondContact O-N 3.46Å; M1329-F1350 HydrophobicContact CB-CE1 4.13Å; M1329-L1367 HydrophobicContact CB-CD1 3.92Å; M1329-L1367 HydrophobicContact CB-CD2 3.83Å; M1329-L1367 HydrophobicContact CB-CG 4.13Å; M1329-L1367 HydrophobicContact CE-CD2 4.13Å; M1329-L1367 HydrophobicContact CG-CD1 3.95Å; M1329-L1367 HydrophobicContact CG-CD2 4.08Å |
| 1330 | I | 92.7 | Very high | 78.4 | Confident | 61 Ų | 61 | 79.1 Ų | 79.1 | 31% | 0.313 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -44.6 | 173.4 | -63.4 | 168.2 | 0 | 0 | 0 | 111.5 | C1328 F1350 C1354 V1355 P1366 | C1328-I1330 PolarHBondContact O-N 3.46Å; I1330-F1350 HydrophobicContact CD1-CB 4.04Å; I1330-F1350 HydrophobicContact CD1-CD1 3.54Å; I1330-F1350 HydrophobicContact CD1-CE1 4.14Å; I1330-F1350 HydrophobicContact CD1-CG 3.86Å; I1330-F1350 HydrophobicContact CG1-CD1 3.61Å; I1330-F1350 HydrophobicContact CG1-CE1 3.96Å; I1330-F1350 HydrophobicContact CG1-CG 4.43Å; I1330-C1354 HydrophobicContact CB-CB 3.97Å; I1330-C1354 HydrophobicContact CD1-CB 4.03Å; I1330-C1354 HydrophobicContact CG2-CB 3.87Å; I1330-V1355 HydrophobicContact CD1-CB 3.75Å; I1330-V1355 HydrophobicContact CD1-CG2 4.15Å; I1330-P1366 HydrophobicContact CD1-CG 4Å; I1330-P1366 HydrophobicContact CG1-CB 4.42Å; I1330-P1366 HydrophobicContact CG1-CG 4.15Å |
| 1331 | C | 94.7 | Very high | 81.1 | Confident | 46 Ų | 46 | 71.7 Ų | 71.7 | 31% | 0.311 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -14.4 | 176.1 | 54.8 | 0 | 0 | 0 | 0 | 113.6 | C1328 D1333 H1351 | C1328-C1331 VanDerWaalsContact CB-SG 3.59Å; C1328-C1331 PolarHBondContact O-N 3.43Å; C1328-C1331 VanDerWaalsContact SG-SG 3.68Å; C1331-D1333 VanDerWaalsContact CB-OD2 3.27Å; C1331-D1333 WeakPolarHBondContact CB-OD2 3.41Å; C1331-D1333 PolarHBondContact O-N 3.16Å; C1331-D1333 PolarHBondContact SG-OD2 3.4Å; C1331-H1351 PolarHBondContact SG-ND1 3.27Å; C1331-H1351 VanDerWaalsContact SG-ND1 3.43Å |
| 1332 | L | 93 | Very high | 83.8 | Confident | 122 Ų | 122 | 64 Ų | 64 | 64% | 0.639 | 35% | 0.347 | S | S | * | . | | | trans | 69.6 | 8.1 | -175.7 | -47.8 | 178.7 | 0 | 0 | 0 | 115.1 | C1328 | C1328-L1332 VanDerWaalsContact O-CA 3.26Å; C1328-L1332 WeakPolarHBondContact O-CA 3.47Å; C1328-L1332 PolarHBondContact O-N 3.35Å |
| 1333 | D | 93.1 | Very high | 86.2 | Confident | 98 Ų | 98 | 63.2 Ų | 63.2 | 52% | 0.524 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 147.8 | 173.3 | -53.5 | -58.3 | 0 | 0 | 0 | 112.2 | C1328 C1331 | C1328-D1333 PolarHBondContact N-O 2.94Å; C1331-D1333 VanDerWaalsContact CB-OD2 3.27Å; C1331-D1333 WeakPolarHBondContact CB-OD2 3.41Å; C1331-D1333 PolarHBondContact O-N 3.16Å; C1331-D1333 PolarHBondContact SG-OD2 3.4Å |
| 1334 | D | 92.3 | Very high | 88.4 | Confident | 93 Ų | 93 | 61.1 Ų | 61.1 | 50% | 0.497 | 32% | 0.324 | S | S | . | . | B | Isolated β-bridge | trans | -66.1 | 149.8 | 171.2 | -56.6 | -15.9 | 0 | 0 | 0 | 111.5 | R1327 | R1327-D1334 WeakPolarHBondContact CD-OD1 3.44Å; R1327-D1334 VanDerWaalsContact CG-OD1 3.24Å; R1327-D1334 WeakPolarHBondContact CG-OD1 3.4Å |
| 1335 | Y | 93.4 | Very high | 90.1 | Very high | 13 Ų | 13 | 61.4 Ų | 61.4 | 5% | 0.051 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 122.9 | 172 | -59.6 | -43.6 | 0 | 0 | 0 | 110.7 | Y1293 C1325 D1326 R1327 C1328 I1341 E1349 F1350 H1351 | Y1293-Y1335 AromaticContact CD2-CD2 3.79Å; Y1293-Y1335 HydrophobicContact CD2-CD2 3.79Å; Y1293-Y1335 AromaticContact CD2-CG 3.99Å; Y1293-Y1335 HydrophobicContact CD2-CG 3.99Å; Y1293-Y1335 WeakPolarHBondContact CE1-O 3.47Å; Y1293-Y1335 AromaticContact CE2-CD2 3.72Å; Y1293-Y1335 HydrophobicContact CE2-CD2 3.72Å; Y1293-Y1335 HydrophobicContact CE2-CG 4.16Å; Y1293-Y1335 HydrophobicContact CG-CG 4.29Å; C1325-Y1335 VanDerWaalsContact O-CE2 3.3Å; C1325-Y1335 WeakPolarHBondContact O-CE2 3.36Å; D1326-Y1335 WeakPolarHBondContact O-CD2 3.46Å; D1326-Y1335 PolarHBondContact O-N 3.48Å; R1327-Y1335 PolarHBondContact O-OH 2.98Å; C1328-Y1335 HydrophobicContact CB-CD1 4.28Å; C1328-Y1335 HydrophobicContact CB-CE1 3.57Å; Y1335-I1341 HydrophobicContact CD1-CD1 3.33Å; Y1335-I1341 HydrophobicContact CD1-CG1 4.46Å; Y1335-I1341 HydrophobicContact CD2-CD1 4.43Å; Y1335-I1341 HydrophobicContact CE1-CD1 3.48Å; Y1335-I1341 VanDerWaalsContact CE1-CD1 3.48Å; Y1335-I1341 HydrophobicContact CG-CD1 3.87Å; Y1335-E1349 VanDerWaalsContact OH-C 3.23Å; Y1335-E1349 PolarHBondContact OH-O 2.74Å; Y1335-F1350 WeakPolarHBondContact OH-CA 3.29Å; Y1335-F1350 PolarHBondContact OH-N 3.49Å; Y1335-H1351 AromaticContact CD1-CD2 3.79Å; Y1335-H1351 AromaticContact CD1-NE2 3.55Å |
| 1336 | A | 88.2 | Confident | 91.5 | Very high | 48 Ų | 48 | 60.4 Ų | 60.4 | 40% | 0.397 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -95.6 | 155.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y1293 Q1339 | Y1293-A1336 WeakPolarHBondContact CD1-O 3.35Å; A1336-Q1339 HydrophobicContact CB-CG 4.14Å; A1336-Q1339 VanDerWaalsContact O-CB 3.28Å; A1336-Q1339 WeakPolarHBondContact O-CB 3.49Å; A1336-Q1339 VanDerWaalsContact O-CG 3.29Å; A1336-Q1339 WeakPolarHBondContact O-CG 3.4Å; A1336-Q1339 PolarHBondContact O-N 3.27Å |
| 1337 | D | 87.5 | Confident | 91.8 | Very high | 90 Ų | 90 | 63.7 Ų | 63.7 | 48% | 0.481 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 142.7 | 180 | -63.5 | -41.7 | 0 | 0 | 0 | 112.5 | S1295 Q1339 | S1295-D1337 VanDerWaalsContact CB-OD1 3.27Å; S1295-D1337 WeakPolarHBondContact CB-OD1 3.2Å; S1295-D1337 PolarHBondContact N-OD1 3.15Å; S1295-D1337 PolarHBondContact OG-OD1 3.14Å; S1295-D1337 PolarHBondContact OG-OD2 3.4Å; D1337-Q1339 PolarHBondContact O-N 3.36Å; D1337-Q1339 VanDerWaalsContact O-N 3.16Å |
| 1338 | S | 86.4 | Confident | 91.9 | Very high | 91 Ų | 91 | 61.5 Ų | 61.5 | 64% | 0.636 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 2.9 | -176.1 | 74.6 | 0 | 0 | 0 | 0 | 116.8 | Y1293 | Y1293-S1338 PolarHBondContact O-N 3.29Š|
| 1339 | Q | 91.2 | Very high | 91.8 | Very high | 67 Ų | 67 | 62.7 Ų | 62.7 | 31% | 0.313 | 33% | 0.329 | S | S | . | . | | | trans | -65.3 | 141.9 | 170.7 | -70.9 | -179.4 | -14.5 | 0 | 0 | 111.4 | L1292 Y1293 A1336 D1337 I1341 H1351 | L1292-Q1339 CarbonylContact C-O 3.03Å; L1292-Q1339 WeakPolarHBondContact CA-O 3.39Å; Y1293-Q1339 PolarHBondContact N-O 2.99Å; A1336-Q1339 HydrophobicContact CB-CG 4.14Å; A1336-Q1339 VanDerWaalsContact O-CB 3.28Å; A1336-Q1339 WeakPolarHBondContact O-CB 3.49Å; A1336-Q1339 VanDerWaalsContact O-CG 3.29Å; A1336-Q1339 WeakPolarHBondContact O-CG 3.4Å; A1336-Q1339 PolarHBondContact O-N 3.27Å; D1337-Q1339 PolarHBondContact O-N 3.36Å; D1337-Q1339 VanDerWaalsContact O-N 3.16Å; Q1339-I1341 PolarHBondContact O-N 3Å; Q1339-H1351 PolarHBondContact OE1-CD2 2.94Å; Q1339-H1351 PolarHBondContact OE1-NE2 2.93Å |
| 1340 | Q | 93.7 | Very high | 91.9 | Very high | 119 Ų | 119 | 58.4 Ų | 58.4 | 56% | 0.556 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 115.5 | 177.2 | -71.3 | -179.7 | -5.6 | 0 | 0 | 111.1 | I1290 L1292 H1351 A1352 | I1290-Q1340 HydrophobicContact CG2-CB 3.95Å; I1290-Q1340 HydrophobicContact CG2-CG 4.24Å; L1292-Q1340 HydrophobicContact CD2-CG 3.88Å; Q1340-H1351 WeakPolarHBondContact O-CA 3.45Å; Q1340-A1352 HydrophobicContact CB-CB 4.15Å; Q1340-A1352 PolarHBondContact O-N 2.98Å |
| 1341 | I | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 123.6 | 176.6 | -52.5 | -50.4 | 0 | 0 | 0 | 108.2 | I1290 R1291 Y1293 Y1335 Q1339 E1349 F1350 | I1290-I1341 CarbonylContact C-O 3.59Å; I1290-I1341 WeakPolarHBondContact CA-O 3.4Å; R1291-I1341 HydrophobicContact CG-CB 4.15Å; R1291-I1341 PolarHBondContact N-O 3.17Å; R1291-I1341 PolarHBondContact O-N 3.36Å; R1291-I1341 VanDerWaalsContact O-O 3.12Å; Y1293-I1341 HydrophobicContact CD2-CG1 4.47Å; Y1335-I1341 HydrophobicContact CD1-CD1 3.33Å; Y1335-I1341 HydrophobicContact CD1-CG1 4.46Å; Y1335-I1341 HydrophobicContact CD2-CD1 4.43Å; Y1335-I1341 HydrophobicContact CE1-CD1 3.48Å; Y1335-I1341 VanDerWaalsContact CE1-CD1 3.48Å; Y1335-I1341 HydrophobicContact CG-CD1 3.87Å; Q1339-I1341 PolarHBondContact O-N 3Å; I1341-E1349 HydrophobicContact CG2-CB 3.8Å; I1341-E1349 HydrophobicContact CG2-CG 4.48Å; I1341-F1350 CarbonylContact C-O 3.37Å; I1341-F1350 VanDerWaalsContact CA-O 3.27Å; I1341-F1350 WeakPolarHBondContact CA-O 3.38Å; I1341-F1350 WeakPolarHBondContact CG2-O 3.5Å |
| 1342 | R | 93.6 | Very high | 92.1 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.015 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 127.3 | 170.2 | -171.1 | -175.4 | -62.2 | -79.2 | 12.7 | 108.7 | L1285 L1288 P1289 I1290 F1350 A1352 V1355 D1356 | L1285-R1342 VanDerWaalsContact O-CZ 3.29Å; L1285-R1342 PolarHBondContact O-NH1 3.32Å; L1288-R1342 HydrophobicContact CB-CG 4.04Å; L1288-R1342 PolarHBondContact O-NH1 3.29Å; P1289-R1342 WeakPolarHBondContact O-CA 3.29Å; I1290-R1342 HydrophobicContact CG1-CB 4.48Å; I1290-R1342 HydrophobicContact CG1-CG 4.4Å; I1290-R1342 VanDerWaalsContact CG1-NH1 3.34Å; R1342-F1350 PolarHBondContact N-O 2.97Å; R1342-F1350 PolarHBondContact O-N 2.83Å; R1342-A1352 HydrophobicContact CB-CB 4.12Å; R1342-V1355 HydrophobicContact CB-CG1 3.83Å; R1342-V1355 HydrophobicContact CG-CG1 4.36Å; R1342-D1356 IonicContact CZ-OD1 2.7Å; R1342-D1356 VanDerWaalsContact CZ-OD1 3.24Å; R1342-D1356 IonicContact CZ-OD2 2.71Å; R1342-D1356 IonicContact NE-OD1 2.85Å; R1342-D1356 PolarHBondContact NE-OD1 3.4Å; R1342-D1356 VanDerWaalsContact NH2-CG 3.28Å; R1342-D1356 IonicContact NH2-OD1 3.87Å; R1342-D1356 PolarHBondContact NH2-OD1 2.91Å; R1342-D1356 IonicContact NH2-OD2 2.65Å; R1342-D1356 PolarHBondContact NH2-OD2 2.95Å |
| 1343 | Q | 92 | Very high | 92.2 | Very high | 59 Ų | 59 | 51.9 Ų | 51.9 | 28% | 0.276 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 127.4 | 174 | -176.1 | 178.1 | 91.6 | 0 | 0 | 108.9 | P1289 E1349 | P1289-Q1343 HydrophobicContact CG-CB 4.32Å; P1289-Q1343 WeakPolarHBondContact CG-O 3.46Å; P1289-Q1343 PolarHBondContact O-N 3.5Å; Q1343-E1349 HydrophobicContact CB-CG 4.24Å; Q1343-E1349 HydrophobicContact CG-CG 4.05Å; Q1343-E1349 PolarHBondContact NE2-OE1 3.48Å |
| 1344 | M | 91.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 157.6 | 175.8 | -57.8 | -54.6 | -59.6 | 0 | 0 | 110.4 | L1288 C1346 L1347 H1348 F1350 V1355 L1359 A1372 | L1288-M1344 HydrophobicContact CD1-CE 4.02Å; L1288-M1344 HydrophobicContact CD1-SD 4.38Å; M1344-C1346 WeakPolarHBondContact CB-SG 3.43Å; M1344-C1346 PolarHBondContact O-N 3.12Å; M1344-C1346 VanDerWaalsContact O-N 3.12Å; M1344-L1347 WeakPolarHBondContact O-CA 3.37Å; M1344-L1347 PolarHBondContact O-N 3.28Å; M1344-H1348 WeakPolarHBondContact CB-O 3.37Å; M1344-H1348 WeakPolarHBondContact CG-O 3.36Å; M1344-H1348 PolarHBondContact N-O 3.12Å; M1344-F1350 HydrophobicContact CG-CD2 4.06Å; M1344-F1350 HydrophobicContact CG-CE2 3.8Å; M1344-V1355 HydrophobicContact SD-CG2 3.88Å; M1344-L1359 HydrophobicContact CE-CD1 3.9Å; M1344-L1359 HydrophobicContact CE-CD2 3.9Å; M1344-L1359 HydrophobicContact CE-CG 4.49Å; M1344-L1359 HydrophobicContact SD-CD1 4.07Å; M1344-A1372 HydrophobicContact CE-CB 3.32Å |
| 1345 | R | 89.5 | Confident | 92.4 | Very high | 122 Ų | 122 | 43.6 Ų | 43.6 | 46% | 0.46 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -20.9 | 173.5 | -64.4 | -165 | -170.2 | -165 | 4.2 | 113.8 | L1288 L1347 F1373 | L1288-R1345 HydrophobicContact CD2-CG 4.1Å; R1345-L1347 PolarHBondContact O-N 3.4Å; R1345-F1373 WeakPolarHBondContact CD-O 3.4Å; R1345-F1373 PolarHBondContact NE-O 3.49Å; R1345-F1373 PolarHBondContact NH1-O 3.42Å |
| 1346 | C | 92.4 | Very high | 92.4 | Very high | 16 Ų | 16 | 44.4 Ų | 44.4 | 11% | 0.108 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 18.9 | 168.7 | 62.3 | 0 | 0 | 0 | 0 | 113.9 | M1344 H1348 C1365 C1368 A1370 | M1344-C1346 WeakPolarHBondContact CB-SG 3.43Å; M1344-C1346 PolarHBondContact O-N 3.12Å; M1344-C1346 VanDerWaalsContact O-N 3.12Å; C1346-H1348 PolarHBondContact O-N 2.94Å; C1346-H1348 PolarHBondContact O-ND1 3.2Å; C1346-C1365 VanDerWaalsContact SG-SG 3.62Å; C1346-C1368 PolarHBondContact SG-SG 2.79Å; C1346-A1370 HydrophobicContact CB-CB 3.88Å |
| 1347 | L | 90.2 | Very high | 92.6 | Very high | 113 Ų | 113 | 49.2 Ų | 49.2 | 59% | 0.592 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 59.1 | 5.9 | 178.3 | -54.5 | -179.7 | 0 | 0 | 0 | 117.2 | M1344 R1345 | M1344-L1347 WeakPolarHBondContact O-CA 3.37Å; M1344-L1347 PolarHBondContact O-N 3.28Å; R1345-L1347 PolarHBondContact O-N 3.4Å |
| 1348 | H | 92.6 | Very high | 92.9 | Very high | 37 Ų | 37 | 49 Ų | 49 | 17% | 0.171 | 24% | 0.244 | C | C | . | . | | | trans | -78.3 | 145.5 | 173 | -67.2 | 75.1 | 0 | 0 | 0 | 110.5 | M1344 C1346 F1350 L1367 C1368 | M1344-H1348 WeakPolarHBondContact CB-O 3.37Å; M1344-H1348 WeakPolarHBondContact CG-O 3.36Å; M1344-H1348 PolarHBondContact N-O 3.12Å; C1346-H1348 PolarHBondContact O-N 2.94Å; C1346-H1348 PolarHBondContact O-ND1 3.2Å; H1348-F1350 HydrophobicContact CB-CE2 3.93Å; H1348-F1350 HydrophobicContact CB-CZ 4.24Å; H1348-L1367 HydrophobicContact CB-CD1 4.35Å; H1348-C1368 VanDerWaalsContact CE1-SG 3.57Å |
| 1349 | E | 93.6 | Very high | 93.2 | Very high | 26 Ų | 26 | 44.7 Ų | 44.7 | 12% | 0.121 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 145.6 | -170.2 | -59.4 | -167 | 130.9 | 0 | 0 | 111.5 | R1291 Y1335 I1341 Q1343 | R1291-E1349 IonicContact CZ-OE1 2.7Å; R1291-E1349 IonicContact CZ-OE2 2.77Å; R1291-E1349 IonicContact NE-OE1 3.16Å; R1291-E1349 PolarHBondContact NE-OE1 3.48Å; R1291-E1349 IonicContact NE-OE2 2.91Å; R1291-E1349 VanDerWaalsContact NH2-CD 3.33Å; R1291-E1349 IonicContact NH2-OE1 3.98Å; R1291-E1349 PolarHBondContact NH2-OE1 3.02Å; R1291-E1349 IonicContact NH2-OE2 3.3Å; R1291-E1349 PolarHBondContact NH2-OE2 3.13Å; Y1335-E1349 VanDerWaalsContact OH-C 3.23Å; Y1335-E1349 PolarHBondContact OH-O 2.74Å; I1341-E1349 HydrophobicContact CG2-CB 3.8Å; I1341-E1349 HydrophobicContact CG2-CG 4.48Å; Q1343-E1349 HydrophobicContact CB-CG 4.24Å; Q1343-E1349 HydrophobicContact CG-CG 4.05Å; Q1343-E1349 PolarHBondContact NE2-OE1 3.48Å |
| 1350 | F | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 160.1 | -176.7 | -53 | -86.2 | 0 | 0 | 0 | 109.7 | M1329 I1330 Y1335 I1341 R1342 M1344 H1348 A1352 V1355 P1366 L1367 | M1329-F1350 HydrophobicContact CB-CE1 4.13Å; I1330-F1350 HydrophobicContact CD1-CB 4.04Å; I1330-F1350 HydrophobicContact CD1-CD1 3.54Å; I1330-F1350 HydrophobicContact CD1-CE1 4.14Å; I1330-F1350 HydrophobicContact CD1-CG 3.86Å; I1330-F1350 HydrophobicContact CG1-CD1 3.61Å; I1330-F1350 HydrophobicContact CG1-CE1 3.96Å; I1330-F1350 HydrophobicContact CG1-CG 4.43Å; Y1335-F1350 WeakPolarHBondContact OH-CA 3.29Å; Y1335-F1350 PolarHBondContact OH-N 3.49Å; I1341-F1350 CarbonylContact C-O 3.37Å; I1341-F1350 VanDerWaalsContact CA-O 3.27Å; I1341-F1350 WeakPolarHBondContact CA-O 3.38Å; I1341-F1350 WeakPolarHBondContact CG2-O 3.5Å; R1342-F1350 PolarHBondContact N-O 2.97Å; R1342-F1350 PolarHBondContact O-N 2.83Å; M1344-F1350 HydrophobicContact CG-CD2 4.06Å; M1344-F1350 HydrophobicContact CG-CE2 3.8Å; H1348-F1350 HydrophobicContact CB-CE2 3.93Å; H1348-F1350 HydrophobicContact CB-CZ 4.24Å; F1350-A1352 PolarHBondContact O-N 3.37Å; F1350-V1355 HydrophobicContact CB-CB 3.77Å; F1350-V1355 HydrophobicContact CB-CG1 4.1Å; F1350-V1355 HydrophobicContact CB-CG2 4.43Å; F1350-V1355 HydrophobicContact CD2-CB 4.13Å; F1350-V1355 HydrophobicContact CD2-CG2 3.84Å; F1350-V1355 HydrophobicContact CE2-CG2 4.38Å; F1350-V1355 HydrophobicContact CG-CB 4.08Å; F1350-V1355 HydrophobicContact CG-CG2 4.22Å; F1350-P1366 HydrophobicContact CE1-CB 4.08Å; F1350-P1366 HydrophobicContact CE1-CG 4.05Å; F1350-P1366 HydrophobicContact CE2-CG 4.42Å; F1350-P1366 HydrophobicContact CZ-CB 4.04Å; F1350-P1366 HydrophobicContact CZ-CG 3.89Å; F1350-L1367 HydrophobicContact CE1-CD1 3.75Å; F1350-L1367 HydrophobicContact CE1-CG 3.95Å; F1350-L1367 HydrophobicContact CZ-CB 4.31Å; F1350-L1367 HydrophobicContact CZ-CD1 3.64Å; F1350-L1367 HydrophobicContact CZ-CG 3.82Å |
| 1351 | H | 95.7 | Very high | 92.9 | Very high | 14 Ų | 14 | 46.3 Ų | 46.3 | 7% | 0.065 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 133.2 | 162.8 | -58.5 | 120.5 | 0 | 0 | 0 | 109.8 | C1328 C1331 Y1335 Q1339 Q1340 S1353 C1354 V1355 | C1328-H1351 WeakPolarHBondContact CB-CE1 3.47Å; C1328-H1351 WeakPolarHBondContact CB-ND1 3.4Å; C1328-H1351 PolarHBondContact SG-N 3.05Å; C1328-H1351 VanDerWaalsContact SG-N 3.37Å; C1328-H1351 PolarHBondContact SG-ND1 2.78Å; C1331-H1351 PolarHBondContact SG-ND1 3.27Å; C1331-H1351 VanDerWaalsContact SG-ND1 3.43Å; Y1335-H1351 AromaticContact CD1-CD2 3.79Å; Y1335-H1351 AromaticContact CD1-NE2 3.55Å; Q1339-H1351 PolarHBondContact OE1-CD2 2.94Å; Q1339-H1351 PolarHBondContact OE1-NE2 2.93Å; Q1340-H1351 WeakPolarHBondContact O-CA 3.45Å; H1351-S1353 VanDerWaalsContact C-N 3.28Å; H1351-S1353 PolarHBondContact O-N 3.33Å; H1351-C1354 HydrophobicContact CB-CB 4.07Å; H1351-C1354 PolarHBondContact O-N 2.64Å; H1351-V1355 PolarHBondContact O-N 3.41Å |
| 1352 | A | 94.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.1 | -47.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q1340 R1342 F1350 C1354 V1355 D1356 | Q1340-A1352 HydrophobicContact CB-CB 4.15Å; Q1340-A1352 PolarHBondContact O-N 2.98Å; R1342-A1352 HydrophobicContact CB-CB 4.12Å; F1350-A1352 PolarHBondContact O-N 3.37Å; A1352-C1354 PolarHBondContact O-N 3Å; A1352-V1355 PolarHBondContact O-N 3.28Å; A1352-D1356 WeakPolarHBondContact O-CB 3.4Å; A1352-D1356 PolarHBondContact O-N 3.41Å |
| 1353 | S | 94.4 | Very high | 92.5 | Very high | 75 Ų | 75 | 54.6 Ų | 54.6 | 52% | 0.524 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60 | -18.3 | 177.5 | 60.5 | 0 | 0 | 0 | 0 | 115.4 | H1351 K1357 | H1351-S1353 VanDerWaalsContact C-N 3.28Å; H1351-S1353 PolarHBondContact O-N 3.33Å; S1353-K1357 VanDerWaalsContact O-CD 3.25Å; S1353-K1357 WeakPolarHBondContact O-CD 3.38Å; S1353-K1357 WeakPolarHBondContact O-CE 3.33Å; S1353-K1357 WeakPolarHBondContact O-CG 3.47Å |
| 1354 | C | 95.5 | Very high | 92.5 | Very high | 18 Ų | 18 | 53.2 Ų | 53.2 | 12% | 0.122 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -95.7 | -48.3 | 177 | -70 | 0 | 0 | 0 | 0 | 111.6 | I1330 H1351 A1352 K1357 W1358 | I1330-C1354 HydrophobicContact CB-CB 3.97Å; I1330-C1354 HydrophobicContact CD1-CB 4.03Å; I1330-C1354 HydrophobicContact CG2-CB 3.87Å; H1351-C1354 HydrophobicContact CB-CB 4.07Å; H1351-C1354 PolarHBondContact O-N 2.64Å; A1352-C1354 PolarHBondContact O-N 3Å; C1354-K1357 PolarHBondContact O-N 3.45Å; C1354-W1358 PolarHBondContact O-N 3.24Å |
| 1355 | V | 94.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.6 | -28.7 | -179.4 | 73.8 | 0 | 0 | 0 | 0 | 112.5 | I1330 R1342 M1344 F1350 H1351 A1352 K1357 W1358 L1359 | I1330-V1355 HydrophobicContact CD1-CB 3.75Å; I1330-V1355 HydrophobicContact CD1-CG2 4.15Å; R1342-V1355 HydrophobicContact CB-CG1 3.83Å; R1342-V1355 HydrophobicContact CG-CG1 4.36Å; M1344-V1355 HydrophobicContact SD-CG2 3.88Å; F1350-V1355 HydrophobicContact CB-CB 3.77Å; F1350-V1355 HydrophobicContact CB-CG1 4.1Å; F1350-V1355 HydrophobicContact CB-CG2 4.43Å; F1350-V1355 HydrophobicContact CD2-CB 4.13Å; F1350-V1355 HydrophobicContact CD2-CG2 3.84Å; F1350-V1355 HydrophobicContact CE2-CG2 4.38Å; F1350-V1355 HydrophobicContact CG-CB 4.08Å; F1350-V1355 HydrophobicContact CG-CG2 4.22Å; H1351-V1355 PolarHBondContact O-N 3.41Å; A1352-V1355 PolarHBondContact O-N 3.28Å; V1355-K1357 VanDerWaalsContact C-N 3.27Å; V1355-K1357 PolarHBondContact O-N 3.41Å; V1355-W1358 WeakPolarHBondContact O-CB 3.42Å; V1355-W1358 PolarHBondContact O-N 3.38Å; V1355-W1358 VanDerWaalsContact O-N 3.1Å; V1355-L1359 HydrophobicContact CG2-CD1 3.87Å; V1355-L1359 HydrophobicContact CG2-CG 4Å; V1355-L1359 WeakPolarHBondContact O-CB 3.36Å; V1355-L1359 WeakPolarHBondContact O-CG 3.49Å; V1355-L1359 PolarHBondContact O-N 3.2Å |
| 1356 | D | 93.8 | Very high | 92.8 | Very high | 30 Ų | 30 | 48.9 Ų | 48.9 | 16% | 0.16 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.6 | -32.6 | 174.7 | -72.2 | 15.9 | 0 | 0 | 0 | 112.5 | L1285 R1342 A1352 K1360 | L1285-D1356 HydrophobicContact CD1-CB 4.49Å; L1285-D1356 HydrophobicContact CD2-CB 3.94Å; R1342-D1356 IonicContact CZ-OD1 2.7Å; R1342-D1356 VanDerWaalsContact CZ-OD1 3.24Å; R1342-D1356 IonicContact CZ-OD2 2.71Å; R1342-D1356 IonicContact NE-OD1 2.85Å; R1342-D1356 PolarHBondContact NE-OD1 3.4Å; R1342-D1356 VanDerWaalsContact NH2-CG 3.28Å; R1342-D1356 IonicContact NH2-OD1 3.87Å; R1342-D1356 PolarHBondContact NH2-OD1 2.91Å; R1342-D1356 IonicContact NH2-OD2 2.65Å; R1342-D1356 PolarHBondContact NH2-OD2 2.95Å; A1352-D1356 WeakPolarHBondContact O-CB 3.4Å; A1352-D1356 PolarHBondContact O-N 3.41Å; D1356-K1360 VanDerWaalsContact O-CD 3.3Å; D1356-K1360 WeakPolarHBondContact O-CD 3.47Å; D1356-K1360 WeakPolarHBondContact O-CG 3.33Å; D1356-K1360 PolarHBondContact O-N 3.35Å |
| 1357 | K | 93.7 | Very high | 92.8 | Very high | 148 Ų | 148 | 51.8 Ų | 51.8 | 64% | 0.643 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -68.8 | -40.2 | 173.7 | -66.6 | 169.6 | -175.7 | 164.4 | 0 | 110.9 | S1353 C1354 V1355 | S1353-K1357 VanDerWaalsContact O-CD 3.25Å; S1353-K1357 WeakPolarHBondContact O-CD 3.38Å; S1353-K1357 WeakPolarHBondContact O-CE 3.33Å; S1353-K1357 WeakPolarHBondContact O-CG 3.47Å; C1354-K1357 PolarHBondContact O-N 3.45Å; V1355-K1357 VanDerWaalsContact C-N 3.27Å; V1355-K1357 PolarHBondContact O-N 3.41Å |
| 1358 | W | 92.9 | Very high | 92.9 | Very high | 86 Ų | 86 | 48.2 Ų | 48.2 | 33% | 0.326 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -69.3 | -46.7 | 177.7 | 176.9 | -84 | 0 | 0 | 0 | 112.1 | C1354 V1355 K1360 T1361 K1362 T1364 P1366 | C1354-W1358 PolarHBondContact O-N 3.24Å; V1355-W1358 WeakPolarHBondContact O-CB 3.42Å; V1355-W1358 PolarHBondContact O-N 3.38Å; V1355-W1358 VanDerWaalsContact O-N 3.1Å; W1358-K1360 VanDerWaalsContact C-N 3.27Å; W1358-K1360 PolarHBondContact O-N 3.49Å; W1358-T1361 CarbonylContact O-C 2.97Å; W1358-T1361 WeakPolarHBondContact O-CA 3.47Å; W1358-T1361 PolarHBondContact O-N 3.49Å; W1358-K1362 HydrophobicContact CH2-CD 4.15Å; W1358-K1362 HydrophobicContact CZ2-CD 3.77Å; W1358-K1362 PolarHBondContact O-N 3.4Å; W1358-T1364 PolarHBondContact NE1-O 3.46Å; W1358-P1366 HydrophobicContact CD2-CG 3.97Å; W1358-P1366 HydrophobicContact CG-CG 3.88Å; W1358-P1366 HydrophobicContact CZ2-CB 4.45Å |
| 1359 | L | 92.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.3 | -27.3 | -176.6 | -69.6 | 171.9 | 0 | 0 | 0 | 113 | G1279 L1280 L1285 L1288 M1344 V1355 T1361 K1362 A1372 | G1279-L1359 CarbonylContact C-O 3.55Å; G1279-L1359 WeakPolarHBondContact CA-O 3.3Å; L1280-L1359 HydrophobicContact CD1-CD2 4.21Å; L1280-L1359 PolarHBondContact N-O 3.29Å; L1285-L1359 HydrophobicContact CD1-CB 3.86Å; L1285-L1359 HydrophobicContact CD1-CD1 3.46Å; L1285-L1359 VanDerWaalsContact CD1-CD1 3.46Å; L1285-L1359 HydrophobicContact CD1-CG 4.32Å; L1288-L1359 HydrophobicContact CD1-CD1 3.79Å; M1344-L1359 HydrophobicContact CE-CD1 3.9Å; M1344-L1359 HydrophobicContact CE-CD2 3.9Å; M1344-L1359 HydrophobicContact CE-CG 4.49Å; M1344-L1359 HydrophobicContact SD-CD1 4.07Å; V1355-L1359 HydrophobicContact CG2-CD1 3.87Å; V1355-L1359 HydrophobicContact CG2-CG 4Å; V1355-L1359 WeakPolarHBondContact O-CB 3.36Å; V1355-L1359 WeakPolarHBondContact O-CG 3.49Å; V1355-L1359 PolarHBondContact O-N 3.2Å; L1359-T1361 PolarHBondContact O-N 3.16Å; L1359-K1362 WeakPolarHBondContact CA-O 3.32Å; L1359-A1372 HydrophobicContact CD2-CB 3.58Å |
| 1360 | K | 90.1 | Very high | 92.5 | Very high | 134 Ų | 134 | 53.7 Ų | 53.7 | 58% | 0.583 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -11.5 | 169 | -74.2 | 169 | -173.2 | 177.3 | 0 | 114.1 | L1285 D1356 W1358 | L1285-K1360 HydrophobicContact CD2-CG 4.29Å; D1356-K1360 VanDerWaalsContact O-CD 3.3Å; D1356-K1360 WeakPolarHBondContact O-CD 3.47Å; D1356-K1360 WeakPolarHBondContact O-CG 3.33Å; D1356-K1360 PolarHBondContact O-N 3.35Å; W1358-K1360 VanDerWaalsContact C-N 3.27Å; W1358-K1360 PolarHBondContact O-N 3.49Å |
| 1361 | T | 88.2 | Confident | 92.1 | Very high | 87 Ų | 87 | 54.6 Ų | 54.6 | 53% | 0.534 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -29.8 | 177.3 | -50.6 | 0 | 0 | 0 | 0 | 113.2 | G1277 W1358 L1359 | G1277-T1361 CarbonylContact C-O 3.51Å; W1358-T1361 CarbonylContact O-C 2.97Å; W1358-T1361 WeakPolarHBondContact O-CA 3.47Å; W1358-T1361 PolarHBondContact O-N 3.49Å; L1359-T1361 PolarHBondContact O-N 3.16Å |
| 1362 | K | 89.7 | Confident | 91.6 | Very high | 90 Ų | 90 | 53.9 Ų | 53.9 | 39% | 0.391 | 26% | 0.26 | S | S | . | . | | | trans | -145.2 | 126.1 | -177.4 | -67.3 | 178.9 | -178.5 | 172.5 | 0 | 111.2 | W1358 L1359 T1364 | W1358-K1362 HydrophobicContact CH2-CD 4.15Å; W1358-K1362 HydrophobicContact CZ2-CD 3.77Å; W1358-K1362 PolarHBondContact O-N 3.4Å; L1359-K1362 WeakPolarHBondContact CA-O 3.32Å; K1362-T1364 PolarHBondContact O-N 2.97Å |
| 1363 | R | 90.6 | Very high | 90.7 | Very high | 87 Ų | 87 | 57.5 Ų | 57.5 | 33% | 0.328 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -70.6 | 11.4 | 178.3 | 71.2 | 173.3 | 176.8 | 141.2 | -18.7 | 116.6 | E1273 N1276 L1280 D1371 A1372 | E1273-R1363 PolarHBondContact O-NH2 3.43Å; N1276-R1363 VanDerWaalsContact OD1-CZ 3.23Å; N1276-R1363 PolarHBondContact OD1-NE 2.98Å; N1276-R1363 PolarHBondContact OD1-NH2 3.46Å; L1280-R1363 VanDerWaalsContact CD1-CA 3.48Å; L1280-R1363 HydrophobicContact CD1-CB 3.53Å; R1363-D1371 WeakPolarHBondContact CD-OD2 3.44Å; R1363-D1371 IonicContact CZ-OD2 3.64Å; R1363-D1371 IonicContact NE-OD2 3.24Å; R1363-D1371 IonicContact NH1-OD2 3.81Å; R1363-D1371 PolarHBondContact NH1-OD2 2.92Å; R1363-A1372 VanDerWaalsContact O-CB 3.31Å; R1363-A1372 WeakPolarHBondContact O-CB 2.98Å; R1363-A1372 PolarHBondContact O-N 3.44Å |
| 1364 | T | 92.4 | Very high | 89.9 | Confident | 30 Ų | 30 | 57.9 Ų | 57.9 | 18% | 0.184 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -116.3 | 146.3 | -172.5 | 54.3 | 0 | 0 | 0 | 0 | 112.7 | W1358 K1362 R1369 A1370 | W1358-T1364 PolarHBondContact NE1-O 3.46Å; K1362-T1364 PolarHBondContact O-N 2.97Å; T1364-R1369 WeakPolarHBondContact CB-O 3.3Å; T1364-R1369 WeakPolarHBondContact CG2-O 3.47Å; T1364-A1370 CarbonylContact C-O 3.59Å; T1364-A1370 VanDerWaalsContact CA-O 3.32Å; T1364-A1370 WeakPolarHBondContact CA-O 3.48Å |
| 1365 | C | 93.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.279 | C | S | . | . | | | trans | -60.4 | 131.6 | 176.2 | 177.5 | 0 | 0 | 0 | 0 | 111.4 | C1346 L1367 R1369 A1370 | C1346-C1365 VanDerWaalsContact SG-SG 3.62Å; C1365-L1367 PolarHBondContact O-N 3.1Å; C1365-R1369 VanDerWaalsContact O-CA 3.23Å; C1365-R1369 WeakPolarHBondContact O-CA 3.39Å; C1365-R1369 PolarHBondContact O-N 2.88Å; C1365-A1370 PolarHBondContact N-O 2.88Å |
| 1366 | P | 92.9 | Very high | 87.1 | Confident | 33 Ų | 33 | 61.5 Ų | 61.5 | 21% | 0.214 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -36 | 177.4 | -26.2 | 31.7 | 0 | 0 | 0 | 114.6 | I1330 F1350 W1358 | I1330-P1366 HydrophobicContact CD1-CG 4Å; I1330-P1366 HydrophobicContact CG1-CB 4.42Å; I1330-P1366 HydrophobicContact CG1-CG 4.15Å; F1350-P1366 HydrophobicContact CE1-CB 4.08Å; F1350-P1366 HydrophobicContact CE1-CG 4.05Å; F1350-P1366 HydrophobicContact CE2-CG 4.42Å; F1350-P1366 HydrophobicContact CZ-CB 4.04Å; F1350-P1366 HydrophobicContact CZ-CG 3.89Å; W1358-P1366 HydrophobicContact CD2-CG 3.97Å; W1358-P1366 HydrophobicContact CG-CG 3.88Å; W1358-P1366 HydrophobicContact CZ2-CB 4.45Å |
| 1367 | L | 91.3 | Very high | 85.2 | Confident | 76 Ų | 76 | 64.2 Ų | 64.2 | 40% | 0.398 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -58.4 | -174.5 | -74.2 | 169.3 | 0 | 0 | 0 | 112.8 | M1329 H1348 F1350 C1365 | M1329-L1367 HydrophobicContact CB-CD1 3.92Å; M1329-L1367 HydrophobicContact CB-CD2 3.83Å; M1329-L1367 HydrophobicContact CB-CG 4.13Å; M1329-L1367 HydrophobicContact CE-CD2 4.13Å; M1329-L1367 HydrophobicContact CG-CD1 3.95Å; M1329-L1367 HydrophobicContact CG-CD2 4.08Å; H1348-L1367 HydrophobicContact CB-CD1 4.35Å; F1350-L1367 HydrophobicContact CE1-CD1 3.75Å; F1350-L1367 HydrophobicContact CE1-CG 3.95Å; F1350-L1367 HydrophobicContact CZ-CB 4.31Å; F1350-L1367 HydrophobicContact CZ-CD1 3.64Å; F1350-L1367 HydrophobicContact CZ-CG 3.82Å; C1365-L1367 PolarHBondContact O-N 3.1Å |
| 1368 | C | 92.9 | Very high | 83.2 | Confident | 39 Ų | 39 | 62.9 Ų | 62.9 | 26% | 0.264 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -1.4 | -172.9 | 66.9 | 0 | 0 | 0 | 0 | 115.1 | C1346 H1348 A1370 | C1346-C1368 PolarHBondContact SG-SG 2.79Å; H1348-C1368 VanDerWaalsContact CE1-SG 3.57Å; C1368-A1370 PolarHBondContact O-N 3.08Å |
| 1369 | R | 89.5 | Confident | 81.1 | Confident | 177 Ų | 177 | 65.8 Ų | 65.8 | 67% | 0.668 | 33% | 0.326 | S | S | * | . | | | trans | 57.7 | 3.5 | -178.1 | -54.1 | -177.7 | -176.3 | -179.9 | 2.2 | 116.6 | T1364 C1365 | T1364-R1369 WeakPolarHBondContact CB-O 3.3Å; T1364-R1369 WeakPolarHBondContact CG2-O 3.47Å; C1365-R1369 VanDerWaalsContact O-CA 3.23Å; C1365-R1369 WeakPolarHBondContact O-CA 3.39Å; C1365-R1369 PolarHBondContact O-N 2.88Å |
| 1370 | A | 88.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 36% | 0.362 | C | S | . | . | | | trans | -52.7 | 147.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | C1346 T1364 C1365 C1368 S1376 Q1377 | C1346-A1370 HydrophobicContact CB-CB 3.88Å; T1364-A1370 CarbonylContact C-O 3.59Å; T1364-A1370 VanDerWaalsContact CA-O 3.32Å; T1364-A1370 WeakPolarHBondContact CA-O 3.48Å; C1365-A1370 PolarHBondContact N-O 2.88Å; C1368-A1370 PolarHBondContact O-N 3.08Å; A1370-S1376 WeakPolarHBondContact CA-O 3.27Å; A1370-S1376 WeakPolarHBondContact CB-O 3.32Å; A1370-Q1377 HydrophobicContact CB-CG 4.04Å |
| 1371 | D | 87.5 | Confident | 76.8 | Confident | 19 Ų | 19 | 72 Ų | 72 | 10% | 0.102 | 37% | 0.365 | C | S | . | . | B | Isolated β-bridge | trans | -66.8 | 135.9 | 174.4 | 172 | -63.4 | 0 | 0 | 0 | 110.1 | R1363 F1373 T1374 G1375 S1376 | R1363-D1371 WeakPolarHBondContact CD-OD2 3.44Å; R1363-D1371 IonicContact CZ-OD2 3.64Å; R1363-D1371 IonicContact NE-OD2 3.24Å; R1363-D1371 IonicContact NH1-OD2 3.81Å; R1363-D1371 PolarHBondContact NH1-OD2 2.92Å; D1371-F1373 VanDerWaalsContact C-N 3.32Å; D1371-F1373 PolarHBondContact O-N 3.22Å; D1371-F1373 PolarHBondContact OD1-N 3.04Å; D1371-T1374 WeakPolarHBondContact CB-OG1 3.42Å; D1371-T1374 PolarHBondContact OD1-N 2.86Å; D1371-T1374 PolarHBondContact OD1-OG1 3.39Å; D1371-G1375 WeakPolarHBondContact O-CA 3.28Å; D1371-G1375 PolarHBondContact O-N 2.93Å; D1371-S1376 PolarHBondContact N-O 3.23Å |
| 1372 | A | 83.5 | Confident | 74.6 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -34.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1280 L1288 M1344 L1359 R1363 | L1280-A1372 HydrophobicContact CD1-CB 4.11Å; L1280-A1372 HydrophobicContact CD2-CB 4.2Å; L1288-A1372 WeakPolarHBondContact CD2-O 3.36Å; M1344-A1372 HydrophobicContact CE-CB 3.32Å; L1359-A1372 HydrophobicContact CD2-CB 3.58Å; R1363-A1372 VanDerWaalsContact O-CB 3.31Å; R1363-A1372 WeakPolarHBondContact O-CB 2.98Å; R1363-A1372 PolarHBondContact O-N 3.44Å |
| 1373 | F | 77.4 | Confident | 72 | Confident | 79 Ų | 79 | 83.5 Ų | 83.5 | 35% | 0.346 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -27.4 | -169.7 | -169.8 | -90.4 | 0 | 0 | 0 | 112.8 | E1284 S1287 R1345 D1371 | E1284-F1373 HydrophobicContact CB-CD2 4.31Å; E1284-F1373 HydrophobicContact CG-CD2 4.48Å; E1284-F1373 HydrophobicContact CG-CE2 4.46Å; S1287-F1373 WeakPolarHBondContact OG-CE2 3.25Å; R1345-F1373 WeakPolarHBondContact CD-O 3.4Å; R1345-F1373 PolarHBondContact NE-O 3.49Å; R1345-F1373 PolarHBondContact NH1-O 3.42Å; D1371-F1373 VanDerWaalsContact C-N 3.32Å; D1371-F1373 PolarHBondContact O-N 3.22Å; D1371-F1373 PolarHBondContact OD1-N 3.04Å |
| 1374 | T | 77.5 | Confident | 71 | Confident | 83 Ų | 83 | 83.3 Ų | 83.3 | 51% | 0.509 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -30.4 | 170.1 | 62.2 | 0 | 0 | 0 | 0 | 112.2 | D1371 S1376 | D1371-T1374 WeakPolarHBondContact CB-OG1 3.42Å; D1371-T1374 PolarHBondContact OD1-N 2.86Å; D1371-T1374 PolarHBondContact OD1-OG1 3.39Å; T1374-S1376 PolarHBondContact O-N 3.1Å; T1374-S1376 PolarHBondContact OG1-N 2.78Å; T1374-S1376 PolarHBondContact OG1-OG 2.83Å |
| 1375 | G | 68.9 | Low | 69.9 | Low | 21 Ų | 21 | 86.1 Ų | 86.1 | 22% | 0.216 | 42% | 0.42 | C | S | . | . | | | trans | 72 | -2.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D1371 Q1377 | D1371-G1375 WeakPolarHBondContact O-CA 3.28Å; D1371-G1375 PolarHBondContact O-N 2.93Å; G1375-Q1377 PolarHBondContact O-N 3.33Å |
| 1376 | S | 62.5 | Low | 68.6 | Low | 73 Ų | 73 | 90.9 Ų | 90.9 | 51% | 0.51 | 44% | 0.443 | S | S | . | . | | | trans | -69.1 | 124.8 | 177 | 59.6 | 0 | 0 | 0 | 0 | 109.9 | A1370 D1371 T1374 H1378 | A1370-S1376 WeakPolarHBondContact CA-O 3.27Å; A1370-S1376 WeakPolarHBondContact CB-O 3.32Å; D1371-S1376 PolarHBondContact N-O 3.23Å; T1374-S1376 PolarHBondContact O-N 3.1Å; T1374-S1376 PolarHBondContact OG1-N 2.78Å; T1374-S1376 PolarHBondContact OG1-OG 2.83Å; S1376-H1378 PolarHBondContact O-N 3.01Å |
| 1377 | Q | 53.3 | Low | 67.1 | Low | 86 Ų | 86 | 94.3 Ų | 94.3 | 40% | 0.402 | 46% | 0.457 | S | S | . | . | | | trans | -65.6 | 131.8 | 163.6 | -72.7 | 179 | -10.5 | 0 | 0 | 107.5 | A1370 G1375 K1379 | A1370-Q1377 HydrophobicContact CB-CG 4.04Å; G1375-Q1377 PolarHBondContact O-N 3.33Å; Q1377-K1379 HydrophobicContact CB-CB 4.17Å; Q1377-K1379 HydrophobicContact CB-CD 4.21Å; Q1377-K1379 HydrophobicContact CB-CG 4.45Å; Q1377-K1379 PolarHBondContact O-N 3.38Å |
| 1378 | H | 50.8 | Low | 65.6 | Low | 120 Ų | 120 | 95.4 Ų | 95.4 | 56% | 0.556 | 46% | 0.461 | S | S | * | . | | | trans | -75.2 | 64.6 | 175.6 | -155.7 | -76.3 | 0 | 0 | 0 | 109.1 | S1376 D1381 | S1376-H1378 PolarHBondContact O-N 3.01Å; H1378-D1381 IonicContact CE1-OD2 3.52Å; H1378-D1381 PolarHBondContact CE1-OD2 3.28Å; H1378-D1381 IonicContact ND1-OD2 2.73Å; H1378-D1381 IonicContact NE2-OD2 3.98Å |
| 1379 | K | 48.5 | Very low | 63.8 | Low | 147 Ų | 147 | 99.2 Ų | 99.2 | 64% | 0.639 | 47% | 0.474 | S | S | * | . | | | trans | -89.4 | -12.2 | -155.6 | -147.8 | 165.3 | -172.2 | 158.8 | 0 | 113.9 | Q1377 | Q1377-K1379 HydrophobicContact CB-CB 4.17Å; Q1377-K1379 HydrophobicContact CB-CD 4.21Å; Q1377-K1379 HydrophobicContact CB-CG 4.45Å; Q1377-K1379 PolarHBondContact O-N 3.38Å |
| 1380 | D | 46.5 | Very low | 62 | Low | 142 Ų | 142 | 93.6 Ų | 93.6 | 76% | 0.759 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -113.3 | -15.3 | -164.1 | -52.7 | -53.5 | 0 | 0 | 0 | 113.7 | Y1382 | D1380-Y1382 PolarHBondContact O-N 3.34Š|
| 1381 | D | 47.9 | Very low | 60 | Low | 122 Ų | 122 | 100.8 Ų | 100.8 | 65% | 0.652 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -98.4 | 30.1 | -177.8 | -68 | 5.3 | 0 | 0 | 0 | 113.6 | H1378 | H1378-D1381 IonicContact CE1-OD2 3.52Å; H1378-D1381 PolarHBondContact CE1-OD2 3.28Å; H1378-D1381 IonicContact ND1-OD2 2.73Å; H1378-D1381 IonicContact NE2-OD2 3.98Å |
| 1382 | Y | 42 | Very low | 57.7 | Low | 197 Ų | 197 | 107.7 Ų | 107.7 | 77% | 0.773 | 53% | 0.528 | S | S | * | . | | | trans | -123.3 | 61.1 | 173.7 | -111.7 | -98.9 | 0 | 0 | 0 | 110.7 | D1380 | D1380-Y1382 PolarHBondContact O-N 3.34Š|
| 1383 | F | 33.4 | Very low | 55.3 | Low | 222 Ų | 222 | 117.5 Ų | 117.5 | 97% | 0.974 | 58% | 0.576 | S | S | * | * | | | trans | -148.4 | 0 | 172.6 | -120.8 | -74.8 | 0 | 0 | 0 | 113.3 | | |